| 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 | 25.2 | Very low | 37 | Very low | 217 Ų | 217 | 111.6 Ų | 111.6 | 100% | 1.069 | 59% | 0.589 | S | S | * | * | 0 | 140.8 | 0 | -66.6 | -165.7 | 176.2 | 0 | 0 | 108.1 | E3 | M1-E3 PolarHBondContact O-N 3.42Š| |||
| 2 | P | 26.7 | Very low | 37.9 | Very low | 125 Ų | 125 | 105.8 Ų | 105.8 | 81% | 0.812 | 56% | 0.561 | S | S | * | * | trans | -61.2 | 132.4 | 165.1 | 0.3 | 13.5 | 0 | 0 | 0 | 107.4 | K4 | P2-K4 PolarHBondContact O-N 3.43Š| ||
| 3 | E | 25.7 | Very low | 38.7 | Very low | 153 Ų | 153 | 108.7 Ų | 108.7 | 72% | 0.715 | 57% | 0.569 | S | S | * | * | trans | -42.7 | 124.2 | 176.7 | -68 | 175.5 | 155.7 | 0 | 0 | 110 | M1 K5 | M1-E3 PolarHBondContact O-N 3.42Å; E3-K5 HydrophobicContact CB-CG 4.29Å; E3-K5 PolarHBondContact O-N 3.09Å; E3-K5 WeakPolarHBondContact OE2-CE 3.26Å; E3-K5 IonicContact OE2-NZ 2.81Å | ||
| 4 | K | 32 | Very low | 39.9 | Very low | 154 Ų | 154 | 107.6 Ų | 107.6 | 67% | 0.67 | 56% | 0.56 | S | S | * | * | trans | -64.9 | 69.2 | 168.9 | -71.1 | -179.1 | -180 | 173.3 | 0 | 108.2 | P2 G6 | P2-K4 PolarHBondContact O-N 3.43Å; K4-G6 PolarHBondContact O-N 3.39Å | ||
| 5 | K | 32.1 | Very low | 41.1 | Very low | 169 Ų | 169 | 102.1 Ų | 102.1 | 74% | 0.735 | 53% | 0.531 | S | S | * | . | trans | -61.8 | 111.6 | 170.2 | -75.7 | -174.9 | 178.1 | 178.6 | 0 | 106.4 | E3 | E3-K5 HydrophobicContact CB-CG 4.29Å; E3-K5 PolarHBondContact O-N 3.09Å; E3-K5 WeakPolarHBondContact OE2-CE 3.26Å; E3-K5 IonicContact OE2-NZ 2.81Å | ||
| 6 | G | 37.3 | Very low | 42.1 | Very low | 59 Ų | 59 | 102 Ų | 102 | 61% | 0.608 | 54% | 0.536 | S | S | * | . | trans | -48.7 | 141.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | K4 S8 | K4-G6 PolarHBondContact O-N 3.39Å; G6-S8 PolarHBondContact O-N 3.33Å | ||
| 7 | R | 43.5 | Very low | 43.6 | Very low | 122 Ų | 122 | 103.6 Ų | 103.6 | 46% | 0.46 | 54% | 0.54 | S | S | . | . | trans | -51.9 | 99.4 | 179.2 | -68.9 | 177.8 | 177 | 175.7 | -0.9 | 110.1 | I9 G488 D490 | R7-I9 PolarHBondContact O-N 2.96Å; R7-G488 PolarHBondContact NH1-O 3.17Å; R7-G488 PolarHBondContact NH2-O 3.45Å; R7-D490 IonicContact NH2-OD1 2.74Å; R7-D490 PolarHBondContact NH2-OD1 3.25Å; R7-D490 IonicContact NH2-OD2 3.91Å; R7-D490 PolarHBondContact NH2-OD2 3.26Å | ||
| 8 | S | 43 | Very low | 45.6 | Very low | 99 Ų | 99 | 99.2 Ų | 99.2 | 69% | 0.692 | 52% | 0.517 | S | S | * | . | trans | -74.3 | 107.6 | 167.4 | 62.4 | 0 | 0 | 0 | 0 | 107.9 | G6 | G6-S8 PolarHBondContact O-N 3.33Š| ||
| 9 | I | 46.1 | Very low | 47.6 | Very low | 80 Ų | 80 | 99.9 Ų | 99.9 | 41% | 0.41 | 52% | 0.516 | S | S | . | . | P | Polyproline II helix | trans | -65.8 | 130 | 171.5 | -60.1 | 170.7 | 0 | 0 | 0 | 107.3 | R7 M62 A1307 | R7-I9 PolarHBondContact O-N 2.96Å; I9-M62 HydrophobicContact CG1-CE 4.19Å; I9-M62 HydrophobicContact CG2-SD 4.02Å; I9-A1307 HydrophobicContact CB-CB 4.04Å; I9-A1307 HydrophobicContact CD1-CB 3.62Å; I9-A1307 HydrophobicContact CG1-CB 4.43Å; I9-A1307 HydrophobicContact CG2-CB 3.82Å |
| 10 | P | 48 | Very low | 49.5 | Very low | 5 Ų | 5 | 95.2 Ų | 95.2 | 3% | 0.032 | 49% | 0.492 | C | S | . | . | P | Polyproline II helix | trans | -62 | 139.2 | -179.1 | -6 | 13 | 0 | 0 | 0 | 111.6 | Q14 L15 R59 L63 | P10-Q14 VanDerWaalsContact CA-OE1 3.3Å; P10-Q14 HydrophobicContact CB-CB 4.05Å; P10-L15 HydrophobicContact CB-CD2 3.99Å; P10-L15 HydrophobicContact CB-CG 4.3Å; P10-L15 HydrophobicContact CG-CD2 4.14Å; P10-R59 HydrophobicContact CG-CG 4.3Å; P10-L63 HydrophobicContact CG-CD2 4.26Å |
| 11 | T | 47.1 | Very low | 51.1 | Low | 45 Ų | 45 | 91 Ų | 91 | 28% | 0.276 | 47% | 0.47 | S | S | . | . | P | Polyproline II helix | trans | -67.3 | 160.4 | 174.8 | 69.5 | 0 | 0 | 0 | 0 | 111.4 | Q13 Q14 L15 Q1306 | T11-Q13 PolarHBondContact O-N 3.23Å; T11-Q13 VanDerWaalsContact O-N 3.15Å; T11-Q14 CarbonylContact O-C 3.49Å; T11-Q14 WeakPolarHBondContact O-CA 3.32Å; T11-Q14 WeakPolarHBondContact O-CB 3.42Å; T11-Q14 PolarHBondContact O-N 3.22Å; T11-Q14 WeakPolarHBondContact OG1-CB 3.42Å; T11-Q14 VanDerWaalsContact OG1-CG 3.27Å; T11-Q14 WeakPolarHBondContact OG1-CG 3.41Å; T11-Q14 PolarHBondContact OG1-N 3.25Å; T11-Q14 VanDerWaalsContact OG1-N 3.12Å; T11-L15 WeakPolarHBondContact O-CG 3.38Å; T11-L15 PolarHBondContact O-N 3.42Å; T11-Q1306 HydrophobicContact CG2-CG 4.38Å |
| 12 | V | 47.9 | Very low | 54 | Low | 41 Ų | 41 | 86.6 Ų | 86.6 | 25% | 0.248 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -53.1 | -38 | 175.8 | 179.4 | 0 | 0 | 0 | 0 | 112.1 | L15 V16 L1336 | V12-L15 WeakPolarHBondContact O-CB 3.11Å; V12-L15 PolarHBondContact O-N 2.92Å; V12-V16 WeakPolarHBondContact O-CG2 3.33Å; V12-V16 PolarHBondContact O-N 3.43Å; V12-V16 VanDerWaalsContact O-N 3.14Å; V12-L1336 HydrophobicContact CG2-CD1 4.28Å |
| 13 | Q | 48.5 | Very low | 57 | Low | 144 Ų | 144 | 81.9 Ų | 81.9 | 67% | 0.673 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -70.5 | -42.2 | 177.1 | -161.9 | 165.2 | 6.7 | 0 | 0 | 112.1 | T11 L15 V16 E17 | T11-Q13 PolarHBondContact O-N 3.23Å; T11-Q13 VanDerWaalsContact O-N 3.15Å; Q13-L15 VanDerWaalsContact C-N 3.25Å; Q13-L15 PolarHBondContact O-N 2.97Å; Q13-V16 PolarHBondContact O-N 3.19Å; Q13-E17 PolarHBondContact O-N 2.98Å |
| 14 | Q | 55.1 | Low | 59.8 | Low | 93 Ų | 93 | 74.6 Ų | 74.6 | 44% | 0.435 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -62.5 | -32 | 172 | -72.2 | 172 | -10.6 | 0 | 0 | 112.3 | P10 T11 D18 | P10-Q14 VanDerWaalsContact CA-OE1 3.3Å; P10-Q14 HydrophobicContact CB-CB 4.05Å; T11-Q14 CarbonylContact O-C 3.49Å; T11-Q14 WeakPolarHBondContact O-CA 3.32Å; T11-Q14 WeakPolarHBondContact O-CB 3.42Å; T11-Q14 PolarHBondContact O-N 3.22Å; T11-Q14 WeakPolarHBondContact OG1-CB 3.42Å; T11-Q14 VanDerWaalsContact OG1-CG 3.27Å; T11-Q14 WeakPolarHBondContact OG1-CG 3.41Å; T11-Q14 PolarHBondContact OG1-N 3.25Å; T11-Q14 VanDerWaalsContact OG1-N 3.12Å; Q14-D18 WeakPolarHBondContact O-CB 3.45Å; Q14-D18 PolarHBondContact O-N 3.11Å |
| 15 | L | 57.7 | Low | 62.3 | Low | 26 Ų | 26 | 68.8 Ų | 68.8 | 14% | 0.136 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -65.7 | -46.9 | 175.2 | -69.5 | 174.7 | 0 | 0 | 0 | 111.3 | P10 T11 V12 Q13 E17 D18 I21 L63 F66 | P10-L15 HydrophobicContact CB-CD2 3.99Å; P10-L15 HydrophobicContact CB-CG 4.3Å; P10-L15 HydrophobicContact CG-CD2 4.14Å; T11-L15 WeakPolarHBondContact O-CG 3.38Å; T11-L15 PolarHBondContact O-N 3.42Å; V12-L15 WeakPolarHBondContact O-CB 3.11Å; V12-L15 PolarHBondContact O-N 2.92Å; Q13-L15 VanDerWaalsContact C-N 3.25Å; Q13-L15 PolarHBondContact O-N 2.97Å; L15-E17 VanDerWaalsContact C-N 3.27Å; L15-E17 PolarHBondContact O-N 3.48Å; L15-D18 WeakPolarHBondContact O-CB 3.32Å; L15-D18 PolarHBondContact O-N 3.21Å; L15-I21 WeakPolarHBondContact O-CB 3.42Å; L15-I21 VanDerWaalsContact O-CG1 3.26Å; L15-I21 WeakPolarHBondContact O-CG1 3.21Å; L15-I21 WeakPolarHBondContact O-CG2 3.44Å; L15-L63 HydrophobicContact CD2-CD2 3.15Å; L15-F66 HydrophobicContact CD1-CE1 4.4Å; L15-F66 HydrophobicContact CD1-CE2 4.47Å; L15-F66 HydrophobicContact CD1-CZ 4.19Å |
| 16 | V | 57.1 | Low | 65 | Low | 100 Ų | 100 | 65.7 Ų | 65.7 | 61% | 0.606 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -63.8 | -34.1 | -179.2 | 174 | 0 | 0 | 0 | 0 | 111.9 | V12 Q13 | V12-V16 WeakPolarHBondContact O-CG2 3.33Å; V12-V16 PolarHBondContact O-N 3.43Å; V12-V16 VanDerWaalsContact O-N 3.14Å; Q13-V16 PolarHBondContact O-N 3.19Å |
| 17 | E | 67.9 | Low | 67.6 | Low | 130 Ų | 130 | 64.2 Ų | 64.2 | 61% | 0.607 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -80.6 | -17.8 | 179.1 | -68.9 | 177.7 | -176.7 | 0 | 0 | 113.6 | Q13 L15 | Q13-E17 PolarHBondContact O-N 2.98Å; L15-E17 VanDerWaalsContact C-N 3.27Å; L15-E17 PolarHBondContact O-N 3.48Å |
| 18 | D | 79.2 | Confident | 69.7 | Low | 24 Ų | 24 | 58.6 Ų | 58.6 | 13% | 0.128 | 30% | 0.302 | C | S | . | . | trans | -66.2 | 133.9 | -174.5 | -161.5 | -68.7 | 0 | 0 | 0 | 112.1 | Q14 L15 L20 I21 K22 R59 L63 | Q14-D18 WeakPolarHBondContact O-CB 3.45Å; Q14-D18 PolarHBondContact O-N 3.11Å; L15-D18 WeakPolarHBondContact O-CB 3.32Å; L15-D18 PolarHBondContact O-N 3.21Å; D18-L20 VanDerWaalsContact C-N 3.28Å; D18-L20 PolarHBondContact O-N 3.46Å; D18-L20 WeakPolarHBondContact OD1-CB 3.3Å; D18-L20 PolarHBondContact OD1-N 3.12Å; D18-I21 HydrophobicContact CB-CB 4.4Å; D18-I21 HydrophobicContact CB-CG1 4.21Å; D18-I21 PolarHBondContact O-N 3.3Å; D18-I21 VanDerWaalsContact O-N 3.13Å; D18-K22 PolarHBondContact O-N 3.24Å; D18-K22 VanDerWaalsContact O-N 3.07Å; D18-R59 IonicContact OD2-CZ 3.28Å; D18-R59 IonicContact OD2-NH2 3.02Å; D18-R59 PolarHBondContact OD2-NH2 2.92Å; D18-L63 WeakPolarHBondContact OD2-CD1 3.29Å | ||
| 19 | K | 85 | Confident | 71.4 | Confident | 112 Ų | 112 | 53.9 Ų | 53.9 | 49% | 0.487 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -57.1 | -40.8 | -179.2 | -175 | -170.3 | 169.3 | -154.4 | 0 | 111.8 | I21 K22 V23 E50 | K19-I21 VanDerWaalsContact C-N 3.32Å; K19-I21 PolarHBondContact O-N 2.98Å; K19-K22 PolarHBondContact O-N 2.75Å; K19-V23 WeakPolarHBondContact O-CG2 3.25Å; K19-V23 PolarHBondContact O-N 2.8Å; K19-V23 VanDerWaalsContact O-N 3.08Å; K19-E50 IonicContact NZ-OE1 2.72Å |
| 20 | L | 85.3 | Confident | 72.3 | Confident | 6 Ų | 6 | 51.7 Ų | 51.7 | 3% | 0.031 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.4 | -39.4 | 179.4 | -86.4 | 166.1 | 0 | 0 | 0 | 111.6 | D18 V23 A24 I46 E50 Q60 L63 L64 | D18-L20 VanDerWaalsContact C-N 3.28Å; D18-L20 PolarHBondContact O-N 3.46Å; D18-L20 WeakPolarHBondContact OD1-CB 3.3Å; D18-L20 PolarHBondContact OD1-N 3.12Å; L20-V23 PolarHBondContact O-N 3Å; L20-A24 WeakPolarHBondContact O-CB 3.03Å; L20-A24 PolarHBondContact O-N 3.47Å; L20-I46 HydrophobicContact CD2-CG1 4.26Å; L20-I46 HydrophobicContact CD2-CG2 4.18Å; L20-E50 HydrophobicContact CD1-CB 4.17Å; L20-E50 HydrophobicContact CD1-CG 4.31Å; L20-E50 HydrophobicContact CD2-CB 4.06Å; L20-E50 HydrophobicContact CD2-CG 3.81Å; L20-E50 HydrophobicContact CG-CB 4.34Å; L20-E50 HydrophobicContact CG-CG 4Å; L20-Q60 HydrophobicContact CD1-CB 4.22Å; L20-Q60 HydrophobicContact CD1-CG 4.13Å; L20-L63 HydrophobicContact CD1-CB 4.26Å; L20-L63 HydrophobicContact CD1-CD1 4.01Å; L20-L64 HydrophobicContact CD2-CD2 3.78Å; L20-L64 HydrophobicContact CD2-CG 4.4Å |
| 21 | I | 82.4 | Confident | 73.1 | Confident | 6 Ų | 6 | 55.6 Ų | 55.6 | 3% | 0.031 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -71 | -35.4 | 179.2 | -65.6 | -60.6 | 0 | 0 | 0 | 111.5 | L15 D18 K19 A24 S25 F31 L63 F66 | L15-I21 WeakPolarHBondContact O-CB 3.42Å; L15-I21 VanDerWaalsContact O-CG1 3.26Å; L15-I21 WeakPolarHBondContact O-CG1 3.21Å; L15-I21 WeakPolarHBondContact O-CG2 3.44Å; D18-I21 HydrophobicContact CB-CB 4.4Å; D18-I21 HydrophobicContact CB-CG1 4.21Å; D18-I21 PolarHBondContact O-N 3.3Å; D18-I21 VanDerWaalsContact O-N 3.13Å; K19-I21 VanDerWaalsContact C-N 3.32Å; K19-I21 PolarHBondContact O-N 2.98Å; I21-A24 PolarHBondContact O-N 3.27Å; I21-S25 VanDerWaalsContact O-CB 3.32Å; I21-S25 WeakPolarHBondContact O-CB 3.42Å; I21-S25 PolarHBondContact O-N 3Å; I21-S25 PolarHBondContact O-OG 2.98Å; I21-F31 HydrophobicContact CG2-CE2 4.19Å; I21-F31 HydrophobicContact CG2-CZ 3.93Å; I21-L63 HydrophobicContact CD1-CD2 4.35Å; I21-L63 HydrophobicContact CG1-CD2 4.2Å; I21-F66 HydrophobicContact CD1-CD1 3.86Å; I21-F66 HydrophobicContact CD1-CE1 4.26Å |
| 22 | K | 86 | Confident | 74.1 | Confident | 125 Ų | 125 | 55.6 Ų | 55.6 | 54% | 0.543 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.3 | -45.2 | 171.6 | -68.8 | 177.8 | -177.2 | 172.7 | 0 | 111.8 | D18 K19 S25 Q26 | D18-K22 PolarHBondContact O-N 3.24Å; D18-K22 VanDerWaalsContact O-N 3.07Å; K19-K22 PolarHBondContact O-N 2.75Å; K22-S25 WeakPolarHBondContact O-CB 3.45Å; K22-S25 PolarHBondContact O-N 3.38Å; K22-Q26 PolarHBondContact O-N 3.19Å; K22-Q26 VanDerWaalsContact O-N 3.12Å |
| 23 | V | 89.6 | Confident | 75.2 | Confident | 27 Ų | 27 | 59.2 Ų | 59.2 | 16% | 0.164 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62 | -46.9 | 174.4 | 175.3 | 0 | 0 | 0 | 0 | 110.1 | K19 L20 S25 Q26 Y27 W28 V42 I46 | K19-V23 WeakPolarHBondContact O-CG2 3.25Å; K19-V23 PolarHBondContact O-N 2.8Å; K19-V23 VanDerWaalsContact O-N 3.08Å; L20-V23 PolarHBondContact O-N 3Å; V23-S25 VanDerWaalsContact C-N 3.31Å; V23-S25 PolarHBondContact O-N 2.87Å; V23-Q26 WeakPolarHBondContact O-CB 3.06Å; V23-Q26 PolarHBondContact O-N 2.91Å; V23-Q26 VanDerWaalsContact O-N 3.14Å; V23-Y27 HydrophobicContact CG1-CD2 3.96Å; V23-Y27 HydrophobicContact CG1-CE2 4.35Å; V23-Y27 WeakPolarHBondContact O-CD2 3.33Å; V23-Y27 PolarHBondContact O-N 3Å; V23-Y27 VanDerWaalsContact O-N 3.16Å; V23-W28 HydrophobicContact CG1-CH2 4.13Å; V23-W28 HydrophobicContact CG1-CZ3 3.99Å; V23-V42 HydrophobicContact CG1-CG1 3.83Å; V23-I46 HydrophobicContact CG1-CD1 4.28Å |
| 24 | A | 86 | Confident | 76.7 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -57 | -46.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | L20 I21 Q26 Y27 W28 A29 | L20-A24 WeakPolarHBondContact O-CB 3.03Å; L20-A24 PolarHBondContact O-N 3.47Å; I21-A24 PolarHBondContact O-N 3.27Å; A24-Q26 PolarHBondContact O-N 2.79Å; A24-Y27 PolarHBondContact O-N 2.91Å; A24-W28 HydrophobicContact CB-CD2 4.23Å; A24-W28 HydrophobicContact CB-CH2 3.9Å; A24-W28 HydrophobicContact CB-CZ2 3.38Å; A24-W28 PolarHBondContact O-N 2.96Å; A24-A29 VanDerWaalsContact C-CB 3.46Å; A24-A29 HydrophobicContact CB-CB 4Å; A24-A29 WeakPolarHBondContact O-CB 3.47Å; A24-A29 PolarHBondContact O-N 3.34Å |
| 25 | S | 84.3 | Confident | 78.2 | Confident | 32 Ų | 32 | 59.7 Ų | 59.7 | 22% | 0.224 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -56.7 | -36.3 | 178.8 | -60.2 | 0 | 0 | 0 | 0 | 112.6 | I21 K22 V23 F31 T32 | I21-S25 VanDerWaalsContact O-CB 3.32Å; I21-S25 WeakPolarHBondContact O-CB 3.42Å; I21-S25 PolarHBondContact O-N 3Å; I21-S25 PolarHBondContact O-OG 2.98Å; K22-S25 WeakPolarHBondContact O-CB 3.45Å; K22-S25 PolarHBondContact O-N 3.38Å; V23-S25 VanDerWaalsContact C-N 3.31Å; V23-S25 PolarHBondContact O-N 2.87Å; S25-F31 WeakPolarHBondContact OG-CE2 3.41Å; S25-T32 WeakPolarHBondContact O-CB 3.16Å; S25-T32 PolarHBondContact O-OG1 3.46Å |
| 26 | Q | 89 | Confident | 79.7 | Confident | 104 Ų | 104 | 60.3 Ų | 60.3 | 49% | 0.486 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -73.9 | -32 | 178 | -176.9 | 178.6 | 9.2 | 0 | 0 | 113.1 | K22 V23 A24 H35 A36 | K22-Q26 PolarHBondContact O-N 3.19Å; K22-Q26 VanDerWaalsContact O-N 3.12Å; V23-Q26 WeakPolarHBondContact O-CB 3.06Å; V23-Q26 PolarHBondContact O-N 2.91Å; V23-Q26 VanDerWaalsContact O-N 3.14Å; A24-Q26 PolarHBondContact O-N 2.79Å; Q26-H35 CarbonylContact O-C 3.58Å; Q26-H35 WeakPolarHBondContact O-CA 3.37Å; Q26-A36 HydrophobicContact CG-CB 4.37Å; Q26-A36 PolarHBondContact O-N 3.27Å |
| 27 | Y | 90.5 | Very high | 81.1 | Confident | 27 Ų | 27 | 58.2 Ų | 58.2 | 11% | 0.106 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -119.3 | -29.6 | -165.1 | -75.4 | -80.1 | 0 | 0 | 0 | 116 | V23 A24 H35 A36 K39 V42 F73 | V23-Y27 HydrophobicContact CG1-CD2 3.96Å; V23-Y27 HydrophobicContact CG1-CE2 4.35Å; V23-Y27 WeakPolarHBondContact O-CD2 3.33Å; V23-Y27 PolarHBondContact O-N 3Å; V23-Y27 VanDerWaalsContact O-N 3.16Å; A24-Y27 PolarHBondContact O-N 2.91Å; Y27-H35 WeakPolarHBondContact O-CB 3.41Å; Y27-A36 HydrophobicContact CD1-CB 3.84Å; Y27-A36 HydrophobicContact CE1-CB 3.77Å; Y27-K39 HydrophobicContact CE1-CB 4.47Å; Y27-K39 HydrophobicContact CE1-CD 4.17Å; Y27-K39 HydrophobicContact CE1-CG 4.37Å; Y27-V42 HydrophobicContact CD1-CG2 4.5Å; Y27-V42 HydrophobicContact CD2-CG1 4.23Å; Y27-V42 HydrophobicContact CD2-CG2 4.42Å; Y27-V42 HydrophobicContact CE1-CG2 3.89Å; Y27-V42 HydrophobicContact CE2-CG1 4.3Å; Y27-V42 HydrophobicContact CE2-CG2 3.82Å; Y27-F73 HydrophobicContact CD1-CE2 4.13Å; Y27-F73 HydrophobicContact CD1-CZ 4.25Å; Y27-F73 HydrophobicContact CG-CE2 4.23Å; Y27-F73 HydrophobicContact CG-CZ 4.34Å |
| 28 | W | 88.5 | Confident | 82.3 | Confident | 4 Ų | 4 | 55.2 Ų | 55.2 | 2% | 0.015 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -157.7 | -13.4 | -175.2 | 72 | 87.8 | 0 | 0 | 0 | 117 | V23 A24 V42 I46 L64 S67 Y69 R72 F73 | V23-W28 HydrophobicContact CG1-CH2 4.13Å; V23-W28 HydrophobicContact CG1-CZ3 3.99Å; A24-W28 HydrophobicContact CB-CD2 4.23Å; A24-W28 HydrophobicContact CB-CH2 3.9Å; A24-W28 HydrophobicContact CB-CZ2 3.38Å; A24-W28 PolarHBondContact O-N 2.96Å; W28-V42 HydrophobicContact CZ3-CG1 4.43Å; W28-I46 HydrophobicContact CH2-CD1 3.6Å; W28-I46 HydrophobicContact CZ3-CD1 4.02Å; W28-L64 HydrophobicContact CZ2-CD2 4.33Å; W28-S67 PolarHBondContact NE1-O 3.44Å; W28-S67 PolarHBondContact NE1-OG 3.13Å; W28-Y69 HydrophobicContact CD2-CD2 4.3Å; W28-Y69 AromaticContact CE2-CD2 3.75Å; W28-Y69 HydrophobicContact CE3-CD2 4.49Å; W28-Y69 AromaticContact CH2-CD2 3.83Å; W28-Y69 HydrophobicContact CH2-CD2 3.83Å; W28-Y69 AromaticContact CH2-CE2 3.96Å; W28-Y69 HydrophobicContact CH2-CE2 3.96Å; W28-Y69 AromaticContact CZ2-CD2 3.51Å; W28-Y69 HydrophobicContact CZ2-CD2 3.51Å; W28-Y69 HydrophobicContact CZ2-CE2 4.13Å; W28-Y69 HydrophobicContact CZ2-CG 4.25Å; W28-Y69 HydrophobicContact CZ3-CD2 4.29Å; W28-Y69 HydrophobicContact CZ3-CE2 4.24Å; W28-R72 HydrophobicContact CB-CB 4Å; W28-R72 HydrophobicContact CG-CB 4.46Å; W28-R72 WeakPolarHBondContact O-CD 3.17Å; W28-F73 HydrophobicContact CB-CB 3.85Å; W28-F73 HydrophobicContact CB-CD2 3.89Å; W28-F73 HydrophobicContact CB-CG 4.22Å; W28-F73 HydrophobicContact CD2-CB 3.75Å; W28-F73 HydrophobicContact CD2-CD1 4.48Å; W28-F73 HydrophobicContact CD2-CD2 4.16Å; W28-F73 AromaticContact CD2-CG 3.89Å; W28-F73 HydrophobicContact CD2-CG 3.89Å; W28-F73 HydrophobicContact CE3-CB 3.91Å; W28-F73 AromaticContact CE3-CD1 3.83Å; W28-F73 HydrophobicContact CE3-CD1 3.83Å; W28-F73 AromaticContact CE3-CD2 3.61Å; W28-F73 HydrophobicContact CE3-CD2 3.61Å; W28-F73 HydrophobicContact CE3-CE1 4.15Å; W28-F73 AromaticContact CE3-CE2 3.99Å; W28-F73 HydrophobicContact CE3-CE2 3.99Å; W28-F73 AromaticContact CE3-CG 3.5Å; W28-F73 HydrophobicContact CE3-CG 3.5Å; W28-F73 VanDerWaalsContact CE3-CG 3.5Å; W28-F73 HydrophobicContact CE3-CZ 4.22Å; W28-F73 HydrophobicContact CG-CB 3.7Å; W28-F73 HydrophobicContact CG-CD2 4.29Å; W28-F73 HydrophobicContact CG-CG 4.19Å; W28-F73 HydrophobicContact CZ3-CD1 4.09Å; W28-F73 HydrophobicContact CZ3-CE1 4.17Å; W28-F73 HydrophobicContact CZ3-CG 4.23Å; W28-F73 HydrophobicContact CZ3-CZ 4.45Å |
| 29 | A | 77.3 | Confident | 83 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 31% | 0.313 | C | S | . | . | trans | -56.2 | 138 | -166.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | A24 F31 T32 H35 | A24-A29 VanDerWaalsContact C-CB 3.46Å; A24-A29 HydrophobicContact CB-CB 4Å; A24-A29 WeakPolarHBondContact O-CB 3.47Å; A24-A29 PolarHBondContact O-N 3.34Å; A29-F31 HydrophobicContact CB-CD1 4.26Å; A29-F31 HydrophobicContact CB-CD2 4.05Å; A29-F31 HydrophobicContact CB-CE1 3.83Å; A29-F31 HydrophobicContact CB-CE2 3.62Å; A29-F31 HydrophobicContact CB-CG 4.35Å; A29-F31 HydrophobicContact CB-CZ 3.48Å; A29-F31 VanDerWaalsContact CB-CZ 3.48Å; A29-F31 PolarHBondContact O-N 3.17Å; A29-F31 VanDerWaalsContact O-N 3.15Å; A29-T32 PolarHBondContact O-N 3.11Å; A29-T32 PolarHBondContact O-OG1 2.66Å; A29-H35 PolarHBondContact O-CE1 2.93Å; A29-H35 VanDerWaalsContact O-CE1 3.25Å; A29-H35 PolarHBondContact O-NE2 3.1Å | ||
| 30 | P | 65.1 | Low | 83.4 | Confident | 35 Ų | 35 | 57.1 Ų | 57.1 | 23% | 0.227 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -19.8 | -175.9 | 29 | -38.1 | 0 | 0 | 0 | 113.9 | S67 Q68 | P30-S67 WeakPolarHBondContact CD-O 3.35Å; P30-Q68 HydrophobicContact CG-CG 4.33Å |
| 31 | F | 65.6 | Low | 83.8 | Confident | 86 Ų | 86 | 63 Ų | 63 | 38% | 0.377 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | 5.8 | -177.7 | 48 | -100 | 0 | 0 | 0 | 113.6 | I21 S25 A29 F66 | I21-F31 HydrophobicContact CG2-CE2 4.19Å; I21-F31 HydrophobicContact CG2-CZ 3.93Å; S25-F31 WeakPolarHBondContact OG-CE2 3.41Å; A29-F31 HydrophobicContact CB-CD1 4.26Å; A29-F31 HydrophobicContact CB-CD2 4.05Å; A29-F31 HydrophobicContact CB-CE1 3.83Å; A29-F31 HydrophobicContact CB-CE2 3.62Å; A29-F31 HydrophobicContact CB-CG 4.35Å; A29-F31 HydrophobicContact CB-CZ 3.48Å; A29-F31 VanDerWaalsContact CB-CZ 3.48Å; A29-F31 PolarHBondContact O-N 3.17Å; A29-F31 VanDerWaalsContact O-N 3.15Å; F31-F66 HydrophobicContact CD1-CE1 4.41Å; F31-F66 HydrophobicContact CE1-CD1 4.28Å; F31-F66 AromaticContact CE1-CE1 3.69Å; F31-F66 HydrophobicContact CE1-CE1 3.69Å; F31-F66 HydrophobicContact CE1-CZ 4.46Å; F31-F66 HydrophobicContact CZ-CE1 4.32Å |
| 32 | T | 69.2 | Low | 84.4 | Confident | 45 Ų | 45 | 63.5 Ų | 63.5 | 28% | 0.276 | 34% | 0.343 | S | S | . | . | trans | -122.1 | 149.6 | 169 | 54.7 | 0 | 0 | 0 | 0 | 110.6 | S25 A29 H35 | S25-T32 WeakPolarHBondContact O-CB 3.16Å; S25-T32 PolarHBondContact O-OG1 3.46Å; A29-T32 PolarHBondContact O-N 3.11Å; A29-T32 PolarHBondContact O-OG1 2.66Å; T32-H35 PolarHBondContact O-CE1 3.1Å; T32-H35 PolarHBondContact O-NE2 2.72Å; T32-H35 VanDerWaalsContact O-NE2 3.11Å; T32-H35 PolarHBondContact OG1-CD2 2.6Å; T32-H35 PolarHBondContact OG1-NE2 3.12Å | ||
| 33 | S | 70.9 | Confident | 84.9 | Confident | 117 Ų | 117 | 57.6 Ų | 57.6 | 82% | 0.818 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -100.6 | -26 | -174.9 | 47.8 | 0 | 0 | 0 | 0 | 114.5 | ||
| 34 | E | 79.1 | Confident | 85.1 | Confident | 174 Ų | 174 | 57.8 Ų | 57.8 | 81% | 0.813 | 32% | 0.322 | S | S | * | . | trans | -108.5 | 111.3 | -179.4 | -66 | -176 | 179.6 | 0 | 0 | 110 | ||||
| 35 | H | 86.8 | Confident | 85.6 | Confident | 73 Ų | 73 | 60.8 Ų | 60.8 | 34% | 0.338 | 34% | 0.338 | S | S | . | . | trans | -114.5 | 138.6 | -179 | -60.3 | 135 | 0 | 0 | 0 | 111.4 | Q26 Y27 A29 T32 | Q26-H35 CarbonylContact O-C 3.58Å; Q26-H35 WeakPolarHBondContact O-CA 3.37Å; Y27-H35 WeakPolarHBondContact O-CB 3.41Å; A29-H35 PolarHBondContact O-CE1 2.93Å; A29-H35 VanDerWaalsContact O-CE1 3.25Å; A29-H35 PolarHBondContact O-NE2 3.1Å; T32-H35 PolarHBondContact O-CE1 3.1Å; T32-H35 PolarHBondContact O-NE2 2.72Å; T32-H35 VanDerWaalsContact O-NE2 3.11Å; T32-H35 PolarHBondContact OG1-CD2 2.6Å; T32-H35 PolarHBondContact OG1-NE2 3.12Å | ||
| 36 | A | 88.6 | Confident | 86.1 | Confident | 40 Ų | 40 | 59.3 Ų | 59.3 | 33% | 0.331 | 33% | 0.328 | S | S | . | . | P | Polyproline II helix | trans | -67.4 | 151.7 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q26 Y27 | Q26-A36 HydrophobicContact CG-CB 4.37Å; Q26-A36 PolarHBondContact O-N 3.27Å; Y27-A36 HydrophobicContact CD1-CB 3.84Å; Y27-A36 HydrophobicContact CE1-CB 3.77Å |
| 37 | G | 87.3 | Confident | 86.5 | Confident | 56 Ų | 56 | 54.6 Ų | 54.6 | 58% | 0.577 | 31% | 0.306 | S | S | * | . | P | Polyproline II helix | trans | -60.2 | 156.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | K39 | G37-K39 PolarHBondContact O-N 3.1Š|
| 38 | F | 93.2 | Very high | 86.6 | Confident | 67 Ų | 67 | 55.8 Ų | 55.8 | 29% | 0.294 | 32% | 0.318 | S | S | . | . | P | Polyproline II helix | trans | -58.8 | 135.2 | 179.4 | 175.4 | -103.5 | 0 | 0 | 0 | 112 | P40 V43 F73 N77 H87 | F38-P40 HydrophobicContact CE1-CG 3.94Å; F38-V43 HydrophobicContact CE2-CG2 3.79Å; F38-V43 HydrophobicContact CZ-CG2 4.15Å; F38-F73 HydrophobicContact CD2-CD1 4.4Å; F38-F73 HydrophobicContact CD2-CD2 4.17Å; F38-F73 HydrophobicContact CD2-CE1 4.04Å; F38-F73 AromaticContact CD2-CE2 3.75Å; F38-F73 HydrophobicContact CD2-CE2 3.75Å; F38-F73 HydrophobicContact CD2-CG 4.5Å; F38-F73 AromaticContact CD2-CZ 3.71Å; F38-F73 HydrophobicContact CD2-CZ 3.71Å; F38-F73 HydrophobicContact CE2-CD1 4.31Å; F38-F73 HydrophobicContact CE2-CE1 4Å; F38-F73 HydrophobicContact CE2-CZ 4.12Å; F38-N77 HydrophobicContact CB-CB 4.34Å; F38-N77 HydrophobicContact CD1-CB 3.71Å; F38-N77 HydrophobicContact CD2-CB 3.42Å; F38-N77 VanDerWaalsContact CD2-CB 3.42Å; F38-N77 VanDerWaalsContact CD2-CG 3.42Å; F38-N77 WeakPolarHBondContact CD2-ND2 3.47Å; F38-N77 HydrophobicContact CE1-CB 3.76Å; F38-N77 HydrophobicContact CE2-CB 3.48Å; F38-N77 VanDerWaalsContact CE2-CB 3.48Å; F38-N77 HydrophobicContact CG-CB 3.54Å; F38-N77 VanDerWaalsContact CG-CG 3.41Å; F38-N77 HydrophobicContact CZ-CB 3.66Å; F38-H87 AromaticContact CZ-CE1 3.64Å |
| 39 | K | 92.6 | Very high | 86.8 | Confident | 102 Ų | 102 | 58.2 Ų | 58.2 | 44% | 0.443 | 33% | 0.331 | S | S | . | . | trans | -133.2 | 118.2 | 177.9 | -74.7 | -173.4 | -175.8 | 178.3 | 0 | 109.8 | Y27 G37 E41 V42 | Y27-K39 HydrophobicContact CE1-CB 4.47Å; Y27-K39 HydrophobicContact CE1-CD 4.17Å; Y27-K39 HydrophobicContact CE1-CG 4.37Å; G37-K39 PolarHBondContact O-N 3.1Å; K39-E41 WeakPolarHBondContact CB-OE2 3.3Å; K39-E41 PolarHBondContact O-N 3.02Å; K39-V42 HydrophobicContact CB-CG2 3.76Å; K39-V42 WeakPolarHBondContact O-CB 3.48Å; K39-V42 PolarHBondContact O-N 3.21Å; K39-V42 VanDerWaalsContact O-N 3.11Å | ||
| 40 | P | 93.3 | Very high | 87.6 | Confident | 74 Ų | 74 | 59 Ų | 59 | 48% | 0.481 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -57.2 | -31.5 | 178.4 | -24.6 | 33.7 | 0 | 0 | 0 | 113.5 | F38 V42 V43 A44 | F38-P40 HydrophobicContact CE1-CG 3.94Å; P40-V42 PolarHBondContact O-N 3.31Å; P40-V43 WeakPolarHBondContact O-CB 3.05Å; P40-V43 PolarHBondContact O-N 3.33Å; P40-V43 VanDerWaalsContact O-N 3.13Å; P40-A44 PolarHBondContact O-N 2.74Å; P40-A44 VanDerWaalsContact O-N 3.07Å |
| 41 | E | 94.7 | Very high | 88.9 | Confident | 129 Ų | 129 | 57.3 Ų | 57.3 | 60% | 0.603 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -64 | -29.2 | -179.7 | -54.3 | 77.4 | -166.9 | 0 | 0 | 112 | K39 A44 D45 | K39-E41 WeakPolarHBondContact CB-OE2 3.3Å; K39-E41 PolarHBondContact O-N 3.02Å; E41-A44 PolarHBondContact O-N 3.37Å; E41-D45 WeakPolarHBondContact O-CB 3.24Å; E41-D45 PolarHBondContact O-N 3.48Å |
| 42 | V | 94.7 | Very high | 90.2 | Very high | 16 Ų | 16 | 56.1 Ų | 56.1 | 10% | 0.097 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -69.1 | -39.5 | 176.7 | 177.9 | 0 | 0 | 0 | 0 | 110.5 | V23 Y27 W28 K39 P40 D45 I46 F73 | V23-V42 HydrophobicContact CG1-CG1 3.83Å; Y27-V42 HydrophobicContact CD1-CG2 4.5Å; Y27-V42 HydrophobicContact CD2-CG1 4.23Å; Y27-V42 HydrophobicContact CD2-CG2 4.42Å; Y27-V42 HydrophobicContact CE1-CG2 3.89Å; Y27-V42 HydrophobicContact CE2-CG1 4.3Å; Y27-V42 HydrophobicContact CE2-CG2 3.82Å; W28-V42 HydrophobicContact CZ3-CG1 4.43Å; K39-V42 HydrophobicContact CB-CG2 3.76Å; K39-V42 WeakPolarHBondContact O-CB 3.48Å; K39-V42 PolarHBondContact O-N 3.21Å; K39-V42 VanDerWaalsContact O-N 3.11Å; P40-V42 PolarHBondContact O-N 3.31Å; V42-D45 PolarHBondContact O-N 3.17Å; V42-I46 HydrophobicContact CG1-CD1 3.9Å; V42-I46 WeakPolarHBondContact O-CB 3.38Å; V42-I46 WeakPolarHBondContact O-CD1 3.45Å; V42-I46 VanDerWaalsContact O-CG1 3.24Å; V42-I46 WeakPolarHBondContact O-CG1 3.19Å; V42-I46 PolarHBondContact O-N 3.4Å; V42-F73 HydrophobicContact CB-CE1 4.24Å; V42-F73 HydrophobicContact CB-CZ 4.14Å; V42-F73 HydrophobicContact CG1-CE1 3.98Å; V42-F73 HydrophobicContact CG1-CZ 4.02Å |
| 43 | V | 96 | Very high | 91.2 | Very high | 1 Ų | 1 | 63.6 Ų | 63.6 | 1% | 0.006 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -65.6 | -45.1 | 175.2 | 179.9 | 0 | 0 | 0 | 0 | 110.4 | F38 P40 D45 I46 Y47 F73 L74 H87 | F38-V43 HydrophobicContact CE2-CG2 3.79Å; F38-V43 HydrophobicContact CZ-CG2 4.15Å; P40-V43 WeakPolarHBondContact O-CB 3.05Å; P40-V43 PolarHBondContact O-N 3.33Å; P40-V43 VanDerWaalsContact O-N 3.13Å; V43-D45 PolarHBondContact O-N 3.31Å; V43-I46 PolarHBondContact O-N 3.32Å; V43-Y47 WeakPolarHBondContact O-CB 3.37Å; V43-Y47 PolarHBondContact O-N 2.88Å; V43-F73 HydrophobicContact CG2-CD1 4.02Å; V43-F73 HydrophobicContact CG2-CE1 3.64Å; V43-L74 HydrophobicContact CG1-CD2 3.81Å; V43-L74 HydrophobicContact CG2-CD2 4.12Å; V43-H87 HydrophobicContact CG1-CB 3.86Å |
| 44 | A | 95 | Very high | 92 | Very high | 31 Ų | 31 | 62.4 Ų | 62.4 | 26% | 0.256 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -61.6 | -42.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | P40 E41 Y47 C48 | P40-A44 PolarHBondContact O-N 2.74Å; P40-A44 VanDerWaalsContact O-N 3.07Å; E41-A44 PolarHBondContact O-N 3.37Å; A44-Y47 PolarHBondContact O-N 3.26Å; A44-C48 VanDerWaalsContact O-CB 3.32Å; A44-C48 WeakPolarHBondContact O-CB 3.41Å; A44-C48 PolarHBondContact O-N 3.19Å; A44-C48 PolarHBondContact O-SG 2.76Å; A44-C48 VanDerWaalsContact O-SG 3.4Å |
| 45 | D | 95.3 | Very high | 92.4 | Very high | 63 Ų | 63 | 56.9 Ų | 56.9 | 34% | 0.337 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -62.4 | -49.2 | 176.9 | -175.1 | 59.2 | 0 | 0 | 0 | 111.8 | E41 V42 V43 Y47 N49 | E41-D45 WeakPolarHBondContact O-CB 3.24Å; E41-D45 PolarHBondContact O-N 3.48Å; V42-D45 PolarHBondContact O-N 3.17Å; V43-D45 PolarHBondContact O-N 3.31Å; D45-Y47 VanDerWaalsContact C-N 3.34Å; D45-Y47 PolarHBondContact O-N 3.43Å; D45-N49 VanDerWaalsContact O-CB 3.28Å; D45-N49 WeakPolarHBondContact O-CB 3.48Å; D45-N49 PolarHBondContact O-N 3.4Å; D45-N49 PolarHBondContact OD1-ND2 2.85Å |
| 46 | I | 95.7 | Very high | 92.6 | Very high | 2 Ų | 2 | 54.8 Ų | 54.8 | 1% | 0.01 | 30% | 0.304 | C | S | . | . | I | π-helix | trans | -59.3 | -47.2 | 177.2 | -69.3 | 166.4 | 0 | 0 | 0 | 110.2 | L20 V23 W28 V42 V43 E50 L51 L64 Y69 | L20-I46 HydrophobicContact CD2-CG1 4.26Å; L20-I46 HydrophobicContact CD2-CG2 4.18Å; V23-I46 HydrophobicContact CG1-CD1 4.28Å; W28-I46 HydrophobicContact CH2-CD1 3.6Å; W28-I46 HydrophobicContact CZ3-CD1 4.02Å; V42-I46 HydrophobicContact CG1-CD1 3.9Å; V42-I46 WeakPolarHBondContact O-CB 3.38Å; V42-I46 WeakPolarHBondContact O-CD1 3.45Å; V42-I46 VanDerWaalsContact O-CG1 3.24Å; V42-I46 WeakPolarHBondContact O-CG1 3.19Å; V42-I46 PolarHBondContact O-N 3.4Å; V43-I46 PolarHBondContact O-N 3.32Å; I46-E50 WeakPolarHBondContact O-CA 3.42Å; I46-E50 VanDerWaalsContact O-CB 3.25Å; I46-E50 WeakPolarHBondContact O-CB 3.4Å; I46-E50 PolarHBondContact O-N 2.86Å; I46-L51 PolarHBondContact O-N 3.37Å; I46-L51 VanDerWaalsContact O-N 3.09Å; I46-L64 HydrophobicContact CG2-CD1 3.95Å; I46-L64 HydrophobicContact CG2-CD2 3.93Å; I46-Y69 HydrophobicContact CD1-CE2 3.75Å; I46-Y69 HydrophobicContact CG2-CE1 4.16Å |
| 47 | Y | 96.1 | Very high | 92.3 | Very high | 4 Ų | 4 | 54.1 Ų | 54.1 | 2% | 0.016 | 30% | 0.298 | C | S | . | . | I | π-helix | trans | -61.4 | -55.4 | -179.9 | -177.3 | -97.6 | 0 | 0 | 0 | 111.9 | V43 A44 D45 L51 L52 F56 E86 L89 S90 E137 | V43-Y47 WeakPolarHBondContact O-CB 3.37Å; V43-Y47 PolarHBondContact O-N 2.88Å; A44-Y47 PolarHBondContact O-N 3.26Å; D45-Y47 VanDerWaalsContact C-N 3.34Å; D45-Y47 PolarHBondContact O-N 3.43Å; Y47-L51 HydrophobicContact CD2-CB 4.45Å; Y47-L51 HydrophobicContact CD2-CD1 4.09Å; Y47-L51 WeakPolarHBondContact O-CB 3.5Å; Y47-L51 PolarHBondContact O-N 2.99Å; Y47-L52 HydrophobicContact CE1-CB 4.26Å; Y47-L52 HydrophobicContact CE1-CD2 4.2Å; Y47-L52 WeakPolarHBondContact O-CB 3.4Å; Y47-L52 PolarHBondContact O-N 3.01Å; Y47-F56 HydrophobicContact CE2-CE1 4.03Å; Y47-F56 HydrophobicContact CE2-CZ 4.36Å; Y47-E86 HydrophobicContact CD1-CB 3.53Å; Y47-E86 HydrophobicContact CD1-CG 3.4Å; Y47-E86 HydrophobicContact CD2-CB 4.45Å; Y47-E86 HydrophobicContact CE1-CB 4.21Å; Y47-E86 HydrophobicContact CE1-CG 3.91Å; Y47-E86 HydrophobicContact CG-CB 3.67Å; Y47-E86 HydrophobicContact CG-CG 4.09Å; Y47-L89 HydrophobicContact CD2-CB 4.4Å; Y47-L89 HydrophobicContact CE2-CB 3.55Å; Y47-L89 HydrophobicContact CE2-CD1 4.29Å; Y47-L89 WeakPolarHBondContact OH-CD1 3.35Å; Y47-S90 WeakPolarHBondContact CD2-OG 3.08Å; Y47-E137 VanDerWaalsContact OH-CD 3.31Å; Y47-E137 VanDerWaalsContact OH-CG 3.29Å; Y47-E137 WeakPolarHBondContact OH-CG 3.43Å; Y47-E137 PolarHBondContact OH-OE1 2.83Å |
| 48 | C | 94 | Very high | 91.9 | Very high | 53 Ų | 53 | 53.1 Ų | 53.1 | 36% | 0.358 | 28% | 0.281 | S | S | . | . | I | π-helix | trans | -67 | -46 | -175.3 | -70.6 | 0 | 0 | 0 | 0 | 112.2 | A44 R53 | A44-C48 VanDerWaalsContact O-CB 3.32Å; A44-C48 WeakPolarHBondContact O-CB 3.41Å; A44-C48 PolarHBondContact O-N 3.19Å; A44-C48 PolarHBondContact O-SG 2.76Å; A44-C48 VanDerWaalsContact O-SG 3.4Å; C48-R53 WeakPolarHBondContact O-CB 3.36Å; C48-R53 PolarHBondContact O-N 2.97Å; C48-R53 VanDerWaalsContact O-N 3.07Å |
| 49 | N | 93.2 | Very high | 91.2 | Very high | 54 Ų | 54 | 55 Ų | 55 | 29% | 0.289 | 29% | 0.287 | S | S | . | . | I | π-helix | trans | -92.2 | -30.8 | -170.5 | -71.3 | -47.5 | 0 | 0 | 0 | 114.4 | D45 | D45-N49 VanDerWaalsContact O-CB 3.28Å; D45-N49 WeakPolarHBondContact O-CB 3.48Å; D45-N49 PolarHBondContact O-N 3.4Å; D45-N49 PolarHBondContact OD1-ND2 2.85Å |
| 50 | E | 92.3 | Very high | 90.9 | Very high | 17 Ų | 17 | 51.1 Ų | 51.1 | 8% | 0.079 | 27% | 0.27 | C | S | . | . | I | π-helix | trans | -107 | -30.1 | -173.9 | -56.3 | -65.2 | 157.8 | 0 | 0 | 113 | K19 L20 I46 K54 Q60 | K19-E50 IonicContact NZ-OE1 2.72Å; L20-E50 HydrophobicContact CD1-CB 4.17Å; L20-E50 HydrophobicContact CD1-CG 4.31Å; L20-E50 HydrophobicContact CD2-CB 4.06Å; L20-E50 HydrophobicContact CD2-CG 3.81Å; L20-E50 HydrophobicContact CG-CB 4.34Å; L20-E50 HydrophobicContact CG-CG 4Å; I46-E50 WeakPolarHBondContact O-CA 3.42Å; I46-E50 VanDerWaalsContact O-CB 3.25Å; I46-E50 WeakPolarHBondContact O-CB 3.4Å; I46-E50 PolarHBondContact O-N 2.86Å; E50-K54 IonicContact OE1-NZ 3.48Å; E50-K54 WeakPolarHBondContact OE2-CE 3.15Å; E50-K54 IonicContact OE2-NZ 2.78Å; E50-K54 PolarHBondContact OE2-NZ 3.06Å; E50-Q60 WeakPolarHBondContact O-CG 3.39Å |
| 51 | L | 93.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 25% | 0.25 | C | C | . | . | I | π-helix | trans | -96.3 | -68.2 | 176.4 | -63.5 | 177.4 | 0 | 0 | 0 | 111.9 | I46 Y47 K54 G55 F56 I61 L64 | I46-L51 PolarHBondContact O-N 3.37Å; I46-L51 VanDerWaalsContact O-N 3.09Å; Y47-L51 HydrophobicContact CD2-CB 4.45Å; Y47-L51 HydrophobicContact CD2-CD1 4.09Å; Y47-L51 WeakPolarHBondContact O-CB 3.5Å; Y47-L51 PolarHBondContact O-N 2.99Å; L51-K54 CarbonylContact O-C 3.6Å; L51-K54 PolarHBondContact O-N 2.92Å; L51-G55 PolarHBondContact O-N 2.72Å; L51-G55 VanDerWaalsContact O-N 3.16Å; L51-F56 HydrophobicContact CB-CD1 3.95Å; L51-F56 HydrophobicContact CB-CE1 4.01Å; L51-F56 PolarHBondContact O-N 3.33Å; L51-I61 HydrophobicContact CD2-CG1 3.91Å; L51-L64 HydrophobicContact CD1-CD1 4.22Å; L51-L64 HydrophobicContact CD2-CD1 3.84Å; L51-L64 HydrophobicContact CG-CD1 4.2Å |
| 52 | L | 92.6 | Very high | 89.8 | Confident | 61 Ų | 61 | 44.8 Ų | 44.8 | 32% | 0.319 | 24% | 0.235 | S | C | . | . | I | π-helix | trans | -64.8 | -52.7 | -171.2 | -176.1 | 64.9 | 0 | 0 | 0 | 112.3 | Y47 K54 G55 F56 E137 | Y47-L52 HydrophobicContact CE1-CB 4.26Å; Y47-L52 HydrophobicContact CE1-CD2 4.2Å; Y47-L52 WeakPolarHBondContact O-CB 3.4Å; Y47-L52 PolarHBondContact O-N 3.01Å; L52-K54 PolarHBondContact O-N 2.99Å; L52-K54 VanDerWaalsContact O-N 3.14Å; L52-G55 PolarHBondContact O-N 3.35Å; L52-F56 HydrophobicContact CD1-CE2 3.99Å; L52-F56 HydrophobicContact CD1-CZ 3.95Å; L52-E137 HydrophobicContact CD1-CG 4.2Å |
| 53 | R | 89.6 | Confident | 89.2 | Confident | 201 Ų | 201 | 44.1 Ų | 44.1 | 76% | 0.758 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -27.1 | 179.4 | -176.7 | 176.1 | -177.4 | 173.5 | 1.8 | 113.3 | C48 | C48-R53 WeakPolarHBondContact O-CB 3.36Å; C48-R53 PolarHBondContact O-N 2.97Å; C48-R53 VanDerWaalsContact O-N 3.07Å |
| 54 | K | 89.1 | Confident | 88.8 | Confident | 93 Ų | 93 | 44.1 Ų | 44.1 | 40% | 0.404 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | 10.8 | 177.8 | -61.5 | -175.2 | -179.7 | 172.3 | 0 | 112.9 | E50 L51 L52 F56 A57 Q60 | E50-K54 IonicContact OE1-NZ 3.48Å; E50-K54 WeakPolarHBondContact OE2-CE 3.15Å; E50-K54 IonicContact OE2-NZ 2.78Å; E50-K54 PolarHBondContact OE2-NZ 3.06Å; L51-K54 CarbonylContact O-C 3.6Å; L51-K54 PolarHBondContact O-N 2.92Å; L52-K54 PolarHBondContact O-N 2.99Å; L52-K54 VanDerWaalsContact O-N 3.14Å; K54-F56 PolarHBondContact O-N 2.9Å; K54-A57 HydrophobicContact CB-CB 4.35Å; K54-A57 WeakPolarHBondContact O-CB 3.31Å; K54-A57 PolarHBondContact O-N 3.11Å; K54-Q60 HydrophobicContact CD-CG 3.93Å |
| 55 | G | 87.5 | Confident | 88.2 | Confident | 57 Ų | 57 | 42.9 Ų | 42.9 | 59% | 0.588 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64 | 35.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114 | L51 L52 A57 | L51-G55 PolarHBondContact O-N 2.72Å; L51-G55 VanDerWaalsContact O-N 3.16Å; L52-G55 PolarHBondContact O-N 3.35Å; G55-A57 VanDerWaalsContact C-N 3.3Å; G55-A57 PolarHBondContact O-N 3.33Å |
| 56 | F | 89.8 | Confident | 87.2 | Confident | 29 Ų | 29 | 42.2 Ų | 42.2 | 13% | 0.127 | 21% | 0.214 | C | C | . | . | S | Bend | trans | 55.9 | 42.4 | -176.6 | -55.4 | -79.1 | 0 | 0 | 0 | 112.9 | Y47 L51 L52 K54 I61 V93 P136 E137 I140 | Y47-F56 HydrophobicContact CE2-CE1 4.03Å; Y47-F56 HydrophobicContact CE2-CZ 4.36Å; L51-F56 HydrophobicContact CB-CD1 3.95Å; L51-F56 HydrophobicContact CB-CE1 4.01Å; L51-F56 PolarHBondContact O-N 3.33Å; L52-F56 HydrophobicContact CD1-CE2 3.99Å; L52-F56 HydrophobicContact CD1-CZ 3.95Å; K54-F56 PolarHBondContact O-N 2.9Å; F56-I61 HydrophobicContact CB-CD1 4.38Å; F56-I61 WeakPolarHBondContact O-CD1 3.47Å; F56-V93 HydrophobicContact CD1-CG2 3.88Å; F56-V93 HydrophobicContact CE1-CG2 3.91Å; F56-P136 HydrophobicContact CD2-CB 4.3Å; F56-P136 HydrophobicContact CE2-CB 4.02Å; F56-E137 HydrophobicContact CE2-CG 4.31Å; F56-E137 HydrophobicContact CZ-CG 4Å; F56-I140 HydrophobicContact CD1-CD1 3.67Å; F56-I140 HydrophobicContact CD2-CD1 3.91Å; F56-I140 HydrophobicContact CE1-CD1 3.43Å; F56-I140 VanDerWaalsContact CE1-CD1 3.43Å; F56-I140 HydrophobicContact CE2-CD1 3.67Å; F56-I140 HydrophobicContact CG-CD1 3.91Å; F56-I140 HydrophobicContact CZ-CD1 3.43Å; F56-I140 VanDerWaalsContact CZ-CD1 3.43Å |
| 57 | A | 82.5 | Confident | 86.4 | Confident | 26 Ų | 26 | 42.2 Ų | 42.2 | 22% | 0.215 | 21% | 0.214 | C | C | . | . | trans | -56.7 | 132.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | K54 G55 R59 Q60 I61 | K54-A57 HydrophobicContact CB-CB 4.35Å; K54-A57 WeakPolarHBondContact O-CB 3.31Å; K54-A57 PolarHBondContact O-N 3.11Å; G55-A57 VanDerWaalsContact C-N 3.3Å; G55-A57 PolarHBondContact O-N 3.33Å; A57-R59 PolarHBondContact O-N 3.14Å; A57-R59 VanDerWaalsContact O-N 3.11Å; A57-Q60 PolarHBondContact O-N 3.38Å; A57-Q60 VanDerWaalsContact O-N 3.1Å; A57-Q60 PolarHBondContact O-OE1 3.23Å; A57-I61 PolarHBondContact O-N 3.06Å | ||
| 58 | P | 78.2 | Confident | 85.7 | Confident | 35 Ų | 35 | 42.6 Ų | 42.6 | 23% | 0.227 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -56.6 | -31.6 | -175.5 | -29.3 | 34.8 | 0 | 0 | 0 | 115 | Q60 M62 | P58-Q60 PolarHBondContact O-N 3.02Å; P58-M62 WeakPolarHBondContact O-CB 3.47Å; P58-M62 PolarHBondContact O-N 3.12Å |
| 59 | R | 78.9 | Confident | 85.6 | Confident | 107 Ų | 107 | 40.1 Ų | 40.1 | 40% | 0.404 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -61 | -44.1 | 178.5 | 170.9 | 179.5 | 167.2 | 177.7 | -2.3 | 111.4 | P10 D18 A57 M62 L63 | P10-R59 HydrophobicContact CG-CG 4.3Å; D18-R59 IonicContact OD2-CZ 3.28Å; D18-R59 IonicContact OD2-NH2 3.02Å; D18-R59 PolarHBondContact OD2-NH2 2.92Å; A57-R59 PolarHBondContact O-N 3.14Å; A57-R59 VanDerWaalsContact O-N 3.11Å; R59-M62 WeakPolarHBondContact O-CB 3.2Å; R59-M62 PolarHBondContact O-N 3.1Å; R59-L63 HydrophobicContact CG-CD1 4.29Å; R59-L63 VanDerWaalsContact O-CG 3.31Å; R59-L63 WeakPolarHBondContact O-CG 3.36Å; R59-L63 PolarHBondContact O-N 3.4Å |
| 60 | Q | 86.1 | Confident | 85.6 | Confident | 21 Ų | 21 | 37.5 Ų | 37.5 | 10% | 0.098 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -70 | -41.9 | -175.5 | -75.5 | 68.6 | 11 | 0 | 0 | 110.3 | L20 E50 K54 A57 P58 M62 L63 L64 | L20-Q60 HydrophobicContact CD1-CB 4.22Å; L20-Q60 HydrophobicContact CD1-CG 4.13Å; E50-Q60 WeakPolarHBondContact O-CG 3.39Å; K54-Q60 HydrophobicContact CD-CG 3.93Å; A57-Q60 PolarHBondContact O-N 3.38Å; A57-Q60 VanDerWaalsContact O-N 3.1Å; A57-Q60 PolarHBondContact O-OE1 3.23Å; P58-Q60 PolarHBondContact O-N 3.02Å; Q60-M62 VanDerWaalsContact C-N 3.33Å; Q60-M62 PolarHBondContact O-N 3.09Å; Q60-L63 PolarHBondContact O-N 2.79Å; Q60-L64 WeakPolarHBondContact O-CG 3.37Å; Q60-L64 PolarHBondContact O-N 3.35Å |
| 61 | I | 87.7 | Confident | 85.3 | Confident | 10 Ų | 10 | 38.8 Ų | 38.8 | 5% | 0.051 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.8 | -43.6 | 174.2 | -57.4 | 172.9 | 0 | 0 | 0 | 110.3 | L51 F56 A57 L63 L64 E65 V93 M94 E97 | L51-I61 HydrophobicContact CD2-CG1 3.91Å; F56-I61 HydrophobicContact CB-CD1 4.38Å; F56-I61 WeakPolarHBondContact O-CD1 3.47Å; A57-I61 PolarHBondContact O-N 3.06Å; I61-L63 VanDerWaalsContact C-N 3.35Å; I61-L63 PolarHBondContact O-N 2.91Å; I61-L64 PolarHBondContact O-N 2.95Å; I61-E65 WeakPolarHBondContact O-CB 3.43Å; I61-E65 PolarHBondContact O-N 2.86Å; I61-V93 HydrophobicContact CD1-CG1 3.77Å; I61-V93 HydrophobicContact CG1-CG1 3.87Å; I61-V93 HydrophobicContact CG2-CG1 4.21Å; I61-M94 HydrophobicContact CG2-SD 4.27Å; I61-E97 HydrophobicContact CG2-CB 3.64Å; I61-E97 HydrophobicContact CG2-CG 3.48Å; I61-E97 VanDerWaalsContact CG2-CG 3.48Å; I61-E97 WeakPolarHBondContact CG2-OE2 3.25Å |
| 62 | M | 78.2 | Confident | 85 | Confident | 59 Ų | 59 | 43.3 Ų | 43.3 | 29% | 0.291 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -59.9 | -41.3 | 175.5 | -175.9 | -158.8 | -59.6 | 0 | 0 | 112.5 | I9 P58 R59 Q60 E65 F66 | I9-M62 HydrophobicContact CG1-CE 4.19Å; I9-M62 HydrophobicContact CG2-SD 4.02Å; P58-M62 WeakPolarHBondContact O-CB 3.47Å; P58-M62 PolarHBondContact O-N 3.12Å; R59-M62 WeakPolarHBondContact O-CB 3.2Å; R59-M62 PolarHBondContact O-N 3.1Å; Q60-M62 VanDerWaalsContact C-N 3.33Å; Q60-M62 PolarHBondContact O-N 3.09Å; M62-E65 PolarHBondContact O-N 3.39Å; M62-F66 VanDerWaalsContact O-CB 3.3Å; M62-F66 WeakPolarHBondContact O-CB 3.49Å; M62-F66 PolarHBondContact O-N 2.95Å |
| 63 | L | 81.8 | Confident | 85.1 | Confident | 2 Ų | 2 | 40.5 Ų | 40.5 | 1% | 0.01 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64 | -41.7 | 176.1 | -69 | 170 | 0 | 0 | 0 | 112 | P10 L15 D18 L20 I21 R59 Q60 I61 F66 S67 | P10-L63 HydrophobicContact CG-CD2 4.26Å; L15-L63 HydrophobicContact CD2-CD2 3.15Å; D18-L63 WeakPolarHBondContact OD2-CD1 3.29Å; L20-L63 HydrophobicContact CD1-CB 4.26Å; L20-L63 HydrophobicContact CD1-CD1 4.01Å; I21-L63 HydrophobicContact CD1-CD2 4.35Å; I21-L63 HydrophobicContact CG1-CD2 4.2Å; R59-L63 HydrophobicContact CG-CD1 4.29Å; R59-L63 VanDerWaalsContact O-CG 3.31Å; R59-L63 WeakPolarHBondContact O-CG 3.36Å; R59-L63 PolarHBondContact O-N 3.4Å; Q60-L63 PolarHBondContact O-N 2.79Å; I61-L63 VanDerWaalsContact C-N 3.35Å; I61-L63 PolarHBondContact O-N 2.91Å; L63-F66 PolarHBondContact O-N 3.49Å; L63-S67 PolarHBondContact O-N 3.29Å; L63-S67 VanDerWaalsContact O-N 3.09Å; L63-S67 PolarHBondContact O-OG 3.14Å |
| 64 | L | 88.6 | Confident | 85.4 | Confident | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -65.9 | -41.4 | 176.4 | -70 | 172.6 | 0 | 0 | 0 | 111.4 | L20 W28 I46 L51 Q60 I61 S67 Q68 Y69 M94 | L20-L64 HydrophobicContact CD2-CD2 3.78Å; L20-L64 HydrophobicContact CD2-CG 4.4Å; W28-L64 HydrophobicContact CZ2-CD2 4.33Å; I46-L64 HydrophobicContact CG2-CD1 3.95Å; I46-L64 HydrophobicContact CG2-CD2 3.93Å; L51-L64 HydrophobicContact CD1-CD1 4.22Å; L51-L64 HydrophobicContact CD2-CD1 3.84Å; L51-L64 HydrophobicContact CG-CD1 4.2Å; Q60-L64 WeakPolarHBondContact O-CG 3.37Å; Q60-L64 PolarHBondContact O-N 3.35Å; I61-L64 PolarHBondContact O-N 2.95Å; L64-S67 PolarHBondContact O-N 3.44Å; L64-S67 PolarHBondContact O-OG 2.93Å; L64-Q68 PolarHBondContact O-N 3.33Å; L64-Y69 HydrophobicContact CB-CD1 4.06Å; L64-Y69 HydrophobicContact CB-CG 4.29Å; L64-Y69 HydrophobicContact CD1-CD1 3.99Å; L64-Y69 HydrophobicContact CD1-CE1 4.18Å; L64-Y69 HydrophobicContact CD2-CD1 3.79Å; L64-Y69 HydrophobicContact CD2-CD2 4.26Å; L64-Y69 HydrophobicContact CD2-CE1 4.16Å; L64-Y69 HydrophobicContact CD2-CG 3.85Å; L64-Y69 HydrophobicContact CG-CD1 4.17Å; L64-Y69 VanDerWaalsContact O-CB 3.26Å; L64-Y69 WeakPolarHBondContact O-CB 3.46Å; L64-Y69 PolarHBondContact O-N 3.43Å; L64-M94 HydrophobicContact CB-CE 4.08Å; L64-M94 HydrophobicContact CB-SD 3.89Å; L64-M94 HydrophobicContact CD1-SD 4.43Å |
| 65 | E | 81.4 | Confident | 85.7 | Confident | 6 Ų | 6 | 26.7 Ų | 26.7 | 3% | 0.028 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62.8 | -47.8 | 175.4 | 179.8 | 59.1 | -167.4 | 0 | 0 | 111.4 | I61 M62 S67 Q68 M94 K98 | I61-E65 WeakPolarHBondContact O-CB 3.43Å; I61-E65 PolarHBondContact O-N 2.86Å; M62-E65 PolarHBondContact O-N 3.39Å; E65-S67 PolarHBondContact O-N 2.64Å; E65-Q68 PolarHBondContact O-N 3.35Å; E65-M94 HydrophobicContact CB-CE 3.73Å; E65-M94 VanDerWaalsContact OE2-CE 3.29Å; E65-M94 WeakPolarHBondContact OE2-CE 3.15Å; E65-K98 IonicContact OE1-NZ 3.32Å; E65-K98 PolarHBondContact OE1-NZ 3.37Å; E65-K98 WeakPolarHBondContact OE2-CE 3.48Å; E65-K98 IonicContact OE2-NZ 2.78Å; E65-K98 PolarHBondContact OE2-NZ 3.45Å |
| 66 | F | 74.2 | Confident | 86 | Confident | 49 Ų | 49 | 26.7 Ų | 26.7 | 22% | 0.215 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -55.4 | -38 | 175.8 | 174 | -96.4 | 0 | 0 | 0 | 112.2 | L15 I21 F31 M62 L63 Q68 N1339 | L15-F66 HydrophobicContact CD1-CE1 4.4Å; L15-F66 HydrophobicContact CD1-CE2 4.47Å; L15-F66 HydrophobicContact CD1-CZ 4.19Å; I21-F66 HydrophobicContact CD1-CD1 3.86Å; I21-F66 HydrophobicContact CD1-CE1 4.26Å; F31-F66 HydrophobicContact CD1-CE1 4.41Å; F31-F66 HydrophobicContact CE1-CD1 4.28Å; F31-F66 AromaticContact CE1-CE1 3.69Å; F31-F66 HydrophobicContact CE1-CE1 3.69Å; F31-F66 HydrophobicContact CE1-CZ 4.46Å; F31-F66 HydrophobicContact CZ-CE1 4.32Å; M62-F66 VanDerWaalsContact O-CB 3.3Å; M62-F66 WeakPolarHBondContact O-CB 3.49Å; M62-F66 PolarHBondContact O-N 2.95Å; L63-F66 PolarHBondContact O-N 3.49Å; F66-Q68 VanDerWaalsContact C-N 3.3Å; F66-Q68 PolarHBondContact O-N 3.29Å; F66-N1339 HydrophobicContact CE2-CB 3.97Å; F66-N1339 WeakPolarHBondContact CE2-O 3.22Å; F66-N1339 HydrophobicContact CZ-CB 3.88Å |
| 67 | S | 79.3 | Confident | 86.3 | Confident | 2 Ų | 2 | 27.9 Ų | 27.9 | 1% | 0.014 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -0.1 | 177.2 | 72.2 | 0 | 0 | 0 | 0 | 114.9 | W28 P30 L63 L64 E65 | W28-S67 PolarHBondContact NE1-O 3.44Å; W28-S67 PolarHBondContact NE1-OG 3.13Å; P30-S67 WeakPolarHBondContact CD-O 3.35Å; L63-S67 PolarHBondContact O-N 3.29Å; L63-S67 VanDerWaalsContact O-N 3.09Å; L63-S67 PolarHBondContact O-OG 3.14Å; L64-S67 PolarHBondContact O-N 3.44Å; L64-S67 PolarHBondContact O-OG 2.93Å; E65-S67 PolarHBondContact O-N 2.64Å |
| 68 | Q | 80.8 | Confident | 86.9 | Confident | 12 Ų | 12 | 26.6 Ų | 26.6 | 6% | 0.056 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61 | 42.2 | -175.5 | -57 | 171.9 | 24.5 | 0 | 0 | 113.6 | P30 L64 E65 F66 L70 E71 R72 F1341 | P30-Q68 HydrophobicContact CG-CG 4.33Å; L64-Q68 PolarHBondContact O-N 3.33Å; E65-Q68 PolarHBondContact O-N 3.35Å; F66-Q68 VanDerWaalsContact C-N 3.3Å; F66-Q68 PolarHBondContact O-N 3.29Å; Q68-L70 VanDerWaalsContact C-N 3.31Å; Q68-L70 PolarHBondContact O-N 3.43Å; Q68-E71 HydrophobicContact CB-CB 4.42Å; Q68-E71 PolarHBondContact O-N 2.89Å; Q68-R72 HydrophobicContact CB-CG 4.1Å; Q68-R72 PolarHBondContact O-N 2.81Å; Q68-F1341 HydrophobicContact CG-CD2 3.65Å; Q68-F1341 HydrophobicContact CG-CE2 3.69Å; Q68-F1341 HydrophobicContact CG-CG 4.03Å; Q68-F1341 HydrophobicContact CG-CZ 4.16Å |
| 69 | Y | 92.7 | Very high | 87.8 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 13% | 0.131 | C | C | . | . | I | π-helix | trans | -57.3 | -39.8 | -177.2 | -174.8 | -134.9 | 0 | 0 | 0 | 113.1 | W28 I46 L64 F73 L74 M94 | W28-Y69 HydrophobicContact CD2-CD2 4.3Å; W28-Y69 AromaticContact CE2-CD2 3.75Å; W28-Y69 HydrophobicContact CE3-CD2 4.49Å; W28-Y69 AromaticContact CH2-CD2 3.83Å; W28-Y69 HydrophobicContact CH2-CD2 3.83Å; W28-Y69 AromaticContact CH2-CE2 3.96Å; W28-Y69 HydrophobicContact CH2-CE2 3.96Å; W28-Y69 AromaticContact CZ2-CD2 3.51Å; W28-Y69 HydrophobicContact CZ2-CD2 3.51Å; W28-Y69 HydrophobicContact CZ2-CE2 4.13Å; W28-Y69 HydrophobicContact CZ2-CG 4.25Å; W28-Y69 HydrophobicContact CZ3-CD2 4.29Å; W28-Y69 HydrophobicContact CZ3-CE2 4.24Å; I46-Y69 HydrophobicContact CD1-CE2 3.75Å; I46-Y69 HydrophobicContact CG2-CE1 4.16Å; L64-Y69 HydrophobicContact CB-CD1 4.06Å; L64-Y69 HydrophobicContact CB-CG 4.29Å; L64-Y69 HydrophobicContact CD1-CD1 3.99Å; L64-Y69 HydrophobicContact CD1-CE1 4.18Å; L64-Y69 HydrophobicContact CD2-CD1 3.79Å; L64-Y69 HydrophobicContact CD2-CD2 4.26Å; L64-Y69 HydrophobicContact CD2-CE1 4.16Å; L64-Y69 HydrophobicContact CD2-CG 3.85Å; L64-Y69 HydrophobicContact CG-CD1 4.17Å; L64-Y69 VanDerWaalsContact O-CB 3.26Å; L64-Y69 WeakPolarHBondContact O-CB 3.46Å; L64-Y69 PolarHBondContact O-N 3.43Å; Y69-F73 HydrophobicContact CD2-CB 3.98Å; Y69-F73 HydrophobicContact CD2-CD1 4.03Å; Y69-F73 HydrophobicContact CD2-CG 4.42Å; Y69-F73 HydrophobicContact CE2-CB 4.31Å; Y69-F73 AromaticContact CE2-CD1 3.5Å; Y69-F73 HydrophobicContact CE2-CD1 3.5Å; Y69-F73 VanDerWaalsContact CE2-CD1 3.5Å; Y69-F73 HydrophobicContact CE2-CE1 4.24Å; Y69-F73 HydrophobicContact CE2-CG 4.31Å; Y69-F73 PolarHBondContact O-N 3.03Å; Y69-L74 HydrophobicContact CD1-CD1 3.49Å; Y69-L74 VanDerWaalsContact CD1-CD1 3.49Å; Y69-L74 HydrophobicContact CD1-CD2 4.38Å; Y69-L74 HydrophobicContact CD1-CG 3.83Å; Y69-L74 HydrophobicContact CD2-CG 4.17Å; Y69-L74 HydrophobicContact CE1-CD1 3.49Å; Y69-L74 VanDerWaalsContact CE1-CD1 3.49Å; Y69-L74 HydrophobicContact CE1-CD2 3.71Å; Y69-L74 HydrophobicContact CE1-CG 3.67Å; Y69-L74 HydrophobicContact CE2-CD2 4Å; Y69-L74 HydrophobicContact CE2-CG 4.05Å; Y69-L74 HydrophobicContact CG-CD1 4.12Å; Y69-L74 HydrophobicContact CG-CG 4.07Å; Y69-L74 VanDerWaalsContact CZ-CD2 3.47Å; Y69-L74 PolarHBondContact O-N 3.15Å; Y69-M94 HydrophobicContact CD1-CG 4.11Å; Y69-M94 HydrophobicContact CD1-SD 4.25Å |
| 70 | L | 93.2 | Very high | 88.4 | Confident | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 12% | 0.115 | C | C | . | . | I | π-helix | trans | -67.7 | -52.7 | 178.2 | 179.2 | 60.2 | 0 | 0 | 0 | 112.1 | Q68 L74 W75 I91 M94 V95 K98 V105 I108 | Q68-L70 VanDerWaalsContact C-N 3.31Å; Q68-L70 PolarHBondContact O-N 3.43Å; L70-L74 HydrophobicContact CD1-CB 4.31Å; L70-L74 HydrophobicContact CD1-CD1 4.44Å; L70-W75 HydrophobicContact CD1-CB 4.18Å; L70-W75 WeakPolarHBondContact O-CB 3.24Å; L70-W75 PolarHBondContact O-N 3.29Å; L70-I91 HydrophobicContact CD1-CB 4.33Å; L70-I91 HydrophobicContact CD1-CG1 4.14Å; L70-I91 HydrophobicContact CD1-CG2 3.93Å; L70-M94 HydrophobicContact CB-CB 3.86Å; L70-M94 HydrophobicContact CB-CG 4.27Å; L70-M94 HydrophobicContact CD1-CB 4.47Å; L70-M94 HydrophobicContact CD2-CB 4.17Å; L70-M94 HydrophobicContact CG-CB 4.38Å; L70-V95 HydrophobicContact CD2-CG2 4.08Å; L70-K98 HydrophobicContact CD2-CD 3.91Å; L70-V105 HydrophobicContact CD2-CG2 3.96Å; L70-I108 HydrophobicContact CD2-CD1 3.87Å; L70-I108 HydrophobicContact CG-CD1 4.27Å |
| 71 | E | 86.3 | Confident | 88.6 | Confident | 43 Ų | 43 | 28.4 Ų | 28.4 | 20% | 0.201 | 14% | 0.141 | C | C | . | . | I | π-helix | trans | -69.9 | -36.6 | -171.9 | -70.2 | 85.2 | 166.1 | 0 | 0 | 113.6 | Q68 P76 K98 I108 | Q68-E71 HydrophobicContact CB-CB 4.42Å; Q68-E71 PolarHBondContact O-N 2.89Å; E71-P76 WeakPolarHBondContact O-CD 3.36Å; E71-P76 WeakPolarHBondContact O-CG 3.14Å; E71-K98 WeakPolarHBondContact OE1-CE 2.88Å; E71-K98 IonicContact OE1-NZ 3.37Å; E71-K98 PolarHBondContact OE1-NZ 3.03Å; E71-K98 IonicContact OE2-NZ 2.67Å; E71-K98 PolarHBondContact OE2-NZ 3.46Å; E71-I108 HydrophobicContact CG-CD1 3.64Å; E71-I108 HydrophobicContact CG-CG1 4.09Å |
| 72 | R | 87.5 | Confident | 88.9 | Confident | 95 Ų | 95 | 33.5 Ų | 33.5 | 36% | 0.358 | 17% | 0.173 | S | C | . | . | I | π-helix | trans | -105 | -26.5 | -171.2 | -66.4 | -168 | 172.1 | -138.9 | -1 | 114.3 | W28 Q68 | W28-R72 HydrophobicContact CB-CB 4Å; W28-R72 HydrophobicContact CG-CB 4.46Å; W28-R72 WeakPolarHBondContact O-CD 3.17Å; Q68-R72 HydrophobicContact CB-CG 4.1Å; Q68-R72 PolarHBondContact O-N 2.81Å |
| 73 | F | 94 | Very high | 89.7 | Confident | 3 Ų | 3 | 31.4 Ų | 31.4 | 1% | 0.013 | 16% | 0.163 | C | C | . | . | I | π-helix | trans | -121.5 | -45.2 | -171.6 | -159.7 | -108.9 | 0 | 0 | 0 | 114 | Y27 W28 F38 V42 V43 Y69 N77 | Y27-F73 HydrophobicContact CD1-CE2 4.13Å; Y27-F73 HydrophobicContact CD1-CZ 4.25Å; Y27-F73 HydrophobicContact CG-CE2 4.23Å; Y27-F73 HydrophobicContact CG-CZ 4.34Å; W28-F73 HydrophobicContact CB-CB 3.85Å; W28-F73 HydrophobicContact CB-CD2 3.89Å; W28-F73 HydrophobicContact CB-CG 4.22Å; W28-F73 HydrophobicContact CD2-CB 3.75Å; W28-F73 HydrophobicContact CD2-CD1 4.48Å; W28-F73 HydrophobicContact CD2-CD2 4.16Å; W28-F73 AromaticContact CD2-CG 3.89Å; W28-F73 HydrophobicContact CD2-CG 3.89Å; W28-F73 HydrophobicContact CE3-CB 3.91Å; W28-F73 AromaticContact CE3-CD1 3.83Å; W28-F73 HydrophobicContact CE3-CD1 3.83Å; W28-F73 AromaticContact CE3-CD2 3.61Å; W28-F73 HydrophobicContact CE3-CD2 3.61Å; W28-F73 HydrophobicContact CE3-CE1 4.15Å; W28-F73 AromaticContact CE3-CE2 3.99Å; W28-F73 HydrophobicContact CE3-CE2 3.99Å; W28-F73 AromaticContact CE3-CG 3.5Å; W28-F73 HydrophobicContact CE3-CG 3.5Å; W28-F73 VanDerWaalsContact CE3-CG 3.5Å; W28-F73 HydrophobicContact CE3-CZ 4.22Å; W28-F73 HydrophobicContact CG-CB 3.7Å; W28-F73 HydrophobicContact CG-CD2 4.29Å; W28-F73 HydrophobicContact CG-CG 4.19Å; W28-F73 HydrophobicContact CZ3-CD1 4.09Å; W28-F73 HydrophobicContact CZ3-CE1 4.17Å; W28-F73 HydrophobicContact CZ3-CG 4.23Å; W28-F73 HydrophobicContact CZ3-CZ 4.45Å; F38-F73 HydrophobicContact CD2-CD1 4.4Å; F38-F73 HydrophobicContact CD2-CD2 4.17Å; F38-F73 HydrophobicContact CD2-CE1 4.04Å; F38-F73 AromaticContact CD2-CE2 3.75Å; F38-F73 HydrophobicContact CD2-CE2 3.75Å; F38-F73 HydrophobicContact CD2-CG 4.5Å; F38-F73 AromaticContact CD2-CZ 3.71Å; F38-F73 HydrophobicContact CD2-CZ 3.71Å; F38-F73 HydrophobicContact CE2-CD1 4.31Å; F38-F73 HydrophobicContact CE2-CE1 4Å; F38-F73 HydrophobicContact CE2-CZ 4.12Å; V42-F73 HydrophobicContact CB-CE1 4.24Å; V42-F73 HydrophobicContact CB-CZ 4.14Å; V42-F73 HydrophobicContact CG1-CE1 3.98Å; V42-F73 HydrophobicContact CG1-CZ 4.02Å; V43-F73 HydrophobicContact CG2-CD1 4.02Å; V43-F73 HydrophobicContact CG2-CE1 3.64Å; Y69-F73 HydrophobicContact CD2-CB 3.98Å; Y69-F73 HydrophobicContact CD2-CD1 4.03Å; Y69-F73 HydrophobicContact CD2-CG 4.42Å; Y69-F73 HydrophobicContact CE2-CB 4.31Å; Y69-F73 AromaticContact CE2-CD1 3.5Å; Y69-F73 HydrophobicContact CE2-CD1 3.5Å; Y69-F73 VanDerWaalsContact CE2-CD1 3.5Å; Y69-F73 HydrophobicContact CE2-CE1 4.24Å; Y69-F73 HydrophobicContact CE2-CG 4.31Å; Y69-F73 PolarHBondContact O-N 3.03Å; F73-N77 WeakPolarHBondContact O-CB 3.49Å; F73-N77 PolarHBondContact O-ND2 2.71Å |
| 74 | L | 96.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.179 | C | C | . | . | I | π-helix | trans | -77.7 | -64.6 | -177 | -67 | 176.5 | 0 | 0 | 0 | 112.7 | V43 Y69 L70 N77 Y78 H87 I91 M94 | V43-L74 HydrophobicContact CG1-CD2 3.81Å; V43-L74 HydrophobicContact CG2-CD2 4.12Å; Y69-L74 HydrophobicContact CD1-CD1 3.49Å; Y69-L74 VanDerWaalsContact CD1-CD1 3.49Å; Y69-L74 HydrophobicContact CD1-CD2 4.38Å; Y69-L74 HydrophobicContact CD1-CG 3.83Å; Y69-L74 HydrophobicContact CD2-CG 4.17Å; Y69-L74 HydrophobicContact CE1-CD1 3.49Å; Y69-L74 VanDerWaalsContact CE1-CD1 3.49Å; Y69-L74 HydrophobicContact CE1-CD2 3.71Å; Y69-L74 HydrophobicContact CE1-CG 3.67Å; Y69-L74 HydrophobicContact CE2-CD2 4Å; Y69-L74 HydrophobicContact CE2-CG 4.05Å; Y69-L74 HydrophobicContact CG-CD1 4.12Å; Y69-L74 HydrophobicContact CG-CG 4.07Å; Y69-L74 VanDerWaalsContact CZ-CD2 3.47Å; Y69-L74 PolarHBondContact O-N 3.15Å; L70-L74 HydrophobicContact CD1-CB 4.31Å; L70-L74 HydrophobicContact CD1-CD1 4.44Å; L74-N77 CarbonylContact O-C 3.57Å; L74-N77 PolarHBondContact O-N 2.83Å; L74-Y78 WeakPolarHBondContact O-CB 3.46Å; L74-Y78 PolarHBondContact O-N 3.4Å; L74-Y78 VanDerWaalsContact O-N 3.1Å; L74-H87 PolarHBondContact O-NE2 3.43Å; L74-I91 HydrophobicContact CB-CD1 4.47Å; L74-I91 HydrophobicContact CB-CG1 3.79Å; L74-I91 HydrophobicContact CD1-CG1 4.07Å; L74-I91 HydrophobicContact CG-CG1 4.44Å; L74-M94 HydrophobicContact CD1-CG 3.95Å |
| 75 | W | 95.5 | Very high | 90.5 | Very high | 4 Ų | 4 | 36 Ų | 36 | 2% | 0.015 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -44.2 | -171.2 | 178.8 | -113.7 | 0 | 0 | 0 | 113.7 | L70 N77 Y78 I91 I108 F109 S111 R112 Q115 F116 M119 | L70-W75 HydrophobicContact CD1-CB 4.18Å; L70-W75 WeakPolarHBondContact O-CB 3.24Å; L70-W75 PolarHBondContact O-N 3.29Å; W75-N77 PolarHBondContact O-N 3.13Å; W75-N77 VanDerWaalsContact O-N 3.15Å; W75-Y78 HydrophobicContact CE3-CD1 4.36Å; W75-Y78 HydrophobicContact CE3-CG 4.49Å; W75-Y78 AromaticContact CZ3-CD1 3.89Å; W75-Y78 HydrophobicContact CZ3-CD1 3.89Å; W75-Y78 HydrophobicContact CZ3-CG 4.45Å; W75-Y78 PolarHBondContact O-N 3.4Å; W75-Y78 VanDerWaalsContact O-N 3.16Å; W75-I91 HydrophobicContact CE3-CD1 4.36Å; W75-I108 HydrophobicContact CB-CG2 3.99Å; W75-I108 VanDerWaalsContact CD1-CG2 3.4Å; W75-I108 HydrophobicContact CG-CG2 3.78Å; W75-I108 PolarHBondContact NE1-O 3.08Å; W75-F109 AromaticContact CD2-CD1 3.62Å; W75-F109 HydrophobicContact CD2-CD1 3.62Å; W75-F109 AromaticContact CD2-CE1 3.78Å; W75-F109 HydrophobicContact CD2-CE1 3.78Å; W75-F109 AromaticContact CE2-CD1 3.56Å; W75-F109 AromaticContact CE3-CD1 3.66Å; W75-F109 HydrophobicContact CE3-CD1 3.66Å; W75-F109 AromaticContact CE3-CE1 3.56Å; W75-F109 HydrophobicContact CE3-CE1 3.56Å; W75-F109 HydrophobicContact CG-CD1 4.37Å; W75-F109 HydrophobicContact CG-CE1 4.39Å; W75-F109 AromaticContact CH2-CD1 3.63Å; W75-F109 HydrophobicContact CH2-CD1 3.63Å; W75-F109 HydrophobicContact CH2-CE1 4.26Å; W75-F109 HydrophobicContact CZ2-CB 4.24Å; W75-F109 AromaticContact CZ2-CD1 3.55Å; W75-F109 HydrophobicContact CZ2-CD1 3.55Å; W75-F109 HydrophobicContact CZ2-CE1 4.43Å; W75-F109 HydrophobicContact CZ2-CG 4.38Å; W75-F109 AromaticContact CZ3-CD1 3.68Å; W75-F109 HydrophobicContact CZ3-CD1 3.68Å; W75-F109 AromaticContact CZ3-CE1 3.83Å; W75-F109 HydrophobicContact CZ3-CE1 3.83Å; W75-S111 PolarHBondContact NE1-OG 2.71Å; W75-R112 HydrophobicContact CZ2-CB 3.75Å; W75-Q115 HydrophobicContact CH2-CB 3.95Å; W75-Q115 HydrophobicContact CZ2-CB 4.45Å; W75-F116 HydrophobicContact CH2-CB 3.93Å; W75-F116 HydrophobicContact CZ2-CB 4.37Å; W75-M119 HydrophobicContact CE3-SD 4.48Å; W75-M119 HydrophobicContact CZ3-SD 3.86Å |
| 76 | P | 93.2 | Very high | 91.2 | Very high | 56 Ų | 56 | 38.8 Ų | 38.8 | 36% | 0.364 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -30.7 | 177.8 | -26 | 35.7 | 0 | 0 | 0 | 113.5 | E71 R112 | E71-P76 WeakPolarHBondContact O-CD 3.36Å; E71-P76 WeakPolarHBondContact O-CG 3.14Å; P76-R112 PolarHBondContact O-NH1 3.04Å |
| 77 | N | 95.2 | Very high | 92.3 | Very high | 54 Ų | 54 | 36.6 Ų | 36.6 | 29% | 0.289 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.4 | 11 | -177 | -56.9 | -66.9 | 0 | 0 | 0 | 113.4 | F38 F73 L74 W75 H87 | F38-N77 HydrophobicContact CB-CB 4.34Å; F38-N77 HydrophobicContact CD1-CB 3.71Å; F38-N77 HydrophobicContact CD2-CB 3.42Å; F38-N77 VanDerWaalsContact CD2-CB 3.42Å; F38-N77 VanDerWaalsContact CD2-CG 3.42Å; F38-N77 WeakPolarHBondContact CD2-ND2 3.47Å; F38-N77 HydrophobicContact CE1-CB 3.76Å; F38-N77 HydrophobicContact CE2-CB 3.48Å; F38-N77 VanDerWaalsContact CE2-CB 3.48Å; F38-N77 HydrophobicContact CG-CB 3.54Å; F38-N77 VanDerWaalsContact CG-CG 3.41Å; F38-N77 HydrophobicContact CZ-CB 3.66Å; F73-N77 WeakPolarHBondContact O-CB 3.49Å; F73-N77 PolarHBondContact O-ND2 2.71Å; L74-N77 CarbonylContact O-C 3.57Å; L74-N77 PolarHBondContact O-N 2.83Å; W75-N77 PolarHBondContact O-N 3.13Å; W75-N77 VanDerWaalsContact O-N 3.15Å; N77-H87 PolarHBondContact O-CE1 3.31Å |
| 78 | Y | 96.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 20% | 0.197 | C | C | . | . | trans | -83.2 | 130.8 | 178.1 | -175.8 | -96 | 0 | 0 | 0 | 111.5 | L74 W75 A80 H87 L88 I91 R112 M119 | L74-Y78 WeakPolarHBondContact O-CB 3.46Å; L74-Y78 PolarHBondContact O-N 3.4Å; L74-Y78 VanDerWaalsContact O-N 3.1Å; W75-Y78 HydrophobicContact CE3-CD1 4.36Å; W75-Y78 HydrophobicContact CE3-CG 4.49Å; W75-Y78 AromaticContact CZ3-CD1 3.89Å; W75-Y78 HydrophobicContact CZ3-CD1 3.89Å; W75-Y78 HydrophobicContact CZ3-CG 4.45Å; W75-Y78 PolarHBondContact O-N 3.4Å; W75-Y78 VanDerWaalsContact O-N 3.16Å; Y78-A80 HydrophobicContact CE1-CB 3.95Å; Y78-H87 AromaticContact CD2-CD2 3.78Å; Y78-H87 AromaticContact CD2-NE2 3.9Å; Y78-L88 HydrophobicContact CE2-CB 4.28Å; Y78-L88 HydrophobicContact CE2-CD1 4.46Å; Y78-I91 HydrophobicContact CD1-CD1 4.46Å; Y78-I91 HydrophobicContact CD2-CD1 3.36Å; Y78-I91 HydrophobicContact CE2-CD1 3.98Å; Y78-I91 HydrophobicContact CG-CD1 3.64Å; Y78-R112 PolarHBondContact O-NH1 2.75Å; Y78-R112 VanDerWaalsContact O-NH1 3.13Å; Y78-R112 PolarHBondContact O-NH2 2.89Å; Y78-M119 HydrophobicContact CE1-CB 3.64Å; Y78-M119 HydrophobicContact CE1-CG 3.7Å; Y78-M119 HydrophobicContact CE1-SD 4.32Å | ||
| 79 | E | 96.1 | Very high | 93.9 | Very high | 73 Ų | 73 | 36 Ų | 36 | 34% | 0.341 | 19% | 0.194 | S | C | . | . | trans | -131.6 | 113.4 | 173.3 | -68.4 | -58.6 | 155.1 | 0 | 0 | 108.6 | D81 T82 S83 R112 Q115 | E79-D81 PolarHBondContact O-N 2.81Å; E79-T82 VanDerWaalsContact CB-OG1 3.29Å; E79-T82 WeakPolarHBondContact CB-OG1 3.35Å; E79-T82 PolarHBondContact O-N 2.84Å; E79-T82 VanDerWaalsContact O-N 3.14Å; E79-S83 PolarHBondContact N-OG 3.43Å; E79-S83 WeakPolarHBondContact O-CB 3.48Å; E79-S83 PolarHBondContact O-N 3.45Å; E79-S83 PolarHBondContact O-OG 3.02Å; E79-R112 VanDerWaalsContact CD-NH2 3.26Å; E79-R112 IonicContact OE1-CZ 3.54Å; E79-R112 IonicContact OE1-NH1 3.24Å; E79-R112 IonicContact OE1-NH2 3.51Å; E79-R112 PolarHBondContact OE1-NH2 2.94Å; E79-R112 IonicContact OE2-NH2 3.93Å; E79-R112 PolarHBondContact OE2-NH2 3.32Å; E79-Q115 PolarHBondContact OE2-NE2 3.33Å | ||
| 80 | A | 91.9 | Very high | 94.1 | Very high | 7 Ų | 7 | 36 Ų | 36 | 6% | 0.058 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -34.5 | -169 | 0 | 0 | 0 | 0 | 0 | 114 | Y78 R118 K122 | Y78-A80 HydrophobicContact CE1-CB 3.95Å; A80-R118 HydrophobicContact CB-CB 3.37Å; A80-R118 HydrophobicContact CB-CG 4.49Å; A80-K122 PolarHBondContact O-NZ 3Å |
| 81 | D | 91.3 | Very high | 94.3 | Very high | 120 Ų | 120 | 36 Ų | 36 | 64% | 0.642 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | -24.5 | -174.6 | -58.6 | -41.8 | 0 | 0 | 0 | 113.1 | E79 R118 | E79-D81 PolarHBondContact O-N 2.81Å; D81-R118 IonicContact OD2-NH1 3.39Å; D81-R118 PolarHBondContact OD2-NH1 2.93Å |
| 82 | T | 93.7 | Very high | 94.8 | Very high | 118 Ų | 118 | 34 Ų | 34 | 72% | 0.724 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -120 | -28.2 | -174.6 | 57.1 | 0 | 0 | 0 | 0 | 114.4 | E79 | E79-T82 VanDerWaalsContact CB-OG1 3.29Å; E79-T82 WeakPolarHBondContact CB-OG1 3.35Å; E79-T82 PolarHBondContact O-N 2.84Å; E79-T82 VanDerWaalsContact O-N 3.14Å |
| 83 | S | 95.2 | Very high | 95.2 | Very high | 14 Ų | 14 | 29.8 Ų | 29.8 | 10% | 0.098 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -62.1 | 142.5 | 178.4 | -71.5 | 0 | 0 | 0 | 0 | 111.3 | E79 H87 K122 | E79-S83 PolarHBondContact N-OG 3.43Å; E79-S83 WeakPolarHBondContact O-CB 3.48Å; E79-S83 PolarHBondContact O-N 3.45Å; E79-S83 PolarHBondContact O-OG 3.02Å; S83-H87 PolarHBondContact OG-ND1 2.86Å; S83-K122 PolarHBondContact O-NZ 3.44Å |
| 84 | S | 94.4 | Very high | 95.3 | Very high | 48 Ų | 48 | 29.7 Ų | 29.7 | 34% | 0.336 | 17% | 0.169 | S | C | . | . | trans | -73.2 | 172.1 | -178.7 | 80 | 0 | 0 | 0 | 0 | 112.9 | E86 H87 L88 | S84-E86 VanDerWaalsContact C-N 3.3Å; S84-E86 WeakPolarHBondContact CB-OE2 3.35Å; S84-E86 PolarHBondContact OG-N 3.07Å; S84-E86 PolarHBondContact OG-OE2 2.95Å; S84-H87 PolarHBondContact O-N 3.37Å; S84-H87 PolarHBondContact OG-N 3.44Å; S84-L88 PolarHBondContact O-N 3.08Å | ||
| 85 | V | 93 | Very high | 95.2 | Very high | 52 Ų | 52 | 29.7 Ų | 29.7 | 32% | 0.315 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -68.3 | -33.5 | 176.2 | 176.6 | 0 | 0 | 0 | 0 | 110.6 | H87 L88 L89 L133 | V85-H87 VanDerWaalsContact C-N 3.34Å; V85-H87 PolarHBondContact O-N 3.42Å; V85-L88 WeakPolarHBondContact O-CB 3.39Å; V85-L88 PolarHBondContact O-N 3.49Å; V85-L89 HydrophobicContact CG1-CD1 3.78Å; V85-L89 HydrophobicContact CG1-CG 4.09Å; V85-L89 WeakPolarHBondContact O-CB 3.41Å; V85-L89 WeakPolarHBondContact O-CG 3.41Å; V85-L89 PolarHBondContact O-N 3.19Å; V85-L133 HydrophobicContact CG1-CD2 4.47Å |
| 86 | E | 94.7 | Very high | 95 | Very high | 64 Ų | 64 | 30.4 Ų | 30.4 | 30% | 0.299 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -61.8 | -40.4 | 175.3 | -57.7 | 77.5 | -167.7 | 0 | 0 | 111.6 | Y47 S84 S90 | Y47-E86 HydrophobicContact CD1-CB 3.53Å; Y47-E86 HydrophobicContact CD1-CG 3.4Å; Y47-E86 HydrophobicContact CD2-CB 4.45Å; Y47-E86 HydrophobicContact CE1-CB 4.21Å; Y47-E86 HydrophobicContact CE1-CG 3.91Å; Y47-E86 HydrophobicContact CG-CB 3.67Å; Y47-E86 HydrophobicContact CG-CG 4.09Å; S84-E86 VanDerWaalsContact C-N 3.3Å; S84-E86 WeakPolarHBondContact CB-OE2 3.35Å; S84-E86 PolarHBondContact OG-N 3.07Å; S84-E86 PolarHBondContact OG-OE2 2.95Å; E86-S90 VanDerWaalsContact O-CB 3.31Å; E86-S90 WeakPolarHBondContact O-CB 3.39Å; E86-S90 PolarHBondContact O-N 3.15Å; E86-S90 PolarHBondContact O-OG 2.84Å |
| 87 | H | 97.5 | Very high | 94.8 | Very high | 4 Ų | 4 | 28.3 Ų | 28.3 | 2% | 0.019 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64.6 | -45.4 | 174.9 | -166.2 | 162 | 0 | 0 | 0 | 110.8 | F38 V43 L74 N77 Y78 S83 S84 V85 S90 I91 | F38-H87 AromaticContact CZ-CE1 3.64Å; V43-H87 HydrophobicContact CG1-CB 3.86Å; L74-H87 PolarHBondContact O-NE2 3.43Å; N77-H87 PolarHBondContact O-CE1 3.31Å; Y78-H87 AromaticContact CD2-CD2 3.78Å; Y78-H87 AromaticContact CD2-NE2 3.9Å; S83-H87 PolarHBondContact OG-ND1 2.86Å; S84-H87 PolarHBondContact O-N 3.37Å; S84-H87 PolarHBondContact OG-N 3.44Å; V85-H87 VanDerWaalsContact C-N 3.34Å; V85-H87 PolarHBondContact O-N 3.42Å; H87-S90 PolarHBondContact O-N 2.75Å; H87-I91 PolarHBondContact O-N 3.24Å; H87-I91 VanDerWaalsContact O-N 3.14Å |
| 88 | L | 96.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -58.7 | -52.8 | 175 | 173.7 | 64.8 | 0 | 0 | 0 | 111.4 | Y78 S84 V85 S90 I91 L92 M119 K122 V123 V126 | Y78-L88 HydrophobicContact CE2-CB 4.28Å; Y78-L88 HydrophobicContact CE2-CD1 4.46Å; S84-L88 PolarHBondContact O-N 3.08Å; V85-L88 WeakPolarHBondContact O-CB 3.39Å; V85-L88 PolarHBondContact O-N 3.49Å; L88-S90 VanDerWaalsContact C-N 3.3Å; L88-S90 PolarHBondContact O-N 3.42Å; L88-I91 WeakPolarHBondContact O-CB 3.5Å; L88-I91 PolarHBondContact O-N 3.37Å; L88-L92 HydrophobicContact CD1-CD2 4.22Å; L88-L92 HydrophobicContact CD1-CG 4.47Å; L88-L92 WeakPolarHBondContact O-CG 3.41Å; L88-L92 PolarHBondContact O-N 3.47Å; L88-M119 HydrophobicContact CD1-CG 3.47Å; L88-M119 VanDerWaalsContact CD1-CG 3.47Å; L88-M119 HydrophobicContact CD1-SD 4.17Å; L88-K122 HydrophobicContact CD2-CB 4.25Å; L88-K122 HydrophobicContact CD2-CD 4.1Å; L88-K122 HydrophobicContact CD2-CG 3.89Å; L88-V123 HydrophobicContact CD1-CG2 3.79Å; L88-V123 HydrophobicContact CD2-CG2 4.25Å; L88-V123 HydrophobicContact CG-CG2 4.43Å; L88-V126 HydrophobicContact CD2-CG2 4.13Å |
| 89 | L | 96.4 | Very high | 93.7 | Very high | 1 Ų | 1 | 28.3 Ų | 28.3 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -64.2 | -35.1 | -177.5 | -68.3 | 173.6 | 0 | 0 | 0 | 112 | Y47 V85 I91 L92 V93 L133 E137 V141 | Y47-L89 HydrophobicContact CD2-CB 4.4Å; Y47-L89 HydrophobicContact CE2-CB 3.55Å; Y47-L89 HydrophobicContact CE2-CD1 4.29Å; Y47-L89 WeakPolarHBondContact OH-CD1 3.35Å; V85-L89 HydrophobicContact CG1-CD1 3.78Å; V85-L89 HydrophobicContact CG1-CG 4.09Å; V85-L89 WeakPolarHBondContact O-CB 3.41Å; V85-L89 WeakPolarHBondContact O-CG 3.41Å; V85-L89 PolarHBondContact O-N 3.19Å; L89-I91 VanDerWaalsContact C-N 3.32Å; L89-I91 PolarHBondContact O-N 3.4Å; L89-L92 HydrophobicContact CD2-CD1 4.19Å; L89-L92 PolarHBondContact O-N 3.15Å; L89-V93 VanDerWaalsContact O-CG2 3.32Å; L89-V93 WeakPolarHBondContact O-CG2 3.36Å; L89-V93 PolarHBondContact O-N 3.08Å; L89-L133 HydrophobicContact CD1-CD2 3.65Å; L89-L133 HydrophobicContact CD2-CD2 4.02Å; L89-L133 HydrophobicContact CG-CD2 4.38Å; L89-E137 HydrophobicContact CD1-CB 4.26Å; L89-E137 HydrophobicContact CD1-CG 4.18Å; L89-V141 HydrophobicContact CD2-CG2 3.94Å |
| 90 | S | 97.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -59.4 | -42.2 | 171.5 | -61 | 0 | 0 | 0 | 0 | 111.7 | Y47 E86 H87 L88 V93 M94 | Y47-S90 WeakPolarHBondContact CD2-OG 3.08Å; E86-S90 VanDerWaalsContact O-CB 3.31Å; E86-S90 WeakPolarHBondContact O-CB 3.39Å; E86-S90 PolarHBondContact O-N 3.15Å; E86-S90 PolarHBondContact O-OG 2.84Å; H87-S90 PolarHBondContact O-N 2.75Å; L88-S90 VanDerWaalsContact C-N 3.3Å; L88-S90 PolarHBondContact O-N 3.42Å; S90-V93 PolarHBondContact O-N 3.13Å; S90-M94 WeakPolarHBondContact O-CG 3.16Å; S90-M94 PolarHBondContact O-N 3.37Å; S90-M94 VanDerWaalsContact O-N 3.11Å |
| 91 | I | 97.6 | Very high | 92 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60.9 | -47.4 | 173.6 | -68.8 | 167.3 | 0 | 0 | 0 | 110.3 | L70 L74 W75 Y78 H87 L88 L89 V93 M94 V95 F109 M119 | L70-I91 HydrophobicContact CD1-CB 4.33Å; L70-I91 HydrophobicContact CD1-CG1 4.14Å; L70-I91 HydrophobicContact CD1-CG2 3.93Å; L74-I91 HydrophobicContact CB-CD1 4.47Å; L74-I91 HydrophobicContact CB-CG1 3.79Å; L74-I91 HydrophobicContact CD1-CG1 4.07Å; L74-I91 HydrophobicContact CG-CG1 4.44Å; W75-I91 HydrophobicContact CE3-CD1 4.36Å; Y78-I91 HydrophobicContact CD1-CD1 4.46Å; Y78-I91 HydrophobicContact CD2-CD1 3.36Å; Y78-I91 HydrophobicContact CE2-CD1 3.98Å; Y78-I91 HydrophobicContact CG-CD1 3.64Å; H87-I91 PolarHBondContact O-N 3.24Å; H87-I91 VanDerWaalsContact O-N 3.14Å; L88-I91 WeakPolarHBondContact O-CB 3.5Å; L88-I91 PolarHBondContact O-N 3.37Å; L89-I91 VanDerWaalsContact C-N 3.32Å; L89-I91 PolarHBondContact O-N 3.4Å; I91-V93 PolarHBondContact O-N 2.83Å; I91-M94 PolarHBondContact O-N 2.96Å; I91-V95 HydrophobicContact CG2-CG2 4.15Å; I91-V95 VanDerWaalsContact O-CG2 3.27Å; I91-V95 WeakPolarHBondContact O-CG2 3.3Å; I91-V95 PolarHBondContact O-N 3.48Å; I91-F109 HydrophobicContact CG2-CE1 4.19Å; I91-F109 HydrophobicContact CG2-CZ 4.12Å; I91-M119 HydrophobicContact CD1-SD 4.39Å; I91-M119 HydrophobicContact CG2-SD 3.97Å |
| 92 | L | 97.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -62.2 | -42 | -178.6 | -53.8 | -167.5 | 0 | 0 | 0 | 112.1 | L88 L89 M94 V95 N96 V123 I140 V141 F144 | L88-L92 HydrophobicContact CD1-CD2 4.22Å; L88-L92 HydrophobicContact CD1-CG 4.47Å; L88-L92 WeakPolarHBondContact O-CG 3.41Å; L88-L92 PolarHBondContact O-N 3.47Å; L89-L92 HydrophobicContact CD2-CD1 4.19Å; L89-L92 PolarHBondContact O-N 3.15Å; L92-M94 PolarHBondContact O-N 3.33Å; L92-V95 PolarHBondContact O-N 3.01Å; L92-N96 WeakPolarHBondContact O-CB 3.35Å; L92-N96 PolarHBondContact O-N 3.17Å; L92-N96 PolarHBondContact O-ND2 3.45Å; L92-N96 PolarHBondContact O-OD1 2.92Å; L92-V123 HydrophobicContact CD1-CG1 4.44Å; L92-V123 HydrophobicContact CD1-CG2 4.17Å; L92-V123 HydrophobicContact CD2-CG2 3.91Å; L92-I140 HydrophobicContact CB-CG2 3.63Å; L92-V141 HydrophobicContact CD1-CG2 3.86Å; L92-F144 HydrophobicContact CB-CB 4.42Å; L92-F144 HydrophobicContact CD1-CB 4.44Å; L92-F144 HydrophobicContact CD1-CG 4.49Å; L92-F144 HydrophobicContact CD2-CB 4.38Å; L92-F144 HydrophobicContact CD2-CD1 3.9Å; L92-F144 HydrophobicContact CD2-CD2 3.67Å; L92-F144 HydrophobicContact CD2-CE1 4.04Å; L92-F144 HydrophobicContact CD2-CE2 3.8Å; L92-F144 HydrophobicContact CD2-CG 3.71Å; L92-F144 HydrophobicContact CD2-CZ 3.98Å; L92-F144 HydrophobicContact CG-CG 4.45Å |
| 93 | V | 95.8 | Very high | 89.9 | Confident | 7 Ų | 7 | 24.1 Ų | 24.1 | 4% | 0.042 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -57.6 | -48.8 | 175.3 | 169.5 | 0 | 0 | 0 | 0 | 110.5 | F56 I61 L89 S90 I91 V95 N96 E97 I140 | F56-V93 HydrophobicContact CD1-CG2 3.88Å; F56-V93 HydrophobicContact CE1-CG2 3.91Å; I61-V93 HydrophobicContact CD1-CG1 3.77Å; I61-V93 HydrophobicContact CG1-CG1 3.87Å; I61-V93 HydrophobicContact CG2-CG1 4.21Å; L89-V93 VanDerWaalsContact O-CG2 3.32Å; L89-V93 WeakPolarHBondContact O-CG2 3.36Å; L89-V93 PolarHBondContact O-N 3.08Å; S90-V93 PolarHBondContact O-N 3.13Å; I91-V93 PolarHBondContact O-N 2.83Å; V93-V95 PolarHBondContact O-N 3.4Å; V93-N96 PolarHBondContact O-N 3.28Å; V93-E97 WeakPolarHBondContact O-CB 3.44Å; V93-E97 PolarHBondContact O-N 3.41Å; V93-I140 HydrophobicContact CG2-CD1 3.58Å; V93-I140 HydrophobicContact CG2-CG1 4.17Å; V93-I140 HydrophobicContact CG2-CG2 3.97Å |
| 94 | M | 94.8 | Very high | 88.8 | Confident | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -67.2 | -35.9 | 179.9 | -62.6 | -46.4 | -58.4 | 0 | 0 | 112.5 | I61 L64 E65 Y69 L70 L74 S90 I91 L92 E97 K98 | I61-M94 HydrophobicContact CG2-SD 4.27Å; L64-M94 HydrophobicContact CB-CE 4.08Å; L64-M94 HydrophobicContact CB-SD 3.89Å; L64-M94 HydrophobicContact CD1-SD 4.43Å; E65-M94 HydrophobicContact CB-CE 3.73Å; E65-M94 VanDerWaalsContact OE2-CE 3.29Å; E65-M94 WeakPolarHBondContact OE2-CE 3.15Å; Y69-M94 HydrophobicContact CD1-CG 4.11Å; Y69-M94 HydrophobicContact CD1-SD 4.25Å; L70-M94 HydrophobicContact CB-CB 3.86Å; L70-M94 HydrophobicContact CB-CG 4.27Å; L70-M94 HydrophobicContact CD1-CB 4.47Å; L70-M94 HydrophobicContact CD2-CB 4.17Å; L70-M94 HydrophobicContact CG-CB 4.38Å; L74-M94 HydrophobicContact CD1-CG 3.95Å; S90-M94 WeakPolarHBondContact O-CG 3.16Å; S90-M94 PolarHBondContact O-N 3.37Å; S90-M94 VanDerWaalsContact O-N 3.11Å; I91-M94 PolarHBondContact O-N 2.96Å; L92-M94 PolarHBondContact O-N 3.33Å; M94-E97 PolarHBondContact O-N 3.22Å; M94-K98 WeakPolarHBondContact O-CG 3.48Å; M94-K98 PolarHBondContact O-N 3.45Å |
| 95 | V | 94 | Very high | 88.2 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -64.6 | -48.7 | 175.2 | 171.7 | 0 | 0 | 0 | 0 | 110.8 | L70 I91 L92 V93 E97 K98 F99 V105 F109 F144 | L70-V95 HydrophobicContact CD2-CG2 4.08Å; I91-V95 HydrophobicContact CG2-CG2 4.15Å; I91-V95 VanDerWaalsContact O-CG2 3.27Å; I91-V95 WeakPolarHBondContact O-CG2 3.3Å; I91-V95 PolarHBondContact O-N 3.48Å; L92-V95 PolarHBondContact O-N 3.01Å; V93-V95 PolarHBondContact O-N 3.4Å; V95-E97 VanDerWaalsContact C-N 3.28Å; V95-E97 PolarHBondContact O-N 2.97Å; V95-K98 PolarHBondContact O-N 3.35Å; V95-F99 HydrophobicContact CG1-CD2 3.76Å; V95-F99 HydrophobicContact CG1-CE2 3.79Å; V95-F99 WeakPolarHBondContact O-CD2 3.35Å; V95-F99 PolarHBondContact O-N 2.8Å; V95-V105 HydrophobicContact CB-CG2 4.44Å; V95-V105 HydrophobicContact CG1-CG1 4.13Å; V95-V105 HydrophobicContact CG1-CG2 4.3Å; V95-V105 HydrophobicContact CG2-CG2 4.01Å; V95-F109 HydrophobicContact CG2-CE2 3.84Å; V95-F109 HydrophobicContact CG2-CZ 3.54Å; V95-F144 HydrophobicContact CB-CD2 4.15Å; V95-F144 HydrophobicContact CB-CE2 4.34Å; V95-F144 HydrophobicContact CG1-CD2 3.75Å; V95-F144 HydrophobicContact CG1-CE2 3.88Å; V95-F144 HydrophobicContact CG2-CE2 4.42Å |
| 96 | N | 93 | Very high | 87.8 | Confident | 20 Ų | 20 | 24.3 Ų | 24.3 | 11% | 0.107 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -60.6 | -40 | 178.4 | -67.3 | -9.1 | 0 | 0 | 0 | 111.2 | L92 V93 F99 R100 I140 V143 F144 H147 | L92-N96 WeakPolarHBondContact O-CB 3.35Å; L92-N96 PolarHBondContact O-N 3.17Å; L92-N96 PolarHBondContact O-ND2 3.45Å; L92-N96 PolarHBondContact O-OD1 2.92Å; V93-N96 PolarHBondContact O-N 3.28Å; N96-F99 PolarHBondContact O-N 2.84Å; N96-R100 WeakPolarHBondContact O-CB 3.23Å; N96-R100 PolarHBondContact O-N 2.87Å; N96-I140 PolarHBondContact ND2-O 3.46Å; N96-V143 HydrophobicContact CB-CG1 4.06Å; N96-F144 WeakPolarHBondContact OD1-CA 3.42Å; N96-F144 WeakPolarHBondContact OD1-CB 3.41Å; N96-F144 PolarHBondContact OD1-N 3.44Å; N96-H147 PolarHBondContact OD1-CD2 3.1Å; N96-H147 VanDerWaalsContact OD1-CD2 3.31Å |
| 97 | E | 87.8 | Confident | 86.9 | Confident | 11 Ų | 11 | 26.3 Ų | 26.3 | 5% | 0.051 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -60.2 | -47.6 | 173.9 | -176.5 | 64.8 | -152.6 | 0 | 0 | 112 | I61 V93 M94 V95 F99 R100 D101 | I61-E97 HydrophobicContact CG2-CB 3.64Å; I61-E97 HydrophobicContact CG2-CG 3.48Å; I61-E97 VanDerWaalsContact CG2-CG 3.48Å; I61-E97 WeakPolarHBondContact CG2-OE2 3.25Å; V93-E97 WeakPolarHBondContact O-CB 3.44Å; V93-E97 PolarHBondContact O-N 3.41Å; M94-E97 PolarHBondContact O-N 3.22Å; V95-E97 VanDerWaalsContact C-N 3.28Å; V95-E97 PolarHBondContact O-N 2.97Å; E97-F99 VanDerWaalsContact C-N 3.31Å; E97-F99 PolarHBondContact O-N 3.33Å; E97-R100 WeakPolarHBondContact O-CB 3.36Å; E97-R100 PolarHBondContact O-N 3.1Å; E97-R100 VanDerWaalsContact O-N 3.11Å; E97-R100 IonicContact OE1-CZ 3.78Å; E97-R100 IonicContact OE1-NE 2.62Å; E97-R100 PolarHBondContact OE1-NE 2.93Å; E97-R100 IonicContact OE1-NH2 3.29Å; E97-R100 PolarHBondContact OE1-NH2 2.81Å; E97-R100 IonicContact OE2-CZ 2.88Å; E97-R100 IonicContact OE2-NE 3.93Å; E97-R100 PolarHBondContact OE2-NE 2.89Å; E97-R100 IonicContact OE2-NH1 3.52Å; E97-R100 PolarHBondContact OE2-NH1 3.46Å; E97-R100 IonicContact OE2-NH2 3.75Å; E97-R100 PolarHBondContact OE2-NH2 2.81Å; E97-D101 PolarHBondContact O-N 2.96Å |
| 98 | K | 85.3 | Confident | 86.2 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -61.6 | -39.9 | 177.8 | -76.3 | 177.4 | -170.1 | -70.4 | 0 | 111.7 | E65 L70 E71 M94 V95 D101 R102 T103 V105 I108 | E65-K98 IonicContact OE1-NZ 3.32Å; E65-K98 PolarHBondContact OE1-NZ 3.37Å; E65-K98 WeakPolarHBondContact OE2-CE 3.48Å; E65-K98 IonicContact OE2-NZ 2.78Å; E65-K98 PolarHBondContact OE2-NZ 3.45Å; L70-K98 HydrophobicContact CD2-CD 3.91Å; E71-K98 WeakPolarHBondContact OE1-CE 2.88Å; E71-K98 IonicContact OE1-NZ 3.37Å; E71-K98 PolarHBondContact OE1-NZ 3.03Å; E71-K98 IonicContact OE2-NZ 2.67Å; E71-K98 PolarHBondContact OE2-NZ 3.46Å; M94-K98 WeakPolarHBondContact O-CG 3.48Å; M94-K98 PolarHBondContact O-N 3.45Å; V95-K98 PolarHBondContact O-N 3.35Å; K98-D101 CarbonylContact O-C 3.54Å; K98-D101 PolarHBondContact O-N 2.94Å; K98-R102 PolarHBondContact O-N 3.03Å; K98-T103 HydrophobicContact CG-CG2 4.38Å; K98-T103 PolarHBondContact O-N 3.17Å; K98-V105 HydrophobicContact CB-CB 4.12Å; K98-V105 HydrophobicContact CB-CG2 4.22Å; K98-V105 HydrophobicContact CD-CB 4.16Å; K98-V105 HydrophobicContact CD-CG2 3.67Å; K98-I108 HydrophobicContact CD-CD1 4.47Å |
| 99 | F | 84.1 | Confident | 85.8 | Confident | 54 Ų | 54 | 27.9 Ų | 27.9 | 24% | 0.237 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -62.7 | -41.9 | 172.6 | -90.2 | -76.2 | 0 | 0 | 0 | 112.7 | V95 N96 E97 D101 R102 V105 W106 H147 | V95-F99 HydrophobicContact CG1-CD2 3.76Å; V95-F99 HydrophobicContact CG1-CE2 3.79Å; V95-F99 WeakPolarHBondContact O-CD2 3.35Å; V95-F99 PolarHBondContact O-N 2.8Å; N96-F99 PolarHBondContact O-N 2.84Å; E97-F99 VanDerWaalsContact C-N 3.31Å; E97-F99 PolarHBondContact O-N 3.33Å; F99-D101 VanDerWaalsContact C-N 3.3Å; F99-D101 PolarHBondContact O-N 3.47Å; F99-R102 PolarHBondContact O-N 3.46Å; F99-V105 HydrophobicContact CD2-CG1 3.8Å; F99-V105 HydrophobicContact CE2-CG1 3.26Å; F99-V105 HydrophobicContact CZ-CG1 3.79Å; F99-W106 AromaticContact CE2-CE2 3.98Å; F99-W106 HydrophobicContact CE2-CH2 4.05Å; F99-W106 AromaticContact CE2-CZ2 3.61Å; F99-W106 HydrophobicContact CE2-CZ2 3.61Å; F99-W106 HydrophobicContact CZ-CD2 4.49Å; F99-W106 AromaticContact CZ-CE2 3.51Å; F99-W106 HydrophobicContact CZ-CH2 4.29Å; F99-W106 AromaticContact CZ-CZ2 3.4Å; F99-W106 HydrophobicContact CZ-CZ2 3.4Å; F99-W106 AromaticContact CZ-NE1 3.52Å; F99-H147 WeakPolarHBondContact CB-CE1 3.16Å; F99-H147 WeakPolarHBondContact CB-NE2 3.25Å; F99-H147 HydrophobicContact CD1-CB 4.28Å; F99-H147 AromaticContact CD1-CG 3.92Å; F99-H147 AromaticContact CD1-ND1 3.65Å; F99-H147 HydrophobicContact CD2-CB 3.72Å; F99-H147 AromaticContact CD2-CD2 3.5Å; F99-H147 AromaticContact CD2-CG 3.47Å; F99-H147 VanDerWaalsContact CD2-CG 3.47Å; F99-H147 AromaticContact CD2-ND1 3.99Å; F99-H147 HydrophobicContact CE1-CB 4.12Å; F99-H147 HydrophobicContact CE2-CB 3.53Å; F99-H147 AromaticContact CE2-CG 3.85Å; F99-H147 HydrophobicContact CG-CB 4.1Å; F99-H147 AromaticContact CG-CD2 3.69Å; F99-H147 AromaticContact CG-CE1 3.71Å; F99-H147 AromaticContact CG-CG 3.51Å; F99-H147 AromaticContact CG-ND1 3.52Å; F99-H147 AromaticContact CG-NE2 3.81Å; F99-H147 HydrophobicContact CZ-CB 3.76Å |
| 100 | R | 79.8 | Confident | 85 | Confident | 54 Ų | 54 | 30 Ų | 30 | 20% | 0.204 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -59.3 | -42 | 175.6 | -175 | 179.7 | 78.1 | -176.6 | 8.5 | 111.9 | N96 E97 R102 | N96-R100 WeakPolarHBondContact O-CB 3.23Å; N96-R100 PolarHBondContact O-N 2.87Å; E97-R100 WeakPolarHBondContact O-CB 3.36Å; E97-R100 PolarHBondContact O-N 3.1Å; E97-R100 VanDerWaalsContact O-N 3.11Å; E97-R100 IonicContact OE1-CZ 3.78Å; E97-R100 IonicContact OE1-NE 2.62Å; E97-R100 PolarHBondContact OE1-NE 2.93Å; E97-R100 IonicContact OE1-NH2 3.29Å; E97-R100 PolarHBondContact OE1-NH2 2.81Å; E97-R100 IonicContact OE2-CZ 2.88Å; E97-R100 IonicContact OE2-NE 3.93Å; E97-R100 PolarHBondContact OE2-NE 2.89Å; E97-R100 IonicContact OE2-NH1 3.52Å; E97-R100 PolarHBondContact OE2-NH1 3.46Å; E97-R100 IonicContact OE2-NH2 3.75Å; E97-R100 PolarHBondContact OE2-NH2 2.81Å; R100-R102 VanDerWaalsContact C-N 3.27Å; R100-R102 PolarHBondContact O-N 2.79Å |
| 101 | D | 71.9 | Confident | 84.2 | Confident | 54 Ų | 54 | 34 Ų | 34 | 29% | 0.289 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | 1.5 | 176.9 | -87.3 | 3.7 | 0 | 0 | 0 | 113.6 | E97 K98 F99 T103 R1312 | E97-D101 PolarHBondContact O-N 2.96Å; K98-D101 CarbonylContact O-C 3.54Å; K98-D101 PolarHBondContact O-N 2.94Å; F99-D101 VanDerWaalsContact C-N 3.3Å; F99-D101 PolarHBondContact O-N 3.47Å; D101-T103 PolarHBondContact O-N 2.94Å; D101-R1312 IonicContact OD2-CZ 3.85Å; D101-R1312 VanDerWaalsContact OD2-CZ 3.27Å; D101-R1312 IonicContact OD2-NH1 3.59Å; D101-R1312 PolarHBondContact OD2-NH1 3.44Å; D101-R1312 IonicContact OD2-NH2 2.72Å; D101-R1312 PolarHBondContact OD2-NH2 3.07Å |
| 102 | R | 71.8 | Confident | 83.8 | Confident | 90 Ų | 90 | 36.9 Ų | 36.9 | 34% | 0.34 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.6 | 28.8 | -177.6 | -57.3 | -177.5 | 170.8 | -156.5 | -12.6 | 114.6 | K98 F99 R100 Q1137 K1138 N1141 E1143 | K98-R102 PolarHBondContact O-N 3.03Å; F99-R102 PolarHBondContact O-N 3.46Å; R100-R102 VanDerWaalsContact C-N 3.27Å; R100-R102 PolarHBondContact O-N 2.79Å; R102-Q1137 PolarHBondContact NH2-O 3.44Å; R102-K1138 VanDerWaalsContact NH2-CA 3.34Å; R102-K1138 PolarHBondContact NH2-O 3.43Å; R102-N1141 PolarHBondContact NH1-OD1 3.02Å; R102-N1141 VanDerWaalsContact NH2-CA 3.28Å; R102-N1141 PolarHBondContact NH2-OD1 3.24Å; R102-E1143 IonicContact CZ-OE1 3.08Å; R102-E1143 IonicContact NH1-OE1 2.72Å; R102-E1143 PolarHBondContact NH1-OE1 2.89Å |
| 103 | T | 69.3 | Low | 83.3 | Confident | 32 Ų | 32 | 39.5 Ų | 39.5 | 20% | 0.196 | 21% | 0.21 | C | C | . | . | trans | -81.9 | 127.7 | 174.7 | -56.6 | 0 | 0 | 0 | 0 | 110.2 | K98 D101 V105 | K98-T103 HydrophobicContact CG-CG2 4.38Å; K98-T103 PolarHBondContact O-N 3.17Å; D101-T103 PolarHBondContact O-N 2.94Å; T103-V105 PolarHBondContact O-N 2.83Å | ||
| 104 | P | 71.6 | Confident | 83.1 | Confident | 96 Ų | 96 | 45 Ų | 45 | 62% | 0.623 | 24% | 0.24 | S | C | * | . | trans | -59.6 | 120 | 171.8 | -21.8 | 32.9 | 0 | 0 | 0 | 110.8 | ||||
| 105 | V | 81.9 | Confident | 83.1 | Confident | 3 Ų | 3 | 46.3 Ų | 46.3 | 2% | 0.018 | 25% | 0.246 | C | C | . | . | trans | -113.7 | -27 | -173.6 | 67.2 | 0 | 0 | 0 | 0 | 113.6 | L70 V95 K98 F99 T103 Q107 I108 F109 | L70-V105 HydrophobicContact CD2-CG2 3.96Å; V95-V105 HydrophobicContact CB-CG2 4.44Å; V95-V105 HydrophobicContact CG1-CG1 4.13Å; V95-V105 HydrophobicContact CG1-CG2 4.3Å; V95-V105 HydrophobicContact CG2-CG2 4.01Å; K98-V105 HydrophobicContact CB-CB 4.12Å; K98-V105 HydrophobicContact CB-CG2 4.22Å; K98-V105 HydrophobicContact CD-CB 4.16Å; K98-V105 HydrophobicContact CD-CG2 3.67Å; F99-V105 HydrophobicContact CD2-CG1 3.8Å; F99-V105 HydrophobicContact CE2-CG1 3.26Å; F99-V105 HydrophobicContact CZ-CG1 3.79Å; T103-V105 PolarHBondContact O-N 2.83Å; V105-Q107 PolarHBondContact O-N 3.32Å; V105-Q107 VanDerWaalsContact O-N 3.15Å; V105-I108 HydrophobicContact CG2-CD1 4.21Å; V105-I108 WeakPolarHBondContact O-CB 3.46Å; V105-I108 PolarHBondContact O-N 2.99Å; V105-I108 VanDerWaalsContact O-N 3.14Å; V105-F109 HydrophobicContact CG2-CE2 4.1Å | ||
| 106 | W | 85.1 | Confident | 83 | Confident | 20 Ų | 20 | 46.4 Ų | 46.4 | 8% | 0.076 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.9 | -27.8 | -175 | -61.3 | 130.3 | 0 | 0 | 0 | 113.9 | F99 I108 F109 A110 F116 F144 H147 S151 I166 V169 | F99-W106 AromaticContact CE2-CE2 3.98Å; F99-W106 HydrophobicContact CE2-CH2 4.05Å; F99-W106 AromaticContact CE2-CZ2 3.61Å; F99-W106 HydrophobicContact CE2-CZ2 3.61Å; F99-W106 HydrophobicContact CZ-CD2 4.49Å; F99-W106 AromaticContact CZ-CE2 3.51Å; F99-W106 HydrophobicContact CZ-CH2 4.29Å; F99-W106 AromaticContact CZ-CZ2 3.4Å; F99-W106 HydrophobicContact CZ-CZ2 3.4Å; F99-W106 AromaticContact CZ-NE1 3.52Å; W106-I108 PolarHBondContact O-N 3.24Å; W106-I108 VanDerWaalsContact O-N 3.17Å; W106-F109 AromaticContact CE3-CD2 3.74Å; W106-F109 HydrophobicContact CE3-CD2 3.74Å; W106-F109 HydrophobicContact CE3-CE2 4.07Å; W106-F109 HydrophobicContact CZ3-CD2 4.18Å; W106-F109 HydrophobicContact CZ3-CE2 4.15Å; W106-F109 PolarHBondContact O-N 2.71Å; W106-A110 PolarHBondContact O-N 3.43Å; W106-F116 HydrophobicContact CE3-CE2 4.38Å; W106-F116 HydrophobicContact CE3-CZ 4.28Å; W106-F116 AromaticContact CZ3-CE2 3.91Å; W106-F116 HydrophobicContact CZ3-CE2 3.91Å; W106-F116 AromaticContact CZ3-CZ 3.76Å; W106-F116 HydrophobicContact CZ3-CZ 3.76Å; W106-F144 HydrophobicContact CH2-CE2 4.37Å; W106-F144 HydrophobicContact CZ3-CE2 4.46Å; W106-H147 HydrophobicContact CZ2-CB 4.45Å; W106-S151 WeakPolarHBondContact CZ2-OG 3.46Å; W106-S151 PolarHBondContact NE1-OG 3.25Å; W106-I166 HydrophobicContact CB-CG1 4.43Å; W106-I166 HydrophobicContact CG-CG1 4.42Å; W106-V169 HydrophobicContact CD2-CG2 4.09Å; W106-V169 HydrophobicContact CE3-CG2 3.87Å; W106-V169 HydrophobicContact CH2-CG2 4.42Å; W106-V169 HydrophobicContact CZ3-CG2 4.07Å |
| 107 | Q | 75.9 | Confident | 82.9 | Confident | 106 Ų | 106 | 47.2 Ų | 47.2 | 50% | 0.495 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -49.5 | -39.8 | 174 | -77.1 | -176.3 | -4.6 | 0 | 0 | 113.2 | V105 F109 A110 E165 | V105-Q107 PolarHBondContact O-N 3.32Å; V105-Q107 VanDerWaalsContact O-N 3.15Å; Q107-F109 VanDerWaalsContact C-N 3.28Å; Q107-F109 PolarHBondContact O-N 2.71Å; Q107-A110 WeakPolarHBondContact O-CB 3.42Å; Q107-A110 PolarHBondContact O-N 3.47Å; Q107-E165 WeakPolarHBondContact CA-OE2 3.38Å; Q107-E165 VanDerWaalsContact CG-CD 3.41Å; Q107-E165 WeakPolarHBondContact CG-OE1 3.29Å; Q107-E165 WeakPolarHBondContact CG-OE2 3.4Å; Q107-E165 PolarHBondContact N-OE2 2.76Å |
| 108 | I | 82.6 | Confident | 83.3 | Confident | 29 Ų | 29 | 52.6 Ų | 52.6 | 15% | 0.149 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.7 | -40.5 | -177.2 | -63.3 | 165.9 | 0 | 0 | 0 | 110 | L70 E71 W75 K98 V105 W106 S111 | L70-I108 HydrophobicContact CD2-CD1 3.87Å; L70-I108 HydrophobicContact CG-CD1 4.27Å; E71-I108 HydrophobicContact CG-CD1 3.64Å; E71-I108 HydrophobicContact CG-CG1 4.09Å; W75-I108 HydrophobicContact CB-CG2 3.99Å; W75-I108 VanDerWaalsContact CD1-CG2 3.4Å; W75-I108 HydrophobicContact CG-CG2 3.78Å; W75-I108 PolarHBondContact NE1-O 3.08Å; K98-I108 HydrophobicContact CD-CD1 4.47Å; V105-I108 HydrophobicContact CG2-CD1 4.21Å; V105-I108 WeakPolarHBondContact O-CB 3.46Å; V105-I108 PolarHBondContact O-N 2.99Å; V105-I108 VanDerWaalsContact O-N 3.14Å; W106-I108 PolarHBondContact O-N 3.24Å; W106-I108 VanDerWaalsContact O-N 3.17Å; I108-S111 PolarHBondContact O-OG 2.8Å |
| 109 | F | 88.1 | Confident | 83.8 | Confident | 7 Ų | 7 | 52.6 Ų | 52.6 | 3% | 0.031 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -78.4 | -19.6 | -176.9 | -57.7 | -68.8 | 0 | 0 | 0 | 113.6 | W75 I91 V95 V105 W106 Q107 S111 R112 F116 M119 | W75-F109 AromaticContact CD2-CD1 3.62Å; W75-F109 HydrophobicContact CD2-CD1 3.62Å; W75-F109 AromaticContact CD2-CE1 3.78Å; W75-F109 HydrophobicContact CD2-CE1 3.78Å; W75-F109 AromaticContact CE2-CD1 3.56Å; W75-F109 AromaticContact CE3-CD1 3.66Å; W75-F109 HydrophobicContact CE3-CD1 3.66Å; W75-F109 AromaticContact CE3-CE1 3.56Å; W75-F109 HydrophobicContact CE3-CE1 3.56Å; W75-F109 HydrophobicContact CG-CD1 4.37Å; W75-F109 HydrophobicContact CG-CE1 4.39Å; W75-F109 AromaticContact CH2-CD1 3.63Å; W75-F109 HydrophobicContact CH2-CD1 3.63Å; W75-F109 HydrophobicContact CH2-CE1 4.26Å; W75-F109 HydrophobicContact CZ2-CB 4.24Å; W75-F109 AromaticContact CZ2-CD1 3.55Å; W75-F109 HydrophobicContact CZ2-CD1 3.55Å; W75-F109 HydrophobicContact CZ2-CE1 4.43Å; W75-F109 HydrophobicContact CZ2-CG 4.38Å; W75-F109 AromaticContact CZ3-CD1 3.68Å; W75-F109 HydrophobicContact CZ3-CD1 3.68Å; W75-F109 AromaticContact CZ3-CE1 3.83Å; W75-F109 HydrophobicContact CZ3-CE1 3.83Å; I91-F109 HydrophobicContact CG2-CE1 4.19Å; I91-F109 HydrophobicContact CG2-CZ 4.12Å; V95-F109 HydrophobicContact CG2-CE2 3.84Å; V95-F109 HydrophobicContact CG2-CZ 3.54Å; V105-F109 HydrophobicContact CG2-CE2 4.1Å; W106-F109 AromaticContact CE3-CD2 3.74Å; W106-F109 HydrophobicContact CE3-CD2 3.74Å; W106-F109 HydrophobicContact CE3-CE2 4.07Å; W106-F109 HydrophobicContact CZ3-CD2 4.18Å; W106-F109 HydrophobicContact CZ3-CE2 4.15Å; W106-F109 PolarHBondContact O-N 2.71Å; Q107-F109 VanDerWaalsContact C-N 3.28Å; Q107-F109 PolarHBondContact O-N 2.71Å; F109-S111 PolarHBondContact O-N 2.86Å; F109-S111 VanDerWaalsContact O-N 3.17Å; F109-R112 CarbonylContact O-C 3.57Å; F109-R112 PolarHBondContact O-N 3.39Å; F109-R112 VanDerWaalsContact O-N 3.1Å; F109-F116 HydrophobicContact CB-CB 4.33Å; F109-F116 HydrophobicContact CB-CD2 3.7Å; F109-F116 HydrophobicContact CB-CE2 4.28Å; F109-F116 HydrophobicContact CB-CG 4.11Å; F109-F116 AromaticContact CD1-CD2 3.49Å; F109-F116 HydrophobicContact CD1-CD2 3.49Å; F109-F116 VanDerWaalsContact CD1-CD2 3.49Å; F109-F116 HydrophobicContact CD1-CE2 4.06Å; F109-F116 HydrophobicContact CD1-CG 4.49Å; F109-F116 HydrophobicContact CD2-CD2 4.17Å; F109-F116 HydrophobicContact CD2-CE2 4.03Å; F109-F116 HydrophobicContact CE1-CD2 4.14Å; F109-F116 HydrophobicContact CE1-CE2 4.41Å; F109-F116 HydrophobicContact CE2-CE2 4.36Å; F109-F116 AromaticContact CG-CD2 3.51Å; F109-F116 HydrophobicContact CG-CD2 3.51Å; F109-F116 AromaticContact CG-CE2 3.85Å; F109-F116 HydrophobicContact CG-CE2 3.85Å; F109-F116 HydrophobicContact CG-CG 4.39Å; F109-M119 HydrophobicContact CE1-CE 4.14Å; F109-M119 HydrophobicContact CE1-SD 4.42Å |
| 110 | A | 79.2 | Confident | 84.3 | Confident | 45 Ų | 45 | 50 Ų | 50 | 37% | 0.372 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -61.9 | -22.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113 | W106 Q107 R112 E165 | W106-A110 PolarHBondContact O-N 3.43Å; Q107-A110 WeakPolarHBondContact O-CB 3.42Å; Q107-A110 PolarHBondContact O-N 3.47Å; A110-R112 VanDerWaalsContact C-N 3.32Å; A110-R112 PolarHBondContact O-N 3.2Å; A110-E165 HydrophobicContact CB-CB 4.02Å; A110-E165 HydrophobicContact CB-CG 3.73Å |
| 111 | S | 81.3 | Confident | 85 | Confident | 86 Ų | 86 | 51.6 Ų | 51.6 | 60% | 0.601 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -26.8 | 175.2 | 61.9 | 0 | 0 | 0 | 0 | 114.1 | W75 I108 F109 | W75-S111 PolarHBondContact NE1-OG 2.71Å; I108-S111 PolarHBondContact O-OG 2.8Å; F109-S111 PolarHBondContact O-N 2.86Å; F109-S111 VanDerWaalsContact O-N 3.17Å |
| 112 | R | 90.2 | Very high | 86.1 | Confident | 59 Ų | 59 | 51 Ų | 51 | 22% | 0.223 | 27% | 0.268 | C | S | . | . | trans | -144 | 66.8 | -175.3 | -56.8 | 178.2 | 66.8 | -176.7 | -7.6 | 111.2 | W75 P76 Y78 E79 F109 A110 D114 Q115 F116 | W75-R112 HydrophobicContact CZ2-CB 3.75Å; P76-R112 PolarHBondContact O-NH1 3.04Å; Y78-R112 PolarHBondContact O-NH1 2.75Å; Y78-R112 VanDerWaalsContact O-NH1 3.13Å; Y78-R112 PolarHBondContact O-NH2 2.89Å; E79-R112 VanDerWaalsContact CD-NH2 3.26Å; E79-R112 IonicContact OE1-CZ 3.54Å; E79-R112 IonicContact OE1-NH1 3.24Å; E79-R112 IonicContact OE1-NH2 3.51Å; E79-R112 PolarHBondContact OE1-NH2 2.94Å; E79-R112 IonicContact OE2-NH2 3.93Å; E79-R112 PolarHBondContact OE2-NH2 3.32Å; F109-R112 CarbonylContact O-C 3.57Å; F109-R112 PolarHBondContact O-N 3.39Å; F109-R112 VanDerWaalsContact O-N 3.1Å; A110-R112 VanDerWaalsContact C-N 3.32Å; A110-R112 PolarHBondContact O-N 3.2Å; R112-D114 PolarHBondContact O-N 2.87Å; R112-Q115 HydrophobicContact CB-CB 4.1Å; R112-Q115 HydrophobicContact CB-CG 4.3Å; R112-Q115 PolarHBondContact O-N 3.42Å; R112-F116 PolarHBondContact O-N 3.23Å; R112-F116 VanDerWaalsContact O-N 3.16Å | ||
| 113 | P | 87 | Confident | 87.2 | Confident | 55 Ų | 55 | 46.8 Ų | 46.8 | 36% | 0.357 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -62.6 | -36.4 | -171.2 | 24.5 | -34.4 | 0 | 0 | 0 | 114.1 | Q115 F116 A117 | P113-Q115 VanDerWaalsContact C-N 3.33Å; P113-Q115 PolarHBondContact O-N 3.39Å; P113-F116 WeakPolarHBondContact O-CB 3.41Å; P113-F116 PolarHBondContact O-N 3.03Å; P113-A117 PolarHBondContact O-N 3.18Å |
| 114 | D | 90.8 | Very high | 88.5 | Confident | 124 Ų | 124 | 45.2 Ų | 45.2 | 66% | 0.663 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -64.3 | -39.5 | 178.3 | -64.1 | -45.1 | 0 | 0 | 0 | 112.2 | R112 F116 A117 R118 | R112-D114 PolarHBondContact O-N 2.87Å; D114-F116 VanDerWaalsContact C-N 3.32Å; D114-A117 PolarHBondContact O-N 3.46Å; D114-R118 WeakPolarHBondContact O-CG 3.43Å; D114-R118 PolarHBondContact O-N 3.41Å; D114-R118 VanDerWaalsContact O-N 3.12Å |
| 115 | Q | 93.9 | Very high | 89.6 | Confident | 27 Ų | 27 | 44.4 Ų | 44.4 | 13% | 0.126 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -67.8 | -36.2 | 176.5 | -68.8 | -73.9 | -10.4 | 0 | 0 | 111.1 | W75 E79 R112 P113 R118 M119 | W75-Q115 HydrophobicContact CH2-CB 3.95Å; W75-Q115 HydrophobicContact CZ2-CB 4.45Å; E79-Q115 PolarHBondContact OE2-NE2 3.33Å; R112-Q115 HydrophobicContact CB-CB 4.1Å; R112-Q115 HydrophobicContact CB-CG 4.3Å; R112-Q115 PolarHBondContact O-N 3.42Å; P113-Q115 VanDerWaalsContact C-N 3.33Å; P113-Q115 PolarHBondContact O-N 3.39Å; Q115-R118 PolarHBondContact O-N 2.68Å; Q115-M119 VanDerWaalsContact O-CB 3.29Å; Q115-M119 WeakPolarHBondContact O-CB 3.4Å; Q115-M119 PolarHBondContact O-N 3.33Å |
| 116 | F | 92.7 | Very high | 90.1 | Very high | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.009 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.6 | -42 | 175.8 | -178.5 | -97.5 | 0 | 0 | 0 | 111.3 | W75 W106 F109 R112 P113 D114 R118 M119 F120 F144 V169 L172 | W75-F116 HydrophobicContact CH2-CB 3.93Å; W75-F116 HydrophobicContact CZ2-CB 4.37Å; W106-F116 HydrophobicContact CE3-CE2 4.38Å; W106-F116 HydrophobicContact CE3-CZ 4.28Å; W106-F116 AromaticContact CZ3-CE2 3.91Å; W106-F116 HydrophobicContact CZ3-CE2 3.91Å; W106-F116 AromaticContact CZ3-CZ 3.76Å; W106-F116 HydrophobicContact CZ3-CZ 3.76Å; F109-F116 HydrophobicContact CB-CB 4.33Å; F109-F116 HydrophobicContact CB-CD2 3.7Å; F109-F116 HydrophobicContact CB-CE2 4.28Å; F109-F116 HydrophobicContact CB-CG 4.11Å; F109-F116 AromaticContact CD1-CD2 3.49Å; F109-F116 HydrophobicContact CD1-CD2 3.49Å; F109-F116 VanDerWaalsContact CD1-CD2 3.49Å; F109-F116 HydrophobicContact CD1-CE2 4.06Å; F109-F116 HydrophobicContact CD1-CG 4.49Å; F109-F116 HydrophobicContact CD2-CD2 4.17Å; F109-F116 HydrophobicContact CD2-CE2 4.03Å; F109-F116 HydrophobicContact CE1-CD2 4.14Å; F109-F116 HydrophobicContact CE1-CE2 4.41Å; F109-F116 HydrophobicContact CE2-CE2 4.36Å; F109-F116 AromaticContact CG-CD2 3.51Å; F109-F116 HydrophobicContact CG-CD2 3.51Å; F109-F116 AromaticContact CG-CE2 3.85Å; F109-F116 HydrophobicContact CG-CE2 3.85Å; F109-F116 HydrophobicContact CG-CG 4.39Å; R112-F116 PolarHBondContact O-N 3.23Å; R112-F116 VanDerWaalsContact O-N 3.16Å; P113-F116 WeakPolarHBondContact O-CB 3.41Å; P113-F116 PolarHBondContact O-N 3.03Å; D114-F116 VanDerWaalsContact C-N 3.32Å; F116-R118 PolarHBondContact O-N 3.23Å; F116-M119 HydrophobicContact CD2-CE 3.55Å; F116-M119 HydrophobicContact CE2-CE 3.5Å; F116-M119 WeakPolarHBondContact O-CB 3.23Å; F116-M119 PolarHBondContact O-N 3.01Å; F116-F120 WeakPolarHBondContact O-CB 3.07Å; F116-F120 PolarHBondContact O-N 3.4Å; F116-F144 HydrophobicContact CE2-CZ 4.46Å; F116-V169 HydrophobicContact CE1-CB 4.45Å; F116-V169 HydrophobicContact CE1-CG2 3.61Å; F116-V169 HydrophobicContact CZ-CG2 3.74Å; F116-L172 HydrophobicContact CD1-CD1 3.94Å; F116-L172 HydrophobicContact CE1-CD1 3.8Å |
| 117 | A | 91.9 | Very high | 90.6 | Very high | 37 Ų | 37 | 44.1 Ų | 44.1 | 31% | 0.306 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -61 | -41.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | P113 D114 F120 K121 L172 | P113-A117 PolarHBondContact O-N 3.18Å; D114-A117 PolarHBondContact O-N 3.46Å; A117-F120 PolarHBondContact O-N 2.87Å; A117-K121 PolarHBondContact O-N 2.91Å; A117-K121 VanDerWaalsContact O-N 3.13Å; A117-L172 HydrophobicContact CB-CD1 4.43Å; A117-L172 HydrophobicContact CB-CD2 4.16Å |
| 118 | R | 94.7 | Very high | 91.4 | Very high | 124 Ų | 124 | 40.4 Ų | 40.4 | 47% | 0.468 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -69.2 | -41.1 | 175.5 | -64.9 | -178.3 | -169.7 | -171.9 | 6.9 | 112.4 | A80 D81 D114 Q115 F116 F120 K121 K122 | A80-R118 HydrophobicContact CB-CB 3.37Å; A80-R118 HydrophobicContact CB-CG 4.49Å; D81-R118 IonicContact OD2-NH1 3.39Å; D81-R118 PolarHBondContact OD2-NH1 2.93Å; D114-R118 WeakPolarHBondContact O-CG 3.43Å; D114-R118 PolarHBondContact O-N 3.41Å; D114-R118 VanDerWaalsContact O-N 3.12Å; Q115-R118 PolarHBondContact O-N 2.68Å; F116-R118 PolarHBondContact O-N 3.23Å; R118-F120 VanDerWaalsContact C-N 3.31Å; R118-F120 PolarHBondContact O-N 3.24Å; R118-K121 PolarHBondContact O-N 2.78Å; R118-K122 PolarHBondContact O-N 3.07Å |
| 119 | M | 95.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -55.9 | -48 | 172.6 | -173 | -172.3 | 77.2 | 0 | 0 | 110.3 | W75 Y78 L88 I91 F109 Q115 F116 K121 K122 V123 F144 | W75-M119 HydrophobicContact CE3-SD 4.48Å; W75-M119 HydrophobicContact CZ3-SD 3.86Å; Y78-M119 HydrophobicContact CE1-CB 3.64Å; Y78-M119 HydrophobicContact CE1-CG 3.7Å; Y78-M119 HydrophobicContact CE1-SD 4.32Å; L88-M119 HydrophobicContact CD1-CG 3.47Å; L88-M119 VanDerWaalsContact CD1-CG 3.47Å; L88-M119 HydrophobicContact CD1-SD 4.17Å; I91-M119 HydrophobicContact CD1-SD 4.39Å; I91-M119 HydrophobicContact CG2-SD 3.97Å; F109-M119 HydrophobicContact CE1-CE 4.14Å; F109-M119 HydrophobicContact CE1-SD 4.42Å; Q115-M119 VanDerWaalsContact O-CB 3.29Å; Q115-M119 WeakPolarHBondContact O-CB 3.4Å; Q115-M119 PolarHBondContact O-N 3.33Å; F116-M119 HydrophobicContact CD2-CE 3.55Å; F116-M119 HydrophobicContact CE2-CE 3.5Å; F116-M119 WeakPolarHBondContact O-CB 3.23Å; F116-M119 PolarHBondContact O-N 3.01Å; M119-K121 VanDerWaalsContact C-N 3.34Å; M119-K121 PolarHBondContact O-N 3.29Å; M119-K122 CarbonylContact O-C 3.52Å; M119-K122 WeakPolarHBondContact O-CA 3.19Å; M119-K122 VanDerWaalsContact O-CB 3.31Å; M119-K122 WeakPolarHBondContact O-CB 3.4Å; M119-K122 PolarHBondContact O-N 2.68Å; M119-V123 WeakPolarHBondContact O-CG2 3.36Å; M119-V123 PolarHBondContact O-N 2.9Å; M119-F144 HydrophobicContact CE-CZ 3.96Å |
| 120 | F | 94.8 | Very high | 91 | Very high | 1 Ų | 1 | 46.9 Ų | 46.9 | 0% | 0.004 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.8 | -41.3 | 179.3 | -171.7 | -92.3 | 0 | 0 | 0 | 112.2 | F116 A117 R118 K122 V123 M124 F144 L145 C148 L172 I173 L176 | F116-F120 WeakPolarHBondContact O-CB 3.07Å; F116-F120 PolarHBondContact O-N 3.4Å; A117-F120 PolarHBondContact O-N 2.87Å; R118-F120 VanDerWaalsContact C-N 3.31Å; R118-F120 PolarHBondContact O-N 3.24Å; F120-K122 VanDerWaalsContact C-N 3.31Å; F120-K122 PolarHBondContact O-N 3.38Å; F120-V123 WeakPolarHBondContact O-CB 3.42Å; F120-V123 PolarHBondContact O-N 2.73Å; F120-M124 HydrophobicContact CD1-CG 4.28Å; F120-M124 HydrophobicContact CD1-SD 3.93Å; F120-M124 HydrophobicContact CE1-CG 4.02Å; F120-M124 HydrophobicContact CE1-SD 3.71Å; F120-M124 WeakPolarHBondContact O-CG 3.48Å; F120-M124 PolarHBondContact O-N 2.92Å; F120-F144 HydrophobicContact CD2-CE1 4.33Å; F120-L145 HydrophobicContact CE2-CD2 4.19Å; F120-L145 HydrophobicContact CZ-CD2 4.28Å; F120-C148 HydrophobicContact CE2-CB 4.04Å; F120-L172 HydrophobicContact CB-CD1 3.84Å; F120-L172 HydrophobicContact CD1-CB 4.02Å; F120-L172 HydrophobicContact CD1-CD1 4.1Å; F120-L172 HydrophobicContact CD1-CD2 4.28Å; F120-L172 HydrophobicContact CD1-CG 4.36Å; F120-L172 HydrophobicContact CD2-CD1 4.42Å; F120-L172 HydrophobicContact CE1-CB 4.04Å; F120-L172 HydrophobicContact CG-CB 4.47Å; F120-L172 HydrophobicContact CG-CD1 3.86Å; F120-I173 HydrophobicContact CE2-CD1 4.2Å; F120-I173 HydrophobicContact CZ-CD1 3.74Å; F120-L176 HydrophobicContact CE1-CD1 3.89Å; F120-L176 HydrophobicContact CZ-CD1 3.86Å |
| 121 | K | 94.3 | Very high | 90.9 | Very high | 87 Ų | 87 | 49.2 Ų | 49.2 | 38% | 0.378 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61 | -39.4 | 172.2 | -175.6 | 168.2 | 176.2 | 168 | 0 | 111.9 | A117 R118 M119 M124 N125 D221 | A117-K121 PolarHBondContact O-N 2.91Å; A117-K121 VanDerWaalsContact O-N 3.13Å; R118-K121 PolarHBondContact O-N 2.78Å; M119-K121 VanDerWaalsContact C-N 3.34Å; M119-K121 PolarHBondContact O-N 3.29Å; K121-M124 WeakPolarHBondContact O-CB 3.32Å; K121-M124 PolarHBondContact O-N 3.48Å; K121-N125 VanDerWaalsContact O-CG 3.27Å; K121-N125 PolarHBondContact O-N 2.85Å; K121-N125 VanDerWaalsContact O-N 3.1Å; K121-N125 PolarHBondContact O-OD1 2.91Å; K121-D221 IonicContact NZ-OD1 2.77Å; K121-D221 PolarHBondContact NZ-OD1 3.36Å |
| 122 | K | 94.9 | Very high | 90.8 | Very high | 42 Ų | 42 | 49.6 Ų | 49.6 | 18% | 0.183 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65 | -40.4 | 173.8 | -161.9 | 174.8 | -172.1 | 162.2 | 0 | 112.1 | A80 S83 L88 R118 M119 F120 M124 N125 V126 | A80-K122 PolarHBondContact O-NZ 3Å; S83-K122 PolarHBondContact O-NZ 3.44Å; L88-K122 HydrophobicContact CD2-CB 4.25Å; L88-K122 HydrophobicContact CD2-CD 4.1Å; L88-K122 HydrophobicContact CD2-CG 3.89Å; R118-K122 PolarHBondContact O-N 3.07Å; M119-K122 CarbonylContact O-C 3.52Å; M119-K122 WeakPolarHBondContact O-CA 3.19Å; M119-K122 VanDerWaalsContact O-CB 3.31Å; M119-K122 WeakPolarHBondContact O-CB 3.4Å; M119-K122 PolarHBondContact O-N 2.68Å; F120-K122 VanDerWaalsContact C-N 3.31Å; F120-K122 PolarHBondContact O-N 3.38Å; K122-M124 VanDerWaalsContact C-N 3.33Å; K122-M124 PolarHBondContact O-N 2.84Å; K122-N125 PolarHBondContact O-N 3.06Å; K122-V126 WeakPolarHBondContact O-CB 3.43Å; K122-V126 VanDerWaalsContact O-CG2 3.3Å; K122-V126 WeakPolarHBondContact O-CG2 3.27Å; K122-V126 PolarHBondContact O-N 2.79Å |
| 123 | V | 96 | Very high | 90.8 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -58.6 | -44.3 | 172.6 | 175.1 | 0 | 0 | 0 | 0 | 111 | L88 L92 M119 F120 N125 V126 A127 V141 F144 L145 | L88-V123 HydrophobicContact CD1-CG2 3.79Å; L88-V123 HydrophobicContact CD2-CG2 4.25Å; L88-V123 HydrophobicContact CG-CG2 4.43Å; L92-V123 HydrophobicContact CD1-CG1 4.44Å; L92-V123 HydrophobicContact CD1-CG2 4.17Å; L92-V123 HydrophobicContact CD2-CG2 3.91Å; M119-V123 WeakPolarHBondContact O-CG2 3.36Å; M119-V123 PolarHBondContact O-N 2.9Å; F120-V123 WeakPolarHBondContact O-CB 3.42Å; F120-V123 PolarHBondContact O-N 2.73Å; V123-N125 VanDerWaalsContact C-N 3.34Å; V123-N125 PolarHBondContact O-N 3.39Å; V123-V126 PolarHBondContact O-N 3Å; V123-A127 WeakPolarHBondContact O-CB 3.48Å; V123-A127 PolarHBondContact O-N 3.15Å; V123-V141 HydrophobicContact CG1-CG1 3.9Å; V123-F144 HydrophobicContact CG1-CD1 3.9Å; V123-F144 HydrophobicContact CG1-CE1 4.08Å; V123-F144 HydrophobicContact CG2-CD1 4.45Å; V123-F144 HydrophobicContact CG2-CE1 4.07Å; V123-L145 HydrophobicContact CG1-CD2 4.16Å; V123-L145 HydrophobicContact CG1-CG 4.4Å |
| 124 | M | 95.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.2 | -43.6 | 176.1 | -68.6 | 170.6 | 60.6 | 0 | 0 | 112.1 | F120 K121 K122 A127 L128 L176 Y224 F228 | F120-M124 HydrophobicContact CD1-CG 4.28Å; F120-M124 HydrophobicContact CD1-SD 3.93Å; F120-M124 HydrophobicContact CE1-CG 4.02Å; F120-M124 HydrophobicContact CE1-SD 3.71Å; F120-M124 WeakPolarHBondContact O-CG 3.48Å; F120-M124 PolarHBondContact O-N 2.92Å; K121-M124 WeakPolarHBondContact O-CB 3.32Å; K121-M124 PolarHBondContact O-N 3.48Å; K122-M124 VanDerWaalsContact C-N 3.33Å; K122-M124 PolarHBondContact O-N 2.84Å; M124-A127 PolarHBondContact O-N 3.07Å; M124-L128 PolarHBondContact O-N 3.03Å; M124-L176 HydrophobicContact CE-CD2 3.51Å; M124-L176 HydrophobicContact SD-CD2 3.94Å; M124-Y224 HydrophobicContact CB-CE1 4.28Å; M124-Y224 HydrophobicContact CE-CD1 3.98Å; M124-Y224 HydrophobicContact CE-CE1 3.61Å; M124-Y224 PolarHBondContact O-OH 3.4Å; M124-F228 HydrophobicContact CB-CD2 3.92Å; M124-F228 HydrophobicContact CB-CE2 3.63Å; M124-F228 HydrophobicContact CB-CZ 4.26Å; M124-F228 HydrophobicContact CE-CB 3.85Å; M124-F228 HydrophobicContact CE-CD1 4.42Å; M124-F228 HydrophobicContact CE-CD2 3.74Å; M124-F228 HydrophobicContact CE-CE2 4.45Å; M124-F228 HydrophobicContact CE-CG 3.73Å; M124-F228 HydrophobicContact CG-CD2 4.07Å; M124-F228 HydrophobicContact CG-CE1 4.45Å; M124-F228 HydrophobicContact CG-CE2 3.82Å; M124-F228 HydrophobicContact CG-CZ 4.02Å |
| 125 | N | 94.4 | Very high | 91.2 | Very high | 79 Ų | 79 | 43.8 Ų | 43.8 | 42% | 0.422 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -61.8 | -46.6 | 178.2 | -63.7 | -11.8 | 0 | 0 | 0 | 111.2 | K121 K122 V123 A127 L128 D129 Y224 | K121-N125 VanDerWaalsContact O-CG 3.27Å; K121-N125 PolarHBondContact O-N 2.85Å; K121-N125 VanDerWaalsContact O-N 3.1Å; K121-N125 PolarHBondContact O-OD1 2.91Å; K122-N125 PolarHBondContact O-N 3.06Å; V123-N125 VanDerWaalsContact C-N 3.34Å; V123-N125 PolarHBondContact O-N 3.39Å; N125-A127 PolarHBondContact O-N 3.02Å; N125-L128 PolarHBondContact O-N 2.85Å; N125-D129 PolarHBondContact O-N 2.83Å; N125-Y224 WeakPolarHBondContact CA-OH 3.41Å; N125-Y224 PolarHBondContact N-OH 3.14Å; N125-Y224 VanDerWaalsContact OD1-CZ 3.25Å; N125-Y224 PolarHBondContact OD1-OH 3.41Å |
| 126 | V | 93.6 | Very high | 91.1 | Very high | 12 Ų | 12 | 45.1 Ų | 45.1 | 7% | 0.073 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64 | -38.3 | 178.2 | 166.9 | 0 | 0 | 0 | 0 | 111.5 | L88 K122 V123 L128 D129 L133 V141 | L88-V126 HydrophobicContact CD2-CG2 4.13Å; K122-V126 WeakPolarHBondContact O-CB 3.43Å; K122-V126 VanDerWaalsContact O-CG2 3.3Å; K122-V126 WeakPolarHBondContact O-CG2 3.27Å; K122-V126 PolarHBondContact O-N 2.79Å; V123-V126 PolarHBondContact O-N 3Å; V126-L128 PolarHBondContact O-N 2.89Å; V126-D129 PolarHBondContact O-N 2.93Å; V126-L133 HydrophobicContact CB-CD1 4.22Å; V126-L133 HydrophobicContact CG1-CD1 3.38Å; V126-L133 HydrophobicContact CG1-CD2 3.56Å; V126-L133 HydrophobicContact CG1-CG 4.09Å; V126-L133 WeakPolarHBondContact O-CD1 3.44Å; V126-V141 HydrophobicContact CG1-CG2 4Å |
| 127 | A | 94.3 | Very high | 91.2 | Very high | 5 Ų | 5 | 45.8 Ų | 45.8 | 4% | 0.041 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62 | -28.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | V123 M124 N125 V141 L145 F228 L232 | V123-A127 WeakPolarHBondContact O-CB 3.48Å; V123-A127 PolarHBondContact O-N 3.15Å; M124-A127 PolarHBondContact O-N 3.07Å; N125-A127 PolarHBondContact O-N 3.02Å; A127-V141 HydrophobicContact CB-CG1 3.61Å; A127-L145 HydrophobicContact CB-CD1 4.19Å; A127-F228 HydrophobicContact CB-CE2 4.16Å; A127-F228 HydrophobicContact CB-CZ 4.16Å; A127-L232 HydrophobicContact CB-CD1 4.08Å |
| 128 | L | 93.6 | Very high | 91.3 | Very high | 27 Ų | 27 | 44.7 Ų | 44.7 | 14% | 0.141 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | -2.6 | 179.3 | -63.3 | -178.1 | 0 | 0 | 0 | 113.4 | M124 N125 V126 H130 Y224 F228 R231 L232 | M124-L128 PolarHBondContact O-N 3.03Å; N125-L128 PolarHBondContact O-N 2.85Å; V126-L128 PolarHBondContact O-N 2.89Å; L128-H130 PolarHBondContact O-CD2 2.83Å; L128-H130 PolarHBondContact O-N 2.81Å; L128-Y224 HydrophobicContact CD1-CE2 3.97Å; L128-F228 HydrophobicContact CD1-CD2 3.88Å; L128-F228 HydrophobicContact CD1-CE2 4.28Å; L128-F228 HydrophobicContact CD2-CE2 4.41Å; L128-F228 HydrophobicContact CG-CD2 4.14Å; L128-F228 HydrophobicContact CG-CE2 4.04Å; L128-R231 HydrophobicContact CD1-CB 4.04Å; L128-R231 HydrophobicContact CD2-CB 3.64Å; L128-L232 HydrophobicContact CD2-CB 4.18Å; L128-L232 HydrophobicContact CD2-CD1 4.17Å |
| 129 | D | 86.7 | Confident | 91.3 | Very high | 50 Ų | 50 | 39.9 Ų | 39.9 | 27% | 0.267 | 23% | 0.225 | S | C | . | . | trans | -77.2 | 121.5 | -179.8 | -168.4 | -18.7 | 0 | 0 | 0 | 111.2 | N125 V126 A131 T132 L133 K138 | N125-D129 PolarHBondContact O-N 2.83Å; V126-D129 PolarHBondContact O-N 2.93Å; D129-A131 PolarHBondContact OD1-N 2.81Å; D129-T132 PolarHBondContact OD1-N 3.12Å; D129-T132 WeakPolarHBondContact OD2-CB 3.4Å; D129-T132 WeakPolarHBondContact OD2-CG2 3.18Å; D129-T132 PolarHBondContact OD2-OG1 3.13Å; D129-L133 HydrophobicContact CB-CD1 4.04Å; D129-K138 WeakPolarHBondContact O-CE 3.35Å; D129-K138 PolarHBondContact O-NZ 2.91Å | ||
| 130 | H | 76.1 | Confident | 91.3 | Very high | 123 Ų | 123 | 40.8 Ų | 40.8 | 57% | 0.569 | 23% | 0.23 | S | C | * | . | S | Bend | trans | -85.8 | -22.1 | 179.6 | -65.5 | -76.7 | 0 | 0 | 0 | 113.5 | L128 T235 | L128-H130 PolarHBondContact O-CD2 2.83Å; L128-H130 PolarHBondContact O-N 2.81Å; H130-T235 PolarHBondContact CE1-OG1 3.21Å |
| 131 | A | 76 | Confident | 91.4 | Very high | 94 Ų | 94 | 40.8 Ų | 40.8 | 78% | 0.777 | 23% | 0.23 | S | C | * | . | S | Bend | trans | -104.6 | -34.1 | -164.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | D129 | D129-A131 PolarHBondContact OD1-N 2.81Š|
| 132 | T | 79.8 | Confident | 91.5 | Very high | 94 Ų | 94 | 36.9 Ų | 36.9 | 58% | 0.577 | 21% | 0.213 | S | C | * | . | S | Bend | trans | -91.3 | -35.4 | -167.3 | 60 | 0 | 0 | 0 | 0 | 114.6 | D129 | D129-T132 PolarHBondContact OD1-N 3.12Å; D129-T132 WeakPolarHBondContact OD2-CB 3.4Å; D129-T132 WeakPolarHBondContact OD2-CG2 3.18Å; D129-T132 PolarHBondContact OD2-OG1 3.13Å |
| 133 | L | 90.5 | Very high | 91.5 | Very high | 16 Ų | 16 | 36.5 Ų | 36.5 | 8% | 0.084 | 21% | 0.214 | C | C | . | . | trans | -100.5 | 139 | -173.2 | -62.2 | 112.4 | 0 | 0 | 0 | 113.3 | V85 L89 V126 D129 E137 K138 | V85-L133 HydrophobicContact CG1-CD2 4.47Å; L89-L133 HydrophobicContact CD1-CD2 3.65Å; L89-L133 HydrophobicContact CD2-CD2 4.02Å; L89-L133 HydrophobicContact CG-CD2 4.38Å; V126-L133 HydrophobicContact CB-CD1 4.22Å; V126-L133 HydrophobicContact CG1-CD1 3.38Å; V126-L133 HydrophobicContact CG1-CD2 3.56Å; V126-L133 HydrophobicContact CG1-CG 4.09Å; V126-L133 WeakPolarHBondContact O-CD1 3.44Å; D129-L133 HydrophobicContact CB-CD1 4.04Å; L133-E137 HydrophobicContact CB-CB 4.15Å; L133-E137 HydrophobicContact CD2-CB 3.74Å; L133-K138 HydrophobicContact CB-CG 3.94Å; L133-K138 WeakPolarHBondContact O-CE 3.08Å | ||
| 134 | T | 92.3 | Very high | 91.5 | Very high | 66 Ų | 66 | 36.5 Ų | 36.5 | 41% | 0.405 | 21% | 0.214 | S | C | . | . | trans | -69.3 | 159.2 | 167.5 | 67.5 | 0 | 0 | 0 | 0 | 111.4 | E137 K138 | T134-E137 WeakPolarHBondContact CB-OE2 3.43Å; T134-E137 WeakPolarHBondContact CG2-OE2 3.47Å; T134-E137 PolarHBondContact N-OE2 2.84Å; T134-E137 WeakPolarHBondContact O-CB 3.43Å; T134-E137 PolarHBondContact O-N 2.89Å; T134-E137 VanDerWaalsContact O-N 3.14Å; T134-E137 VanDerWaalsContact OG1-CD 3.26Å; T134-E137 VanDerWaalsContact OG1-CG 3.29Å; T134-E137 WeakPolarHBondContact OG1-CG 3.25Å; T134-E137 PolarHBondContact OG1-OE2 2.82Å; T134-K138 WeakPolarHBondContact O-CG 3.41Å; T134-K138 PolarHBondContact O-N 3.18Å | ||
| 135 | L | 93 | Very high | 91.5 | Very high | 34 Ų | 34 | 36.5 Ų | 36.5 | 18% | 0.178 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.2 | -38.7 | 179.1 | -67.2 | 170.1 | 0 | 0 | 0 | 114.1 | E137 K138 T139 V239 A252 A253 Y256 | L135-E137 VanDerWaalsContact C-N 3.32Å; L135-E137 PolarHBondContact O-N 3.22Å; L135-K138 HydrophobicContact CD2-CD 4.49Å; L135-K138 PolarHBondContact O-N 2.74Å; L135-T139 PolarHBondContact O-N 2.92Å; L135-T139 PolarHBondContact O-OG1 3.44Å; L135-V239 HydrophobicContact CD2-CG1 3.83Å; L135-V239 HydrophobicContact CD2-CG2 3.97Å; L135-A252 HydrophobicContact CB-CB 4.01Å; L135-A252 HydrophobicContact CD1-CB 4.43Å; L135-A253 HydrophobicContact CD1-CB 3.8Å; L135-Y256 HydrophobicContact CD2-CG 4.39Å |
| 136 | P | 92.6 | Very high | 91.4 | Very high | 54 Ų | 54 | 33 Ų | 33 | 35% | 0.351 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -58.6 | -41.3 | 171.5 | -27.3 | 37.4 | 0 | 0 | 0 | 113.2 | F56 T139 I140 A252 | F56-P136 HydrophobicContact CD2-CB 4.3Å; F56-P136 HydrophobicContact CE2-CB 4.02Å; P136-T139 WeakPolarHBondContact O-CB 3.43Å; P136-T139 PolarHBondContact O-N 2.84Å; P136-I140 PolarHBondContact O-N 3.45Å; P136-I140 VanDerWaalsContact O-N 3.16Å; P136-A252 HydrophobicContact CG-CB 4.18Å |
| 137 | E | 94.4 | Very high | 91.3 | Very high | 16 Ų | 16 | 34.3 Ų | 34.3 | 8% | 0.075 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -67 | -42.2 | 176.9 | -65.6 | 167.6 | 128.4 | 0 | 0 | 111.8 | Y47 L52 F56 L89 L133 T134 L135 T139 I140 V141 | Y47-E137 VanDerWaalsContact OH-CD 3.31Å; Y47-E137 VanDerWaalsContact OH-CG 3.29Å; Y47-E137 WeakPolarHBondContact OH-CG 3.43Å; Y47-E137 PolarHBondContact OH-OE1 2.83Å; L52-E137 HydrophobicContact CD1-CG 4.2Å; F56-E137 HydrophobicContact CE2-CG 4.31Å; F56-E137 HydrophobicContact CZ-CG 4Å; L89-E137 HydrophobicContact CD1-CB 4.26Å; L89-E137 HydrophobicContact CD1-CG 4.18Å; L133-E137 HydrophobicContact CB-CB 4.15Å; L133-E137 HydrophobicContact CD2-CB 3.74Å; T134-E137 WeakPolarHBondContact CB-OE2 3.43Å; T134-E137 WeakPolarHBondContact CG2-OE2 3.47Å; T134-E137 PolarHBondContact N-OE2 2.84Å; T134-E137 WeakPolarHBondContact O-CB 3.43Å; T134-E137 PolarHBondContact O-N 2.89Å; T134-E137 VanDerWaalsContact O-N 3.14Å; T134-E137 VanDerWaalsContact OG1-CD 3.26Å; T134-E137 VanDerWaalsContact OG1-CG 3.29Å; T134-E137 WeakPolarHBondContact OG1-CG 3.25Å; T134-E137 PolarHBondContact OG1-OE2 2.82Å; L135-E137 VanDerWaalsContact C-N 3.32Å; L135-E137 PolarHBondContact O-N 3.22Å; E137-T139 PolarHBondContact O-N 2.93Å; E137-I140 WeakPolarHBondContact O-CB 3.3Å; E137-I140 PolarHBondContact O-N 3.2Å; E137-V141 PolarHBondContact O-N 2.69Å |
| 138 | K | 94.8 | Very high | 91.2 | Very high | 15 Ų | 15 | 34 Ų | 34 | 7% | 0.065 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.2 | -35.4 | 172.8 | -67.9 | -174.6 | -179.7 | -176 | 0 | 112 | D129 L133 T134 L135 V141 I142 Y256 | D129-K138 WeakPolarHBondContact O-CE 3.35Å; D129-K138 PolarHBondContact O-NZ 2.91Å; L133-K138 HydrophobicContact CB-CG 3.94Å; L133-K138 WeakPolarHBondContact O-CE 3.08Å; T134-K138 WeakPolarHBondContact O-CG 3.41Å; T134-K138 PolarHBondContact O-N 3.18Å; L135-K138 HydrophobicContact CD2-CD 4.49Å; L135-K138 PolarHBondContact O-N 2.74Å; K138-V141 WeakPolarHBondContact O-CB 3.15Å; K138-V141 PolarHBondContact O-N 3.44Å; K138-I142 WeakPolarHBondContact O-CG1 3.24Å; K138-I142 PolarHBondContact O-N 3.09Å; K138-Y256 HydrophobicContact CB-CD2 3.93Å; K138-Y256 HydrophobicContact CB-CE2 3.67Å |
| 139 | T | 94.6 | Very high | 91.1 | Very high | 23 Ų | 23 | 32.8 Ų | 32.8 | 14% | 0.141 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.7 | -41.9 | 176.6 | -55.3 | 0 | 0 | 0 | 0 | 111.4 | L135 P136 E137 V141 I142 V143 R259 | L135-T139 PolarHBondContact O-N 2.92Å; L135-T139 PolarHBondContact O-OG1 3.44Å; P136-T139 WeakPolarHBondContact O-CB 3.43Å; P136-T139 PolarHBondContact O-N 2.84Å; E137-T139 PolarHBondContact O-N 2.93Å; T139-V141 VanDerWaalsContact C-N 3.28Å; T139-V141 PolarHBondContact O-N 3Å; T139-I142 PolarHBondContact O-N 3.29Å; T139-V143 WeakPolarHBondContact O-CG2 3.46Å; T139-V143 PolarHBondContact O-N 2.95Å; T139-R259 HydrophobicContact CG2-CB 3.99Å; T139-R259 HydrophobicContact CG2-CG 3.73Å |
| 140 | I | 95.2 | Very high | 91.1 | Very high | 19 Ų | 19 | 33.1 Ų | 33.1 | 10% | 0.097 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -57.7 | -43 | 174.1 | -70.5 | 158.1 | 0 | 0 | 0 | 111.1 | F56 L92 V93 N96 P136 E137 V143 F144 | F56-I140 HydrophobicContact CD1-CD1 3.67Å; F56-I140 HydrophobicContact CD2-CD1 3.91Å; F56-I140 HydrophobicContact CE1-CD1 3.43Å; F56-I140 VanDerWaalsContact CE1-CD1 3.43Å; F56-I140 HydrophobicContact CE2-CD1 3.67Å; F56-I140 HydrophobicContact CG-CD1 3.91Å; F56-I140 HydrophobicContact CZ-CD1 3.43Å; F56-I140 VanDerWaalsContact CZ-CD1 3.43Å; L92-I140 HydrophobicContact CB-CG2 3.63Å; V93-I140 HydrophobicContact CG2-CD1 3.58Å; V93-I140 HydrophobicContact CG2-CG1 4.17Å; V93-I140 HydrophobicContact CG2-CG2 3.97Å; N96-I140 PolarHBondContact ND2-O 3.46Å; P136-I140 PolarHBondContact O-N 3.45Å; P136-I140 VanDerWaalsContact O-N 3.16Å; E137-I140 WeakPolarHBondContact O-CB 3.3Å; E137-I140 PolarHBondContact O-N 3.2Å; I140-V143 PolarHBondContact O-N 2.89Å; I140-F144 PolarHBondContact O-N 3.33Å |
| 141 | V | 96.6 | Very high | 91.3 | Very high | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.006 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.5 | -44.7 | 177.8 | 175.4 | 0 | 0 | 0 | 0 | 111.5 | L89 L92 V123 V126 A127 E137 K138 T139 F144 L145 | L89-V141 HydrophobicContact CD2-CG2 3.94Å; L92-V141 HydrophobicContact CD1-CG2 3.86Å; V123-V141 HydrophobicContact CG1-CG1 3.9Å; V126-V141 HydrophobicContact CG1-CG2 4Å; A127-V141 HydrophobicContact CB-CG1 3.61Å; E137-V141 PolarHBondContact O-N 2.69Å; K138-V141 WeakPolarHBondContact O-CB 3.15Å; K138-V141 PolarHBondContact O-N 3.44Å; T139-V141 VanDerWaalsContact C-N 3.28Å; T139-V141 PolarHBondContact O-N 3Å; V141-F144 PolarHBondContact O-N 3.25Å; V141-L145 HydrophobicContact CG1-CD1 4.14Å; V141-L145 HydrophobicContact CG1-CG 4.5Å; V141-L145 WeakPolarHBondContact O-CG 3.4Å; V141-L145 PolarHBondContact O-N 2.87Å |
| 142 | I | 96.5 | Very high | 91.2 | Very high | 4 Ų | 4 | 24.1 Ų | 24.1 | 2% | 0.021 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62.5 | -43.5 | 177.8 | -66.1 | -59.3 | 0 | 0 | 0 | 111.7 | K138 T139 F144 L145 G146 L232 Y256 F260 F263 | K138-I142 WeakPolarHBondContact O-CG1 3.24Å; K138-I142 PolarHBondContact O-N 3.09Å; T139-I142 PolarHBondContact O-N 3.29Å; I142-F144 PolarHBondContact O-N 3.39Å; I142-L145 HydrophobicContact CD1-CD1 4.49Å; I142-L145 PolarHBondContact O-N 3.01Å; I142-G146 PolarHBondContact O-N 3.28Å; I142-L232 HydrophobicContact CD1-CD1 4.09Å; I142-L232 HydrophobicContact CD1-CD2 4.05Å; I142-L232 HydrophobicContact CD1-CG 4.36Å; I142-Y256 HydrophobicContact CG1-CE2 3.75Å; I142-F260 HydrophobicContact CD1-CD2 3.67Å; I142-F260 HydrophobicContact CD1-CE2 3.64Å; I142-F260 HydrophobicContact CG1-CD2 4.02Å; I142-F260 HydrophobicContact CG1-CE2 4.47Å; I142-F260 HydrophobicContact CG2-CD2 4.45Å; I142-F263 HydrophobicContact CG2-CB 3.83Å; I142-F263 HydrophobicContact CG2-CG 4.18Å |
| 143 | V | 94.9 | Very high | 90.4 | Very high | 34 Ų | 34 | 20.3 Ų | 20.3 | 21% | 0.206 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -62.2 | -44.5 | 177.5 | 173.4 | 0 | 0 | 0 | 0 | 110.9 | N96 T139 I140 L145 G146 H147 | N96-V143 HydrophobicContact CB-CG1 4.06Å; T139-V143 WeakPolarHBondContact O-CG2 3.46Å; T139-V143 PolarHBondContact O-N 2.95Å; I140-V143 PolarHBondContact O-N 2.89Å; V143-L145 PolarHBondContact O-N 3.47Å; V143-G146 PolarHBondContact O-N 2.91Å; V143-G146 VanDerWaalsContact O-N 3.17Å; V143-H147 WeakPolarHBondContact CG1-NE2 3.47Å; V143-H147 PolarHBondContact O-CD2 3.2Å; V143-H147 VanDerWaalsContact O-CD2 3.24Å; V143-H147 PolarHBondContact O-N 3.49Å |
| 144 | F | 96.1 | Very high | 88.8 | Confident | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -60.6 | -45.3 | 175.8 | 173 | -94.8 | 0 | 0 | 0 | 112.1 | L92 V95 N96 W106 F116 M119 F120 V123 I140 V141 I142 G146 H147 C148 | L92-F144 HydrophobicContact CB-CB 4.42Å; L92-F144 HydrophobicContact CD1-CB 4.44Å; L92-F144 HydrophobicContact CD1-CG 4.49Å; L92-F144 HydrophobicContact CD2-CB 4.38Å; L92-F144 HydrophobicContact CD2-CD1 3.9Å; L92-F144 HydrophobicContact CD2-CD2 3.67Å; L92-F144 HydrophobicContact CD2-CE1 4.04Å; L92-F144 HydrophobicContact CD2-CE2 3.8Å; L92-F144 HydrophobicContact CD2-CG 3.71Å; L92-F144 HydrophobicContact CD2-CZ 3.98Å; L92-F144 HydrophobicContact CG-CG 4.45Å; V95-F144 HydrophobicContact CB-CD2 4.15Å; V95-F144 HydrophobicContact CB-CE2 4.34Å; V95-F144 HydrophobicContact CG1-CD2 3.75Å; V95-F144 HydrophobicContact CG1-CE2 3.88Å; V95-F144 HydrophobicContact CG2-CE2 4.42Å; N96-F144 WeakPolarHBondContact OD1-CA 3.42Å; N96-F144 WeakPolarHBondContact OD1-CB 3.41Å; N96-F144 PolarHBondContact OD1-N 3.44Å; W106-F144 HydrophobicContact CH2-CE2 4.37Å; W106-F144 HydrophobicContact CZ3-CE2 4.46Å; F116-F144 HydrophobicContact CE2-CZ 4.46Å; M119-F144 HydrophobicContact CE-CZ 3.96Å; F120-F144 HydrophobicContact CD2-CE1 4.33Å; V123-F144 HydrophobicContact CG1-CD1 3.9Å; V123-F144 HydrophobicContact CG1-CE1 4.08Å; V123-F144 HydrophobicContact CG2-CD1 4.45Å; V123-F144 HydrophobicContact CG2-CE1 4.07Å; I140-F144 PolarHBondContact O-N 3.33Å; V141-F144 PolarHBondContact O-N 3.25Å; I142-F144 PolarHBondContact O-N 3.39Å; F144-G146 VanDerWaalsContact C-N 3.3Å; F144-G146 PolarHBondContact O-N 3.46Å; F144-H147 WeakPolarHBondContact O-CB 3.34Å; F144-H147 PolarHBondContact O-N 2.98Å; F144-H147 VanDerWaalsContact O-N 3.14Å; F144-C148 WeakPolarHBondContact CE1-SG 3.48Å; F144-C148 VanDerWaalsContact CZ-SG 3.58Å; F144-C148 PolarHBondContact O-N 2.86Å; F144-C148 PolarHBondContact O-SG 3.47Å |
| 145 | L | 95.9 | Very high | 86.8 | Confident | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -58.8 | -44.6 | 175.1 | -72.3 | 171.8 | 0 | 0 | 0 | 110.6 | F120 V123 A127 V141 I142 V143 H147 C148 F149 F228 L232 F263 | F120-L145 HydrophobicContact CE2-CD2 4.19Å; F120-L145 HydrophobicContact CZ-CD2 4.28Å; V123-L145 HydrophobicContact CG1-CD2 4.16Å; V123-L145 HydrophobicContact CG1-CG 4.4Å; A127-L145 HydrophobicContact CB-CD1 4.19Å; V141-L145 HydrophobicContact CG1-CD1 4.14Å; V141-L145 HydrophobicContact CG1-CG 4.5Å; V141-L145 WeakPolarHBondContact O-CG 3.4Å; V141-L145 PolarHBondContact O-N 2.87Å; I142-L145 HydrophobicContact CD1-CD1 4.49Å; I142-L145 PolarHBondContact O-N 3.01Å; V143-L145 PolarHBondContact O-N 3.47Å; L145-H147 VanDerWaalsContact C-N 3.28Å; L145-H147 PolarHBondContact O-N 3.02Å; L145-C148 WeakPolarHBondContact O-CB 3.49Å; L145-C148 PolarHBondContact O-N 3.26Å; L145-F149 VanDerWaalsContact O-CD2 3.26Å; L145-F149 WeakPolarHBondContact O-CD2 3.47Å; L145-F149 PolarHBondContact O-N 2.87Å; L145-F228 HydrophobicContact CD1-CE1 4.36Å; L145-F228 HydrophobicContact CD1-CZ 3.93Å; L145-F228 HydrophobicContact CD2-CZ 4.47Å; L145-L232 HydrophobicContact CD1-CD2 4.27Å; L145-F263 HydrophobicContact CB-CE2 4.22Å |
| 146 | G | 93 | Very high | 84.5 | Confident | 7 Ų | 7 | 20.2 Ų | 20.2 | 7% | 0.072 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -52.4 | -45.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | I142 V143 F144 C148 F149 N150 | I142-G146 PolarHBondContact O-N 3.28Å; V143-G146 PolarHBondContact O-N 2.91Å; V143-G146 VanDerWaalsContact O-N 3.17Å; F144-G146 VanDerWaalsContact C-N 3.3Å; F144-G146 PolarHBondContact O-N 3.46Å; G146-C148 PolarHBondContact O-N 3.29Å; G146-F149 PolarHBondContact O-N 3.33Å; G146-N150 WeakPolarHBondContact O-CB 3.48Å; G146-N150 PolarHBondContact O-N 3.12Å; G146-N150 PolarHBondContact O-ND2 3.49Å |
| 147 | H | 91.4 | Very high | 82 | Confident | 38 Ų | 38 | 19.8 Ų | 19.8 | 18% | 0.176 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -63 | -40.2 | 174.9 | -61.8 | -43 | 0 | 0 | 0 | 113.3 | N96 F99 W106 V143 F144 L145 S151 | N96-H147 PolarHBondContact OD1-CD2 3.1Å; N96-H147 VanDerWaalsContact OD1-CD2 3.31Å; F99-H147 WeakPolarHBondContact CB-CE1 3.16Å; F99-H147 WeakPolarHBondContact CB-NE2 3.25Å; F99-H147 HydrophobicContact CD1-CB 4.28Å; F99-H147 AromaticContact CD1-CG 3.92Å; F99-H147 AromaticContact CD1-ND1 3.65Å; F99-H147 HydrophobicContact CD2-CB 3.72Å; F99-H147 AromaticContact CD2-CD2 3.5Å; F99-H147 AromaticContact CD2-CG 3.47Å; F99-H147 VanDerWaalsContact CD2-CG 3.47Å; F99-H147 AromaticContact CD2-ND1 3.99Å; F99-H147 HydrophobicContact CE1-CB 4.12Å; F99-H147 HydrophobicContact CE2-CB 3.53Å; F99-H147 AromaticContact CE2-CG 3.85Å; F99-H147 HydrophobicContact CG-CB 4.1Å; F99-H147 AromaticContact CG-CD2 3.69Å; F99-H147 AromaticContact CG-CE1 3.71Å; F99-H147 AromaticContact CG-CG 3.51Å; F99-H147 AromaticContact CG-ND1 3.52Å; F99-H147 AromaticContact CG-NE2 3.81Å; F99-H147 HydrophobicContact CZ-CB 3.76Å; W106-H147 HydrophobicContact CZ2-CB 4.45Å; V143-H147 WeakPolarHBondContact CG1-NE2 3.47Å; V143-H147 PolarHBondContact O-CD2 3.2Å; V143-H147 VanDerWaalsContact O-CD2 3.24Å; V143-H147 PolarHBondContact O-N 3.49Å; F144-H147 WeakPolarHBondContact O-CB 3.34Å; F144-H147 PolarHBondContact O-N 2.98Å; F144-H147 VanDerWaalsContact O-N 3.14Å; L145-H147 VanDerWaalsContact C-N 3.28Å; L145-H147 PolarHBondContact O-N 3.02Å; H147-S151 WeakPolarHBondContact O-CB 3.45Å; H147-S151 PolarHBondContact O-N 2.69Å; H147-S151 PolarHBondContact O-OG 2.81Å |
| 148 | C | 92 | Very high | 79.5 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63.2 | -46.8 | 175.4 | -65.7 | 0 | 0 | 0 | 0 | 112.1 | F120 F144 L145 G146 S151 V169 I173 | F120-C148 HydrophobicContact CE2-CB 4.04Å; F144-C148 WeakPolarHBondContact CE1-SG 3.48Å; F144-C148 VanDerWaalsContact CZ-SG 3.58Å; F144-C148 PolarHBondContact O-N 2.86Å; F144-C148 PolarHBondContact O-SG 3.47Å; L145-C148 WeakPolarHBondContact O-CB 3.49Å; L145-C148 PolarHBondContact O-N 3.26Å; G146-C148 PolarHBondContact O-N 3.29Å; C148-S151 WeakPolarHBondContact O-CB 3.5Å; C148-S151 PolarHBondContact O-N 3.46Å; C148-V169 HydrophobicContact CB-CG1 3.94Å; C148-V169 WeakPolarHBondContact O-CG1 3.48Å; C148-I173 HydrophobicContact CB-CD1 3.94Å; C148-I173 HydrophobicContact CB-CG1 4.44Å |
| 149 | F | 91.2 | Very high | 76.8 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65.8 | -41.9 | 179.9 | -83.8 | -84.9 | 0 | 0 | 0 | 112.3 | L145 G146 S151 V152 I173 L176 V177 L229 F263 L267 I273 | L145-F149 VanDerWaalsContact O-CD2 3.26Å; L145-F149 WeakPolarHBondContact O-CD2 3.47Å; L145-F149 PolarHBondContact O-N 2.87Å; G146-F149 PolarHBondContact O-N 3.33Å; F149-S151 PolarHBondContact O-N 3.12Å; F149-V152 WeakPolarHBondContact O-CB 3.47Å; F149-V152 WeakPolarHBondContact O-CG2 3.44Å; F149-V152 PolarHBondContact O-N 2.94Å; F149-I173 HydrophobicContact CD1-CD1 4.07Å; F149-I173 HydrophobicContact CD1-CG2 3.41Å; F149-I173 VanDerWaalsContact CD1-CG2 3.41Å; F149-I173 HydrophobicContact CD2-CD1 3.86Å; F149-I173 HydrophobicContact CE1-CD1 4.08Å; F149-I173 HydrophobicContact CE1-CG2 3.5Å; F149-I173 VanDerWaalsContact CE1-CG2 3.5Å; F149-I173 HydrophobicContact CE2-CD1 3.86Å; F149-I173 HydrophobicContact CG-CD1 3.97Å; F149-I173 HydrophobicContact CG-CG2 4.23Å; F149-I173 HydrophobicContact CZ-CD1 3.98Å; F149-I173 HydrophobicContact CZ-CG2 4.35Å; F149-L176 HydrophobicContact CE2-CD1 4.24Å; F149-L176 HydrophobicContact CZ-CB 4.28Å; F149-L176 HydrophobicContact CZ-CD1 3.77Å; F149-V177 HydrophobicContact CE1-CG2 3.7Å; F149-V177 HydrophobicContact CZ-CG2 4.43Å; F149-L229 HydrophobicContact CE1-CD1 4.29Å; F149-L229 HydrophobicContact CE2-CD2 4.25Å; F149-L229 HydrophobicContact CZ-CD1 4.14Å; F149-L229 HydrophobicContact CZ-CD2 3.85Å; F149-L229 HydrophobicContact CZ-CG 4.3Å; F149-F263 AromaticContact CD2-CE2 3.65Å; F149-F263 HydrophobicContact CD2-CE2 3.65Å; F149-F263 AromaticContact CD2-CZ 3.95Å; F149-F263 HydrophobicContact CD2-CZ 3.95Å; F149-F263 HydrophobicContact CE2-CE2 4.11Å; F149-F263 AromaticContact CE2-CZ 3.92Å; F149-F263 HydrophobicContact CE2-CZ 3.92Å; F149-F263 HydrophobicContact CG-CE2 4.28Å; F149-L267 HydrophobicContact CB-CD2 3.5Å; F149-L267 HydrophobicContact CD1-CD2 3.35Å; F149-L267 HydrophobicContact CD2-CD2 4.03Å; F149-L267 HydrophobicContact CE1-CD2 4.02Å; F149-L267 HydrophobicContact CG-CD2 3.36Å; F149-I273 HydrophobicContact CB-CD1 4.26Å; F149-I273 HydrophobicContact CD1-CD1 3.79Å; F149-I273 HydrophobicContact CD1-CG1 4.41Å |
| 150 | N | 85.6 | Confident | 74.2 | Confident | 58 Ų | 58 | 35.8 Ų | 35.8 | 31% | 0.31 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -65.4 | -19.6 | 175.8 | -74.3 | -28.3 | 0 | 0 | 0 | 112.9 | G146 D266 | G146-N150 WeakPolarHBondContact O-CB 3.48Å; G146-N150 PolarHBondContact O-N 3.12Å; G146-N150 PolarHBondContact O-ND2 3.49Å; N150-D266 PolarHBondContact ND2-OD2 3.25Å |
| 151 | S | 81.5 | Confident | 71.7 | Confident | 8 Ų | 8 | 42.7 Ų | 42.7 | 6% | 0.056 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -82 | -9.4 | 179 | -60.5 | 0 | 0 | 0 | 0 | 114.2 | W106 H147 C148 F149 V153 S154 I166 | W106-S151 WeakPolarHBondContact CZ2-OG 3.46Å; W106-S151 PolarHBondContact NE1-OG 3.25Å; H147-S151 WeakPolarHBondContact O-CB 3.45Å; H147-S151 PolarHBondContact O-N 2.69Å; H147-S151 PolarHBondContact O-OG 2.81Å; C148-S151 WeakPolarHBondContact O-CB 3.5Å; C148-S151 PolarHBondContact O-N 3.46Å; F149-S151 PolarHBondContact O-N 3.12Å; S151-V153 PolarHBondContact O-N 3.36Å; S151-S154 PolarHBondContact O-N 2.8Å; S151-I166 WeakPolarHBondContact O-CG2 3.41Å |
| 152 | V | 73.3 | Confident | 69 | Low | 19 Ų | 19 | 45.3 Ų | 45.3 | 12% | 0.115 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -58.6 | -29.7 | 176.6 | 172.1 | 0 | 0 | 0 | 0 | 112.5 | F149 R170 I173 | F149-V152 WeakPolarHBondContact O-CB 3.47Å; F149-V152 WeakPolarHBondContact O-CG2 3.44Å; F149-V152 PolarHBondContact O-N 2.94Å; V152-R170 HydrophobicContact CB-CG 4.47Å; V152-R170 HydrophobicContact CG1-CG 4.06Å; V152-R170 PolarHBondContact O-NE 3.44Å; V152-I173 HydrophobicContact CG2-CB 3.55Å; V152-I173 HydrophobicContact CG2-CG1 3.91Å; V152-I173 HydrophobicContact CG2-CG2 3.35Å |
| 153 | V | 63.1 | Low | 66.7 | Low | 14 Ų | 14 | 48.4 Ų | 48.4 | 9% | 0.085 | 26% | 0.258 | C | S | . | . | G | 310 helix | trans | -78.7 | -22.4 | -171.2 | 179.3 | 0 | 0 | 0 | 0 | 113.8 | S151 L270 L500 Q501 | S151-V153 PolarHBondContact O-N 3.36Å; V153-L270 HydrophobicContact CG2-CD1 4.23Å; V153-L270 HydrophobicContact CG2-CD2 3.69Å; V153-L500 HydrophobicContact CG1-CB 3.52Å; V153-L500 HydrophobicContact CG1-CD1 4.29Å; V153-L500 HydrophobicContact CG1-CG 4.5Å; V153-Q501 HydrophobicContact CG1-CB 3.9Å; V153-Q501 HydrophobicContact CG1-CG 3.37Å; V153-Q501 HydrophobicContact CG2-CG 4.5Å |
| 154 | S | 57.4 | Low | 64.3 | Low | 20 Ų | 20 | 53.8 Ų | 53.8 | 14% | 0.14 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -60 | 143 | -177.2 | -57.9 | 0 | 0 | 0 | 0 | 110.5 | S151 I166 R170 | S151-S154 PolarHBondContact O-N 2.8Å; S154-I166 WeakPolarHBondContact OG-CD1 3.38Å; S154-R170 PolarHBondContact O-NH2 2.68Å |
| 155 | P | 49.9 | Very low | 62.2 | Low | 15 Ų | 15 | 56 Ų | 56 | 10% | 0.097 | 29% | 0.289 | C | S | . | . | trans | -70.2 | 161.5 | -173.9 | -13.1 | 25.9 | 0 | 0 | 0 | 113.9 | Y163 R1152 L1153 | P155-Y163 WeakPolarHBondContact O-CB 3.49Å; P155-R1152 WeakPolarHBondContact CD-O 3.3Å; P155-R1152 WeakPolarHBondContact CG-O 3.44Å; P155-L1153 WeakPolarHBondContact CB-O 3.42Å; P155-L1153 WeakPolarHBondContact CG-O 3.37Å | ||
| 156 | V | 44 | Very low | 60.7 | Low | 80 Ų | 80 | 56.4 Ų | 56.4 | 49% | 0.485 | 29% | 0.291 | S | S | . | . | trans | -99.6 | 93.4 | 168.7 | -176.8 | 0 | 0 | 0 | 0 | 108.3 | K158 | V156-K158 PolarHBondContact O-N 3.19Š| ||
| 157 | E | 40.7 | Very low | 59.6 | Low | 44 Ų | 44 | 58.5 Ų | 58.5 | 21% | 0.206 | 30% | 0.301 | C | S | . | . | trans | -76.5 | 117.3 | 162.5 | -83.8 | -172.9 | 119.9 | 0 | 0 | 108.8 | N159 S160 | E157-N159 VanDerWaalsContact C-N 3.31Å; E157-S160 VanDerWaalsContact CD-CB 3.44Å; E157-S160 VanDerWaalsContact CD-OG 3.25Å; E157-S160 WeakPolarHBondContact OE1-CB 3.45Å; E157-S160 PolarHBondContact OE1-OG 3.16Å; E157-S160 VanDerWaalsContact OE2-CB 3.26Å; E157-S160 WeakPolarHBondContact OE2-CB 3.18Å | ||
| 158 | K | 42.5 | Very low | 58.8 | Low | 177 Ų | 177 | 58.6 Ų | 58.6 | 77% | 0.77 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -68.9 | -28.3 | 173.5 | -79.5 | -178.1 | 176.7 | 176.1 | 0 | 112.7 | V156 | V156-K158 PolarHBondContact O-N 3.19Š|
| 159 | N | 38.4 | Very low | 58.4 | Low | 162 Ų | 162 | 58.7 Ų | 58.7 | 87% | 0.866 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -127.8 | 6.7 | -166.6 | -75.5 | -1.7 | 0 | 0 | 0 | 116.4 | E157 | E157-N159 VanDerWaalsContact C-N 3.31Š|
| 160 | S | 39.4 | Very low | 57.9 | Low | 52 Ų | 52 | 60.1 Ų | 60.1 | 36% | 0.364 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -123.6 | 134.6 | 171.8 | -33.3 | 0 | 0 | 0 | 0 | 108.9 | E157 P162 | E157-S160 VanDerWaalsContact CD-CB 3.44Å; E157-S160 VanDerWaalsContact CD-OG 3.25Å; E157-S160 WeakPolarHBondContact OE1-CB 3.45Å; E157-S160 PolarHBondContact OE1-OG 3.16Å; E157-S160 VanDerWaalsContact OE2-CB 3.26Å; E157-S160 WeakPolarHBondContact OE2-CB 3.18Å; S160-P162 VanDerWaalsContact O-CD 3.24Å; S160-P162 WeakPolarHBondContact O-CD 3.29Å |
| 161 | I | 42.7 | Very low | 57.8 | Low | 163 Ų | 163 | 59.6 Ų | 59.6 | 84% | 0.836 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -12.2 | -161.6 | -67.3 | 168.8 | 0 | 0 | 0 | 117.7 | ||
| 162 | P | 39.8 | Very low | 58.2 | Low | 56 Ų | 56 | 60 Ų | 60 | 36% | 0.364 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | -2.4 | -170.1 | 0.9 | 16.8 | 0 | 0 | 0 | 120 | S160 | S160-P162 VanDerWaalsContact O-CD 3.24Å; S160-P162 WeakPolarHBondContact O-CD 3.29Å |
| 163 | Y | 47.4 | Very low | 59 | Low | 69 Ų | 69 | 59.2 Ų | 59.2 | 27% | 0.271 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -127.1 | 1.4 | -171.5 | -63.1 | -69.2 | 0 | 0 | 0 | 118.4 | P155 E165 I166 | P155-Y163 WeakPolarHBondContact O-CB 3.49Å; Y163-E165 PolarHBondContact O-N 3.3Å; Y163-I166 HydrophobicContact CD1-CD1 3.76Å; Y163-I166 HydrophobicContact CE1-CD1 4.31Å; Y163-I166 PolarHBondContact O-N 2.58Å |
| 164 | K | 44.6 | Very low | 60.1 | Low | 147 Ų | 147 | 63.9 Ų | 63.9 | 64% | 0.639 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | -18.6 | 167.2 | -77.8 | -175.5 | 177 | 177.5 | 0 | 113.1 | D167 | K164-D167 WeakPolarHBondContact O-CB 3.33Š|
| 165 | E | 53.1 | Low | 61.6 | Low | 46 Ų | 46 | 68.4 Ų | 68.4 | 22% | 0.215 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | -33.2 | -176.1 | -52.1 | 169.3 | 177.9 | 0 | 0 | 113.3 | Q107 A110 Y163 D167 | Q107-E165 WeakPolarHBondContact CA-OE2 3.38Å; Q107-E165 VanDerWaalsContact CG-CD 3.41Å; Q107-E165 WeakPolarHBondContact CG-OE1 3.29Å; Q107-E165 WeakPolarHBondContact CG-OE2 3.4Å; Q107-E165 PolarHBondContact N-OE2 2.76Å; A110-E165 HydrophobicContact CB-CB 4.02Å; A110-E165 HydrophobicContact CB-CG 3.73Å; Y163-E165 PolarHBondContact O-N 3.3Å; E165-D167 VanDerWaalsContact C-N 3.31Å |
| 166 | I | 64 | Low | 63.6 | Low | 9 Ų | 9 | 67.8 Ų | 67.8 | 5% | 0.046 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -16.5 | -177.8 | -59.7 | 178.5 | 0 | 0 | 0 | 111.1 | W106 S151 S154 Y163 S168 V169 R170 | W106-I166 HydrophobicContact CB-CG1 4.43Å; W106-I166 HydrophobicContact CG-CG1 4.42Å; S151-I166 WeakPolarHBondContact O-CG2 3.41Å; S154-I166 WeakPolarHBondContact OG-CD1 3.38Å; Y163-I166 HydrophobicContact CD1-CD1 3.76Å; Y163-I166 HydrophobicContact CE1-CD1 4.31Å; Y163-I166 PolarHBondContact O-N 2.58Å; I166-S168 PolarHBondContact O-N 2.78Å; I166-V169 PolarHBondContact O-N 2.97Å; I166-V169 VanDerWaalsContact O-N 3.08Å; I166-R170 PolarHBondContact O-N 3.08Å |
| 167 | D | 68.5 | Low | 65.6 | Low | 52 Ų | 52 | 64.7 Ų | 64.7 | 28% | 0.278 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -58.6 | -37.4 | -179.5 | -69.3 | -24.3 | 0 | 0 | 0 | 112.1 | K164 E165 R170 A171 | K164-D167 WeakPolarHBondContact O-CB 3.33Å; E165-D167 VanDerWaalsContact C-N 3.31Å; D167-R170 PolarHBondContact O-N 2.86Å; D167-R170 IonicContact OD1-CZ 3.32Å; D167-R170 IonicContact OD1-NH1 2.92Å; D167-R170 PolarHBondContact OD1-NH1 3.26Å; D167-R170 IonicContact OD1-NH2 3.93Å; D167-A171 VanDerWaalsContact O-CB 3.31Å; D167-A171 WeakPolarHBondContact O-CB 3.38Å; D167-A171 PolarHBondContact O-N 3.15Å |
| 168 | S | 76.1 | Confident | 67.9 | Low | 39 Ų | 39 | 64.1 Ų | 64.1 | 27% | 0.273 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -61.5 | -45.2 | 175.6 | -59.9 | 0 | 0 | 0 | 0 | 111.9 | I166 L172 | I166-S168 PolarHBondContact O-N 2.78Å; S168-L172 WeakPolarHBondContact O-CD1 3.38Å; S168-L172 VanDerWaalsContact O-CG 3.27Å; S168-L172 WeakPolarHBondContact O-CG 3.41Å; S168-L172 PolarHBondContact O-N 3.34Å |
| 169 | V | 84.2 | Confident | 70.3 | Confident | 2 Ų | 2 | 56.1 Ų | 56.1 | 1% | 0.012 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65.3 | -46.8 | 176.6 | -176.7 | 0 | 0 | 0 | 0 | 109.9 | W106 F116 C148 I166 A171 L172 I173 | W106-V169 HydrophobicContact CD2-CG2 4.09Å; W106-V169 HydrophobicContact CE3-CG2 3.87Å; W106-V169 HydrophobicContact CH2-CG2 4.42Å; W106-V169 HydrophobicContact CZ3-CG2 4.07Å; F116-V169 HydrophobicContact CE1-CB 4.45Å; F116-V169 HydrophobicContact CE1-CG2 3.61Å; F116-V169 HydrophobicContact CZ-CG2 3.74Å; C148-V169 HydrophobicContact CB-CG1 3.94Å; C148-V169 WeakPolarHBondContact O-CG1 3.48Å; I166-V169 PolarHBondContact O-N 2.97Å; I166-V169 VanDerWaalsContact O-N 3.08Å; V169-A171 VanDerWaalsContact C-N 3.35Å; V169-A171 PolarHBondContact O-N 3.32Å; V169-L172 WeakPolarHBondContact O-CB 3.31Å; V169-L172 PolarHBondContact O-N 3.09Å; V169-L172 VanDerWaalsContact O-N 3.14Å; V169-I173 HydrophobicContact CG1-CG1 4.28Å; V169-I173 WeakPolarHBondContact O-CG1 3.49Å; V169-I173 PolarHBondContact O-N 3.38Å |
| 170 | R | 80.2 | Confident | 73 | Confident | 30 Ų | 30 | 49.3 Ų | 49.3 | 11% | 0.113 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59.8 | -44.9 | -178.6 | -163.8 | -174.6 | -57.3 | 108.9 | 2.6 | 111.8 | V152 S154 I166 D167 L172 I173 Q174 | V152-R170 HydrophobicContact CB-CG 4.47Å; V152-R170 HydrophobicContact CG1-CG 4.06Å; V152-R170 PolarHBondContact O-NE 3.44Å; S154-R170 PolarHBondContact O-NH2 2.68Å; I166-R170 PolarHBondContact O-N 3.08Å; D167-R170 PolarHBondContact O-N 2.86Å; D167-R170 IonicContact OD1-CZ 3.32Å; D167-R170 IonicContact OD1-NH1 2.92Å; D167-R170 PolarHBondContact OD1-NH1 3.26Å; D167-R170 IonicContact OD1-NH2 3.93Å; R170-L172 VanDerWaalsContact C-N 3.27Å; R170-L172 PolarHBondContact O-N 3.48Å; R170-I173 PolarHBondContact O-N 3.18Å; R170-Q174 HydrophobicContact CG-CG 4.46Å; R170-Q174 WeakPolarHBondContact O-CB 3.31Å; R170-Q174 WeakPolarHBondContact O-CG 3.33Å; R170-Q174 PolarHBondContact O-N 3.15Å |
| 171 | A | 83.5 | Confident | 75.6 | Confident | 48 Ų | 48 | 47 Ų | 47 | 40% | 0.397 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -61.4 | -35.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | D167 V169 K175 | D167-A171 VanDerWaalsContact O-CB 3.31Å; D167-A171 WeakPolarHBondContact O-CB 3.38Å; D167-A171 PolarHBondContact O-N 3.15Å; V169-A171 VanDerWaalsContact C-N 3.35Å; V169-A171 PolarHBondContact O-N 3.32Å; A171-K175 WeakPolarHBondContact O-CG 3.5Å |
| 172 | L | 89.1 | Confident | 78.1 | Confident | 16 Ų | 16 | 39.6 Ų | 39.6 | 8% | 0.084 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -70.3 | -45.4 | 175.4 | -66.8 | 165.1 | 0 | 0 | 0 | 111.5 | F116 A117 F120 S168 V169 R170 Q174 K175 | F116-L172 HydrophobicContact CD1-CD1 3.94Å; F116-L172 HydrophobicContact CE1-CD1 3.8Å; A117-L172 HydrophobicContact CB-CD1 4.43Å; A117-L172 HydrophobicContact CB-CD2 4.16Å; F120-L172 HydrophobicContact CB-CD1 3.84Å; F120-L172 HydrophobicContact CD1-CB 4.02Å; F120-L172 HydrophobicContact CD1-CD1 4.1Å; F120-L172 HydrophobicContact CD1-CD2 4.28Å; F120-L172 HydrophobicContact CD1-CG 4.36Å; F120-L172 HydrophobicContact CD2-CD1 4.42Å; F120-L172 HydrophobicContact CE1-CB 4.04Å; F120-L172 HydrophobicContact CG-CB 4.47Å; F120-L172 HydrophobicContact CG-CD1 3.86Å; S168-L172 WeakPolarHBondContact O-CD1 3.38Å; S168-L172 VanDerWaalsContact O-CG 3.27Å; S168-L172 WeakPolarHBondContact O-CG 3.41Å; S168-L172 PolarHBondContact O-N 3.34Å; V169-L172 WeakPolarHBondContact O-CB 3.31Å; V169-L172 PolarHBondContact O-N 3.09Å; V169-L172 VanDerWaalsContact O-N 3.14Å; R170-L172 VanDerWaalsContact C-N 3.27Å; R170-L172 PolarHBondContact O-N 3.48Å; L172-Q174 PolarHBondContact O-N 2.94Å; L172-K175 WeakPolarHBondContact O-CB 3.1Å; L172-K175 PolarHBondContact O-N 3.34Å |
| 173 | I | 90.2 | Very high | 80.7 | Confident | 2 Ų | 2 | 39.1 Ų | 39.1 | 1% | 0.01 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -66.3 | -38.1 | -180 | -61.6 | -58.8 | 0 | 0 | 0 | 112.4 | F120 C148 F149 V152 V169 R170 K175 L176 V177 | F120-I173 HydrophobicContact CE2-CD1 4.2Å; F120-I173 HydrophobicContact CZ-CD1 3.74Å; C148-I173 HydrophobicContact CB-CD1 3.94Å; C148-I173 HydrophobicContact CB-CG1 4.44Å; F149-I173 HydrophobicContact CD1-CD1 4.07Å; F149-I173 HydrophobicContact CD1-CG2 3.41Å; F149-I173 VanDerWaalsContact CD1-CG2 3.41Å; F149-I173 HydrophobicContact CD2-CD1 3.86Å; F149-I173 HydrophobicContact CE1-CD1 4.08Å; F149-I173 HydrophobicContact CE1-CG2 3.5Å; F149-I173 VanDerWaalsContact CE1-CG2 3.5Å; F149-I173 HydrophobicContact CE2-CD1 3.86Å; F149-I173 HydrophobicContact CG-CD1 3.97Å; F149-I173 HydrophobicContact CG-CG2 4.23Å; F149-I173 HydrophobicContact CZ-CD1 3.98Å; F149-I173 HydrophobicContact CZ-CG2 4.35Å; V152-I173 HydrophobicContact CG2-CB 3.55Å; V152-I173 HydrophobicContact CG2-CG1 3.91Å; V152-I173 HydrophobicContact CG2-CG2 3.35Å; V169-I173 HydrophobicContact CG1-CG1 4.28Å; V169-I173 WeakPolarHBondContact O-CG1 3.49Å; V169-I173 PolarHBondContact O-N 3.38Å; R170-I173 PolarHBondContact O-N 3.18Å; I173-K175 PolarHBondContact O-N 2.62Å; I173-L176 HydrophobicContact CD1-CD1 4.22Å; I173-L176 WeakPolarHBondContact O-CA 3.27Å; I173-L176 WeakPolarHBondContact O-CB 3.39Å; I173-L176 PolarHBondContact O-N 3.13Å; I173-V177 PolarHBondContact O-N 3.21Å; I173-V177 VanDerWaalsContact O-N 3.09Å |
| 174 | Q | 85.9 | Confident | 82.8 | Confident | 113 Ų | 113 | 36.5 Ų | 36.5 | 53% | 0.528 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -60.2 | -27 | 176.3 | -76 | 177.3 | -5.4 | 0 | 0 | 113.1 | R170 L172 L176 S178 | R170-Q174 HydrophobicContact CG-CG 4.46Å; R170-Q174 WeakPolarHBondContact O-CB 3.31Å; R170-Q174 WeakPolarHBondContact O-CG 3.33Å; R170-Q174 PolarHBondContact O-N 3.15Å; L172-Q174 PolarHBondContact O-N 2.94Å; Q174-L176 VanDerWaalsContact C-N 3.32Å; Q174-S178 PolarHBondContact O-OG 3.35Å |
| 175 | K | 88.5 | Confident | 85 | Confident | 115 Ų | 115 | 29.8 Ų | 29.8 | 50% | 0.5 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -70.9 | -27.4 | 172.5 | -65.6 | 175.4 | -177.9 | -176.4 | 0 | 112.8 | A171 L172 I173 | A171-K175 WeakPolarHBondContact O-CG 3.5Å; L172-K175 WeakPolarHBondContact O-CB 3.1Å; L172-K175 PolarHBondContact O-N 3.34Å; I173-K175 PolarHBondContact O-N 2.62Å |
| 176 | L | 91.9 | Very high | 86.6 | Confident | 2 Ų | 2 | 28.1 Ų | 28.1 | 1% | 0.01 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -85 | -32.1 | -179.8 | -55.1 | -176 | 0 | 0 | 0 | 112.5 | F120 M124 F149 I173 Q174 H225 F228 | F120-L176 HydrophobicContact CE1-CD1 3.89Å; F120-L176 HydrophobicContact CZ-CD1 3.86Å; M124-L176 HydrophobicContact CE-CD2 3.51Å; M124-L176 HydrophobicContact SD-CD2 3.94Å; F149-L176 HydrophobicContact CE2-CD1 4.24Å; F149-L176 HydrophobicContact CZ-CB 4.28Å; F149-L176 HydrophobicContact CZ-CD1 3.77Å; I173-L176 HydrophobicContact CD1-CD1 4.22Å; I173-L176 WeakPolarHBondContact O-CA 3.27Å; I173-L176 WeakPolarHBondContact O-CB 3.39Å; I173-L176 PolarHBondContact O-N 3.13Å; Q174-L176 VanDerWaalsContact C-N 3.32Å; L176-H225 HydrophobicContact CD2-CB 4.12Å; L176-F228 HydrophobicContact CD1-CD1 3.92Å; L176-F228 HydrophobicContact CD1-CE1 4.21Å; L176-F228 HydrophobicContact CD2-CB 4.14Å; L176-F228 HydrophobicContact CD2-CD1 4.2Å; L176-F228 HydrophobicContact CD2-CG 4.36Å |
| 177 | V | 87.8 | Confident | 87.7 | Confident | 14 Ų | 14 | 31 Ų | 31 | 9% | 0.085 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -130.5 | 97 | -175.6 | -172.3 | 0 | 0 | 0 | 0 | 111.1 | F149 I173 L229 I273 F276 F277 | F149-V177 HydrophobicContact CE1-CG2 3.7Å; F149-V177 HydrophobicContact CZ-CG2 4.43Å; I173-V177 PolarHBondContact O-N 3.21Å; I173-V177 VanDerWaalsContact O-N 3.09Å; V177-L229 HydrophobicContact CG2-CD1 3.39Å; V177-I273 HydrophobicContact CG1-CB 4.35Å; V177-I273 HydrophobicContact CG1-CG2 4.11Å; V177-I273 VanDerWaalsContact CG1-O 3.31Å; V177-I273 WeakPolarHBondContact CG1-O 3.36Å; V177-I273 HydrophobicContact CG2-CG2 4.32Å; V177-F276 HydrophobicContact CG1-CB 4.22Å; V177-F277 HydrophobicContact CG1-CB 4.33Å |
| 178 | S | 89.1 | Confident | 88.4 | Confident | 33 Ų | 33 | 32.9 Ų | 32.9 | 23% | 0.231 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -159.5 | 171.2 | 177.5 | 53.4 | 0 | 0 | 0 | 0 | 109.3 | Q174 P180 S181 | Q174-S178 PolarHBondContact O-OG 3.35Å; S178-P180 VanDerWaalsContact C-N 3.28Å; S178-P180 VanDerWaalsContact O-N 3.12Å; S178-P180 WeakPolarHBondContact OG-CD 3.41Å; S178-S181 WeakPolarHBondContact O-CB 3.37Å; S178-S181 PolarHBondContact O-N 3.39Å; S178-S181 PolarHBondContact O-OG 3.11Å |
| 179 | L | 92.5 | Very high | 88.8 | Confident | 8 Ų | 8 | 32.3 Ų | 32.3 | 4% | 0.042 | 18% | 0.175 | C | C | . | . | G | 310 helix | trans | -46.9 | -41.8 | 178.7 | -178.8 | 68 | 0 | 0 | 0 | 114.2 | S181 W182 L194 L200 V203 W204 F276 | L179-S181 PolarHBondContact O-N 3.29Å; L179-S181 VanDerWaalsContact O-N 3.11Å; L179-W182 HydrophobicContact CD1-CD2 3.78Å; L179-W182 HydrophobicContact CD1-CE3 3.42Å; L179-W182 VanDerWaalsContact CD1-CE3 3.42Å; L179-W182 HydrophobicContact CD1-CG 4.46Å; L179-W182 HydrophobicContact CD1-CH2 4.16Å; L179-W182 HydrophobicContact CD1-CZ2 4.46Å; L179-W182 HydrophobicContact CD1-CZ3 3.64Å; L179-W182 VanDerWaalsContact O-CB 3.32Å; L179-W182 WeakPolarHBondContact O-CB 3.27Å; L179-W182 PolarHBondContact O-N 3.19Å; L179-L194 HydrophobicContact CD1-CD2 4.4Å; L179-L200 HydrophobicContact CD1-CD2 4.43Å; L179-L200 HydrophobicContact CD2-CD2 4.25Å; L179-V203 HydrophobicContact CD2-CB 3.8Å; L179-V203 HydrophobicContact CD2-CG1 3.69Å; L179-W204 HydrophobicContact CD2-CB 4.28Å; L179-W204 HydrophobicContact CG-CE3 4.13Å; L179-W204 WeakPolarHBondContact O-CZ3 3.37Å; L179-F276 HydrophobicContact CB-CD1 4.14Å; L179-F276 HydrophobicContact CB-CE1 3.68Å; L179-F276 HydrophobicContact CB-CZ 4.15Å; L179-F276 HydrophobicContact CD1-CD1 4.3Å; L179-F276 HydrophobicContact CD1-CE1 4.03Å; L179-F276 HydrophobicContact CG-CE1 4.46Å |
| 180 | P | 94.5 | Very high | 89.2 | Confident | 20 Ų | 20 | 33.7 Ų | 33.7 | 13% | 0.13 | 18% | 0.18 | C | C | . | . | G | 310 helix | trans | -55.3 | -22 | 174.1 | -27.2 | 33.1 | 0 | 0 | 0 | 116.5 | S178 W182 V183 V207 R226 | S178-P180 VanDerWaalsContact C-N 3.28Å; S178-P180 VanDerWaalsContact O-N 3.12Å; S178-P180 WeakPolarHBondContact OG-CD 3.41Å; P180-W182 PolarHBondContact O-N 2.83Å; P180-V183 WeakPolarHBondContact O-CG1 3.37Å; P180-V183 PolarHBondContact O-N 3.28Å; P180-V183 VanDerWaalsContact O-N 3.17Å; P180-V207 HydrophobicContact CB-CG1 4.14Å; P180-V207 HydrophobicContact CG-CG1 3.93Å; P180-V207 HydrophobicContact CG-CG2 3.96Å; P180-R226 HydrophobicContact CB-CG 3.9Å |
| 181 | S | 94.2 | Very high | 89.6 | Confident | 4 Ų | 4 | 36.4 Ų | 36.4 | 3% | 0.028 | 20% | 0.196 | C | C | . | . | G | 310 helix | trans | -65.3 | -18.7 | 175.9 | 72 | 0 | 0 | 0 | 0 | 112.6 | S178 L179 V183 S184 R226 I280 | S178-S181 WeakPolarHBondContact O-CB 3.37Å; S178-S181 PolarHBondContact O-N 3.39Å; S178-S181 PolarHBondContact O-OG 3.11Å; L179-S181 PolarHBondContact O-N 3.29Å; L179-S181 VanDerWaalsContact O-N 3.11Å; S181-V183 PolarHBondContact O-N 3.28Å; S181-S184 WeakPolarHBondContact O-CB 3.42Å; S181-S184 PolarHBondContact O-N 2.94Å; S181-S184 PolarHBondContact O-OG 3.36Å; S181-R226 WeakPolarHBondContact CA-O 3.37Å; S181-R226 WeakPolarHBondContact CB-O 3.32Å; S181-I280 WeakPolarHBondContact OG-CD1 3.43Å |
| 182 | W | 95 | Very high | 89.6 | Confident | 6 Ų | 6 | 36 Ų | 36 | 2% | 0.023 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -64.4 | -2.5 | 171.7 | -71.6 | 4.1 | 0 | 0 | 0 | 114 | L179 P180 S184 L185 R190 L193 L194 L200 W204 F276 | L179-W182 HydrophobicContact CD1-CD2 3.78Å; L179-W182 HydrophobicContact CD1-CE3 3.42Å; L179-W182 VanDerWaalsContact CD1-CE3 3.42Å; L179-W182 HydrophobicContact CD1-CG 4.46Å; L179-W182 HydrophobicContact CD1-CH2 4.16Å; L179-W182 HydrophobicContact CD1-CZ2 4.46Å; L179-W182 HydrophobicContact CD1-CZ3 3.64Å; L179-W182 VanDerWaalsContact O-CB 3.32Å; L179-W182 WeakPolarHBondContact O-CB 3.27Å; L179-W182 PolarHBondContact O-N 3.19Å; P180-W182 PolarHBondContact O-N 2.83Å; W182-S184 PolarHBondContact O-N 3.31Å; W182-L185 HydrophobicContact CB-CD1 3.83Å; W182-L185 HydrophobicContact CB-CG 4.25Å; W182-L185 HydrophobicContact CD2-CD1 3.79Å; W182-L185 HydrophobicContact CE3-CD1 4.46Å; W182-L185 HydrophobicContact CG-CD1 3.48Å; W182-L185 VanDerWaalsContact CG-CD1 3.48Å; W182-L185 HydrophobicContact CG-CG 4.25Å; W182-L185 WeakPolarHBondContact O-CB 3.16Å; W182-L185 PolarHBondContact O-N 3.41Å; W182-R190 HydrophobicContact CB-CG 4.42Å; W182-R190 HydrophobicContact CE3-CG 4.45Å; W182-R190 WeakPolarHBondContact O-CD 3.14Å; W182-L193 HydrophobicContact CH2-CB 4.02Å; W182-L193 HydrophobicContact CH2-CD1 4.35Å; W182-L193 HydrophobicContact CZ2-CD1 4.36Å; W182-L193 HydrophobicContact CZ3-CB 3.95Å; W182-L194 HydrophobicContact CE3-CD2 4.05Å; W182-L194 HydrophobicContact CE3-CG 4.35Å; W182-L194 HydrophobicContact CZ3-CD2 3.73Å; W182-L194 HydrophobicContact CZ3-CG 4.13Å; W182-L200 HydrophobicContact CH2-CD1 4.1Å; W182-W204 HydrophobicContact CB-CH2 4.4Å; W182-W204 HydrophobicContact CB-CZ3 3.89Å; W182-F276 HydrophobicContact CZ2-CD1 4.2Å; W182-F276 PolarHBondContact NE1-O 3.24Å; W182-F276 VanDerWaalsContact NE1-O 3.11Å |
| 183 | V | 93.6 | Very high | 89.5 | Confident | 46 Ų | 46 | 37.5 Ų | 37.5 | 28% | 0.279 | 20% | 0.201 | S | C | . | . | G | 310 helix | trans | -58.5 | -24.6 | 163.2 | 74.3 | 0 | 0 | 0 | 0 | 112.1 | P180 S181 L185 W204 Y223 R226 T227 | P180-V183 WeakPolarHBondContact O-CG1 3.37Å; P180-V183 PolarHBondContact O-N 3.28Å; P180-V183 VanDerWaalsContact O-N 3.17Å; S181-V183 PolarHBondContact O-N 3.28Å; V183-L185 VanDerWaalsContact C-N 3.34Å; V183-W204 HydrophobicContact CB-CH2 4.3Å; V183-Y223 HydrophobicContact CG1-CD2 4.37Å; V183-Y223 HydrophobicContact CG1-CE2 4.27Å; V183-Y223 HydrophobicContact CG2-CD2 4.33Å; V183-Y223 HydrophobicContact CG2-CE2 3.99Å; V183-R226 HydrophobicContact CG1-CB 3.89Å; V183-T227 HydrophobicContact CG1-CG2 3.79Å |
| 184 | S | 91.5 | Very high | 89.6 | Confident | 14 Ų | 14 | 37.6 Ų | 37.6 | 10% | 0.098 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -81.8 | -8.1 | 174.9 | 64.4 | 0 | 0 | 0 | 0 | 114.6 | S181 W182 I280 | S181-S184 WeakPolarHBondContact O-CB 3.42Å; S181-S184 PolarHBondContact O-N 2.94Å; S181-S184 PolarHBondContact O-OG 3.36Å; W182-S184 PolarHBondContact O-N 3.31Å; S184-I280 WeakPolarHBondContact OG-CD1 3.19Å |
| 185 | L | 91.3 | Very high | 89.7 | Confident | 7 Ų | 7 | 36 Ų | 36 | 4% | 0.037 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -81.9 | 146.8 | 174.6 | -70.4 | 178.9 | 0 | 0 | 0 | 110.6 | W182 V183 R190 L193 A279 I280 A283 | W182-L185 HydrophobicContact CB-CD1 3.83Å; W182-L185 HydrophobicContact CB-CG 4.25Å; W182-L185 HydrophobicContact CD2-CD1 3.79Å; W182-L185 HydrophobicContact CE3-CD1 4.46Å; W182-L185 HydrophobicContact CG-CD1 3.48Å; W182-L185 VanDerWaalsContact CG-CD1 3.48Å; W182-L185 HydrophobicContact CG-CG 4.25Å; W182-L185 WeakPolarHBondContact O-CB 3.16Å; W182-L185 PolarHBondContact O-N 3.41Å; V183-L185 VanDerWaalsContact C-N 3.34Å; L185-R190 HydrophobicContact CB-CB 4.1Å; L185-L193 HydrophobicContact CD1-CD1 3.78Å; L185-A279 HydrophobicContact CD1-CB 4.21Å; L185-A279 HydrophobicContact CD2-CB 4.43Å; L185-A279 WeakPolarHBondContact CD2-O 3.3Å; L185-I280 HydrophobicContact CD2-CB 4.35Å; L185-I280 HydrophobicContact CD2-CG1 3.91Å; L185-I280 HydrophobicContact CG-CG1 4.12Å; L185-A283 HydrophobicContact CD2-CB 3.61Å |
| 186 | P | 86.8 | Confident | 89.5 | Confident | 10 Ų | 10 | 38.8 Ų | 38.8 | 7% | 0.065 | 22% | 0.215 | C | C | . | . | trans | -47.7 | 141.5 | 163.6 | -36.7 | 42.9 | 0 | 0 | 0 | 113.8 | E188 I189 R190 E429 | P186-E188 VanDerWaalsContact C-N 3.29Å; P186-E188 PolarHBondContact O-N 3.27Å; P186-I189 HydrophobicContact CB-CB 4.1Å; P186-I189 HydrophobicContact CB-CD1 3.91Å; P186-I189 HydrophobicContact CB-CG1 3.93Å; P186-I189 HydrophobicContact CG-CD1 3.83Å; P186-I189 HydrophobicContact CG-CG1 4.41Å; P186-I189 PolarHBondContact O-N 3.13Å; P186-R190 WeakPolarHBondContact O-CB 3.28Å; P186-R190 PolarHBondContact O-N 2.92Å; P186-E429 WeakPolarHBondContact CA-OE1 3.41Å; P186-E429 HydrophobicContact CB-CG 3.43Å; P186-E429 VanDerWaalsContact CB-CG 3.43Å; P186-E429 VanDerWaalsContact CB-OE1 3.29Å; P186-E429 WeakPolarHBondContact CB-OE1 3.35Å; P186-E429 HydrophobicContact CG-CG 3.75Å | ||
| 187 | T | 87.3 | Confident | 89.3 | Confident | 70 Ų | 70 | 41 Ų | 41 | 43% | 0.429 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -60.7 | -40.8 | -173.5 | -64.3 | 0 | 0 | 0 | 0 | 111.7 | N191 E429 | T187-N191 WeakPolarHBondContact O-CB 3.37Å; T187-N191 PolarHBondContact O-N 2.78Å; T187-N191 PolarHBondContact O-ND2 2.86Å; T187-E429 PolarHBondContact N-OE1 3.1Å |
| 188 | E | 83 | Confident | 89.4 | Confident | 91 Ų | 91 | 44.2 Ų | 44.2 | 43% | 0.425 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -65.8 | -49 | 178.6 | -62.9 | -176.5 | 178.9 | 0 | 0 | 112 | P186 R190 N191 A192 H426 | P186-E188 VanDerWaalsContact C-N 3.29Å; P186-E188 PolarHBondContact O-N 3.27Å; E188-R190 VanDerWaalsContact C-N 3.35Å; E188-R190 PolarHBondContact O-N 3.07Å; E188-N191 PolarHBondContact O-N 3.49Å; E188-A192 WeakPolarHBondContact O-CB 3.18Å; E188-A192 PolarHBondContact O-N 3.44Å; E188-H426 IonicContact OE2-CE1 3.9Å; E188-H426 IonicContact OE2-CG 2.71Å; E188-H426 IonicContact OE2-ND1 3.68Å; E188-H426 PolarHBondContact OE2-ND1 3.01Å |
| 189 | I | 85.5 | Confident | 89.4 | Confident | 28 Ų | 28 | 50.6 Ų | 50.6 | 14% | 0.144 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.2 | -47.1 | 177.3 | -62.2 | -179.2 | 0 | 0 | 0 | 110.5 | P186 N191 A192 L193 A283 H426 | P186-I189 HydrophobicContact CB-CB 4.1Å; P186-I189 HydrophobicContact CB-CD1 3.91Å; P186-I189 HydrophobicContact CB-CG1 3.93Å; P186-I189 HydrophobicContact CG-CD1 3.83Å; P186-I189 HydrophobicContact CG-CG1 4.41Å; P186-I189 PolarHBondContact O-N 3.13Å; I189-N191 PolarHBondContact O-N 3.26Å; I189-A192 PolarHBondContact O-N 3.27Å; I189-L193 HydrophobicContact CG2-CD1 4.03Å; I189-L193 HydrophobicContact CG2-CG 4.43Å; I189-L193 WeakPolarHBondContact O-CG 3.47Å; I189-L193 PolarHBondContact O-N 2.94Å; I189-A283 HydrophobicContact CD1-CB 3.93Å; I189-H426 WeakPolarHBondContact CD1-O 3.2Å; I189-H426 WeakPolarHBondContact CG1-O 3.35Å |
| 190 | R | 91.2 | Very high | 89.3 | Confident | 31 Ų | 31 | 51.4 Ų | 51.4 | 12% | 0.117 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59.3 | -47.3 | 177.6 | -178.7 | 178.2 | 65.3 | -147.5 | -0.9 | 111.2 | W182 L185 P186 E188 A192 L193 L194 W204 | W182-R190 HydrophobicContact CB-CG 4.42Å; W182-R190 HydrophobicContact CE3-CG 4.45Å; W182-R190 WeakPolarHBondContact O-CD 3.14Å; L185-R190 HydrophobicContact CB-CB 4.1Å; P186-R190 WeakPolarHBondContact O-CB 3.28Å; P186-R190 PolarHBondContact O-N 2.92Å; E188-R190 VanDerWaalsContact C-N 3.35Å; E188-R190 PolarHBondContact O-N 3.07Å; R190-A192 VanDerWaalsContact C-N 3.33Å; R190-A192 PolarHBondContact O-N 3.2Å; R190-L193 PolarHBondContact O-N 3.38Å; R190-L194 HydrophobicContact CG-CD1 3.83Å; R190-L194 HydrophobicContact CG-CG 4.32Å; R190-L194 WeakPolarHBondContact O-CB 3.48Å; R190-L194 VanDerWaalsContact O-CG 3.24Å; R190-L194 WeakPolarHBondContact O-CG 3.35Å; R190-L194 PolarHBondContact O-N 2.81Å; R190-W204 VanDerWaalsContact CD-CZ2 3.49Å |
| 191 | N | 89.8 | Confident | 89.3 | Confident | 87 Ų | 87 | 54.7 Ų | 54.7 | 47% | 0.465 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -64.4 | -39.2 | 179.9 | -73.3 | -20.4 | 0 | 0 | 0 | 111.7 | T187 E188 I189 L194 S195 | T187-N191 WeakPolarHBondContact O-CB 3.37Å; T187-N191 PolarHBondContact O-N 2.78Å; T187-N191 PolarHBondContact O-ND2 2.86Å; E188-N191 PolarHBondContact O-N 3.49Å; I189-N191 PolarHBondContact O-N 3.26Å; N191-L194 PolarHBondContact O-N 3.29Å; N191-S195 WeakPolarHBondContact O-CB 3.36Å; N191-S195 PolarHBondContact O-N 3.13Å |
| 192 | A | 82.9 | Confident | 89.3 | Confident | 38 Ų | 38 | 62.4 Ų | 62.4 | 31% | 0.314 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -61.9 | -47.4 | 174 | 0 | 0 | 0 | 0 | 0 | 111.5 | E188 I189 R190 S195 K196 | E188-A192 WeakPolarHBondContact O-CB 3.18Å; E188-A192 PolarHBondContact O-N 3.44Å; I189-A192 PolarHBondContact O-N 3.27Å; R190-A192 VanDerWaalsContact C-N 3.33Å; R190-A192 PolarHBondContact O-N 3.2Å; A192-S195 PolarHBondContact O-N 2.96Å; A192-S195 PolarHBondContact O-OG 3.09Å; A192-K196 PolarHBondContact O-N 2.98Å |
| 193 | L | 87.5 | Confident | 89.1 | Confident | 49 Ų | 49 | 65.3 Ų | 65.3 | 26% | 0.257 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -61.8 | -44.5 | 176.2 | -69.8 | 172.5 | 0 | 0 | 0 | 112.3 | W182 L185 I189 R190 S195 K196 A279 | W182-L193 HydrophobicContact CH2-CB 4.02Å; W182-L193 HydrophobicContact CH2-CD1 4.35Å; W182-L193 HydrophobicContact CZ2-CD1 4.36Å; W182-L193 HydrophobicContact CZ3-CB 3.95Å; L185-L193 HydrophobicContact CD1-CD1 3.78Å; I189-L193 HydrophobicContact CG2-CD1 4.03Å; I189-L193 HydrophobicContact CG2-CG 4.43Å; I189-L193 WeakPolarHBondContact O-CG 3.47Å; I189-L193 PolarHBondContact O-N 2.94Å; R190-L193 PolarHBondContact O-N 3.38Å; L193-S195 VanDerWaalsContact C-N 3.3Å; L193-S195 PolarHBondContact O-N 3.16Å; L193-K196 PolarHBondContact O-N 2.91Å; L193-A279 HydrophobicContact CD1-CB 3.86Å |
| 194 | L | 91.4 | Very high | 89.2 | Confident | 4 Ų | 4 | 64 Ų | 64 | 2% | 0.021 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -66.8 | -30.9 | 177 | -68.1 | 172.5 | 0 | 0 | 0 | 112.4 | L179 W182 R190 N191 K196 N197 L200 K201 W204 | L179-L194 HydrophobicContact CD1-CD2 4.4Å; W182-L194 HydrophobicContact CE3-CD2 4.05Å; W182-L194 HydrophobicContact CE3-CG 4.35Å; W182-L194 HydrophobicContact CZ3-CD2 3.73Å; W182-L194 HydrophobicContact CZ3-CG 4.13Å; R190-L194 HydrophobicContact CG-CD1 3.83Å; R190-L194 HydrophobicContact CG-CG 4.32Å; R190-L194 WeakPolarHBondContact O-CB 3.48Å; R190-L194 VanDerWaalsContact O-CG 3.24Å; R190-L194 WeakPolarHBondContact O-CG 3.35Å; R190-L194 PolarHBondContact O-N 2.81Å; N191-L194 PolarHBondContact O-N 3.29Å; L194-K196 VanDerWaalsContact C-N 3.27Å; L194-K196 PolarHBondContact O-N 3.45Å; L194-N197 CarbonylContact O-C 3.6Å; L194-N197 PolarHBondContact O-N 3.47Å; L194-N197 VanDerWaalsContact O-O 3.07Å; L194-L200 HydrophobicContact CD2-CB 4.05Å; L194-K201 HydrophobicContact CB-CB 4.24Å; L194-K201 HydrophobicContact CB-CG 4.37Å; L194-W204 HydrophobicContact CD1-CB 4.04Å; L194-W204 HydrophobicContact CD1-CD2 4.13Å; L194-W204 HydrophobicContact CD1-CG 3.66Å; L194-W204 HydrophobicContact CD2-CB 3.93Å; L194-W204 HydrophobicContact CD2-CG 4.34Å |
| 195 | S | 88 | Confident | 89.4 | Confident | 80 Ų | 80 | 70.9 Ų | 70.9 | 56% | 0.559 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -65.2 | -31.5 | 177.3 | 78.4 | 0 | 0 | 0 | 0 | 112.6 | N191 A192 L193 N197 | N191-S195 WeakPolarHBondContact O-CB 3.36Å; N191-S195 PolarHBondContact O-N 3.13Å; A192-S195 PolarHBondContact O-N 2.96Å; A192-S195 PolarHBondContact O-OG 3.09Å; L193-S195 VanDerWaalsContact C-N 3.3Å; L193-S195 PolarHBondContact O-N 3.16Å; S195-N197 VanDerWaalsContact C-N 3.3Å; S195-N197 PolarHBondContact O-N 3.45Å |
| 196 | K | 84.3 | Confident | 89.5 | Confident | 173 Ų | 173 | 73.3 Ų | 73.3 | 75% | 0.752 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -72.7 | -20.4 | 176.8 | -64.5 | 179.1 | -178.6 | -176.4 | 0 | 113.1 | A192 L193 L194 | A192-K196 PolarHBondContact O-N 2.98Å; L193-K196 PolarHBondContact O-N 2.91Å; L194-K196 VanDerWaalsContact C-N 3.27Å; L194-K196 PolarHBondContact O-N 3.45Å |
| 197 | N | 87.1 | Confident | 89.8 | Confident | 47 Ų | 47 | 74 Ų | 74 | 25% | 0.251 | 39% | 0.385 | S | S | . | . | trans | -135.4 | 97.8 | -178.2 | -167.7 | -47.4 | 0 | 0 | 0 | 112.2 | L194 S195 K199 L200 K201 L322 | L194-N197 CarbonylContact O-C 3.6Å; L194-N197 PolarHBondContact O-N 3.47Å; L194-N197 VanDerWaalsContact O-O 3.07Å; S195-N197 VanDerWaalsContact C-N 3.3Å; S195-N197 PolarHBondContact O-N 3.45Å; N197-K199 PolarHBondContact O-N 2.83Å; N197-K199 WeakPolarHBondContact OD1-CB 3.31Å; N197-K199 PolarHBondContact OD1-N 3.33Å; N197-K199 VanDerWaalsContact OD1-N 3.09Å; N197-L200 HydrophobicContact CB-CB 4.15Å; N197-L200 HydrophobicContact CB-CD1 4.06Å; N197-L200 HydrophobicContact CB-CG 4.11Å; N197-L200 PolarHBondContact O-N 2.9Å; N197-L200 VanDerWaalsContact O-N 3.14Å; N197-L200 PolarHBondContact OD1-N 2.81Å; N197-K201 PolarHBondContact O-N 2.83Å; N197-L322 HydrophobicContact CB-CD1 4.13Å | ||
| 198 | A | 90 | Very high | 90.1 | Very high | 83 Ų | 83 | 75 Ų | 75 | 69% | 0.686 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -57.9 | -32.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | K201 K202 | A198-K201 PolarHBondContact O-N 2.77Å; A198-K202 PolarHBondContact O-N 2.87Å; A198-K202 VanDerWaalsContact O-N 3.08Å |
| 199 | K | 90 | Very high | 90.6 | Very high | 167 Ų | 167 | 77.2 Ų | 77.2 | 73% | 0.726 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -66.9 | -47.8 | 177.2 | -174.4 | -179.6 | 179.6 | 179.9 | 0 | 110.5 | N197 K201 K202 V203 | N197-K199 PolarHBondContact O-N 2.83Å; N197-K199 WeakPolarHBondContact OD1-CB 3.31Å; N197-K199 PolarHBondContact OD1-N 3.33Å; N197-K199 VanDerWaalsContact OD1-N 3.09Å; K199-K201 VanDerWaalsContact C-N 3.34Å; K199-K201 PolarHBondContact O-N 3.08Å; K199-K202 WeakPolarHBondContact O-CB 3.22Å; K199-K202 PolarHBondContact O-N 2.77Å; K199-V203 WeakPolarHBondContact O-CG2 3.04Å; K199-V203 PolarHBondContact O-N 2.81Å |
| 200 | L | 90.6 | Very high | 90.9 | Very high | 25 Ų | 25 | 81.2 Ų | 81.2 | 13% | 0.131 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -64.1 | -38.8 | 176.3 | -65.8 | -178 | 0 | 0 | 0 | 112 | L179 W182 L194 N197 K202 V203 W204 L322 | L179-L200 HydrophobicContact CD1-CD2 4.43Å; L179-L200 HydrophobicContact CD2-CD2 4.25Å; W182-L200 HydrophobicContact CH2-CD1 4.1Å; L194-L200 HydrophobicContact CD2-CB 4.05Å; N197-L200 HydrophobicContact CB-CB 4.15Å; N197-L200 HydrophobicContact CB-CD1 4.06Å; N197-L200 HydrophobicContact CB-CG 4.11Å; N197-L200 PolarHBondContact O-N 2.9Å; N197-L200 VanDerWaalsContact O-N 3.14Å; N197-L200 PolarHBondContact OD1-N 2.81Å; L200-K202 VanDerWaalsContact C-N 3.28Å; L200-K202 PolarHBondContact O-N 3.01Å; L200-V203 PolarHBondContact O-N 3Å; L200-W204 WeakPolarHBondContact O-CB 3.47Å; L200-W204 PolarHBondContact O-N 3.41Å; L200-L322 HydrophobicContact CD1-CD1 3.7Å; L200-L322 HydrophobicContact CD1-CD2 3.68Å; L200-L322 HydrophobicContact CD1-CG 4.34Å |
| 201 | K | 93.7 | Very high | 91 | Very high | 88 Ų | 88 | 81.2 Ų | 81.2 | 38% | 0.383 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -58.3 | -39.5 | 173.6 | -167.8 | 171.1 | -176.9 | 171.5 | 0 | 112.5 | L194 N197 A198 K199 R205 | L194-K201 HydrophobicContact CB-CB 4.24Å; L194-K201 HydrophobicContact CB-CG 4.37Å; N197-K201 PolarHBondContact O-N 2.83Å; A198-K201 PolarHBondContact O-N 2.77Å; K199-K201 VanDerWaalsContact C-N 3.34Å; K199-K201 PolarHBondContact O-N 3.08Å; K201-R205 WeakPolarHBondContact O-CG 3.48Å; K201-R205 PolarHBondContact O-N 2.94Å |
| 202 | K | 94.9 | Very high | 91.1 | Very high | 166 Ų | 166 | 81.6 Ų | 81.6 | 72% | 0.722 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -67.2 | -44.3 | 175 | -174 | 179.6 | 179.1 | -179.8 | 0 | 111.9 | A198 K199 L200 R205 A206 | A198-K202 PolarHBondContact O-N 2.87Å; A198-K202 VanDerWaalsContact O-N 3.08Å; K199-K202 WeakPolarHBondContact O-CB 3.22Å; K199-K202 PolarHBondContact O-N 2.77Å; L200-K202 VanDerWaalsContact C-N 3.28Å; L200-K202 PolarHBondContact O-N 3.01Å; K202-R205 PolarHBondContact O-N 2.88Å; K202-A206 PolarHBondContact O-N 3.36Å |
| 203 | V | 91.2 | Very high | 91.7 | Very high | 68 Ų | 68 | 87.2 Ų | 87.2 | 41% | 0.412 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -64.4 | -41.9 | 177.7 | 179.9 | 0 | 0 | 0 | 0 | 110.7 | L179 K199 L200 R205 A206 V207 | L179-V203 HydrophobicContact CD2-CB 3.8Å; L179-V203 HydrophobicContact CD2-CG1 3.69Å; K199-V203 WeakPolarHBondContact O-CG2 3.04Å; K199-V203 PolarHBondContact O-N 2.81Å; L200-V203 PolarHBondContact O-N 3Å; V203-R205 PolarHBondContact O-N 2.53Å; V203-A206 WeakPolarHBondContact O-CA 3.46Å; V203-A206 WeakPolarHBondContact O-CB 3.38Å; V203-A206 PolarHBondContact O-N 2.91Å; V203-A206 VanDerWaalsContact O-N 3.09Å; V203-V207 WeakPolarHBondContact O-CG2 3.45Å; V203-V207 PolarHBondContact O-N 3.16Å |
| 204 | W | 94.8 | Very high | 91.9 | Very high | 18 Ų | 18 | 87.1 Ų | 87.1 | 7% | 0.068 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -58 | -47.9 | 176.2 | -178.6 | -93.7 | 0 | 0 | 0 | 112.3 | L179 W182 V183 R190 L194 L200 A206 V207 E208 | L179-W204 HydrophobicContact CD2-CB 4.28Å; L179-W204 HydrophobicContact CG-CE3 4.13Å; L179-W204 WeakPolarHBondContact O-CZ3 3.37Å; W182-W204 HydrophobicContact CB-CH2 4.4Å; W182-W204 HydrophobicContact CB-CZ3 3.89Å; V183-W204 HydrophobicContact CB-CH2 4.3Å; R190-W204 VanDerWaalsContact CD-CZ2 3.49Å; L194-W204 HydrophobicContact CD1-CB 4.04Å; L194-W204 HydrophobicContact CD1-CD2 4.13Å; L194-W204 HydrophobicContact CD1-CG 3.66Å; L194-W204 HydrophobicContact CD2-CB 3.93Å; L194-W204 HydrophobicContact CD2-CG 4.34Å; L200-W204 WeakPolarHBondContact O-CB 3.47Å; L200-W204 PolarHBondContact O-N 3.41Å; W204-A206 PolarHBondContact O-N 3.31Å; W204-V207 WeakPolarHBondContact O-CA 3.31Å; W204-V207 WeakPolarHBondContact O-CB 3.19Å; W204-V207 PolarHBondContact O-N 3.39Å; W204-E208 PolarHBondContact NE1-OE1 3.13Å; W204-E208 PolarHBondContact O-N 3.07Å |
| 205 | R | 95.2 | Very high | 92.1 | Very high | 158 Ų | 158 | 89.6 Ų | 89.6 | 60% | 0.596 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -59.7 | -34.4 | 174.8 | -72.3 | 175.8 | 176.8 | 179.7 | -2.9 | 112.9 | K201 K202 V203 K209 | K201-R205 WeakPolarHBondContact O-CG 3.48Å; K201-R205 PolarHBondContact O-N 2.94Å; K202-R205 PolarHBondContact O-N 2.88Å; V203-R205 PolarHBondContact O-N 2.53Å; R205-K209 WeakPolarHBondContact O-CB 3.39Å; R205-K209 PolarHBondContact O-N 2.79Å |
| 206 | A | 94.1 | Very high | 92.3 | Very high | 59 Ų | 59 | 91.3 Ų | 91.3 | 49% | 0.488 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -69.6 | -37.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | K202 V203 W204 K209 H210 | K202-A206 PolarHBondContact O-N 3.36Å; V203-A206 WeakPolarHBondContact O-CA 3.46Å; V203-A206 WeakPolarHBondContact O-CB 3.38Å; V203-A206 PolarHBondContact O-N 2.91Å; V203-A206 VanDerWaalsContact O-N 3.09Å; W204-A206 PolarHBondContact O-N 3.31Å; A206-K209 PolarHBondContact O-N 3.08Å; A206-H210 WeakPolarHBondContact O-CB 3.42Å; A206-H210 PolarHBondContact O-N 3.09Å |
| 207 | V | 92.3 | Very high | 92.6 | Very high | 23 Ų | 23 | 88.7 Ų | 88.7 | 14% | 0.139 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -61.5 | -49.3 | 172.2 | 172.7 | 0 | 0 | 0 | 0 | 110.2 | P180 V203 W204 K209 H210 D211 | P180-V207 HydrophobicContact CB-CG1 4.14Å; P180-V207 HydrophobicContact CG-CG1 3.93Å; P180-V207 HydrophobicContact CG-CG2 3.96Å; V203-V207 WeakPolarHBondContact O-CG2 3.45Å; V203-V207 PolarHBondContact O-N 3.16Å; W204-V207 WeakPolarHBondContact O-CA 3.31Å; W204-V207 WeakPolarHBondContact O-CB 3.19Å; W204-V207 PolarHBondContact O-N 3.39Å; V207-K209 VanDerWaalsContact C-N 3.31Å; V207-K209 PolarHBondContact O-N 3.04Å; V207-H210 WeakPolarHBondContact O-CB 3.37Å; V207-H210 PolarHBondContact O-N 2.88Å; V207-D211 VanDerWaalsContact O-CG 3.24Å; V207-D211 PolarHBondContact O-N 3.27Å |
| 208 | E | 93.6 | Very high | 92.9 | Very high | 93 Ų | 93 | 91.8 Ų | 91.8 | 44% | 0.435 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -58.3 | -42.9 | 177.4 | -69.1 | 174.8 | 146.3 | 0 | 0 | 112 | W204 H210 D211 S212 | W204-E208 PolarHBondContact NE1-OE1 3.13Å; W204-E208 PolarHBondContact O-N 3.07Å; E208-H210 PolarHBondContact O-N 2.95Å; E208-D211 PolarHBondContact O-N 3.31Å; E208-S212 PolarHBondContact O-N 2.69Å; E208-S212 VanDerWaalsContact O-N 3.08Å |
| 209 | K | 94.9 | Very high | 93 | Very high | 137 Ų | 137 | 94.3 Ų | 94.3 | 60% | 0.596 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -64.5 | -38.9 | 175.4 | -174.1 | 178.3 | -177.7 | 178.3 | 0 | 112.1 | R205 A206 V207 S212 | R205-K209 WeakPolarHBondContact O-CB 3.39Å; R205-K209 PolarHBondContact O-N 2.79Å; A206-K209 PolarHBondContact O-N 3.08Å; V207-K209 VanDerWaalsContact C-N 3.31Å; V207-K209 PolarHBondContact O-N 3.04Å; K209-S212 PolarHBondContact O-OG 3.33Å |
| 210 | H | 92.2 | Very high | 93.2 | Very high | 111 Ų | 111 | 91.8 Ų | 91.8 | 51% | 0.514 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -67.2 | -43.8 | 176.5 | -175.1 | -74.5 | 0 | 0 | 0 | 111.1 | A206 V207 E208 S212 K213 M214 | A206-H210 WeakPolarHBondContact O-CB 3.42Å; A206-H210 PolarHBondContact O-N 3.09Å; V207-H210 WeakPolarHBondContact O-CB 3.37Å; V207-H210 PolarHBondContact O-N 2.88Å; E208-H210 PolarHBondContact O-N 2.95Å; H210-S212 VanDerWaalsContact C-N 3.26Å; H210-S212 PolarHBondContact O-N 3.26Å; H210-K213 WeakPolarHBondContact O-CB 3.17Å; H210-K213 PolarHBondContact O-N 3.31Å; H210-M214 WeakPolarHBondContact CE1-CE 3.45Å; H210-M214 VanDerWaalsContact ND1-CE 3.32Å; H210-M214 WeakPolarHBondContact ND1-CE 3.41Å; H210-M214 PolarHBondContact O-N 2.99Å |
| 211 | D | 91.8 | Very high | 93.3 | Very high | 31 Ų | 31 | 93.3 Ų | 93.3 | 17% | 0.166 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -60.7 | -35.6 | 178.2 | -69.5 | -13.6 | 0 | 0 | 0 | 112.3 | V207 E208 K213 M214 R226 | V207-D211 VanDerWaalsContact O-CG 3.24Å; V207-D211 PolarHBondContact O-N 3.27Å; E208-D211 PolarHBondContact O-N 3.31Å; D211-K213 PolarHBondContact O-N 2.78Å; D211-K213 VanDerWaalsContact O-N 3.16Å; D211-M214 PolarHBondContact O-N 2.78Å; D211-R226 VanDerWaalsContact CG-NH1 3.27Å; D211-R226 IonicContact OD1-CZ 3.67Å; D211-R226 IonicContact OD1-NH1 2.81Å; D211-R226 PolarHBondContact OD1-NH1 3.21Å; D211-R226 IonicContact OD1-NH2 3.63Å; D211-R226 PolarHBondContact OD1-NH2 2.89Å; D211-R226 IonicContact OD2-CZ 2.88Å; D211-R226 IonicContact OD2-NH1 3.74Å; D211-R226 PolarHBondContact OD2-NH1 2.85Å; D211-R226 IonicContact OD2-NH2 2.97Å |
| 212 | S | 92.1 | Very high | 93.2 | Very high | 95 Ų | 95 | 89.9 Ų | 89.9 | 66% | 0.664 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -14.7 | 175.5 | 73.8 | 0 | 0 | 0 | 0 | 114.4 | E208 K209 H210 | E208-S212 PolarHBondContact O-N 2.69Å; E208-S212 VanDerWaalsContact O-N 3.08Å; K209-S212 PolarHBondContact O-OG 3.33Å; H210-S212 VanDerWaalsContact C-N 3.26Å; H210-S212 PolarHBondContact O-N 3.26Å |
| 213 | K | 94.9 | Very high | 93.2 | Very high | 157 Ų | 157 | 87.5 Ų | 87.5 | 68% | 0.683 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.2 | -10.6 | 179.8 | -62.4 | 179.3 | 176.9 | -169.2 | 0 | 113.7 | H210 D211 | H210-K213 WeakPolarHBondContact O-CB 3.17Å; H210-K213 PolarHBondContact O-N 3.31Å; D211-K213 PolarHBondContact O-N 2.78Å; D211-K213 VanDerWaalsContact O-N 3.16Å |
| 214 | M | 92.8 | Very high | 93.4 | Very high | 46 Ų | 46 | 85.9 Ų | 85.9 | 23% | 0.227 | 41% | 0.414 | C | S | . | . | S | Bend | trans | -71.8 | 148.6 | 178.5 | -70.8 | 178.2 | 162.7 | 0 | 0 | 110.5 | H210 D211 E218 R219 A222 | H210-M214 WeakPolarHBondContact CE1-CE 3.45Å; H210-M214 VanDerWaalsContact ND1-CE 3.32Å; H210-M214 WeakPolarHBondContact ND1-CE 3.41Å; H210-M214 PolarHBondContact O-N 2.99Å; D211-M214 PolarHBondContact O-N 2.78Å; M214-E218 HydrophobicContact CB-CB 4.04Å; M214-E218 HydrophobicContact CG-CB 4.42Å; M214-R219 HydrophobicContact CB-CB 4.32Å; M214-A222 HydrophobicContact CE-CB 4.41Å; M214-A222 HydrophobicContact SD-CB 4.29Å |
| 215 | S | 94.6 | Very high | 93.4 | Very high | 57 Ų | 57 | 85.9 Ų | 85.9 | 40% | 0.399 | 42% | 0.415 | S | S | . | . | trans | -60.7 | 161.3 | 164.8 | 63.4 | 0 | 0 | 0 | 0 | 111.1 | D217 E218 R219 | S215-D217 VanDerWaalsContact C-N 3.27Å; S215-D217 PolarHBondContact O-N 2.81Å; S215-E218 WeakPolarHBondContact CB-OE2 3.43Å; S215-E218 PolarHBondContact N-OE2 3.28Å; S215-E218 PolarHBondContact O-N 3.06Å; S215-E218 WeakPolarHBondContact OG-CB 3.36Å; S215-E218 WeakPolarHBondContact OG-CG 3.17Å; S215-E218 PolarHBondContact OG-N 3.45Å; S215-E218 PolarHBondContact OG-OE2 2.83Å; S215-R219 WeakPolarHBondContact O-CB 3.45Å; S215-R219 PolarHBondContact O-N 3.48Å | ||
| 216 | E | 92.3 | Very high | 93.4 | Very high | 116 Ų | 116 | 80.1 Ų | 80.1 | 54% | 0.542 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -59.9 | -39.6 | -178.7 | -166.2 | -176.5 | 155 | 0 | 0 | 112.2 | R219 K220 | E216-R219 PolarHBondContact O-N 3.19Å; E216-K220 HydrophobicContact CG-CD 4.49Å; E216-K220 WeakPolarHBondContact O-CG 3.38Å; E216-K220 PolarHBondContact O-N 3.43Å; E216-K220 WeakPolarHBondContact OE1-CE 3.48Å; E216-K220 IonicContact OE1-NZ 2.89Å; E216-K220 PolarHBondContact OE1-NZ 2.98Å |
| 217 | D | 92.5 | Very high | 93.4 | Very high | 118 Ų | 118 | 77.4 Ų | 77.4 | 63% | 0.631 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -70.3 | -42.6 | 179.6 | -67.5 | -29.4 | 0 | 0 | 0 | 112.2 | S215 R219 K220 D221 | S215-D217 VanDerWaalsContact C-N 3.27Å; S215-D217 PolarHBondContact O-N 2.81Å; D217-R219 VanDerWaalsContact C-N 3.29Å; D217-R219 PolarHBondContact O-N 2.95Å; D217-K220 PolarHBondContact O-N 2.9Å; D217-D221 WeakPolarHBondContact O-CB 3.17Å; D217-D221 PolarHBondContact O-N 3.34Å |
| 218 | E | 92.7 | Very high | 93.6 | Very high | 112 Ų | 112 | 76.3 Ų | 76.3 | 52% | 0.523 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -60.4 | -40.5 | 173.2 | -74.3 | 168.2 | 144.2 | 0 | 0 | 111.4 | M214 S215 D221 A222 | M214-E218 HydrophobicContact CB-CB 4.04Å; M214-E218 HydrophobicContact CG-CB 4.42Å; S215-E218 WeakPolarHBondContact CB-OE2 3.43Å; S215-E218 PolarHBondContact N-OE2 3.28Å; S215-E218 PolarHBondContact O-N 3.06Å; S215-E218 WeakPolarHBondContact OG-CB 3.36Å; S215-E218 WeakPolarHBondContact OG-CG 3.17Å; S215-E218 PolarHBondContact OG-N 3.45Å; S215-E218 PolarHBondContact OG-OE2 2.83Å; E218-D221 PolarHBondContact O-N 2.92Å; E218-A222 VanDerWaalsContact O-CB 3.25Å; E218-A222 WeakPolarHBondContact O-CB 3.49Å; E218-A222 PolarHBondContact O-N 3.36Å |
| 219 | R | 91.8 | Very high | 93.7 | Very high | 136 Ų | 136 | 72.4 Ų | 72.4 | 51% | 0.513 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -67.7 | -41 | 178.2 | -172.8 | 175.8 | 60.9 | 129.7 | 0.2 | 111.7 | M214 S215 E216 D217 Y223 | M214-R219 HydrophobicContact CB-CB 4.32Å; S215-R219 WeakPolarHBondContact O-CB 3.45Å; S215-R219 PolarHBondContact O-N 3.48Å; E216-R219 PolarHBondContact O-N 3.19Å; D217-R219 VanDerWaalsContact C-N 3.29Å; D217-R219 PolarHBondContact O-N 2.95Å; R219-Y223 VanDerWaalsContact O-CB 3.24Å; R219-Y223 WeakPolarHBondContact O-CB 3.48Å; R219-Y223 PolarHBondContact O-N 2.98Å |
| 220 | K | 93.5 | Very high | 93.7 | Very high | 114 Ų | 114 | 68.6 Ų | 68.6 | 50% | 0.496 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -62.5 | -45.1 | 174.6 | -77.9 | 172.8 | -176.4 | 162.6 | 0 | 111.3 | E216 D217 Y223 Y224 | E216-K220 HydrophobicContact CG-CD 4.49Å; E216-K220 WeakPolarHBondContact O-CG 3.38Å; E216-K220 PolarHBondContact O-N 3.43Å; E216-K220 WeakPolarHBondContact OE1-CE 3.48Å; E216-K220 IonicContact OE1-NZ 2.89Å; E216-K220 PolarHBondContact OE1-NZ 2.98Å; D217-K220 PolarHBondContact O-N 2.9Å; K220-Y223 PolarHBondContact O-N 3.22Å; K220-Y224 WeakPolarHBondContact O-CB 3.45Å; K220-Y224 PolarHBondContact O-N 3.46Å |
| 221 | D | 92.5 | Very high | 93.9 | Very high | 57 Ų | 57 | 67.4 Ų | 67.4 | 31% | 0.305 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -65.1 | -45.2 | 177.5 | -171.9 | 76.5 | 0 | 0 | 0 | 111.6 | K121 D217 E218 Y223 Y224 H225 | K121-D221 IonicContact NZ-OD1 2.77Å; K121-D221 PolarHBondContact NZ-OD1 3.36Å; D217-D221 WeakPolarHBondContact O-CB 3.17Å; D217-D221 PolarHBondContact O-N 3.34Å; E218-D221 PolarHBondContact O-N 2.92Å; D221-Y223 PolarHBondContact O-N 2.67Å; D221-Y224 WeakPolarHBondContact O-CB 3.49Å; D221-Y224 PolarHBondContact O-N 3.35Å; D221-H225 PolarHBondContact O-N 3.21Å; D221-H225 PolarHBondContact O-ND1 3.45Å; D221-H225 IonicContact OD1-CE1 2.86Å; D221-H225 PolarHBondContact OD1-CE1 2.88Å; D221-H225 IonicContact OD1-ND1 3.96Å; D221-H225 IonicContact OD2-CE1 3.15Å; D221-H225 PolarHBondContact OD2-CE1 3.31Å; D221-H225 IonicContact OD2-ND1 3.78Å; D221-H225 PolarHBondContact OD2-ND1 2.95Å |
| 222 | A | 92.6 | Very high | 94.1 | Very high | 15 Ų | 15 | 66 Ų | 66 | 12% | 0.124 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61 | -44.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | M214 E218 Y224 H225 R226 | M214-A222 HydrophobicContact CE-CB 4.41Å; M214-A222 HydrophobicContact SD-CB 4.29Å; E218-A222 VanDerWaalsContact O-CB 3.25Å; E218-A222 WeakPolarHBondContact O-CB 3.49Å; E218-A222 PolarHBondContact O-N 3.36Å; A222-Y224 VanDerWaalsContact C-N 3.31Å; A222-Y224 PolarHBondContact O-N 3.16Å; A222-H225 PolarHBondContact O-N 3.49Å; A222-R226 WeakPolarHBondContact O-CB 3.44Å; A222-R226 WeakPolarHBondContact O-CD 3.41Å; A222-R226 WeakPolarHBondContact O-CG 3.21Å; A222-R226 PolarHBondContact O-N 3.1Å |
| 223 | Y | 94.6 | Very high | 94.3 | Very high | 116 Ų | 116 | 61.5 Ų | 61.5 | 46% | 0.455 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -62.2 | -38.6 | 176.2 | -176.1 | -101.9 | 0 | 0 | 0 | 112.1 | V183 R219 K220 D221 R226 T227 | V183-Y223 HydrophobicContact CG1-CD2 4.37Å; V183-Y223 HydrophobicContact CG1-CE2 4.27Å; V183-Y223 HydrophobicContact CG2-CD2 4.33Å; V183-Y223 HydrophobicContact CG2-CE2 3.99Å; R219-Y223 VanDerWaalsContact O-CB 3.24Å; R219-Y223 WeakPolarHBondContact O-CB 3.48Å; R219-Y223 PolarHBondContact O-N 2.98Å; K220-Y223 PolarHBondContact O-N 3.22Å; D221-Y223 PolarHBondContact O-N 2.67Å; Y223-R226 PolarHBondContact O-N 3.04Å; Y223-T227 HydrophobicContact CD2-CG2 4.18Å; Y223-T227 HydrophobicContact CE1-CG2 4.15Å; Y223-T227 HydrophobicContact CE2-CG2 3.77Å; Y223-T227 WeakPolarHBondContact O-CB 3.45Å; Y223-T227 WeakPolarHBondContact O-CG2 3.28Å; Y223-T227 PolarHBondContact O-N 2.95Å; Y223-T227 VanDerWaalsContact O-N 3.07Å; Y223-T227 PolarHBondContact O-OG1 2.92Å |
| 224 | Y | 95.2 | Very high | 94.2 | Very high | 35 Ų | 35 | 57.4 Ų | 57.4 | 14% | 0.137 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.7 | -50.6 | 175 | -179.5 | -107.7 | 0 | 0 | 0 | 111.8 | M124 N125 L128 K220 D221 A222 R226 T227 F228 | M124-Y224 HydrophobicContact CB-CE1 4.28Å; M124-Y224 HydrophobicContact CE-CD1 3.98Å; M124-Y224 HydrophobicContact CE-CE1 3.61Å; M124-Y224 PolarHBondContact O-OH 3.4Å; N125-Y224 WeakPolarHBondContact CA-OH 3.41Å; N125-Y224 PolarHBondContact N-OH 3.14Å; N125-Y224 VanDerWaalsContact OD1-CZ 3.25Å; N125-Y224 PolarHBondContact OD1-OH 3.41Å; L128-Y224 HydrophobicContact CD1-CE2 3.97Å; K220-Y224 WeakPolarHBondContact O-CB 3.45Å; K220-Y224 PolarHBondContact O-N 3.46Å; D221-Y224 WeakPolarHBondContact O-CB 3.49Å; D221-Y224 PolarHBondContact O-N 3.35Å; A222-Y224 VanDerWaalsContact C-N 3.31Å; A222-Y224 PolarHBondContact O-N 3.16Å; Y224-R226 PolarHBondContact O-N 3.34Å; Y224-T227 PolarHBondContact O-N 3.27Å; Y224-F228 PolarHBondContact O-N 3.09Å; Y224-F228 VanDerWaalsContact O-N 3.11Å |
| 225 | H | 94.5 | Very high | 94.2 | Very high | 18 Ų | 18 | 55.3 Ų | 55.3 | 8% | 0.083 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.5 | -45.3 | 177.4 | -70.2 | 86 | 0 | 0 | 0 | 112.4 | L176 D221 A222 T227 F228 | L176-H225 HydrophobicContact CD2-CB 4.12Å; D221-H225 PolarHBondContact O-N 3.21Å; D221-H225 PolarHBondContact O-ND1 3.45Å; D221-H225 IonicContact OD1-CE1 2.86Å; D221-H225 PolarHBondContact OD1-CE1 2.88Å; D221-H225 IonicContact OD1-ND1 3.96Å; D221-H225 IonicContact OD2-CE1 3.15Å; D221-H225 PolarHBondContact OD2-CE1 3.31Å; D221-H225 IonicContact OD2-ND1 3.78Å; D221-H225 PolarHBondContact OD2-ND1 2.95Å; A222-H225 PolarHBondContact O-N 3.49Å; H225-T227 VanDerWaalsContact C-N 3.29Å; H225-T227 PolarHBondContact O-N 3.45Å; H225-F228 WeakPolarHBondContact O-CB 3.17Å; H225-F228 PolarHBondContact O-N 2.86Å |
| 226 | R | 95.4 | Very high | 94.2 | Very high | 37 Ų | 37 | 52.6 Ų | 52.6 | 14% | 0.14 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.3 | -29.1 | -178 | -69.6 | 166.4 | -167.9 | -176.9 | 2.3 | 113.7 | P180 S181 V183 D211 A222 Y223 Y224 | P180-R226 HydrophobicContact CB-CG 3.9Å; S181-R226 WeakPolarHBondContact CA-O 3.37Å; S181-R226 WeakPolarHBondContact CB-O 3.32Å; V183-R226 HydrophobicContact CG1-CB 3.89Å; D211-R226 VanDerWaalsContact CG-NH1 3.27Å; D211-R226 IonicContact OD1-CZ 3.67Å; D211-R226 IonicContact OD1-NH1 2.81Å; D211-R226 PolarHBondContact OD1-NH1 3.21Å; D211-R226 IonicContact OD1-NH2 3.63Å; D211-R226 PolarHBondContact OD1-NH2 2.89Å; D211-R226 IonicContact OD2-CZ 2.88Å; D211-R226 IonicContact OD2-NH1 3.74Å; D211-R226 PolarHBondContact OD2-NH1 2.85Å; D211-R226 IonicContact OD2-NH2 2.97Å; A222-R226 WeakPolarHBondContact O-CB 3.44Å; A222-R226 WeakPolarHBondContact O-CD 3.41Å; A222-R226 WeakPolarHBondContact O-CG 3.21Å; A222-R226 PolarHBondContact O-N 3.1Å; Y223-R226 PolarHBondContact O-N 3.04Å; Y224-R226 PolarHBondContact O-N 3.34Å |
| 227 | T | 95.5 | Very high | 94.3 | Very high | 2 Ų | 2 | 47.8 Ų | 47.8 | 1% | 0.012 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -101.8 | -0.5 | -178.1 | 59.3 | 0 | 0 | 0 | 0 | 113.7 | V183 Y223 Y224 H225 L229 F230 R231 | V183-T227 HydrophobicContact CG1-CG2 3.79Å; Y223-T227 HydrophobicContact CD2-CG2 4.18Å; Y223-T227 HydrophobicContact CE1-CG2 4.15Å; Y223-T227 HydrophobicContact CE2-CG2 3.77Å; Y223-T227 WeakPolarHBondContact O-CB 3.45Å; Y223-T227 WeakPolarHBondContact O-CG2 3.28Å; Y223-T227 PolarHBondContact O-N 2.95Å; Y223-T227 VanDerWaalsContact O-N 3.07Å; Y223-T227 PolarHBondContact O-OG1 2.92Å; Y224-T227 PolarHBondContact O-N 3.27Å; H225-T227 VanDerWaalsContact C-N 3.29Å; H225-T227 PolarHBondContact O-N 3.45Å; T227-L229 PolarHBondContact O-N 2.98Å; T227-F230 WeakPolarHBondContact O-CB 3.46Å; T227-F230 PolarHBondContact O-N 3.46Å; T227-R231 WeakPolarHBondContact O-CG 3.45Å; T227-R231 PolarHBondContact O-N 3.37Å; T227-R231 PolarHBondContact OG1-NE 3.05Å; T227-R231 PolarHBondContact OG1-NH2 3.4Å; T227-R231 VanDerWaalsContact OG1-NH2 3.13Å |
| 228 | F | 96.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -54.3 | -56 | -175.9 | 171.7 | -105.2 | 0 | 0 | 0 | 113.1 | M124 A127 L128 L145 L176 Y224 H225 F230 R231 L232 | M124-F228 HydrophobicContact CB-CD2 3.92Å; M124-F228 HydrophobicContact CB-CE2 3.63Å; M124-F228 HydrophobicContact CB-CZ 4.26Å; M124-F228 HydrophobicContact CE-CB 3.85Å; M124-F228 HydrophobicContact CE-CD1 4.42Å; M124-F228 HydrophobicContact CE-CD2 3.74Å; M124-F228 HydrophobicContact CE-CE2 4.45Å; M124-F228 HydrophobicContact CE-CG 3.73Å; M124-F228 HydrophobicContact CG-CD2 4.07Å; M124-F228 HydrophobicContact CG-CE1 4.45Å; M124-F228 HydrophobicContact CG-CE2 3.82Å; M124-F228 HydrophobicContact CG-CZ 4.02Å; A127-F228 HydrophobicContact CB-CE2 4.16Å; A127-F228 HydrophobicContact CB-CZ 4.16Å; L128-F228 HydrophobicContact CD1-CD2 3.88Å; L128-F228 HydrophobicContact CD1-CE2 4.28Å; L128-F228 HydrophobicContact CD2-CE2 4.41Å; L128-F228 HydrophobicContact CG-CD2 4.14Å; L128-F228 HydrophobicContact CG-CE2 4.04Å; L145-F228 HydrophobicContact CD1-CE1 4.36Å; L145-F228 HydrophobicContact CD1-CZ 3.93Å; L145-F228 HydrophobicContact CD2-CZ 4.47Å; L176-F228 HydrophobicContact CD1-CD1 3.92Å; L176-F228 HydrophobicContact CD1-CE1 4.21Å; L176-F228 HydrophobicContact CD2-CB 4.14Å; L176-F228 HydrophobicContact CD2-CD1 4.2Å; L176-F228 HydrophobicContact CD2-CG 4.36Å; Y224-F228 PolarHBondContact O-N 3.09Å; Y224-F228 VanDerWaalsContact O-N 3.11Å; H225-F228 WeakPolarHBondContact O-CB 3.17Å; H225-F228 PolarHBondContact O-N 2.86Å; F228-F230 VanDerWaalsContact C-N 3.32Å; F228-F230 PolarHBondContact O-N 2.8Å; F228-R231 PolarHBondContact O-N 3.34Å; F228-L232 HydrophobicContact CE1-CD2 4.24Å; F228-L232 HydrophobicContact CZ-CD2 4.2Å; F228-L232 WeakPolarHBondContact O-CB 3.34Å; F228-L232 PolarHBondContact O-N 3.24Å |
| 229 | L | 95.5 | Very high | 94.3 | Very high | 10 Ų | 10 | 40.7 Ų | 40.7 | 5% | 0.052 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.1 | -38.5 | -179 | -72.1 | 179.6 | 0 | 0 | 0 | 112.2 | F149 V177 T227 R231 L232 L233 F263 L267 F277 | F149-L229 HydrophobicContact CE1-CD1 4.29Å; F149-L229 HydrophobicContact CE2-CD2 4.25Å; F149-L229 HydrophobicContact CZ-CD1 4.14Å; F149-L229 HydrophobicContact CZ-CD2 3.85Å; F149-L229 HydrophobicContact CZ-CG 4.3Å; V177-L229 HydrophobicContact CG2-CD1 3.39Å; T227-L229 PolarHBondContact O-N 2.98Å; L229-R231 PolarHBondContact O-N 3.35Å; L229-L232 HydrophobicContact CD2-CD2 4.38Å; L229-L232 WeakPolarHBondContact O-CB 3.43Å; L229-L232 PolarHBondContact O-N 2.74Å; L229-L233 WeakPolarHBondContact O-CG 3.23Å; L229-L233 PolarHBondContact O-N 3.12Å; L229-F263 HydrophobicContact CD2-CE1 4.26Å; L229-F263 HydrophobicContact CD2-CZ 4.05Å; L229-L267 HydrophobicContact CD1-CD1 4.39Å; L229-L267 HydrophobicContact CD2-CD1 4.32Å; L229-F277 HydrophobicContact CB-CD2 4.32Å; L229-F277 HydrophobicContact CB-CE2 3.92Å; L229-F277 HydrophobicContact CD1-CD2 3.67Å; L229-F277 HydrophobicContact CD1-CE2 3.85Å; L229-F277 HydrophobicContact CD1-CG 4.4Å; L229-F277 HydrophobicContact CG-CE2 4.42Å |
| 230 | F | 94.6 | Very high | 94.5 | Very high | 57 Ų | 57 | 34.3 Ų | 34.3 | 25% | 0.25 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -59.3 | -46.2 | 174.3 | 164.6 | -97.7 | 0 | 0 | 0 | 111.8 | T227 F228 L232 L233 K234 I280 N284 | T227-F230 WeakPolarHBondContact O-CB 3.46Å; T227-F230 PolarHBondContact O-N 3.46Å; F228-F230 VanDerWaalsContact C-N 3.32Å; F228-F230 PolarHBondContact O-N 2.8Å; F230-L232 VanDerWaalsContact C-N 3.3Å; F230-L232 PolarHBondContact O-N 3.14Å; F230-L233 WeakPolarHBondContact O-CB 3.4Å; F230-L233 PolarHBondContact O-N 3.35Å; F230-K234 VanDerWaalsContact CE2-CE 3.43Å; F230-K234 VanDerWaalsContact CZ-CE 3.46Å; F230-K234 HydrophobicContact CZ-CG 4.43Å; F230-K234 PolarHBondContact O-N 2.91Å; F230-I280 HydrophobicContact CB-CG2 4.37Å; F230-N284 WeakPolarHBondContact CE2-OD1 3.39Å |
| 231 | R | 95.6 | Very high | 94.4 | Very high | 87 Ų | 87 | 32.8 Ų | 32.8 | 33% | 0.328 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -64.3 | -38.5 | 176.6 | -66.4 | 174.2 | -167 | -159.1 | 1.9 | 111.3 | L128 T227 F228 L229 L233 K234 T235 | L128-R231 HydrophobicContact CD1-CB 4.04Å; L128-R231 HydrophobicContact CD2-CB 3.64Å; T227-R231 WeakPolarHBondContact O-CG 3.45Å; T227-R231 PolarHBondContact O-N 3.37Å; T227-R231 PolarHBondContact OG1-NE 3.05Å; T227-R231 PolarHBondContact OG1-NH2 3.4Å; T227-R231 VanDerWaalsContact OG1-NH2 3.13Å; F228-R231 PolarHBondContact O-N 3.34Å; L229-R231 PolarHBondContact O-N 3.35Å; R231-L233 VanDerWaalsContact C-N 3.33Å; R231-L233 PolarHBondContact O-N 3.4Å; R231-K234 WeakPolarHBondContact O-CB 3.35Å; R231-K234 PolarHBondContact O-N 3.31Å; R231-K234 VanDerWaalsContact O-N 3.07Å; R231-T235 PolarHBondContact O-N 3.4Å; R231-T235 PolarHBondContact O-OG1 3.43Å |
| 232 | L | 95.9 | Very high | 94.4 | Very high | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.005 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63 | -38.3 | 176.9 | -164.6 | 65.8 | 0 | 0 | 0 | 111.8 | A127 L128 I142 L145 F228 L229 F230 K234 T235 F236 F260 F263 | A127-L232 HydrophobicContact CB-CD1 4.08Å; L128-L232 HydrophobicContact CD2-CB 4.18Å; L128-L232 HydrophobicContact CD2-CD1 4.17Å; I142-L232 HydrophobicContact CD1-CD1 4.09Å; I142-L232 HydrophobicContact CD1-CD2 4.05Å; I142-L232 HydrophobicContact CD1-CG 4.36Å; L145-L232 HydrophobicContact CD1-CD2 4.27Å; F228-L232 HydrophobicContact CE1-CD2 4.24Å; F228-L232 HydrophobicContact CZ-CD2 4.2Å; F228-L232 WeakPolarHBondContact O-CB 3.34Å; F228-L232 PolarHBondContact O-N 3.24Å; L229-L232 HydrophobicContact CD2-CD2 4.38Å; L229-L232 WeakPolarHBondContact O-CB 3.43Å; L229-L232 PolarHBondContact O-N 2.74Å; F230-L232 VanDerWaalsContact C-N 3.3Å; F230-L232 PolarHBondContact O-N 3.14Å; L232-K234 VanDerWaalsContact C-N 3.31Å; L232-K234 PolarHBondContact O-N 3.48Å; L232-T235 WeakPolarHBondContact O-CB 3.15Å; L232-T235 PolarHBondContact O-N 3.21Å; L232-F236 PolarHBondContact O-N 2.79Å; L232-F260 HydrophobicContact CD1-CE2 4.26Å; L232-F260 HydrophobicContact CD2-CE2 4.16Å; L232-F260 HydrophobicContact CD2-CZ 4.27Å; L232-F260 HydrophobicContact CG-CE2 3.7Å; L232-F260 HydrophobicContact CG-CZ 3.82Å; L232-F260 WeakPolarHBondContact O-CZ 3.28Å; L232-F263 HydrophobicContact CD2-CE1 3.93Å; L232-F263 HydrophobicContact CD2-CZ 4.49Å |
| 233 | L | 95.7 | Very high | 94.5 | Very high | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -59.8 | -39.7 | 171 | -68.4 | 179.5 | 0 | 0 | 0 | 112.1 | L229 F230 R231 F236 V237 F260 L264 F277 I280 L281 N284 I286 | L229-L233 WeakPolarHBondContact O-CG 3.23Å; L229-L233 PolarHBondContact O-N 3.12Å; F230-L233 WeakPolarHBondContact O-CB 3.4Å; F230-L233 PolarHBondContact O-N 3.35Å; R231-L233 VanDerWaalsContact C-N 3.33Å; R231-L233 PolarHBondContact O-N 3.4Å; L233-F236 PolarHBondContact O-N 2.84Å; L233-V237 WeakPolarHBondContact O-CG2 3.48Å; L233-V237 PolarHBondContact O-N 3.26Å; L233-F260 HydrophobicContact CD2-CE1 4.02Å; L233-F260 HydrophobicContact CD2-CZ 4.45Å; L233-L264 HydrophobicContact CD2-CD1 4.1Å; L233-L264 HydrophobicContact CD2-CD2 3.65Å; L233-F277 HydrophobicContact CD1-CE2 4.43Å; L233-F277 HydrophobicContact CD2-CZ 4.42Å; L233-I280 HydrophobicContact CD1-CG2 4.34Å; L233-L281 HydrophobicContact CD1-CD1 4.21Å; L233-L281 HydrophobicContact CD2-CD1 3.94Å; L233-N284 HydrophobicContact CD1-CB 4.28Å; L233-I286 HydrophobicContact CB-CD1 4.13Å; L233-I286 HydrophobicContact CD1-CD1 4.49Å; L233-I286 HydrophobicContact CD1-CG1 4.13Å; L233-I286 HydrophobicContact CD2-CD1 4.34Å; L233-I286 HydrophobicContact CD2-CG1 4.11Å |
| 234 | K | 92.9 | Very high | 94.4 | Very high | 71 Ų | 71 | 30.4 Ų | 30.4 | 31% | 0.309 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -65.9 | -39.5 | 176.1 | -59.7 | -58.7 | 177.9 | -172 | 0 | 111.7 | F230 R231 L232 F236 V237 S238 N284 | F230-K234 VanDerWaalsContact CE2-CE 3.43Å; F230-K234 VanDerWaalsContact CZ-CE 3.46Å; F230-K234 HydrophobicContact CZ-CG 4.43Å; F230-K234 PolarHBondContact O-N 2.91Å; R231-K234 WeakPolarHBondContact O-CB 3.35Å; R231-K234 PolarHBondContact O-N 3.31Å; R231-K234 VanDerWaalsContact O-N 3.07Å; L232-K234 VanDerWaalsContact C-N 3.31Å; L232-K234 PolarHBondContact O-N 3.48Å; K234-F236 VanDerWaalsContact C-N 3.35Å; K234-V237 PolarHBondContact O-N 3.11Å; K234-S238 WeakPolarHBondContact O-CB 3.37Å; K234-S238 PolarHBondContact O-N 3.21Å; K234-N284 VanDerWaalsContact CE-OD1 3.3Å; K234-N284 WeakPolarHBondContact CE-OD1 3.26Å; K234-N284 PolarHBondContact NZ-OD1 3.28Å |
| 235 | T | 93.4 | Very high | 94.2 | Very high | 2 Ų | 2 | 32.2 Ų | 32.2 | 1% | 0.012 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59.3 | -45.9 | 172.4 | -56.4 | 0 | 0 | 0 | 0 | 111.3 | H130 R231 L232 S238 V239 | H130-T235 PolarHBondContact CE1-OG1 3.21Å; R231-T235 PolarHBondContact O-N 3.4Å; R231-T235 PolarHBondContact O-OG1 3.43Å; L232-T235 WeakPolarHBondContact O-CB 3.15Å; L232-T235 PolarHBondContact O-N 3.21Å; T235-S238 WeakPolarHBondContact O-CB 3.49Å; T235-S238 PolarHBondContact O-N 3.07Å; T235-V239 WeakPolarHBondContact O-CG2 3.44Å; T235-V239 PolarHBondContact O-N 3.08Å; T235-V239 VanDerWaalsContact O-N 3.1Å |
| 236 | F | 95.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -58.8 | -51.4 | 176.2 | 164.5 | -106.5 | 0 | 0 | 0 | 112.8 | L232 L233 K234 S238 V239 L240 C257 F260 L261 I286 F304 | L232-F236 PolarHBondContact O-N 2.79Å; L233-F236 PolarHBondContact O-N 2.84Å; K234-F236 VanDerWaalsContact C-N 3.35Å; F236-S238 PolarHBondContact O-N 2.69Å; F236-V239 PolarHBondContact O-N 2.79Å; F236-L240 HydrophobicContact CE1-CD2 4.16Å; F236-L240 HydrophobicContact CZ-CD2 4.01Å; F236-L240 WeakPolarHBondContact O-CB 3.08Å; F236-L240 PolarHBondContact O-N 2.96Å; F236-C257 HydrophobicContact CE2-CB 4.04Å; F236-F260 HydrophobicContact CB-CD1 3.59Å; F236-F260 HydrophobicContact CB-CD2 3.94Å; F236-F260 HydrophobicContact CB-CE1 3.38Å; F236-F260 HydrophobicContact CB-CE2 3.74Å; F236-F260 HydrophobicContact CB-CG 3.87Å; F236-F260 HydrophobicContact CB-CZ 3.47Å; F236-F260 VanDerWaalsContact CB-CZ 3.47Å; F236-F260 HydrophobicContact CD1-CD1 4Å; F236-F260 HydrophobicContact CD1-CE1 4.07Å; F236-F260 HydrophobicContact CD2-CB 3.59Å; F236-F260 AromaticContact CD2-CD1 3.37Å; F236-F260 HydrophobicContact CD2-CD1 3.37Å; F236-F260 HydrophobicContact CD2-CD2 4.19Å; F236-F260 HydrophobicContact CD2-CE1 4.09Å; F236-F260 AromaticContact CD2-CG 3.44Å; F236-F260 HydrophobicContact CD2-CG 3.44Å; F236-F260 VanDerWaalsContact CD2-CG 3.44Å; F236-F260 HydrophobicContact CE2-CB 3.95Å; F236-F260 HydrophobicContact CE2-CD1 4Å; F236-F260 HydrophobicContact CE2-CG 4.18Å; F236-F260 HydrophobicContact CG-CB 4.43Å; F236-F260 AromaticContact CG-CD1 3.36Å; F236-F260 HydrophobicContact CG-CD1 3.36Å; F236-F260 HydrophobicContact CG-CD2 4.38Å; F236-F260 AromaticContact CG-CE1 3.58Å; F236-F260 HydrophobicContact CG-CE1 3.58Å; F236-F260 AromaticContact CG-CG 3.8Å; F236-F260 HydrophobicContact CG-CG 3.8Å; F236-F260 HydrophobicContact CG-CZ 4.19Å; F236-L261 HydrophobicContact CE1-CD2 4.4Å; F236-L261 HydrophobicContact CE2-CD2 4.42Å; F236-L261 HydrophobicContact CZ-CD2 3.77Å; F236-L261 HydrophobicContact CZ-CG 4.31Å; F236-I286 HydrophobicContact CD1-CG2 4.42Å; F236-I286 HydrophobicContact CE1-CG2 4Å; F236-F304 HydrophobicContact CE2-CE2 4.48Å; F236-F304 HydrophobicContact CZ-CE2 4.25Å; F236-F304 HydrophobicContact CZ-CZ 4.47Å |
| 237 | V | 93.3 | Very high | 93.7 | Very high | 14 Ų | 14 | 40 Ų | 40 | 9% | 0.085 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.4 | -37.5 | 178.9 | 173.2 | 0 | 0 | 0 | 0 | 111 | L233 K234 V239 L240 N241 I286 | L233-V237 WeakPolarHBondContact O-CG2 3.48Å; L233-V237 PolarHBondContact O-N 3.26Å; K234-V237 PolarHBondContact O-N 3.11Å; V237-V239 PolarHBondContact O-N 2.71Å; V237-L240 PolarHBondContact O-N 2.81Å; V237-N241 WeakPolarHBondContact O-CB 3.47Å; V237-N241 VanDerWaalsContact O-CG 3.26Å; V237-N241 PolarHBondContact O-N 3.05Å; V237-N241 PolarHBondContact O-ND2 3.34Å; V237-I286 HydrophobicContact CG2-CD1 3.57Å |
| 238 | S | 92.2 | Very high | 93.4 | Very high | 70 Ų | 70 | 51.2 Ų | 51.2 | 49% | 0.49 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -62.4 | -39.9 | 175.4 | -174.1 | 0 | 0 | 0 | 0 | 113 | K234 T235 F236 S242 | K234-S238 WeakPolarHBondContact O-CB 3.37Å; K234-S238 PolarHBondContact O-N 3.21Å; T235-S238 WeakPolarHBondContact O-CB 3.49Å; T235-S238 PolarHBondContact O-N 3.07Å; F236-S238 PolarHBondContact O-N 2.69Å; S238-S242 PolarHBondContact O-N 3.28Å |
| 239 | V | 94.1 | Very high | 93.1 | Very high | 12 Ų | 12 | 51.8 Ų | 51.8 | 7% | 0.073 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -73.8 | -39.6 | 177.3 | 177.6 | 0 | 0 | 0 | 0 | 110.9 | L135 T235 F236 V237 N241 S242 A253 Y256 | L135-V239 HydrophobicContact CD2-CG1 3.83Å; L135-V239 HydrophobicContact CD2-CG2 3.97Å; T235-V239 WeakPolarHBondContact O-CG2 3.44Å; T235-V239 PolarHBondContact O-N 3.08Å; T235-V239 VanDerWaalsContact O-N 3.1Å; F236-V239 PolarHBondContact O-N 2.79Å; V237-V239 PolarHBondContact O-N 2.71Å; V239-N241 VanDerWaalsContact C-N 3.3Å; V239-N241 PolarHBondContact O-N 2.72Å; V239-S242 PolarHBondContact O-N 3.31Å; V239-S242 VanDerWaalsContact O-N 3.14Å; V239-S242 PolarHBondContact O-OG 3.08Å; V239-A253 HydrophobicContact CG1-CB 4.22Å; V239-Y256 HydrophobicContact CB-CD1 3.94Å; V239-Y256 HydrophobicContact CB-CE1 3.91Å; V239-Y256 HydrophobicContact CG1-CD1 3.58Å; V239-Y256 HydrophobicContact CG1-CE1 4.08Å; V239-Y256 HydrophobicContact CG1-CG 4.42Å; V239-Y256 HydrophobicContact CG2-CD1 4.17Å; V239-Y256 HydrophobicContact CG2-CE1 3.86Å |
| 240 | L | 95.2 | Very high | 92.9 | Very high | 1 Ų | 1 | 55.4 Ų | 55.4 | 1% | 0.005 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -59.4 | -44.2 | 176.4 | -177.8 | 61.3 | 0 | 0 | 0 | 111.2 | F236 V237 S242 I243 L295 F304 | F236-L240 HydrophobicContact CE1-CD2 4.16Å; F236-L240 HydrophobicContact CZ-CD2 4.01Å; F236-L240 WeakPolarHBondContact O-CB 3.08Å; F236-L240 PolarHBondContact O-N 2.96Å; V237-L240 PolarHBondContact O-N 2.81Å; L240-S242 VanDerWaalsContact C-N 3.28Å; L240-S242 PolarHBondContact O-N 3.41Å; L240-I243 PolarHBondContact O-N 3.38Å; L240-L295 HydrophobicContact CD1-CB 4.11Å; L240-L295 HydrophobicContact CD1-CD2 4.27Å; L240-F304 HydrophobicContact CD1-CE1 4.16Å; L240-F304 HydrophobicContact CD1-CE2 3.95Å; L240-F304 HydrophobicContact CD1-CZ 3.51Å; L240-F304 HydrophobicContact CD2-CZ 4.1Å; L240-F304 HydrophobicContact CG-CZ 4.48Å |
| 241 | N | 92 | Very high | 92.8 | Very high | 83 Ų | 83 | 57.5 Ų | 57.5 | 44% | 0.444 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -13.7 | 179.1 | -70.1 | -12.6 | 0 | 0 | 0 | 113.6 | V237 V239 I243 | V237-N241 WeakPolarHBondContact O-CB 3.47Å; V237-N241 VanDerWaalsContact O-CG 3.26Å; V237-N241 PolarHBondContact O-N 3.05Å; V237-N241 PolarHBondContact O-ND2 3.34Å; V239-N241 VanDerWaalsContact C-N 3.3Å; V239-N241 PolarHBondContact O-N 2.72Å; N241-I243 PolarHBondContact O-N 2.62Å |
| 242 | S | 92.4 | Very high | 92.7 | Very high | 79 Ų | 79 | 54.5 Ų | 54.5 | 55% | 0.552 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -10.6 | 173.7 | 69.9 | 0 | 0 | 0 | 0 | 113.3 | S238 V239 L240 | S238-S242 PolarHBondContact O-N 3.28Å; V239-S242 PolarHBondContact O-N 3.31Å; V239-S242 VanDerWaalsContact O-N 3.14Å; V239-S242 PolarHBondContact O-OG 3.08Å; L240-S242 VanDerWaalsContact C-N 3.28Å; L240-S242 PolarHBondContact O-N 3.41Å |
| 243 | I | 94.6 | Very high | 92.6 | Very high | 3 Ų | 3 | 54.5 Ų | 54.5 | 2% | 0.015 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -80.6 | 121.5 | 178.3 | -60.6 | 174.6 | 0 | 0 | 0 | 109.3 | L240 N241 A253 V254 N294 L295 | L240-I243 PolarHBondContact O-N 3.38Å; N241-I243 PolarHBondContact O-N 2.62Å; I243-A253 HydrophobicContact CD1-CB 4.04Å; I243-A253 HydrophobicContact CG1-CB 3.92Å; I243-V254 HydrophobicContact CD1-CG2 4.41Å; I243-N294 WeakPolarHBondContact O-CB 3.43Å; I243-N294 PolarHBondContact O-ND2 2.86Å; I243-L295 HydrophobicContact CD1-CB 4.08Å; I243-L295 HydrophobicContact CD1-CD1 4.4Å; I243-L295 HydrophobicContact CD1-CD2 3.8Å; I243-L295 HydrophobicContact CD1-CG 4.31Å; I243-L295 HydrophobicContact CG2-CB 4.42Å |
| 244 | P | 92.3 | Very high | 92.6 | Very high | 56 Ų | 56 | 54.8 Ų | 54.8 | 36% | 0.364 | 31% | 0.306 | S | S | . | . | trans | -74.5 | 154.4 | -179.3 | 31.5 | -35.7 | 0 | 0 | 0 | 112.1 | E246 R298 | P244-E246 VanDerWaalsContact C-N 3.34Å; P244-E246 PolarHBondContact O-N 2.83Å; P244-R298 PolarHBondContact O-NH1 2.85Å; P244-R298 VanDerWaalsContact O-NH1 3.11Å | ||
| 245 | S | 89.8 | Confident | 92.7 | Very high | 72 Ų | 72 | 59 Ų | 59 | 50% | 0.503 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -61.4 | -40 | 176.3 | 52.9 | 0 | 0 | 0 | 0 | 112.6 | N294 R298 | S245-N294 PolarHBondContact N-ND2 3.05Å; S245-R298 PolarHBondContact O-NH1 3.42Å |
| 246 | E | 89.7 | Confident | 92.8 | Very high | 161 Ų | 161 | 59 Ų | 59 | 75% | 0.752 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -132.5 | 168.8 | -176.5 | -64.7 | 179.3 | -172.8 | 0 | 0 | 111.3 | P244 | P244-E246 VanDerWaalsContact C-N 3.34Å; P244-E246 PolarHBondContact O-N 2.83Å |
| 247 | G | 90.6 | Very high | 92.9 | Very high | 57 Ų | 57 | 59 Ų | 59 | 59% | 0.588 | 32% | 0.319 | S | S | * | . | S | Bend | trans | 83 | -161.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | C249 R298 | G247-C249 PolarHBondContact O-N 3.36Å; G247-R298 PolarHBondContact O-NH1 3.33Å; G247-R298 PolarHBondContact O-NH2 2.92Å |
| 248 | R | 89.8 | Confident | 93.1 | Very high | 238 Ų | 238 | 59.4 Ų | 59.4 | 90% | 0.898 | 32% | 0.32 | S | S | * | . | trans | -65.9 | 120.2 | -175.8 | -174.4 | 178.7 | 179.5 | 178.3 | -0.2 | 110.7 | ||||
| 249 | C | 89.2 | Confident | 93.2 | Very high | 13 Ų | 13 | 57.7 Ų | 57.7 | 9% | 0.088 | 30% | 0.303 | C | S | . | . | trans | -87.7 | 130.9 | 174.3 | -164.4 | 0 | 0 | 0 | 0 | 110.6 | G247 L251 V254 E300 | G247-C249 PolarHBondContact O-N 3.36Å; C249-L251 PolarHBondContact O-N 3.14Å; C249-V254 WeakPolarHBondContact SG-CG2 3.36Å; C249-E300 HydrophobicContact CB-CG 4.48Å | ||
| 250 | D | 92.6 | Very high | 93.4 | Very high | 85 Ų | 85 | 57.1 Ų | 57.1 | 46% | 0.455 | 30% | 0.3 | S | S | . | . | trans | -73.5 | 106.2 | 169.9 | 179.5 | 10.1 | 0 | 0 | 0 | 109.9 | A252 A253 V254 | D250-A252 PolarHBondContact O-N 3.08Å; D250-A252 WeakPolarHBondContact OD1-CB 3.41Å; D250-A252 PolarHBondContact OD1-N 2.86Å; D250-A253 HydrophobicContact CB-CB 4.1Å; D250-A253 WeakPolarHBondContact O-CB 3.49Å; D250-A253 PolarHBondContact O-N 2.81Å; D250-A253 VanDerWaalsContact O-N 3.1Å; D250-V254 PolarHBondContact O-N 2.9Å; D250-V254 VanDerWaalsContact O-N 3.16Å | ||
| 251 | L | 92 | Very high | 93.5 | Very high | 102 Ų | 102 | 57.1 Ų | 57.1 | 53% | 0.534 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -62.8 | -24.1 | 179.3 | -63.4 | 178.3 | 0 | 0 | 0 | 112.9 | C249 R255 | C249-L251 PolarHBondContact O-N 3.14Å; L251-R255 WeakPolarHBondContact O-CB 3.35Å; L251-R255 VanDerWaalsContact O-CG 3.26Å; L251-R255 WeakPolarHBondContact O-CG 3.42Å; L251-R255 PolarHBondContact O-N 3.28Å |
| 252 | A | 92.9 | Very high | 93.7 | Very high | 24 Ų | 24 | 54 Ų | 54 | 20% | 0.198 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -70.5 | -37.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | L135 P136 D250 Y256 | L135-A252 HydrophobicContact CB-CB 4.01Å; L135-A252 HydrophobicContact CD1-CB 4.43Å; P136-A252 HydrophobicContact CG-CB 4.18Å; D250-A252 PolarHBondContact O-N 3.08Å; D250-A252 WeakPolarHBondContact OD1-CB 3.41Å; D250-A252 PolarHBondContact OD1-N 2.86Å; A252-Y256 WeakPolarHBondContact O-CB 3.41Å; A252-Y256 PolarHBondContact O-N 3.45Å |
| 253 | A | 95.2 | Very high | 93.9 | Very high | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.008 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.6 | -41.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L135 V239 I243 D250 Y256 C257 | L135-A253 HydrophobicContact CD1-CB 3.8Å; V239-A253 HydrophobicContact CG1-CB 4.22Å; I243-A253 HydrophobicContact CD1-CB 4.04Å; I243-A253 HydrophobicContact CG1-CB 3.92Å; D250-A253 HydrophobicContact CB-CB 4.1Å; D250-A253 WeakPolarHBondContact O-CB 3.49Å; D250-A253 PolarHBondContact O-N 2.81Å; D250-A253 VanDerWaalsContact O-N 3.1Å; A253-Y256 PolarHBondContact O-N 2.8Å; A253-C257 WeakPolarHBondContact O-CB 3.32Å; A253-C257 PolarHBondContact O-N 3.29Å; A253-C257 PolarHBondContact O-SG 2.88Å |
| 254 | V | 95.7 | Very high | 94 | Very high | 7 Ų | 7 | 50.4 Ų | 50.4 | 4% | 0.042 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -58.5 | -53.9 | 174.7 | 178.6 | 0 | 0 | 0 | 0 | 110.7 | I243 C249 D250 Y256 C257 E258 L295 | I243-V254 HydrophobicContact CD1-CG2 4.41Å; C249-V254 WeakPolarHBondContact SG-CG2 3.36Å; D250-V254 PolarHBondContact O-N 2.9Å; D250-V254 VanDerWaalsContact O-N 3.16Å; V254-Y256 VanDerWaalsContact C-N 3.32Å; V254-Y256 PolarHBondContact O-N 2.88Å; V254-C257 WeakPolarHBondContact O-CB 3.5Å; V254-C257 PolarHBondContact O-N 3.2Å; V254-E258 HydrophobicContact CG1-CG 4.4Å; V254-E258 WeakPolarHBondContact O-CG 3.47Å; V254-E258 PolarHBondContact O-N 3.01Å; V254-L295 HydrophobicContact CG1-CD1 4.16Å; V254-L295 HydrophobicContact CG1-CD2 4.43Å; V254-L295 HydrophobicContact CG2-CD1 3.8Å |
| 255 | R | 93.9 | Very high | 94.2 | Very high | 160 Ų | 160 | 48 Ų | 48 | 60% | 0.604 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -60.2 | -40.4 | -179.8 | -72.8 | 173.1 | 179.3 | -172.4 | -1.9 | 112.8 | L251 E258 R259 | L251-R255 WeakPolarHBondContact O-CB 3.35Å; L251-R255 VanDerWaalsContact O-CG 3.26Å; L251-R255 WeakPolarHBondContact O-CG 3.42Å; L251-R255 PolarHBondContact O-N 3.28Å; R255-E258 PolarHBondContact O-N 3.39Å; R255-R259 WeakPolarHBondContact O-CB 3.47Å; R255-R259 WeakPolarHBondContact O-CG 3.28Å; R255-R259 PolarHBondContact O-N 3.07Å |
| 256 | Y | 95.9 | Very high | 94.4 | Very high | 2 Ų | 2 | 45.3 Ų | 45.3 | 1% | 0.008 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.2 | -47.3 | 174.3 | 175 | -94.2 | 0 | 0 | 0 | 110.7 | L135 K138 I142 V239 A252 A253 V254 E258 R259 F260 | L135-Y256 HydrophobicContact CD2-CG 4.39Å; K138-Y256 HydrophobicContact CB-CD2 3.93Å; K138-Y256 HydrophobicContact CB-CE2 3.67Å; I142-Y256 HydrophobicContact CG1-CE2 3.75Å; V239-Y256 HydrophobicContact CB-CD1 3.94Å; V239-Y256 HydrophobicContact CB-CE1 3.91Å; V239-Y256 HydrophobicContact CG1-CD1 3.58Å; V239-Y256 HydrophobicContact CG1-CE1 4.08Å; V239-Y256 HydrophobicContact CG1-CG 4.42Å; V239-Y256 HydrophobicContact CG2-CD1 4.17Å; V239-Y256 HydrophobicContact CG2-CE1 3.86Å; A252-Y256 WeakPolarHBondContact O-CB 3.41Å; A252-Y256 PolarHBondContact O-N 3.45Å; A253-Y256 PolarHBondContact O-N 2.8Å; V254-Y256 VanDerWaalsContact C-N 3.32Å; V254-Y256 PolarHBondContact O-N 2.88Å; Y256-E258 PolarHBondContact O-N 3.31Å; Y256-R259 PolarHBondContact O-N 3.47Å; Y256-F260 HydrophobicContact CE1-CD2 4.17Å; Y256-F260 HydrophobicContact CE2-CD2 4.49Å; Y256-F260 AromaticContact CZ-CD2 3.84Å; Y256-F260 VanDerWaalsContact O-CB 3.27Å; Y256-F260 WeakPolarHBondContact O-CB 3.11Å; Y256-F260 PolarHBondContact O-N 3.47Å |
| 257 | C | 97.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.5 | -41.7 | -179.9 | -68 | 0 | 0 | 0 | 0 | 112.4 | F236 A253 V254 F260 L261 L295 F304 | F236-C257 HydrophobicContact CE2-CB 4.04Å; A253-C257 WeakPolarHBondContact O-CB 3.32Å; A253-C257 PolarHBondContact O-N 3.29Å; A253-C257 PolarHBondContact O-SG 2.88Å; V254-C257 WeakPolarHBondContact O-CB 3.5Å; V254-C257 PolarHBondContact O-N 3.2Å; C257-F260 PolarHBondContact O-N 2.79Å; C257-L261 WeakPolarHBondContact O-CG 3.4Å; C257-L261 PolarHBondContact O-N 3.26Å; C257-L295 HydrophobicContact CB-CD2 4Å; C257-F304 HydrophobicContact CB-CD2 4Å; C257-F304 HydrophobicContact CB-CE2 3.84Å |
| 258 | E | 96.9 | Very high | 94.8 | Very high | 22 Ų | 22 | 35 Ų | 35 | 10% | 0.103 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63.1 | -48.5 | 176.7 | -69.5 | 169.6 | 158.9 | 0 | 0 | 111.8 | V254 R255 Y256 F260 L261 E262 L303 F304 L307 C492 | V254-E258 HydrophobicContact CG1-CG 4.4Å; V254-E258 WeakPolarHBondContact O-CG 3.47Å; V254-E258 PolarHBondContact O-N 3.01Å; R255-E258 PolarHBondContact O-N 3.39Å; Y256-E258 PolarHBondContact O-N 3.31Å; E258-F260 VanDerWaalsContact C-N 3.26Å; E258-F260 PolarHBondContact O-N 2.97Å; E258-L261 PolarHBondContact O-N 3.44Å; E258-E262 PolarHBondContact O-N 3.42Å; E258-L303 HydrophobicContact CG-CD2 4.33Å; E258-L303 HydrophobicContact CG-CG 4.41Å; E258-F304 HydrophobicContact CG-CB 4.25Å; E258-L307 HydrophobicContact CB-CD1 3.88Å; E258-L307 HydrophobicContact CG-CD1 4.17Å; E258-C492 HydrophobicContact CB-CB 4.32Å |
| 259 | R | 95.6 | Very high | 95 | Very high | 33 Ų | 33 | 24.1 Ų | 24.1 | 13% | 0.125 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -64.2 | -32.3 | 175.8 | -71.8 | -63.3 | -170.3 | -176.6 | 1.6 | 112.7 | T139 R255 Y256 E262 F263 D490 E491 | T139-R259 HydrophobicContact CG2-CB 3.99Å; T139-R259 HydrophobicContact CG2-CG 3.73Å; R255-R259 WeakPolarHBondContact O-CB 3.47Å; R255-R259 WeakPolarHBondContact O-CG 3.28Å; R255-R259 PolarHBondContact O-N 3.07Å; Y256-R259 PolarHBondContact O-N 3.47Å; R259-E262 WeakPolarHBondContact CD-OE2 3.47Å; R259-E262 IonicContact CZ-OE2 2.93Å; R259-E262 IonicContact NE-OE2 3.66Å; R259-E262 IonicContact NH1-OE1 3.96Å; R259-E262 PolarHBondContact NH1-OE1 2.83Å; R259-E262 IonicContact NH1-OE2 2.69Å; R259-E262 PolarHBondContact NH1-OE2 3.07Å; R259-F263 WeakPolarHBondContact O-CB 3.44Å; R259-F263 PolarHBondContact O-N 3.44Å; R259-D490 PolarHBondContact NH2-O 3.35Å; R259-E491 PolarHBondContact NH2-O 3.32Å; R259-E491 VanDerWaalsContact NH2-O 3.08Å |
| 260 | F | 97.9 | Very high | 95 | Very high | 1 Ų | 1 | 24.1 Ų | 24.1 | 0% | 0.004 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -69 | -41.9 | 174.2 | -157.9 | -79.4 | 0 | 0 | 0 | 111.7 | I142 L232 L233 F236 Y256 C257 E258 F263 L264 | I142-F260 HydrophobicContact CD1-CD2 3.67Å; I142-F260 HydrophobicContact CD1-CE2 3.64Å; I142-F260 HydrophobicContact CG1-CD2 4.02Å; I142-F260 HydrophobicContact CG1-CE2 4.47Å; I142-F260 HydrophobicContact CG2-CD2 4.45Å; L232-F260 HydrophobicContact CD1-CE2 4.26Å; L232-F260 HydrophobicContact CD2-CE2 4.16Å; L232-F260 HydrophobicContact CD2-CZ 4.27Å; L232-F260 HydrophobicContact CG-CE2 3.7Å; L232-F260 HydrophobicContact CG-CZ 3.82Å; L232-F260 WeakPolarHBondContact O-CZ 3.28Å; L233-F260 HydrophobicContact CD2-CE1 4.02Å; L233-F260 HydrophobicContact CD2-CZ 4.45Å; F236-F260 HydrophobicContact CB-CD1 3.59Å; F236-F260 HydrophobicContact CB-CD2 3.94Å; F236-F260 HydrophobicContact CB-CE1 3.38Å; F236-F260 HydrophobicContact CB-CE2 3.74Å; F236-F260 HydrophobicContact CB-CG 3.87Å; F236-F260 HydrophobicContact CB-CZ 3.47Å; F236-F260 VanDerWaalsContact CB-CZ 3.47Å; F236-F260 HydrophobicContact CD1-CD1 4Å; F236-F260 HydrophobicContact CD1-CE1 4.07Å; F236-F260 HydrophobicContact CD2-CB 3.59Å; F236-F260 AromaticContact CD2-CD1 3.37Å; F236-F260 HydrophobicContact CD2-CD1 3.37Å; F236-F260 HydrophobicContact CD2-CD2 4.19Å; F236-F260 HydrophobicContact CD2-CE1 4.09Å; F236-F260 AromaticContact CD2-CG 3.44Å; F236-F260 HydrophobicContact CD2-CG 3.44Å; F236-F260 VanDerWaalsContact CD2-CG 3.44Å; F236-F260 HydrophobicContact CE2-CB 3.95Å; F236-F260 HydrophobicContact CE2-CD1 4Å; F236-F260 HydrophobicContact CE2-CG 4.18Å; F236-F260 HydrophobicContact CG-CB 4.43Å; F236-F260 AromaticContact CG-CD1 3.36Å; F236-F260 HydrophobicContact CG-CD1 3.36Å; F236-F260 HydrophobicContact CG-CD2 4.38Å; F236-F260 AromaticContact CG-CE1 3.58Å; F236-F260 HydrophobicContact CG-CE1 3.58Å; F236-F260 AromaticContact CG-CG 3.8Å; F236-F260 HydrophobicContact CG-CG 3.8Å; F236-F260 HydrophobicContact CG-CZ 4.19Å; Y256-F260 HydrophobicContact CE1-CD2 4.17Å; Y256-F260 HydrophobicContact CE2-CD2 4.49Å; Y256-F260 AromaticContact CZ-CD2 3.84Å; Y256-F260 VanDerWaalsContact O-CB 3.27Å; Y256-F260 WeakPolarHBondContact O-CB 3.11Å; Y256-F260 PolarHBondContact O-N 3.47Å; C257-F260 PolarHBondContact O-N 2.79Å; E258-F260 VanDerWaalsContact C-N 3.26Å; E258-F260 PolarHBondContact O-N 2.97Å; F260-F263 WeakPolarHBondContact O-CB 3.08Å; F260-F263 PolarHBondContact O-N 3.44Å; F260-L264 HydrophobicContact CD1-CD1 3.87Å; F260-L264 HydrophobicContact CD1-CD2 4.37Å; F260-L264 HydrophobicContact CD1-CG 3.84Å; F260-L264 HydrophobicContact CE1-CD1 3.84Å; F260-L264 HydrophobicContact CE1-CD2 3.82Å; F260-L264 HydrophobicContact CE1-CG 3.8Å; F260-L264 WeakPolarHBondContact O-CG 3.35Å; F260-L264 PolarHBondContact O-N 3.26Å |
| 261 | L | 97.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -63.7 | -43 | 174.3 | -72.6 | -169 | 0 | 0 | 0 | 111.9 | F236 C257 E258 F263 L264 I265 F304 L307 S308 L311 | F236-L261 HydrophobicContact CE1-CD2 4.4Å; F236-L261 HydrophobicContact CE2-CD2 4.42Å; F236-L261 HydrophobicContact CZ-CD2 3.77Å; F236-L261 HydrophobicContact CZ-CG 4.31Å; C257-L261 WeakPolarHBondContact O-CG 3.4Å; C257-L261 PolarHBondContact O-N 3.26Å; E258-L261 PolarHBondContact O-N 3.44Å; L261-F263 VanDerWaalsContact C-N 3.29Å; L261-F263 PolarHBondContact O-N 3.4Å; L261-L264 HydrophobicContact CD2-CD1 4.3Å; L261-L264 PolarHBondContact O-N 2.95Å; L261-L264 VanDerWaalsContact O-N 3.14Å; L261-I265 WeakPolarHBondContact O-CD1 3.45Å; L261-I265 WeakPolarHBondContact O-CG1 3.26Å; L261-I265 PolarHBondContact O-N 3.47Å; L261-F304 HydrophobicContact CD1-CD2 3.44Å; L261-F304 VanDerWaalsContact CD1-CD2 3.44Å; L261-F304 HydrophobicContact CD1-CE1 4.45Å; L261-F304 HydrophobicContact CD1-CE2 3.3Å; L261-F304 HydrophobicContact CD1-CG 4.1Å; L261-F304 HydrophobicContact CD1-CZ 3.86Å; L261-F304 HydrophobicContact CD2-CE2 4.41Å; L261-F304 HydrophobicContact CG-CD2 4.13Å; L261-F304 HydrophobicContact CG-CE2 3.75Å; L261-F304 HydrophobicContact CG-CZ 4.5Å; L261-L307 HydrophobicContact CB-CB 3.96Å; L261-L307 HydrophobicContact CB-CD1 4.35Å; L261-L307 HydrophobicContact CD1-CB 3.74Å; L261-S308 WeakPolarHBondContact CD1-OG 3.23Å; L261-L311 HydrophobicContact CD2-CD2 3.83Å |
| 262 | E | 95.7 | Very high | 94.7 | Very high | 18 Ų | 18 | 18.2 Ų | 18.2 | 8% | 0.084 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -54.1 | -47.7 | 171.5 | 176 | -174.9 | -151.8 | 0 | 0 | 111.3 | E258 R259 L264 I265 D266 K497 Y1139 | E258-E262 PolarHBondContact O-N 3.42Å; R259-E262 WeakPolarHBondContact CD-OE2 3.47Å; R259-E262 IonicContact CZ-OE2 2.93Å; R259-E262 IonicContact NE-OE2 3.66Å; R259-E262 IonicContact NH1-OE1 3.96Å; R259-E262 PolarHBondContact NH1-OE1 2.83Å; R259-E262 IonicContact NH1-OE2 2.69Å; R259-E262 PolarHBondContact NH1-OE2 3.07Å; E262-L264 VanDerWaalsContact C-N 3.35Å; E262-L264 PolarHBondContact O-N 3Å; E262-I265 PolarHBondContact O-N 3.3Å; E262-D266 PolarHBondContact O-N 3.31Å; E262-K497 WeakPolarHBondContact OE1-CE 3.39Å; E262-K497 IonicContact OE1-NZ 2.85Å; E262-K497 PolarHBondContact OE1-NZ 3.46Å; E262-Y1139 VanDerWaalsContact CD-OH 3.24Å; E262-Y1139 VanDerWaalsContact OE1-CE2 3.23Å; E262-Y1139 WeakPolarHBondContact OE1-CE2 3.46Å; E262-Y1139 VanDerWaalsContact OE1-CZ 3.25Å; E262-Y1139 PolarHBondContact OE1-OH 3.35Å |
| 263 | F | 96.3 | Very high | 94.6 | Very high | 6 Ų | 6 | 17.3 Ų | 17.3 | 3% | 0.026 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -56.8 | -47 | 175.6 | 170.2 | -113.8 | 0 | 0 | 0 | 111.8 | I142 L145 F149 L229 L232 R259 F260 L261 I265 D266 L267 | I142-F263 HydrophobicContact CG2-CB 3.83Å; I142-F263 HydrophobicContact CG2-CG 4.18Å; L145-F263 HydrophobicContact CB-CE2 4.22Å; F149-F263 AromaticContact CD2-CE2 3.65Å; F149-F263 HydrophobicContact CD2-CE2 3.65Å; F149-F263 AromaticContact CD2-CZ 3.95Å; F149-F263 HydrophobicContact CD2-CZ 3.95Å; F149-F263 HydrophobicContact CE2-CE2 4.11Å; F149-F263 AromaticContact CE2-CZ 3.92Å; F149-F263 HydrophobicContact CE2-CZ 3.92Å; F149-F263 HydrophobicContact CG-CE2 4.28Å; L229-F263 HydrophobicContact CD2-CE1 4.26Å; L229-F263 HydrophobicContact CD2-CZ 4.05Å; L232-F263 HydrophobicContact CD2-CE1 3.93Å; L232-F263 HydrophobicContact CD2-CZ 4.49Å; R259-F263 WeakPolarHBondContact O-CB 3.44Å; R259-F263 PolarHBondContact O-N 3.44Å; F260-F263 WeakPolarHBondContact O-CB 3.08Å; F260-F263 PolarHBondContact O-N 3.44Å; L261-F263 VanDerWaalsContact C-N 3.29Å; L261-F263 PolarHBondContact O-N 3.4Å; F263-I265 VanDerWaalsContact C-N 3.32Å; F263-I265 PolarHBondContact O-N 3.09Å; F263-D266 PolarHBondContact O-N 3.26Å; F263-L267 HydrophobicContact CD1-CD1 4.37Å; F263-L267 HydrophobicContact CD2-CD2 4.49Å; F263-L267 HydrophobicContact CD2-CG 4.31Å; F263-L267 HydrophobicContact CE1-CD1 3.75Å; F263-L267 HydrophobicContact CE1-CG 4.46Å; F263-L267 HydrophobicContact CE2-CD1 3.99Å; F263-L267 HydrophobicContact CE2-CD2 3.86Å; F263-L267 HydrophobicContact CE2-CG 3.96Å; F263-L267 HydrophobicContact CZ-CD1 3.55Å; F263-L267 HydrophobicContact CZ-CD2 4.17Å; F263-L267 HydrophobicContact CZ-CG 4.05Å; F263-L267 VanDerWaalsContact O-CG 3.31Å; F263-L267 WeakPolarHBondContact O-CG 3.41Å; F263-L267 PolarHBondContact O-N 2.94Å |
| 264 | L | 97.5 | Very high | 94.5 | Very high | 1 Ų | 1 | 17.4 Ų | 17.4 | 1% | 0.005 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -63.8 | -36.1 | 177.9 | -66 | -176.9 | 0 | 0 | 0 | 113.4 | L233 F260 L261 E262 N268 F277 L281 I286 L311 | L233-L264 HydrophobicContact CD2-CD1 4.1Å; L233-L264 HydrophobicContact CD2-CD2 3.65Å; F260-L264 HydrophobicContact CD1-CD1 3.87Å; F260-L264 HydrophobicContact CD1-CD2 4.37Å; F260-L264 HydrophobicContact CD1-CG 3.84Å; F260-L264 HydrophobicContact CE1-CD1 3.84Å; F260-L264 HydrophobicContact CE1-CD2 3.82Å; F260-L264 HydrophobicContact CE1-CG 3.8Å; F260-L264 WeakPolarHBondContact O-CG 3.35Å; F260-L264 PolarHBondContact O-N 3.26Å; L261-L264 HydrophobicContact CD2-CD1 4.3Å; L261-L264 PolarHBondContact O-N 2.95Å; L261-L264 VanDerWaalsContact O-N 3.14Å; E262-L264 VanDerWaalsContact C-N 3.35Å; E262-L264 PolarHBondContact O-N 3Å; L264-N268 PolarHBondContact O-N 3.11Å; L264-N268 VanDerWaalsContact O-N 3.11Å; L264-N268 PolarHBondContact O-ND2 2.97Å; L264-F277 HydrophobicContact CD2-CE1 3.99Å; L264-F277 HydrophobicContact CD2-CZ 3.69Å; L264-L281 HydrophobicContact CD1-CD1 4.04Å; L264-L281 HydrophobicContact CD2-CD1 4.31Å; L264-I286 HydrophobicContact CD1-CG2 3.93Å; L264-L311 HydrophobicContact CB-CD1 3.81Å; L264-L311 HydrophobicContact CB-CD2 4.22Å; L264-L311 HydrophobicContact CD1-CD2 3.96Å |
| 265 | I | 96.5 | Very high | 94.3 | Very high | 4 Ų | 4 | 21.1 Ų | 21.1 | 2% | 0.021 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -66.5 | -49.9 | 176.5 | -68 | 159.8 | 0 | 0 | 0 | 109.7 | L261 E262 F263 L267 N268 S269 L307 M310 L311 Y314 | L261-I265 WeakPolarHBondContact O-CD1 3.45Å; L261-I265 WeakPolarHBondContact O-CG1 3.26Å; L261-I265 PolarHBondContact O-N 3.47Å; E262-I265 PolarHBondContact O-N 3.3Å; F263-I265 VanDerWaalsContact C-N 3.32Å; F263-I265 PolarHBondContact O-N 3.09Å; I265-L267 VanDerWaalsContact C-N 3.29Å; I265-L267 PolarHBondContact O-N 3.46Å; I265-N268 PolarHBondContact O-N 3.38Å; I265-N268 VanDerWaalsContact O-N 3.11Å; I265-S269 VanDerWaalsContact O-CB 3.3Å; I265-S269 WeakPolarHBondContact O-CB 3.25Å; I265-S269 PolarHBondContact O-N 2.95Å; I265-L307 HydrophobicContact CD1-CB 4.3Å; I265-L307 HydrophobicContact CD1-CD2 3.99Å; I265-L307 WeakPolarHBondContact CD1-O 3.39Å; I265-M310 HydrophobicContact CD1-CB 4.01Å; I265-M310 HydrophobicContact CD1-CE 3.5Å; I265-M310 HydrophobicContact CD1-CG 4.06Å; I265-M310 HydrophobicContact CG1-CE 4.44Å; I265-M310 HydrophobicContact CG1-CG 4.48Å; I265-M310 HydrophobicContact CG2-CE 3.9Å; I265-M310 HydrophobicContact CG2-CG 4.13Å; I265-M310 HydrophobicContact CG2-SD 4.41Å; I265-L311 HydrophobicContact CD1-CB 4.31Å; I265-L311 HydrophobicContact CG1-CB 3.83Å; I265-L311 HydrophobicContact CG1-CD1 4Å; I265-Y314 HydrophobicContact CG2-CD2 3.55Å; I265-Y314 HydrophobicContact CG2-CE2 3.64Å |
| 266 | D | 93.2 | Very high | 94.2 | Very high | 17 Ų | 17 | 15 Ų | 15 | 9% | 0.091 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -54.1 | -46.3 | 176.8 | -77.5 | 7.1 | 0 | 0 | 0 | 110.5 | N150 E262 F263 N268 S269 L270 K497 | N150-D266 PolarHBondContact ND2-OD2 3.25Å; E262-D266 PolarHBondContact O-N 3.31Å; F263-D266 PolarHBondContact O-N 3.26Å; D266-N268 PolarHBondContact O-N 3.01Å; D266-S269 PolarHBondContact O-N 3.35Å; D266-S269 PolarHBondContact O-OG 3.45Å; D266-L270 WeakPolarHBondContact O-CG 3.28Å; D266-K497 IonicContact OD1-NZ 3.59Å; D266-K497 PolarHBondContact OD1-NZ 3.39Å; D266-K497 IonicContact OD2-NZ 3.39Å; D266-K497 PolarHBondContact OD2-NZ 2.93Å |
| 267 | L | 94.1 | Very high | 94.2 | Very high | 1 Ų | 1 | 15 Ų | 15 | 1% | 0.005 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -60.5 | -43.3 | 176.8 | -66.9 | -171.4 | 0 | 0 | 0 | 113.7 | F149 L229 F263 I265 S269 L270 I273 F277 | F149-L267 HydrophobicContact CB-CD2 3.5Å; F149-L267 HydrophobicContact CD1-CD2 3.35Å; F149-L267 HydrophobicContact CD2-CD2 4.03Å; F149-L267 HydrophobicContact CE1-CD2 4.02Å; F149-L267 HydrophobicContact CG-CD2 3.36Å; L229-L267 HydrophobicContact CD1-CD1 4.39Å; L229-L267 HydrophobicContact CD2-CD1 4.32Å; F263-L267 HydrophobicContact CD1-CD1 4.37Å; F263-L267 HydrophobicContact CD2-CD2 4.49Å; F263-L267 HydrophobicContact CD2-CG 4.31Å; F263-L267 HydrophobicContact CE1-CD1 3.75Å; F263-L267 HydrophobicContact CE1-CG 4.46Å; F263-L267 HydrophobicContact CE2-CD1 3.99Å; F263-L267 HydrophobicContact CE2-CD2 3.86Å; F263-L267 HydrophobicContact CE2-CG 3.96Å; F263-L267 HydrophobicContact CZ-CD1 3.55Å; F263-L267 HydrophobicContact CZ-CD2 4.17Å; F263-L267 HydrophobicContact CZ-CG 4.05Å; F263-L267 VanDerWaalsContact O-CG 3.31Å; F263-L267 WeakPolarHBondContact O-CG 3.41Å; F263-L267 PolarHBondContact O-N 2.94Å; I265-L267 VanDerWaalsContact C-N 3.29Å; I265-L267 PolarHBondContact O-N 3.46Å; L267-S269 VanDerWaalsContact C-N 3.28Å; L267-L270 PolarHBondContact O-N 3.31Å; L267-I273 HydrophobicContact CB-CG2 3.88Å; L267-I273 HydrophobicContact CD2-CD1 4.14Å; L267-I273 HydrophobicContact CD2-CG2 4Å; L267-I273 HydrophobicContact CG-CG2 4.38Å; L267-I273 WeakPolarHBondContact O-CG2 3.4Å; L267-F277 HydrophobicContact CB-CD1 3.93Å; L267-F277 HydrophobicContact CB-CE1 3.95Å; L267-F277 HydrophobicContact CD1-CD1 4.03Å; L267-F277 HydrophobicContact CD1-CE1 3.63Å; L267-F277 HydrophobicContact CD1-CE2 4.48Å; L267-F277 HydrophobicContact CD1-CZ 3.88Å; L267-F277 HydrophobicContact CG-CE1 4.46Å |
| 268 | N | 94.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -78.1 | -15.9 | -179.1 | -79.9 | -80.5 | 0 | 0 | 0 | 113.6 | L264 I265 D266 L270 R274 N278 L281 | L264-N268 PolarHBondContact O-N 3.11Å; L264-N268 VanDerWaalsContact O-N 3.11Å; L264-N268 PolarHBondContact O-ND2 2.97Å; I265-N268 PolarHBondContact O-N 3.38Å; I265-N268 VanDerWaalsContact O-N 3.11Å; D266-N268 PolarHBondContact O-N 3.01Å; N268-L270 VanDerWaalsContact C-N 3.27Å; N268-R274 WeakPolarHBondContact O-CD 3.31Å; N268-R274 PolarHBondContact O-NH1 3.47Å; N268-N278 PolarHBondContact OD1-OD1 3.14Å; N268-L281 WeakPolarHBondContact ND2-CD2 3.25Å |
| 269 | S | 93.2 | Very high | 93.9 | Very high | 9 Ų | 9 | 14.9 Ų | 14.9 | 6% | 0.063 | 7% | 0.074 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -7.9 | 175.3 | 85.2 | 0 | 0 | 0 | 0 | 113.2 | I265 D266 L267 L503 | I265-S269 VanDerWaalsContact O-CB 3.3Å; I265-S269 WeakPolarHBondContact O-CB 3.25Å; I265-S269 PolarHBondContact O-N 2.95Å; D266-S269 PolarHBondContact O-N 3.35Å; D266-S269 PolarHBondContact O-OG 3.45Å; L267-S269 VanDerWaalsContact C-N 3.28Å; S269-L503 WeakPolarHBondContact O-CD2 3.35Å |
| 270 | L | 90.9 | Very high | 93.8 | Very high | 13 Ų | 13 | 13.5 Ų | 13.5 | 7% | 0.068 | 7% | 0.069 | C | C | . | . | S | Bend | trans | -112.9 | 107.6 | -178.3 | -66.5 | 177.6 | 0 | 0 | 0 | 111.1 | V153 D266 L267 N268 P272 I273 R274 Q501 | V153-L270 HydrophobicContact CG2-CD1 4.23Å; V153-L270 HydrophobicContact CG2-CD2 3.69Å; D266-L270 WeakPolarHBondContact O-CG 3.28Å; L267-L270 PolarHBondContact O-N 3.31Å; N268-L270 VanDerWaalsContact C-N 3.27Å; L270-P272 VanDerWaalsContact C-CD 3.47Å; L270-I273 HydrophobicContact CB-CB 4.36Å; L270-I273 HydrophobicContact CB-CD1 4.09Å; L270-I273 HydrophobicContact CD1-CD1 3.74Å; L270-I273 PolarHBondContact O-N 2.82Å; L270-R274 VanDerWaalsContact O-CB 3.29Å; L270-R274 WeakPolarHBondContact O-CB 3.26Å; L270-R274 PolarHBondContact O-N 2.67Å; L270-Q501 HydrophobicContact CD2-CB 4.37Å |
| 271 | L | 89.8 | Confident | 93.6 | Very high | 11 Ų | 11 | 13.5 Ų | 13.5 | 6% | 0.058 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -50 | -45.4 | -175.6 | -179.5 | 63 | 0 | 0 | 0 | 114.7 | I273 R274 R275 I319 L503 Y742 | L271-I273 PolarHBondContact O-N 3.13Å; L271-R274 PolarHBondContact O-N 3.41Å; L271-R275 WeakPolarHBondContact O-CB 3.46Å; L271-R275 PolarHBondContact O-N 3.22Å; L271-I319 HydrophobicContact CD1-CD1 4.08Å; L271-L503 HydrophobicContact CB-CD2 3.98Å; L271-Y742 HydrophobicContact CB-CE1 4.12Å; L271-Y742 WeakPolarHBondContact CB-OH 3.35Å; L271-Y742 HydrophobicContact CD2-CE1 4.35Å; L271-Y742 HydrophobicContact CD2-CE2 4.04Å |
| 272 | P | 86.9 | Confident | 93.4 | Very high | 53 Ų | 53 | 17.2 Ų | 17.2 | 34% | 0.344 | 9% | 0.087 | S | C | . | . | H | α-helix | trans | -59.7 | -32 | 179.7 | -24.9 | 35.5 | 0 | 0 | 0 | 113.9 | L270 | L270-P272 VanDerWaalsContact C-CD 3.47Å |
| 273 | I | 91.3 | Very high | 93.1 | Very high | 5 Ų | 5 | 16.7 Ų | 16.7 | 3% | 0.026 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -84.8 | -52.3 | 179 | -68 | 164.5 | 0 | 0 | 0 | 109.6 | F149 V177 L267 L270 L271 R275 F276 F277 | F149-I273 HydrophobicContact CB-CD1 4.26Å; F149-I273 HydrophobicContact CD1-CD1 3.79Å; F149-I273 HydrophobicContact CD1-CG1 4.41Å; V177-I273 HydrophobicContact CG1-CB 4.35Å; V177-I273 HydrophobicContact CG1-CG2 4.11Å; V177-I273 VanDerWaalsContact CG1-O 3.31Å; V177-I273 WeakPolarHBondContact CG1-O 3.36Å; V177-I273 HydrophobicContact CG2-CG2 4.32Å; L267-I273 HydrophobicContact CB-CG2 3.88Å; L267-I273 HydrophobicContact CD2-CD1 4.14Å; L267-I273 HydrophobicContact CD2-CG2 4Å; L267-I273 HydrophobicContact CG-CG2 4.38Å; L267-I273 WeakPolarHBondContact O-CG2 3.4Å; L270-I273 HydrophobicContact CB-CB 4.36Å; L270-I273 HydrophobicContact CB-CD1 4.09Å; L270-I273 HydrophobicContact CD1-CD1 3.74Å; L270-I273 PolarHBondContact O-N 2.82Å; L271-I273 PolarHBondContact O-N 3.13Å; I273-R275 PolarHBondContact O-N 3.3Å; I273-R275 VanDerWaalsContact O-N 3.16Å; I273-F276 PolarHBondContact O-N 2.87Å; I273-F277 HydrophobicContact CG2-CB 4.1Å; I273-F277 VanDerWaalsContact O-CB 3.27Å; I273-F277 WeakPolarHBondContact O-CB 3.49Å; I273-F277 PolarHBondContact O-N 3.43Å |
| 274 | R | 93.6 | Very high | 92.8 | Very high | 2 Ų | 2 | 16.7 Ų | 16.7 | 1% | 0.008 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -46 | -45.2 | 177.4 | -178.9 | -168.1 | -179.9 | 76 | 9.3 | 112.6 | N268 L270 L271 F276 F277 N278 Y314 C315 D321 | N268-R274 WeakPolarHBondContact O-CD 3.31Å; N268-R274 PolarHBondContact O-NH1 3.47Å; L270-R274 VanDerWaalsContact O-CB 3.29Å; L270-R274 WeakPolarHBondContact O-CB 3.26Å; L270-R274 PolarHBondContact O-N 2.67Å; L271-R274 PolarHBondContact O-N 3.41Å; R274-F276 PolarHBondContact O-N 3.28Å; R274-F277 PolarHBondContact O-N 3.29Å; R274-N278 HydrophobicContact CG-CB 4Å; R274-N278 PolarHBondContact NH2-ND2 2.97Å; R274-N278 VanDerWaalsContact O-CB 3.29Å; R274-N278 WeakPolarHBondContact O-CB 3.34Å; R274-N278 PolarHBondContact O-N 3.2Å; R274-Y314 PolarHBondContact NH1-O 2.98Å; R274-Y314 PolarHBondContact NH2-O 3.48Å; R274-C315 PolarHBondContact NH2-O 3.27Å; R274-D321 IonicContact CZ-OD1 2.74Å; R274-D321 IonicContact NE-OD1 2.87Å; R274-D321 PolarHBondContact NE-OD1 3.47Å; R274-D321 IonicContact NH2-OD1 3.74Å; R274-D321 PolarHBondContact NH2-OD1 3.22Å |
| 275 | R | 91.2 | Very high | 92.6 | Very high | 86 Ų | 86 | 17.1 Ų | 17.1 | 33% | 0.325 | 9% | 0.087 | S | C | . | . | H | α-helix | trans | -45.3 | -37.6 | -178.1 | 179.2 | 174.9 | -66.1 | 174.4 | -0.1 | 114.3 | L271 I273 D321 L322 | L271-R275 WeakPolarHBondContact O-CB 3.46Å; L271-R275 PolarHBondContact O-N 3.22Å; I273-R275 PolarHBondContact O-N 3.3Å; I273-R275 VanDerWaalsContact O-N 3.16Å; R275-D321 WeakPolarHBondContact CA-O 3.33Å; R275-D321 WeakPolarHBondContact CB-O 3.48Å; R275-D321 WeakPolarHBondContact CG-O 3.21Å; R275-L322 HydrophobicContact CG-CD2 4Å; R275-L322 VanDerWaalsContact CZ-O 3.23Å; R275-L322 PolarHBondContact NE-O 2.78Å; R275-L322 VanDerWaalsContact NE-O 3.17Å; R275-L322 PolarHBondContact NH2-O 3.28Å; R275-L322 VanDerWaalsContact NH2-O 3.09Å |
| 276 | F | 92.4 | Very high | 92.5 | Very high | 31 Ų | 31 | 17 Ų | 17 | 14% | 0.136 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -112.6 | -28.2 | 179.1 | -56.4 | -66.2 | 0 | 0 | 0 | 112.8 | V177 L179 W182 I273 R274 | V177-F276 HydrophobicContact CG1-CB 4.22Å; L179-F276 HydrophobicContact CB-CD1 4.14Å; L179-F276 HydrophobicContact CB-CE1 3.68Å; L179-F276 HydrophobicContact CB-CZ 4.15Å; L179-F276 HydrophobicContact CD1-CD1 4.3Å; L179-F276 HydrophobicContact CD1-CE1 4.03Å; L179-F276 HydrophobicContact CG-CE1 4.46Å; W182-F276 HydrophobicContact CZ2-CD1 4.2Å; W182-F276 PolarHBondContact NE1-O 3.24Å; W182-F276 VanDerWaalsContact NE1-O 3.11Å; I273-F276 PolarHBondContact O-N 2.87Å; R274-F276 PolarHBondContact O-N 3.28Å |
| 277 | F | 94.9 | Very high | 92.5 | Very high | 2 Ų | 2 | 17 Ų | 17 | 1% | 0.009 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -80.3 | -36.3 | -175.7 | -177.4 | -115.5 | 0 | 0 | 0 | 114.2 | V177 L229 L233 L264 L267 I273 R274 A279 I280 L281 | V177-F277 HydrophobicContact CG1-CB 4.33Å; L229-F277 HydrophobicContact CB-CD2 4.32Å; L229-F277 HydrophobicContact CB-CE2 3.92Å; L229-F277 HydrophobicContact CD1-CD2 3.67Å; L229-F277 HydrophobicContact CD1-CE2 3.85Å; L229-F277 HydrophobicContact CD1-CG 4.4Å; L229-F277 HydrophobicContact CG-CE2 4.42Å; L233-F277 HydrophobicContact CD1-CE2 4.43Å; L233-F277 HydrophobicContact CD2-CZ 4.42Å; L264-F277 HydrophobicContact CD2-CE1 3.99Å; L264-F277 HydrophobicContact CD2-CZ 3.69Å; L267-F277 HydrophobicContact CB-CD1 3.93Å; L267-F277 HydrophobicContact CB-CE1 3.95Å; L267-F277 HydrophobicContact CD1-CD1 4.03Å; L267-F277 HydrophobicContact CD1-CE1 3.63Å; L267-F277 HydrophobicContact CD1-CE2 4.48Å; L267-F277 HydrophobicContact CD1-CZ 3.88Å; L267-F277 HydrophobicContact CG-CE1 4.46Å; I273-F277 HydrophobicContact CG2-CB 4.1Å; I273-F277 VanDerWaalsContact O-CB 3.27Å; I273-F277 WeakPolarHBondContact O-CB 3.49Å; I273-F277 PolarHBondContact O-N 3.43Å; R274-F277 PolarHBondContact O-N 3.29Å; F277-A279 VanDerWaalsContact C-N 3.28Å; F277-A279 PolarHBondContact O-N 3.33Å; F277-I280 WeakPolarHBondContact O-CA 3.43Å; F277-I280 WeakPolarHBondContact O-CB 3.4Å; F277-I280 PolarHBondContact O-N 2.95Å; F277-L281 HydrophobicContact CE1-CB 4.42Å; F277-L281 HydrophobicContact CZ-CD1 4.35Å; F277-L281 PolarHBondContact O-N 2.81Å |
| 278 | N | 95.5 | Very high | 92.5 | Very high | 1 Ų | 1 | 17 Ų | 17 | 1% | 0.005 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -59 | -40.6 | -176.9 | -171.6 | 30 | 0 | 0 | 0 | 111.5 | N268 R274 I280 L281 Q282 C315 D321 | N268-N278 PolarHBondContact OD1-OD1 3.14Å; R274-N278 HydrophobicContact CG-CB 4Å; R274-N278 PolarHBondContact NH2-ND2 2.97Å; R274-N278 VanDerWaalsContact O-CB 3.29Å; R274-N278 WeakPolarHBondContact O-CB 3.34Å; R274-N278 PolarHBondContact O-N 3.2Å; N278-I280 VanDerWaalsContact C-N 3.33Å; N278-I280 PolarHBondContact O-N 2.81Å; N278-L281 PolarHBondContact O-N 2.9Å; N278-Q282 PolarHBondContact ND2-NE2 2.91Å; N278-Q282 WeakPolarHBondContact O-CB 3.39Å; N278-Q282 WeakPolarHBondContact O-CG 3.12Å; N278-Q282 PolarHBondContact O-N 3.15Å; N278-Q282 PolarHBondContact OD1-NE2 3.12Å; N278-Q282 VanDerWaalsContact OD1-NE2 3.12Å; N278-C315 PolarHBondContact ND2-O 3.43Å; N278-C315 PolarHBondContact OD1-O 3.14Å; N278-D321 PolarHBondContact ND2-OD2 3.42Å |
| 279 | A | 93 | Very high | 92.5 | Very high | 18 Ų | 18 | 17.5 Ų | 17.5 | 15% | 0.149 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -59.5 | -41.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | L185 L193 F277 A283 | L185-A279 HydrophobicContact CD1-CB 4.21Å; L185-A279 HydrophobicContact CD2-CB 4.43Å; L185-A279 WeakPolarHBondContact CD2-O 3.3Å; L193-A279 HydrophobicContact CD1-CB 3.86Å; F277-A279 VanDerWaalsContact C-N 3.28Å; F277-A279 PolarHBondContact O-N 3.33Å; A279-A283 VanDerWaalsContact O-CB 3.24Å; A279-A283 WeakPolarHBondContact O-CB 3.44Å; A279-A283 PolarHBondContact O-N 3.13Å |
| 280 | I | 94.3 | Very high | 92.6 | Very high | 4 Ų | 4 | 17.1 Ų | 17.1 | 2% | 0.021 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -67.5 | -42.8 | 177.8 | -62.2 | 168.2 | 0 | 0 | 0 | 110.1 | S181 S184 L185 F230 L233 F277 N278 N284 | S181-I280 WeakPolarHBondContact OG-CD1 3.43Å; S184-I280 WeakPolarHBondContact OG-CD1 3.19Å; L185-I280 HydrophobicContact CD2-CB 4.35Å; L185-I280 HydrophobicContact CD2-CG1 3.91Å; L185-I280 HydrophobicContact CG-CG1 4.12Å; F230-I280 HydrophobicContact CB-CG2 4.37Å; L233-I280 HydrophobicContact CD1-CG2 4.34Å; F277-I280 WeakPolarHBondContact O-CA 3.43Å; F277-I280 WeakPolarHBondContact O-CB 3.4Å; F277-I280 PolarHBondContact O-N 2.95Å; N278-I280 VanDerWaalsContact C-N 3.33Å; N278-I280 PolarHBondContact O-N 2.81Å; I280-N284 WeakPolarHBondContact O-CB 3.35Å; I280-N284 PolarHBondContact O-N 2.91Å; I280-N284 VanDerWaalsContact O-N 3.14Å; I280-N284 PolarHBondContact O-ND2 3.32Å |
| 281 | L | 94.5 | Very high | 92.7 | Very high | 1 Ų | 1 | 17.8 Ų | 17.8 | 1% | 0.005 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -62.2 | -46.1 | 178.7 | -174.3 | 70.1 | 0 | 0 | 0 | 111.8 | L233 L264 N268 F277 N278 N284 H285 I286 L311 C315 | L233-L281 HydrophobicContact CD1-CD1 4.21Å; L233-L281 HydrophobicContact CD2-CD1 3.94Å; L264-L281 HydrophobicContact CD1-CD1 4.04Å; L264-L281 HydrophobicContact CD2-CD1 4.31Å; N268-L281 WeakPolarHBondContact ND2-CD2 3.25Å; F277-L281 HydrophobicContact CE1-CB 4.42Å; F277-L281 HydrophobicContact CZ-CD1 4.35Å; F277-L281 PolarHBondContact O-N 2.81Å; N278-L281 PolarHBondContact O-N 2.9Å; L281-N284 PolarHBondContact O-N 3.44Å; L281-H285 PolarHBondContact O-N 3.27Å; L281-I286 HydrophobicContact CD1-CB 3.64Å; L281-I286 HydrophobicContact CD1-CG1 3.64Å; L281-I286 HydrophobicContact CD1-CG2 3.92Å; L281-I286 HydrophobicContact CG-CB 4.36Å; L281-L311 HydrophobicContact CD2-CD1 3.93Å; L281-C315 WeakPolarHBondContact CD2-SG 3.41Å |
| 282 | Q | 92.2 | Very high | 92.8 | Very high | 79 Ų | 79 | 19.5 Ų | 19.5 | 37% | 0.369 | 10% | 0.099 | S | C | . | . | H | α-helix | trans | -66.5 | -45.3 | 177.9 | -70.6 | -177.4 | 29.6 | 0 | 0 | 112.2 | N278 N284 H285 C315 | N278-Q282 PolarHBondContact ND2-NE2 2.91Å; N278-Q282 WeakPolarHBondContact O-CB 3.39Å; N278-Q282 WeakPolarHBondContact O-CG 3.12Å; N278-Q282 PolarHBondContact O-N 3.15Å; N278-Q282 PolarHBondContact OD1-NE2 3.12Å; N278-Q282 VanDerWaalsContact OD1-NE2 3.12Å; Q282-N284 PolarHBondContact O-N 2.99Å; Q282-N284 VanDerWaalsContact O-N 3.14Å; Q282-H285 PolarHBondContact O-N 3.27Å; Q282-H285 PolarHBondContact O-ND1 3.4Å; Q282-C315 PolarHBondContact NE2-O 3.09Å; Q282-C315 VanDerWaalsContact NE2-O 3.13Å |
| 283 | A | 90.1 | Very high | 93.2 | Very high | 6 Ų | 6 | 17.2 Ų | 17.2 | 5% | 0.05 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -63.4 | -19.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | L185 I189 A279 W432 | L185-A283 HydrophobicContact CD2-CB 3.61Å; I189-A283 HydrophobicContact CD1-CB 3.93Å; A279-A283 VanDerWaalsContact O-CB 3.24Å; A279-A283 WeakPolarHBondContact O-CB 3.44Å; A279-A283 PolarHBondContact O-N 3.13Å; A283-W432 WeakPolarHBondContact O-CH2 3.39Å |
| 284 | N | 89.9 | Confident | 93.3 | Very high | 7 Ų | 7 | 19.5 Ų | 19.5 | 4% | 0.037 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | 2.2 | 175.1 | -79.9 | -84.9 | 0 | 0 | 0 | 114.1 | F230 L233 K234 I280 L281 Q282 I286 | F230-N284 WeakPolarHBondContact CE2-OD1 3.39Å; L233-N284 HydrophobicContact CD1-CB 4.28Å; K234-N284 VanDerWaalsContact CE-OD1 3.3Å; K234-N284 WeakPolarHBondContact CE-OD1 3.26Å; K234-N284 PolarHBondContact NZ-OD1 3.28Å; I280-N284 WeakPolarHBondContact O-CB 3.35Å; I280-N284 PolarHBondContact O-N 2.91Å; I280-N284 VanDerWaalsContact O-N 3.14Å; I280-N284 PolarHBondContact O-ND2 3.32Å; L281-N284 PolarHBondContact O-N 3.44Å; Q282-N284 PolarHBondContact O-N 2.99Å; Q282-N284 VanDerWaalsContact O-N 3.14Å; N284-I286 HydrophobicContact CB-CD1 4.11Å; N284-I286 HydrophobicContact CB-CG1 3.98Å; N284-I286 PolarHBondContact O-N 2.99Å; N284-I286 VanDerWaalsContact O-N 3.15Å |
| 285 | H | 92.5 | Very high | 93.5 | Very high | 9 Ų | 9 | 19.4 Ų | 19.4 | 4% | 0.042 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.7 | 39.1 | 176.6 | -55.4 | -56 | 0 | 0 | 0 | 113.3 | L281 Q282 T288 S289 L427 W432 F445 V449 | L281-H285 PolarHBondContact O-N 3.27Å; Q282-H285 PolarHBondContact O-N 3.27Å; Q282-H285 PolarHBondContact O-ND1 3.4Å; H285-T288 PolarHBondContact O-N 3.48Å; H285-S289 PolarHBondContact O-N 2.82Å; H285-S289 PolarHBondContact O-OG 3.2Å; H285-L427 PolarHBondContact CE1-O 2.92Å; H285-L427 VanDerWaalsContact CE1-O 3.28Å; H285-L427 PolarHBondContact NE2-O 3.42Å; H285-W432 AromaticContact CD2-CH2 3.87Å; H285-F445 HydrophobicContact CB-CE2 4.5Å; H285-F445 HydrophobicContact CB-CZ 3.91Å; H285-V449 HydrophobicContact CB-CG2 4.04Å |
| 286 | I | 94.4 | Very high | 93.7 | Very high | 2 Ų | 2 | 17 Ų | 17 | 1% | 0.01 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -66 | -42.7 | -175.1 | -63.9 | -58.5 | 0 | 0 | 0 | 111.5 | L233 F236 V237 L264 L281 N284 T288 S289 C290 L311 | L233-I286 HydrophobicContact CB-CD1 4.13Å; L233-I286 HydrophobicContact CD1-CD1 4.49Å; L233-I286 HydrophobicContact CD1-CG1 4.13Å; L233-I286 HydrophobicContact CD2-CD1 4.34Å; L233-I286 HydrophobicContact CD2-CG1 4.11Å; F236-I286 HydrophobicContact CD1-CG2 4.42Å; F236-I286 HydrophobicContact CE1-CG2 4Å; V237-I286 HydrophobicContact CG2-CD1 3.57Å; L264-I286 HydrophobicContact CD1-CG2 3.93Å; L281-I286 HydrophobicContact CD1-CB 3.64Å; L281-I286 HydrophobicContact CD1-CG1 3.64Å; L281-I286 HydrophobicContact CD1-CG2 3.92Å; L281-I286 HydrophobicContact CG-CB 4.36Å; N284-I286 HydrophobicContact CB-CD1 4.11Å; N284-I286 HydrophobicContact CB-CG1 3.98Å; N284-I286 PolarHBondContact O-N 2.99Å; N284-I286 VanDerWaalsContact O-N 3.15Å; I286-T288 PolarHBondContact O-N 2.95Å; I286-S289 WeakPolarHBondContact O-CB 3.45Å; I286-S289 PolarHBondContact O-N 2.99Å; I286-S289 VanDerWaalsContact O-N 3.16Å; I286-C290 PolarHBondContact O-N 3.08Å; I286-C290 PolarHBondContact O-SG 3.11Å; I286-L311 HydrophobicContact CG2-CD2 4.44Å |
| 287 | V | 94.2 | Very high | 93.7 | Very high | 17 Ų | 17 | 22.3 Ų | 22.3 | 10% | 0.103 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -56.3 | -51.6 | 174.9 | 176.1 | 0 | 0 | 0 | 0 | 110.1 | S289 C290 Y291 L311 K312 | V287-S289 VanDerWaalsContact C-N 3.29Å; V287-S289 PolarHBondContact O-N 3.17Å; V287-C290 WeakPolarHBondContact O-CB 3.41Å; V287-C290 PolarHBondContact O-N 3.17Å; V287-Y291 HydrophobicContact CG1-CD2 3.91Å; V287-Y291 HydrophobicContact CG1-CE2 3.69Å; V287-Y291 VanDerWaalsContact O-CD2 3.28Å; V287-Y291 WeakPolarHBondContact O-CD2 3.33Å; V287-Y291 PolarHBondContact O-N 3.36Å; V287-Y291 VanDerWaalsContact O-N 3.09Å; V287-L311 HydrophobicContact CG2-CD2 4.48Å; V287-L311 HydrophobicContact CG2-CG 4.37Å; V287-K312 HydrophobicContact CG1-CB 3.89Å; V287-K312 HydrophobicContact CG1-CD 4.14Å; V287-K312 HydrophobicContact CG1-CG 3.88Å |
| 288 | T | 93.8 | Very high | 93.7 | Very high | 2 Ų | 2 | 23.5 Ų | 23.5 | 1% | 0.012 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -56.1 | -43.3 | 176.6 | -59.7 | 0 | 0 | 0 | 0 | 112.4 | H285 I286 C290 Y291 L292 F445 E448 V449 | H285-T288 PolarHBondContact O-N 3.48Å; I286-T288 PolarHBondContact O-N 2.95Å; T288-C290 VanDerWaalsContact C-N 3.3Å; T288-C290 PolarHBondContact O-N 3.46Å; T288-Y291 PolarHBondContact O-N 2.87Å; T288-L292 HydrophobicContact CG2-CD1 4Å; T288-L292 PolarHBondContact O-N 3.43Å; T288-L292 VanDerWaalsContact O-N 3.15Å; T288-F445 HydrophobicContact CG2-CD2 3.99Å; T288-F445 HydrophobicContact CG2-CE2 3.92Å; T288-E448 HydrophobicContact CG2-CB 3.67Å; T288-E448 HydrophobicContact CG2-CG 3.52Å; T288-V449 HydrophobicContact CG2-CG2 3.81Å |
| 289 | S | 93.3 | Very high | 93.4 | Very high | 10 Ų | 10 | 30.7 Ų | 30.7 | 7% | 0.07 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -60.5 | -38.7 | 176.5 | -55.1 | 0 | 0 | 0 | 0 | 112.1 | H285 I286 V287 S293 | H285-S289 PolarHBondContact O-N 2.82Å; H285-S289 PolarHBondContact O-OG 3.2Å; I286-S289 WeakPolarHBondContact O-CB 3.45Å; I286-S289 PolarHBondContact O-N 2.99Å; I286-S289 VanDerWaalsContact O-N 3.16Å; V287-S289 VanDerWaalsContact C-N 3.29Å; V287-S289 PolarHBondContact O-N 3.17Å; S289-S293 WeakPolarHBondContact O-CB 3.31Å; S289-S293 PolarHBondContact O-N 2.64Å; S289-S293 VanDerWaalsContact O-N 3.15Å |
| 290 | C | 95.7 | Very high | 93.4 | Very high | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.007 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64.5 | -50 | 175.8 | -63.8 | 0 | 0 | 0 | 0 | 112.1 | I286 V287 T288 L292 S293 F296 F304 | I286-C290 PolarHBondContact O-N 3.08Å; I286-C290 PolarHBondContact O-SG 3.11Å; V287-C290 WeakPolarHBondContact O-CB 3.41Å; V287-C290 PolarHBondContact O-N 3.17Å; T288-C290 VanDerWaalsContact C-N 3.3Å; T288-C290 PolarHBondContact O-N 3.46Å; C290-L292 VanDerWaalsContact C-N 3.28Å; C290-L292 PolarHBondContact O-N 2.96Å; C290-S293 WeakPolarHBondContact O-CB 3.29Å; C290-S293 PolarHBondContact O-N 3.27Å; C290-S293 PolarHBondContact O-OG 3.47Å; C290-F296 VanDerWaalsContact O-CB 3.23Å; C290-F296 WeakPolarHBondContact O-CB 3.03Å; C290-F304 HydrophobicContact CB-CE1 4.08Å; C290-F304 HydrophobicContact CB-CZ 3.94Å |
| 291 | Y | 93.5 | Very high | 93.4 | Very high | 26 Ų | 26 | 33.4 Ų | 33.4 | 10% | 0.102 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.7 | -32.4 | -177.6 | -83.4 | -106.5 | 0 | 0 | 0 | 113.4 | V287 T288 F296 E309 K312 | V287-Y291 HydrophobicContact CG1-CD2 3.91Å; V287-Y291 HydrophobicContact CG1-CE2 3.69Å; V287-Y291 VanDerWaalsContact O-CD2 3.28Å; V287-Y291 WeakPolarHBondContact O-CD2 3.33Å; V287-Y291 PolarHBondContact O-N 3.36Å; V287-Y291 VanDerWaalsContact O-N 3.09Å; T288-Y291 PolarHBondContact O-N 2.87Å; Y291-F296 HydrophobicContact CD1-CE1 4.26Å; Y291-F296 AromaticContact CD1-CE2 3.89Å; Y291-F296 HydrophobicContact CD1-CE2 3.89Å; Y291-F296 AromaticContact CD1-CZ 3.62Å; Y291-F296 HydrophobicContact CD1-CZ 3.62Å; Y291-F296 HydrophobicContact CD2-CE2 4.33Å; Y291-F296 HydrophobicContact CE1-CE2 4.06Å; Y291-F296 AromaticContact CE1-CZ 3.8Å; Y291-F296 HydrophobicContact CE1-CZ 3.8Å; Y291-F296 HydrophobicContact CG-CE2 4.05Å; Y291-F296 HydrophobicContact CG-CZ 4.2Å; Y291-E309 WeakPolarHBondContact CE1-OE1 3.48Å; Y291-E309 PolarHBondContact OH-OE1 2.89Å; Y291-E309 PolarHBondContact OH-OE2 3.47Å; Y291-K312 HydrophobicContact CE2-CB 4.47Å; Y291-K312 HydrophobicContact CE2-CD 4.03Å; Y291-K312 WeakPolarHBondContact OH-CD 3.45Å |
| 292 | L | 92.6 | Very high | 93.3 | Very high | 47 Ų | 47 | 37.2 Ų | 37.2 | 25% | 0.246 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -86.6 | -14.1 | 179.2 | -66.5 | 177.7 | 0 | 0 | 0 | 113.8 | T288 C290 K297 F445 E448 | T288-L292 HydrophobicContact CG2-CD1 4Å; T288-L292 PolarHBondContact O-N 3.43Å; T288-L292 VanDerWaalsContact O-N 3.15Å; C290-L292 VanDerWaalsContact C-N 3.28Å; C290-L292 PolarHBondContact O-N 2.96Å; L292-K297 PolarHBondContact O-NZ 3.49Å; L292-F445 VanDerWaalsContact CD1-CA 3.45Å; L292-F445 HydrophobicContact CD1-CB 4.09Å; L292-F445 HydrophobicContact CD1-CD2 4.04Å; L292-E448 HydrophobicContact CD1-CB 3.78Å; L292-E448 HydrophobicContact CD1-CG 4.15Å; L292-E448 HydrophobicContact CD2-CB 4.32Å; L292-E448 HydrophobicContact CD2-CG 4.34Å; L292-E448 HydrophobicContact CG-CB 4.24Å; L292-E448 HydrophobicContact CG-CG 4.14Å |
| 293 | S | 94.1 | Very high | 93.3 | Very high | 6 Ų | 6 | 34.4 Ų | 34.4 | 4% | 0.042 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -59.6 | 150.9 | -177.1 | 71.8 | 0 | 0 | 0 | 0 | 112.5 | S289 C290 L295 F296 | S289-S293 WeakPolarHBondContact O-CB 3.31Å; S289-S293 PolarHBondContact O-N 2.64Å; S289-S293 VanDerWaalsContact O-N 3.15Å; C290-S293 WeakPolarHBondContact O-CB 3.29Å; C290-S293 PolarHBondContact O-N 3.27Å; C290-S293 PolarHBondContact O-OG 3.47Å; S293-L295 PolarHBondContact O-N 2.77Å; S293-F296 PolarHBondContact O-N 3.04Å; S293-F296 WeakPolarHBondContact OG-CB 3.3Å; S293-F296 PolarHBondContact OG-N 3.42Å |
| 294 | N | 94.7 | Very high | 93.7 | Very high | 52 Ų | 52 | 34.1 Ų | 34.1 | 28% | 0.278 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -58.9 | -39.9 | 172.3 | -70.7 | -29.1 | 0 | 0 | 0 | 111.3 | I243 S245 F296 K297 R298 | I243-N294 WeakPolarHBondContact O-CB 3.43Å; I243-N294 PolarHBondContact O-ND2 2.86Å; S245-N294 PolarHBondContact N-ND2 3.05Å; N294-F296 VanDerWaalsContact C-N 3.32Å; N294-F296 PolarHBondContact O-N 2.82Å; N294-K297 PolarHBondContact O-N 3.29Å; N294-K297 VanDerWaalsContact O-N 3.13Å; N294-R298 WeakPolarHBondContact O-CG 3.24Å; N294-R298 PolarHBondContact O-N 3.41Å |
| 295 | L | 96.2 | Very high | 94 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -58.5 | -42.2 | 179.1 | -177.9 | 56.8 | 0 | 0 | 0 | 112.1 | L240 I243 V254 C257 S293 K297 R298 G301 F304 | L240-L295 HydrophobicContact CD1-CB 4.11Å; L240-L295 HydrophobicContact CD1-CD2 4.27Å; I243-L295 HydrophobicContact CD1-CB 4.08Å; I243-L295 HydrophobicContact CD1-CD1 4.4Å; I243-L295 HydrophobicContact CD1-CD2 3.8Å; I243-L295 HydrophobicContact CD1-CG 4.31Å; I243-L295 HydrophobicContact CG2-CB 4.42Å; V254-L295 HydrophobicContact CG1-CD1 4.16Å; V254-L295 HydrophobicContact CG1-CD2 4.43Å; V254-L295 HydrophobicContact CG2-CD1 3.8Å; C257-L295 HydrophobicContact CB-CD2 4Å; S293-L295 PolarHBondContact O-N 2.77Å; L295-K297 PolarHBondContact O-N 3.06Å; L295-R298 PolarHBondContact O-N 3.49Å; L295-R298 VanDerWaalsContact O-N 3.13Å; L295-G301 WeakPolarHBondContact O-CA 3.21Å; L295-F304 HydrophobicContact CB-CD1 4.38Å; L295-F304 HydrophobicContact CD2-CB 3.93Å; L295-F304 HydrophobicContact CD2-CD1 4.03Å; L295-F304 HydrophobicContact CD2-CD2 3.6Å; L295-F304 HydrophobicContact CD2-CE1 4.46Å; L295-F304 HydrophobicContact CD2-CE2 4.07Å; L295-F304 HydrophobicContact CD2-CG 3.57Å; L295-F304 HydrophobicContact CD2-CZ 4.47Å; L295-F304 HydrophobicContact CG-CB 4.08Å; L295-F304 HydrophobicContact CG-CD1 3.96Å; L295-F304 HydrophobicContact CG-CD2 4.41Å; L295-F304 HydrophobicContact CG-CG 3.89Å |
| 296 | F | 95.4 | Very high | 94.1 | Very high | 37 Ų | 37 | 39.3 Ų | 39.3 | 16% | 0.162 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -58.6 | -33.1 | 178.9 | -170.3 | -81.6 | 0 | 0 | 0 | 112.9 | C290 Y291 S293 N294 F304 R305 | C290-F296 VanDerWaalsContact O-CB 3.23Å; C290-F296 WeakPolarHBondContact O-CB 3.03Å; Y291-F296 HydrophobicContact CD1-CE1 4.26Å; Y291-F296 AromaticContact CD1-CE2 3.89Å; Y291-F296 HydrophobicContact CD1-CE2 3.89Å; Y291-F296 AromaticContact CD1-CZ 3.62Å; Y291-F296 HydrophobicContact CD1-CZ 3.62Å; Y291-F296 HydrophobicContact CD2-CE2 4.33Å; Y291-F296 HydrophobicContact CE1-CE2 4.06Å; Y291-F296 AromaticContact CE1-CZ 3.8Å; Y291-F296 HydrophobicContact CE1-CZ 3.8Å; Y291-F296 HydrophobicContact CG-CE2 4.05Å; Y291-F296 HydrophobicContact CG-CZ 4.2Å; S293-F296 PolarHBondContact O-N 3.04Å; S293-F296 WeakPolarHBondContact OG-CB 3.3Å; S293-F296 PolarHBondContact OG-N 3.42Å; N294-F296 VanDerWaalsContact C-N 3.32Å; N294-F296 PolarHBondContact O-N 2.82Å; F296-F304 HydrophobicContact CB-CD1 4.38Å; F296-F304 HydrophobicContact CB-CE1 4.3Å; F296-R305 HydrophobicContact CB-CG 4.44Å; F296-R305 HydrophobicContact CD1-CG 3.95Å; F296-R305 HydrophobicContact CD2-CB 4.29Å; F296-R305 HydrophobicContact CD2-CG 3.61Å; F296-R305 HydrophobicContact CE1-CG 4.02Å; F296-R305 HydrophobicContact CE2-CB 4.07Å; F296-R305 HydrophobicContact CE2-CG 3.7Å; F296-R305 HydrophobicContact CG-CG 3.73Å; F296-R305 HydrophobicContact CZ-CB 4.41Å; F296-R305 HydrophobicContact CZ-CG 3.9Å; F296-R305 WeakPolarHBondContact O-CD 3.42Å; F296-R305 VanDerWaalsContact O-CG 3.22Å; F296-R305 WeakPolarHBondContact O-CG 3.41Å; F296-R305 PolarHBondContact O-NE 2.91Å |
| 297 | K | 93.4 | Very high | 94.2 | Very high | 142 Ų | 142 | 39.2 Ų | 39.2 | 62% | 0.617 | 18% | 0.181 | S | C | * | . | H | α-helix | trans | -85.3 | -10.7 | -178.1 | -61.7 | 169.6 | -173.6 | 162.5 | 0 | 113.5 | L292 N294 L295 | L292-K297 PolarHBondContact O-NZ 3.49Å; N294-K297 PolarHBondContact O-N 3.29Å; N294-K297 VanDerWaalsContact O-N 3.13Å; L295-K297 PolarHBondContact O-N 3.06Å |
| 298 | R | 93.5 | Very high | 94.3 | Very high | 27 Ų | 27 | 38.5 Ų | 38.5 | 10% | 0.102 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -91.3 | 154.7 | -176.3 | -74 | -177.1 | 73.7 | 119.1 | 8.3 | 112.3 | P244 S245 G247 N294 L295 E300 G301 | P244-R298 PolarHBondContact O-NH1 2.85Å; P244-R298 VanDerWaalsContact O-NH1 3.11Å; S245-R298 PolarHBondContact O-NH1 3.42Å; G247-R298 PolarHBondContact O-NH1 3.33Å; G247-R298 PolarHBondContact O-NH2 2.92Å; N294-R298 WeakPolarHBondContact O-CG 3.24Å; N294-R298 PolarHBondContact O-N 3.41Å; L295-R298 PolarHBondContact O-N 3.49Å; L295-R298 VanDerWaalsContact O-N 3.13Å; R298-E300 VanDerWaalsContact C-N 3.31Å; R298-E300 WeakPolarHBondContact CB-OE2 3.45Å; R298-E300 IonicContact CZ-OE1 3.09Å; R298-E300 IonicContact CZ-OE2 3.01Å; R298-E300 IonicContact NE-OE1 3.03Å; R298-E300 IonicContact NE-OE2 2.77Å; R298-E300 PolarHBondContact NE-OE2 2.99Å; R298-E300 IonicContact NH2-OE1 3.04Å; R298-E300 PolarHBondContact NH2-OE1 3.07Å; R298-E300 IonicContact NH2-OE2 3.86Å; R298-E300 PolarHBondContact NH2-OE2 3.44Å; R298-E300 PolarHBondContact O-N 2.93Å; R298-G301 PolarHBondContact O-N 3.16Å; R298-G301 VanDerWaalsContact O-N 3.07Å |
| 299 | E | 90.4 | Very high | 94.3 | Very high | 151 Ų | 151 | 42.6 Ų | 42.6 | 71% | 0.706 | 20% | 0.195 | S | C | * | . | G | 310 helix | trans | -63.5 | -38.7 | 173 | -70.6 | -54.3 | 125.1 | 0 | 0 | 111.6 | G301 K302 | E299-G301 PolarHBondContact O-N 3.1Å; E299-G301 VanDerWaalsContact O-N 3.08Å; E299-K302 PolarHBondContact O-N 3.18Å |
| 300 | E | 92.9 | Very high | 94.3 | Very high | 79 Ų | 79 | 43.4 Ų | 43.4 | 37% | 0.369 | 20% | 0.198 | S | C | . | . | G | 310 helix | trans | -62.3 | -17.7 | 174.7 | -56.1 | 97.6 | 144.2 | 0 | 0 | 112.9 | C249 R298 | C249-E300 HydrophobicContact CB-CG 4.48Å; R298-E300 VanDerWaalsContact C-N 3.31Å; R298-E300 WeakPolarHBondContact CB-OE2 3.45Å; R298-E300 IonicContact CZ-OE1 3.09Å; R298-E300 IonicContact CZ-OE2 3.01Å; R298-E300 IonicContact NE-OE1 3.03Å; R298-E300 IonicContact NE-OE2 2.77Å; R298-E300 PolarHBondContact NE-OE2 2.99Å; R298-E300 IonicContact NH2-OE1 3.04Å; R298-E300 PolarHBondContact NH2-OE1 3.07Å; R298-E300 IonicContact NH2-OE2 3.86Å; R298-E300 PolarHBondContact NH2-OE2 3.44Å; R298-E300 PolarHBondContact O-N 2.93Å |
| 301 | G | 93.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 20% | 0.198 | C | C | . | . | G | 310 helix | trans | -94.3 | 14.9 | 179 | 0 | 0 | 0 | 0 | 0 | 115.3 | L295 R298 E299 L303 F304 R305 | L295-G301 WeakPolarHBondContact O-CA 3.21Å; R298-G301 PolarHBondContact O-N 3.16Å; R298-G301 VanDerWaalsContact O-N 3.07Å; E299-G301 PolarHBondContact O-N 3.1Å; E299-G301 VanDerWaalsContact O-N 3.08Å; G301-L303 PolarHBondContact O-N 3.09Å; G301-F304 WeakPolarHBondContact O-CB 3.29Å; G301-F304 PolarHBondContact O-N 3.16Å; G301-R305 WeakPolarHBondContact O-CG 3.48Å; G301-R305 PolarHBondContact O-N 3.03Å |
| 302 | K | 93.3 | Very high | 94.4 | Very high | 82 Ų | 82 | 43 Ų | 43 | 36% | 0.357 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -54.4 | -48 | 178.8 | -174.8 | -175.3 | 169.2 | -167.3 | 0 | 112.6 | E299 R305 Q306 D478 N480 | E299-K302 PolarHBondContact O-N 3.18Å; K302-R305 WeakPolarHBondContact O-CB 3.49Å; K302-R305 PolarHBondContact O-N 3.16Å; K302-Q306 PolarHBondContact O-N 3.11Å; K302-D478 IonicContact NZ-OD1 2.62Å; K302-D478 PolarHBondContact NZ-OD1 2.99Å; K302-D478 IonicContact NZ-OD2 2.96Å; K302-N480 WeakPolarHBondContact CD-ND2 3.32Å |
| 303 | L | 93.2 | Very high | 94.4 | Very high | 20 Ų | 20 | 42.6 Ų | 42.6 | 11% | 0.105 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -67.4 | -42.6 | 176.8 | 172.9 | 62.3 | 0 | 0 | 0 | 111.2 | E258 G301 R305 Q306 L307 C492 A494 | E258-L303 HydrophobicContact CG-CD2 4.33Å; E258-L303 HydrophobicContact CG-CG 4.41Å; G301-L303 PolarHBondContact O-N 3.09Å; L303-R305 VanDerWaalsContact C-N 3.27Å; L303-R305 PolarHBondContact O-N 2.93Å; L303-Q306 PolarHBondContact O-N 2.86Å; L303-Q306 VanDerWaalsContact O-N 3.12Å; L303-L307 HydrophobicContact CD1-CD1 4.19Å; L303-L307 HydrophobicContact CD1-CG 4.11Å; L303-L307 HydrophobicContact CG-CD1 3.95Å; L303-L307 HydrophobicContact CG-CG 4.35Å; L303-L307 WeakPolarHBondContact O-CG 3.38Å; L303-L307 PolarHBondContact O-N 3.25Å; L303-C492 HydrophobicContact CD2-CB 4.16Å; L303-C492 WeakPolarHBondContact CD2-O 3.36Å; L303-A494 HydrophobicContact CD1-CB 3.82Å |
| 304 | F | 96.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -56.3 | -38.9 | 174.5 | -178.4 | -93 | 0 | 0 | 0 | 112.9 | F236 L240 C257 E258 L261 C290 L295 F296 G301 L307 S308 | F236-F304 HydrophobicContact CE2-CE2 4.48Å; F236-F304 HydrophobicContact CZ-CE2 4.25Å; F236-F304 HydrophobicContact CZ-CZ 4.47Å; L240-F304 HydrophobicContact CD1-CE1 4.16Å; L240-F304 HydrophobicContact CD1-CE2 3.95Å; L240-F304 HydrophobicContact CD1-CZ 3.51Å; L240-F304 HydrophobicContact CD2-CZ 4.1Å; L240-F304 HydrophobicContact CG-CZ 4.48Å; C257-F304 HydrophobicContact CB-CD2 4Å; C257-F304 HydrophobicContact CB-CE2 3.84Å; E258-F304 HydrophobicContact CG-CB 4.25Å; L261-F304 HydrophobicContact CD1-CD2 3.44Å; L261-F304 VanDerWaalsContact CD1-CD2 3.44Å; L261-F304 HydrophobicContact CD1-CE1 4.45Å; L261-F304 HydrophobicContact CD1-CE2 3.3Å; L261-F304 HydrophobicContact CD1-CG 4.1Å; L261-F304 HydrophobicContact CD1-CZ 3.86Å; L261-F304 HydrophobicContact CD2-CE2 4.41Å; L261-F304 HydrophobicContact CG-CD2 4.13Å; L261-F304 HydrophobicContact CG-CE2 3.75Å; L261-F304 HydrophobicContact CG-CZ 4.5Å; C290-F304 HydrophobicContact CB-CE1 4.08Å; C290-F304 HydrophobicContact CB-CZ 3.94Å; L295-F304 HydrophobicContact CB-CD1 4.38Å; L295-F304 HydrophobicContact CD2-CB 3.93Å; L295-F304 HydrophobicContact CD2-CD1 4.03Å; L295-F304 HydrophobicContact CD2-CD2 3.6Å; L295-F304 HydrophobicContact CD2-CE1 4.46Å; L295-F304 HydrophobicContact CD2-CE2 4.07Å; L295-F304 HydrophobicContact CD2-CG 3.57Å; L295-F304 HydrophobicContact CD2-CZ 4.47Å; L295-F304 HydrophobicContact CG-CB 4.08Å; L295-F304 HydrophobicContact CG-CD1 3.96Å; L295-F304 HydrophobicContact CG-CD2 4.41Å; L295-F304 HydrophobicContact CG-CG 3.89Å; F296-F304 HydrophobicContact CB-CD1 4.38Å; F296-F304 HydrophobicContact CB-CE1 4.3Å; G301-F304 WeakPolarHBondContact O-CB 3.29Å; G301-F304 PolarHBondContact O-N 3.16Å; F304-L307 PolarHBondContact O-N 2.88Å; F304-S308 WeakPolarHBondContact O-CB 3.49Å; F304-S308 PolarHBondContact O-N 2.99Å; F304-S308 PolarHBondContact O-OG 3.18Å |
| 305 | R | 96 | Very high | 94.3 | Very high | 78 Ų | 78 | 40.2 Ų | 40.2 | 29% | 0.294 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -61 | -50.2 | 172.7 | -76.6 | -173.6 | -90.8 | 159.4 | -6 | 111.6 | F296 G301 K302 L303 L307 S308 E309 | F296-R305 HydrophobicContact CB-CG 4.44Å; F296-R305 HydrophobicContact CD1-CG 3.95Å; F296-R305 HydrophobicContact CD2-CB 4.29Å; F296-R305 HydrophobicContact CD2-CG 3.61Å; F296-R305 HydrophobicContact CE1-CG 4.02Å; F296-R305 HydrophobicContact CE2-CB 4.07Å; F296-R305 HydrophobicContact CE2-CG 3.7Å; F296-R305 HydrophobicContact CG-CG 3.73Å; F296-R305 HydrophobicContact CZ-CB 4.41Å; F296-R305 HydrophobicContact CZ-CG 3.9Å; F296-R305 WeakPolarHBondContact O-CD 3.42Å; F296-R305 VanDerWaalsContact O-CG 3.22Å; F296-R305 WeakPolarHBondContact O-CG 3.41Å; F296-R305 PolarHBondContact O-NE 2.91Å; G301-R305 WeakPolarHBondContact O-CG 3.48Å; G301-R305 PolarHBondContact O-N 3.03Å; K302-R305 WeakPolarHBondContact O-CB 3.49Å; K302-R305 PolarHBondContact O-N 3.16Å; L303-R305 VanDerWaalsContact C-N 3.27Å; L303-R305 PolarHBondContact O-N 2.93Å; R305-L307 VanDerWaalsContact C-N 3.31Å; R305-L307 PolarHBondContact O-N 3.23Å; R305-S308 WeakPolarHBondContact O-CB 3.39Å; R305-S308 PolarHBondContact O-N 3.38Å; R305-S308 VanDerWaalsContact O-N 3.09Å; R305-E309 WeakPolarHBondContact O-CG 3.4Å; R305-E309 PolarHBondContact O-N 3.49Å |
| 306 | Q | 94.6 | Very high | 94 | Very high | 47 Ų | 47 | 42.5 Ų | 42.5 | 22% | 0.22 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.7 | -40.5 | 178.9 | -68.1 | 171 | -38.6 | 0 | 0 | 111.8 | K302 L303 M310 D478 N480 A494 | K302-Q306 PolarHBondContact O-N 3.11Å; L303-Q306 PolarHBondContact O-N 2.86Å; L303-Q306 VanDerWaalsContact O-N 3.12Å; Q306-M310 PolarHBondContact O-N 3.45Å; Q306-D478 PolarHBondContact NE2-OD2 3.4Å; Q306-N480 PolarHBondContact OE1-ND2 2.84Å; Q306-N480 VanDerWaalsContact OE1-ND2 3.11Å; Q306-A494 HydrophobicContact CB-CB 3.52Å |
| 307 | L | 96.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -66.7 | -37.3 | 173.7 | -68.2 | 169.9 | 0 | 0 | 0 | 112.3 | E258 L261 I265 L303 F304 R305 M310 L311 A494 | E258-L307 HydrophobicContact CB-CD1 3.88Å; E258-L307 HydrophobicContact CG-CD1 4.17Å; L261-L307 HydrophobicContact CB-CB 3.96Å; L261-L307 HydrophobicContact CB-CD1 4.35Å; L261-L307 HydrophobicContact CD1-CB 3.74Å; I265-L307 HydrophobicContact CD1-CB 4.3Å; I265-L307 HydrophobicContact CD1-CD2 3.99Å; I265-L307 WeakPolarHBondContact CD1-O 3.39Å; L303-L307 HydrophobicContact CD1-CD1 4.19Å; L303-L307 HydrophobicContact CD1-CG 4.11Å; L303-L307 HydrophobicContact CG-CD1 3.95Å; L303-L307 HydrophobicContact CG-CG 4.35Å; L303-L307 WeakPolarHBondContact O-CG 3.38Å; L303-L307 PolarHBondContact O-N 3.25Å; F304-L307 PolarHBondContact O-N 2.88Å; R305-L307 VanDerWaalsContact C-N 3.31Å; R305-L307 PolarHBondContact O-N 3.23Å; L307-M310 HydrophobicContact CD2-CE 3.93Å; L307-M310 PolarHBondContact O-N 3.18Å; L307-L311 WeakPolarHBondContact O-CB 3.49Å; L307-L311 PolarHBondContact O-N 2.95Å; L307-A494 HydrophobicContact CD2-CB 4.15Å; L307-A494 HydrophobicContact CG-CB 4.37Å |
| 308 | S | 97 | Very high | 93.7 | Very high | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.007 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.9 | -41.5 | 177.4 | -61.9 | 0 | 0 | 0 | 0 | 111.7 | L261 F304 R305 L311 K312 | L261-S308 WeakPolarHBondContact CD1-OG 3.23Å; F304-S308 WeakPolarHBondContact O-CB 3.49Å; F304-S308 PolarHBondContact O-N 2.99Å; F304-S308 PolarHBondContact O-OG 3.18Å; R305-S308 WeakPolarHBondContact O-CB 3.39Å; R305-S308 PolarHBondContact O-N 3.38Å; R305-S308 VanDerWaalsContact O-N 3.09Å; S308-L311 PolarHBondContact O-N 3.24Å; S308-K312 WeakPolarHBondContact O-CB 3.42Å; S308-K312 PolarHBondContact O-N 2.9Å |
| 309 | E | 93.2 | Very high | 93.6 | Very high | 89 Ų | 89 | 35.2 Ų | 35.2 | 42% | 0.416 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -61.4 | -45.2 | 172.1 | -69 | -62.1 | 150 | 0 | 0 | 111.2 | Y291 R305 L311 K312 F313 | Y291-E309 WeakPolarHBondContact CE1-OE1 3.48Å; Y291-E309 PolarHBondContact OH-OE1 2.89Å; Y291-E309 PolarHBondContact OH-OE2 3.47Å; R305-E309 WeakPolarHBondContact O-CG 3.4Å; R305-E309 PolarHBondContact O-N 3.49Å; E309-L311 VanDerWaalsContact C-N 3.35Å; E309-L311 PolarHBondContact O-N 2.97Å; E309-K312 PolarHBondContact O-N 3.45Å; E309-F313 WeakPolarHBondContact O-CB 3.47Å; E309-F313 PolarHBondContact O-N 3.42Å |
| 310 | M | 93.9 | Very high | 93.6 | Very high | 27 Ų | 27 | 30.9 Ų | 30.9 | 13% | 0.133 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -63.9 | -38.7 | 177.2 | -173 | 163.2 | 73.2 | 0 | 0 | 112 | I265 Q306 L307 F313 Y314 | I265-M310 HydrophobicContact CD1-CB 4.01Å; I265-M310 HydrophobicContact CD1-CE 3.5Å; I265-M310 HydrophobicContact CD1-CG 4.06Å; I265-M310 HydrophobicContact CG1-CE 4.44Å; I265-M310 HydrophobicContact CG1-CG 4.48Å; I265-M310 HydrophobicContact CG2-CE 3.9Å; I265-M310 HydrophobicContact CG2-CG 4.13Å; I265-M310 HydrophobicContact CG2-SD 4.41Å; Q306-M310 PolarHBondContact O-N 3.45Å; L307-M310 HydrophobicContact CD2-CE 3.93Å; L307-M310 PolarHBondContact O-N 3.18Å; M310-F313 WeakPolarHBondContact O-CB 3.27Å; M310-F313 PolarHBondContact O-N 3.29Å; M310-Y314 HydrophobicContact CG-CD2 3.98Å; M310-Y314 HydrophobicContact CG-CE2 3.73Å; M310-Y314 VanDerWaalsContact O-CD2 3.23Å; M310-Y314 WeakPolarHBondContact O-CD2 3.47Å; M310-Y314 PolarHBondContact O-N 3.36Å; M310-Y314 HydrophobicContact SD-CE2 4.31Å |
| 311 | L | 96.4 | Very high | 93.4 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.005 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -64.8 | -45.3 | 173.9 | -179 | 61.5 | 0 | 0 | 0 | 111.5 | L261 L264 I265 L281 I286 V287 L307 S308 E309 F313 Y314 C315 | L261-L311 HydrophobicContact CD2-CD2 3.83Å; L264-L311 HydrophobicContact CB-CD1 3.81Å; L264-L311 HydrophobicContact CB-CD2 4.22Å; L264-L311 HydrophobicContact CD1-CD2 3.96Å; I265-L311 HydrophobicContact CD1-CB 4.31Å; I265-L311 HydrophobicContact CG1-CB 3.83Å; I265-L311 HydrophobicContact CG1-CD1 4Å; L281-L311 HydrophobicContact CD2-CD1 3.93Å; I286-L311 HydrophobicContact CG2-CD2 4.44Å; V287-L311 HydrophobicContact CG2-CD2 4.48Å; V287-L311 HydrophobicContact CG2-CG 4.37Å; L307-L311 WeakPolarHBondContact O-CB 3.49Å; L307-L311 PolarHBondContact O-N 2.95Å; S308-L311 PolarHBondContact O-N 3.24Å; E309-L311 VanDerWaalsContact C-N 3.35Å; E309-L311 PolarHBondContact O-N 2.97Å; L311-F313 VanDerWaalsContact C-N 3.28Å; L311-F313 PolarHBondContact O-N 3.49Å; L311-Y314 PolarHBondContact O-N 2.84Å; L311-C315 WeakPolarHBondContact O-CB 3.37Å; L311-C315 PolarHBondContact O-N 2.99Å; L311-C315 PolarHBondContact O-SG 3.46Å |
| 312 | K | 94.6 | Very high | 93 | Very high | 17 Ų | 17 | 31.2 Ų | 31.2 | 7% | 0.074 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -58.4 | -43.3 | 176.5 | -172.7 | 179.3 | -170.2 | -168.2 | 0 | 111 | V287 Y291 S308 E309 C315 R316 E455 Y457 | V287-K312 HydrophobicContact CG1-CB 3.89Å; V287-K312 HydrophobicContact CG1-CD 4.14Å; V287-K312 HydrophobicContact CG1-CG 3.88Å; Y291-K312 HydrophobicContact CE2-CB 4.47Å; Y291-K312 HydrophobicContact CE2-CD 4.03Å; Y291-K312 WeakPolarHBondContact OH-CD 3.45Å; S308-K312 WeakPolarHBondContact O-CB 3.42Å; S308-K312 PolarHBondContact O-N 2.9Å; E309-K312 PolarHBondContact O-N 3.45Å; K312-C315 PolarHBondContact O-N 3.27Å; K312-R316 PolarHBondContact O-N 3.49Å; K312-E455 WeakPolarHBondContact CE-OE1 3.37Å; K312-E455 IonicContact NZ-OE1 2.96Å; K312-E455 PolarHBondContact NZ-OE1 3Å; K312-Y457 HydrophobicContact CD-CE2 4.22Å; K312-Y457 HydrophobicContact CG-CE2 4.2Å |
| 313 | F | 92.2 | Very high | 92.6 | Very high | 39 Ų | 39 | 31.1 Ų | 31.1 | 17% | 0.171 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -54.8 | -56.1 | 173.7 | 170.2 | -92.5 | 0 | 0 | 0 | 111.6 | E309 M310 L311 C315 R316 F317 Q460 L510 | E309-F313 WeakPolarHBondContact O-CB 3.47Å; E309-F313 PolarHBondContact O-N 3.42Å; M310-F313 WeakPolarHBondContact O-CB 3.27Å; M310-F313 PolarHBondContact O-N 3.29Å; L311-F313 VanDerWaalsContact C-N 3.28Å; L311-F313 PolarHBondContact O-N 3.49Å; F313-C315 PolarHBondContact O-N 3Å; F313-R316 CarbonylContact O-C 3.54Å; F313-R316 PolarHBondContact O-N 3.33Å; F313-F317 AromaticContact CE1-CD2 3.65Å; F313-F317 HydrophobicContact CE1-CD2 3.65Å; F313-F317 AromaticContact CE1-CE2 3.98Å; F313-F317 HydrophobicContact CE1-CE2 3.98Å; F313-F317 AromaticContact CZ-CD2 3.59Å; F313-F317 HydrophobicContact CZ-CD2 3.59Å; F313-F317 AromaticContact CZ-CE2 3.67Å; F313-F317 HydrophobicContact CZ-CE2 3.67Å; F313-F317 PolarHBondContact O-N 3.29Å; F313-Q460 VanDerWaalsContact CE2-CD 3.41Å; F313-Q460 HydrophobicContact CE2-CG 4.29Å; F313-Q460 VanDerWaalsContact CE2-OE1 3.29Å; F313-L510 HydrophobicContact CE1-CD2 4.16Å; F313-L510 HydrophobicContact CE2-CD2 3.79Å; F313-L510 HydrophobicContact CZ-CD2 3.3Å |
| 314 | Y | 94 | Very high | 92.2 | Very high | 3 Ų | 3 | 31 Ų | 31 | 1% | 0.012 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64.7 | -40.4 | 179.9 | -75.9 | -73.1 | 0 | 0 | 0 | 111.4 | I265 R274 M310 L311 R316 F317 N496 L503 R511 | I265-Y314 HydrophobicContact CG2-CD2 3.55Å; I265-Y314 HydrophobicContact CG2-CE2 3.64Å; R274-Y314 PolarHBondContact NH1-O 2.98Å; R274-Y314 PolarHBondContact NH2-O 3.48Å; M310-Y314 HydrophobicContact CG-CD2 3.98Å; M310-Y314 HydrophobicContact CG-CE2 3.73Å; M310-Y314 VanDerWaalsContact O-CD2 3.23Å; M310-Y314 WeakPolarHBondContact O-CD2 3.47Å; M310-Y314 PolarHBondContact O-N 3.36Å; M310-Y314 HydrophobicContact SD-CE2 4.31Å; L311-Y314 PolarHBondContact O-N 2.84Å; Y314-R316 PolarHBondContact O-N 2.91Å; Y314-R316 VanDerWaalsContact O-N 3.08Å; Y314-F317 WeakPolarHBondContact O-CB 3.26Å; Y314-F317 PolarHBondContact O-N 3.26Å; Y314-N496 PolarHBondContact OH-OD1 3.45Å; Y314-L503 HydrophobicContact CD1-CD1 4.12Å; Y314-R511 PolarHBondContact OH-NE 3.38Å |
| 315 | C | 93.7 | Very high | 91.7 | Very high | 5 Ų | 5 | 37.5 Ų | 37.5 | 3% | 0.034 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -54.2 | -34.2 | 177.2 | -68.6 | 0 | 0 | 0 | 0 | 113 | R274 N278 L281 Q282 L311 K312 F313 | R274-C315 PolarHBondContact NH2-O 3.27Å; N278-C315 PolarHBondContact ND2-O 3.43Å; N278-C315 PolarHBondContact OD1-O 3.14Å; L281-C315 WeakPolarHBondContact CD2-SG 3.41Å; Q282-C315 PolarHBondContact NE2-O 3.09Å; Q282-C315 VanDerWaalsContact NE2-O 3.13Å; L311-C315 WeakPolarHBondContact O-CB 3.37Å; L311-C315 PolarHBondContact O-N 2.99Å; L311-C315 PolarHBondContact O-SG 3.46Å; K312-C315 PolarHBondContact O-N 3.27Å; F313-C315 PolarHBondContact O-N 3Å |
| 316 | R | 90.5 | Very high | 91.3 | Very high | 47 Ų | 47 | 36.7 Ų | 36.7 | 18% | 0.177 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.5 | 12.8 | -175.3 | -64 | -175.1 | 173.5 | -138.4 | -20.5 | 114.5 | K312 F313 Y314 E318 T452 | K312-R316 PolarHBondContact O-N 3.49Å; F313-R316 CarbonylContact O-C 3.54Å; F313-R316 PolarHBondContact O-N 3.33Å; Y314-R316 PolarHBondContact O-N 2.91Å; Y314-R316 VanDerWaalsContact O-N 3.08Å; R316-E318 PolarHBondContact O-N 3.3Å; R316-T452 PolarHBondContact NH1-O 3.44Å; R316-T452 PolarHBondContact NH2-O 2.63Å |
| 317 | F | 92 | Very high | 91 | Very high | 8 Ų | 8 | 36 Ų | 36 | 4% | 0.035 | 19% | 0.192 | C | C | . | . | trans | -51.4 | 139.5 | 178.1 | -164.1 | -82.6 | 0 | 0 | 0 | 110.9 | F313 Y314 I319 L503 T504 Y506 D507 | F313-F317 AromaticContact CE1-CD2 3.65Å; F313-F317 HydrophobicContact CE1-CD2 3.65Å; F313-F317 AromaticContact CE1-CE2 3.98Å; F313-F317 HydrophobicContact CE1-CE2 3.98Å; F313-F317 AromaticContact CZ-CD2 3.59Å; F313-F317 HydrophobicContact CZ-CD2 3.59Å; F313-F317 AromaticContact CZ-CE2 3.67Å; F313-F317 HydrophobicContact CZ-CE2 3.67Å; F313-F317 PolarHBondContact O-N 3.29Å; Y314-F317 WeakPolarHBondContact O-CB 3.26Å; Y314-F317 PolarHBondContact O-N 3.26Å; F317-I319 HydrophobicContact CB-CG2 4.4Å; F317-I319 HydrophobicContact CD1-CB 3.91Å; F317-I319 HydrophobicContact CD1-CG2 3.81Å; F317-I319 HydrophobicContact CE1-CB 4.42Å; F317-I319 PolarHBondContact O-N 2.73Å; F317-L503 HydrophobicContact CB-CD1 4.27Å; F317-L503 HydrophobicContact CD1-CB 4.42Å; F317-L503 HydrophobicContact CD1-CD1 4Å; F317-L503 HydrophobicContact CD2-CD1 4.25Å; F317-L503 HydrophobicContact CE1-CB 4.25Å; F317-L503 HydrophobicContact CG-CD1 3.88Å; F317-T504 HydrophobicContact CE1-CG2 3.92Å; F317-T504 WeakPolarHBondContact CE1-OG1 3.36Å; F317-T504 WeakPolarHBondContact CZ-OG1 3.34Å; F317-Y506 HydrophobicContact CE2-CD1 4.4Å; F317-Y506 AromaticContact CZ-CD1 3.97Å; F317-Y506 HydrophobicContact CZ-CD1 3.97Å; F317-D507 HydrophobicContact CE1-CB 4.34Å; F317-D507 HydrophobicContact CE2-CB 3.87Å; F317-D507 HydrophobicContact CZ-CB 3.51Å | ||
| 318 | E | 90.2 | Very high | 90.5 | Very high | 36 Ų | 36 | 39.7 Ų | 39.7 | 17% | 0.168 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -76.2 | 65.5 | -171.6 | -53.9 | -173.1 | 174.1 | 0 | 0 | 111.8 | R316 L327 M332 | R316-E318 PolarHBondContact O-N 3.3Å; E318-L327 PolarHBondContact O-N 3.21Å; E318-M332 HydrophobicContact CB-CE 4.47Å; E318-M332 HydrophobicContact CB-CG 3.92Å; E318-M332 HydrophobicContact CB-SD 3.93Å; E318-M332 HydrophobicContact CG-CE 3.87Å; E318-M332 HydrophobicContact CG-CG 3.89Å; E318-M332 HydrophobicContact CG-SD 3.96Å |
| 319 | I | 91.3 | Very high | 89.7 | Confident | 9 Ų | 9 | 43.4 Ų | 43.4 | 5% | 0.046 | 24% | 0.237 | C | C | . | . | B | Isolated β-bridge | trans | -139.8 | 145.1 | -177.1 | -167.8 | 176.9 | 0 | 0 | 0 | 110.1 | L271 F317 D321 E325 L503 T504 | L271-I319 HydrophobicContact CD1-CD1 4.08Å; F317-I319 HydrophobicContact CB-CG2 4.4Å; F317-I319 HydrophobicContact CD1-CB 3.91Å; F317-I319 HydrophobicContact CD1-CG2 3.81Å; F317-I319 HydrophobicContact CE1-CB 4.42Å; F317-I319 PolarHBondContact O-N 2.73Å; I319-D321 PolarHBondContact O-N 3.29Å; I319-E325 WeakPolarHBondContact CA-O 3.23Å; I319-E325 WeakPolarHBondContact CG1-O 3.46Å; I319-L503 HydrophobicContact CD1-CB 4.06Å; I319-L503 WeakPolarHBondContact CD1-O 3.47Å; I319-T504 HydrophobicContact CB-CG2 4.33Å; I319-T504 HydrophobicContact CD1-CG2 3.81Å; I319-T504 HydrophobicContact CG1-CG2 4.03Å |
| 320 | D | 90.3 | Very high | 89.4 | Confident | 61 Ų | 61 | 46.4 Ų | 46.4 | 33% | 0.326 | 25% | 0.249 | S | C | . | . | trans | -77.6 | 110 | 164.7 | 178.4 | -68.5 | 0 | 0 | 0 | 109.2 | L322 T323 G324 E325 L327 | D320-L322 PolarHBondContact O-N 3.19Å; D320-L322 WeakPolarHBondContact OD1-CA 3.4Å; D320-L322 WeakPolarHBondContact OD1-CB 3.14Å; D320-L322 PolarHBondContact OD1-N 2.75Å; D320-T323 VanDerWaalsContact CB-OG1 3.24Å; D320-T323 WeakPolarHBondContact CB-OG1 3.37Å; D320-T323 VanDerWaalsContact CG-OG1 3.23Å; D320-T323 PolarHBondContact O-N 3.28Å; D320-T323 PolarHBondContact OD1-N 2.89Å; D320-T323 PolarHBondContact OD1-OG1 2.92Å; D320-G324 WeakPolarHBondContact O-CA 3.32Å; D320-G324 PolarHBondContact O-N 2.89Å; D320-E325 PolarHBondContact N-O 3.39Å; D320-L327 HydrophobicContact CB-CD2 4.3Å | ||
| 321 | D | 88.3 | Confident | 89.2 | Confident | 38 Ų | 38 | 49.3 Ų | 49.3 | 20% | 0.203 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | -23 | -174.8 | -72.3 | -21.5 | 0 | 0 | 0 | 114 | R274 R275 N278 I319 | R274-D321 IonicContact CZ-OD1 2.74Å; R274-D321 IonicContact NE-OD1 2.87Å; R274-D321 PolarHBondContact NE-OD1 3.47Å; R274-D321 IonicContact NH2-OD1 3.74Å; R274-D321 PolarHBondContact NH2-OD1 3.22Å; R275-D321 WeakPolarHBondContact CA-O 3.33Å; R275-D321 WeakPolarHBondContact CB-O 3.48Å; R275-D321 WeakPolarHBondContact CG-O 3.21Å; N278-D321 PolarHBondContact ND2-OD2 3.42Å; I319-D321 PolarHBondContact O-N 3.29Å |
| 322 | L | 85.1 | Confident | 88.7 | Confident | 48 Ų | 48 | 51.5 Ų | 51.5 | 25% | 0.251 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | -51.1 | -176.4 | -60.9 | -177 | 0 | 0 | 0 | 111.9 | N197 L200 R275 D320 | N197-L322 HydrophobicContact CB-CD1 4.13Å; L200-L322 HydrophobicContact CD1-CD1 3.7Å; L200-L322 HydrophobicContact CD1-CD2 3.68Å; L200-L322 HydrophobicContact CD1-CG 4.34Å; R275-L322 HydrophobicContact CG-CD2 4Å; R275-L322 VanDerWaalsContact CZ-O 3.23Å; R275-L322 PolarHBondContact NE-O 2.78Å; R275-L322 VanDerWaalsContact NE-O 3.17Å; R275-L322 PolarHBondContact NH2-O 3.28Å; R275-L322 VanDerWaalsContact NH2-O 3.09Å; D320-L322 PolarHBondContact O-N 3.19Å; D320-L322 WeakPolarHBondContact OD1-CA 3.4Å; D320-L322 WeakPolarHBondContact OD1-CB 3.14Å; D320-L322 PolarHBondContact OD1-N 2.75Å |
| 323 | T | 83.9 | Confident | 88.4 | Confident | 79 Ų | 79 | 53.7 Ų | 53.7 | 49% | 0.485 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -34.3 | -178.8 | 60.6 | 0 | 0 | 0 | 0 | 111.6 | D320 E325 | D320-T323 VanDerWaalsContact CB-OG1 3.24Å; D320-T323 WeakPolarHBondContact CB-OG1 3.37Å; D320-T323 VanDerWaalsContact CG-OG1 3.23Å; D320-T323 PolarHBondContact O-N 3.28Å; D320-T323 PolarHBondContact OD1-N 2.89Å; D320-T323 PolarHBondContact OD1-OG1 2.92Å; T323-E325 VanDerWaalsContact C-N 3.3Å; T323-E325 PolarHBondContact OG1-N 2.85Å |
| 324 | G | 85.7 | Confident | 88.2 | Confident | 17 Ų | 17 | 55 Ų | 55 | 18% | 0.175 | 29% | 0.293 | C | S | . | . | trans | 83.3 | 4.4 | -169.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | D320 | D320-G324 WeakPolarHBondContact O-CA 3.32Å; D320-G324 PolarHBondContact O-N 2.89Å | ||
| 325 | E | 86.9 | Confident | 87.9 | Confident | 138 Ų | 138 | 58.5 Ų | 58.5 | 65% | 0.645 | 31% | 0.312 | S | S | * | . | P | Polyproline II helix | trans | -76.4 | 138.7 | 179.6 | -68 | 179.4 | -175.5 | 0 | 0 | 111.1 | I319 D320 T323 | I319-E325 WeakPolarHBondContact CA-O 3.23Å; I319-E325 WeakPolarHBondContact CG1-O 3.46Å; D320-E325 PolarHBondContact N-O 3.39Å; T323-E325 VanDerWaalsContact C-N 3.3Å; T323-E325 PolarHBondContact OG1-N 2.85Å |
| 326 | A | 87.9 | Confident | 87.7 | Confident | 60 Ų | 60 | 59.4 Ų | 59.4 | 50% | 0.496 | 32% | 0.315 | S | S | . | . | B | Isolated β-bridge | trans | -66.9 | 132.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | T504 | A326-T504 HydrophobicContact CB-CG2 3.79Å |
| 327 | L | 88.3 | Confident | 87.6 | Confident | 33 Ų | 33 | 61 Ų | 61 | 17% | 0.173 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -83.5 | 131.4 | 175.6 | -64.7 | 173.1 | 0 | 0 | 0 | 109.5 | E318 D320 Q331 M332 L335 | E318-L327 PolarHBondContact O-N 3.21Å; D320-L327 HydrophobicContact CB-CD2 4.3Å; L327-Q331 HydrophobicContact CB-CB 4.45Å; L327-Q331 HydrophobicContact CD2-CB 4.33Å; L327-M332 HydrophobicContact CB-CG 3.87Å; L327-M332 HydrophobicContact CB-SD 3.94Å; L327-M332 HydrophobicContact CD1-SD 3.57Å; L327-M332 VanDerWaalsContact CD1-SD 3.57Å; L327-M332 HydrophobicContact CG-SD 4.42Å; L327-L335 HydrophobicContact CD1-CD1 3.85Å |
| 328 | T | 84.5 | Confident | 87.3 | Confident | 78 Ų | 78 | 66 Ų | 66 | 48% | 0.479 | 35% | 0.349 | S | S | . | . | P | Polyproline II helix | trans | -67.6 | 155.9 | 172.1 | 61.4 | 0 | 0 | 0 | 0 | 110.8 | K330 Q331 M332 | T328-K330 PolarHBondContact O-N 3.38Å; T328-K330 VanDerWaalsContact O-N 3.1Å; T328-Q331 PolarHBondContact O-N 2.85Å; T328-Q331 VanDerWaalsContact OG1-CG 3.29Å; T328-Q331 WeakPolarHBondContact OG1-CG 3.39Å; T328-Q331 PolarHBondContact OG1-N 3.43Å; T328-Q331 PolarHBondContact OG1-OE1 3.35Å; T328-M332 PolarHBondContact O-N 3.48Å |
| 329 | T | 81.8 | Confident | 87 | Confident | 78 Ų | 78 | 69 Ų | 69 | 48% | 0.479 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -53 | -35.8 | 174.8 | -46.1 | 0 | 0 | 0 | 0 | 112.2 | M333 | T329-M333 WeakPolarHBondContact O-CB 3.44Å; T329-M333 PolarHBondContact O-N 3.47Å |
| 330 | K | 86.4 | Confident | 86.8 | Confident | 152 Ų | 152 | 68.7 Ų | 68.7 | 66% | 0.661 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -65.8 | -48.7 | 174.8 | -175.5 | -179.1 | 176.8 | -177.3 | 0 | 112.1 | T328 M332 M333 D334 | T328-K330 PolarHBondContact O-N 3.38Å; T328-K330 VanDerWaalsContact O-N 3.1Å; K330-M332 VanDerWaalsContact C-N 3.31Å; K330-M332 PolarHBondContact O-N 3.12Å; K330-M333 WeakPolarHBondContact O-CB 3.39Å; K330-M333 PolarHBondContact O-N 2.72Å; K330-D334 VanDerWaalsContact O-CG 3.26Å; K330-D334 PolarHBondContact O-N 3.24Å |
| 331 | Q | 89.2 | Confident | 86.4 | Confident | 89 Ų | 89 | 66.7 Ų | 66.7 | 42% | 0.416 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -61.7 | -40.3 | 177.4 | -73.7 | 163.4 | -42 | 0 | 0 | 111.7 | L327 T328 D334 L335 | L327-Q331 HydrophobicContact CB-CB 4.45Å; L327-Q331 HydrophobicContact CD2-CB 4.33Å; T328-Q331 PolarHBondContact O-N 2.85Å; T328-Q331 VanDerWaalsContact OG1-CG 3.29Å; T328-Q331 WeakPolarHBondContact OG1-CG 3.39Å; T328-Q331 PolarHBondContact OG1-N 3.43Å; T328-Q331 PolarHBondContact OG1-OE1 3.35Å; Q331-D334 PolarHBondContact O-N 2.96Å; Q331-L335 WeakPolarHBondContact O-CB 3.25Å; Q331-L335 VanDerWaalsContact O-CG 3.28Å; Q331-L335 WeakPolarHBondContact O-CG 3.24Å; Q331-L335 PolarHBondContact O-N 3.1Å |
| 332 | M | 87 | Confident | 85.9 | Confident | 46 Ų | 46 | 68.6 Ų | 68.6 | 23% | 0.227 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -61.2 | -44.1 | 174 | -76.4 | -60.7 | -59.8 | 0 | 0 | 111.8 | E318 L327 T328 K330 L335 H336 | E318-M332 HydrophobicContact CB-CE 4.47Å; E318-M332 HydrophobicContact CB-CG 3.92Å; E318-M332 HydrophobicContact CB-SD 3.93Å; E318-M332 HydrophobicContact CG-CE 3.87Å; E318-M332 HydrophobicContact CG-CG 3.89Å; E318-M332 HydrophobicContact CG-SD 3.96Å; L327-M332 HydrophobicContact CB-CG 3.87Å; L327-M332 HydrophobicContact CB-SD 3.94Å; L327-M332 HydrophobicContact CD1-SD 3.57Å; L327-M332 VanDerWaalsContact CD1-SD 3.57Å; L327-M332 HydrophobicContact CG-SD 4.42Å; T328-M332 PolarHBondContact O-N 3.48Å; K330-M332 VanDerWaalsContact C-N 3.31Å; K330-M332 PolarHBondContact O-N 3.12Å; M332-L335 PolarHBondContact O-N 2.82Å; M332-H336 WeakPolarHBondContact O-CB 3.33Å; M332-H336 PolarHBondContact O-N 2.89Å |
| 333 | M | 86.9 | Confident | 85.8 | Confident | 63 Ų | 63 | 66.3 Ų | 66.3 | 31% | 0.31 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -62.9 | -45.1 | 175.4 | -169.7 | 64.6 | 65.4 | 0 | 0 | 111.7 | T329 K330 L335 H336 M337 | T329-M333 WeakPolarHBondContact O-CB 3.44Å; T329-M333 PolarHBondContact O-N 3.47Å; K330-M333 WeakPolarHBondContact O-CB 3.39Å; K330-M333 PolarHBondContact O-N 2.72Å; M333-L335 PolarHBondContact O-N 2.81Å; M333-H336 PolarHBondContact O-N 3.24Å; M333-M337 HydrophobicContact CG-CE 3.6Å; M333-M337 HydrophobicContact CG-CG 4.37Å; M333-M337 HydrophobicContact CG-SD 4.12Å; M333-M337 WeakPolarHBondContact O-CB 3.36Å; M333-M337 VanDerWaalsContact O-CG 3.27Å; M333-M337 WeakPolarHBondContact O-CG 3.42Å; M333-M337 PolarHBondContact O-N 2.71Å; M333-M337 HydrophobicContact SD-CE 3.93Å |
| 334 | D | 89.1 | Confident | 85.5 | Confident | 68 Ų | 68 | 63.8 Ų | 63.8 | 36% | 0.364 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62.3 | -42.5 | 178.8 | -70 | -23.3 | 0 | 0 | 0 | 111.2 | K330 Q331 M337 Q338 | K330-D334 VanDerWaalsContact O-CG 3.26Å; K330-D334 PolarHBondContact O-N 3.24Å; Q331-D334 PolarHBondContact O-N 2.96Å; D334-M337 PolarHBondContact O-N 3.39Å; D334-Q338 WeakPolarHBondContact O-CB 3.49Å; D334-Q338 WeakPolarHBondContact O-CG 3.44Å; D334-Q338 PolarHBondContact O-N 3.06Å |
| 335 | L | 87.1 | Confident | 84.8 | Confident | 76 Ų | 76 | 67.8 Ų | 67.8 | 40% | 0.398 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.2 | -42.3 | 175.2 | -74.6 | 171 | 0 | 0 | 0 | 112 | L327 Q331 M332 M333 Q338 K339 | L327-L335 HydrophobicContact CD1-CD1 3.85Å; Q331-L335 WeakPolarHBondContact O-CB 3.25Å; Q331-L335 VanDerWaalsContact O-CG 3.28Å; Q331-L335 WeakPolarHBondContact O-CG 3.24Å; Q331-L335 PolarHBondContact O-N 3.1Å; M332-L335 PolarHBondContact O-N 2.82Å; M333-L335 PolarHBondContact O-N 2.81Å; L335-Q338 PolarHBondContact O-N 2.94Å; L335-K339 WeakPolarHBondContact O-CG 3.28Å; L335-K339 PolarHBondContact O-N 3.02Å; L335-K339 VanDerWaalsContact O-N 3.1Å |
| 336 | H | 88.9 | Confident | 83.5 | Confident | 23 Ų | 23 | 62.3 Ų | 62.3 | 11% | 0.106 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -64.7 | -49 | 176 | 175.2 | 62.6 | 0 | 0 | 0 | 111.6 | M332 M333 Q338 K339 V340 D401 H454 K456 | M332-H336 WeakPolarHBondContact O-CB 3.33Å; M332-H336 PolarHBondContact O-N 2.89Å; M333-H336 PolarHBondContact O-N 3.24Å; H336-Q338 VanDerWaalsContact C-N 3.26Å; H336-Q338 PolarHBondContact O-N 3Å; H336-K339 WeakPolarHBondContact O-CB 3.37Å; H336-K339 PolarHBondContact O-N 3.17Å; H336-V340 PolarHBondContact O-N 2.93Å; H336-D401 IonicContact CD2-OD2 3.17Å; H336-D401 WeakPolarHBondContact NE2-CB 3.29Å; H336-D401 IonicContact NE2-OD2 2.88Å; H336-D401 PolarHBondContact NE2-OD2 2.94Å; H336-H454 PolarHBondContact CE1-O 3Å; H336-K456 WeakPolarHBondContact CE1-CA 3.38Å; H336-K456 PolarHBondContact CE1-N 3.23Å |
| 337 | M | 88 | Confident | 81.7 | Confident | 81 Ų | 81 | 59.8 Ų | 59.8 | 40% | 0.399 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -57.8 | -39.5 | 176.2 | -73.7 | -179.8 | 175.4 | 0 | 0 | 111.6 | M333 D334 V340 A341 I397 | M333-M337 HydrophobicContact CG-CE 3.6Å; M333-M337 HydrophobicContact CG-CG 4.37Å; M333-M337 HydrophobicContact CG-SD 4.12Å; M333-M337 WeakPolarHBondContact O-CB 3.36Å; M333-M337 VanDerWaalsContact O-CG 3.27Å; M333-M337 WeakPolarHBondContact O-CG 3.42Å; M333-M337 PolarHBondContact O-N 2.71Å; M333-M337 HydrophobicContact SD-CE 3.93Å; D334-M337 PolarHBondContact O-N 3.39Å; M337-V340 PolarHBondContact O-N 2.85Å; M337-A341 WeakPolarHBondContact O-CB 3.48Å; M337-A341 PolarHBondContact O-N 3.23Å; M337-I397 HydrophobicContact CB-CD1 4.18Å; M337-I397 HydrophobicContact CG-CD1 4.33Å |
| 338 | Q | 85.6 | Confident | 79.8 | Confident | 114 Ų | 114 | 61 Ų | 61 | 53% | 0.533 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -63.3 | -40.5 | 174.1 | -75.7 | 172.3 | 21.7 | 0 | 0 | 112.6 | D334 L335 H336 N342 | D334-Q338 WeakPolarHBondContact O-CB 3.49Å; D334-Q338 WeakPolarHBondContact O-CG 3.44Å; D334-Q338 PolarHBondContact O-N 3.06Å; L335-Q338 PolarHBondContact O-N 2.94Å; H336-Q338 VanDerWaalsContact C-N 3.26Å; H336-Q338 PolarHBondContact O-N 3Å; Q338-N342 WeakPolarHBondContact O-CB 3.29Å; Q338-N342 PolarHBondContact O-N 3.19Å; Q338-N342 PolarHBondContact O-ND2 2.69Å |
| 339 | K | 85.8 | Confident | 77.7 | Confident | 99 Ų | 99 | 58.8 Ų | 58.8 | 43% | 0.43 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -63.1 | -49.4 | 175.7 | -73.1 | 177.6 | 177.5 | -175.9 | 0 | 111.6 | L335 H336 A341 N342 L343 | L335-K339 WeakPolarHBondContact O-CG 3.28Å; L335-K339 PolarHBondContact O-N 3.02Å; L335-K339 VanDerWaalsContact O-N 3.1Å; H336-K339 WeakPolarHBondContact O-CB 3.37Å; H336-K339 PolarHBondContact O-N 3.17Å; K339-A341 VanDerWaalsContact C-N 3.35Å; K339-N342 PolarHBondContact O-N 3.46Å; K339-L343 PolarHBondContact O-N 3.11Å |
| 340 | V | 85.4 | Confident | 75.5 | Confident | 1 Ų | 1 | 61.1 Ų | 61.1 | 1% | 0.006 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -66.8 | -38.6 | 179.3 | -175.8 | 0 | 0 | 0 | 0 | 110.9 | H336 M337 N342 L343 Q344 I397 V400 D401 | H336-V340 PolarHBondContact O-N 2.93Å; M337-V340 PolarHBondContact O-N 2.85Å; V340-N342 VanDerWaalsContact C-N 3.34Å; V340-N342 PolarHBondContact O-N 3.02Å; V340-L343 WeakPolarHBondContact O-CB 3.39Å; V340-L343 PolarHBondContact O-N 3.4Å; V340-Q344 WeakPolarHBondContact O-CG 3.21Å; V340-Q344 PolarHBondContact O-N 3.04Å; V340-I397 HydrophobicContact CB-CG1 4.46Å; V340-I397 HydrophobicContact CB-CG2 3.97Å; V340-I397 HydrophobicContact CG1-CB 4.43Å; V340-I397 HydrophobicContact CG1-CG1 4.13Å; V340-I397 HydrophobicContact CG1-CG2 3.93Å; V340-I397 HydrophobicContact CG2-CG2 4.27Å; V340-V400 HydrophobicContact CG1-CG2 4.14Å; V340-D401 HydrophobicContact CG2-CB 4.03Å |
| 341 | A | 81.9 | Confident | 73.2 | Confident | 20 Ų | 20 | 59.8 Ų | 59.8 | 17% | 0.165 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.7 | -38.8 | 174 | 0 | 0 | 0 | 0 | 0 | 111.9 | M337 K339 Q344 R345 I397 | M337-A341 WeakPolarHBondContact O-CB 3.48Å; M337-A341 PolarHBondContact O-N 3.23Å; K339-A341 VanDerWaalsContact C-N 3.35Å; A341-Q344 CarbonylContact O-C 3.44Å; A341-Q344 PolarHBondContact O-N 3.13Å; A341-R345 WeakPolarHBondContact O-CB 3.49Å; A341-R345 VanDerWaalsContact O-CG 3.23Å; A341-R345 WeakPolarHBondContact O-CG 3.37Å; A341-R345 PolarHBondContact O-N 2.9Å; A341-I397 HydrophobicContact CB-CD1 4.46Å |
| 342 | N | 79.2 | Confident | 70.7 | Confident | 77 Ų | 77 | 59.1 Ų | 59.1 | 41% | 0.412 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -65.7 | -40 | 173.4 | -72.7 | -16.6 | 0 | 0 | 0 | 111.4 | Q338 K339 V340 Q344 R345 V346 | Q338-N342 WeakPolarHBondContact O-CB 3.29Å; Q338-N342 PolarHBondContact O-N 3.19Å; Q338-N342 PolarHBondContact O-ND2 2.69Å; K339-N342 PolarHBondContact O-N 3.46Å; V340-N342 VanDerWaalsContact C-N 3.34Å; V340-N342 PolarHBondContact O-N 3.02Å; N342-Q344 VanDerWaalsContact C-N 3.32Å; N342-Q344 PolarHBondContact O-N 3.29Å; N342-R345 PolarHBondContact O-N 3.18Å; N342-R345 VanDerWaalsContact O-N 3.17Å; N342-V346 WeakPolarHBondContact O-CB 3.46Å; N342-V346 WeakPolarHBondContact O-CG2 3.21Å; N342-V346 PolarHBondContact O-N 2.92Å |
| 343 | L | 82.8 | Confident | 68.2 | Low | 1 Ų | 1 | 62.9 Ų | 62.9 | 1% | 0.005 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.7 | -39.8 | 171.6 | 179.8 | 60.7 | 0 | 0 | 0 | 112 | K339 V340 N347 F392 F410 L421 L425 L450 H454 | K339-L343 PolarHBondContact O-N 3.11Å; V340-L343 WeakPolarHBondContact O-CB 3.39Å; V340-L343 PolarHBondContact O-N 3.4Å; L343-N347 PolarHBondContact O-ND2 3.42Å; L343-F392 HydrophobicContact CD2-CE1 4.19Å; L343-F392 HydrophobicContact CD2-CZ 3.7Å; L343-F392 HydrophobicContact CG-CE1 3.96Å; L343-F392 HydrophobicContact CG-CZ 4Å; L343-F410 HydrophobicContact CD1-CE1 4.32Å; L343-F410 HydrophobicContact CD1-CZ 3.93Å; L343-F410 HydrophobicContact CD2-CE2 4.09Å; L343-F410 HydrophobicContact CD2-CZ 3.94Å; L343-F410 HydrophobicContact CG-CZ 4.04Å; L343-L421 HydrophobicContact CD1-CD1 4.4Å; L343-L421 HydrophobicContact CD1-CD2 4.45Å; L343-L425 HydrophobicContact CD1-CD1 3.64Å; L343-L425 HydrophobicContact CD1-CD2 4.26Å; L343-L450 HydrophobicContact CD1-CD1 3.86Å; L343-H454 HydrophobicContact CD2-CB 3.98Å |
| 344 | Q | 78.1 | Confident | 66.2 | Low | 25 Ų | 25 | 63.5 Ų | 63.5 | 12% | 0.117 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -68 | -39.3 | 172.7 | -70.9 | -179.3 | -39.5 | 0 | 0 | 111.9 | V340 A341 N342 N347 N348 F392 R395 | V340-Q344 WeakPolarHBondContact O-CG 3.21Å; V340-Q344 PolarHBondContact O-N 3.04Å; A341-Q344 CarbonylContact O-C 3.44Å; A341-Q344 PolarHBondContact O-N 3.13Å; N342-Q344 VanDerWaalsContact C-N 3.32Å; N342-Q344 PolarHBondContact O-N 3.29Å; Q344-N347 CarbonylContact O-C 3.59Å; Q344-N347 WeakPolarHBondContact O-CA 3.44Å; Q344-N347 WeakPolarHBondContact O-CB 3.44Å; Q344-N347 PolarHBondContact O-N 3.23Å; Q344-N347 VanDerWaalsContact O-N 3.13Å; Q344-N348 WeakPolarHBondContact O-CB 3.41Å; Q344-N348 PolarHBondContact O-N 3.31Å; Q344-F392 HydrophobicContact CG-CD1 4.31Å; Q344-F392 HydrophobicContact CG-CE1 3.72Å; Q344-F392 HydrophobicContact CG-CZ 4.37Å; Q344-F392 PolarHBondContact NE2-O 3.1Å; Q344-R395 PolarHBondContact NE2-O 3Å |
| 345 | R | 69.4 | Low | 64.2 | Low | 101 Ų | 101 | 69 Ų | 69 | 38% | 0.381 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -74.3 | -37.1 | -177.8 | -77 | 173.3 | -175 | 172.1 | 0.1 | 114.7 | A341 N342 N347 N348 C349 | A341-R345 WeakPolarHBondContact O-CB 3.49Å; A341-R345 VanDerWaalsContact O-CG 3.23Å; A341-R345 WeakPolarHBondContact O-CG 3.37Å; A341-R345 PolarHBondContact O-N 2.9Å; N342-R345 PolarHBondContact O-N 3.18Å; N342-R345 VanDerWaalsContact O-N 3.17Å; R345-N347 PolarHBondContact O-N 3.32Å; R345-N347 VanDerWaalsContact O-N 3.08Å; R345-N348 PolarHBondContact O-N 3.39Å; R345-C349 PolarHBondContact O-N 3.47Å |
| 346 | V | 60.9 | Low | 62.1 | Low | 23 Ų | 23 | 71.1 Ų | 71.1 | 14% | 0.139 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -15.3 | 167.5 | 169.5 | 0 | 0 | 0 | 0 | 110.7 | N342 A381 L421 M424 L425 | N342-V346 WeakPolarHBondContact O-CB 3.46Å; N342-V346 WeakPolarHBondContact O-CG2 3.21Å; N342-V346 PolarHBondContact O-N 2.92Å; V346-A381 VanDerWaalsContact C-CB 3.42Å; V346-A381 CarbonylContact O-C 3.54Å; V346-A381 WeakPolarHBondContact O-CB 3.12Å; V346-L421 HydrophobicContact CG1-CD1 3.84Å; V346-M424 HydrophobicContact CG1-CB 3.64Å; V346-M424 HydrophobicContact CG1-CE 3.81Å; V346-M424 HydrophobicContact CG1-SD 4.19Å; V346-L425 HydrophobicContact CB-CD2 4.08Å; V346-L425 HydrophobicContact CG1-CD2 4.33Å; V346-L425 HydrophobicContact CG1-CG 4.42Å; V346-L425 HydrophobicContact CG2-CD2 3.76Å |
| 347 | N | 49.7 | Very low | 60.2 | Low | 7 Ų | 7 | 75.4 Ų | 75.4 | 4% | 0.037 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | -9.3 | 168.9 | -67.2 | -55.2 | 0 | 0 | 0 | 114.5 | L343 Q344 R345 F382 F385 | L343-N347 PolarHBondContact O-ND2 3.42Å; Q344-N347 CarbonylContact O-C 3.59Å; Q344-N347 WeakPolarHBondContact O-CA 3.44Å; Q344-N347 WeakPolarHBondContact O-CB 3.44Å; Q344-N347 PolarHBondContact O-N 3.23Å; Q344-N347 VanDerWaalsContact O-N 3.13Å; R345-N347 PolarHBondContact O-N 3.32Å; R345-N347 VanDerWaalsContact O-N 3.08Å; N347-F382 WeakPolarHBondContact O-CD2 3.34Å; N347-F385 WeakPolarHBondContact OD1-CD2 3.42Å |
| 348 | N | 48.6 | Very low | 58.3 | Low | 58 Ų | 58 | 77.6 Ų | 77.6 | 31% | 0.31 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.7 | -3.8 | -163.9 | -120.3 | -24.2 | 0 | 0 | 0 | 117.9 | Q344 R345 F350 | Q344-N348 WeakPolarHBondContact O-CB 3.41Å; Q344-N348 PolarHBondContact O-N 3.31Å; R345-N348 PolarHBondContact O-N 3.39Å; N348-F350 PolarHBondContact O-N 2.87Å |
| 349 | C | 40.3 | Very low | 56.5 | Low | 32 Ų | 32 | 74.5 Ų | 74.5 | 22% | 0.216 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -78.2 | 93 | -177.9 | -68.8 | 0 | 0 | 0 | 0 | 112.5 | R345 A381 F382 | R345-C349 PolarHBondContact O-N 3.47Å; C349-A381 HydrophobicContact CB-CB 4.27Å; C349-F382 VanDerWaalsContact C-CB 3.4Å; C349-F382 WeakPolarHBondContact O-CB 3.4Å; C349-F382 PolarHBondContact O-N 3.24Å |
| 350 | F | 35.6 | Very low | 54.6 | Low | 128 Ų | 128 | 70.6 Ų | 70.6 | 56% | 0.561 | 37% | 0.366 | S | S | * | . | S | Bend | 157.7 | 8.2 | 123.4 | -134.2 | -97.9 | 0 | 0 | 0 | 117.3 | N348 N379 | N348-F350 PolarHBondContact O-N 2.87Å; F350-N379 HydrophobicContact CD2-CB 3.97Å; F350-N379 HydrophobicContact CE2-CB 4.08Å | |
| 351 | W | 36.6 | Very low | 52.6 | Low | 123 Ų | 123 | 78.8 Ų | 78.8 | 47% | 0.466 | 40% | 0.397 | S | S | . | . | trans | -96 | -12 | -172.4 | -115.4 | 86.6 | 0 | 0 | 0 | 118.8 | L353 Y355 F382 | W351-L353 VanDerWaalsContact C-N 3.26Å; W351-L353 PolarHBondContact O-N 3.43Å; W351-Y355 AromaticContact CH2-CD2 3.92Å; W351-Y355 HydrophobicContact CH2-CD2 3.92Å; W351-Y355 HydrophobicContact CH2-CE2 4.02Å; W351-Y355 AromaticContact CZ3-CD2 3.56Å; W351-Y355 HydrophobicContact CZ3-CD2 3.56Å; W351-Y355 HydrophobicContact CZ3-CE2 4.15Å; W351-Y355 HydrophobicContact CZ3-CG 4.45Å; W351-F382 HydrophobicContact CB-CD1 4.21Å; W351-F382 HydrophobicContact CB-CE1 3.78Å; W351-F382 HydrophobicContact CB-CZ 3.98Å; W351-F382 AromaticContact CD1-CD1 3.72Å; W351-F382 AromaticContact CD1-CE1 3.44Å; W351-F382 VanDerWaalsContact CD1-CE1 3.44Å; W351-F382 HydrophobicContact CG-CD1 4.29Å; W351-F382 AromaticContact CG-CE1 3.76Å; W351-F382 HydrophobicContact CG-CE1 3.76Å; W351-F382 HydrophobicContact CG-CZ 4.33Å | ||
| 352 | V | 36.9 | Very low | 50.9 | Low | 76 Ų | 76 | 85.4 Ų | 85.4 | 46% | 0.461 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -9.7 | -174.2 | -179.7 | 0 | 0 | 0 | 0 | 113.8 | A360 | V352-A360 HydrophobicContact CG1-CB 4.4Š|
| 353 | L | 36.1 | Very low | 49.3 | Very low | 124 Ų | 124 | 87.6 Ų | 87.6 | 65% | 0.649 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | -13.6 | -178.2 | -76.5 | 170.1 | 0 | 0 | 0 | 115.4 | W351 F364 | W351-L353 VanDerWaalsContact C-N 3.26Å; W351-L353 PolarHBondContact O-N 3.43Å; L353-F364 HydrophobicContact CD2-CE2 4.46Å |
| 354 | S | 44.4 | Very low | 47.3 | Very low | 77 Ų | 77 | 92.7 Ų | 92.7 | 54% | 0.538 | 45% | 0.45 | S | S | . | . | S | Bend | trans | -99 | -15.4 | -166.7 | -58.9 | 0 | 0 | 0 | 0 | 116.3 | ||
| 355 | Y | 47.4 | Very low | 45.6 | Very low | 182 Ų | 182 | 94.6 Ų | 94.6 | 71% | 0.714 | 46% | 0.464 | S | S | * | . | S | Bend | trans | -139.9 | 0.7 | -167.8 | -86.9 | -82.7 | 0 | 0 | 0 | 118.9 | W351 | W351-Y355 AromaticContact CH2-CD2 3.92Å; W351-Y355 HydrophobicContact CH2-CD2 3.92Å; W351-Y355 HydrophobicContact CH2-CE2 4.02Å; W351-Y355 AromaticContact CZ3-CD2 3.56Å; W351-Y355 HydrophobicContact CZ3-CD2 3.56Å; W351-Y355 HydrophobicContact CZ3-CE2 4.15Å; W351-Y355 HydrophobicContact CZ3-CG 4.45Å |
| 356 | H | 41.4 | Very low | 44.5 | Very low | 122 Ų | 122 | 93.8 Ų | 93.8 | 57% | 0.565 | 47% | 0.474 | S | S | * | . | trans | -155.4 | 102.2 | 172.3 | -130.9 | -82.8 | 0 | 0 | 0 | 114.4 | L358 A359 A360 | H356-L358 VanDerWaalsContact C-N 3.3Å; H356-L358 PolarHBondContact O-N 3.25Å; H356-A359 HydrophobicContact CB-CB 3.96Å; H356-A359 PolarHBondContact O-N 3.45Å; H356-A360 WeakPolarHBondContact O-CB 3.49Å; H356-A360 PolarHBondContact O-N 3.46Å | ||
| 357 | P | 48.9 | Very low | 43.5 | Very low | 113 Ų | 113 | 96.5 Ų | 96.5 | 73% | 0.734 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -58.1 | -36.8 | -178.3 | -23.5 | 31.6 | 0 | 0 | 0 | 114 | W361 | P357-W361 PolarHBondContact O-N 3.32Å; P357-W361 VanDerWaalsContact O-N 3.09Å |
| 358 | L | 48.8 | Very low | 43.1 | Very low | 126 Ų | 126 | 103.6 Ų | 103.6 | 66% | 0.66 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -77.3 | -36.2 | -178.2 | -76.8 | 165.2 | 0 | 0 | 0 | 113.4 | H356 W361 F362 | H356-L358 VanDerWaalsContact C-N 3.3Å; H356-L358 PolarHBondContact O-N 3.25Å; L358-W361 PolarHBondContact O-N 2.88Å; L358-F362 PolarHBondContact O-N 3.46Å |
| 359 | A | 48.6 | Very low | 42.5 | Very low | 50 Ų | 50 | 107.4 Ų | 107.4 | 41% | 0.413 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -71.6 | -38.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | H356 W361 F362 F363 | H356-A359 HydrophobicContact CB-CB 3.96Å; H356-A359 PolarHBondContact O-N 3.45Å; A359-W361 VanDerWaalsContact C-N 3.3Å; A359-W361 PolarHBondContact O-N 3.04Å; A359-F362 PolarHBondContact O-N 3.25Å; A359-F363 VanDerWaalsContact O-CB 3.32Å; A359-F363 WeakPolarHBondContact O-CB 3.26Å; A359-F363 PolarHBondContact O-N 2.96Å |
| 360 | A | 44.9 | Very low | 42.4 | Very low | 16 Ų | 16 | 113.6 Ų | 113.6 | 13% | 0.132 | 56% | 0.562 | C | S | . | * | H | α-helix | trans | -58.9 | -39.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | V352 H356 F364 | V352-A360 HydrophobicContact CG1-CB 4.4Å; H356-A360 WeakPolarHBondContact O-CB 3.49Å; H356-A360 PolarHBondContact O-N 3.46Å; A360-F364 WeakPolarHBondContact O-CA 3.3Å; A360-F364 WeakPolarHBondContact O-CB 3.41Å; A360-F364 PolarHBondContact O-N 2.89Å |
| 361 | W | 43.3 | Very low | 42.1 | Very low | 173 Ų | 173 | 113.1 Ų | 113.1 | 66% | 0.655 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -69.5 | -45.8 | 178.2 | -159.7 | 72.6 | 0 | 0 | 0 | 112.9 | P357 L358 A359 F363 F364 V365 | P357-W361 PolarHBondContact O-N 3.32Å; P357-W361 VanDerWaalsContact O-N 3.09Å; L358-W361 PolarHBondContact O-N 2.88Å; A359-W361 VanDerWaalsContact C-N 3.3Å; A359-W361 PolarHBondContact O-N 3.04Å; W361-F363 VanDerWaalsContact C-N 3.32Å; W361-F363 PolarHBondContact O-N 2.97Å; W361-F364 PolarHBondContact O-N 3.4Å; W361-V365 HydrophobicContact CD2-CG2 4.3Å; W361-V365 HydrophobicContact CE3-CG2 4.46Å; W361-V365 VanDerWaalsContact O-CG2 3.3Å; W361-V365 WeakPolarHBondContact O-CG2 3.33Å; W361-V365 PolarHBondContact O-N 3.36Å |
| 362 | F | 46 | Very low | 42 | Very low | 159 Ų | 159 | 110 Ų | 110 | 70% | 0.697 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -61.8 | -39.9 | 174.2 | -98.8 | -84.5 | 0 | 0 | 0 | 112.2 | L358 A359 S366 | L358-F362 PolarHBondContact O-N 3.46Å; A359-F362 PolarHBondContact O-N 3.25Å; F362-S366 PolarHBondContact O-N 2.95Å |
| 363 | F | 46.3 | Very low | 41.7 | Very low | 124 Ų | 124 | 116.7 Ų | 116.7 | 54% | 0.544 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -71.1 | -37 | 175.8 | -130.4 | -96.5 | 0 | 0 | 0 | 112.1 | A359 W361 S366 L367 | A359-F363 VanDerWaalsContact O-CB 3.32Å; A359-F363 WeakPolarHBondContact O-CB 3.26Å; A359-F363 PolarHBondContact O-N 2.96Å; W361-F363 VanDerWaalsContact C-N 3.32Å; W361-F363 PolarHBondContact O-N 2.97Å; F363-S366 PolarHBondContact O-N 2.92Å; F363-L367 HydrophobicContact CD1-CD1 3.83Å; F363-L367 HydrophobicContact CE1-CD1 4.34Å; F363-L367 WeakPolarHBondContact O-CB 3.29Å; F363-L367 PolarHBondContact O-N 3.28Å |
| 364 | F | 41 | Very low | 41.7 | Very low | 107 Ų | 107 | 117.8 Ų | 117.8 | 47% | 0.469 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -62.8 | -45.2 | 174.2 | -115.5 | -102.9 | 0 | 0 | 0 | 111 | L353 A360 W361 S366 L367 F368 | L353-F364 HydrophobicContact CD2-CE2 4.46Å; A360-F364 WeakPolarHBondContact O-CA 3.3Å; A360-F364 WeakPolarHBondContact O-CB 3.41Å; A360-F364 PolarHBondContact O-N 2.89Å; W361-F364 PolarHBondContact O-N 3.4Å; F364-S366 VanDerWaalsContact C-N 3.27Å; F364-S366 PolarHBondContact O-N 2.85Å; F364-L367 CarbonylContact O-C 3.47Å; F364-L367 PolarHBondContact O-N 3.47Å; F364-L367 VanDerWaalsContact O-N 3.15Å; F364-F368 AromaticContact CD1-CD2 3.66Å; F364-F368 HydrophobicContact CD1-CD2 3.66Å; F364-F368 AromaticContact CD1-CE2 3.89Å; F364-F368 HydrophobicContact CD1-CE2 3.89Å; F364-F368 AromaticContact CE1-CD2 3.95Å; F364-F368 HydrophobicContact CE1-CD2 3.95Å; F364-F368 AromaticContact CE1-CE2 3.72Å; F364-F368 HydrophobicContact CE1-CE2 3.72Å; F364-F368 WeakPolarHBondContact O-CB 3.39Å; F364-F368 PolarHBondContact O-N 2.67Å |
| 365 | V | 43 | Very low | 41 | Very low | 66 Ų | 66 | 119.3 Ų | 119.3 | 40% | 0.4 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -63.1 | -37.6 | 178.1 | 173 | 0 | 0 | 0 | 0 | 110.5 | W361 L367 N369 | W361-V365 HydrophobicContact CD2-CG2 4.3Å; W361-V365 HydrophobicContact CE3-CG2 4.46Å; W361-V365 VanDerWaalsContact O-CG2 3.3Å; W361-V365 WeakPolarHBondContact O-CG2 3.33Å; W361-V365 PolarHBondContact O-N 3.36Å; V365-L367 VanDerWaalsContact C-N 3.34Å; V365-L367 PolarHBondContact O-N 2.78Å; V365-N369 PolarHBondContact O-N 2.99Å |
| 366 | S | 45.8 | Very low | 40.4 | Very low | 84 Ų | 84 | 117 Ų | 117 | 59% | 0.587 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -69.1 | -29 | 175.7 | -155.4 | 0 | 0 | 0 | 0 | 113.5 | F362 F363 F364 | F362-S366 PolarHBondContact O-N 2.95Å; F363-S366 PolarHBondContact O-N 2.92Å; F364-S366 VanDerWaalsContact C-N 3.27Å; F364-S366 PolarHBondContact O-N 2.85Å |
| 367 | L | 40.7 | Very low | 40 | Very low | 80 Ų | 80 | 115.1 Ų | 115.1 | 42% | 0.419 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -87.8 | -35.1 | 177.4 | -83.2 | 160.4 | 0 | 0 | 0 | 113.5 | F363 F364 V365 N369 F370 | F363-L367 HydrophobicContact CD1-CD1 3.83Å; F363-L367 HydrophobicContact CE1-CD1 4.34Å; F363-L367 WeakPolarHBondContact O-CB 3.29Å; F363-L367 PolarHBondContact O-N 3.28Å; F364-L367 CarbonylContact O-C 3.47Å; F364-L367 PolarHBondContact O-N 3.47Å; F364-L367 VanDerWaalsContact O-N 3.15Å; V365-L367 VanDerWaalsContact C-N 3.34Å; V365-L367 PolarHBondContact O-N 2.78Å; L367-N369 VanDerWaalsContact C-N 3.3Å; L367-N369 PolarHBondContact O-N 3.4Å; L367-F370 PolarHBondContact O-N 3.32Å; L367-F370 VanDerWaalsContact O-N 3.09Å |
| 368 | F | 39.8 | Very low | 39.1 | Very low | 156 Ų | 156 | 116.4 Ų | 116.4 | 68% | 0.684 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -70.3 | -27.2 | -179.7 | -118.5 | -94 | 0 | 0 | 0 | 112.6 | F364 F370 | F364-F368 AromaticContact CD1-CD2 3.66Å; F364-F368 HydrophobicContact CD1-CD2 3.66Å; F364-F368 AromaticContact CD1-CE2 3.89Å; F364-F368 HydrophobicContact CD1-CE2 3.89Å; F364-F368 AromaticContact CE1-CD2 3.95Å; F364-F368 HydrophobicContact CE1-CD2 3.95Å; F364-F368 AromaticContact CE1-CE2 3.72Å; F364-F368 HydrophobicContact CE1-CE2 3.72Å; F364-F368 WeakPolarHBondContact O-CB 3.39Å; F364-F368 PolarHBondContact O-N 2.67Å; F368-F370 PolarHBondContact O-N 3.28Å |
| 369 | N | 37.5 | Very low | 38.6 | Very low | 138 Ų | 138 | 114 Ų | 114 | 74% | 0.738 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.9 | -8.5 | 171.8 | -81 | -20.1 | 0 | 0 | 0 | 113.2 | V365 L367 | V365-N369 PolarHBondContact O-N 2.99Å; L367-N369 VanDerWaalsContact C-N 3.3Å; L367-N369 PolarHBondContact O-N 3.4Å |
| 370 | F | 37.8 | Very low | 38 | Very low | 162 Ų | 162 | 116.6 Ų | 116.6 | 71% | 0.711 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -97.1 | 93.9 | 167.3 | -87.4 | -89.6 | 0 | 0 | 0 | 110.5 | L367 F368 G372 | L367-F370 PolarHBondContact O-N 3.32Å; L367-F370 VanDerWaalsContact O-N 3.09Å; F368-F370 PolarHBondContact O-N 3.28Å; F370-G372 PolarHBondContact O-N 3.47Å |
| 371 | S | 29.9 | Very low | 37.8 | Very low | 118 Ų | 118 | 116.1 Ų | 116.1 | 83% | 0.825 | 62% | 0.617 | S | S | * | * | trans | -47.1 | 125.7 | 175.4 | 55.9 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 372 | G | 33.6 | Very low | 38 | Very low | 58 Ų | 58 | 108.9 Ų | 108.9 | 60% | 0.598 | 59% | 0.59 | S | S | * | * | trans | 144.7 | 122.8 | 159.5 | 0 | 0 | 0 | 0 | 0 | 115 | F370 F374 | F370-G372 PolarHBondContact O-N 3.47Å; G372-F374 PolarHBondContact O-N 3.44Å | ||
| 373 | K | 31.4 | Very low | 38.2 | Very low | 216 Ų | 216 | 105.5 Ų | 105.5 | 94% | 0.939 | 59% | 0.586 | S | S | * | * | P | Polyproline II helix | trans | -46.1 | 117.6 | 179.1 | -65.6 | 172.8 | 176.6 | 176.4 | 0 | 112.8 | ||
| 374 | F | 35.3 | Very low | 38.8 | Very low | 147 Ų | 147 | 103.6 Ų | 103.6 | 65% | 0.645 | 58% | 0.578 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 123.6 | 171 | -84 | -91.2 | 0 | 0 | 0 | 111.1 | G372 | G372-F374 PolarHBondContact O-N 3.44Š|
| 375 | P | 30 | Very low | 40.1 | Very low | 108 Ų | 108 | 98.9 Ų | 98.9 | 70% | 0.701 | 56% | 0.558 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 130 | 165 | -6.3 | 23.2 | 0 | 0 | 0 | 109.6 | A377 | P375-A377 PolarHBondContact O-N 3.18Š|
| 376 | T | 34.1 | Very low | 40.9 | Very low | 135 Ų | 135 | 101 Ų | 101 | 83% | 0.828 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73 | 15.9 | -167 | 41.6 | 0 | 0 | 0 | 0 | 116.5 | ||
| 377 | A | 33.8 | Very low | 42 | Very low | 82 Ų | 82 | 103.8 Ų | 103.8 | 68% | 0.678 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.5 | -18.5 | -169 | 0 | 0 | 0 | 0 | 0 | 116.7 | P375 N379 | P375-A377 PolarHBondContact O-N 3.18Å; A377-N379 PolarHBondContact O-N 3.25Å |
| 378 | D | 30.6 | Very low | 43.5 | Very low | 139 Ų | 139 | 103.9 Ų | 103.9 | 74% | 0.743 | 57% | 0.565 | S | S | * | * | trans | -99.8 | 28.9 | -170.4 | -64.2 | -26.4 | 0 | 0 | 0 | 115 | V380 | D378-V380 PolarHBondContact O-N 2.91Š| ||
| 379 | N | 38.1 | Very low | 45.3 | Very low | 75 Ų | 75 | 96.5 Ų | 96.5 | 40% | 0.401 | 53% | 0.533 | S | S | . | . | trans | -87.7 | 16.7 | -169.6 | -89.1 | -27 | 0 | 0 | 0 | 116.6 | F350 A377 | F350-N379 HydrophobicContact CD2-CB 3.97Å; F350-N379 HydrophobicContact CE2-CB 4.08Å; A377-N379 PolarHBondContact O-N 3.25Å | ||
| 380 | V | 36 | Very low | 47 | Very low | 105 Ų | 105 | 96 Ų | 96 | 64% | 0.636 | 52% | 0.524 | S | S | * | . | trans | -89.6 | -0 | -169.4 | -175.7 | 0 | 0 | 0 | 0 | 114.4 | D378 F382 | D378-V380 PolarHBondContact O-N 2.91Å; V380-F382 PolarHBondContact O-N 2.92Å | ||
| 381 | A | 40.7 | Very low | 48.9 | Very low | 6 Ų | 6 | 93.8 Ų | 93.8 | 5% | 0.05 | 52% | 0.516 | C | S | . | . | G | 310 helix | trans | -82 | -21.6 | -154.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | V346 C349 S383 M424 | V346-A381 VanDerWaalsContact C-CB 3.42Å; V346-A381 CarbonylContact O-C 3.54Å; V346-A381 WeakPolarHBondContact O-CB 3.12Å; C349-A381 HydrophobicContact CB-CB 4.27Å; A381-S383 VanDerWaalsContact C-N 3.3Å; A381-S383 PolarHBondContact O-N 3.24Å; A381-M424 HydrophobicContact CB-CE 3.56Å |
| 382 | F | 46.5 | Very low | 51.3 | Low | 22 Ų | 22 | 88.1 Ų | 88.1 | 10% | 0.096 | 48% | 0.477 | C | S | . | . | G | 310 helix | trans | -73.7 | -13 | -180 | -172.6 | -97.7 | 0 | 0 | 0 | 114.6 | N347 C349 W351 V380 H384 R386 | N347-F382 WeakPolarHBondContact O-CD2 3.34Å; C349-F382 VanDerWaalsContact C-CB 3.4Å; C349-F382 WeakPolarHBondContact O-CB 3.4Å; C349-F382 PolarHBondContact O-N 3.24Å; W351-F382 HydrophobicContact CB-CD1 4.21Å; W351-F382 HydrophobicContact CB-CE1 3.78Å; W351-F382 HydrophobicContact CB-CZ 3.98Å; W351-F382 AromaticContact CD1-CD1 3.72Å; W351-F382 AromaticContact CD1-CE1 3.44Å; W351-F382 VanDerWaalsContact CD1-CE1 3.44Å; W351-F382 HydrophobicContact CG-CD1 4.29Å; W351-F382 AromaticContact CG-CE1 3.76Å; W351-F382 HydrophobicContact CG-CE1 3.76Å; W351-F382 HydrophobicContact CG-CZ 4.33Å; V380-F382 PolarHBondContact O-N 2.92Å; F382-H384 PolarHBondContact O-N 2.97Å; F382-R386 HydrophobicContact CE1-CG 3.9Å; F382-R386 HydrophobicContact CZ-CG 3.78Å |
| 383 | S | 49.8 | Very low | 53.2 | Low | 87 Ų | 87 | 86.7 Ų | 86.7 | 61% | 0.608 | 45% | 0.453 | S | S | * | . | G | 310 helix | trans | -76.6 | -15.9 | -168.3 | 79.5 | 0 | 0 | 0 | 0 | 115.4 | A381 | A381-S383 VanDerWaalsContact C-N 3.3Å; A381-S383 PolarHBondContact O-N 3.24Å |
| 384 | H | 60.1 | Low | 55.4 | Low | 84 Ų | 84 | 82.5 Ų | 82.5 | 39% | 0.389 | 44% | 0.44 | S | S | . | . | S | Bend | trans | -103.7 | -26.5 | -164.2 | -68.7 | -68.1 | 0 | 0 | 0 | 117.1 | F382 H420 | F382-H384 PolarHBondContact O-N 2.97Å; H384-H420 AromaticContact CD2-CD2 3.84Å; H384-H420 AromaticContact CD2-NE2 3.15Å; H384-H420 PolarHBondContact CD2-NE2 3.03Å; H384-H420 AromaticContact CE1-NE2 3.59Å; H384-H420 AromaticContact CG-CD2 3.8Å; H384-H420 AromaticContact CG-NE2 3.52Å; H384-H420 AromaticContact ND1-NE2 3.78Å; H384-H420 AromaticContact NE2-CE1 3.96Å; H384-H420 AromaticContact NE2-NE2 3.19Å; H384-H420 PolarHBondContact NE2-NE2 3.44Å; H384-H420 VanDerWaalsContact NE2-NE2 3.19Å |
| 385 | F | 67.3 | Low | 57.7 | Low | 8 Ų | 8 | 80.9 Ų | 80.9 | 4% | 0.035 | 43% | 0.43 | C | S | . | . | S | Bend | trans | -133.4 | 28.4 | -169.7 | -51.7 | -68.3 | 0 | 0 | 0 | 114.3 | N347 D387 E388 L389 L413 Q417 H420 L421 M424 | N347-F385 WeakPolarHBondContact OD1-CD2 3.42Å; F385-D387 PolarHBondContact O-N 3.45Å; F385-E388 WeakPolarHBondContact CA-OE2 3.24Å; F385-L389 HydrophobicContact CB-CD1 3.94Å; F385-L389 HydrophobicContact CB-CG 4.32Å; F385-L389 HydrophobicContact CG-CD1 4.44Å; F385-L389 PolarHBondContact O-N 3.07Å; F385-L413 HydrophobicContact CD1-CD2 4.05Å; F385-Q417 HydrophobicContact CD1-CB 4.3Å; F385-Q417 HydrophobicContact CD1-CG 4.36Å; F385-Q417 HydrophobicContact CE1-CB 3.58Å; F385-Q417 HydrophobicContact CE1-CG 3.86Å; F385-Q417 WeakPolarHBondContact CE1-O 3.33Å; F385-Q417 VanDerWaalsContact CZ-O 3.24Å; F385-Q417 WeakPolarHBondContact CZ-O 3.41Å; F385-H420 HydrophobicContact CZ-CB 4.27Å; F385-H420 AromaticContact CZ-CD2 3.88Å; F385-L421 HydrophobicContact CE2-CB 3.99Å; F385-L421 HydrophobicContact CE2-CD1 4.17Å; F385-L421 HydrophobicContact CZ-CB 3.95Å; F385-M424 HydrophobicContact CE2-SD 4.46Å |
| 386 | R | 59.8 | Low | 60.3 | Low | 112 Ų | 112 | 80.1 Ų | 80.1 | 42% | 0.423 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -43.1 | -165.8 | -173.9 | -175.9 | -171.6 | -174.7 | 5.8 | 113.8 | F382 | F382-R386 HydrophobicContact CE1-CG 3.9Å; F382-R386 HydrophobicContact CZ-CG 3.78Å |
| 387 | D | 68.8 | Low | 62.7 | Low | 142 Ų | 142 | 75.4 Ų | 75.4 | 76% | 0.759 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | -32.9 | -172.8 | -67.4 | -28.6 | 0 | 0 | 0 | 111.1 | F385 | F385-D387 PolarHBondContact O-N 3.45Š|
| 388 | E | 72.6 | Confident | 65.1 | Low | 81 Ų | 81 | 75.8 Ų | 75.8 | 38% | 0.379 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -34 | -174.7 | -56.9 | 91.6 | 155.1 | 0 | 0 | 113.4 | F385 L413 Q417 | F385-E388 WeakPolarHBondContact CA-OE2 3.24Å; E388-L413 HydrophobicContact CB-CD2 3.79Å; E388-L413 HydrophobicContact CG-CD2 4.19Å; E388-Q417 PolarHBondContact OE1-NE2 2.79Å |
| 389 | L | 77.9 | Confident | 67.8 | Low | 2 Ų | 2 | 71.8 Ų | 71.8 | 1% | 0.01 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -113.5 | 16.4 | -172.4 | -63.4 | -179.7 | 0 | 0 | 0 | 114.3 | F385 E391 F392 Y393 Y409 F410 L413 | F385-L389 HydrophobicContact CB-CD1 3.94Å; F385-L389 HydrophobicContact CB-CG 4.32Å; F385-L389 HydrophobicContact CG-CD1 4.44Å; F385-L389 PolarHBondContact O-N 3.07Å; L389-E391 VanDerWaalsContact C-N 3.29Å; L389-E391 PolarHBondContact O-N 3.33Å; L389-F392 HydrophobicContact CB-CB 4.47Å; L389-F392 WeakPolarHBondContact O-CB 3.36Å; L389-F392 PolarHBondContact O-N 2.92Å; L389-Y393 WeakPolarHBondContact O-CD1 3.43Å; L389-Y393 WeakPolarHBondContact O-CE1 3.44Å; L389-Y409 WeakPolarHBondContact CD2-O 3.4Å; L389-F410 HydrophobicContact CD1-CD1 4.06Å; L389-F410 HydrophobicContact CD1-CE1 3.51Å; L389-F410 HydrophobicContact CD1-CZ 4.23Å; L389-F410 HydrophobicContact CD2-CD1 3.98Å; L389-F410 HydrophobicContact CD2-CE1 4.01Å; L389-F410 HydrophobicContact CD2-CG 4.43Å; L389-F410 HydrophobicContact CD2-CZ 4.48Å; L389-F410 HydrophobicContact CG-CE1 4.44Å; L389-L413 HydrophobicContact CD1-CD1 4.27Å; L389-L413 HydrophobicContact CG-CD2 4.47Å |
| 390 | K | 73.3 | Confident | 70.1 | Confident | 127 Ų | 127 | 68.3 Ų | 68.3 | 55% | 0.552 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -50.8 | -43.9 | -175.9 | -175.9 | 169.4 | -179.1 | -172.7 | 0 | 114.8 | Y393 L394 | K390-Y393 VanDerWaalsContact CA-CZ 3.49Å; K390-Y393 HydrophobicContact CB-CE1 4.35Å; K390-Y393 WeakPolarHBondContact CG-OH 3.43Å; K390-L394 HydrophobicContact CG-CD1 4.43Å |
| 391 | E | 77.6 | Confident | 72.6 | Confident | 115 Ų | 115 | 63.9 Ų | 63.9 | 54% | 0.537 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -71.9 | -30.6 | -179.9 | -67.2 | -162.9 | -176.6 | 0 | 0 | 113.1 | L389 R395 Y409 | L389-E391 VanDerWaalsContact C-N 3.29Å; L389-E391 PolarHBondContact O-N 3.33Å; E391-R395 WeakPolarHBondContact O-CG 3.48Å; E391-R395 IonicContact OE2-NH2 3.98Å; E391-R395 PolarHBondContact OE2-NH2 3.37Å; E391-Y409 HydrophobicContact CB-CE1 3.89Å |
| 392 | F | 81 | Confident | 75 | Confident | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -67.5 | -45.7 | -173.9 | 176.4 | -94.4 | 0 | 0 | 0 | 112 | L343 Q344 L389 L394 V400 Y409 F410 | L343-F392 HydrophobicContact CD2-CE1 4.19Å; L343-F392 HydrophobicContact CD2-CZ 3.7Å; L343-F392 HydrophobicContact CG-CE1 3.96Å; L343-F392 HydrophobicContact CG-CZ 4Å; Q344-F392 HydrophobicContact CG-CD1 4.31Å; Q344-F392 HydrophobicContact CG-CE1 3.72Å; Q344-F392 HydrophobicContact CG-CZ 4.37Å; Q344-F392 PolarHBondContact NE2-O 3.1Å; L389-F392 HydrophobicContact CB-CB 4.47Å; L389-F392 WeakPolarHBondContact O-CB 3.36Å; L389-F392 PolarHBondContact O-N 2.92Å; F392-L394 PolarHBondContact O-N 2.93Å; F392-V400 HydrophobicContact CD2-CB 3.87Å; F392-V400 HydrophobicContact CD2-CG1 4.08Å; F392-V400 HydrophobicContact CD2-CG2 4.42Å; F392-V400 HydrophobicContact CE2-CB 3.59Å; F392-V400 HydrophobicContact CE2-CG1 4.3Å; F392-V400 HydrophobicContact CE2-CG2 3.87Å; F392-V400 HydrophobicContact CZ-CB 4.42Å; F392-V400 HydrophobicContact CZ-CG2 4.21Å; F392-Y409 HydrophobicContact CB-CD1 4.1Å; F392-Y409 HydrophobicContact CB-CG 4.07Å; F392-Y409 AromaticContact CD2-CD2 3.67Å; F392-Y409 HydrophobicContact CD2-CD2 3.67Å; F392-Y409 HydrophobicContact CD2-CE2 4.39Å; F392-Y409 AromaticContact CD2-CG 3.83Å; F392-Y409 HydrophobicContact CD2-CG 3.83Å; F392-Y409 HydrophobicContact CE2-CD2 4.46Å; F392-Y409 HydrophobicContact CG-CG 4.42Å; F392-F410 HydrophobicContact CD1-CE2 4.3Å; F392-F410 AromaticContact CD1-CZ 4Å; F392-F410 HydrophobicContact CD1-CZ 4Å; F392-F410 AromaticContact CD2-CE2 3.81Å; F392-F410 HydrophobicContact CD2-CE2 3.81Å; F392-F410 HydrophobicContact CD2-CZ 4.34Å; F392-F410 HydrophobicContact CE1-CE2 4.05Å; F392-F410 AromaticContact CE1-CZ 3.78Å; F392-F410 HydrophobicContact CE1-CZ 3.78Å; F392-F410 AromaticContact CE2-CE2 3.51Å; F392-F410 HydrophobicContact CE2-CE2 3.51Å; F392-F410 HydrophobicContact CE2-CZ 4.12Å; F392-F410 HydrophobicContact CG-CE2 4.2Å; F392-F410 HydrophobicContact CG-CZ 4.28Å; F392-F410 AromaticContact CZ-CE2 3.66Å; F392-F410 HydrophobicContact CZ-CE2 3.66Å; F392-F410 AromaticContact CZ-CZ 3.85Å; F392-F410 HydrophobicContact CZ-CZ 3.85Å |
| 393 | Y | 73.6 | Confident | 77.1 | Confident | 28 Ų | 28 | 68.1 Ų | 68.1 | 11% | 0.11 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -79.8 | -13.7 | -176 | 59.2 | -108.7 | 0 | 0 | 0 | 114.6 | L389 K390 | L389-Y393 WeakPolarHBondContact O-CD1 3.43Å; L389-Y393 WeakPolarHBondContact O-CE1 3.44Å; K390-Y393 VanDerWaalsContact CA-CZ 3.49Å; K390-Y393 HydrophobicContact CB-CE1 4.35Å; K390-Y393 WeakPolarHBondContact CG-OH 3.43Å |
| 394 | L | 77.3 | Confident | 79.1 | Confident | 127 Ų | 127 | 70.3 Ų | 70.3 | 67% | 0.665 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -90 | -12.3 | 176 | -66.4 | 177.1 | 0 | 0 | 0 | 113.1 | K390 F392 | K390-L394 HydrophobicContact CG-CD1 4.43Å; F392-L394 PolarHBondContact O-N 2.93Å |
| 395 | R | 83 | Confident | 80.5 | Confident | 113 Ų | 113 | 67.6 Ų | 67.6 | 43% | 0.426 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -87.8 | 154.4 | -179.6 | -75.3 | -167.8 | -166 | -125.6 | 5.8 | 112.5 | Q344 E391 C399 V400 Y409 | Q344-R395 PolarHBondContact NE2-O 3Å; E391-R395 WeakPolarHBondContact O-CG 3.48Å; E391-R395 IonicContact OE2-NH2 3.98Å; E391-R395 PolarHBondContact OE2-NH2 3.37Å; R395-C399 HydrophobicContact CB-CB 4.48Å; R395-V400 HydrophobicContact CB-CG1 3.6Å; R395-V400 HydrophobicContact CG-CG1 4.46Å; R395-Y409 VanDerWaalsContact CD-OH 3.3Å; R395-Y409 WeakPolarHBondContact CD-OH 3.48Å; R395-Y409 PolarHBondContact NE-OH 2.88Å |
| 396 | N | 84.2 | Confident | 81.6 | Confident | 92 Ų | 92 | 67.3 Ų | 67.3 | 49% | 0.492 | 33% | 0.333 | S | S | . | . | trans | -63.5 | 152.5 | 169.7 | 69.5 | 52.1 | 0 | 0 | 0 | 110.5 | S398 C399 | N396-S398 VanDerWaalsContact C-N 3.3Å; N396-S398 PolarHBondContact O-N 3.06Å; N396-S398 PolarHBondContact OD1-N 3.3Å; N396-S398 PolarHBondContact OD1-OG 2.91Å; N396-C399 PolarHBondContact ND2-SG 3.41Å; N396-C399 PolarHBondContact O-N 3.31Å; N396-C399 VanDerWaalsContact O-N 3.14Å; N396-C399 VanDerWaalsContact OD1-CB 3.32Å; N396-C399 WeakPolarHBondContact OD1-CB 3.41Å; N396-C399 PolarHBondContact OD1-N 3.11Å; N396-C399 PolarHBondContact OD1-SG 2.88Å | ||
| 397 | I | 85.1 | Confident | 83.1 | Confident | 37 Ų | 37 | 64.4 Ų | 64.4 | 19% | 0.19 | 33% | 0.328 | C | S | . | . | G | 310 helix | trans | -56.9 | -43 | -176.4 | -69.4 | 174.4 | 0 | 0 | 0 | 111.5 | M337 V340 A341 C399 V400 D401 | M337-I397 HydrophobicContact CB-CD1 4.18Å; M337-I397 HydrophobicContact CG-CD1 4.33Å; V340-I397 HydrophobicContact CB-CG1 4.46Å; V340-I397 HydrophobicContact CB-CG2 3.97Å; V340-I397 HydrophobicContact CG1-CB 4.43Å; V340-I397 HydrophobicContact CG1-CG1 4.13Å; V340-I397 HydrophobicContact CG1-CG2 3.93Å; V340-I397 HydrophobicContact CG2-CG2 4.27Å; A341-I397 HydrophobicContact CB-CD1 4.46Å; I397-C399 PolarHBondContact O-N 3.21Å; I397-C399 VanDerWaalsContact O-N 3.12Å; I397-V400 WeakPolarHBondContact O-CG2 3.24Å; I397-V400 PolarHBondContact O-N 2.9Å; I397-D401 HydrophobicContact CG2-CB 4.25Å; I397-D401 WeakPolarHBondContact O-CB 3.41Å; I397-D401 VanDerWaalsContact O-CG 3.26Å; I397-D401 PolarHBondContact O-N 3.43Å |
| 398 | S | 84.2 | Confident | 84.2 | Confident | 89 Ų | 89 | 64.3 Ų | 64.3 | 62% | 0.622 | 32% | 0.321 | S | S | * | . | G | 310 helix | trans | -63.7 | -17.3 | -178.8 | 48.5 | 0 | 0 | 0 | 0 | 115.1 | N396 | N396-S398 VanDerWaalsContact C-N 3.3Å; N396-S398 PolarHBondContact O-N 3.06Å; N396-S398 PolarHBondContact OD1-N 3.3Å; N396-S398 PolarHBondContact OD1-OG 2.91Å |
| 399 | C | 86.4 | Confident | 84.9 | Confident | 56 Ų | 56 | 61.7 Ų | 61.7 | 38% | 0.378 | 31% | 0.308 | S | S | . | . | G | 310 helix | trans | -93.5 | -4.7 | 176.6 | -72.7 | 0 | 0 | 0 | 0 | 113.1 | R395 N396 I397 | R395-C399 HydrophobicContact CB-CB 4.48Å; N396-C399 PolarHBondContact ND2-SG 3.41Å; N396-C399 PolarHBondContact O-N 3.31Å; N396-C399 VanDerWaalsContact O-N 3.14Å; N396-C399 VanDerWaalsContact OD1-CB 3.32Å; N396-C399 WeakPolarHBondContact OD1-CB 3.41Å; N396-C399 PolarHBondContact OD1-N 3.11Å; N396-C399 PolarHBondContact OD1-SG 2.88Å; I397-C399 PolarHBondContact O-N 3.21Å; I397-C399 VanDerWaalsContact O-N 3.12Å |
| 400 | V | 86.4 | Confident | 85.5 | Confident | 1 Ų | 1 | 61.6 Ų | 61.6 | 1% | 0.006 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -132.9 | -5.9 | -171.5 | -57.7 | 0 | 0 | 0 | 0 | 114.1 | V340 F392 R395 I397 I406 Y409 | V340-V400 HydrophobicContact CG1-CG2 4.14Å; F392-V400 HydrophobicContact CD2-CB 3.87Å; F392-V400 HydrophobicContact CD2-CG1 4.08Å; F392-V400 HydrophobicContact CD2-CG2 4.42Å; F392-V400 HydrophobicContact CE2-CB 3.59Å; F392-V400 HydrophobicContact CE2-CG1 4.3Å; F392-V400 HydrophobicContact CE2-CG2 3.87Å; F392-V400 HydrophobicContact CZ-CB 4.42Å; F392-V400 HydrophobicContact CZ-CG2 4.21Å; R395-V400 HydrophobicContact CB-CG1 3.6Å; R395-V400 HydrophobicContact CG-CG1 4.46Å; I397-V400 WeakPolarHBondContact O-CG2 3.24Å; I397-V400 PolarHBondContact O-N 2.9Å; V400-I406 WeakPolarHBondContact O-CG1 3.47Å; V400-Y409 HydrophobicContact CB-CE2 4.42Å; V400-Y409 HydrophobicContact CG1-CD2 4.46Å; V400-Y409 HydrophobicContact CG1-CE2 3.87Å |
| 401 | D | 89.7 | Confident | 86.2 | Confident | 13 Ų | 13 | 58.1 Ų | 58.1 | 7% | 0.07 | 30% | 0.299 | C | S | . | . | trans | -92.8 | -5.2 | -175.3 | 68.6 | -15.2 | 0 | 0 | 0 | 114.4 | H336 V340 I397 E455 K456 | H336-D401 IonicContact CD2-OD2 3.17Å; H336-D401 WeakPolarHBondContact NE2-CB 3.29Å; H336-D401 IonicContact NE2-OD2 2.88Å; H336-D401 PolarHBondContact NE2-OD2 2.94Å; V340-D401 HydrophobicContact CG2-CB 4.03Å; I397-D401 HydrophobicContact CG2-CB 4.25Å; I397-D401 WeakPolarHBondContact O-CB 3.41Å; I397-D401 VanDerWaalsContact O-CG 3.26Å; I397-D401 PolarHBondContact O-N 3.43Å; D401-E455 CarbonylContact O-C 3.39Å; D401-E455 WeakPolarHBondContact O-CA 3.38Å; D401-K456 HydrophobicContact CB-CB 4.3Å; D401-K456 PolarHBondContact O-N 3.14Å; D401-K456 WeakPolarHBondContact OD2-CD 3.44Å | ||
| 402 | S | 90.3 | Very high | 86.6 | Confident | 37 Ų | 37 | 56 Ų | 56 | 26% | 0.259 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -71.6 | 149.7 | 171.8 | 98.4 | 0 | 0 | 0 | 0 | 111.1 | E404 S405 I406 | S402-E404 VanDerWaalsContact C-N 3.3Å; S402-E404 WeakPolarHBondContact CB-OE2 3.47Å; S402-E404 PolarHBondContact O-N 3.4Å; S402-E404 PolarHBondContact OG-OE2 3.2Å; S402-S405 WeakPolarHBondContact O-CB 3.37Å; S402-S405 PolarHBondContact O-N 2.86Å; S402-S405 VanDerWaalsContact O-N 3.09Å; S402-S405 WeakPolarHBondContact OG-CB 3.47Å; S402-S405 PolarHBondContact OG-N 3.36Å; S402-S405 VanDerWaalsContact OG-N 3.1Å; S402-S405 PolarHBondContact OG-OG 2.97Å; S402-I406 WeakPolarHBondContact O-CG1 3.48Å; S402-I406 PolarHBondContact O-N 3.35Å |
| 403 | R | 91.1 | Very high | 86.9 | Confident | 79 Ų | 79 | 56 Ų | 56 | 30% | 0.298 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -52.3 | -48.5 | 176.1 | -179.5 | 175.1 | -176.4 | 83.7 | 5.7 | 111.8 | S405 I406 V407 E448 V451 E455 | R403-S405 VanDerWaalsContact C-N 3.29Å; R403-S405 PolarHBondContact O-N 3.44Å; R403-I406 PolarHBondContact O-N 2.79Å; R403-V407 WeakPolarHBondContact O-CB 3.36Å; R403-V407 VanDerWaalsContact O-CG2 3.29Å; R403-V407 WeakPolarHBondContact O-CG2 3.44Å; R403-V407 PolarHBondContact O-N 2.92Å; R403-E448 IonicContact CZ-OE1 2.71Å; R403-E448 VanDerWaalsContact CZ-OE1 3.28Å; R403-E448 IonicContact CZ-OE2 3.79Å; R403-E448 IonicContact NH1-OE1 2.72Å; R403-E448 PolarHBondContact NH1-OE1 3.25Å; R403-E448 IonicContact NH1-OE2 3.62Å; R403-E448 IonicContact NH2-OE1 3.87Å; R403-E448 PolarHBondContact NH2-OE1 2.95Å; R403-E448 IonicContact NH2-OE2 3.43Å; R403-E448 PolarHBondContact NH2-OE2 3.36Å; R403-V451 HydrophobicContact CB-CG1 4.41Å; R403-V451 HydrophobicContact CG-CG1 3.65Å; R403-E455 HydrophobicContact CB-CB 4.38Å; R403-E455 WeakPolarHBondContact CD-OE2 3.42Å; R403-E455 IonicContact NH1-OE2 2.66Å; R403-E455 PolarHBondContact NH1-OE2 2.99Å; R403-E455 VanDerWaalsContact NH1-OE2 3.08Å |
| 404 | E | 91.1 | Very high | 87.5 | Confident | 134 Ų | 134 | 58.3 Ų | 58.3 | 63% | 0.626 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -62.3 | -39.1 | -179.9 | -52.9 | 74.2 | -157.8 | 0 | 0 | 111.2 | S402 K408 | S402-E404 VanDerWaalsContact C-N 3.3Å; S402-E404 WeakPolarHBondContact CB-OE2 3.47Å; S402-E404 PolarHBondContact O-N 3.4Å; S402-E404 PolarHBondContact OG-OE2 3.2Å; E404-K408 WeakPolarHBondContact O-CB 3.49Å; E404-K408 PolarHBondContact O-N 3.33Å |
| 405 | S | 90.5 | Very high | 87.9 | Confident | 27 Ų | 27 | 52.8 Ų | 52.8 | 19% | 0.189 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -67.9 | -47.2 | 179.1 | -58.8 | 0 | 0 | 0 | 0 | 111.2 | S402 R403 K408 Y409 | S402-S405 WeakPolarHBondContact O-CB 3.37Å; S402-S405 PolarHBondContact O-N 2.86Å; S402-S405 VanDerWaalsContact O-N 3.09Å; S402-S405 WeakPolarHBondContact OG-CB 3.47Å; S402-S405 PolarHBondContact OG-N 3.36Å; S402-S405 VanDerWaalsContact OG-N 3.1Å; S402-S405 PolarHBondContact OG-OG 2.97Å; R403-S405 VanDerWaalsContact C-N 3.29Å; R403-S405 PolarHBondContact O-N 3.44Å; S405-K408 WeakPolarHBondContact O-CB 3.43Å; S405-K408 PolarHBondContact O-N 3.44Å; S405-Y409 WeakPolarHBondContact O-CD2 3.3Å; S405-Y409 PolarHBondContact O-N 3.3Å |
| 406 | I | 89.6 | Confident | 88 | Confident | 2 Ų | 2 | 55.4 Ų | 55.4 | 1% | 0.01 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.2 | -47.7 | 177.9 | -60.6 | 167.1 | 0 | 0 | 0 | 109.9 | V400 S402 R403 K408 Y409 F410 L450 V451 H454 E455 | V400-I406 WeakPolarHBondContact O-CG1 3.47Å; S402-I406 WeakPolarHBondContact O-CG1 3.48Å; S402-I406 PolarHBondContact O-N 3.35Å; R403-I406 PolarHBondContact O-N 2.79Å; I406-K408 VanDerWaalsContact C-N 3.29Å; I406-K408 PolarHBondContact O-N 2.93Å; I406-Y409 PolarHBondContact O-N 2.95Å; I406-F410 HydrophobicContact CG2-CD2 3.72Å; I406-F410 HydrophobicContact CG2-CE2 4.17Å; I406-F410 VanDerWaalsContact O-CD2 3.31Å; I406-F410 WeakPolarHBondContact O-CD2 3.39Å; I406-F410 PolarHBondContact O-N 2.86Å; I406-L450 HydrophobicContact CG2-CD2 4.44Å; I406-V451 HydrophobicContact CB-CG2 4.2Å; I406-V451 HydrophobicContact CG2-CB 4.42Å; I406-V451 HydrophobicContact CG2-CG2 3.67Å; I406-H454 HydrophobicContact CD1-CB 3.98Å; I406-H454 WeakPolarHBondContact CD1-O 3.24Å; I406-E455 HydrophobicContact CD1-CB 4.26Å |
| 407 | V | 92.3 | Very high | 88 | Confident | 51 Ų | 51 | 53 Ų | 53 | 31% | 0.309 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -56.6 | -46.2 | 175.8 | 171.5 | 0 | 0 | 0 | 0 | 110.4 | R403 Y409 S411 V451 | R403-V407 WeakPolarHBondContact O-CB 3.36Å; R403-V407 VanDerWaalsContact O-CG2 3.29Å; R403-V407 WeakPolarHBondContact O-CG2 3.44Å; R403-V407 PolarHBondContact O-N 2.92Å; V407-Y409 PolarHBondContact O-N 3.44Å; V407-S411 WeakPolarHBondContact O-CB 3.2Å; V407-S411 PolarHBondContact O-N 3.44Å; V407-S411 PolarHBondContact O-OG 3.21Å; V407-V451 HydrophobicContact CG2-CG1 4.35Å; V407-V451 HydrophobicContact CG2-CG2 3.61Å |
| 408 | K | 90.8 | Very high | 88.1 | Confident | 140 Ų | 140 | 51.2 Ų | 51.2 | 61% | 0.609 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -56.6 | -51.9 | 178.6 | 179.9 | -174.9 | 177.5 | -176 | 0 | 112.2 | E404 S405 I406 S411 | E404-K408 WeakPolarHBondContact O-CB 3.49Å; E404-K408 PolarHBondContact O-N 3.33Å; S405-K408 WeakPolarHBondContact O-CB 3.43Å; S405-K408 PolarHBondContact O-N 3.44Å; I406-K408 VanDerWaalsContact C-N 3.29Å; I406-K408 PolarHBondContact O-N 2.93Å; K408-S411 PolarHBondContact O-OG 2.83Å |
| 409 | Y | 87.7 | Confident | 88.2 | Confident | 26 Ų | 26 | 48.6 Ų | 48.6 | 10% | 0.102 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -72.2 | -38.3 | -175.4 | -71.1 | -67.9 | 0 | 0 | 0 | 113.4 | L389 E391 F392 R395 V400 S405 I406 V407 S412 | L389-Y409 WeakPolarHBondContact CD2-O 3.4Å; E391-Y409 HydrophobicContact CB-CE1 3.89Å; F392-Y409 HydrophobicContact CB-CD1 4.1Å; F392-Y409 HydrophobicContact CB-CG 4.07Å; F392-Y409 AromaticContact CD2-CD2 3.67Å; F392-Y409 HydrophobicContact CD2-CD2 3.67Å; F392-Y409 HydrophobicContact CD2-CE2 4.39Å; F392-Y409 AromaticContact CD2-CG 3.83Å; F392-Y409 HydrophobicContact CD2-CG 3.83Å; F392-Y409 HydrophobicContact CE2-CD2 4.46Å; F392-Y409 HydrophobicContact CG-CG 4.42Å; R395-Y409 VanDerWaalsContact CD-OH 3.3Å; R395-Y409 WeakPolarHBondContact CD-OH 3.48Å; R395-Y409 PolarHBondContact NE-OH 2.88Å; V400-Y409 HydrophobicContact CB-CE2 4.42Å; V400-Y409 HydrophobicContact CG1-CD2 4.46Å; V400-Y409 HydrophobicContact CG1-CE2 3.87Å; S405-Y409 WeakPolarHBondContact O-CD2 3.3Å; S405-Y409 PolarHBondContact O-N 3.3Å; I406-Y409 PolarHBondContact O-N 2.95Å; V407-Y409 PolarHBondContact O-N 3.44Å; Y409-S412 PolarHBondContact O-OG 3.45Å; Y409-S412 VanDerWaalsContact O-OG 3.11Å |
| 410 | F | 90 | Very high | 88.1 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -93.9 | -8.4 | -174 | -68.7 | -88.6 | 0 | 0 | 0 | 113.8 | L343 L389 F392 I406 S412 L413 L421 L447 L450 | L343-F410 HydrophobicContact CD1-CE1 4.32Å; L343-F410 HydrophobicContact CD1-CZ 3.93Å; L343-F410 HydrophobicContact CD2-CE2 4.09Å; L343-F410 HydrophobicContact CD2-CZ 3.94Å; L343-F410 HydrophobicContact CG-CZ 4.04Å; L389-F410 HydrophobicContact CD1-CD1 4.06Å; L389-F410 HydrophobicContact CD1-CE1 3.51Å; L389-F410 HydrophobicContact CD1-CZ 4.23Å; L389-F410 HydrophobicContact CD2-CD1 3.98Å; L389-F410 HydrophobicContact CD2-CE1 4.01Å; L389-F410 HydrophobicContact CD2-CG 4.43Å; L389-F410 HydrophobicContact CD2-CZ 4.48Å; L389-F410 HydrophobicContact CG-CE1 4.44Å; F392-F410 HydrophobicContact CD1-CE2 4.3Å; F392-F410 AromaticContact CD1-CZ 4Å; F392-F410 HydrophobicContact CD1-CZ 4Å; F392-F410 AromaticContact CD2-CE2 3.81Å; F392-F410 HydrophobicContact CD2-CE2 3.81Å; F392-F410 HydrophobicContact CD2-CZ 4.34Å; F392-F410 HydrophobicContact CE1-CE2 4.05Å; F392-F410 AromaticContact CE1-CZ 3.78Å; F392-F410 HydrophobicContact CE1-CZ 3.78Å; F392-F410 AromaticContact CE2-CE2 3.51Å; F392-F410 HydrophobicContact CE2-CE2 3.51Å; F392-F410 HydrophobicContact CE2-CZ 4.12Å; F392-F410 HydrophobicContact CG-CE2 4.2Å; F392-F410 HydrophobicContact CG-CZ 4.28Å; F392-F410 AromaticContact CZ-CE2 3.66Å; F392-F410 HydrophobicContact CZ-CE2 3.66Å; F392-F410 AromaticContact CZ-CZ 3.85Å; F392-F410 HydrophobicContact CZ-CZ 3.85Å; I406-F410 HydrophobicContact CG2-CD2 3.72Å; I406-F410 HydrophobicContact CG2-CE2 4.17Å; I406-F410 VanDerWaalsContact O-CD2 3.31Å; I406-F410 WeakPolarHBondContact O-CD2 3.39Å; I406-F410 PolarHBondContact O-N 2.86Å; F410-S412 PolarHBondContact O-N 2.95Å; F410-L413 HydrophobicContact CD1-CD1 3.76Å; F410-L413 HydrophobicContact CE1-CD1 4.49Å; F410-L413 PolarHBondContact O-N 3.32Å; F410-L421 HydrophobicContact CD1-CD2 3.78Å; F410-L421 HydrophobicContact CE1-CD2 3.5Å; F410-L421 VanDerWaalsContact CE1-CD2 3.5Å; F410-L447 HydrophobicContact CB-CD1 3.66Å; F410-L450 HydrophobicContact CB-CD2 3.78Å; F410-L450 HydrophobicContact CD1-CD2 3.37Å; F410-L450 HydrophobicContact CD2-CD2 3.79Å; F410-L450 HydrophobicContact CE1-CD2 3.82Å; F410-L450 HydrophobicContact CE2-CD2 4.19Å; F410-L450 HydrophobicContact CG-CD2 3.36Å; F410-L450 HydrophobicContact CZ-CD2 4.21Å |
| 411 | S | 88.5 | Confident | 88 | Confident | 53 Ų | 53 | 48.8 Ų | 48.8 | 37% | 0.371 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | -23 | 174 | 62.3 | 0 | 0 | 0 | 0 | 113.9 | V407 K408 L413 K443 | V407-S411 WeakPolarHBondContact O-CB 3.2Å; V407-S411 PolarHBondContact O-N 3.44Å; V407-S411 PolarHBondContact O-OG 3.21Å; K408-S411 PolarHBondContact O-OG 2.83Å; S411-L413 VanDerWaalsContact C-N 3.31Å; S411-K443 WeakPolarHBondContact O-CE 3.37Å; S411-K443 PolarHBondContact O-NZ 2.78Å |
| 412 | S | 86.1 | Confident | 87.9 | Confident | 71 Ų | 71 | 48.1 Ų | 48.1 | 50% | 0.497 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -26.1 | 177.1 | 57.1 | 0 | 0 | 0 | 0 | 113.1 | Y409 F410 | Y409-S412 PolarHBondContact O-OG 3.45Å; Y409-S412 VanDerWaalsContact O-OG 3.11Å; F410-S412 PolarHBondContact O-N 2.95Å |
| 413 | L | 86.8 | Confident | 87.5 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -72.6 | 147.2 | -178.6 | -59.5 | -176.6 | 0 | 0 | 0 | 112 | F385 E388 L389 F410 S411 Q417 L418 L421 K443 | F385-L413 HydrophobicContact CD1-CD2 4.05Å; E388-L413 HydrophobicContact CB-CD2 3.79Å; E388-L413 HydrophobicContact CG-CD2 4.19Å; L389-L413 HydrophobicContact CD1-CD1 4.27Å; L389-L413 HydrophobicContact CG-CD2 4.47Å; F410-L413 HydrophobicContact CD1-CD1 3.76Å; F410-L413 HydrophobicContact CE1-CD1 4.49Å; F410-L413 PolarHBondContact O-N 3.32Å; S411-L413 VanDerWaalsContact C-N 3.31Å; L413-Q417 HydrophobicContact CB-CB 4.02Å; L413-Q417 HydrophobicContact CD2-CB 4.33Å; L413-L418 HydrophobicContact CB-CD2 4.16Å; L413-L418 HydrophobicContact CB-CG 4Å; L413-L418 HydrophobicContact CD1-CD2 3.98Å; L413-L421 HydrophobicContact CD1-CD2 4.29Å; L413-K443 WeakPolarHBondContact O-CE 3.45Å; L413-K443 PolarHBondContact O-NZ 2.88Å |
| 414 | D | 86.6 | Confident | 86.9 | Confident | 76 Ų | 76 | 47.3 Ų | 47.3 | 41% | 0.406 | 24% | 0.241 | S | C | . | . | trans | -79.9 | 171.6 | 169 | 78.7 | 26.2 | 0 | 0 | 0 | 112.3 | K416 Q417 L418 | D414-K416 VanDerWaalsContact C-N 3.31Å; D414-K416 PolarHBondContact O-N 2.59Å; D414-K416 WeakPolarHBondContact OD1-CA 3.27Å; D414-K416 WeakPolarHBondContact OD1-CB 3.37Å; D414-K416 PolarHBondContact OD1-N 3.05Å; D414-Q417 PolarHBondContact O-N 2.99Å; D414-Q417 WeakPolarHBondContact OD1-CB 3.47Å; D414-Q417 WeakPolarHBondContact OD1-CG 3.3Å; D414-Q417 PolarHBondContact OD1-N 3.36Å; D414-L418 WeakPolarHBondContact O-CG 3.43Å; D414-L418 PolarHBondContact O-N 3.29Å | ||
| 415 | A | 85.3 | Confident | 86.5 | Confident | 11 Ų | 11 | 42.2 Ų | 42.2 | 9% | 0.091 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.2 | -35 | -179 | 0 | 0 | 0 | 0 | 0 | 113 | L418 I419 E442 K443 | A415-L418 PolarHBondContact O-N 3.36Å; A415-I419 WeakPolarHBondContact O-CD1 3.18Å; A415-I419 WeakPolarHBondContact O-CG1 3.35Å; A415-I419 PolarHBondContact O-N 3.49Å; A415-E442 HydrophobicContact CB-CG 4.41Å; A415-K443 HydrophobicContact CB-CB 4.23Å |
| 416 | K | 84.6 | Confident | 86 | Confident | 168 Ų | 168 | 45.2 Ų | 45.2 | 73% | 0.73 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -71.1 | -41.3 | -179.6 | -66.1 | 178.3 | 179.8 | 175 | 0 | 111.1 | D414 I419 H420 | D414-K416 VanDerWaalsContact C-N 3.31Å; D414-K416 PolarHBondContact O-N 2.59Å; D414-K416 WeakPolarHBondContact OD1-CA 3.27Å; D414-K416 WeakPolarHBondContact OD1-CB 3.37Å; D414-K416 PolarHBondContact OD1-N 3.05Å; K416-I419 PolarHBondContact O-N 3.01Å; K416-H420 PolarHBondContact O-N 3.02Å |
| 417 | Q | 85.8 | Confident | 85.8 | Confident | 41 Ų | 41 | 46.5 Ų | 46.5 | 19% | 0.192 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.8 | -46.1 | 173.9 | -75.3 | -178.1 | -45.3 | 0 | 0 | 110.7 | F385 E388 L413 D414 H420 L421 | F385-Q417 HydrophobicContact CD1-CB 4.3Å; F385-Q417 HydrophobicContact CD1-CG 4.36Å; F385-Q417 HydrophobicContact CE1-CB 3.58Å; F385-Q417 HydrophobicContact CE1-CG 3.86Å; F385-Q417 WeakPolarHBondContact CE1-O 3.33Å; F385-Q417 VanDerWaalsContact CZ-O 3.24Å; F385-Q417 WeakPolarHBondContact CZ-O 3.41Å; E388-Q417 PolarHBondContact OE1-NE2 2.79Å; L413-Q417 HydrophobicContact CB-CB 4.02Å; L413-Q417 HydrophobicContact CD2-CB 4.33Å; D414-Q417 PolarHBondContact O-N 2.99Å; D414-Q417 WeakPolarHBondContact OD1-CB 3.47Å; D414-Q417 WeakPolarHBondContact OD1-CG 3.3Å; D414-Q417 PolarHBondContact OD1-N 3.36Å; Q417-H420 PolarHBondContact O-N 3.29Å; Q417-L421 WeakPolarHBondContact O-CB 3.43Å; Q417-L421 PolarHBondContact O-N 3.28Å |
| 418 | L | 87.4 | Confident | 85.3 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.2 | -42.7 | 175.4 | -71.7 | 168.7 | 0 | 0 | 0 | 112.5 | L413 D414 A415 L421 L422 K443 L447 L450 | L413-L418 HydrophobicContact CB-CD2 4.16Å; L413-L418 HydrophobicContact CB-CG 4Å; L413-L418 HydrophobicContact CD1-CD2 3.98Å; D414-L418 WeakPolarHBondContact O-CG 3.43Å; D414-L418 PolarHBondContact O-N 3.29Å; A415-L418 PolarHBondContact O-N 3.36Å; L418-L421 PolarHBondContact O-N 2.97Å; L418-L422 WeakPolarHBondContact O-CB 3.45Å; L418-L422 VanDerWaalsContact O-CG 3.23Å; L418-L422 WeakPolarHBondContact O-CG 3.29Å; L418-L422 PolarHBondContact O-N 3.35Å; L418-K443 HydrophobicContact CD1-CG 3.99Å; L418-L447 HydrophobicContact CD1-CB 4.17Å; L418-L450 HydrophobicContact CD2-CD2 4.38Å |
| 419 | I | 85.6 | Confident | 84.5 | Confident | 35 Ų | 35 | 41 Ų | 41 | 18% | 0.179 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -58 | -50.8 | 175.4 | -71.2 | 162.5 | 0 | 0 | 0 | 110.4 | A415 K416 L421 L422 Q423 I428 Y446 | A415-I419 WeakPolarHBondContact O-CD1 3.18Å; A415-I419 WeakPolarHBondContact O-CG1 3.35Å; A415-I419 PolarHBondContact O-N 3.49Å; K416-I419 PolarHBondContact O-N 3.01Å; I419-L421 VanDerWaalsContact C-N 3.33Å; I419-L421 PolarHBondContact O-N 3.47Å; I419-L422 PolarHBondContact O-N 3.23Å; I419-Q423 HydrophobicContact CG2-CG 4.4Å; I419-Q423 VanDerWaalsContact O-CG 3.31Å; I419-Q423 WeakPolarHBondContact O-CG 3.47Å; I419-Q423 PolarHBondContact O-N 3.37Å; I419-I428 HydrophobicContact CB-CD1 4.32Å; I419-I428 HydrophobicContact CG1-CD1 4.48Å; I419-I428 HydrophobicContact CG2-CD1 3.97Å; I419-Y446 HydrophobicContact CD1-CD2 4.19Å; I419-Y446 HydrophobicContact CD1-CE2 3.55Å; I419-Y446 HydrophobicContact CG1-CD1 4.46Å; I419-Y446 HydrophobicContact CG1-CD2 3.62Å; I419-Y446 HydrophobicContact CG1-CE1 4.21Å; I419-Y446 HydrophobicContact CG1-CE2 3.29Å; I419-Y446 HydrophobicContact CG1-CG 4.21Å |
| 420 | H | 83.7 | Confident | 83.5 | Confident | 60 Ų | 60 | 43.2 Ų | 43.2 | 28% | 0.278 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -59.6 | -44.6 | -179.8 | -171.3 | 63.1 | 0 | 0 | 0 | 111.5 | H384 F385 K416 Q417 L422 Q423 M424 | H384-H420 AromaticContact CD2-CD2 3.84Å; H384-H420 AromaticContact CD2-NE2 3.15Å; H384-H420 PolarHBondContact CD2-NE2 3.03Å; H384-H420 AromaticContact CE1-NE2 3.59Å; H384-H420 AromaticContact CG-CD2 3.8Å; H384-H420 AromaticContact CG-NE2 3.52Å; H384-H420 AromaticContact ND1-NE2 3.78Å; H384-H420 AromaticContact NE2-CE1 3.96Å; H384-H420 AromaticContact NE2-NE2 3.19Å; H384-H420 PolarHBondContact NE2-NE2 3.44Å; H384-H420 VanDerWaalsContact NE2-NE2 3.19Å; F385-H420 HydrophobicContact CZ-CB 4.27Å; F385-H420 AromaticContact CZ-CD2 3.88Å; K416-H420 PolarHBondContact O-N 3.02Å; Q417-H420 PolarHBondContact O-N 3.29Å; H420-L422 PolarHBondContact O-N 2.98Å; H420-Q423 PolarHBondContact O-N 2.68Å; H420-M424 VanDerWaalsContact O-CG 3.29Å; H420-M424 WeakPolarHBondContact O-CG 3.38Å; H420-M424 PolarHBondContact O-N 3.08Å |
| 421 | L | 84.3 | Confident | 82.2 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60 | -46.4 | 175.3 | 178.1 | 64.2 | 0 | 0 | 0 | 112 | L343 V346 F385 F410 L413 Q417 L418 I419 Q423 M424 L425 L450 | L343-L421 HydrophobicContact CD1-CD1 4.4Å; L343-L421 HydrophobicContact CD1-CD2 4.45Å; V346-L421 HydrophobicContact CG1-CD1 3.84Å; F385-L421 HydrophobicContact CE2-CB 3.99Å; F385-L421 HydrophobicContact CE2-CD1 4.17Å; F385-L421 HydrophobicContact CZ-CB 3.95Å; F410-L421 HydrophobicContact CD1-CD2 3.78Å; F410-L421 HydrophobicContact CE1-CD2 3.5Å; F410-L421 VanDerWaalsContact CE1-CD2 3.5Å; L413-L421 HydrophobicContact CD1-CD2 4.29Å; Q417-L421 WeakPolarHBondContact O-CB 3.43Å; Q417-L421 PolarHBondContact O-N 3.28Å; L418-L421 PolarHBondContact O-N 2.97Å; I419-L421 VanDerWaalsContact C-N 3.33Å; I419-L421 PolarHBondContact O-N 3.47Å; L421-Q423 VanDerWaalsContact C-N 3.33Å; L421-Q423 PolarHBondContact O-N 2.88Å; L421-M424 PolarHBondContact O-N 2.92Å; L421-L425 HydrophobicContact CD1-CD1 4.05Å; L421-L425 HydrophobicContact CD1-CG 4.46Å; L421-L425 HydrophobicContact CG-CD1 3.9Å; L421-L425 WeakPolarHBondContact O-CD1 3.47Å; L421-L425 VanDerWaalsContact O-CG 3.27Å; L421-L425 WeakPolarHBondContact O-CG 3.31Å; L421-L425 PolarHBondContact O-N 2.88Å; L421-L450 HydrophobicContact CD2-CD1 4.15Å; L421-L450 HydrophobicContact CD2-CD2 4.05Å |
| 422 | L | 86.9 | Confident | 81.1 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -67 | -32.9 | 179.7 | -70.9 | 176 | 0 | 0 | 0 | 112.7 | L418 I419 H420 L425 H426 L427 I428 Y446 V449 L450 | L418-L422 WeakPolarHBondContact O-CB 3.45Å; L418-L422 VanDerWaalsContact O-CG 3.23Å; L418-L422 WeakPolarHBondContact O-CG 3.29Å; L418-L422 PolarHBondContact O-N 3.35Å; I419-L422 PolarHBondContact O-N 3.23Å; H420-L422 PolarHBondContact O-N 2.98Å; L422-L425 PolarHBondContact O-N 2.88Å; L422-H426 PolarHBondContact O-N 3.24Å; L422-L427 HydrophobicContact CB-CB 4.43Å; L422-L427 HydrophobicContact CD2-CB 4.1Å; L422-L427 HydrophobicContact CD2-CD1 3.61Å; L422-L427 HydrophobicContact CD2-CG 4.46Å; L422-L427 PolarHBondContact O-N 3.03Å; L422-I428 HydrophobicContact CB-CD1 3.64Å; L422-I428 HydrophobicContact CB-CG1 3.71Å; L422-I428 HydrophobicContact CB-CG2 4.4Å; L422-I428 HydrophobicContact CD1-CD1 4.2Å; L422-I428 HydrophobicContact CD1-CG2 4.43Å; L422-Y446 HydrophobicContact CD1-CD1 3.48Å; L422-Y446 VanDerWaalsContact CD1-CD1 3.48Å; L422-Y446 HydrophobicContact CD1-CE1 4.48Å; L422-Y446 HydrophobicContact CD1-CG 3.94Å; L422-V449 HydrophobicContact CD1-CB 4.23Å; L422-V449 HydrophobicContact CD1-CG1 4.1Å; L422-V449 HydrophobicContact CD2-CG1 3.93Å; L422-L450 HydrophobicContact CD2-CB 4.05Å; L422-L450 HydrophobicContact CD2-CD1 4.03Å |
| 423 | Q | 82.2 | Confident | 79.7 | Confident | 52 Ų | 52 | 49.4 Ų | 49.4 | 24% | 0.243 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65.3 | -45.4 | 172.3 | -73.4 | 171.2 | -10.3 | 0 | 0 | 110.7 | I419 H420 L421 L425 H426 I428 E429 | I419-Q423 HydrophobicContact CG2-CG 4.4Å; I419-Q423 VanDerWaalsContact O-CG 3.31Å; I419-Q423 WeakPolarHBondContact O-CG 3.47Å; I419-Q423 PolarHBondContact O-N 3.37Å; H420-Q423 PolarHBondContact O-N 2.68Å; L421-Q423 VanDerWaalsContact C-N 3.33Å; L421-Q423 PolarHBondContact O-N 2.88Å; Q423-L425 PolarHBondContact O-N 3.43Å; Q423-H426 WeakPolarHBondContact O-CA 3.41Å; Q423-H426 PolarHBondContact O-N 3.44Å; Q423-I428 HydrophobicContact CG-CD1 4.05Å; Q423-I428 HydrophobicContact CG-CG1 3.69Å; Q423-E429 PolarHBondContact NE2-O 2.9Å |
| 424 | M | 78.4 | Confident | 78.2 | Confident | 46 Ų | 46 | 58 Ų | 58 | 23% | 0.227 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.5 | -28.2 | 175.9 | -67.4 | 173.8 | 76.3 | 0 | 0 | 113.2 | V346 A381 F385 H420 L421 H426 | V346-M424 HydrophobicContact CG1-CB 3.64Å; V346-M424 HydrophobicContact CG1-CE 3.81Å; V346-M424 HydrophobicContact CG1-SD 4.19Å; A381-M424 HydrophobicContact CB-CE 3.56Å; F385-M424 HydrophobicContact CE2-SD 4.46Å; H420-M424 VanDerWaalsContact O-CG 3.29Å; H420-M424 WeakPolarHBondContact O-CG 3.38Å; H420-M424 PolarHBondContact O-N 3.08Å; L421-M424 PolarHBondContact O-N 2.92Å; M424-H426 VanDerWaalsContact C-N 3.26Å |
| 425 | L | 82.8 | Confident | 76.7 | Confident | 27 Ų | 27 | 57.1 Ų | 57.1 | 14% | 0.141 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | 1.2 | 174.3 | -65.8 | 164.8 | 0 | 0 | 0 | 113.1 | L343 V346 L421 L422 Q423 L427 L450 | L343-L425 HydrophobicContact CD1-CD1 3.64Å; L343-L425 HydrophobicContact CD1-CD2 4.26Å; V346-L425 HydrophobicContact CB-CD2 4.08Å; V346-L425 HydrophobicContact CG1-CD2 4.33Å; V346-L425 HydrophobicContact CG1-CG 4.42Å; V346-L425 HydrophobicContact CG2-CD2 3.76Å; L421-L425 HydrophobicContact CD1-CD1 4.05Å; L421-L425 HydrophobicContact CD1-CG 4.46Å; L421-L425 HydrophobicContact CG-CD1 3.9Å; L421-L425 WeakPolarHBondContact O-CD1 3.47Å; L421-L425 VanDerWaalsContact O-CG 3.27Å; L421-L425 WeakPolarHBondContact O-CG 3.31Å; L421-L425 PolarHBondContact O-N 2.88Å; L422-L425 PolarHBondContact O-N 2.88Å; Q423-L425 PolarHBondContact O-N 3.43Å; L425-L427 HydrophobicContact CB-CD1 4.11Å; L425-L427 HydrophobicContact CB-CG 3.99Å; L425-L427 HydrophobicContact CD1-CD1 4.42Å; L425-L427 PolarHBondContact O-N 3.27Å; L425-L450 HydrophobicContact CD1-CD1 3.72Å |
| 426 | H | 81.4 | Confident | 75.5 | Confident | 91 Ų | 91 | 67.2 Ų | 67.2 | 42% | 0.421 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.1 | 36.2 | -173.8 | -51.9 | -63.4 | 0 | 0 | 0 | 113.4 | E188 I189 L422 Q423 M424 | E188-H426 IonicContact OE2-CE1 3.9Å; E188-H426 IonicContact OE2-CG 2.71Å; E188-H426 IonicContact OE2-ND1 3.68Å; E188-H426 PolarHBondContact OE2-ND1 3.01Å; I189-H426 WeakPolarHBondContact CD1-O 3.2Å; I189-H426 WeakPolarHBondContact CG1-O 3.35Å; L422-H426 PolarHBondContact O-N 3.24Å; Q423-H426 WeakPolarHBondContact O-CA 3.41Å; Q423-H426 PolarHBondContact O-N 3.44Å; M424-H426 VanDerWaalsContact C-N 3.26Å |
| 427 | L | 83.9 | Confident | 74.7 | Confident | 29 Ų | 29 | 62.1 Ų | 62.1 | 15% | 0.152 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -94.4 | -23.1 | 177 | -66.7 | 179.4 | 0 | 0 | 0 | 112.7 | H285 L422 L425 V449 N453 | H285-L427 PolarHBondContact CE1-O 2.92Å; H285-L427 VanDerWaalsContact CE1-O 3.28Å; H285-L427 PolarHBondContact NE2-O 3.42Å; L422-L427 HydrophobicContact CB-CB 4.43Å; L422-L427 HydrophobicContact CD2-CB 4.1Å; L422-L427 HydrophobicContact CD2-CD1 3.61Å; L422-L427 HydrophobicContact CD2-CG 4.46Å; L422-L427 PolarHBondContact O-N 3.03Å; L425-L427 HydrophobicContact CB-CD1 4.11Å; L425-L427 HydrophobicContact CB-CG 3.99Å; L425-L427 HydrophobicContact CD1-CD1 4.42Å; L425-L427 PolarHBondContact O-N 3.27Å; L427-V449 HydrophobicContact CB-CG1 4.47Å; L427-N453 HydrophobicContact CD1-CB 3.95Å; L427-N453 HydrophobicContact CD2-CB 4.37Å |
| 428 | I | 82.1 | Confident | 74.1 | Confident | 4 Ų | 4 | 62.8 Ų | 62.8 | 2% | 0.021 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -137.8 | 156.9 | 175.9 | 65.3 | 178.1 | 0 | 0 | 0 | 110.1 | I419 L422 Q423 W432 Y446 | I419-I428 HydrophobicContact CB-CD1 4.32Å; I419-I428 HydrophobicContact CG1-CD1 4.48Å; I419-I428 HydrophobicContact CG2-CD1 3.97Å; L422-I428 HydrophobicContact CB-CD1 3.64Å; L422-I428 HydrophobicContact CB-CG1 3.71Å; L422-I428 HydrophobicContact CB-CG2 4.4Å; L422-I428 HydrophobicContact CD1-CD1 4.2Å; L422-I428 HydrophobicContact CD1-CG2 4.43Å; Q423-I428 HydrophobicContact CG-CD1 4.05Å; Q423-I428 HydrophobicContact CG-CG1 3.69Å; I428-W432 HydrophobicContact CB-CB 4.43Å; I428-Y446 HydrophobicContact CD1-CD1 4.33Å; I428-Y446 HydrophobicContact CD1-CE1 3.95Å |
| 429 | E | 74.4 | Confident | 73.5 | Confident | 70 Ų | 70 | 67.9 Ų | 67.9 | 33% | 0.327 | 35% | 0.351 | S | S | . | . | trans | -81.2 | 160.5 | 173.4 | -70.8 | -169.5 | 135.8 | 0 | 0 | 112.6 | P186 T187 Q423 D431 W432 | P186-E429 WeakPolarHBondContact CA-OE1 3.41Å; P186-E429 HydrophobicContact CB-CG 3.43Å; P186-E429 VanDerWaalsContact CB-CG 3.43Å; P186-E429 VanDerWaalsContact CB-OE1 3.29Å; P186-E429 WeakPolarHBondContact CB-OE1 3.35Å; P186-E429 HydrophobicContact CG-CG 3.75Å; T187-E429 PolarHBondContact N-OE1 3.1Å; Q423-E429 PolarHBondContact NE2-O 2.9Å; E429-D431 PolarHBondContact O-N 3.22Å; E429-W432 PolarHBondContact O-N 3.17Å | ||
| 430 | A | 66.9 | Low | 73.1 | Confident | 73 Ų | 73 | 71.8 Ų | 71.8 | 60% | 0.603 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.3 | -42.6 | 168.6 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 431 | D | 63.7 | Low | 73 | Confident | 148 Ų | 148 | 73.8 Ų | 73.8 | 79% | 0.791 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.2 | 24.8 | -176.1 | -59.6 | -28.5 | 0 | 0 | 0 | 112.9 | E429 P433 | E429-D431 PolarHBondContact O-N 3.22Å; D431-P433 VanDerWaalsContact O-N 3.11Å |
| 432 | W | 65.1 | Low | 72.9 | Confident | 27 Ų | 27 | 75.6 Ų | 75.6 | 10% | 0.102 | 39% | 0.393 | C | S | . | . | trans | -52.4 | 123.7 | 180 | -175.3 | -93.4 | 0 | 0 | 0 | 109.9 | A283 H285 I428 E429 K434 | A283-W432 WeakPolarHBondContact O-CH2 3.39Å; H285-W432 AromaticContact CD2-CH2 3.87Å; I428-W432 HydrophobicContact CB-CB 4.43Å; E429-W432 PolarHBondContact O-N 3.17Å; W432-K434 PolarHBondContact O-N 3.29Å | ||
| 433 | P | 56.7 | Low | 73.1 | Confident | 79 Ų | 79 | 78.7 Ų | 78.7 | 51% | 0.513 | 41% | 0.407 | S | S | . | . | trans | -59.1 | 121.8 | -171.2 | 19.4 | -30 | 0 | 0 | 0 | 109.3 | D431 Q435 | D431-P433 VanDerWaalsContact O-N 3.11Å; P433-Q435 VanDerWaalsContact C-N 3.29Å; P433-Q435 PolarHBondContact O-N 2.96Å | ||
| 434 | K | 53.7 | Low | 73.4 | Confident | 180 Ų | 180 | 78.2 Ų | 78.2 | 78% | 0.783 | 41% | 0.412 | S | S | * | . | trans | -58.6 | 98.5 | 167.4 | -68.7 | -173.3 | 178.7 | -175.8 | 0 | 106.8 | W432 | W432-K434 PolarHBondContact O-N 3.29Š| ||
| 435 | Q | 56.6 | Low | 74 | Confident | 58 Ų | 58 | 76.2 Ų | 76.2 | 27% | 0.271 | 40% | 0.402 | S | S | . | . | trans | -57.6 | 149 | 164.7 | -65.8 | -172.3 | 2 | 0 | 0 | 106.7 | P433 M437 | P433-Q435 VanDerWaalsContact C-N 3.29Å; P433-Q435 PolarHBondContact O-N 2.96Å; Q435-M437 HydrophobicContact CB-CG 3.92Å; Q435-M437 HydrophobicContact CB-SD 4.02Å; Q435-M437 PolarHBondContact O-N 3.06Å; Q435-M437 VanDerWaalsContact OE1-CE 3.25Å | ||
| 436 | K | 59.6 | Low | 74.4 | Confident | 223 Ų | 223 | 75.6 Ų | 75.6 | 97% | 0.97 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -68.2 | 73.4 | 173.2 | -72.8 | -177.9 | 177.4 | 178.7 | 0 | 108.9 | ||
| 437 | M | 67.8 | Low | 74.9 | Confident | 61 Ų | 61 | 72.3 Ų | 72.3 | 30% | 0.3 | 38% | 0.383 | S | S | . | . | trans | -108.5 | 144.1 | 178.2 | -74.8 | 175.9 | 154.2 | 0 | 0 | 108.2 | Q435 E441 E442 F445 | Q435-M437 HydrophobicContact CB-CG 3.92Å; Q435-M437 HydrophobicContact CB-SD 4.02Å; Q435-M437 PolarHBondContact O-N 3.06Å; Q435-M437 VanDerWaalsContact OE1-CE 3.25Å; M437-E441 HydrophobicContact CB-CB 4.02Å; M437-E441 HydrophobicContact CG-CB 4.25Å; M437-E442 HydrophobicContact CB-CB 4.3Å; M437-F445 HydrophobicContact CE-CB 4.23Å; M437-F445 HydrophobicContact CE-CD2 4.13Å; M437-F445 HydrophobicContact CE-CG 4.23Å; M437-F445 HydrophobicContact SD-CB 4.29Å; M437-F445 HydrophobicContact SD-CG 4.49Å | ||
| 438 | S | 72.6 | Confident | 75.3 | Confident | 55 Ų | 55 | 71.8 Ų | 71.8 | 39% | 0.385 | 38% | 0.38 | S | S | . | . | trans | -63.5 | 158.3 | 162.3 | 64.9 | 0 | 0 | 0 | 0 | 110.2 | V440 E441 E442 | S438-V440 PolarHBondContact O-N 3.22Å; S438-V440 VanDerWaalsContact O-N 3.11Å; S438-E441 WeakPolarHBondContact CB-OE2 3.36Å; S438-E441 PolarHBondContact N-OE2 3.37Å; S438-E441 PolarHBondContact O-N 3.28Å; S438-E441 VanDerWaalsContact O-N 3.1Å; S438-E441 VanDerWaalsContact OG-CD 3.26Å; S438-E441 VanDerWaalsContact OG-CG 3.25Å; S438-E441 WeakPolarHBondContact OG-CG 3.36Å; S438-E441 PolarHBondContact OG-N 3.08Å; S438-E441 PolarHBondContact OG-OE2 2.79Å; S438-E442 WeakPolarHBondContact O-CB 3.31Å; S438-E442 PolarHBondContact O-N 2.81Å | ||
| 439 | V | 75 | Confident | 75.8 | Confident | 108 Ų | 108 | 71.6 Ų | 71.6 | 66% | 0.655 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -55.5 | -32.1 | 176.7 | 179.3 | 0 | 0 | 0 | 0 | 111.8 | K443 | V439-K443 WeakPolarHBondContact O-CB 3.14Å; V439-K443 PolarHBondContact O-N 2.94Å |
| 440 | V | 78.4 | Confident | 76.6 | Confident | 116 Ų | 116 | 68.2 Ų | 68.2 | 70% | 0.703 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -71 | -46.6 | 178.2 | 179.7 | 0 | 0 | 0 | 0 | 111.3 | S438 E442 K443 A444 | S438-V440 PolarHBondContact O-N 3.22Å; S438-V440 VanDerWaalsContact O-N 3.11Å; V440-E442 VanDerWaalsContact C-N 3.33Å; V440-K443 PolarHBondContact O-N 2.87Å; V440-A444 WeakPolarHBondContact O-CB 3.16Å; V440-A444 PolarHBondContact O-N 3.21Å |
| 441 | E | 80.5 | Confident | 77.8 | Confident | 102 Ų | 102 | 64.8 Ų | 64.8 | 48% | 0.477 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -65.4 | -38.6 | 176.6 | -70.7 | 162.7 | 139.4 | 0 | 0 | 111.6 | M437 S438 A444 F445 | M437-E441 HydrophobicContact CB-CB 4.02Å; M437-E441 HydrophobicContact CG-CB 4.25Å; S438-E441 WeakPolarHBondContact CB-OE2 3.36Å; S438-E441 PolarHBondContact N-OE2 3.37Å; S438-E441 PolarHBondContact O-N 3.28Å; S438-E441 VanDerWaalsContact O-N 3.1Å; S438-E441 VanDerWaalsContact OG-CD 3.26Å; S438-E441 VanDerWaalsContact OG-CG 3.25Å; S438-E441 WeakPolarHBondContact OG-CG 3.36Å; S438-E441 PolarHBondContact OG-N 3.08Å; S438-E441 PolarHBondContact OG-OE2 2.79Å; E441-A444 PolarHBondContact O-N 2.97Å; E441-F445 WeakPolarHBondContact O-CB 3.26Å; E441-F445 PolarHBondContact O-N 3.49Å |
| 442 | E | 83.4 | Confident | 79.1 | Confident | 38 Ų | 38 | 58.1 Ų | 58.1 | 18% | 0.178 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.3 | -49.1 | 176.6 | -173.7 | 176.2 | -157.8 | 0 | 0 | 110.9 | A415 M437 S438 V440 A444 F445 Y446 | A415-E442 HydrophobicContact CB-CG 4.41Å; M437-E442 HydrophobicContact CB-CB 4.3Å; S438-E442 WeakPolarHBondContact O-CB 3.31Å; S438-E442 PolarHBondContact O-N 2.81Å; V440-E442 VanDerWaalsContact C-N 3.33Å; E442-A444 PolarHBondContact O-N 3Å; E442-F445 PolarHBondContact O-N 2.7Å; E442-Y446 HydrophobicContact CG-CD2 3.73Å; E442-Y446 HydrophobicContact CG-CE2 3.26Å; E442-Y446 WeakPolarHBondContact O-CD2 3.45Å; E442-Y446 PolarHBondContact O-N 2.93Å |
| 443 | K | 89.3 | Confident | 80.2 | Confident | 66 Ų | 66 | 57.9 Ų | 57.9 | 29% | 0.287 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -58.9 | -46.8 | 173.9 | 178 | 172.6 | 172.5 | 161 | 0 | 111.8 | S411 L413 A415 L418 V439 V440 F445 Y446 L447 | S411-K443 WeakPolarHBondContact O-CE 3.37Å; S411-K443 PolarHBondContact O-NZ 2.78Å; L413-K443 WeakPolarHBondContact O-CE 3.45Å; L413-K443 PolarHBondContact O-NZ 2.88Å; A415-K443 HydrophobicContact CB-CB 4.23Å; L418-K443 HydrophobicContact CD1-CG 3.99Å; V439-K443 WeakPolarHBondContact O-CB 3.14Å; V439-K443 PolarHBondContact O-N 2.94Å; V440-K443 PolarHBondContact O-N 2.87Å; K443-F445 VanDerWaalsContact C-N 3.32Å; K443-F445 PolarHBondContact O-N 3.4Å; K443-Y446 PolarHBondContact O-N 2.84Å; K443-L447 VanDerWaalsContact O-CB 3.27Å; K443-L447 WeakPolarHBondContact O-CB 3.42Å; K443-L447 PolarHBondContact O-N 2.88Å |
| 444 | A | 89.1 | Confident | 81.8 | Confident | 41 Ų | 41 | 54.7 Ų | 54.7 | 34% | 0.339 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -62.1 | -41.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | V440 E441 E442 E448 | V440-A444 WeakPolarHBondContact O-CB 3.16Å; V440-A444 PolarHBondContact O-N 3.21Å; E441-A444 PolarHBondContact O-N 2.97Å; E442-A444 PolarHBondContact O-N 3Å; A444-E448 VanDerWaalsContact O-CB 3.3Å; A444-E448 WeakPolarHBondContact O-CB 3.01Å; A444-E448 PolarHBondContact O-N 3.04Å |
| 445 | F | 90.4 | Very high | 83.6 | Confident | 5 Ų | 5 | 46.8 Ų | 46.8 | 2% | 0.022 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.2 | -53.3 | 176.1 | -178.7 | -95.9 | 0 | 0 | 0 | 112 | H285 T288 L292 M437 E441 E442 K443 L447 E448 V449 | H285-F445 HydrophobicContact CB-CE2 4.5Å; H285-F445 HydrophobicContact CB-CZ 3.91Å; T288-F445 HydrophobicContact CG2-CD2 3.99Å; T288-F445 HydrophobicContact CG2-CE2 3.92Å; L292-F445 VanDerWaalsContact CD1-CA 3.45Å; L292-F445 HydrophobicContact CD1-CB 4.09Å; L292-F445 HydrophobicContact CD1-CD2 4.04Å; M437-F445 HydrophobicContact CE-CB 4.23Å; M437-F445 HydrophobicContact CE-CD2 4.13Å; M437-F445 HydrophobicContact CE-CG 4.23Å; M437-F445 HydrophobicContact SD-CB 4.29Å; M437-F445 HydrophobicContact SD-CG 4.49Å; E441-F445 WeakPolarHBondContact O-CB 3.26Å; E441-F445 PolarHBondContact O-N 3.49Å; E442-F445 PolarHBondContact O-N 2.7Å; K443-F445 VanDerWaalsContact C-N 3.32Å; K443-F445 PolarHBondContact O-N 3.4Å; F445-L447 PolarHBondContact O-N 2.77Å; F445-E448 PolarHBondContact O-N 3.13Å; F445-V449 HydrophobicContact CD1-CG2 4.11Å; F445-V449 HydrophobicContact CE1-CG2 3.71Å; F445-V449 HydrophobicContact CE2-CG2 4.42Å; F445-V449 HydrophobicContact CZ-CG2 3.89Å; F445-V449 WeakPolarHBondContact O-CG2 3.29Å; F445-V449 PolarHBondContact O-N 3.29Å |
| 446 | Y | 91.1 | Very high | 85.2 | Confident | 13 Ų | 13 | 48.8 Ų | 48.8 | 5% | 0.051 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -67.2 | -36.4 | -178.3 | -66.9 | -52.9 | 0 | 0 | 0 | 113 | I419 L422 I428 E442 K443 E448 V449 L450 | I419-Y446 HydrophobicContact CD1-CD2 4.19Å; I419-Y446 HydrophobicContact CD1-CE2 3.55Å; I419-Y446 HydrophobicContact CG1-CD1 4.46Å; I419-Y446 HydrophobicContact CG1-CD2 3.62Å; I419-Y446 HydrophobicContact CG1-CE1 4.21Å; I419-Y446 HydrophobicContact CG1-CE2 3.29Å; I419-Y446 HydrophobicContact CG1-CG 4.21Å; L422-Y446 HydrophobicContact CD1-CD1 3.48Å; L422-Y446 VanDerWaalsContact CD1-CD1 3.48Å; L422-Y446 HydrophobicContact CD1-CE1 4.48Å; L422-Y446 HydrophobicContact CD1-CG 3.94Å; I428-Y446 HydrophobicContact CD1-CD1 4.33Å; I428-Y446 HydrophobicContact CD1-CE1 3.95Å; E442-Y446 HydrophobicContact CG-CD2 3.73Å; E442-Y446 HydrophobicContact CG-CE2 3.26Å; E442-Y446 WeakPolarHBondContact O-CD2 3.45Å; E442-Y446 PolarHBondContact O-N 2.93Å; K443-Y446 PolarHBondContact O-N 2.84Å; Y446-E448 VanDerWaalsContact C-N 3.34Å; Y446-V449 PolarHBondContact O-N 3.05Å; Y446-L450 PolarHBondContact O-N 3.37Å |
| 447 | L | 92.4 | Very high | 86.2 | Confident | 23 Ų | 23 | 40.8 Ų | 40.8 | 12% | 0.12 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.9 | -43.8 | 172 | -177.6 | 60.5 | 0 | 0 | 0 | 110.8 | F410 L418 K443 F445 L450 V451 | F410-L447 HydrophobicContact CB-CD1 3.66Å; L418-L447 HydrophobicContact CD1-CB 4.17Å; K443-L447 VanDerWaalsContact O-CB 3.27Å; K443-L447 WeakPolarHBondContact O-CB 3.42Å; K443-L447 PolarHBondContact O-N 2.88Å; F445-L447 PolarHBondContact O-N 2.77Å; L447-L450 WeakPolarHBondContact O-CB 3.43Å; L447-L450 PolarHBondContact O-N 3.08Å; L447-V451 HydrophobicContact CD1-CG2 4.28Å; L447-V451 HydrophobicContact CG-CG2 4.36Å; L447-V451 WeakPolarHBondContact O-CB 3.13Å; L447-V451 WeakPolarHBondContact O-CG2 3.32Å; L447-V451 PolarHBondContact O-N 3.16Å |
| 448 | E | 93.2 | Very high | 86.6 | Confident | 17 Ų | 17 | 41.5 Ų | 41.5 | 8% | 0.079 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -67.8 | -35.2 | 177.9 | -171.1 | 60 | -138.9 | 0 | 0 | 112.7 | T288 L292 R403 A444 F445 Y446 L450 V451 T452 | T288-E448 HydrophobicContact CG2-CB 3.67Å; T288-E448 HydrophobicContact CG2-CG 3.52Å; L292-E448 HydrophobicContact CD1-CB 3.78Å; L292-E448 HydrophobicContact CD1-CG 4.15Å; L292-E448 HydrophobicContact CD2-CB 4.32Å; L292-E448 HydrophobicContact CD2-CG 4.34Å; L292-E448 HydrophobicContact CG-CB 4.24Å; L292-E448 HydrophobicContact CG-CG 4.14Å; R403-E448 IonicContact CZ-OE1 2.71Å; R403-E448 VanDerWaalsContact CZ-OE1 3.28Å; R403-E448 IonicContact CZ-OE2 3.79Å; R403-E448 IonicContact NH1-OE1 2.72Å; R403-E448 PolarHBondContact NH1-OE1 3.25Å; R403-E448 IonicContact NH1-OE2 3.62Å; R403-E448 IonicContact NH2-OE1 3.87Å; R403-E448 PolarHBondContact NH2-OE1 2.95Å; R403-E448 IonicContact NH2-OE2 3.43Å; R403-E448 PolarHBondContact NH2-OE2 3.36Å; A444-E448 VanDerWaalsContact O-CB 3.3Å; A444-E448 WeakPolarHBondContact O-CB 3.01Å; A444-E448 PolarHBondContact O-N 3.04Å; F445-E448 PolarHBondContact O-N 3.13Å; Y446-E448 VanDerWaalsContact C-N 3.34Å; E448-L450 VanDerWaalsContact C-N 3.31Å; E448-L450 PolarHBondContact O-N 3.44Å; E448-V451 PolarHBondContact O-N 2.94Å; E448-T452 WeakPolarHBondContact O-CB 3.29Å; E448-T452 PolarHBondContact O-N 3.13Å; E448-T452 PolarHBondContact O-OG1 3.07Å; E448-T452 PolarHBondContact OE1-OG1 2.77Å; E448-T452 VanDerWaalsContact OE1-OG1 3.08Å |
| 449 | V | 91.8 | Very high | 87 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.5 | -43.9 | 172.5 | 169 | 0 | 0 | 0 | 0 | 110.2 | H285 T288 L422 L427 F445 Y446 N453 | H285-V449 HydrophobicContact CB-CG2 4.04Å; T288-V449 HydrophobicContact CG2-CG2 3.81Å; L422-V449 HydrophobicContact CD1-CB 4.23Å; L422-V449 HydrophobicContact CD1-CG1 4.1Å; L422-V449 HydrophobicContact CD2-CG1 3.93Å; L427-V449 HydrophobicContact CB-CG1 4.47Å; F445-V449 HydrophobicContact CD1-CG2 4.11Å; F445-V449 HydrophobicContact CE1-CG2 3.71Å; F445-V449 HydrophobicContact CE2-CG2 4.42Å; F445-V449 HydrophobicContact CZ-CG2 3.89Å; F445-V449 WeakPolarHBondContact O-CG2 3.29Å; F445-V449 PolarHBondContact O-N 3.29Å; Y446-V449 PolarHBondContact O-N 3.05Å; V449-N453 WeakPolarHBondContact O-CB 3.42Å; V449-N453 PolarHBondContact O-N 3.35Å; V449-N453 VanDerWaalsContact O-N 3.12Å; V449-N453 PolarHBondContact O-ND2 3.1Å |
| 450 | L | 91.3 | Very high | 87.2 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.5 | -51.6 | 177.3 | -175.8 | 72 | 0 | 0 | 0 | 111 | L343 I406 F410 L418 L421 L422 L425 Y446 L447 E448 N453 H454 | L343-L450 HydrophobicContact CD1-CD1 3.86Å; I406-L450 HydrophobicContact CG2-CD2 4.44Å; F410-L450 HydrophobicContact CB-CD2 3.78Å; F410-L450 HydrophobicContact CD1-CD2 3.37Å; F410-L450 HydrophobicContact CD2-CD2 3.79Å; F410-L450 HydrophobicContact CE1-CD2 3.82Å; F410-L450 HydrophobicContact CE2-CD2 4.19Å; F410-L450 HydrophobicContact CG-CD2 3.36Å; F410-L450 HydrophobicContact CZ-CD2 4.21Å; L418-L450 HydrophobicContact CD2-CD2 4.38Å; L421-L450 HydrophobicContact CD2-CD1 4.15Å; L421-L450 HydrophobicContact CD2-CD2 4.05Å; L422-L450 HydrophobicContact CD2-CB 4.05Å; L422-L450 HydrophobicContact CD2-CD1 4.03Å; L425-L450 HydrophobicContact CD1-CD1 3.72Å; Y446-L450 PolarHBondContact O-N 3.37Å; L447-L450 WeakPolarHBondContact O-CB 3.43Å; L447-L450 PolarHBondContact O-N 3.08Å; E448-L450 VanDerWaalsContact C-N 3.31Å; E448-L450 PolarHBondContact O-N 3.44Å; L450-N453 PolarHBondContact O-N 3.19Å; L450-H454 PolarHBondContact O-N 3.19Å; L450-H454 VanDerWaalsContact O-N 3.12Å; L450-H454 PolarHBondContact O-ND1 3.5Å |
| 451 | V | 92.2 | Very high | 87.4 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.7 | -53.7 | -178.4 | 169.9 | 0 | 0 | 0 | 0 | 110.6 | R403 I406 V407 L447 E448 N453 H454 E455 | R403-V451 HydrophobicContact CB-CG1 4.41Å; R403-V451 HydrophobicContact CG-CG1 3.65Å; I406-V451 HydrophobicContact CB-CG2 4.2Å; I406-V451 HydrophobicContact CG2-CB 4.42Å; I406-V451 HydrophobicContact CG2-CG2 3.67Å; V407-V451 HydrophobicContact CG2-CG1 4.35Å; V407-V451 HydrophobicContact CG2-CG2 3.61Å; L447-V451 HydrophobicContact CD1-CG2 4.28Å; L447-V451 HydrophobicContact CG-CG2 4.36Å; L447-V451 WeakPolarHBondContact O-CB 3.13Å; L447-V451 WeakPolarHBondContact O-CG2 3.32Å; L447-V451 PolarHBondContact O-N 3.16Å; E448-V451 PolarHBondContact O-N 2.94Å; V451-N453 VanDerWaalsContact C-N 3.3Å; V451-N453 PolarHBondContact O-N 3.19Å; V451-H454 PolarHBondContact O-N 3.09Å; V451-H454 VanDerWaalsContact O-N 3.16Å; V451-E455 VanDerWaalsContact O-CB 3.28Å; V451-E455 WeakPolarHBondContact O-CB 3.47Å; V451-E455 WeakPolarHBondContact O-CG 3.41Å; V451-E455 PolarHBondContact O-N 3.14Å |
| 452 | T | 90.1 | Very high | 87.6 | Confident | 8 Ų | 8 | 32.6 Ų | 32.6 | 5% | 0.049 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -51.8 | -54.2 | 177.5 | -67.4 | 0 | 0 | 0 | 0 | 108.1 | R316 E448 H454 | R316-T452 PolarHBondContact NH1-O 3.44Å; R316-T452 PolarHBondContact NH2-O 2.63Å; E448-T452 WeakPolarHBondContact O-CB 3.29Å; E448-T452 PolarHBondContact O-N 3.13Å; E448-T452 PolarHBondContact O-OG1 3.07Å; E448-T452 PolarHBondContact OE1-OG1 2.77Å; E448-T452 VanDerWaalsContact OE1-OG1 3.08Å; T452-H454 VanDerWaalsContact C-N 3.31Å; T452-H454 PolarHBondContact O-N 3.08Å |
| 453 | N | 88.8 | Confident | 87.8 | Confident | 23 Ų | 23 | 33.3 Ų | 33.3 | 12% | 0.123 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.7 | -24.5 | -176 | -79.4 | -50.9 | 0 | 0 | 0 | 116.8 | L427 V449 L450 V451 | L427-N453 HydrophobicContact CD1-CB 3.95Å; L427-N453 HydrophobicContact CD2-CB 4.37Å; V449-N453 WeakPolarHBondContact O-CB 3.42Å; V449-N453 PolarHBondContact O-N 3.35Å; V449-N453 VanDerWaalsContact O-N 3.12Å; V449-N453 PolarHBondContact O-ND2 3.1Å; L450-N453 PolarHBondContact O-N 3.19Å; V451-N453 VanDerWaalsContact C-N 3.3Å; V451-N453 PolarHBondContact O-N 3.19Å |
| 454 | H | 91.1 | Very high | 87.8 | Confident | 11 Ų | 11 | 30.5 Ų | 30.5 | 5% | 0.051 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -119.6 | -7.3 | -171.8 | -60.7 | 88 | 0 | 0 | 0 | 115.2 | H336 L343 I406 L450 V451 T452 | H336-H454 PolarHBondContact CE1-O 3Å; L343-H454 HydrophobicContact CD2-CB 3.98Å; I406-H454 HydrophobicContact CD1-CB 3.98Å; I406-H454 WeakPolarHBondContact CD1-O 3.24Å; L450-H454 PolarHBondContact O-N 3.19Å; L450-H454 VanDerWaalsContact O-N 3.12Å; L450-H454 PolarHBondContact O-ND1 3.5Å; V451-H454 PolarHBondContact O-N 3.09Å; V451-H454 VanDerWaalsContact O-N 3.16Å; T452-H454 VanDerWaalsContact C-N 3.31Å; T452-H454 PolarHBondContact O-N 3.08Å |
| 455 | E | 91.8 | Very high | 87.8 | Confident | 14 Ų | 14 | 31.1 Ų | 31.1 | 7% | 0.065 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -64.5 | 137.4 | 174.9 | 71.6 | -170.1 | 167.3 | 0 | 0 | 110.5 | K312 D401 R403 I406 V451 Y457 | K312-E455 WeakPolarHBondContact CE-OE1 3.37Å; K312-E455 IonicContact NZ-OE1 2.96Å; K312-E455 PolarHBondContact NZ-OE1 3Å; D401-E455 CarbonylContact O-C 3.39Å; D401-E455 WeakPolarHBondContact O-CA 3.38Å; R403-E455 HydrophobicContact CB-CB 4.38Å; R403-E455 WeakPolarHBondContact CD-OE2 3.42Å; R403-E455 IonicContact NH1-OE2 2.66Å; R403-E455 PolarHBondContact NH1-OE2 2.99Å; R403-E455 VanDerWaalsContact NH1-OE2 3.08Å; I406-E455 HydrophobicContact CD1-CB 4.26Å; V451-E455 VanDerWaalsContact O-CB 3.28Å; V451-E455 WeakPolarHBondContact O-CB 3.47Å; V451-E455 WeakPolarHBondContact O-CG 3.41Å; V451-E455 PolarHBondContact O-N 3.14Å; E455-Y457 PolarHBondContact O-N 3.47Å |
| 456 | K | 88.5 | Confident | 87.9 | Confident | 101 Ų | 101 | 33.4 Ų | 33.4 | 44% | 0.439 | 17% | 0.174 | S | C | . | . | P | Polyproline II helix | trans | -62.6 | 122.4 | 171 | -172.5 | -177.7 | 179.1 | -177.6 | 0 | 108.7 | H336 D401 | H336-K456 WeakPolarHBondContact CE1-CA 3.38Å; H336-K456 PolarHBondContact CE1-N 3.23Å; D401-K456 HydrophobicContact CB-CB 4.3Å; D401-K456 PolarHBondContact O-N 3.14Å; D401-K456 WeakPolarHBondContact OD2-CD 3.44Å |
| 457 | Y | 81.3 | Confident | 87.9 | Confident | 54 Ų | 54 | 35 Ų | 35 | 21% | 0.212 | 18% | 0.182 | C | C | . | . | P | Polyproline II helix | trans | -77.7 | 136.3 | 173.8 | -137.8 | -108 | 0 | 0 | 0 | 109.9 | K312 E455 S459 | K312-Y457 HydrophobicContact CD-CE2 4.22Å; K312-Y457 HydrophobicContact CG-CE2 4.2Å; E455-Y457 PolarHBondContact O-N 3.47Å; Y457-S459 PolarHBondContact O-N 3.02Å |
| 458 | P | 76.5 | Confident | 88 | Confident | 77 Ų | 77 | 34.9 Ų | 34.9 | 50% | 0.5 | 18% | 0.183 | S | C | . | . | P | Polyproline II helix | trans | -61.1 | 139.1 | 174.3 | 25.8 | -33 | 0 | 0 | 0 | 109.5 | Q460 | P458-Q460 PolarHBondContact O-N 3.07Š|
| 459 | S | 81.4 | Confident | 88 | Confident | 21 Ų | 21 | 34.1 Ų | 34.1 | 15% | 0.147 | 18% | 0.179 | C | C | . | . | P | Polyproline II helix | trans | -61.5 | 121.6 | 173.2 | 166.4 | 0 | 0 | 0 | 0 | 108.4 | Y457 L461 E462 S463 | Y457-S459 PolarHBondContact O-N 3.02Å; S459-L461 PolarHBondContact O-N 2.99Å; S459-E462 PolarHBondContact O-N 3.13Å; S459-E462 VanDerWaalsContact O-N 3.14Å; S459-E462 WeakPolarHBondContact OG-CG 3.08Å; S459-E462 PolarHBondContact OG-N 3.11Å; S459-S463 PolarHBondContact O-N 2.81Å; S459-S463 PolarHBondContact O-OG 3.38Å |
| 460 | Q | 78.6 | Confident | 88.3 | Confident | 13 Ų | 13 | 34.9 Ų | 34.9 | 6% | 0.061 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63.3 | -38 | -176.5 | -55.6 | -176.9 | 9.2 | 0 | 0 | 111 | F313 P458 S463 I464 Y506 | F313-Q460 VanDerWaalsContact CE2-CD 3.41Å; F313-Q460 HydrophobicContact CE2-CG 4.29Å; F313-Q460 VanDerWaalsContact CE2-OE1 3.29Å; P458-Q460 PolarHBondContact O-N 3.07Å; Q460-S463 PolarHBondContact O-N 3.27Å; Q460-I464 VanDerWaalsContact O-CG1 3.32Å; Q460-I464 WeakPolarHBondContact O-CG1 3.34Å; Q460-I464 PolarHBondContact O-N 3.23Å; Q460-Y506 HydrophobicContact CB-CE1 4.23Å; Q460-Y506 WeakPolarHBondContact CB-OH 3.21Å |
| 461 | L | 83.4 | Confident | 88.5 | Confident | 42 Ų | 42 | 35.1 Ų | 35.1 | 22% | 0.22 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63 | -42.8 | 175.9 | -172.8 | 64.6 | 0 | 0 | 0 | 111.2 | S459 I464 N465 Y506 M725 N726 | S459-L461 PolarHBondContact O-N 2.99Å; L461-I464 PolarHBondContact O-N 3.17Å; L461-N465 WeakPolarHBondContact O-CB 3.46Å; L461-N465 PolarHBondContact O-N 3.23Å; L461-N465 PolarHBondContact O-ND2 2.68Å; L461-Y506 PolarHBondContact N-OH 3.02Å; L461-M725 HydrophobicContact CD1-CB 4Å; L461-M725 WeakPolarHBondContact CD1-O 3.48Å; L461-N726 HydrophobicContact CD1-CB 4.42Å; L461-N726 WeakPolarHBondContact CD1-OD1 2.99Å |
| 462 | E | 84.7 | Confident | 88.7 | Confident | 117 Ų | 117 | 35.8 Ų | 35.8 | 55% | 0.547 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -64.4 | -40.7 | 175.2 | -69.2 | 174.9 | -176.3 | 0 | 0 | 111.6 | S459 I464 N465 N466 | S459-E462 PolarHBondContact O-N 3.13Å; S459-E462 VanDerWaalsContact O-N 3.14Å; S459-E462 WeakPolarHBondContact OG-CG 3.08Å; S459-E462 PolarHBondContact OG-N 3.11Å; E462-I464 VanDerWaalsContact C-N 3.31Å; E462-I464 PolarHBondContact O-N 3.04Å; E462-N465 PolarHBondContact O-N 2.75Å; E462-N466 VanDerWaalsContact O-CB 3.31Å; E462-N466 WeakPolarHBondContact O-CB 3.36Å; E462-N466 PolarHBondContact O-N 3.11Å; E462-N466 PolarHBondContact O-ND2 2.95Å |
| 463 | S | 86.5 | Confident | 88.9 | Confident | 53 Ų | 53 | 36.8 Ų | 36.8 | 37% | 0.371 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -60.4 | -40.1 | 176.3 | -62.4 | 0 | 0 | 0 | 0 | 112.2 | S459 Q460 M467 | S459-S463 PolarHBondContact O-N 2.81Å; S459-S463 PolarHBondContact O-OG 3.38Å; Q460-S463 PolarHBondContact O-N 3.27Å; S463-M467 WeakPolarHBondContact O-CB 3.3Å; S463-M467 PolarHBondContact O-N 3.41Å |
| 464 | I | 89.1 | Confident | 89 | Confident | 7 Ų | 7 | 41.5 Ų | 41.5 | 4% | 0.036 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -72.8 | -38.4 | 177.8 | -64.9 | 165.7 | 0 | 0 | 0 | 111.3 | Q460 L461 E462 N466 M467 Y506 L510 F513 R722 M725 | Q460-I464 VanDerWaalsContact O-CG1 3.32Å; Q460-I464 WeakPolarHBondContact O-CG1 3.34Å; Q460-I464 PolarHBondContact O-N 3.23Å; L461-I464 PolarHBondContact O-N 3.17Å; E462-I464 VanDerWaalsContact C-N 3.31Å; E462-I464 PolarHBondContact O-N 3.04Å; I464-N466 VanDerWaalsContact C-N 3.31Å; I464-N466 PolarHBondContact O-N 3.47Å; I464-M467 VanDerWaalsContact O-CB 3.28Å; I464-M467 WeakPolarHBondContact O-CB 3.46Å; I464-M467 PolarHBondContact O-N 3.18Å; I464-Y506 VanDerWaalsContact CD1-OH 3.27Å; I464-Y506 WeakPolarHBondContact CD1-OH 3.35Å; I464-L510 HydrophobicContact CD1-CD1 3.64Å; I464-L510 HydrophobicContact CG1-CD1 4.38Å; I464-F513 HydrophobicContact CG2-CE1 4.25Å; I464-F513 HydrophobicContact CG2-CE2 4.5Å; I464-F513 HydrophobicContact CG2-CZ 4.14Å; I464-R722 HydrophobicContact CG2-CB 4.46Å; I464-R722 HydrophobicContact CG2-CG 4.03Å; I464-M725 HydrophobicContact CD1-CE 3.2Å; I464-M725 HydrophobicContact CD1-SD 3.95Å |
| 465 | N | 90.4 | Very high | 89.1 | Confident | 54 Ų | 54 | 42.6 Ų | 42.6 | 29% | 0.289 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -65.4 | -36.5 | 176.6 | -72.1 | -17.1 | 0 | 0 | 0 | 112.2 | L461 E462 M467 N680 N726 | L461-N465 WeakPolarHBondContact O-CB 3.46Å; L461-N465 PolarHBondContact O-N 3.23Å; L461-N465 PolarHBondContact O-ND2 2.68Å; E462-N465 PolarHBondContact O-N 2.75Å; N465-M467 VanDerWaalsContact C-N 3.26Å; N465-M467 PolarHBondContact O-N 3.37Å; N465-N680 PolarHBondContact O-ND2 3.11Å; N465-N726 PolarHBondContact ND2-OD1 3.08Å; N465-N726 PolarHBondContact OD1-ND2 2.91Å; N465-N726 PolarHBondContact OD1-OD1 3.3Å |
| 466 | N | 91.5 | Very high | 89.2 | Confident | 54 Ų | 54 | 41.9 Ų | 41.9 | 29% | 0.289 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -1.6 | 176.3 | -74.2 | -58 | 0 | 0 | 0 | 114 | E462 I464 R683 | E462-N466 VanDerWaalsContact O-CB 3.31Å; E462-N466 WeakPolarHBondContact O-CB 3.36Å; E462-N466 PolarHBondContact O-N 3.11Å; E462-N466 PolarHBondContact O-ND2 2.95Å; I464-N466 VanDerWaalsContact C-N 3.31Å; I464-N466 PolarHBondContact O-N 3.47Å; N466-R683 PolarHBondContact O-NH2 2.55Å; N466-R683 PolarHBondContact OD1-NH1 3.34Å |
| 467 | M | 92.2 | Very high | 89.3 | Confident | 45 Ų | 45 | 38.5 Ų | 38.5 | 22% | 0.222 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -85.3 | 133.5 | -177.2 | -170.1 | 179.8 | -75.2 | 0 | 0 | 111.1 | S463 I464 N465 F513 R517 N680 | S463-M467 WeakPolarHBondContact O-CB 3.3Å; S463-M467 PolarHBondContact O-N 3.41Å; I464-M467 VanDerWaalsContact O-CB 3.28Å; I464-M467 WeakPolarHBondContact O-CB 3.46Å; I464-M467 PolarHBondContact O-N 3.18Å; N465-M467 VanDerWaalsContact C-N 3.26Å; N465-M467 PolarHBondContact O-N 3.37Å; M467-F513 HydrophobicContact SD-CE1 3.74Å; M467-F513 HydrophobicContact SD-CZ 4.3Å; M467-R517 VanDerWaalsContact SD-CZ 3.54Å; M467-R517 PolarHBondContact SD-NH1 3.49Å; M467-N680 PolarHBondContact O-ND2 2.71Å; M467-N680 VanDerWaalsContact O-ND2 3.13Å |
| 468 | P | 94.7 | Very high | 89.5 | Confident | 21 Ų | 21 | 37.1 Ų | 37.1 | 14% | 0.136 | 20% | 0.197 | C | C | . | . | trans | -61.6 | 139.9 | 166.5 | -24.2 | 35.2 | 0 | 0 | 0 | 111.9 | D678 N680 Q681 | P468-D678 WeakPolarHBondContact CA-OD2 3.27Å; P468-N680 HydrophobicContact CG-CB 4.15Å; P468-Q681 HydrophobicContact CB-CB 4.07Å; P468-Q681 HydrophobicContact CG-CB 4.04Å; P468-Q681 VanDerWaalsContact CG-OE1 3.29Å | ||
| 469 | L | 93.2 | Very high | 89.9 | Confident | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.01 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -89.8 | -24.4 | 178.2 | -66.2 | -169.6 | 0 | 0 | 0 | 113.2 | F513 D678 K715 L718 D719 | L469-F513 HydrophobicContact CD2-CE2 4Å; L469-F513 HydrophobicContact CD2-CZ 3.76Å; L469-D678 PolarHBondContact N-OD2 3.14Å; L469-K715 HydrophobicContact CB-CG 4.49Å; L469-K715 HydrophobicContact CD1-CG 4.41Å; L469-L718 HydrophobicContact CD1-CB 4.24Å; L469-L718 HydrophobicContact CD2-CB 4.15Å; L469-D719 HydrophobicContact CD1-CB 4.29Å; L469-D719 VanDerWaalsContact CD1-CG 3.47Å; L469-D719 WeakPolarHBondContact CD1-OD1 3.29Å |
| 470 | Y | 96.4 | Very high | 89.9 | Confident | 15 Ų | 15 | 39 Ų | 39 | 6% | 0.059 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -84.1 | 139.9 | 173.1 | -57.6 | -65 | 0 | 0 | 0 | 110.6 | V606 F608 G639 D678 F714 K715 | Y470-V606 HydrophobicContact CD1-CG1 4.13Å; Y470-V606 HydrophobicContact CE1-CB 4.4Å; Y470-V606 HydrophobicContact CE1-CG1 3.48Å; Y470-V606 VanDerWaalsContact CE1-CG1 3.48Å; Y470-V606 HydrophobicContact CE1-CG2 4Å; Y470-F608 HydrophobicContact CD1-CE1 4.48Å; Y470-G639 VanDerWaalsContact CG-CA 3.49Å; Y470-D678 HydrophobicContact CD2-CB 3.73Å; Y470-D678 HydrophobicContact CE2-CB 4.08Å; Y470-F714 HydrophobicContact CD1-CE2 4.11Å; Y470-F714 AromaticContact CD1-CZ 3.79Å; Y470-F714 HydrophobicContact CD1-CZ 3.79Å; Y470-F714 HydrophobicContact CE1-CZ 4.02Å; Y470-K715 HydrophobicContact CE1-CB 4.06Å; Y470-K715 HydrophobicContact CE1-CG 3.83Å |
| 471 | P | 96.1 | Very high | 90.2 | Very high | 6 Ų | 6 | 39.6 Ų | 39.6 | 4% | 0.039 | 20% | 0.202 | C | C | . | . | trans | -72 | 150 | 173.4 | 31.7 | -36.8 | 0 | 0 | 0 | 111.9 | I475 I476 T521 I524 F608 | P471-I475 HydrophobicContact CB-CG2 3.65Å; P471-I476 HydrophobicContact CB-CD1 4.2Å; P471-I476 HydrophobicContact CB-CG1 3.88Å; P471-I476 HydrophobicContact CG-CD1 4.34Å; P471-I476 HydrophobicContact CG-CG1 4.37Å; P471-T521 HydrophobicContact CB-CG2 3.66Å; P471-T521 HydrophobicContact CG-CG2 4.3Å; P471-I524 HydrophobicContact CG-CB 4.4Å; P471-I524 HydrophobicContact CG-CD1 3.57Å; P471-I524 HydrophobicContact CG-CG2 4.17Å; P471-F608 HydrophobicContact CG-CE1 4.23Å | ||
| 472 | T | 96.5 | Very high | 90.4 | Very high | 13 Ų | 13 | 37.6 Ų | 37.6 | 8% | 0.08 | 19% | 0.192 | C | C | . | . | trans | -111.8 | 171.1 | 173.4 | 62.7 | 0 | 0 | 0 | 0 | 111 | E474 I475 I476 Q681 | T472-E474 PolarHBondContact O-N 3.09Å; T472-E474 VanDerWaalsContact O-N 3.09Å; T472-E474 PolarHBondContact OG1-N 3.17Å; T472-I475 WeakPolarHBondContact O-CG2 3.38Å; T472-I475 PolarHBondContact O-N 3.01Å; T472-I475 VanDerWaalsContact O-N 3.16Å; T472-I476 WeakPolarHBondContact O-CB 3.39Å; T472-I476 WeakPolarHBondContact O-CD1 3.32Å; T472-I476 WeakPolarHBondContact O-CG1 3.48Å; T472-I476 PolarHBondContact O-N 3.19Å; T472-Q681 HydrophobicContact CG2-CG 4.44Å | ||
| 473 | E | 94.6 | Very high | 90.3 | Very high | 29 Ų | 29 | 32.4 Ų | 32.4 | 14% | 0.136 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -48.8 | -30.8 | 170.5 | 60.9 | -84.6 | -167.5 | 0 | 0 | 113.7 | V635 H636 V637 R638 | E473-V635 VanDerWaalsContact CG-O 3.24Å; E473-V635 WeakPolarHBondContact CG-O 3.41Å; E473-H636 IonicContact OE1-CE1 3.84Å; E473-H636 IonicContact OE1-CG 2.74Å; E473-H636 IonicContact OE1-ND1 2.84Å; E473-H636 PolarHBondContact OE1-ND1 2.8Å; E473-H636 WeakPolarHBondContact OE2-CA 3.28Å; E473-V637 PolarHBondContact OE2-N 3.45Å; E473-R638 VanDerWaalsContact CD-NH1 3.29Å; E473-R638 IonicContact OE1-CZ 3.28Å; E473-R638 IonicContact OE1-NH1 3.08Å; E473-R638 PolarHBondContact OE1-NH1 2.97Å; E473-R638 VanDerWaalsContact OE1-NH1 3.07Å; E473-R638 IonicContact OE1-NH2 2.89Å; E473-R638 PolarHBondContact OE1-NH2 3.38Å; E473-R638 IonicContact OE2-CZ 2.75Å; E473-R638 IonicContact OE2-NH1 3.42Å; E473-R638 PolarHBondContact OE2-NH1 3.18Å |
| 474 | E | 91.5 | Very high | 89.9 | Confident | 123 Ų | 123 | 32.1 Ų | 32.1 | 58% | 0.575 | 16% | 0.162 | S | C | * | . | H | α-helix | trans | -68.5 | -40.8 | -178.1 | -64.9 | 179.4 | 173.2 | 0 | 0 | 111.7 | T472 K688 | T472-E474 PolarHBondContact O-N 3.09Å; T472-E474 VanDerWaalsContact O-N 3.09Å; T472-E474 PolarHBondContact OG1-N 3.17Å; E474-K688 IonicContact OE1-NZ 3.4Å; E474-K688 PolarHBondContact OE1-NZ 2.78Å; E474-K688 IonicContact OE2-NZ 3.15Å; E474-K688 PolarHBondContact OE2-NZ 3.47Å |
| 475 | I | 92.8 | Very high | 88.9 | Confident | 33 Ų | 33 | 34.7 Ų | 34.7 | 17% | 0.169 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -91.9 | -33.8 | -178.2 | -167.1 | 170.2 | 0 | 0 | 0 | 112.7 | P471 T472 W477 D478 V482 L518 T521 | P471-I475 HydrophobicContact CB-CG2 3.65Å; T472-I475 WeakPolarHBondContact O-CG2 3.38Å; T472-I475 PolarHBondContact O-N 3.01Å; T472-I475 VanDerWaalsContact O-N 3.16Å; I475-W477 PolarHBondContact O-N 3.21Å; I475-D478 PolarHBondContact O-N 2.98Å; I475-V482 HydrophobicContact CG1-CG2 4.32Å; I475-V482 WeakPolarHBondContact O-CG2 3.45Å; I475-L518 HydrophobicContact CD1-CD2 3.73Å; I475-L518 HydrophobicContact CG1-CD2 4.23Å; I475-T521 HydrophobicContact CG1-CG2 4.5Å; I475-T521 HydrophobicContact CG2-CG2 4.15Å |
| 476 | I | 93.1 | Very high | 87.7 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -58.3 | -40.4 | 179.8 | -72.1 | 169.4 | 0 | 0 | 0 | 110.7 | P471 T472 T521 R525 I528 V637 | P471-I476 HydrophobicContact CB-CD1 4.2Å; P471-I476 HydrophobicContact CB-CG1 3.88Å; P471-I476 HydrophobicContact CG-CD1 4.34Å; P471-I476 HydrophobicContact CG-CG1 4.37Å; T472-I476 WeakPolarHBondContact O-CB 3.39Å; T472-I476 WeakPolarHBondContact O-CD1 3.32Å; T472-I476 WeakPolarHBondContact O-CG1 3.48Å; T472-I476 PolarHBondContact O-N 3.19Å; I476-T521 HydrophobicContact CB-CG2 4.49Å; I476-T521 HydrophobicContact CG1-CG2 3.85Å; I476-R525 HydrophobicContact CG2-CB 3.86Å; I476-R525 HydrophobicContact CG2-CG 3.83Å; I476-R525 WeakPolarHBondContact O-CD 3.39Å; I476-I528 HydrophobicContact CD1-CD1 3.96Å; I476-V637 HydrophobicContact CD1-CB 3.99Å; I476-V637 HydrophobicContact CD1-CG1 3.78Å; I476-V637 HydrophobicContact CD1-CG2 4.03Å |
| 477 | W | 90.2 | Very high | 86.5 | Confident | 29 Ų | 29 | 37.4 Ų | 37.4 | 11% | 0.11 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | 12.3 | -174.8 | -51.4 | 118.3 | 0 | 0 | 0 | 113.8 | I475 E479 R525 E529 F628 K629 V634 | I475-W477 PolarHBondContact O-N 3.21Å; W477-E479 PolarHBondContact O-N 3.16Å; W477-R525 HydrophobicContact CE3-CG 4.35Å; W477-R525 HydrophobicContact CH2-CG 3.96Å; W477-R525 HydrophobicContact CZ3-CG 3.73Å; W477-R525 VanDerWaalsContact CZ3-NE 3.25Å; W477-E529 HydrophobicContact CH2-CG 4.04Å; W477-E529 HydrophobicContact CZ3-CG 4.41Å; W477-F628 AromaticContact CH2-CD1 3.21Å; W477-F628 HydrophobicContact CH2-CD1 3.21Å; W477-F628 AromaticContact CH2-CE1 3.33Å; W477-F628 HydrophobicContact CH2-CE1 3.33Å; W477-F628 HydrophobicContact CH2-CG 4.26Å; W477-F628 HydrophobicContact CH2-CZ 4.44Å; W477-F628 AromaticContact CZ2-CD1 3.9Å; W477-F628 HydrophobicContact CZ2-CD1 3.9Å; W477-F628 AromaticContact CZ2-CE1 3.61Å; W477-F628 HydrophobicContact CZ2-CE1 3.61Å; W477-F628 AromaticContact CZ3-CD1 3.7Å; W477-F628 HydrophobicContact CZ3-CD1 3.7Å; W477-F628 HydrophobicContact CZ3-CE1 4.27Å; W477-K629 HydrophobicContact CB-CD 4.44Å; W477-V634 HydrophobicContact CZ2-CB 4.38Å; W477-V634 HydrophobicContact CZ2-CG2 4.22Å |
| 478 | D | 87 | Confident | 85.2 | Confident | 26 Ų | 26 | 36.1 Ų | 36.1 | 14% | 0.139 | 18% | 0.176 | C | C | . | . | trans | -88 | 93.4 | 172.6 | -171 | 5.1 | 0 | 0 | 0 | 111.4 | K302 Q306 I475 N480 V481 V482 | K302-D478 IonicContact NZ-OD1 2.62Å; K302-D478 PolarHBondContact NZ-OD1 2.99Å; K302-D478 IonicContact NZ-OD2 2.96Å; Q306-D478 PolarHBondContact NE2-OD2 3.4Å; I475-D478 PolarHBondContact O-N 2.98Å; D478-N480 PolarHBondContact O-N 3.43Å; D478-N480 PolarHBondContact OD1-N 3.2Å; D478-V481 PolarHBondContact O-N 3.21Å; D478-V482 PolarHBondContact O-N 2.98Å | ||
| 479 | E | 83.4 | Confident | 84 | Confident | 96 Ų | 96 | 36 Ų | 36 | 45% | 0.449 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -21.1 | -178.7 | -68.5 | 178.6 | -155.8 | 0 | 0 | 114.6 | W477 V481 P483 | W477-E479 PolarHBondContact O-N 3.16Å; E479-V481 VanDerWaalsContact C-N 3.31Å; E479-P483 VanDerWaalsContact O-CA 3.28Å; E479-P483 WeakPolarHBondContact O-CA 3.34Å |
| 480 | N | 82.1 | Confident | 82.9 | Confident | 40 Ų | 40 | 39.3 Ų | 39.3 | 21% | 0.214 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -25.7 | 177.7 | -71.4 | -6.3 | 0 | 0 | 0 | 112.9 | K302 Q306 D478 | K302-N480 WeakPolarHBondContact CD-ND2 3.32Å; Q306-N480 PolarHBondContact OE1-ND2 2.84Å; Q306-N480 VanDerWaalsContact OE1-ND2 3.11Å; D478-N480 PolarHBondContact O-N 3.43Å; D478-N480 PolarHBondContact OD1-N 3.2Å |
| 481 | V | 84.3 | Confident | 82 | Confident | 26 Ų | 26 | 43.6 Ų | 43.6 | 16% | 0.158 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.4 | -32.3 | -173.6 | -168.7 | 0 | 0 | 0 | 0 | 111 | D478 E479 P483 L495 L518 F1136 | D478-V481 PolarHBondContact O-N 3.21Å; E479-V481 VanDerWaalsContact C-N 3.31Å; V481-P483 VanDerWaalsContact C-CD 3.46Å; V481-P483 WeakPolarHBondContact O-CD 3.48Å; V481-L495 HydrophobicContact CG1-CD2 4.27Å; V481-L518 HydrophobicContact CG1-CD1 3.58Å; V481-L518 HydrophobicContact CG1-CD2 3.48Å; V481-L518 VanDerWaalsContact CG1-CD2 3.48Å; V481-L518 HydrophobicContact CG1-CG 4.16Å; V481-F1136 WeakPolarHBondContact O-CE1 3.5Å; V481-F1136 WeakPolarHBondContact O-CZ 3.48Å |
| 482 | V | 87.7 | Confident | 81.6 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -118.8 | 77.4 | 169.8 | -171.8 | 0 | 0 | 0 | 0 | 108.3 | I475 D478 L518 T521 Y522 | I475-V482 HydrophobicContact CG1-CG2 4.32Å; I475-V482 WeakPolarHBondContact O-CG2 3.45Å; D478-V482 PolarHBondContact O-N 2.98Å; V482-L518 HydrophobicContact CG2-CD2 4.02Å; V482-T521 HydrophobicContact CG2-CG2 3.85Å; V482-Y522 HydrophobicContact CG1-CD2 4.14Å |
| 483 | P | 83.9 | Confident | 81.3 | Confident | 8 Ų | 8 | 43.5 Ų | 43.5 | 5% | 0.052 | 22% | 0.216 | C | C | . | . | trans | -59.4 | 148.8 | -179.8 | -22.7 | 34.6 | 0 | 0 | 0 | 111.3 | E479 V481 L493 N1133 A1135 | E479-P483 VanDerWaalsContact O-CA 3.28Å; E479-P483 WeakPolarHBondContact O-CA 3.34Å; V481-P483 VanDerWaalsContact C-CD 3.46Å; V481-P483 WeakPolarHBondContact O-CD 3.48Å; P483-L493 HydrophobicContact CG-CD1 3.86Å; P483-L493 HydrophobicContact CG-CD2 3.96Å; P483-N1133 PolarHBondContact O-ND2 2.77Å; P483-A1135 HydrophobicContact CB-CB 3.96Å; P483-A1135 HydrophobicContact CG-CB 3.7Å | ||
| 484 | D | 76.4 | Confident | 81 | Confident | 47 Ų | 47 | 43 Ų | 43 | 25% | 0.251 | 22% | 0.217 | S | C | . | . | trans | -60.4 | 168.6 | 170.7 | -70.5 | -19.1 | 0 | 0 | 0 | 111.6 | Y486 R525 | D484-Y486 PolarHBondContact O-N 3.24Å; D484-R525 IonicContact OD1-CZ 2.73Å; D484-R525 IonicContact OD1-NH1 2.78Å; D484-R525 PolarHBondContact OD1-NH1 3.24Å; D484-R525 IonicContact OD1-NH2 3.56Å; D484-R525 PolarHBondContact OD1-NH2 3.38Å | ||
| 485 | E | 68 | Low | 81 | Confident | 61 Ų | 61 | 37.4 Ų | 37.4 | 29% | 0.285 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -53.5 | -28.4 | -179.1 | -165.8 | 175 | 169.7 | 0 | 0 | 113.6 | Y487 Y522 H1223 | E485-Y487 PolarHBondContact O-N 3.24Å; E485-Y522 WeakPolarHBondContact CB-OH 3.23Å; E485-H1223 IonicContact OE1-CD2 3.7Å; E485-H1223 PolarHBondContact OE1-CD2 2.68Å; E485-H1223 VanDerWaalsContact OE1-CD2 3.24Å; E485-H1223 IonicContact OE1-NE2 3.38Å |
| 486 | Y | 65.2 | Low | 80.9 | Confident | 154 Ų | 154 | 36.7 Ų | 36.7 | 60% | 0.604 | 19% | 0.187 | S | C | * | . | trans | -92.1 | 70.6 | -177.4 | -58.1 | -75.6 | 0 | 0 | 0 | 112.6 | D484 H1223 | D484-Y486 PolarHBondContact O-N 3.24Å; Y486-H1223 AromaticContact CE1-CE1 3.81Å; Y486-H1223 AromaticContact CE1-NE2 3.53Å; Y486-H1223 AromaticContact CZ-NE2 3.73Å; Y486-H1223 PolarHBondContact OH-NE2 2.91Å | ||
| 487 | Y | 68.1 | Low | 80.8 | Confident | 11 Ų | 11 | 38.7 Ų | 38.7 | 4% | 0.043 | 20% | 0.196 | C | C | . | . | trans | -92.4 | 115.9 | 168.7 | -178.3 | -108.9 | 0 | 0 | 0 | 111.9 | E485 E491 L493 A1135 Y1139 | E485-Y487 PolarHBondContact O-N 3.24Å; Y487-E491 HydrophobicContact CE2-CB 4.17Å; Y487-E491 PolarHBondContact OH-O 2.85Å; Y487-L493 HydrophobicContact CD2-CD1 3.85Å; Y487-L493 HydrophobicContact CE1-CD1 4.39Å; Y487-L493 HydrophobicContact CE2-CD1 3.43Å; Y487-L493 VanDerWaalsContact CE2-CD1 3.43Å; Y487-L493 HydrophobicContact CE2-CD2 4.26Å; Y487-L493 HydrophobicContact CE2-CG 3.8Å; Y487-L493 HydrophobicContact CG-CD1 4.49Å; Y487-A1135 HydrophobicContact CD1-CB 3.89Å; Y487-A1135 HydrophobicContact CD2-CB 4.22Å; Y487-A1135 HydrophobicContact CG-CB 3.7Å; Y487-Y1139 HydrophobicContact CE1-CD2 4.42Å; Y487-Y1139 HydrophobicContact CE1-CG 4.48Å; Y487-Y1139 WeakPolarHBondContact OH-CD2 3.26Å | ||
| 488 | G | 63.7 | Low | 80.9 | Confident | 18 Ų | 18 | 37.5 Ų | 37.5 | 19% | 0.186 | 19% | 0.192 | C | C | . | . | trans | -80.1 | -11.2 | -174.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | R7 D490 | R7-G488 PolarHBondContact NH1-O 3.17Å; R7-G488 PolarHBondContact NH2-O 3.45Å; G488-D490 WeakPolarHBondContact CA-OD1 3.47Å; G488-D490 PolarHBondContact O-N 3.26Å | ||
| 489 | G | 69.4 | Low | 80.8 | Confident | 19 Ų | 19 | 37.6 Ų | 37.6 | 20% | 0.196 | 20% | 0.199 | C | C | . | . | S | Bend | trans | 80.9 | -8.4 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 490 | D | 69.6 | Low | 80.9 | Confident | 72 Ų | 72 | 33.8 Ų | 33.8 | 39% | 0.385 | 18% | 0.182 | S | C | . | . | trans | -95.5 | -12.9 | -174.8 | 52.4 | -22.8 | 0 | 0 | 0 | 114.1 | R7 R259 G488 | R7-D490 IonicContact NH2-OD1 2.74Å; R7-D490 PolarHBondContact NH2-OD1 3.25Å; R7-D490 IonicContact NH2-OD2 3.91Å; R7-D490 PolarHBondContact NH2-OD2 3.26Å; R259-D490 PolarHBondContact NH2-O 3.35Å; G488-D490 WeakPolarHBondContact CA-OD1 3.47Å; G488-D490 PolarHBondContact O-N 3.26Å | ||
| 491 | E | 79.4 | Confident | 81.3 | Confident | 105 Ų | 105 | 32.9 Ų | 32.9 | 49% | 0.491 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -97 | 148.3 | 178.3 | -64.7 | -179.3 | 164.8 | 0 | 0 | 111.9 | R259 Y487 | R259-E491 PolarHBondContact NH2-O 3.32Å; R259-E491 VanDerWaalsContact NH2-O 3.08Å; Y487-E491 HydrophobicContact CE2-CB 4.17Å; Y487-E491 PolarHBondContact OH-O 2.85Å |
| 492 | C | 86.8 | Confident | 81.7 | Confident | 8 Ų | 8 | 31.6 Ų | 31.6 | 5% | 0.054 | 17% | 0.169 | C | C | . | . | trans | -78.7 | 144.8 | 172.3 | -173 | 0 | 0 | 0 | 0 | 108.8 | E258 L303 | E258-C492 HydrophobicContact CB-CB 4.32Å; L303-C492 HydrophobicContact CD2-CB 4.16Å; L303-C492 WeakPolarHBondContact CD2-O 3.36Å | ||
| 493 | L | 90 | Very high | 82 | Confident | 9 Ų | 9 | 31.6 Ų | 31.6 | 5% | 0.047 | 17% | 0.169 | C | C | . | . | trans | -132.6 | 147 | 176.8 | -62.9 | 174.3 | 0 | 0 | 0 | 109.8 | P483 Y487 L495 A1135 Y1139 | P483-L493 HydrophobicContact CG-CD1 3.86Å; P483-L493 HydrophobicContact CG-CD2 3.96Å; Y487-L493 HydrophobicContact CD2-CD1 3.85Å; Y487-L493 HydrophobicContact CE1-CD1 4.39Å; Y487-L493 HydrophobicContact CE2-CD1 3.43Å; Y487-L493 VanDerWaalsContact CE2-CD1 3.43Å; Y487-L493 HydrophobicContact CE2-CD2 4.26Å; Y487-L493 HydrophobicContact CE2-CG 3.8Å; Y487-L493 HydrophobicContact CG-CD1 4.49Å; L493-L495 HydrophobicContact CB-CB 4.37Å; L493-L495 HydrophobicContact CB-CD1 3.91Å; L493-L495 HydrophobicContact CB-CG 3.92Å; L493-L495 HydrophobicContact CD1-CD1 3.66Å; L493-L495 HydrophobicContact CG-CD1 4.41Å; L493-L495 PolarHBondContact O-N 2.87Å; L493-A1135 HydrophobicContact CD1-CB 3.74Å; L493-Y1139 HydrophobicContact CB-CD1 4.05Å; L493-Y1139 HydrophobicContact CB-CE1 3.82Å; L493-Y1139 HydrophobicContact CB-CG 4.5Å; L493-Y1139 HydrophobicContact CD1-CD1 4.23Å; L493-Y1139 HydrophobicContact CD1-CG 4.11Å; L493-Y1139 PolarHBondContact O-OH 3.16Å; L493-Y1139 VanDerWaalsContact O-OH 3.05Å | ||
| 494 | A | 89.4 | Confident | 82.3 | Confident | 19 Ų | 19 | 31.6 Ų | 31.6 | 16% | 0.157 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -83.7 | 57.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | L303 Q306 L307 | L303-A494 HydrophobicContact CD1-CB 3.82Å; Q306-A494 HydrophobicContact CB-CB 3.52Å; L307-A494 HydrophobicContact CD2-CB 4.15Å; L307-A494 HydrophobicContact CG-CB 4.37Å |
| 495 | L | 90.9 | Very high | 83 | Confident | 4 Ų | 4 | 30 Ų | 30 | 2% | 0.021 | 16% | 0.16 | C | C | . | . | trans | -119.7 | 145.2 | -176.2 | -63.5 | 176.2 | 0 | 0 | 0 | 111.7 | V481 L493 L518 F1136 Y1139 | V481-L495 HydrophobicContact CG1-CD2 4.27Å; L493-L495 HydrophobicContact CB-CB 4.37Å; L493-L495 HydrophobicContact CB-CD1 3.91Å; L493-L495 HydrophobicContact CB-CG 3.92Å; L493-L495 HydrophobicContact CD1-CD1 3.66Å; L493-L495 HydrophobicContact CG-CD1 4.41Å; L493-L495 PolarHBondContact O-N 2.87Å; L495-L518 HydrophobicContact CD2-CD1 3.45Å; L495-L518 VanDerWaalsContact CD2-CD1 3.45Å; L495-F1136 HydrophobicContact CD1-CD1 3.78Å; L495-F1136 HydrophobicContact CD1-CE1 3.63Å; L495-F1136 HydrophobicContact CD2-CE1 3.89Å; L495-F1136 HydrophobicContact CG-CE1 4.43Å; L495-Y1139 HydrophobicContact CB-CD1 3.96Å; L495-Y1139 HydrophobicContact CB-CE1 3.96Å; L495-Y1139 HydrophobicContact CD1-CD1 4.28Å | ||
| 496 | N | 90.5 | Very high | 84.1 | Confident | 18 Ų | 18 | 29.3 Ų | 29.3 | 10% | 0.096 | 16% | 0.155 | C | C | . | . | trans | -66.6 | 142.2 | 172.2 | -75.2 | -25.2 | 0 | 0 | 0 | 110.8 | Y314 R511 N514 L515 S1140 | Y314-N496 PolarHBondContact OH-OD1 3.45Å; N496-R511 HydrophobicContact CB-CB 4.13Å; N496-R511 HydrophobicContact CB-CG 3.98Å; N496-N514 PolarHBondContact ND2-ND2 2.96Å; N496-N514 VanDerWaalsContact ND2-ND2 3.18Å; N496-L515 HydrophobicContact CB-CG 4.32Å; N496-S1140 WeakPolarHBondContact O-CB 3.44Å; N496-S1140 PolarHBondContact O-OG 3Å | ||
| 497 | K | 91.4 | Very high | 85.5 | Confident | 43 Ų | 43 | 22 Ų | 22 | 19% | 0.187 | 13% | 0.126 | C | C | . | . | trans | -106.2 | 135 | 173.9 | -61.8 | 172.5 | -175.9 | 161 | 0 | 110.3 | E262 D266 G499 R511 Y1139 | E262-K497 WeakPolarHBondContact OE1-CE 3.39Å; E262-K497 IonicContact OE1-NZ 2.85Å; E262-K497 PolarHBondContact OE1-NZ 3.46Å; D266-K497 IonicContact OD1-NZ 3.59Å; D266-K497 PolarHBondContact OD1-NZ 3.39Å; D266-K497 IonicContact OD2-NZ 3.39Å; D266-K497 PolarHBondContact OD2-NZ 2.93Å; K497-G499 PolarHBondContact O-N 3.11Å; K497-R511 WeakPolarHBondContact O-CD 3.16Å; K497-R511 PolarHBondContact O-NH1 3.16Å; K497-Y1139 HydrophobicContact CG-CE1 4.44Å | ||
| 498 | L | 91.4 | Very high | 86.7 | Confident | 4 Ų | 4 | 21.6 Ų | 21.6 | 2% | 0.021 | 13% | 0.125 | C | C | . | . | trans | -87.3 | 100.3 | 168.4 | -59.2 | -174 | 0 | 0 | 0 | 109 | F502 R511 L515 S1140 N1141 | L498-F502 HydrophobicContact CD2-CE1 3.97Å; L498-F502 HydrophobicContact CD2-CZ 4.17Å; L498-R511 HydrophobicContact CD2-CB 3.89Å; L498-L515 HydrophobicContact CD1-CD1 4.04Å; L498-L515 HydrophobicContact CD2-CD1 3.84Å; L498-L515 HydrophobicContact CG-CD1 3.58Å; L498-S1140 PolarHBondContact N-O 3.27Å; L498-N1141 PolarHBondContact O-ND2 2.94Å | ||
| 499 | G | 85.6 | Confident | 88.2 | Confident | 28 Ų | 28 | 20.9 Ų | 20.9 | 29% | 0.289 | 12% | 0.116 | S | C | . | . | trans | -92.9 | -169.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | K497 R1149 | K497-G499 PolarHBondContact O-N 3.11Å; G499-R1149 VanDerWaalsContact O-CD 3.23Å; G499-R1149 WeakPolarHBondContact O-CD 3.42Å | ||
| 500 | L | 84.7 | Confident | 89.4 | Confident | 16 Ų | 16 | 20.6 Ų | 20.6 | 8% | 0.084 | 11% | 0.11 | C | C | . | . | S | Bend | trans | -77.9 | -27.7 | 171.8 | -67.4 | -176.8 | 0 | 0 | 0 | 112.4 | V153 R1149 R1152 L1153 | V153-L500 HydrophobicContact CG1-CB 3.52Å; V153-L500 HydrophobicContact CG1-CD1 4.29Å; V153-L500 HydrophobicContact CG1-CG 4.5Å; L500-R1149 HydrophobicContact CD2-CG 3.93Å; L500-R1149 PolarHBondContact O-NH1 3.28Å; L500-R1152 HydrophobicContact CD2-CB 3.74Å; L500-L1153 HydrophobicContact CB-CD2 4.03Å |
| 501 | Q | 90.5 | Very high | 90.6 | Very high | 20 Ų | 20 | 17.6 Ų | 17.6 | 9% | 0.093 | 9% | 0.094 | C | C | . | . | trans | -119.9 | 151.1 | -178.3 | -84.6 | 174.2 | 3.3 | 0 | 0 | 112.3 | V153 L270 L740 G741 Y742 | V153-Q501 HydrophobicContact CG1-CB 3.9Å; V153-Q501 HydrophobicContact CG1-CG 3.37Å; V153-Q501 HydrophobicContact CG2-CG 4.5Å; L270-Q501 HydrophobicContact CD2-CB 4.37Å; Q501-L740 VanDerWaalsContact CA-O 3.22Å; Q501-L740 WeakPolarHBondContact CA-O 3.45Å; Q501-G741 WeakPolarHBondContact CG-O 3.35Å; Q501-G741 PolarHBondContact NE2-O 3.32Å; Q501-Y742 HydrophobicContact CB-CE1 4.14Å; Q501-Y742 VanDerWaalsContact CD-CE1 3.47Å; Q501-Y742 HydrophobicContact CG-CD1 4.02Å; Q501-Y742 HydrophobicContact CG-CE1 3.72Å | ||
| 502 | F | 93.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 7% | 0.072 | C | C | . | . | trans | -135.4 | 143.2 | 175.2 | -60.6 | -86.6 | 0 | 0 | 0 | 109.7 | L498 T504 Y508 L740 Y742 | L498-F502 HydrophobicContact CD2-CE1 3.97Å; L498-F502 HydrophobicContact CD2-CZ 4.17Å; F502-T504 VanDerWaalsContact C-N 3.35Å; F502-T504 PolarHBondContact O-N 3.04Å; F502-Y508 HydrophobicContact CD1-CD2 4.03Å; F502-Y508 AromaticContact CD2-CD2 3.73Å; F502-Y508 HydrophobicContact CD2-CD2 3.73Å; F502-Y508 HydrophobicContact CD2-CG 4.49Å; F502-Y508 AromaticContact CE1-CD2 3.89Å; F502-Y508 HydrophobicContact CE1-CD2 3.89Å; F502-Y508 AromaticContact CE2-CD2 3.6Å; F502-Y508 HydrophobicContact CE2-CD2 3.6Å; F502-Y508 HydrophobicContact CE2-CE2 4.05Å; F502-Y508 AromaticContact CG-CD2 3.95Å; F502-Y508 HydrophobicContact CG-CD2 3.95Å; F502-Y508 HydrophobicContact CG-CG 4.45Å; F502-Y508 AromaticContact CZ-CD2 3.68Å; F502-Y508 HydrophobicContact CZ-CD2 3.68Å; F502-Y508 HydrophobicContact CZ-CE2 4.1Å; F502-L740 HydrophobicContact CB-CD2 4.19Å; F502-L740 PolarHBondContact N-O 3.43Å; F502-L740 VanDerWaalsContact N-O 3.12Å; F502-Y742 WeakPolarHBondContact O-CE2 3.49Å; F502-Y742 VanDerWaalsContact O-CZ 3.26Å; F502-Y742 PolarHBondContact O-OH 3.1Å | ||
| 503 | L | 93 | Very high | 91.7 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 7% | 0.07 | C | C | . | . | S | Bend | trans | -61.1 | -43.6 | -175.1 | -65.9 | 179.4 | 0 | 0 | 0 | 112.2 | S269 L271 Y314 F317 I319 D507 | S269-L503 WeakPolarHBondContact O-CD2 3.35Å; L271-L503 HydrophobicContact CB-CD2 3.98Å; Y314-L503 HydrophobicContact CD1-CD1 4.12Å; F317-L503 HydrophobicContact CB-CD1 4.27Å; F317-L503 HydrophobicContact CD1-CB 4.42Å; F317-L503 HydrophobicContact CD1-CD1 4Å; F317-L503 HydrophobicContact CD2-CD1 4.25Å; F317-L503 HydrophobicContact CE1-CB 4.25Å; F317-L503 HydrophobicContact CG-CD1 3.88Å; I319-L503 HydrophobicContact CD1-CB 4.06Å; I319-L503 WeakPolarHBondContact CD1-O 3.47Å; L503-D507 HydrophobicContact CB-CB 4.04Å; L503-D507 PolarHBondContact N-OD2 3.02Å |
| 504 | T | 91.9 | Very high | 92 | Very high | 8 Ų | 8 | 13.8 Ų | 13.8 | 5% | 0.049 | 8% | 0.076 | C | C | . | . | S | Bend | trans | -150.4 | 171.1 | 180 | 62.3 | 0 | 0 | 0 | 0 | 109.7 | F317 I319 A326 F502 Y506 D507 Y508 L740 | F317-T504 HydrophobicContact CE1-CG2 3.92Å; F317-T504 WeakPolarHBondContact CE1-OG1 3.36Å; F317-T504 WeakPolarHBondContact CZ-OG1 3.34Å; I319-T504 HydrophobicContact CB-CG2 4.33Å; I319-T504 HydrophobicContact CD1-CG2 3.81Å; I319-T504 HydrophobicContact CG1-CG2 4.03Å; A326-T504 HydrophobicContact CB-CG2 3.79Å; F502-T504 VanDerWaalsContact C-N 3.35Å; F502-T504 PolarHBondContact O-N 3.04Å; T504-Y506 PolarHBondContact O-N 3.19Å; T504-Y506 PolarHBondContact OG1-N 2.87Å; T504-D507 WeakPolarHBondContact O-CB 3.31Å; T504-D507 PolarHBondContact O-N 3.3Å; T504-D507 PolarHBondContact OG1-N 2.74Å; T504-Y508 PolarHBondContact O-N 3.4Å; T504-L740 VanDerWaalsContact C-CD2 3.45Å |
| 505 | M | 91 | Very high | 92.2 | Very high | 14 Ų | 14 | 13 Ų | 13 | 7% | 0.069 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -60 | -31.7 | 169.9 | -72.1 | -61.1 | 161.6 | 0 | 0 | 112 | Y508 L509 V731 H736 L739 L740 F1100 | M505-Y508 WeakPolarHBondContact O-CB 3.36Å; M505-Y508 PolarHBondContact O-N 3.33Å; M505-L509 VanDerWaalsContact O-CG 3.29Å; M505-L509 WeakPolarHBondContact O-CG 3.42Å; M505-L509 PolarHBondContact O-N 3.31Å; M505-V731 HydrophobicContact CE-CG2 4.09Å; M505-H736 VanDerWaalsContact CE-O 3.28Å; M505-H736 WeakPolarHBondContact CE-O 3.38Å; M505-L739 HydrophobicContact CE-CB 3.63Å; M505-L739 HydrophobicContact CE-CD1 4.15Å; M505-L740 HydrophobicContact CE-CD1 4.35Å; M505-L740 HydrophobicContact CE-CD2 3.58Å; M505-L740 HydrophobicContact CE-CG 3.59Å; M505-L740 HydrophobicContact CG-CD2 4.23Å; M505-L740 HydrophobicContact SD-CD2 3.82Å; M505-L740 HydrophobicContact SD-CG 4.46Å; M505-F1100 HydrophobicContact SD-CZ 4.42Å |
| 506 | Y | 90.6 | Very high | 92.4 | Very high | 45 Ų | 45 | 13.9 Ų | 13.9 | 18% | 0.176 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -66.3 | -44.5 | 175.1 | -175.7 | -84.2 | 0 | 0 | 0 | 111.9 | F317 Q460 L461 I464 T504 Y508 L509 L510 M725 | F317-Y506 HydrophobicContact CE2-CD1 4.4Å; F317-Y506 AromaticContact CZ-CD1 3.97Å; F317-Y506 HydrophobicContact CZ-CD1 3.97Å; Q460-Y506 HydrophobicContact CB-CE1 4.23Å; Q460-Y506 WeakPolarHBondContact CB-OH 3.21Å; L461-Y506 PolarHBondContact N-OH 3.02Å; I464-Y506 VanDerWaalsContact CD1-OH 3.27Å; I464-Y506 WeakPolarHBondContact CD1-OH 3.35Å; T504-Y506 PolarHBondContact O-N 3.19Å; T504-Y506 PolarHBondContact OG1-N 2.87Å; Y506-Y508 VanDerWaalsContact C-N 3.32Å; Y506-Y508 PolarHBondContact O-N 2.88Å; Y506-L509 PolarHBondContact O-N 3.49Å; Y506-L510 HydrophobicContact CE1-CB 4.35Å; Y506-L510 HydrophobicContact CE1-CD2 4.07Å; Y506-L510 VanDerWaalsContact O-CB 3.3Å; Y506-L510 WeakPolarHBondContact O-CB 3.45Å; Y506-L510 PolarHBondContact O-N 3.39Å; Y506-M725 HydrophobicContact CD1-CE 4.39Å; Y506-M725 HydrophobicContact CD2-CE 3.8Å; Y506-M725 HydrophobicContact CE1-CE 3.86Å; Y506-M725 HydrophobicContact CE2-CB 4.28Å; Y506-M725 HydrophobicContact CE2-CE 3.22Å; Y506-M725 HydrophobicContact CG-CE 4.35Å; Y506-M725 WeakPolarHBondContact OH-CE 3.37Å |
| 507 | D | 93.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -57.5 | -47.5 | 174 | -178.8 | 29.9 | 0 | 0 | 0 | 110.7 | F317 L503 T504 L509 L510 R511 | F317-D507 HydrophobicContact CE1-CB 4.34Å; F317-D507 HydrophobicContact CE2-CB 3.87Å; F317-D507 HydrophobicContact CZ-CB 3.51Å; L503-D507 HydrophobicContact CB-CB 4.04Å; L503-D507 PolarHBondContact N-OD2 3.02Å; T504-D507 WeakPolarHBondContact O-CB 3.31Å; T504-D507 PolarHBondContact O-N 3.3Å; T504-D507 PolarHBondContact OG1-N 2.74Å; D507-L509 PolarHBondContact O-N 2.9Å; D507-L510 PolarHBondContact O-N 2.72Å; D507-R511 WeakPolarHBondContact O-CG 3.48Å; D507-R511 PolarHBondContact O-N 3.27Å; D507-R511 IonicContact OD1-CZ 2.62Å; D507-R511 IonicContact OD1-NE 3Å; D507-R511 PolarHBondContact OD1-NE 3.17Å; D507-R511 IonicContact OD1-NH2 3.06Å; D507-R511 PolarHBondContact OD1-NH2 3.32Å; D507-R511 IonicContact OD2-CZ 3.01Å; D507-R511 IonicContact OD2-NE 3.06Å; D507-R511 PolarHBondContact OD2-NE 3.36Å; D507-R511 IonicContact OD2-NH2 3.44Å; D507-R511 PolarHBondContact OD2-NH2 3.22Å |
| 508 | Y | 94.9 | Very high | 92.8 | Very high | 4 Ų | 4 | 13.5 Ų | 13.5 | 2% | 0.016 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -55.1 | -50.9 | 176.2 | 172.6 | -107.2 | 0 | 0 | 0 | 112.4 | F502 T504 M505 Y506 N512 E1096 I1097 F1100 | F502-Y508 HydrophobicContact CD1-CD2 4.03Å; F502-Y508 AromaticContact CD2-CD2 3.73Å; F502-Y508 HydrophobicContact CD2-CD2 3.73Å; F502-Y508 HydrophobicContact CD2-CG 4.49Å; F502-Y508 AromaticContact CE1-CD2 3.89Å; F502-Y508 HydrophobicContact CE1-CD2 3.89Å; F502-Y508 AromaticContact CE2-CD2 3.6Å; F502-Y508 HydrophobicContact CE2-CD2 3.6Å; F502-Y508 HydrophobicContact CE2-CE2 4.05Å; F502-Y508 AromaticContact CG-CD2 3.95Å; F502-Y508 HydrophobicContact CG-CD2 3.95Å; F502-Y508 HydrophobicContact CG-CG 4.45Å; F502-Y508 AromaticContact CZ-CD2 3.68Å; F502-Y508 HydrophobicContact CZ-CD2 3.68Å; F502-Y508 HydrophobicContact CZ-CE2 4.1Å; T504-Y508 PolarHBondContact O-N 3.4Å; M505-Y508 WeakPolarHBondContact O-CB 3.36Å; M505-Y508 PolarHBondContact O-N 3.33Å; Y506-Y508 VanDerWaalsContact C-N 3.32Å; Y506-Y508 PolarHBondContact O-N 2.88Å; Y508-N512 WeakPolarHBondContact CE2-ND2 3.29Å; Y508-N512 PolarHBondContact O-N 3.25Å; Y508-N512 PolarHBondContact O-ND2 2.96Å; Y508-E1096 VanDerWaalsContact CE2-CD 3.49Å; Y508-E1096 HydrophobicContact CE2-CG 4.16Å; Y508-E1096 WeakPolarHBondContact CE2-OE1 3.27Å; Y508-E1096 VanDerWaalsContact OH-CG 3.31Å; Y508-E1096 WeakPolarHBondContact OH-CG 3.44Å; Y508-E1096 PolarHBondContact OH-O 3Å; Y508-E1096 PolarHBondContact OH-OE1 3.46Å; Y508-I1097 HydrophobicContact CE1-CD1 4.45Å; Y508-F1100 HydrophobicContact CE1-CB 4.29Å; Y508-F1100 AromaticContact CE1-CD1 3.91Å; Y508-F1100 HydrophobicContact CE1-CD1 3.91Å; Y508-F1100 HydrophobicContact CE1-CD2 4.1Å; Y508-F1100 HydrophobicContact CE1-CE1 4.2Å; Y508-F1100 HydrophobicContact CE1-CE2 4.4Å; Y508-F1100 AromaticContact CE1-CG 3.83Å; Y508-F1100 HydrophobicContact CE1-CG 3.83Å; Y508-F1100 HydrophobicContact CE1-CZ 4.43Å |
| 509 | L | 94.5 | Very high | 92.9 | Very high | 2 Ų | 2 | 13.7 Ų | 13.7 | 1% | 0.01 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -64.5 | -43.2 | 178.9 | -70.9 | 174.2 | 0 | 0 | 0 | 112 | M505 Y506 D507 N512 F513 I721 L724 M725 I1097 F1100 | M505-L509 VanDerWaalsContact O-CG 3.29Å; M505-L509 WeakPolarHBondContact O-CG 3.42Å; M505-L509 PolarHBondContact O-N 3.31Å; Y506-L509 PolarHBondContact O-N 3.49Å; D507-L509 PolarHBondContact O-N 2.9Å; L509-N512 PolarHBondContact O-N 3.24Å; L509-F513 WeakPolarHBondContact O-CB 3.4Å; L509-F513 PolarHBondContact O-N 3.14Å; L509-I721 HydrophobicContact CB-CG2 4.34Å; L509-I721 HydrophobicContact CD2-CG2 4.35Å; L509-L724 HydrophobicContact CD1-CB 4Å; L509-L724 HydrophobicContact CD2-CB 4.35Å; L509-L724 HydrophobicContact CD2-CD1 4.3Å; L509-M725 HydrophobicContact CB-CG 3.69Å; L509-M725 HydrophobicContact CB-SD 4.11Å; L509-M725 HydrophobicContact CD1-CG 3.81Å; L509-M725 HydrophobicContact CG-CG 4.37Å; L509-I1097 HydrophobicContact CD2-CD1 3.79Å; L509-F1100 HydrophobicContact CD2-CD1 4.2Å; L509-F1100 HydrophobicContact CD2-CE1 3.9Å |
| 510 | L | 93.7 | Very high | 93.3 | Very high | 14 Ų | 14 | 12.5 Ų | 12.5 | 7% | 0.073 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -64 | -43.6 | -179.1 | 178.1 | 59.1 | 0 | 0 | 0 | 112.3 | F313 I464 Y506 D507 N512 F513 N514 M725 | F313-L510 HydrophobicContact CE1-CD2 4.16Å; F313-L510 HydrophobicContact CE2-CD2 3.79Å; F313-L510 HydrophobicContact CZ-CD2 3.3Å; I464-L510 HydrophobicContact CD1-CD1 3.64Å; I464-L510 HydrophobicContact CG1-CD1 4.38Å; Y506-L510 HydrophobicContact CE1-CB 4.35Å; Y506-L510 HydrophobicContact CE1-CD2 4.07Å; Y506-L510 VanDerWaalsContact O-CB 3.3Å; Y506-L510 WeakPolarHBondContact O-CB 3.45Å; Y506-L510 PolarHBondContact O-N 3.39Å; D507-L510 PolarHBondContact O-N 2.72Å; L510-N512 VanDerWaalsContact C-N 3.34Å; L510-N512 PolarHBondContact O-N 3.2Å; L510-F513 PolarHBondContact O-N 2.66Å; L510-N514 WeakPolarHBondContact O-CB 3.31Å; L510-N514 PolarHBondContact O-N 2.77Å; L510-M725 HydrophobicContact CB-CE 3.92Å; L510-M725 HydrophobicContact CD1-CE 4.24Å |
| 511 | R | 95.2 | Very high | 93.8 | Very high | 8 Ų | 8 | 11.8 Ų | 11.8 | 3% | 0.03 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -62.6 | -44.1 | 177.4 | -67.5 | -172.7 | -160.6 | -166 | 11.6 | 111.3 | Y314 N496 K497 L498 D507 N514 L515 | Y314-R511 PolarHBondContact OH-NE 3.38Å; N496-R511 HydrophobicContact CB-CB 4.13Å; N496-R511 HydrophobicContact CB-CG 3.98Å; K497-R511 WeakPolarHBondContact O-CD 3.16Å; K497-R511 PolarHBondContact O-NH1 3.16Å; L498-R511 HydrophobicContact CD2-CB 3.89Å; D507-R511 WeakPolarHBondContact O-CG 3.48Å; D507-R511 PolarHBondContact O-N 3.27Å; D507-R511 IonicContact OD1-CZ 2.62Å; D507-R511 IonicContact OD1-NE 3Å; D507-R511 PolarHBondContact OD1-NE 3.17Å; D507-R511 IonicContact OD1-NH2 3.06Å; D507-R511 PolarHBondContact OD1-NH2 3.32Å; D507-R511 IonicContact OD2-CZ 3.01Å; D507-R511 IonicContact OD2-NE 3.06Å; D507-R511 PolarHBondContact OD2-NE 3.36Å; D507-R511 IonicContact OD2-NH2 3.44Å; D507-R511 PolarHBondContact OD2-NH2 3.22Å; R511-N514 PolarHBondContact O-N 3.33Å; R511-L515 WeakPolarHBondContact O-CB 3.1Å; R511-L515 WeakPolarHBondContact O-CG 3.38Å; R511-L515 PolarHBondContact O-N 3.01Å |
| 512 | N | 95 | Very high | 94 | Very high | 8 Ų | 8 | 11.2 Ų | 11.2 | 4% | 0.043 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -64.3 | -43.9 | 175.7 | -81.3 | -80.8 | 0 | 0 | 0 | 112.1 | Y508 L509 L510 N514 L515 F516 I1097 | Y508-N512 WeakPolarHBondContact CE2-ND2 3.29Å; Y508-N512 PolarHBondContact O-N 3.25Å; Y508-N512 PolarHBondContact O-ND2 2.96Å; L509-N512 PolarHBondContact O-N 3.24Å; L510-N512 VanDerWaalsContact C-N 3.34Å; L510-N512 PolarHBondContact O-N 3.2Å; N512-N514 PolarHBondContact O-N 2.89Å; N512-L515 PolarHBondContact O-N 3.45Å; N512-F516 WeakPolarHBondContact O-CB 3.2Å; N512-F516 PolarHBondContact O-N 2.86Å; N512-I1097 HydrophobicContact CB-CB 3.92Å; N512-I1097 HydrophobicContact CB-CD1 4.24Å; N512-I1097 HydrophobicContact CB-CG1 4.11Å |
| 513 | F | 95.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -55 | -51.8 | 175.8 | -179.3 | -95.7 | 0 | 0 | 0 | 111.1 | I464 M467 L469 L509 L510 R517 L718 I721 R722 | I464-F513 HydrophobicContact CG2-CE1 4.25Å; I464-F513 HydrophobicContact CG2-CE2 4.5Å; I464-F513 HydrophobicContact CG2-CZ 4.14Å; M467-F513 HydrophobicContact SD-CE1 3.74Å; M467-F513 HydrophobicContact SD-CZ 4.3Å; L469-F513 HydrophobicContact CD2-CE2 4Å; L469-F513 HydrophobicContact CD2-CZ 3.76Å; L509-F513 WeakPolarHBondContact O-CB 3.4Å; L509-F513 PolarHBondContact O-N 3.14Å; L510-F513 PolarHBondContact O-N 2.66Å; F513-R517 VanDerWaalsContact O-CB 3.25Å; F513-R517 WeakPolarHBondContact O-CB 3.49Å; F513-R517 PolarHBondContact O-N 2.8Å; F513-L718 HydrophobicContact CD2-CD2 3.81Å; F513-L718 HydrophobicContact CE2-CB 4.06Å; F513-L718 HydrophobicContact CE2-CD2 3.85Å; F513-L718 HydrophobicContact CG-CD2 4.41Å; F513-L718 HydrophobicContact CZ-CD2 4.46Å; F513-I721 HydrophobicContact CB-CG2 3.75Å; F513-I721 HydrophobicContact CD2-CB 4.07Å; F513-I721 HydrophobicContact CD2-CG2 3.96Å; F513-I721 HydrophobicContact CG-CG2 4.33Å; F513-R722 HydrophobicContact CE2-CB 4.3Å |
| 514 | N | 94.6 | Very high | 94 | Very high | 34 Ų | 34 | 13.3 Ų | 13.3 | 18% | 0.182 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -63.1 | -49.5 | -178.7 | -74.5 | -21.2 | 0 | 0 | 0 | 111.7 | N496 L510 R511 N512 R517 L518 | N496-N514 PolarHBondContact ND2-ND2 2.96Å; N496-N514 VanDerWaalsContact ND2-ND2 3.18Å; L510-N514 WeakPolarHBondContact O-CB 3.31Å; L510-N514 PolarHBondContact O-N 2.77Å; R511-N514 PolarHBondContact O-N 3.33Å; N512-N514 PolarHBondContact O-N 2.89Å; N514-R517 PolarHBondContact O-N 2.69Å; N514-L518 VanDerWaalsContact O-CG 3.24Å; N514-L518 WeakPolarHBondContact O-CG 3.38Å; N514-L518 PolarHBondContact O-N 3.28Å |
| 515 | L | 95.3 | Very high | 94.1 | Very high | 2 Ų | 2 | 13.8 Ų | 13.8 | 1% | 0.01 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -66.5 | -41.4 | -177.9 | -70 | 175.4 | 0 | 0 | 0 | 112.6 | N496 L498 R511 N512 R517 L518 E519 F1136 S1140 M1142 | N496-L515 HydrophobicContact CB-CG 4.32Å; L498-L515 HydrophobicContact CD1-CD1 4.04Å; L498-L515 HydrophobicContact CD2-CD1 3.84Å; L498-L515 HydrophobicContact CG-CD1 3.58Å; R511-L515 WeakPolarHBondContact O-CB 3.1Å; R511-L515 WeakPolarHBondContact O-CG 3.38Å; R511-L515 PolarHBondContact O-N 3.01Å; N512-L515 PolarHBondContact O-N 3.45Å; L515-R517 VanDerWaalsContact C-N 3.33Å; L515-R517 PolarHBondContact O-N 3.5Å; L515-L518 PolarHBondContact O-N 3.43Å; L515-E519 WeakPolarHBondContact O-CB 3.49Å; L515-E519 PolarHBondContact O-N 2.85Å; L515-F1136 HydrophobicContact CD2-CD1 4.4Å; L515-S1140 WeakPolarHBondContact CD2-OG 3.36Å; L515-M1142 HydrophobicContact CB-SD 4.05Å |
| 516 | F | 94.5 | Very high | 94.2 | Very high | 23 Ų | 23 | 16.4 Ų | 16.4 | 10% | 0.101 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -63.9 | -40.8 | 177.1 | -168.2 | -86.2 | 0 | 0 | 0 | 111.4 | N512 S520 F714 V717 L718 L1095 I1097 M1142 | N512-F516 WeakPolarHBondContact O-CB 3.2Å; N512-F516 PolarHBondContact O-N 2.86Å; F516-S520 WeakPolarHBondContact O-CB 3.48Å; F516-S520 PolarHBondContact O-N 3.19Å; F516-S520 PolarHBondContact O-OG 3.43Å; F516-F714 HydrophobicContact CE1-CB 3.8Å; F516-F714 HydrophobicContact CZ-CB 4.43Å; F516-V717 HydrophobicContact CD1-CB 4.43Å; F516-V717 HydrophobicContact CD1-CG1 4.13Å; F516-V717 HydrophobicContact CD2-CG1 4.41Å; F516-V717 HydrophobicContact CE1-CB 3.66Å; F516-V717 HydrophobicContact CE1-CG1 3.72Å; F516-V717 HydrophobicContact CE1-CG2 4.32Å; F516-V717 HydrophobicContact CE2-CG1 4.03Å; F516-V717 HydrophobicContact CG-CG1 4.46Å; F516-V717 HydrophobicContact CZ-CB 3.75Å; F516-V717 HydrophobicContact CZ-CG1 3.67Å; F516-V717 HydrophobicContact CZ-CG2 3.96Å; F516-L718 HydrophobicContact CB-CD2 4.41Å; F516-L718 HydrophobicContact CD1-CD2 3.83Å; F516-L718 HydrophobicContact CD1-CG 4.02Å; F516-L718 HydrophobicContact CE1-CG 4.47Å; F516-L1095 HydrophobicContact CD2-CD1 4.17Å; F516-L1095 HydrophobicContact CE2-CD1 4.02Å; F516-I1097 HydrophobicContact CD2-CG2 4.46Å; F516-M1142 HydrophobicContact CB-CE 4.33Å; F516-M1142 HydrophobicContact CD2-CE 4.15Å |
| 517 | R | 95.4 | Very high | 94.3 | Very high | 46 Ų | 46 | 16.4 Ų | 16.4 | 17% | 0.174 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -60.1 | -46.6 | 173.4 | -174.4 | 179.4 | 62.8 | 148.6 | -3.2 | 111.5 | M467 F513 N514 L515 S520 T521 L718 | M467-R517 VanDerWaalsContact SD-CZ 3.54Å; M467-R517 PolarHBondContact SD-NH1 3.49Å; F513-R517 VanDerWaalsContact O-CB 3.25Å; F513-R517 WeakPolarHBondContact O-CB 3.49Å; F513-R517 PolarHBondContact O-N 2.8Å; N514-R517 PolarHBondContact O-N 2.69Å; L515-R517 VanDerWaalsContact C-N 3.33Å; L515-R517 PolarHBondContact O-N 3.5Å; R517-S520 PolarHBondContact O-N 2.94Å; R517-S520 PolarHBondContact O-OG 3.39Å; R517-T521 WeakPolarHBondContact O-CB 3.39Å; R517-T521 PolarHBondContact O-N 3.14Å; R517-T521 PolarHBondContact O-OG1 2.84Å; R517-L718 HydrophobicContact CB-CD1 4.12Å; R517-L718 HydrophobicContact CB-CD2 3.9Å; R517-L718 HydrophobicContact CG-CD1 4.15Å |
| 518 | L | 94.9 | Very high | 94.4 | Very high | 8 Ų | 8 | 16.4 Ų | 16.4 | 4% | 0.042 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -68.7 | -39.6 | -179 | -65.4 | 177.6 | 0 | 0 | 0 | 113.1 | I475 V481 V482 L495 N514 L515 T521 Y522 F1136 | I475-L518 HydrophobicContact CD1-CD2 3.73Å; I475-L518 HydrophobicContact CG1-CD2 4.23Å; V481-L518 HydrophobicContact CG1-CD1 3.58Å; V481-L518 HydrophobicContact CG1-CD2 3.48Å; V481-L518 VanDerWaalsContact CG1-CD2 3.48Å; V481-L518 HydrophobicContact CG1-CG 4.16Å; V482-L518 HydrophobicContact CG2-CD2 4.02Å; L495-L518 HydrophobicContact CD2-CD1 3.45Å; L495-L518 VanDerWaalsContact CD2-CD1 3.45Å; N514-L518 VanDerWaalsContact O-CG 3.24Å; N514-L518 WeakPolarHBondContact O-CG 3.38Å; N514-L518 PolarHBondContact O-N 3.28Å; L515-L518 PolarHBondContact O-N 3.43Å; L518-T521 WeakPolarHBondContact O-CB 3.33Å; L518-T521 PolarHBondContact O-N 3.16Å; L518-Y522 PolarHBondContact O-N 3.33Å; L518-F1136 VanDerWaalsContact C-CE2 3.44Å; L518-F1136 HydrophobicContact CB-CE1 3.87Å; L518-F1136 HydrophobicContact CB-CE2 3.95Å; L518-F1136 HydrophobicContact CB-CZ 3.5Å; L518-F1136 VanDerWaalsContact CB-CZ 3.5Å; L518-F1136 HydrophobicContact CD1-CE1 4.21Å; L518-F1136 WeakPolarHBondContact O-CE2 3.35Å |
| 519 | E | 93.7 | Very high | 94.4 | Very high | 7 Ų | 7 | 17.1 Ų | 17.1 | 3% | 0.033 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -63.4 | -43 | 173.5 | 172.8 | 57.7 | -166.9 | 0 | 0 | 111.2 | L515 T521 Y522 Q523 K1132 N1133 F1136 M1142 | L515-E519 WeakPolarHBondContact O-CB 3.49Å; L515-E519 PolarHBondContact O-N 2.85Å; E519-T521 VanDerWaalsContact C-N 3.3Å; E519-T521 PolarHBondContact O-N 3.36Å; E519-Y522 PolarHBondContact O-N 3.43Å; E519-Q523 WeakPolarHBondContact O-CG 3.34Å; E519-Q523 PolarHBondContact O-N 3.45Å; E519-Q523 VanDerWaalsContact O-N 3.08Å; E519-Q523 PolarHBondContact OE1-NE2 3.27Å; E519-K1132 VanDerWaalsContact OE1-CB 3.27Å; E519-K1132 WeakPolarHBondContact OE1-CB 3.4Å; E519-K1132 WeakPolarHBondContact OE1-CG 3.29Å; E519-K1132 PolarHBondContact OE1-N 2.84Å; E519-N1133 VanDerWaalsContact OE2-CB 3.29Å; E519-N1133 WeakPolarHBondContact OE2-CB 3.29Å; E519-N1133 PolarHBondContact OE2-N 3.44Å; E519-F1136 HydrophobicContact CB-CD2 3.87Å; E519-F1136 HydrophobicContact CB-CE2 4.39Å; E519-F1136 WeakPolarHBondContact OE2-CD2 3.22Å; E519-M1142 HydrophobicContact CB-CE 3.84Å; E519-M1142 HydrophobicContact CB-SD 3.85Å; E519-M1142 HydrophobicContact CG-CE 4.08Å; E519-M1142 HydrophobicContact CG-SD 4.27Å |
| 520 | S | 93.4 | Very high | 94.3 | Very high | 4 Ų | 4 | 20.6 Ų | 20.6 | 3% | 0.028 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -62.7 | -38.5 | 173.9 | 72 | 0 | 0 | 0 | 0 | 112 | F516 R517 Y522 Q523 I524 | F516-S520 WeakPolarHBondContact O-CB 3.48Å; F516-S520 PolarHBondContact O-N 3.19Å; F516-S520 PolarHBondContact O-OG 3.43Å; R517-S520 PolarHBondContact O-N 2.94Å; R517-S520 PolarHBondContact O-OG 3.39Å; S520-Y522 PolarHBondContact O-N 2.72Å; S520-Q523 PolarHBondContact O-N 2.69Å; S520-I524 WeakPolarHBondContact O-CB 3.44Å; S520-I524 VanDerWaalsContact O-CD1 3.29Å; S520-I524 WeakPolarHBondContact O-CD1 3.18Å; S520-I524 WeakPolarHBondContact O-CG1 3.44Å; S520-I524 PolarHBondContact O-N 2.82Å |
| 521 | T | 95.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -61.6 | -43.5 | 176.2 | -58.2 | 0 | 0 | 0 | 0 | 111.3 | P471 I475 I476 V482 R517 L518 E519 Q523 I524 R525 | P471-T521 HydrophobicContact CB-CG2 3.66Å; P471-T521 HydrophobicContact CG-CG2 4.3Å; I475-T521 HydrophobicContact CG1-CG2 4.5Å; I475-T521 HydrophobicContact CG2-CG2 4.15Å; I476-T521 HydrophobicContact CB-CG2 4.49Å; I476-T521 HydrophobicContact CG1-CG2 3.85Å; V482-T521 HydrophobicContact CG2-CG2 3.85Å; R517-T521 WeakPolarHBondContact O-CB 3.39Å; R517-T521 PolarHBondContact O-N 3.14Å; R517-T521 PolarHBondContact O-OG1 2.84Å; L518-T521 WeakPolarHBondContact O-CB 3.33Å; L518-T521 PolarHBondContact O-N 3.16Å; E519-T521 VanDerWaalsContact C-N 3.3Å; E519-T521 PolarHBondContact O-N 3.36Å; T521-Q523 PolarHBondContact O-N 2.93Å; T521-I524 PolarHBondContact O-N 2.93Å; T521-R525 WeakPolarHBondContact O-CB 3.45Å; T521-R525 PolarHBondContact O-N 2.98Å |
| 522 | Y | 93.8 | Very high | 94.5 | Very high | 9 Ų | 9 | 19.6 Ų | 19.6 | 4% | 0.035 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -61.7 | -41.8 | 175.1 | 176.2 | -102.4 | 0 | 0 | 0 | 112.3 | V482 E485 L518 E519 S520 R525 K526 K1132 N1133 | V482-Y522 HydrophobicContact CG1-CD2 4.14Å; E485-Y522 WeakPolarHBondContact CB-OH 3.23Å; L518-Y522 PolarHBondContact O-N 3.33Å; E519-Y522 PolarHBondContact O-N 3.43Å; S520-Y522 PolarHBondContact O-N 2.72Å; Y522-R525 WeakPolarHBondContact O-CB 3.42Å; Y522-R525 PolarHBondContact O-N 2.98Å; Y522-K526 HydrophobicContact CE1-CG 4.27Å; Y522-K526 PolarHBondContact O-N 3.36Å; Y522-K526 VanDerWaalsContact O-N 3.12Å; Y522-K526 WeakPolarHBondContact OH-CE 3.31Å; Y522-K1132 HydrophobicContact CD1-CB 4.03Å; Y522-K1132 HydrophobicContact CE1-CB 3.86Å; Y522-N1133 HydrophobicContact CD1-CB 3.7Å; Y522-N1133 HydrophobicContact CD2-CB 4.36Å; Y522-N1133 WeakPolarHBondContact CD2-ND2 3.41Å; Y522-N1133 HydrophobicContact CE1-CB 4.01Å; Y522-N1133 WeakPolarHBondContact CE2-ND2 3.45Å; Y522-N1133 HydrophobicContact CG-CB 3.89Å |
| 523 | Q | 93.1 | Very high | 94.4 | Very high | 43 Ų | 43 | 20.8 Ų | 20.8 | 20% | 0.201 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -64.8 | -44.3 | 176.4 | -67.2 | 177.3 | 29.3 | 0 | 0 | 111.6 | E519 S520 T521 R525 K526 D527 K1132 | E519-Q523 WeakPolarHBondContact O-CG 3.34Å; E519-Q523 PolarHBondContact O-N 3.45Å; E519-Q523 VanDerWaalsContact O-N 3.08Å; E519-Q523 PolarHBondContact OE1-NE2 3.27Å; S520-Q523 PolarHBondContact O-N 2.69Å; T521-Q523 PolarHBondContact O-N 2.93Å; Q523-R525 VanDerWaalsContact C-N 3.31Å; Q523-R525 PolarHBondContact O-N 3.15Å; Q523-K526 PolarHBondContact O-N 3.42Å; Q523-K526 VanDerWaalsContact O-N 3.1Å; Q523-D527 PolarHBondContact O-N 3.26Å; Q523-K1132 HydrophobicContact CG-CB 4.34Å; Q523-K1132 HydrophobicContact CG-CG 3.97Å |
| 524 | I | 94.7 | Very high | 94.4 | Very high | 1 Ų | 1 | 25.3 Ų | 25.3 | 1% | 0.005 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -61.5 | -40.9 | 176.5 | -67.9 | 156.8 | 0 | 0 | 0 | 110.6 | P471 S520 T521 K526 D527 I528 F608 F714 | P471-I524 HydrophobicContact CG-CB 4.4Å; P471-I524 HydrophobicContact CG-CD1 3.57Å; P471-I524 HydrophobicContact CG-CG2 4.17Å; S520-I524 WeakPolarHBondContact O-CB 3.44Å; S520-I524 VanDerWaalsContact O-CD1 3.29Å; S520-I524 WeakPolarHBondContact O-CD1 3.18Å; S520-I524 WeakPolarHBondContact O-CG1 3.44Å; S520-I524 PolarHBondContact O-N 2.82Å; T521-I524 PolarHBondContact O-N 2.93Å; I524-K526 VanDerWaalsContact C-N 3.31Å; I524-K526 PolarHBondContact O-N 3.05Å; I524-D527 PolarHBondContact O-N 3.49Å; I524-I528 HydrophobicContact CG2-CD1 3.77Å; I524-I528 HydrophobicContact CG2-CG1 4.35Å; I524-I528 VanDerWaalsContact O-CG1 3.26Å; I524-I528 WeakPolarHBondContact O-CG1 3.04Å; I524-I528 PolarHBondContact O-N 2.81Å; I524-F608 HydrophobicContact CB-CZ 4.38Å; I524-F608 HydrophobicContact CD1-CE1 4.02Å; I524-F608 HydrophobicContact CD1-CE2 4.24Å; I524-F608 HydrophobicContact CD1-CZ 3.42Å; I524-F608 VanDerWaalsContact CD1-CZ 3.42Å; I524-F608 HydrophobicContact CG1-CE1 4.39Å; I524-F608 HydrophobicContact CG1-CE2 4.04Å; I524-F608 HydrophobicContact CG1-CZ 3.67Å; I524-F608 HydrophobicContact CG2-CD1 4.09Å; I524-F608 HydrophobicContact CG2-CD2 4.42Å; I524-F608 HydrophobicContact CG2-CE1 3.74Å; I524-F608 HydrophobicContact CG2-CE2 4.13Å; I524-F608 HydrophobicContact CG2-CG 4.41Å; I524-F608 HydrophobicContact CG2-CZ 3.77Å; I524-F714 HydrophobicContact CD1-CD2 4.5Å; I524-F714 HydrophobicContact CD1-CE1 4.05Å; I524-F714 HydrophobicContact CD1-CE2 4Å; I524-F714 HydrophobicContact CD1-CZ 3.76Å |
| 525 | R | 94.3 | Very high | 94.4 | Very high | 18 Ų | 18 | 23.8 Ų | 23.8 | 7% | 0.068 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -54.1 | -48.2 | 172 | -177.6 | 179.8 | 166.5 | 174.5 | -4.7 | 111.1 | I476 W477 D484 T521 Y522 Q523 I528 E529 | I476-R525 HydrophobicContact CG2-CB 3.86Å; I476-R525 HydrophobicContact CG2-CG 3.83Å; I476-R525 WeakPolarHBondContact O-CD 3.39Å; W477-R525 HydrophobicContact CE3-CG 4.35Å; W477-R525 HydrophobicContact CH2-CG 3.96Å; W477-R525 HydrophobicContact CZ3-CG 3.73Å; W477-R525 VanDerWaalsContact CZ3-NE 3.25Å; D484-R525 IonicContact OD1-CZ 2.73Å; D484-R525 IonicContact OD1-NH1 2.78Å; D484-R525 PolarHBondContact OD1-NH1 3.24Å; D484-R525 IonicContact OD1-NH2 3.56Å; D484-R525 PolarHBondContact OD1-NH2 3.38Å; T521-R525 WeakPolarHBondContact O-CB 3.45Å; T521-R525 PolarHBondContact O-N 2.98Å; Y522-R525 WeakPolarHBondContact O-CB 3.42Å; Y522-R525 PolarHBondContact O-N 2.98Å; Q523-R525 VanDerWaalsContact C-N 3.31Å; Q523-R525 PolarHBondContact O-N 3.15Å; R525-I528 PolarHBondContact O-N 3.45Å; R525-E529 HydrophobicContact CG-CG 4.41Å; R525-E529 IonicContact CZ-OE1 3.91Å; R525-E529 IonicContact NE-OE1 3.38Å; R525-E529 PolarHBondContact NE-OE1 3.39Å; R525-E529 IonicContact NH2-OE1 2.68Å; R525-E529 PolarHBondContact NH2-OE1 2.96Å; R525-E529 VanDerWaalsContact O-CG 3.31Å; R525-E529 WeakPolarHBondContact O-CG 3.11Å; R525-E529 PolarHBondContact O-N 2.83Å |
| 526 | K | 92.1 | Very high | 94.4 | Very high | 68 Ų | 68 | 28 Ų | 28 | 30% | 0.296 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -65.7 | -37.6 | 179.7 | -68.9 | -65.9 | 170.4 | -162.5 | 0 | 113.1 | Y522 Q523 I524 E529 D530 | Y522-K526 HydrophobicContact CE1-CG 4.27Å; Y522-K526 PolarHBondContact O-N 3.36Å; Y522-K526 VanDerWaalsContact O-N 3.12Å; Y522-K526 WeakPolarHBondContact OH-CE 3.31Å; Q523-K526 PolarHBondContact O-N 3.42Å; Q523-K526 VanDerWaalsContact O-N 3.1Å; I524-K526 VanDerWaalsContact C-N 3.31Å; I524-K526 PolarHBondContact O-N 3.05Å; K526-E529 WeakPolarHBondContact CD-OE2 3.4Å; K526-E529 IonicContact NZ-OE2 3.19Å; K526-E529 PolarHBondContact NZ-OE2 3.34Å; K526-E529 PolarHBondContact O-N 3.42Å; K526-D530 PolarHBondContact O-N 2.99Å |
| 527 | D | 93.8 | Very high | 94.5 | Very high | 45 Ų | 45 | 27 Ų | 27 | 24% | 0.241 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -65.6 | -39.6 | 174.9 | -66.3 | -27.1 | 0 | 0 | 0 | 111.4 | Q523 I524 A531 R707 | Q523-D527 PolarHBondContact O-N 3.26Å; I524-D527 PolarHBondContact O-N 3.49Å; D527-A531 WeakPolarHBondContact O-CB 3.34Å; D527-A531 PolarHBondContact O-N 2.91Å; D527-R707 IonicContact OD2-CZ 3.58Å; D527-R707 IonicContact OD2-NE 3.67Å; D527-R707 PolarHBondContact OD2-NE 3.21Å; D527-R707 IonicContact OD2-NH2 3.86Å; D527-R707 PolarHBondContact OD2-NH2 3.27Å |
| 528 | I | 95.6 | Very high | 94.4 | Very high | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.005 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -65.5 | -46.8 | 174.6 | -68.2 | 167.1 | 0 | 0 | 0 | 111 | I476 I524 R525 A531 L532 V634 V637 I705 | I476-I528 HydrophobicContact CD1-CD1 3.96Å; I524-I528 HydrophobicContact CG2-CD1 3.77Å; I524-I528 HydrophobicContact CG2-CG1 4.35Å; I524-I528 VanDerWaalsContact O-CG1 3.26Å; I524-I528 WeakPolarHBondContact O-CG1 3.04Å; I524-I528 PolarHBondContact O-N 2.81Å; R525-I528 PolarHBondContact O-N 3.45Å; I528-A531 PolarHBondContact O-N 3.32Å; I528-L532 HydrophobicContact CG2-CD1 3.67Å; I528-L532 HydrophobicContact CG2-CG 4.36Å; I528-L532 WeakPolarHBondContact O-CB 3.3Å; I528-L532 WeakPolarHBondContact O-CG 3.38Å; I528-L532 PolarHBondContact O-N 3.4Å; I528-V634 HydrophobicContact CG2-CG2 4.45Å; I528-V637 HydrophobicContact CD1-CG1 3.97Å; I528-V637 HydrophobicContact CD1-CG2 4.18Å; I528-I705 HydrophobicContact CB-CD1 4.38Å; I528-I705 HydrophobicContact CG1-CD1 3.96Å; I528-I705 HydrophobicContact CG2-CD1 4.47Å |
| 529 | E | 94.1 | Very high | 94.3 | Very high | 19 Ų | 19 | 29.4 Ų | 29.4 | 9% | 0.089 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -57.1 | -51.8 | 177.8 | -72.9 | 176.8 | 178.4 | 0 | 0 | 110.8 | W477 R525 K526 L532 F533 F628 | W477-E529 HydrophobicContact CH2-CG 4.04Å; W477-E529 HydrophobicContact CZ3-CG 4.41Å; R525-E529 HydrophobicContact CG-CG 4.41Å; R525-E529 IonicContact CZ-OE1 3.91Å; R525-E529 IonicContact NE-OE1 3.38Å; R525-E529 PolarHBondContact NE-OE1 3.39Å; R525-E529 IonicContact NH2-OE1 2.68Å; R525-E529 PolarHBondContact NH2-OE1 2.96Å; R525-E529 VanDerWaalsContact O-CG 3.31Å; R525-E529 WeakPolarHBondContact O-CG 3.11Å; R525-E529 PolarHBondContact O-N 2.83Å; K526-E529 WeakPolarHBondContact CD-OE2 3.4Å; K526-E529 IonicContact NZ-OE2 3.19Å; K526-E529 PolarHBondContact NZ-OE2 3.34Å; K526-E529 PolarHBondContact O-N 3.42Å; E529-L532 PolarHBondContact O-N 3.24Å; E529-F533 WeakPolarHBondContact O-CB 3.16Å; E529-F533 WeakPolarHBondContact O-CD2 3.37Å; E529-F533 PolarHBondContact O-N 3.31Å; E529-F628 HydrophobicContact CB-CD2 4.02Å; E529-F628 HydrophobicContact CB-CE2 4.26Å; E529-F628 HydrophobicContact CB-CG 4.41Å; E529-F628 HydrophobicContact CG-CB 4.06Å; E529-F628 HydrophobicContact CG-CD1 3.98Å; E529-F628 HydrophobicContact CG-CD2 3.77Å; E529-F628 HydrophobicContact CG-CE1 4.41Å; E529-F628 HydrophobicContact CG-CE2 4.21Å; E529-F628 HydrophobicContact CG-CG 3.65Å |
| 530 | D | 92.4 | Very high | 94.2 | Very high | 74 Ų | 74 | 31.9 Ų | 31.9 | 40% | 0.396 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -62.7 | -45.3 | 179 | 179.2 | 77.4 | 0 | 0 | 0 | 112.1 | K526 L532 R534 | K526-D530 PolarHBondContact O-N 2.99Å; D530-L532 PolarHBondContact O-N 2.97Å; D530-R534 VanDerWaalsContact CG-NE 3.31Å; D530-R534 WeakPolarHBondContact O-CB 3.21Å; D530-R534 VanDerWaalsContact O-CG 3.26Å; D530-R534 WeakPolarHBondContact O-CG 3.46Å; D530-R534 PolarHBondContact O-N 3.43Å; D530-R534 IonicContact OD1-CZ 2.59Å; D530-R534 IonicContact OD1-NE 3.39Å; D530-R534 PolarHBondContact OD1-NE 3.28Å; D530-R534 IonicContact OD1-NH2 2.59Å; D530-R534 PolarHBondContact OD1-NH2 3.42Å; D530-R534 IonicContact OD2-CZ 3.68Å; D530-R534 IonicContact OD2-NE 2.7Å; D530-R534 PolarHBondContact OD2-NE 2.9Å; D530-R534 IonicContact OD2-NH2 3.82Å |
| 531 | A | 95.8 | Very high | 94 | Very high | 2 Ų | 2 | 39.6 Ų | 39.6 | 2% | 0.017 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.4 | -44.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | D527 I528 R534 L535 A556 I705 | D527-A531 WeakPolarHBondContact O-CB 3.34Å; D527-A531 PolarHBondContact O-N 2.91Å; I528-A531 PolarHBondContact O-N 3.32Å; A531-R534 PolarHBondContact O-N 3.14Å; A531-L535 WeakPolarHBondContact O-CG 3.28Å; A531-L535 PolarHBondContact O-N 3.46Å; A531-A556 HydrophobicContact CB-CB 3.78Å; A531-I705 HydrophobicContact CB-CD1 3.96Å; A531-I705 HydrophobicContact CB-CG1 4.41Å; A531-I705 HydrophobicContact CB-CG2 4.27Å |
| 532 | L | 96.5 | Very high | 93.5 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -77.5 | -36 | -175.9 | -69.1 | 177.8 | 0 | 0 | 0 | 112.8 | I528 E529 D530 R534 L535 K536 P537 V612 F628 I632 V634 V703 | I528-L532 HydrophobicContact CG2-CD1 3.67Å; I528-L532 HydrophobicContact CG2-CG 4.36Å; I528-L532 WeakPolarHBondContact O-CB 3.3Å; I528-L532 WeakPolarHBondContact O-CG 3.38Å; I528-L532 PolarHBondContact O-N 3.4Å; E529-L532 PolarHBondContact O-N 3.24Å; D530-L532 PolarHBondContact O-N 2.97Å; L532-R534 PolarHBondContact O-N 2.63Å; L532-L535 HydrophobicContact CD2-CD1 4.34Å; L532-L535 PolarHBondContact O-N 3.35Å; L532-K536 PolarHBondContact O-N 3.39Å; L532-K536 VanDerWaalsContact O-N 3.07Å; L532-P537 VanDerWaalsContact O-CD 3.25Å; L532-P537 WeakPolarHBondContact O-CD 3.27Å; L532-V612 HydrophobicContact CD1-CG1 3.62Å; L532-V612 HydrophobicContact CD2-CG1 3.75Å; L532-V612 HydrophobicContact CG-CG1 4.35Å; L532-F628 HydrophobicContact CB-CE2 4Å; L532-F628 HydrophobicContact CB-CZ 4Å; L532-F628 HydrophobicContact CD1-CZ 3.73Å; L532-F628 HydrophobicContact CG-CZ 4.49Å; L532-I632 HydrophobicContact CB-CD1 4.2Å; L532-I632 HydrophobicContact CB-CG2 4.36Å; L532-I632 HydrophobicContact CD1-CG2 4.25Å; L532-V634 HydrophobicContact CD1-CG2 3.53Å; L532-V703 HydrophobicContact CD2-CG2 4.5Å |
| 533 | F | 94.2 | Very high | 93.2 | Very high | 32 Ų | 32 | 48.1 Ų | 48.1 | 14% | 0.14 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -58.9 | -34.6 | 170 | -81.9 | -52.7 | 0 | 0 | 0 | 112 | E529 K536 Y622 V624 F628 I632 | E529-F533 WeakPolarHBondContact O-CB 3.16Å; E529-F533 WeakPolarHBondContact O-CD2 3.37Å; E529-F533 PolarHBondContact O-N 3.31Å; F533-K536 WeakPolarHBondContact O-CG 3.16Å; F533-Y622 HydrophobicContact CD1-CG 4.43Å; F533-V624 HydrophobicContact CD2-CG2 4.46Å; F533-V624 HydrophobicContact CE2-CG1 4.32Å; F533-V624 HydrophobicContact CG-CG2 4.45Å; F533-F628 HydrophobicContact CD2-CD2 4.07Å; F533-F628 HydrophobicContact CD2-CE2 4.46Å; F533-F628 HydrophobicContact CE1-CD2 4.21Å; F533-F628 HydrophobicContact CE2-CB 4.44Å; F533-F628 AromaticContact CE2-CD2 3.59Å; F533-F628 HydrophobicContact CE2-CD2 3.59Å; F533-F628 HydrophobicContact CE2-CE2 4.4Å; F533-F628 HydrophobicContact CE2-CG 4.49Å; F533-F628 HydrophobicContact CZ-CB 4.26Å; F533-F628 AromaticContact CZ-CD2 3.67Å; F533-F628 HydrophobicContact CZ-CD2 3.67Å; F533-F628 HydrophobicContact CZ-CG 4.46Å; F533-I632 HydrophobicContact CD1-CD1 4.15Å |
| 534 | R | 94.3 | Very high | 92.5 | Very high | 95 Ų | 95 | 53.5 Ų | 53.5 | 36% | 0.358 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -76.6 | -42.8 | 176.9 | -71.9 | 175.9 | -169.8 | -77.7 | -10.9 | 113.7 | D530 A531 L532 K536 G551 W552 A553 | D530-R534 VanDerWaalsContact CG-NE 3.31Å; D530-R534 WeakPolarHBondContact O-CB 3.21Å; D530-R534 VanDerWaalsContact O-CG 3.26Å; D530-R534 WeakPolarHBondContact O-CG 3.46Å; D530-R534 PolarHBondContact O-N 3.43Å; D530-R534 IonicContact OD1-CZ 2.59Å; D530-R534 IonicContact OD1-NE 3.39Å; D530-R534 PolarHBondContact OD1-NE 3.28Å; D530-R534 IonicContact OD1-NH2 2.59Å; D530-R534 PolarHBondContact OD1-NH2 3.42Å; D530-R534 IonicContact OD2-CZ 3.68Å; D530-R534 IonicContact OD2-NE 2.7Å; D530-R534 PolarHBondContact OD2-NE 2.9Å; D530-R534 IonicContact OD2-NH2 3.82Å; A531-R534 PolarHBondContact O-N 3.14Å; L532-R534 PolarHBondContact O-N 2.63Å; R534-K536 PolarHBondContact O-N 3.48Å; R534-G551 CarbonylContact O-C 3.59Å; R534-G551 WeakPolarHBondContact O-CA 3.4Å; R534-W552 PolarHBondContact O-N 3.32Å; R534-A553 HydrophobicContact CB-CB 3.86Å |
| 535 | L | 95.4 | Very high | 91.8 | Very high | 3 Ų | 3 | 57.9 Ų | 57.9 | 2% | 0.016 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -66.6 | -23.9 | 178 | -78.9 | 178.3 | 0 | 0 | 0 | 113.2 | A531 L532 F549 G550 G551 A553 A556 V703 | A531-L535 WeakPolarHBondContact O-CG 3.28Å; A531-L535 PolarHBondContact O-N 3.46Å; L532-L535 HydrophobicContact CD2-CD1 4.34Å; L532-L535 PolarHBondContact O-N 3.35Å; L535-F549 HydrophobicContact CB-CD1 4.01Å; L535-F549 HydrophobicContact CD1-CD1 4.45Å; L535-F549 HydrophobicContact CD1-CE1 4.47Å; L535-G550 PolarHBondContact O-N 3.33Å; L535-G551 WeakPolarHBondContact O-CA 3.48Å; L535-G551 PolarHBondContact O-N 3.27Å; L535-A553 HydrophobicContact CD2-CB 4.07Å; L535-A553 HydrophobicContact CG-CB 3.88Å; L535-A556 HydrophobicContact CD1-CB 3.69Å; L535-A556 HydrophobicContact CG-CB 4.33Å; L535-V703 HydrophobicContact CD1-CG1 3.73Å; L535-V703 HydrophobicContact CD1-CG2 4.32Å |
| 536 | K | 95.2 | Very high | 91.5 | Very high | 91 Ų | 91 | 61.1 Ų | 61.1 | 40% | 0.396 | 30% | 0.303 | S | S | . | . | trans | 48.9 | 64.3 | 180 | -62.1 | 176.9 | 179.7 | 175.9 | 0 | 112.1 | L532 F533 R534 W538 G550 Y622 | L532-K536 PolarHBondContact O-N 3.39Å; L532-K536 VanDerWaalsContact O-N 3.07Å; F533-K536 WeakPolarHBondContact O-CG 3.16Å; R534-K536 PolarHBondContact O-N 3.48Å; K536-W538 HydrophobicContact CB-CZ2 4.24Å; K536-W538 HydrophobicContact CD-CZ2 4.45Å; K536-G550 PolarHBondContact O-N 2.79Å; K536-Y622 HydrophobicContact CB-CE2 4.45Å | ||
| 537 | P | 95.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 134.2 | 177.7 | 28.9 | -34.3 | 0 | 0 | 0 | 110.1 | L532 V547 V548 F549 V612 P614 Y622 I632 | L532-P537 VanDerWaalsContact O-CD 3.25Å; L532-P537 WeakPolarHBondContact O-CD 3.27Å; P537-V547 HydrophobicContact CB-CG1 3.89Å; P537-V548 CarbonylContact C-O 3.56Å; P537-F549 HydrophobicContact CB-CD1 4.02Å; P537-F549 HydrophobicContact CB-CE1 3.88Å; P537-V612 HydrophobicContact CB-CG2 4.09Å; P537-P614 HydrophobicContact CB-CB 4.33Å; P537-P614 HydrophobicContact CB-CG 4.16Å; P537-P614 WeakPolarHBondContact O-CB 3.35Å; P537-Y622 PolarHBondContact O-OH 3.31Å; P537-I632 HydrophobicContact CG-CD1 4.23Å; P537-I632 HydrophobicContact CG-CG1 4.44Å; P537-I632 HydrophobicContact CG-CG2 3.73Å |
| 538 | W | 94.7 | Very high | 91.5 | Very high | 32 Ų | 32 | 59.4 Ų | 59.4 | 12% | 0.121 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 154.6 | 177.6 | -60.8 | -42.5 | 0 | 0 | 0 | 110.7 | K536 H540 V548 G550 P614 V618 G619 T620 Y622 | K536-W538 HydrophobicContact CB-CZ2 4.24Å; K536-W538 HydrophobicContact CD-CZ2 4.45Å; W538-H540 PolarHBondContact O-N 3.5Å; W538-V548 HydrophobicContact CE3-CG1 4.32Å; W538-V548 PolarHBondContact N-O 3.12Å; W538-V548 PolarHBondContact O-N 2.95Å; W538-G550 VanDerWaalsContact CZ3-CA 3.43Å; W538-P614 VanDerWaalsContact O-CG 3.3Å; W538-P614 WeakPolarHBondContact O-CG 3.45Å; W538-V618 HydrophobicContact CB-CG2 4.11Å; W538-V618 HydrophobicContact CD2-CB 4.48Å; W538-V618 HydrophobicContact CD2-CG1 4.45Å; W538-V618 HydrophobicContact CE3-CB 4Å; W538-V618 HydrophobicContact CE3-CG1 3.57Å; W538-V618 HydrophobicContact CE3-CG2 4.27Å; W538-V618 HydrophobicContact CZ3-CG1 3.7Å; W538-G619 VanDerWaalsContact CE2-N 3.28Å; W538-G619 VanDerWaalsContact CZ2-CA 3.44Å; W538-G619 VanDerWaalsContact CZ2-N 3.31Å; W538-T620 PolarHBondContact NE1-O 2.93Å; W538-Y622 AromaticContact NE1-CE2 3.99Å |
| 539 | K | 92.8 | Very high | 91.5 | Very high | 73 Ų | 73 | 61.7 Ų | 61.7 | 32% | 0.317 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 129.9 | 173.2 | -169.2 | 179.6 | 175.9 | -178.2 | 0 | 108.9 | E544 P614 A616 | K539-E544 IonicContact NZ-OE1 2.69Å; K539-E544 PolarHBondContact NZ-OE1 3.39Å; K539-P614 WeakPolarHBondContact CB-O 3.43Å; K539-A616 PolarHBondContact N-O 3.32Å |
| 540 | H | 91.8 | Very high | 91.3 | Very high | 60 Ų | 60 | 62.6 Ų | 62.6 | 28% | 0.278 | 33% | 0.325 | S | S | . | . | trans | -65.3 | 146.1 | 173.5 | -172.4 | -90 | 0 | 0 | 0 | 110.7 | W538 T542 D543 L546 V548 | W538-H540 PolarHBondContact O-N 3.5Å; H540-T542 PolarHBondContact CE1-OG1 3.22Å; H540-T542 PolarHBondContact ND1-N 3.47Å; H540-T542 PolarHBondContact ND1-OG1 3.21Å; H540-T542 PolarHBondContact O-N 2.94Å; H540-D543 WeakPolarHBondContact CB-O 3.49Å; H540-D543 PolarHBondContact ND1-N 2.98Å; H540-L546 HydrophobicContact CB-CB 3.88Å; H540-L546 VanDerWaalsContact CB-O 3.25Å; H540-L546 WeakPolarHBondContact CB-O 3.39Å; H540-L546 PolarHBondContact N-O 3.05Å; H540-V548 HydrophobicContact CB-CG2 3.92Å; H540-V548 VanDerWaalsContact CD2-CG2 3.48Å; H540-V548 WeakPolarHBondContact CD2-CG2 3.37Å | ||
| 541 | E | 88.5 | Confident | 91.3 | Very high | 166 Ų | 166 | 60.3 Ų | 60.3 | 78% | 0.776 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -68.2 | -33.6 | -170.7 | -65.2 | -177.3 | 168.7 | 0 | 0 | 113.5 | V618 | E541-V618 HydrophobicContact CG-CG2 4.3Š|
| 542 | T | 85.1 | Confident | 91.2 | Very high | 124 Ų | 124 | 66.4 Ų | 66.4 | 76% | 0.761 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -117.4 | -18 | -172.6 | 58.3 | 0 | 0 | 0 | 0 | 115.2 | H540 | H540-T542 PolarHBondContact CE1-OG1 3.22Å; H540-T542 PolarHBondContact ND1-N 3.47Å; H540-T542 PolarHBondContact ND1-OG1 3.21Å; H540-T542 PolarHBondContact O-N 2.94Å |
| 543 | D | 86.6 | Confident | 91 | Very high | 63 Ų | 63 | 66.6 Ų | 66.6 | 34% | 0.337 | 34% | 0.343 | S | S | . | . | trans | -129.7 | 104.4 | -173.3 | -173.6 | -19.6 | 0 | 0 | 0 | 108 | H540 S545 L546 | H540-D543 WeakPolarHBondContact CB-O 3.49Å; H540-D543 PolarHBondContact ND1-N 2.98Å; D543-S545 PolarHBondContact O-N 3.35Å; D543-S545 VanDerWaalsContact O-N 3.1Å; D543-S545 WeakPolarHBondContact OD1-CB 3.46Å; D543-S545 PolarHBondContact OD1-N 2.95Å; D543-S545 PolarHBondContact OD1-OG 3.34Å; D543-S545 PolarHBondContact OD2-OG 2.91Å; D543-L546 HydrophobicContact CB-CB 4.28Å; D543-L546 HydrophobicContact CB-CD1 3.96Å; D543-L546 HydrophobicContact CB-CG 4.06Å; D543-L546 PolarHBondContact O-N 3.34Å; D543-L546 VanDerWaalsContact O-N 3.12Å; D543-L546 WeakPolarHBondContact OD2-CD1 3.42Å | ||
| 544 | E | 78.5 | Confident | 91 | Very high | 156 Ų | 156 | 68.6 Ų | 68.6 | 73% | 0.729 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -14.7 | -176.3 | -55.6 | -162.6 | 134.3 | 0 | 0 | 113.3 | K539 | K539-E544 IonicContact NZ-OE1 2.69Å; K539-E544 PolarHBondContact NZ-OE1 3.39Å |
| 545 | S | 79.6 | Confident | 91 | Very high | 93 Ų | 93 | 65.8 Ų | 65.8 | 65% | 0.65 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -17.4 | 177.3 | 75.1 | 0 | 0 | 0 | 0 | 113.5 | D543 | D543-S545 PolarHBondContact O-N 3.35Å; D543-S545 VanDerWaalsContact O-N 3.1Å; D543-S545 WeakPolarHBondContact OD1-CB 3.46Å; D543-S545 PolarHBondContact OD1-N 2.95Å; D543-S545 PolarHBondContact OD1-OG 3.34Å; D543-S545 PolarHBondContact OD2-OG 2.91Å |
| 546 | L | 88.3 | Confident | 91.1 | Very high | 86 Ų | 86 | 65.7 Ų | 65.7 | 45% | 0.45 | 34% | 0.34 | S | S | . | . | trans | -97.5 | 145.7 | -176.8 | -64 | -180 | 0 | 0 | 0 | 112.4 | H540 D543 | H540-L546 HydrophobicContact CB-CB 3.88Å; H540-L546 VanDerWaalsContact CB-O 3.25Å; H540-L546 WeakPolarHBondContact CB-O 3.39Å; H540-L546 PolarHBondContact N-O 3.05Å; D543-L546 HydrophobicContact CB-CB 4.28Å; D543-L546 HydrophobicContact CB-CD1 3.96Å; D543-L546 HydrophobicContact CB-CG 4.06Å; D543-L546 PolarHBondContact O-N 3.34Å; D543-L546 VanDerWaalsContact O-N 3.12Å; D543-L546 WeakPolarHBondContact OD2-CD1 3.42Å | ||
| 547 | V | 93.6 | Very high | 91.2 | Very high | 32 Ų | 32 | 61.9 Ų | 61.9 | 19% | 0.194 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 129.4 | 177.5 | 179 | 0 | 0 | 0 | 0 | 109.5 | P537 F549 V612 P614 | P537-V547 HydrophobicContact CB-CG1 3.89Å; V547-F549 HydrophobicContact CB-CE2 4.25Å; V547-F549 HydrophobicContact CB-CZ 4.25Å; V547-F549 HydrophobicContact CG1-CD1 4.34Å; V547-F549 HydrophobicContact CG1-CD2 4.39Å; V547-F549 HydrophobicContact CG1-CE1 3.88Å; V547-F549 HydrophobicContact CG1-CE2 3.92Å; V547-F549 HydrophobicContact CG1-CZ 3.64Å; V547-V612 HydrophobicContact CG1-CG2 4.38Å; V547-P614 HydrophobicContact CG1-CG 3.87Å; V547-P614 HydrophobicContact CG2-CG 4.2Å |
| 548 | V | 93.6 | Very high | 91.3 | Very high | 46 Ų | 46 | 64.4 Ų | 64.4 | 28% | 0.279 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 123.3 | 173.3 | 179.5 | 0 | 0 | 0 | 0 | 108.6 | P537 W538 H540 V618 | P537-V548 CarbonylContact C-O 3.56Å; W538-V548 HydrophobicContact CE3-CG1 4.32Å; W538-V548 PolarHBondContact N-O 3.12Å; W538-V548 PolarHBondContact O-N 2.95Å; H540-V548 HydrophobicContact CB-CG2 3.92Å; H540-V548 VanDerWaalsContact CD2-CG2 3.48Å; H540-V548 WeakPolarHBondContact CD2-CG2 3.37Å; V548-V618 HydrophobicContact CB-CG2 4.45Å |
| 549 | F | 94.3 | Very high | 91.4 | Very high | 48 Ų | 48 | 63.9 Ų | 63.9 | 21% | 0.211 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 108.9 | 174.5 | -63 | -78.9 | 0 | 0 | 0 | 109.7 | L535 P537 V547 G551 P558 V612 V703 | L535-F549 HydrophobicContact CB-CD1 4.01Å; L535-F549 HydrophobicContact CD1-CD1 4.45Å; L535-F549 HydrophobicContact CD1-CE1 4.47Å; P537-F549 HydrophobicContact CB-CD1 4.02Å; P537-F549 HydrophobicContact CB-CE1 3.88Å; V547-F549 HydrophobicContact CB-CE2 4.25Å; V547-F549 HydrophobicContact CB-CZ 4.25Å; V547-F549 HydrophobicContact CG1-CD1 4.34Å; V547-F549 HydrophobicContact CG1-CD2 4.39Å; V547-F549 HydrophobicContact CG1-CE1 3.88Å; V547-F549 HydrophobicContact CG1-CE2 3.92Å; V547-F549 HydrophobicContact CG1-CZ 3.64Å; F549-G551 VanDerWaalsContact C-N 3.34Å; F549-P558 HydrophobicContact CB-CG 4.46Å; F549-P558 HydrophobicContact CD2-CB 3.91Å; F549-P558 HydrophobicContact CD2-CG 3.6Å; F549-P558 HydrophobicContact CE2-CB 3.85Å; F549-P558 HydrophobicContact CE2-CG 3.99Å; F549-P558 HydrophobicContact CG-CG 4.04Å; F549-V612 HydrophobicContact CE1-CG2 4.1Å; F549-V612 HydrophobicContact CZ-CG2 4.2Å; F549-V703 HydrophobicContact CE1-CG2 3.52Å; F549-V703 HydrophobicContact CE2-CG2 4.46Å; F549-V703 HydrophobicContact CZ-CG2 3.36Å |
| 550 | G | 91.1 | Very high | 91.5 | Very high | 38 Ų | 38 | 64 Ų | 64 | 39% | 0.392 | 35% | 0.347 | S | S | . | . | trans | -83.9 | -5.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115 | L535 K536 W538 | L535-G550 PolarHBondContact O-N 3.33Å; K536-G550 PolarHBondContact O-N 2.79Å; W538-G550 VanDerWaalsContact CZ3-CA 3.43Å | ||
| 551 | G | 91.9 | Very high | 91.7 | Very high | 26 Ų | 26 | 65.2 Ų | 65.2 | 27% | 0.268 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -136.5 | -173.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | R534 L535 F549 | R534-G551 CarbonylContact O-C 3.59Å; R534-G551 WeakPolarHBondContact O-CA 3.4Å; L535-G551 WeakPolarHBondContact O-CA 3.48Å; L535-G551 PolarHBondContact O-N 3.27Å; F549-G551 VanDerWaalsContact C-N 3.34Å |
| 552 | W | 92.7 | Very high | 92.2 | Very high | 131 Ų | 131 | 58.4 Ų | 58.4 | 50% | 0.496 | 32% | 0.323 | S | S | . | . | trans | -134.9 | 149.2 | -180 | 71.9 | -84.8 | 0 | 0 | 0 | 109.7 | R534 R554 I594 | R534-W552 PolarHBondContact O-N 3.32Å; W552-R554 HydrophobicContact CZ3-CB 4.25Å; W552-I594 HydrophobicContact CE3-CD1 4.47Å; W552-I594 HydrophobicContact CH2-CD1 4.13Å; W552-I594 HydrophobicContact CZ3-CD1 3.59Å | ||
| 553 | A | 93.8 | Very high | 92.7 | Very high | 4 Ų | 4 | 54.9 Ų | 54.9 | 3% | 0.033 | 30% | 0.303 | C | S | . | . | B | Isolated β-bridge | trans | -131.9 | 134.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | R534 L535 M555 A556 | R534-A553 HydrophobicContact CB-CB 3.86Å; L535-A553 HydrophobicContact CD2-CB 4.07Å; L535-A553 HydrophobicContact CG-CB 3.88Å; A553-M555 PolarHBondContact O-N 3.21Å; A553-A556 HydrophobicContact CB-CB 4.07Å; A553-A556 PolarHBondContact O-N 2.97Å |
| 554 | R | 93.5 | Very high | 93.2 | Very high | 73 Ų | 73 | 54.2 Ų | 54.2 | 28% | 0.275 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -33.3 | 175.6 | -173.4 | -178.4 | -169.9 | 126.9 | -1.1 | 112.6 | W552 D593 I594 E597 W598 R706 | W552-R554 HydrophobicContact CZ3-CB 4.25Å; R554-D593 IonicContact NH1-OD2 3.88Å; R554-D593 IonicContact NH2-OD2 3.94Å; R554-I594 HydrophobicContact CG-CD1 4.24Å; R554-I594 HydrophobicContact CG-CG1 4.16Å; R554-I594 HydrophobicContact CG-CG2 4.1Å; R554-E597 IonicContact CZ-OE1 2.65Å; R554-E597 IonicContact CZ-OE2 2.9Å; R554-E597 IonicContact NE-OE1 2.68Å; R554-E597 PolarHBondContact NE-OE1 2.86Å; R554-E597 IonicContact NE-OE2 2.75Å; R554-E597 PolarHBondContact NE-OE2 2.82Å; R554-E597 IonicContact NH2-OE1 3.2Å; R554-E597 PolarHBondContact NH2-OE1 3.33Å; R554-E597 IonicContact NH2-OE2 3.79Å; R554-W598 PolarHBondContact O-NE1 3.08Å; R554-W598 VanDerWaalsContact O-NE1 3.09Å; R554-R706 PolarHBondContact O-NH2 3.34Å |
| 555 | M | 94.4 | Very high | 94 | Very high | 37 Ų | 37 | 50.4 Ų | 50.4 | 18% | 0.182 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | -2.1 | -172.2 | -57.7 | -55 | -72.3 | 0 | 0 | 114 | A553 I705 R706 K708 | A553-M555 PolarHBondContact O-N 3.21Å; M555-I705 WeakPolarHBondContact O-CA 3.44Å; M555-R706 HydrophobicContact CE-CG 3.91Å; M555-R706 WeakPolarHBondContact CE-O 3.47Å; M555-R706 PolarHBondContact O-N 2.99Å; M555-R706 HydrophobicContact SD-CG 4.48Å; M555-K708 HydrophobicContact CE-CG 4.13Å |
| 556 | A | 97.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 142.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | A531 L535 A553 V703 I704 I705 | A531-A556 HydrophobicContact CB-CB 3.78Å; L535-A556 HydrophobicContact CD1-CB 3.69Å; L535-A556 HydrophobicContact CG-CB 4.33Å; A553-A556 HydrophobicContact CB-CB 4.07Å; A553-A556 PolarHBondContact O-N 2.97Å; A556-V703 HydrophobicContact CB-CG1 4.21Å; A556-I704 CarbonylContact C-O 3.54Å; A556-I704 WeakPolarHBondContact CA-O 3.2Å; A556-I705 HydrophobicContact CB-CB 4.4Å; A556-I705 HydrophobicContact CB-CG1 3.82Å; A556-I705 HydrophobicContact CB-CG2 4.48Å |
| 557 | L | 97.6 | Very high | 95.3 | Very high | 12 Ų | 12 | 49.2 Ų | 49.2 | 6% | 0.063 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 146.3 | 179.3 | -66 | 174.8 | 0 | 0 | 0 | 110.8 | L586 L588 L590 W598 V703 I704 | L557-L586 HydrophobicContact CB-CD2 4.47Å; L557-L586 HydrophobicContact CD1-CD1 4.34Å; L557-L588 HydrophobicContact CD1-CD2 3.65Å; L557-L590 HydrophobicContact CD1-CD1 4.02Å; L557-L590 HydrophobicContact CD2-CD1 3.89Å; L557-L590 HydrophobicContact CD2-CD2 3.91Å; L557-L590 HydrophobicContact CD2-CG 4.4Å; L557-W598 HydrophobicContact CB-CH2 4.46Å; L557-W598 HydrophobicContact CB-CZ2 4.41Å; L557-W598 HydrophobicContact CD1-CD2 3.62Å; L557-W598 VanDerWaalsContact CD1-CE2 3.5Å; L557-W598 HydrophobicContact CD1-CE3 3.98Å; L557-W598 HydrophobicContact CD1-CG 4.1Å; L557-W598 HydrophobicContact CD1-CH2 4.11Å; L557-W598 HydrophobicContact CD1-CZ2 3.77Å; L557-W598 HydrophobicContact CD1-CZ3 4.21Å; L557-W598 HydrophobicContact CG-CD2 4.38Å; L557-W598 HydrophobicContact CG-CH2 4.06Å; L557-W598 HydrophobicContact CG-CZ2 3.59Å; L557-V703 WeakPolarHBondContact O-CA 3.48Å; L557-I704 HydrophobicContact CB-CG2 4.12Å; L557-I704 PolarHBondContact N-O 3.06Å; L557-I704 WeakPolarHBondContact O-CG2 3.44Å; L557-I704 PolarHBondContact O-N 3.44Å |
| 558 | P | 97.2 | Very high | 95.4 | Very high | 52 Ų | 52 | 48.2 Ų | 48.2 | 34% | 0.338 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.9 | 137.4 | 166.4 | -21.8 | 34.1 | 0 | 0 | 0 | 111.2 | F549 N702 | F549-P558 HydrophobicContact CB-CG 4.46Å; F549-P558 HydrophobicContact CD2-CB 3.91Å; F549-P558 HydrophobicContact CD2-CG 3.6Å; F549-P558 HydrophobicContact CE2-CB 3.85Å; F549-P558 HydrophobicContact CE2-CG 3.99Å; F549-P558 HydrophobicContact CG-CG 4.04Å; P558-N702 WeakPolarHBondContact CA-O 3.33Å |
| 559 | I | 97.5 | Very high | 95.5 | Very high | 22 Ų | 22 | 54.8 Ų | 54.8 | 11% | 0.113 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 128.7 | 174.9 | -67.4 | 170.4 | 0 | 0 | 0 | 108.8 | N561 F562 V584 L586 L609 F701 N702 V703 I704 | I559-N561 WeakPolarHBondContact CG2-O 3.43Å; I559-F562 HydrophobicContact CG2-CB 4.12Å; I559-V584 HydrophobicContact CD1-CG1 4.38Å; I559-V584 HydrophobicContact CG1-CG1 4.11Å; I559-V584 HydrophobicContact CG2-CG1 4.24Å; I559-L586 HydrophobicContact CG1-CD2 4.28Å; I559-L609 HydrophobicContact CD1-CD2 3.79Å; I559-F701 HydrophobicContact CD1-CB 3.84Å; I559-N702 PolarHBondContact N-O 3.29Å; I559-V703 VanDerWaalsContact CD1-C 3.46Å; I559-V703 WeakPolarHBondContact CD1-O 3.49Å; I559-I704 HydrophobicContact CD1-CB 4.19Å; I559-I704 HydrophobicContact CG1-CB 4Å; I559-I704 HydrophobicContact CG1-CG2 4.3Å |
| 560 | T | 95.5 | Very high | 95.5 | Very high | 74 Ų | 74 | 56 Ų | 56 | 45% | 0.454 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | -41.9 | 176.1 | -54.1 | 0 | 0 | 0 | 0 | 111.3 | Q585 T587 | T560-Q585 WeakPolarHBondContact CB-O 3.42Å; T560-Q585 PolarHBondContact N-O 2.81Å; T560-T587 PolarHBondContact OG1-OG1 3.45Å |
| 561 | N | 96 | Very high | 95.6 | Very high | 86 Ų | 86 | 58.2 Ų | 58.2 | 46% | 0.46 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 148.1 | 174.3 | -173 | 29.3 | 0 | 0 | 0 | 109.8 | I559 Q585 | I559-N561 WeakPolarHBondContact CG2-O 3.43Å; N561-Q585 HydrophobicContact CB-CB 4.05Å; N561-Q585 PolarHBondContact O-N 2.94Å |
| 562 | F | 97.8 | Very high | 95.5 | Very high | 24 Ų | 24 | 64.3 Ų | 64.3 | 11% | 0.105 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 134.6 | 174.8 | -176.5 | -90.6 | 0 | 0 | 0 | 109.5 | I559 V564 A582 D583 V584 L609 L677 Y698 F701 | I559-F562 HydrophobicContact CG2-CB 4.12Å; F562-V564 HydrophobicContact CE1-CG2 4.09Å; F562-A582 HydrophobicContact CE1-CB 4.13Å; F562-A582 HydrophobicContact CE2-CB 3.73Å; F562-A582 HydrophobicContact CZ-CB 3.41Å; F562-A582 VanDerWaalsContact CZ-CB 3.41Å; F562-D583 WeakPolarHBondContact CA-O 3.03Å; F562-V584 HydrophobicContact CD2-CG2 3.77Å; F562-V584 HydrophobicContact CE2-CG2 3.82Å; F562-L609 HydrophobicContact CD2-CD1 4.24Å; F562-L609 HydrophobicContact CD2-CD2 4.24Å; F562-L609 HydrophobicContact CE2-CD1 3.36Å; F562-L609 HydrophobicContact CE2-CD2 4.07Å; F562-L609 HydrophobicContact CE2-CG 4.35Å; F562-L609 HydrophobicContact CZ-CD1 3.72Å; F562-L677 HydrophobicContact CZ-CD1 4.19Å; F562-L677 HydrophobicContact CZ-CD2 4.34Å; F562-Y698 WeakPolarHBondContact CD1-O 3.32Å; F562-Y698 HydrophobicContact CE1-CD1 4.04Å; F562-Y698 HydrophobicContact CZ-CD1 4.36Å; F562-F701 AromaticContact CD1-CD2 3.92Å; F562-F701 HydrophobicContact CD1-CD2 3.92Å; F562-F701 HydrophobicContact CD2-CD2 4.3Å; F562-F701 AromaticContact CE1-CD2 3.81Å; F562-F701 HydrophobicContact CE1-CD2 3.81Å; F562-F701 HydrophobicContact CE1-CE2 4.04Å; F562-F701 HydrophobicContact CE2-CD2 4.23Å; F562-F701 HydrophobicContact CG-CD2 4.14Å; F562-F701 AromaticContact CZ-CD2 3.96Å; F562-F701 HydrophobicContact CZ-CD2 3.96Å; F562-F701 HydrophobicContact CZ-CE2 4.09Å |
| 563 | S | 96.9 | Very high | 95 | Very high | 49 Ų | 49 | 62 Ų | 62 | 34% | 0.343 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 135 | 175.6 | 57.8 | 0 | 0 | 0 | 0 | 111.6 | A582 D583 | S563-A582 CarbonylContact O-C 3.58Å; S563-A582 WeakPolarHBondContact O-CA 3.16Å; S563-A582 WeakPolarHBondContact O-CB 3.5Å; S563-D583 PolarHBondContact N-O 3.35Å; S563-D583 PolarHBondContact O-N 3.5Å |
| 564 | V | 97.3 | Very high | 94.7 | Very high | 50 Ų | 50 | 66.2 Ų | 66.2 | 30% | 0.303 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 122.4 | 168.5 | -178.7 | 0 | 0 | 0 | 0 | 108 | F562 V567 V580 A582 L677 Y682 Y698 | F562-V564 HydrophobicContact CE1-CG2 4.09Å; V564-V567 HydrophobicContact CG1-CG2 3.87Å; V564-V580 HydrophobicContact CG1-CG1 4.03Å; V564-A582 HydrophobicContact CG2-CB 4.44Å; V564-L677 HydrophobicContact CG2-CD1 4.17Å; V564-Y682 HydrophobicContact CG1-CE2 4.46Å; V564-Y682 HydrophobicContact CG2-CE2 4.44Å; V564-Y698 HydrophobicContact CG2-CD1 4.06Å; V564-Y698 HydrophobicContact CG2-CG 4.14Å |
| 565 | V | 95.5 | Very high | 94.3 | Very high | 75 Ų | 75 | 68.6 Ų | 68.6 | 46% | 0.455 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | -35.9 | -171.4 | -176.9 | 0 | 0 | 0 | 0 | 111.7 | R581 D583 | V565-R581 PolarHBondContact N-O 3.4Å; V565-D583 HydrophobicContact CG2-CB 3.96Å |
| 566 | E | 96.5 | Very high | 94.3 | Very high | 86 Ų | 86 | 67.5 Ų | 67.5 | 40% | 0.402 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 135.6 | -176.4 | -170.6 | -171.6 | 156.7 | 0 | 0 | 111 | V580 R581 | E566-V580 CarbonylContact O-C 3.51Å; E566-V580 WeakPolarHBondContact O-CA 3.26Å; E566-R581 HydrophobicContact CB-CB 4.06Å; E566-R581 HydrophobicContact CB-CG 4.35Å; E566-R581 PolarHBondContact N-O 2.93Å; E566-R581 PolarHBondContact O-N 3.17Å; E566-R581 IonicContact OE1-NH1 3.33Å; E566-R581 PolarHBondContact OE1-NH1 3.15Å; E566-R581 VanDerWaalsContact OE1-NH1 3.15Å; E566-R581 WeakPolarHBondContact OE2-CD 3.26Å; E566-R581 IonicContact OE2-CZ 2.72Å; E566-R581 IonicContact OE2-NE 3.1Å; E566-R581 IonicContact OE2-NH1 3.41Å; E566-R581 PolarHBondContact OE2-NH1 3.33Å |
| 567 | V | 97.2 | Very high | 94.2 | Very high | 68 Ų | 68 | 68.3 Ų | 68.3 | 41% | 0.412 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 110.7 | 170.1 | -176.3 | 0 | 0 | 0 | 0 | 107.7 | V564 P577 V580 Y682 | V564-V567 HydrophobicContact CG1-CG2 3.87Å; V567-P577 HydrophobicContact CG1-CB 3.8Å; V567-P577 HydrophobicContact CG1-CG 3.8Å; V567-V580 HydrophobicContact CG1-CG2 4.47Å; V567-V580 HydrophobicContact CG2-CG1 4.43Å; V567-Y682 HydrophobicContact CG1-CE1 4.09Å; V567-Y682 HydrophobicContact CG2-CE1 4.14Å |
| 568 | G | 96.4 | Very high | 94.1 | Very high | 11 Ų | 11 | 70 Ų | 70 | 11% | 0.113 | 41% | 0.412 | C | S | . | . | P | Polyproline II helix | trans | -71.9 | 147.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | P577 S578 I579 | G568-P577 WeakPolarHBondContact O-CA 3.22Å; G568-P577 WeakPolarHBondContact O-CB 3.22Å; G568-S578 PolarHBondContact O-N 3.43Å; G568-I579 PolarHBondContact N-O 3.28Å |
| 569 | K | 95.5 | Very high | 94.1 | Very high | 184 Ų | 184 | 69.5 Ų | 69.5 | 80% | 0.8 | 41% | 0.405 | S | S | * | . | P | Polyproline II helix | trans | -64.1 | 143.9 | 173.7 | -65.9 | -178.9 | -179.7 | 178.7 | 0 | 110.3 | S578 | K569-S578 WeakPolarHBondContact O-CB 3.36Å; K569-S578 PolarHBondContact O-N 3.25Å; K569-S578 PolarHBondContact O-OG 2.95Å |
| 570 | P | 94.4 | Very high | 94.1 | Very high | 75 Ų | 75 | 68.5 Ų | 68.5 | 49% | 0.487 | 40% | 0.4 | S | S | . | . | P | Polyproline II helix | trans | -54.5 | 141.7 | 174.8 | -26.7 | 35 | 0 | 0 | 0 | 112.9 | E574 C576 | P570-E574 WeakPolarHBondContact CB-O 3.39Å; P570-C576 VanDerWaalsContact CA-O 3.24Å; P570-C576 WeakPolarHBondContact CA-O 3.29Å; P570-C576 WeakPolarHBondContact CB-O 3.17Å; P570-C576 WeakPolarHBondContact CG-O 3.16Å |
| 571 | N | 92.1 | Very high | 94.2 | Very high | 83 Ų | 83 | 67.2 Ų | 67.2 | 44% | 0.444 | 39% | 0.387 | S | S | . | . | P | Polyproline II helix | trans | -70.8 | 163.1 | 170.8 | -62.4 | -52.1 | 0 | 0 | 0 | 110.7 | G573 E574 | N571-G573 PolarHBondContact O-N 3.24Å; N571-E574 HydrophobicContact CB-CB 4.39Å; N571-E574 HydrophobicContact CB-CG 4.31Å; N571-E574 WeakPolarHBondContact CB-OE2 3.31Å; N571-E574 PolarHBondContact ND2-OE2 3.21Å; N571-E574 PolarHBondContact O-N 3.32Å |
| 572 | V | 89.9 | Confident | 94.3 | Very high | 155 Ų | 155 | 63.1 Ų | 63.1 | 94% | 0.939 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | 121.9 | 177 | -179.9 | 0 | 0 | 0 | 0 | 110 | E574 | V572-E574 VanDerWaalsContact C-N 3.35Š|
| 573 | G | 83.5 | Confident | 94.3 | Very high | 82 Ų | 82 | 63.2 Ų | 63.2 | 85% | 0.845 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.2 | -7.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | N571 | N571-G573 PolarHBondContact O-N 3.24Š|
| 574 | E | 86.9 | Confident | 94.4 | Very high | 93 Ų | 93 | 60.9 Ų | 60.9 | 44% | 0.435 | 35% | 0.35 | S | S | . | . | trans | -101.2 | 144.7 | 175.5 | -66.8 | 177.2 | -179.5 | 0 | 0 | 110.8 | P570 N571 V572 | P570-E574 WeakPolarHBondContact CB-O 3.39Å; N571-E574 HydrophobicContact CB-CB 4.39Å; N571-E574 HydrophobicContact CB-CG 4.31Å; N571-E574 WeakPolarHBondContact CB-OE2 3.31Å; N571-E574 PolarHBondContact ND2-OE2 3.21Å; N571-E574 PolarHBondContact O-N 3.32Å; V572-E574 VanDerWaalsContact C-N 3.35Å | ||
| 575 | N | 86.2 | Confident | 94.3 | Very high | 123 Ų | 123 | 61.5 Ų | 61.5 | 66% | 0.658 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -103.8 | -1.6 | 177.9 | -67.4 | -31 | 0 | 0 | 0 | 112.8 | R683 | N575-R683 WeakPolarHBondContact O-CD 3.33Š|
| 576 | C | 92.6 | Very high | 94.4 | Very high | 13 Ų | 13 | 57.9 Ų | 57.9 | 9% | 0.088 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -106.1 | 158.4 | 177.7 | 54.2 | 0 | 0 | 0 | 0 | 110.4 | P570 N680 R683 | P570-C576 VanDerWaalsContact CA-O 3.24Å; P570-C576 WeakPolarHBondContact CA-O 3.29Å; P570-C576 WeakPolarHBondContact CB-O 3.17Å; P570-C576 WeakPolarHBondContact CG-O 3.16Å; C576-N680 PolarHBondContact SG-OD1 2.84Å; C576-R683 HydrophobicContact CB-CB 4.32Å |
| 577 | P | 95.9 | Very high | 94.3 | Very high | 17 Ų | 17 | 56.3 Ų | 56.3 | 11% | 0.11 | 33% | 0.325 | C | S | . | . | trans | -52.5 | 145 | 170.7 | -26.1 | 35.6 | 0 | 0 | 0 | 111.6 | V567 G568 I579 V580 S679 Y682 | V567-P577 HydrophobicContact CG1-CB 3.8Å; V567-P577 HydrophobicContact CG1-CG 3.8Å; G568-P577 WeakPolarHBondContact O-CA 3.22Å; G568-P577 WeakPolarHBondContact O-CB 3.22Å; P577-I579 PolarHBondContact O-N 3.35Å; P577-V580 HydrophobicContact CB-CG2 3.79Å; P577-V580 HydrophobicContact CG-CG2 4.06Å; P577-S679 WeakPolarHBondContact O-CB 3.49Å; P577-S679 PolarHBondContact O-OG 3.21Å; P577-Y682 HydrophobicContact CG-CD1 3.98Å | ||
| 578 | S | 95.4 | Very high | 94.1 | Very high | 49 Ų | 49 | 53.1 Ų | 53.1 | 34% | 0.343 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -68.3 | -26.7 | 176.2 | 47.8 | 0 | 0 | 0 | 0 | 112.9 | G568 K569 | G568-S578 PolarHBondContact O-N 3.43Å; K569-S578 WeakPolarHBondContact O-CB 3.36Å; K569-S578 PolarHBondContact O-N 3.25Å; K569-S578 PolarHBondContact O-OG 2.95Å |
| 579 | I | 96.5 | Very high | 93.8 | Very high | 40 Ų | 40 | 58 Ų | 58 | 21% | 0.205 | 33% | 0.329 | C | S | . | . | trans | -159.8 | 149.4 | 177.1 | -170.7 | 157.3 | 0 | 0 | 0 | 109.4 | G568 P577 R581 | G568-I579 PolarHBondContact N-O 3.28Å; P577-I579 PolarHBondContact O-N 3.35Å; I579-R581 HydrophobicContact CD1-CG 4.35Å; I579-R581 HydrophobicContact CG1-CG 4.22Å | ||
| 580 | V | 97.9 | Very high | 93.5 | Very high | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.006 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 113.5 | 171.3 | -176.1 | 0 | 0 | 0 | 0 | 108 | V564 E566 V567 P577 W676 L677 Y682 | V564-V580 HydrophobicContact CG1-CG1 4.03Å; E566-V580 CarbonylContact O-C 3.51Å; E566-V580 WeakPolarHBondContact O-CA 3.26Å; V567-V580 HydrophobicContact CG1-CG2 4.47Å; V567-V580 HydrophobicContact CG2-CG1 4.43Å; P577-V580 HydrophobicContact CB-CG2 3.79Å; P577-V580 HydrophobicContact CG-CG2 4.06Å; V580-W676 WeakPolarHBondContact O-CA 3.44Å; V580-L677 HydrophobicContact CB-CB 4.04Å; V580-L677 HydrophobicContact CG1-CB 3.95Å; V580-L677 HydrophobicContact CG1-CD1 3.68Å; V580-L677 HydrophobicContact CG1-CG 4.31Å; V580-L677 PolarHBondContact O-N 3.16Å; V580-Y682 HydrophobicContact CG1-CD2 3.77Å; V580-Y682 HydrophobicContact CG1-CE2 4.12Å; V580-Y682 HydrophobicContact CG1-CG 4.09Å; V580-Y682 HydrophobicContact CG2-CD1 4.05Å; V580-Y682 HydrophobicContact CG2-CD2 4.43Å; V580-Y682 HydrophobicContact CG2-CG 3.9Å |
| 581 | R | 98 | Very high | 93.3 | Very high | 48 Ų | 48 | 54.7 Ų | 54.7 | 18% | 0.181 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 138.2 | 178.2 | -62.4 | -171.5 | 165.2 | 87.5 | 4.5 | 110.8 | V565 E566 I579 E643 V675 | V565-R581 PolarHBondContact N-O 3.4Å; E566-R581 HydrophobicContact CB-CB 4.06Å; E566-R581 HydrophobicContact CB-CG 4.35Å; E566-R581 PolarHBondContact N-O 2.93Å; E566-R581 PolarHBondContact O-N 3.17Å; E566-R581 IonicContact OE1-NH1 3.33Å; E566-R581 PolarHBondContact OE1-NH1 3.15Å; E566-R581 VanDerWaalsContact OE1-NH1 3.15Å; E566-R581 WeakPolarHBondContact OE2-CD 3.26Å; E566-R581 IonicContact OE2-CZ 2.72Å; E566-R581 IonicContact OE2-NE 3.1Å; E566-R581 IonicContact OE2-NH1 3.41Å; E566-R581 PolarHBondContact OE2-NH1 3.33Å; I579-R581 HydrophobicContact CD1-CG 4.35Å; I579-R581 HydrophobicContact CG1-CG 4.22Å; R581-E643 WeakPolarHBondContact CD-OE2 3.38Å; R581-E643 IonicContact CZ-OE1 3.97Å; R581-E643 IonicContact NE-OE1 2.93Å; R581-E643 PolarHBondContact NE-OE1 2.98Å; R581-E643 IonicContact NE-OE2 3.28Å; R581-E643 PolarHBondContact NE-OE2 3.14Å; R581-E643 IonicContact NH2-OE1 3.94Å; R581-E643 PolarHBondContact NH2-OE1 3.23Å; R581-V675 WeakPolarHBondContact CA-O 3.04Å |
| 582 | A | 98.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 152.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | F562 S563 V564 R674 V675 L677 | F562-A582 HydrophobicContact CE1-CB 4.13Å; F562-A582 HydrophobicContact CE2-CB 3.73Å; F562-A582 HydrophobicContact CZ-CB 3.41Å; F562-A582 VanDerWaalsContact CZ-CB 3.41Å; S563-A582 CarbonylContact O-C 3.58Å; S563-A582 WeakPolarHBondContact O-CA 3.16Å; S563-A582 WeakPolarHBondContact O-CB 3.5Å; V564-A582 HydrophobicContact CG2-CB 4.44Å; A582-R674 CarbonylContact O-C 3.6Å; A582-R674 WeakPolarHBondContact O-CA 3.47Å; A582-V675 HydrophobicContact CB-CG2 4.04Å; A582-V675 PolarHBondContact N-O 3.07Å; A582-V675 WeakPolarHBondContact O-CG2 3.46Å; A582-V675 PolarHBondContact O-N 3.47Å; A582-L677 HydrophobicContact CB-CD1 3.89Å; A582-L677 HydrophobicContact CB-CG 4.25Å |
| 583 | D | 97.8 | Very high | 92.9 | Very high | 25 Ų | 25 | 52.4 Ų | 52.4 | 13% | 0.134 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 129.8 | 174.1 | -73 | -9.4 | 0 | 0 | 0 | 109.1 | F562 S563 V565 L646 T672 F673 R674 | F562-D583 WeakPolarHBondContact CA-O 3.03Å; S563-D583 PolarHBondContact N-O 3.35Å; S563-D583 PolarHBondContact O-N 3.5Å; V565-D583 HydrophobicContact CG2-CB 3.96Å; D583-L646 WeakPolarHBondContact OD2-CD1 3.43Å; D583-T672 HydrophobicContact CB-CG2 3.88Å; D583-F673 CarbonylContact C-O 3.59Å; D583-F673 WeakPolarHBondContact CA-O 3.15Å; D583-R674 WeakPolarHBondContact OD1-CB 3.34Å; D583-R674 WeakPolarHBondContact OD1-CG 3.45Å; D583-R674 IonicContact OD1-CZ 3.7Å; D583-R674 IonicContact OD1-NE 3.08Å; D583-R674 PolarHBondContact OD1-NE 2.98Å; D583-R674 IonicContact OD1-NH2 3.52Å; D583-R674 PolarHBondContact OD1-NH2 3.31Å; D583-R674 IonicContact OD2-CZ 3.95Å; D583-R674 IonicContact OD2-NE 3.34Å; D583-R674 IonicContact OD2-NH2 3.6Å; D583-R674 PolarHBondContact OD2-NH2 3.38Å; D583-R674 VanDerWaalsContact OD2-NH2 3.08Å |
| 584 | V | 97.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 117.5 | 178.8 | -171.6 | 0 | 0 | 0 | 0 | 108.8 | I559 F562 L586 L609 T672 F673 V675 I704 | I559-V584 HydrophobicContact CD1-CG1 4.38Å; I559-V584 HydrophobicContact CG1-CG1 4.11Å; I559-V584 HydrophobicContact CG2-CG1 4.24Å; F562-V584 HydrophobicContact CD2-CG2 3.77Å; F562-V584 HydrophobicContact CE2-CG2 3.82Å; V584-L586 HydrophobicContact CG1-CD2 4Å; V584-L586 HydrophobicContact CG1-CG 4.32Å; V584-L609 HydrophobicContact CG2-CD2 4.01Å; V584-T672 CarbonylContact O-C 3.56Å; V584-T672 WeakPolarHBondContact O-CA 3.41Å; V584-F673 PolarHBondContact N-O 2.79Å; V584-F673 PolarHBondContact O-N 3.3Å; V584-V675 HydrophobicContact CG2-CG1 4.01Å; V584-V675 HydrophobicContact CG2-CG2 3.9Å; V584-I704 HydrophobicContact CG1-CD1 4.14Å |
| 585 | Q | 97 | Very high | 93.4 | Very high | 63 Ų | 63 | 47.3 Ų | 47.3 | 29% | 0.294 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 134.3 | 173.3 | -92.1 | -179.6 | -1.7 | 0 | 0 | 112.2 | T560 N561 I670 R671 T672 | T560-Q585 WeakPolarHBondContact CB-O 3.42Å; T560-Q585 PolarHBondContact N-O 2.81Å; N561-Q585 HydrophobicContact CB-CB 4.05Å; N561-Q585 PolarHBondContact O-N 2.94Å; Q585-I670 HydrophobicContact CG-CG2 4.19Å; Q585-R671 CarbonylContact C-O 3.6Å; Q585-R671 WeakPolarHBondContact CA-O 3.47Å; Q585-T672 HydrophobicContact CG-CG2 3.91Å; Q585-T672 WeakPolarHBondContact CG-OG1 3.42Å; Q585-T672 PolarHBondContact NE2-OG1 2.91Å |
| 586 | L | 96.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 146.1 | 179.9 | -54.6 | 176.1 | 0 | 0 | 0 | 110.6 | L557 I559 V584 L588 W598 I670 R671 F673 I704 | L557-L586 HydrophobicContact CB-CD2 4.47Å; L557-L586 HydrophobicContact CD1-CD1 4.34Å; I559-L586 HydrophobicContact CG1-CD2 4.28Å; V584-L586 HydrophobicContact CG1-CD2 4Å; V584-L586 HydrophobicContact CG1-CG 4.32Å; L586-L588 HydrophobicContact CB-CD2 4.3Å; L586-W598 HydrophobicContact CD1-CE3 4.26Å; L586-W598 HydrophobicContact CD1-CZ3 4.19Å; L586-I670 CarbonylContact O-C 3.48Å; L586-I670 VanDerWaalsContact O-CA 3.31Å; L586-I670 WeakPolarHBondContact O-CA 3.32Å; L586-R671 PolarHBondContact N-O 2.87Å; L586-R671 PolarHBondContact O-N 3.39Å; L586-F673 HydrophobicContact CD1-CD2 4.02Å; L586-F673 HydrophobicContact CD1-CE2 4.07Å; L586-I704 HydrophobicContact CD1-CG2 3.86Å; L586-I704 HydrophobicContact CD2-CB 4.43Å; L586-I704 HydrophobicContact CD2-CG2 3.4Å; L586-I704 HydrophobicContact CG-CG2 4.28Å |
| 587 | T | 95.3 | Very high | 93.4 | Very high | 53 Ų | 53 | 46.6 Ų | 46.6 | 33% | 0.325 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 109.4 | 172.9 | -60.6 | 0 | 0 | 0 | 0 | 109.9 | T560 N589 | T560-T587 PolarHBondContact OG1-OG1 3.45Å; T587-N589 VanDerWaalsContact C-N 3.32Å; T587-N589 PolarHBondContact O-N 2.97Å; T587-N589 VanDerWaalsContact O-N 3.13Å |
| 588 | L | 92.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 24% | 0.237 | C | C | . | . | trans | -89.5 | 55 | -174.1 | -57.3 | -174.8 | 0 | 0 | 0 | 113.2 | L557 L586 L590 R595 W598 L599 N669 R671 | L557-L588 HydrophobicContact CD1-CD2 3.65Å; L586-L588 HydrophobicContact CB-CD2 4.3Å; L588-L590 HydrophobicContact CD2-CD1 4.27Å; L588-L590 PolarHBondContact O-N 3Å; L588-R595 HydrophobicContact CB-CG 4.4Å; L588-W598 HydrophobicContact CD1-CB 4.4Å; L588-W598 HydrophobicContact CD2-CB 4.02Å; L588-W598 HydrophobicContact CD2-CG 4.32Å; L588-L599 HydrophobicContact CD1-CD2 3.62Å; L588-L599 HydrophobicContact CD1-CG 3.9Å; L588-N669 PolarHBondContact N-O 3.02Å; L588-R671 HydrophobicContact CD1-CB 4.21Å; L588-R671 HydrophobicContact CD1-CG 3.58Å; L588-R671 HydrophobicContact CG-CG 4.16Å | ||
| 589 | N | 89.4 | Confident | 93 | Very high | 115 Ų | 115 | 44 Ų | 44 | 62% | 0.615 | 22% | 0.224 | S | C | * | . | trans | -80.5 | 62.4 | 173.1 | -71.7 | -16.7 | 0 | 0 | 0 | 111 | T587 N669 | T587-N589 VanDerWaalsContact C-N 3.32Å; T587-N589 PolarHBondContact O-N 2.97Å; T587-N589 VanDerWaalsContact O-N 3.13Å; N589-N669 WeakPolarHBondContact OD1-CB 3.18Å; N589-N669 PolarHBondContact OD1-ND2 3.25Å | ||
| 590 | L | 90.5 | Very high | 92.5 | Very high | 43 Ų | 43 | 45 Ų | 45 | 23% | 0.225 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -120.2 | 163.2 | -171 | -58.2 | 169.4 | 0 | 0 | 0 | 111.2 | L557 L588 I594 R595 W598 | L557-L590 HydrophobicContact CD1-CD1 4.02Å; L557-L590 HydrophobicContact CD2-CD1 3.89Å; L557-L590 HydrophobicContact CD2-CD2 3.91Å; L557-L590 HydrophobicContact CD2-CG 4.4Å; L588-L590 HydrophobicContact CD2-CD1 4.27Å; L588-L590 PolarHBondContact O-N 3Å; L590-I594 HydrophobicContact CB-CB 4.34Å; L590-I594 HydrophobicContact CB-CG2 4.32Å; L590-I594 HydrophobicContact CD1-CG2 3.95Å; L590-R595 HydrophobicContact CB-CB 4.23Å; L590-W598 HydrophobicContact CD1-CG 4.34Å |
| 591 | R | 89 | Confident | 92.1 | Very high | 146 Ų | 146 | 46 Ų | 46 | 55% | 0.551 | 24% | 0.235 | S | C | * | . | trans | -55 | 147.7 | 168.6 | -68.8 | -176.1 | 176.9 | 164.7 | 1.5 | 110.3 | D593 I594 R595 E1455 | R591-D593 VanDerWaalsContact C-N 3.29Å; R591-D593 WeakPolarHBondContact CB-OD1 3.47Å; R591-D593 PolarHBondContact O-N 3.06Å; R591-I594 HydrophobicContact CB-CD1 4.49Å; R591-I594 PolarHBondContact O-N 3.31Å; R591-R595 VanDerWaalsContact O-CB 3.31Å; R591-R595 WeakPolarHBondContact O-CB 3.4Å; R591-R595 PolarHBondContact O-N 3.39Å; R591-E1455 IonicContact CZ-OE1 3.7Å; R591-E1455 IonicContact NH1-OE1 3.88Å; R591-E1455 PolarHBondContact NH1-OE1 3.09Å | ||
| 592 | P | 87.5 | Confident | 91.2 | Very high | 112 Ų | 112 | 49.1 Ų | 49.1 | 73% | 0.727 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -55.4 | -38.4 | -173.2 | -27.7 | 35.5 | 0 | 0 | 0 | 114.7 | S596 | P592-S596 WeakPolarHBondContact O-CB 3.37Å; P592-S596 PolarHBondContact O-N 3.5Å |
| 593 | D | 87.7 | Confident | 90.5 | Very high | 77 Ų | 77 | 54.7 Ų | 54.7 | 41% | 0.412 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -63.9 | -50 | 177.7 | 64.4 | -47.4 | 0 | 0 | 0 | 111.5 | R554 R591 S596 E597 | R554-D593 IonicContact NH1-OD2 3.88Å; R554-D593 IonicContact NH2-OD2 3.94Å; R591-D593 VanDerWaalsContact C-N 3.29Å; R591-D593 WeakPolarHBondContact CB-OD1 3.47Å; R591-D593 PolarHBondContact O-N 3.06Å; D593-S596 WeakPolarHBondContact O-CB 3.5Å; D593-S596 PolarHBondContact O-N 3.39Å; D593-E597 PolarHBondContact O-N 3.39Å; D593-E597 VanDerWaalsContact O-N 3.13Å |
| 594 | I | 90 | Very high | 89.9 | Confident | 4 Ų | 4 | 58.3 Ų | 58.3 | 2% | 0.021 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -67.9 | -41.3 | 178.8 | -56.5 | 178 | 0 | 0 | 0 | 110.5 | W552 R554 L590 R591 S596 E597 W598 | W552-I594 HydrophobicContact CE3-CD1 4.47Å; W552-I594 HydrophobicContact CH2-CD1 4.13Å; W552-I594 HydrophobicContact CZ3-CD1 3.59Å; R554-I594 HydrophobicContact CG-CD1 4.24Å; R554-I594 HydrophobicContact CG-CG1 4.16Å; R554-I594 HydrophobicContact CG-CG2 4.1Å; L590-I594 HydrophobicContact CB-CB 4.34Å; L590-I594 HydrophobicContact CB-CG2 4.32Å; L590-I594 HydrophobicContact CD1-CG2 3.95Å; R591-I594 HydrophobicContact CB-CD1 4.49Å; R591-I594 PolarHBondContact O-N 3.31Å; I594-S596 VanDerWaalsContact C-N 3.28Å; I594-S596 PolarHBondContact O-N 3.4Å; I594-E597 WeakPolarHBondContact O-CB 3.42Å; I594-E597 PolarHBondContact O-N 3.32Å; I594-E597 VanDerWaalsContact O-N 3.13Å; I594-W598 VanDerWaalsContact O-CD1 3.28Å; I594-W598 PolarHBondContact O-N 3.17Å; I594-W598 VanDerWaalsContact O-N 3.11Å |
| 595 | R | 90.5 | Very high | 89.4 | Confident | 65 Ų | 65 | 60 Ų | 60 | 25% | 0.245 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -57.7 | -44.1 | 175.3 | -179.2 | 179.8 | 177.8 | 158.4 | 7.4 | 110.6 | L588 L590 R591 E597 W598 L599 N669 | L588-R595 HydrophobicContact CB-CG 4.4Å; L590-R595 HydrophobicContact CB-CB 4.23Å; R591-R595 VanDerWaalsContact O-CB 3.31Å; R591-R595 WeakPolarHBondContact O-CB 3.4Å; R591-R595 PolarHBondContact O-N 3.39Å; R595-E597 VanDerWaalsContact C-N 3.31Å; R595-E597 PolarHBondContact O-N 3Å; R595-W598 PolarHBondContact O-N 3.27Å; R595-L599 HydrophobicContact CG-CD1 3.76Å; R595-L599 HydrophobicContact CG-CG 4.36Å; R595-L599 WeakPolarHBondContact O-CB 3.35Å; R595-L599 VanDerWaalsContact O-CG 3.26Å; R595-L599 WeakPolarHBondContact O-CG 3.48Å; R595-L599 PolarHBondContact O-N 3.39Å; R595-N669 PolarHBondContact NH1-OD1 2.92Å; R595-N669 VanDerWaalsContact NH1-OD1 3.09Å; R595-N669 PolarHBondContact NH2-OD1 2.55Å |
| 596 | S | 88.2 | Confident | 89.2 | Confident | 58 Ų | 58 | 57.2 Ų | 57.2 | 41% | 0.406 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -59.2 | -41.5 | 175.7 | -172.8 | 0 | 0 | 0 | 0 | 111.6 | P592 D593 I594 W598 L599 N600 | P592-S596 WeakPolarHBondContact O-CB 3.37Å; P592-S596 PolarHBondContact O-N 3.5Å; D593-S596 WeakPolarHBondContact O-CB 3.5Å; D593-S596 PolarHBondContact O-N 3.39Å; I594-S596 VanDerWaalsContact C-N 3.28Å; I594-S596 PolarHBondContact O-N 3.4Å; S596-W598 PolarHBondContact O-N 3.02Å; S596-L599 PolarHBondContact O-N 3.5Å; S596-N600 VanDerWaalsContact O-CB 3.29Å; S596-N600 WeakPolarHBondContact O-CB 3.24Å; S596-N600 VanDerWaalsContact O-CG 3.31Å; S596-N600 PolarHBondContact O-N 3.04Å; S596-N600 PolarHBondContact O-ND2 3.46Å; S596-N600 PolarHBondContact OG-ND2 3.18Å |
| 597 | E | 89.7 | Confident | 89.2 | Confident | 62 Ų | 62 | 57.2 Ų | 57.2 | 29% | 0.29 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -61.6 | -43.4 | 176.1 | -67.1 | -177.2 | 176.1 | 0 | 0 | 113.4 | R554 D593 I594 R595 N600 R706 | R554-E597 IonicContact CZ-OE1 2.65Å; R554-E597 IonicContact CZ-OE2 2.9Å; R554-E597 IonicContact NE-OE1 2.68Å; R554-E597 PolarHBondContact NE-OE1 2.86Å; R554-E597 IonicContact NE-OE2 2.75Å; R554-E597 PolarHBondContact NE-OE2 2.82Å; R554-E597 IonicContact NH2-OE1 3.2Å; R554-E597 PolarHBondContact NH2-OE1 3.33Å; R554-E597 IonicContact NH2-OE2 3.79Å; D593-E597 PolarHBondContact O-N 3.39Å; D593-E597 VanDerWaalsContact O-N 3.13Å; I594-E597 WeakPolarHBondContact O-CB 3.42Å; I594-E597 PolarHBondContact O-N 3.32Å; I594-E597 VanDerWaalsContact O-N 3.13Å; R595-E597 VanDerWaalsContact C-N 3.31Å; R595-E597 PolarHBondContact O-N 3Å; E597-N600 PolarHBondContact O-N 3.2Å; E597-R706 IonicContact OE2-CZ 3.29Å; E597-R706 IonicContact OE2-NH1 3.07Å; E597-R706 PolarHBondContact OE2-NH1 3.44Å; E597-R706 IonicContact OE2-NH2 3.5Å; E597-R706 PolarHBondContact OE2-NH2 3.09Å |
| 598 | W | 92.5 | Very high | 89.3 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -69.4 | -36.4 | 177.5 | -78.5 | 97.5 | 0 | 0 | 0 | 112.7 | R554 L557 L586 L588 L590 I594 R595 S596 N600 L601 I704 R706 | R554-W598 PolarHBondContact O-NE1 3.08Å; R554-W598 VanDerWaalsContact O-NE1 3.09Å; L557-W598 HydrophobicContact CB-CH2 4.46Å; L557-W598 HydrophobicContact CB-CZ2 4.41Å; L557-W598 HydrophobicContact CD1-CD2 3.62Å; L557-W598 VanDerWaalsContact CD1-CE2 3.5Å; L557-W598 HydrophobicContact CD1-CE3 3.98Å; L557-W598 HydrophobicContact CD1-CG 4.1Å; L557-W598 HydrophobicContact CD1-CH2 4.11Å; L557-W598 HydrophobicContact CD1-CZ2 3.77Å; L557-W598 HydrophobicContact CD1-CZ3 4.21Å; L557-W598 HydrophobicContact CG-CD2 4.38Å; L557-W598 HydrophobicContact CG-CH2 4.06Å; L557-W598 HydrophobicContact CG-CZ2 3.59Å; L586-W598 HydrophobicContact CD1-CE3 4.26Å; L586-W598 HydrophobicContact CD1-CZ3 4.19Å; L588-W598 HydrophobicContact CD1-CB 4.4Å; L588-W598 HydrophobicContact CD2-CB 4.02Å; L588-W598 HydrophobicContact CD2-CG 4.32Å; L590-W598 HydrophobicContact CD1-CG 4.34Å; I594-W598 VanDerWaalsContact O-CD1 3.28Å; I594-W598 PolarHBondContact O-N 3.17Å; I594-W598 VanDerWaalsContact O-N 3.11Å; R595-W598 PolarHBondContact O-N 3.27Å; S596-W598 PolarHBondContact O-N 3.02Å; W598-N600 PolarHBondContact O-N 3.47Å; W598-L601 HydrophobicContact CE3-CD1 3.81Å; W598-L601 HydrophobicContact CZ3-CD1 4.19Å; W598-L601 WeakPolarHBondContact O-CG 3.35Å; W598-L601 PolarHBondContact O-N 2.81Å; W598-I704 HydrophobicContact CH2-CG2 4.19Å; W598-I704 HydrophobicContact CZ3-CG2 4.23Å; W598-R706 VanDerWaalsContact CE2-NE 3.31Å; W598-R706 HydrophobicContact CH2-CB 4.04Å; W598-R706 HydrophobicContact CH2-CG 3.64Å; W598-R706 HydrophobicContact CZ2-CG 3.79Å; W598-R706 HydrophobicContact CZ3-CB 4.17Å; W598-R706 HydrophobicContact CZ3-CG 4.04Å |
| 599 | L | 90.7 | Very high | 89.6 | Confident | 12 Ų | 12 | 54.8 Ų | 54.8 | 6% | 0.063 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -70.2 | -19.5 | 174.3 | -69.3 | 171 | 0 | 0 | 0 | 112.5 | L588 R595 S596 M645 Y656 R671 | L588-L599 HydrophobicContact CD1-CD2 3.62Å; L588-L599 HydrophobicContact CD1-CG 3.9Å; R595-L599 HydrophobicContact CG-CD1 3.76Å; R595-L599 HydrophobicContact CG-CG 4.36Å; R595-L599 WeakPolarHBondContact O-CB 3.35Å; R595-L599 VanDerWaalsContact O-CG 3.26Å; R595-L599 WeakPolarHBondContact O-CG 3.48Å; R595-L599 PolarHBondContact O-N 3.39Å; S596-L599 PolarHBondContact O-N 3.5Å; L599-M645 HydrophobicContact CD2-CE 4.45Å; L599-M645 HydrophobicContact CD2-SD 4.04Å; L599-Y656 HydrophobicContact CB-CD1 3.79Å; L599-Y656 HydrophobicContact CB-CE1 3.69Å; L599-Y656 HydrophobicContact CD1-CE1 3.65Å; L599-Y656 HydrophobicContact CD2-CE1 4.08Å; L599-Y656 HydrophobicContact CG-CE1 4.01Å; L599-R671 HydrophobicContact CD2-CG 4.03Å |
| 600 | N | 86.7 | Confident | 90 | Very high | 61 Ų | 61 | 49.3 Ų | 49.3 | 33% | 0.326 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | 5.5 | 178.3 | -81.5 | -41 | 0 | 0 | 0 | 114.8 | S596 E597 W598 R602 | S596-N600 VanDerWaalsContact O-CB 3.29Å; S596-N600 WeakPolarHBondContact O-CB 3.24Å; S596-N600 VanDerWaalsContact O-CG 3.31Å; S596-N600 PolarHBondContact O-N 3.04Å; S596-N600 PolarHBondContact O-ND2 3.46Å; S596-N600 PolarHBondContact OG-ND2 3.18Å; E597-N600 PolarHBondContact O-N 3.2Å; W598-N600 PolarHBondContact O-N 3.47Å; N600-R602 VanDerWaalsContact CA-NH1 3.29Å; N600-R602 WeakPolarHBondContact O-CG 3.14Å; N600-R602 PolarHBondContact O-N 2.94Å; N600-R602 PolarHBondContact O-NH1 3.35Å; N600-R602 PolarHBondContact OD1-NH1 2.93Å; N600-R602 PolarHBondContact OD1-NH2 3.05Å |
| 601 | L | 88.1 | Confident | 90.3 | Very high | 21 Ų | 21 | 47.3 Ų | 47.3 | 11% | 0.11 | 23% | 0.228 | C | C | . | . | trans | -56.4 | 126.7 | 171.7 | -72.5 | 174.6 | 0 | 0 | 0 | 110.3 | W598 D605 I642 F673 R706 | W598-L601 HydrophobicContact CE3-CD1 3.81Å; W598-L601 HydrophobicContact CZ3-CD1 4.19Å; W598-L601 WeakPolarHBondContact O-CG 3.35Å; W598-L601 PolarHBondContact O-N 2.81Å; L601-D605 WeakPolarHBondContact CA-OD2 3.43Å; L601-D605 HydrophobicContact CD2-CB 4.26Å; L601-I642 HydrophobicContact CB-CG1 4.43Å; L601-I642 HydrophobicContact CD1-CD1 4.42Å; L601-F673 HydrophobicContact CB-CE1 4.19Å; L601-F673 HydrophobicContact CD1-CE1 4.28Å; L601-F673 HydrophobicContact CD1-CZ 4.37Å; L601-R706 HydrophobicContact CD2-CB 4.44Å | ||
| 602 | R | 80.6 | Confident | 90.7 | Very high | 114 Ų | 114 | 40.4 Ų | 40.4 | 43% | 0.43 | 20% | 0.202 | S | C | . | . | trans | -104.8 | 161.9 | -176.1 | -59.5 | -56.9 | -177.7 | -123.7 | -3.5 | 110.8 | N600 H604 D605 I642 | N600-R602 VanDerWaalsContact CA-NH1 3.29Å; N600-R602 WeakPolarHBondContact O-CG 3.14Å; N600-R602 PolarHBondContact O-N 2.94Å; N600-R602 PolarHBondContact O-NH1 3.35Å; N600-R602 PolarHBondContact OD1-NH1 2.93Å; N600-R602 PolarHBondContact OD1-NH2 3.05Å; R602-H604 PolarHBondContact O-N 2.68Å; R602-D605 PolarHBondContact N-OD2 3.18Å; R602-D605 VanDerWaalsContact O-CB 3.3Å; R602-D605 WeakPolarHBondContact O-CB 3.42Å; R602-D605 PolarHBondContact O-N 3.19Å; R602-D605 VanDerWaalsContact O-N 3.08Å; R602-I642 WeakPolarHBondContact O-CB 3.38Å; R602-I642 WeakPolarHBondContact O-CG2 3.23Å | ||
| 603 | K | 82.9 | Confident | 91 | Very high | 118 Ų | 118 | 39.9 Ų | 39.9 | 51% | 0.513 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | 137.8 | 169 | -171.3 | -179.4 | -179.4 | 172.2 | 0 | 109.8 | D605 I642 W676 | K603-D605 VanDerWaalsContact C-N 3.3Å; K603-I642 CarbonylContact C-O 3.51Å; K603-I642 VanDerWaalsContact CA-O 3.28Å; K603-I642 WeakPolarHBondContact CA-O 3.46Å; K603-W676 VanDerWaalsContact CE-CH2 3.49Å |
| 604 | H | 83.9 | Confident | 91.2 | Very high | 100 Ų | 100 | 36.7 Ų | 36.7 | 46% | 0.463 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.4 | -2.7 | -175.6 | -50.8 | -69.4 | 0 | 0 | 0 | 116.3 | R602 V606 E641 I642 W676 | R602-H604 PolarHBondContact O-N 2.68Å; H604-V606 PolarHBondContact O-N 2.87Å; H604-E641 VanDerWaalsContact CA-CG 3.49Å; H604-E641 VanDerWaalsContact CA-OE1 3.26Å; H604-E641 WeakPolarHBondContact CA-OE1 3.08Å; H604-E641 HydrophobicContact CB-CG 4.41Å; H604-E641 VanDerWaalsContact CB-OE1 3.25Å; H604-E641 WeakPolarHBondContact CB-OE1 3.34Å; H604-E641 IonicContact CE1-OE1 4Å; H604-E641 IonicContact CG-OE1 3.09Å; H604-E641 VanDerWaalsContact CG-OE1 3.29Å; H604-E641 IonicContact ND1-OE1 3.84Å; H604-E641 PolarHBondContact ND1-OE1 3.27Å; H604-I642 PolarHBondContact N-O 3.25Å; H604-W676 AromaticContact CE1-CZ3 3.68Å; H604-W676 AromaticContact ND1-CZ3 3.82Å |
| 605 | D | 87.9 | Confident | 91.1 | Very high | 36 Ų | 36 | 40.7 Ų | 40.7 | 19% | 0.193 | 20% | 0.198 | C | C | . | . | trans | -64 | 130.3 | 171.6 | -80.4 | -19.9 | 0 | 0 | 0 | 110.5 | L601 R602 K603 E641 I642 | L601-D605 WeakPolarHBondContact CA-OD2 3.43Å; L601-D605 HydrophobicContact CD2-CB 4.26Å; R602-D605 PolarHBondContact N-OD2 3.18Å; R602-D605 VanDerWaalsContact O-CB 3.3Å; R602-D605 WeakPolarHBondContact O-CB 3.42Å; R602-D605 PolarHBondContact O-N 3.19Å; R602-D605 VanDerWaalsContact O-N 3.08Å; K603-D605 VanDerWaalsContact C-N 3.3Å; D605-E641 CarbonylContact O-C 3.55Å; D605-E641 WeakPolarHBondContact O-CA 3.21Å; D605-I642 HydrophobicContact CB-CB 4.3Å; D605-I642 HydrophobicContact CB-CG1 3.93Å; D605-I642 WeakPolarHBondContact O-CG1 3.4Å; D605-I642 PolarHBondContact O-N 2.95Å | ||
| 606 | V | 92.6 | Very high | 91.1 | Very high | 4 Ų | 4 | 38.2 Ų | 38.2 | 2% | 0.024 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 133 | 178 | 173.4 | 0 | 0 | 0 | 0 | 110.7 | Y470 H604 F608 C640 N712 F714 K715 | Y470-V606 HydrophobicContact CD1-CG1 4.13Å; Y470-V606 HydrophobicContact CE1-CB 4.4Å; Y470-V606 HydrophobicContact CE1-CG1 3.48Å; Y470-V606 VanDerWaalsContact CE1-CG1 3.48Å; Y470-V606 HydrophobicContact CE1-CG2 4Å; H604-V606 PolarHBondContact O-N 2.87Å; V606-F608 HydrophobicContact CG1-CE2 3.92Å; V606-F608 HydrophobicContact CG1-CZ 4.13Å; V606-C640 CarbonylContact C-O 3.59Å; V606-C640 WeakPolarHBondContact CA-O 3.43Å; V606-N712 WeakPolarHBondContact CB-OD1 3.38Å; V606-N712 PolarHBondContact N-ND2 3.47Å; V606-N712 VanDerWaalsContact N-ND2 3.14Å; V606-N712 PolarHBondContact O-ND2 3.07Å; V606-F714 HydrophobicContact CG1-CE1 3.98Å; V606-F714 HydrophobicContact CG1-CZ 4.03Å; V606-K715 HydrophobicContact CG2-CB 4.22Å |
| 607 | C | 96.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 165.1 | 173.1 | -69.7 | 0 | 0 | 0 | 0 | 110.4 | G639 C640 I704 I705 | C607-G639 CarbonylContact O-C 3.55Å; C607-G639 WeakPolarHBondContact O-CA 3.44Å; C607-C640 PolarHBondContact N-O 3.01Å; C607-C640 PolarHBondContact O-N 3.12Å; C607-I704 HydrophobicContact CB-CD1 4.02Å; C607-I704 HydrophobicContact CB-CG1 4.12Å; C607-I705 CarbonylContact C-O 3.56Å; C607-I705 WeakPolarHBondContact CA-O 3.48Å |
| 608 | F | 98.1 | Very high | 91.3 | Very high | 2 Ų | 2 | 39.5 Ų | 39.5 | 1% | 0.009 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 125.9 | 177.3 | -67.3 | -90.4 | 0 | 0 | 0 | 110.1 | Y470 P471 I524 V606 V610 V637 R638 I704 I705 R707 F714 | Y470-F608 HydrophobicContact CD1-CE1 4.48Å; P471-F608 HydrophobicContact CG-CE1 4.23Å; I524-F608 HydrophobicContact CB-CZ 4.38Å; I524-F608 HydrophobicContact CD1-CE1 4.02Å; I524-F608 HydrophobicContact CD1-CE2 4.24Å; I524-F608 HydrophobicContact CD1-CZ 3.42Å; I524-F608 VanDerWaalsContact CD1-CZ 3.42Å; I524-F608 HydrophobicContact CG1-CE1 4.39Å; I524-F608 HydrophobicContact CG1-CE2 4.04Å; I524-F608 HydrophobicContact CG1-CZ 3.67Å; I524-F608 HydrophobicContact CG2-CD1 4.09Å; I524-F608 HydrophobicContact CG2-CD2 4.42Å; I524-F608 HydrophobicContact CG2-CE1 3.74Å; I524-F608 HydrophobicContact CG2-CE2 4.13Å; I524-F608 HydrophobicContact CG2-CG 4.41Å; I524-F608 HydrophobicContact CG2-CZ 3.77Å; V606-F608 HydrophobicContact CG1-CE2 3.92Å; V606-F608 HydrophobicContact CG1-CZ 4.13Å; F608-V610 HydrophobicContact CB-CG2 4.43Å; F608-V637 HydrophobicContact CD1-CG1 3.95Å; F608-R638 CarbonylContact C-O 3.6Å; F608-R638 WeakPolarHBondContact CA-O 3.34Å; F608-I704 CarbonylContact O-C 3.52Å; F608-I704 WeakPolarHBondContact O-CA 3.45Å; F608-I705 HydrophobicContact CB-CB 4.37Å; F608-I705 PolarHBondContact N-O 3.45Å; F608-I705 PolarHBondContact O-N 3.43Å; F608-R707 HydrophobicContact CD2-CG 4.35Å; F608-R707 HydrophobicContact CE2-CG 4.13Å; F608-F714 HydrophobicContact CZ-CE1 4.22Å; F608-F714 AromaticContact CZ-CZ 3.82Å; F608-F714 HydrophobicContact CZ-CZ 3.82Å |
| 609 | L | 98.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 124.9 | 171.5 | -56.8 | 167.2 | 0 | 0 | 0 | 107.6 | I559 F562 V584 V637 R638 C640 L677 F701 I704 | I559-L609 HydrophobicContact CD1-CD2 3.79Å; F562-L609 HydrophobicContact CD2-CD1 4.24Å; F562-L609 HydrophobicContact CD2-CD2 4.24Å; F562-L609 HydrophobicContact CE2-CD1 3.36Å; F562-L609 HydrophobicContact CE2-CD2 4.07Å; F562-L609 HydrophobicContact CE2-CG 4.35Å; F562-L609 HydrophobicContact CZ-CD1 3.72Å; V584-L609 HydrophobicContact CG2-CD2 4.01Å; L609-V637 CarbonylContact O-C 3.56Å; L609-V637 WeakPolarHBondContact O-CA 3.19Å; L609-R638 PolarHBondContact N-O 3.1Å; L609-R638 PolarHBondContact O-N 3.28Å; L609-C640 HydrophobicContact CD1-CB 4.28Å; L609-L677 HydrophobicContact CD1-CD2 3.7Å; L609-F701 HydrophobicContact CB-CB 4.35Å; L609-F701 HydrophobicContact CB-CD1 3.69Å; L609-F701 HydrophobicContact CB-CD2 3.94Å; L609-F701 HydrophobicContact CB-CE1 3.92Å; L609-F701 HydrophobicContact CB-CE2 4.13Å; L609-F701 HydrophobicContact CB-CG 3.73Å; L609-F701 HydrophobicContact CB-CZ 4.15Å; L609-F701 HydrophobicContact CD1-CD2 4.01Å; L609-F701 HydrophobicContact CD1-CE2 3.96Å; L609-F701 HydrophobicContact CG-CD2 4.5Å; L609-I704 HydrophobicContact CD2-CD1 4.32Å; L609-I704 HydrophobicContact CD2-CG1 4.38Å |
| 610 | V | 98.2 | Very high | 91.1 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 138.7 | -173 | -176.6 | 0 | 0 | 0 | 0 | 109.9 | F608 V612 V634 H636 V637 N702 V703 I705 | F608-V610 HydrophobicContact CB-CG2 4.43Å; V610-V612 HydrophobicContact CG1-CG1 3.99Å; V610-V634 HydrophobicContact CG1-CG1 3.85Å; V610-H636 WeakPolarHBondContact CA-O 3.22Å; V610-V637 HydrophobicContact CG1-CG2 4.49Å; V610-V637 HydrophobicContact CG2-CG1 4.49Å; V610-V637 HydrophobicContact CG2-CG2 4.43Å; V610-N702 PolarHBondContact O-N 3.35Å; V610-N702 PolarHBondContact O-OD1 3.44Å; V610-V703 HydrophobicContact CB-CB 4.26Å; V610-V703 PolarHBondContact N-O 2.99Å; V610-V703 PolarHBondContact O-N 2.92Å; V610-I705 HydrophobicContact CG2-CD1 3.81Å; V610-I705 HydrophobicContact CG2-CG1 4.23Å |
| 611 | T | 97.4 | Very high | 91.2 | Very high | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.012 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 111.7 | 168.7 | -60.7 | 0 | 0 | 0 | 0 | 108.7 | V635 H636 T700 F701 | T611-V635 HydrophobicContact CG2-CB 4.09Å; T611-V635 HydrophobicContact CG2-CG2 4.45Å; T611-V635 PolarHBondContact O-N 3.47Å; T611-H636 PolarHBondContact N-O 3.38Å; T611-H636 PolarHBondContact O-N 3.11Å; T611-T700 VanDerWaalsContact CG2-O 3.3Å; T611-T700 WeakPolarHBondContact CG2-O 3.48Å; T611-T700 PolarHBondContact OG1-O 2.92Å; T611-T700 PolarHBondContact OG1-OG1 3.23Å; T611-F701 WeakPolarHBondContact OG1-CA 3.38Å; T611-F701 WeakPolarHBondContact OG1-CD1 3.43Å; T611-F701 PolarHBondContact OG1-N 2.98Å |
| 612 | V | 95.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 138.8 | 170.1 | -69.2 | 0 | 0 | 0 | 0 | 110.9 | L532 P537 V547 F549 V610 I632 P633 V634 N702 V703 | L532-V612 HydrophobicContact CD1-CG1 3.62Å; L532-V612 HydrophobicContact CD2-CG1 3.75Å; L532-V612 HydrophobicContact CG-CG1 4.35Å; P537-V612 HydrophobicContact CB-CG2 4.09Å; V547-V612 HydrophobicContact CG1-CG2 4.38Å; F549-V612 HydrophobicContact CE1-CG2 4.1Å; F549-V612 HydrophobicContact CZ-CG2 4.2Å; V610-V612 HydrophobicContact CG1-CG1 3.99Å; V612-I632 HydrophobicContact CG1-CG2 4.29Å; V612-P633 WeakPolarHBondContact CA-O 3.37Å; V612-V634 HydrophobicContact CG1-CG2 4.13Å; V612-N702 WeakPolarHBondContact CG2-OD1 3.42Å; V612-N702 PolarHBondContact N-OD1 3.22Å; V612-N702 PolarHBondContact O-ND2 3.47Å; V612-V703 HydrophobicContact CG2-CG2 4.04Å |
| 613 | R | 93.9 | Very high | 91.6 | Very high | 101 Ų | 101 | 48 Ų | 48 | 38% | 0.381 | 26% | 0.258 | S | S | . | . | trans | -126.4 | 80.9 | 172.6 | -69.1 | -172.6 | -172.5 | 133.8 | 5.6 | 109.4 | P633 V635 E695 | R613-P633 PolarHBondContact N-O 3.4Å; R613-P633 WeakPolarHBondContact O-CB 3.47Å; R613-P633 WeakPolarHBondContact O-CG 3.36Å; R613-V635 HydrophobicContact CB-CG2 3.92Å; R613-V635 HydrophobicContact CG-CG2 3.71Å; R613-E695 IonicContact CZ-OE1 3.46Å; R613-E695 VanDerWaalsContact CZ-OE1 3.28Å; R613-E695 IonicContact CZ-OE2 3.8Å; R613-E695 IonicContact NH1-OE1 2.69Å; R613-E695 PolarHBondContact NH1-OE1 2.88Å; R613-E695 IonicContact NH1-OE2 3.05Å; R613-E695 IonicContact NH2-OE1 3.9Å; R613-E695 PolarHBondContact NH2-OE1 3.15Å; R613-E695 IonicContact NH2-OE2 2.64Å; R613-E695 PolarHBondContact NH2-OE2 2.73Å | ||
| 614 | P | 92.5 | Very high | 91.5 | Very high | 10 Ų | 10 | 47.5 Ų | 47.5 | 7% | 0.065 | 26% | 0.264 | C | S | . | . | trans | -63.5 | 138.7 | 180 | 28 | -35 | 0 | 0 | 0 | 111.3 | P537 W538 K539 V547 | P537-P614 HydrophobicContact CB-CB 4.33Å; P537-P614 HydrophobicContact CB-CG 4.16Å; P537-P614 WeakPolarHBondContact O-CB 3.35Å; W538-P614 VanDerWaalsContact O-CG 3.3Å; W538-P614 WeakPolarHBondContact O-CG 3.45Å; K539-P614 WeakPolarHBondContact CB-O 3.43Å; V547-P614 HydrophobicContact CG1-CG 3.87Å; V547-P614 HydrophobicContact CG2-CG 4.2Å | ||
| 615 | S | 88.5 | Confident | 91.2 | Very high | 89 Ų | 89 | 52 Ų | 52 | 62% | 0.622 | 28% | 0.277 | S | S | * | . | trans | -95 | -18 | 169.7 | 54.4 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 616 | A | 89.5 | Confident | 91 | Very high | 12 Ų | 12 | 56 Ų | 56 | 10% | 0.099 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -74.9 | 138.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | K539 T620 Y622 | K539-A616 PolarHBondContact N-O 3.32Å; A616-T620 HydrophobicContact CB-CG2 4.03Å; A616-Y622 HydrophobicContact CB-CE1 4.24Å |
| 617 | P | 90.7 | Very high | 90.5 | Very high | 88 Ų | 88 | 58.3 Ų | 58.3 | 57% | 0.571 | 31% | 0.314 | S | S | * | . | B | Isolated β-bridge | trans | -68.4 | 159.2 | 176 | 29 | -34.3 | 0 | 0 | 0 | 112 | G619 T620 | P617-G619 PolarHBondContact O-N 3.4Å; P617-T620 WeakPolarHBondContact CD-OG1 3.38Å; P617-T620 WeakPolarHBondContact CG-OG1 3.15Å; P617-T620 WeakPolarHBondContact O-CB 3.48Å; P617-T620 PolarHBondContact O-N 2.9Å; P617-T620 PolarHBondContact O-OG1 3.49Å |
| 618 | V | 91 | Very high | 90.2 | Very high | 59 Ų | 59 | 58.9 Ų | 58.9 | 36% | 0.358 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.8 | 134.3 | 175.4 | 176.8 | 0 | 0 | 0 | 0 | 110.5 | W538 E541 V548 | W538-V618 HydrophobicContact CB-CG2 4.11Å; W538-V618 HydrophobicContact CD2-CB 4.48Å; W538-V618 HydrophobicContact CD2-CG1 4.45Å; W538-V618 HydrophobicContact CE3-CB 4Å; W538-V618 HydrophobicContact CE3-CG1 3.57Å; W538-V618 HydrophobicContact CE3-CG2 4.27Å; W538-V618 HydrophobicContact CZ3-CG1 3.7Å; E541-V618 HydrophobicContact CG-CG2 4.3Å; V548-V618 HydrophobicContact CB-CG2 4.45Å |
| 619 | G | 89.2 | Confident | 89.6 | Confident | 48 Ų | 48 | 64.7 Ų | 64.7 | 50% | 0.495 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.4 | -5.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | W538 P617 K621 | W538-G619 VanDerWaalsContact CE2-N 3.28Å; W538-G619 VanDerWaalsContact CZ2-CA 3.44Å; W538-G619 VanDerWaalsContact CZ2-N 3.31Å; P617-G619 PolarHBondContact O-N 3.4Å; G619-K621 PolarHBondContact O-N 2.65Å |
| 620 | T | 90.5 | Very high | 89 | Confident | 46 Ų | 46 | 70.9 Ų | 70.9 | 28% | 0.282 | 38% | 0.375 | S | S | . | . | trans | -60.8 | 126.9 | 177.4 | -57.3 | 0 | 0 | 0 | 0 | 111.1 | W538 A616 P617 | W538-T620 PolarHBondContact NE1-O 2.93Å; A616-T620 HydrophobicContact CB-CG2 4.03Å; P617-T620 WeakPolarHBondContact CD-OG1 3.38Å; P617-T620 WeakPolarHBondContact CG-OG1 3.15Å; P617-T620 WeakPolarHBondContact O-CB 3.48Å; P617-T620 PolarHBondContact O-N 2.9Å; P617-T620 PolarHBondContact O-OG1 3.49Å | ||
| 621 | K | 89.4 | Confident | 88.7 | Confident | 199 Ų | 199 | 72 Ų | 72 | 87% | 0.865 | 38% | 0.38 | S | S | * | . | trans | -86.7 | 115.1 | 173.5 | -67.7 | -174.4 | 179 | -175 | 0 | 109.6 | G619 | G619-K621 PolarHBondContact O-N 2.65Š| ||
| 622 | Y | 89.7 | Confident | 88.6 | Confident | 34 Ų | 34 | 72 Ų | 72 | 13% | 0.133 | 38% | 0.38 | C | S | . | . | trans | -72.7 | 141.4 | 174.2 | -65 | -61 | 0 | 0 | 0 | 111.8 | F533 K536 P537 W538 A616 Q631 I632 | F533-Y622 HydrophobicContact CD1-CG 4.43Å; K536-Y622 HydrophobicContact CB-CE2 4.45Å; P537-Y622 PolarHBondContact O-OH 3.31Å; W538-Y622 AromaticContact NE1-CE2 3.99Å; A616-Y622 HydrophobicContact CB-CE1 4.24Å; Y622-Q631 HydrophobicContact CD1-CB 3.95Å; Y622-Q631 HydrophobicContact CE1-CB 4.25Å; Y622-I632 HydrophobicContact CD1-CD1 4.39Å; Y622-I632 HydrophobicContact CD1-CG1 4.1Å; Y622-I632 HydrophobicContact CD2-CD1 4.02Å; Y622-I632 HydrophobicContact CD2-CG1 4.46Å; Y622-I632 HydrophobicContact CE1-CD1 4.35Å; Y622-I632 HydrophobicContact CE1-CG1 3.75Å; Y622-I632 HydrophobicContact CE2-CD1 3.99Å; Y622-I632 HydrophobicContact CE2-CG1 4.15Å; Y622-I632 HydrophobicContact CG-CD1 4.23Å; Y622-I632 HydrophobicContact CG-CG1 4.44Å | ||
| 623 | D | 86.1 | Confident | 88.4 | Confident | 61 Ų | 61 | 74 Ų | 74 | 33% | 0.326 | 39% | 0.393 | S | S | . | . | trans | -105.5 | 111 | 177.9 | -176.3 | -0.4 | 0 | 0 | 0 | 110.1 | R625 Q626 Q631 | D623-R625 PolarHBondContact O-N 3.47Å; D623-R625 VanDerWaalsContact O-N 3.07Å; D623-R625 VanDerWaalsContact OD1-CB 3.3Å; D623-R625 WeakPolarHBondContact OD1-CB 3.26Å; D623-R625 PolarHBondContact OD1-N 3.09Å; D623-Q626 HydrophobicContact CB-CB 4.48Å; D623-Q626 HydrophobicContact CB-CG 4.18Å; D623-Q626 PolarHBondContact O-N 3.5Å; D623-Q626 PolarHBondContact OD2-NE2 2.86Å; D623-Q631 PolarHBondContact O-NE2 3.32Å; D623-Q631 PolarHBondContact O-OE1 2.95Å | ||
| 624 | V | 81.2 | Confident | 88.5 | Confident | 106 Ų | 106 | 70.1 Ų | 70.1 | 64% | 0.642 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -16.2 | -180 | -174.2 | 0 | 0 | 0 | 0 | 112.3 | F533 | F533-V624 HydrophobicContact CD2-CG2 4.46Å; F533-V624 HydrophobicContact CE2-CG1 4.32Å; F533-V624 HydrophobicContact CG-CG2 4.45Å |
| 625 | R | 78.5 | Confident | 88.6 | Confident | 194 Ų | 194 | 71.4 Ų | 71.4 | 73% | 0.732 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | -18.4 | 177.9 | -58.7 | 175.4 | 177.6 | 178.1 | -0.1 | 113.1 | D623 | D623-R625 PolarHBondContact O-N 3.47Å; D623-R625 VanDerWaalsContact O-N 3.07Å; D623-R625 VanDerWaalsContact OD1-CB 3.3Å; D623-R625 WeakPolarHBondContact OD1-CB 3.26Å; D623-R625 PolarHBondContact OD1-N 3.09Å |
| 626 | Q | 82.8 | Confident | 89 | Confident | 120 Ų | 120 | 68.2 Ų | 68.2 | 56% | 0.561 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -89.6 | 161.2 | 175.4 | -66.1 | -177.5 | 27.9 | 0 | 0 | 110.6 | D623 F628 Q631 | D623-Q626 HydrophobicContact CB-CB 4.48Å; D623-Q626 HydrophobicContact CB-CG 4.18Å; D623-Q626 PolarHBondContact O-N 3.5Å; D623-Q626 PolarHBondContact OD2-NE2 2.86Å; Q626-F628 PolarHBondContact O-N 3.35Å; Q626-Q631 PolarHBondContact O-NE2 3.36Å |
| 627 | A | 83.1 | Confident | 89.4 | Confident | 54 Ų | 54 | 67.6 Ų | 67.6 | 45% | 0.446 | 36% | 0.359 | S | S | . | . | trans | -59 | 129.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | K629 D630 Q631 | A627-K629 PolarHBondContact O-N 3.45Å; A627-D630 HydrophobicContact CB-CB 4.42Å; A627-D630 WeakPolarHBondContact CB-OD2 3.34Å; A627-D630 PolarHBondContact O-N 3.47Å; A627-Q631 PolarHBondContact O-NE2 2.98Å | ||
| 628 | F | 88.7 | Confident | 89.8 | Confident | 11 Ų | 11 | 63.8 Ų | 63.8 | 5% | 0.048 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -60.3 | -46 | -178.8 | 172.2 | -89.8 | 0 | 0 | 0 | 111.9 | W477 E529 L532 F533 Q626 D630 Q631 I632 V634 | W477-F628 AromaticContact CH2-CD1 3.21Å; W477-F628 HydrophobicContact CH2-CD1 3.21Å; W477-F628 AromaticContact CH2-CE1 3.33Å; W477-F628 HydrophobicContact CH2-CE1 3.33Å; W477-F628 HydrophobicContact CH2-CG 4.26Å; W477-F628 HydrophobicContact CH2-CZ 4.44Å; W477-F628 AromaticContact CZ2-CD1 3.9Å; W477-F628 HydrophobicContact CZ2-CD1 3.9Å; W477-F628 AromaticContact CZ2-CE1 3.61Å; W477-F628 HydrophobicContact CZ2-CE1 3.61Å; W477-F628 AromaticContact CZ3-CD1 3.7Å; W477-F628 HydrophobicContact CZ3-CD1 3.7Å; W477-F628 HydrophobicContact CZ3-CE1 4.27Å; E529-F628 HydrophobicContact CB-CD2 4.02Å; E529-F628 HydrophobicContact CB-CE2 4.26Å; E529-F628 HydrophobicContact CB-CG 4.41Å; E529-F628 HydrophobicContact CG-CB 4.06Å; E529-F628 HydrophobicContact CG-CD1 3.98Å; E529-F628 HydrophobicContact CG-CD2 3.77Å; E529-F628 HydrophobicContact CG-CE1 4.41Å; E529-F628 HydrophobicContact CG-CE2 4.21Å; E529-F628 HydrophobicContact CG-CG 3.65Å; L532-F628 HydrophobicContact CB-CE2 4Å; L532-F628 HydrophobicContact CB-CZ 4Å; L532-F628 HydrophobicContact CD1-CZ 3.73Å; L532-F628 HydrophobicContact CG-CZ 4.49Å; F533-F628 HydrophobicContact CD2-CD2 4.07Å; F533-F628 HydrophobicContact CD2-CE2 4.46Å; F533-F628 HydrophobicContact CE1-CD2 4.21Å; F533-F628 HydrophobicContact CE2-CB 4.44Å; F533-F628 AromaticContact CE2-CD2 3.59Å; F533-F628 HydrophobicContact CE2-CD2 3.59Å; F533-F628 HydrophobicContact CE2-CE2 4.4Å; F533-F628 HydrophobicContact CE2-CG 4.49Å; F533-F628 HydrophobicContact CZ-CB 4.26Å; F533-F628 AromaticContact CZ-CD2 3.67Å; F533-F628 HydrophobicContact CZ-CD2 3.67Å; F533-F628 HydrophobicContact CZ-CG 4.46Å; Q626-F628 PolarHBondContact O-N 3.35Å; F628-D630 PolarHBondContact O-N 3.22Å; F628-D630 VanDerWaalsContact O-N 3.16Å; F628-Q631 PolarHBondContact O-N 3.1Å; F628-I632 HydrophobicContact CE1-CB 4.48Å; F628-I632 HydrophobicContact CE2-CB 4.09Å; F628-I632 HydrophobicContact CE2-CD1 3.97Å; F628-I632 HydrophobicContact CE2-CG1 4.46Å; F628-I632 HydrophobicContact CZ-CB 3.94Å; F628-I632 HydrophobicContact CZ-CG2 4.15Å; F628-I632 PolarHBondContact O-N 2.54Å; F628-V634 HydrophobicContact CE1-CG2 3.81Å; F628-V634 HydrophobicContact CZ-CG2 4.06Å |
| 629 | K | 85.6 | Confident | 90.1 | Very high | 124 Ų | 124 | 61.2 Ų | 61.2 | 54% | 0.539 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -58.3 | -30.3 | -176.5 | -174.7 | 179 | 178.6 | 179 | 0 | 113.2 | W477 A627 | W477-K629 HydrophobicContact CB-CD 4.44Å; A627-K629 PolarHBondContact O-N 3.45Å |
| 630 | D | 86.9 | Confident | 90.4 | Very high | 130 Ų | 130 | 58.9 Ų | 58.9 | 70% | 0.695 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -81.6 | -18.7 | -179 | -61 | -19.1 | 0 | 0 | 0 | 112.4 | A627 F628 | A627-D630 HydrophobicContact CB-CB 4.42Å; A627-D630 WeakPolarHBondContact CB-OD2 3.34Å; A627-D630 PolarHBondContact O-N 3.47Å; F628-D630 PolarHBondContact O-N 3.22Å; F628-D630 VanDerWaalsContact O-N 3.16Å |
| 631 | Q | 92.5 | Very high | 90.6 | Very high | 24 Ų | 24 | 57.5 Ų | 57.5 | 11% | 0.112 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -100.5 | -44.4 | -175.8 | -68.6 | 178.9 | 81.5 | 0 | 0 | 113.1 | Y622 D623 Q626 A627 F628 | Y622-Q631 HydrophobicContact CD1-CB 3.95Å; Y622-Q631 HydrophobicContact CE1-CB 4.25Å; D623-Q631 PolarHBondContact O-NE2 3.32Å; D623-Q631 PolarHBondContact O-OE1 2.95Å; Q626-Q631 PolarHBondContact O-NE2 3.36Å; A627-Q631 PolarHBondContact O-NE2 2.98Å; F628-Q631 PolarHBondContact O-N 3.1Å |
| 632 | I | 93.5 | Very high | 90.8 | Very high | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -124.3 | 97.8 | -176.2 | -57.7 | 177.1 | 0 | 0 | 0 | 108.7 | L532 F533 P537 V612 Y622 F628 V634 | L532-I632 HydrophobicContact CB-CD1 4.2Å; L532-I632 HydrophobicContact CB-CG2 4.36Å; L532-I632 HydrophobicContact CD1-CG2 4.25Å; F533-I632 HydrophobicContact CD1-CD1 4.15Å; P537-I632 HydrophobicContact CG-CD1 4.23Å; P537-I632 HydrophobicContact CG-CG1 4.44Å; P537-I632 HydrophobicContact CG-CG2 3.73Å; V612-I632 HydrophobicContact CG1-CG2 4.29Å; Y622-I632 HydrophobicContact CD1-CD1 4.39Å; Y622-I632 HydrophobicContact CD1-CG1 4.1Å; Y622-I632 HydrophobicContact CD2-CD1 4.02Å; Y622-I632 HydrophobicContact CD2-CG1 4.46Å; Y622-I632 HydrophobicContact CE1-CD1 4.35Å; Y622-I632 HydrophobicContact CE1-CG1 3.75Å; Y622-I632 HydrophobicContact CE2-CD1 3.99Å; Y622-I632 HydrophobicContact CE2-CG1 4.15Å; Y622-I632 HydrophobicContact CG-CD1 4.23Å; Y622-I632 HydrophobicContact CG-CG1 4.44Å; F628-I632 HydrophobicContact CE1-CB 4.48Å; F628-I632 HydrophobicContact CE2-CB 4.09Å; F628-I632 HydrophobicContact CE2-CD1 3.97Å; F628-I632 HydrophobicContact CE2-CG1 4.46Å; F628-I632 HydrophobicContact CZ-CB 3.94Å; F628-I632 HydrophobicContact CZ-CG2 4.15Å; F628-I632 PolarHBondContact O-N 2.54Å; I632-V634 PolarHBondContact O-N 2.91Å; I632-V634 VanDerWaalsContact O-N 3.08Å |
| 633 | P | 93.2 | Very high | 91 | Very high | 43 Ų | 43 | 47.7 Ų | 47.7 | 28% | 0.279 | 24% | 0.243 | S | C | . | . | trans | -68 | 107.5 | 178 | -20 | 33.1 | 0 | 0 | 0 | 111.4 | V612 R613 | V612-P633 WeakPolarHBondContact CA-O 3.37Å; R613-P633 PolarHBondContact N-O 3.4Å; R613-P633 WeakPolarHBondContact O-CB 3.47Å; R613-P633 WeakPolarHBondContact O-CG 3.36Å | ||
| 634 | V | 95.6 | Very high | 91.3 | Very high | 20 Ų | 20 | 45.1 Ų | 45.1 | 12% | 0.121 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 114.1 | 168.8 | 178.3 | 0 | 0 | 0 | 0 | 108.1 | W477 I528 L532 V610 V612 F628 I632 V637 | W477-V634 HydrophobicContact CZ2-CB 4.38Å; W477-V634 HydrophobicContact CZ2-CG2 4.22Å; I528-V634 HydrophobicContact CG2-CG2 4.45Å; L532-V634 HydrophobicContact CD1-CG2 3.53Å; V610-V634 HydrophobicContact CG1-CG1 3.85Å; V612-V634 HydrophobicContact CG1-CG2 4.13Å; F628-V634 HydrophobicContact CE1-CG2 3.81Å; F628-V634 HydrophobicContact CZ-CG2 4.06Å; I632-V634 PolarHBondContact O-N 2.91Å; I632-V634 VanDerWaalsContact O-N 3.08Å; V634-V637 HydrophobicContact CG1-CG2 3.51Å |
| 635 | V | 94.8 | Very high | 91.8 | Very high | 37 Ų | 37 | 40.5 Ų | 40.5 | 22% | 0.224 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | -47.9 | -176.8 | -173 | 0 | 0 | 0 | 0 | 110.8 | E473 T611 R613 | E473-V635 VanDerWaalsContact CG-O 3.24Å; E473-V635 WeakPolarHBondContact CG-O 3.41Å; T611-V635 HydrophobicContact CG2-CB 4.09Å; T611-V635 HydrophobicContact CG2-CG2 4.45Å; T611-V635 PolarHBondContact O-N 3.47Å; R613-V635 HydrophobicContact CB-CG2 3.92Å; R613-V635 HydrophobicContact CG-CG2 3.71Å |
| 636 | H | 96.9 | Very high | 92.5 | Very high | 21 Ų | 21 | 31.9 Ų | 31.9 | 10% | 0.097 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 142.5 | -177.9 | -60.7 | -55.4 | 0 | 0 | 0 | 111.9 | E473 V610 T611 E695 V697 F701 | E473-H636 IonicContact OE1-CE1 3.84Å; E473-H636 IonicContact OE1-CG 2.74Å; E473-H636 IonicContact OE1-ND1 2.84Å; E473-H636 PolarHBondContact OE1-ND1 2.8Å; E473-H636 WeakPolarHBondContact OE2-CA 3.28Å; V610-H636 WeakPolarHBondContact CA-O 3.22Å; T611-H636 PolarHBondContact N-O 3.38Å; T611-H636 PolarHBondContact O-N 3.11Å; H636-E695 IonicContact NE2-OE1 3.42Å; H636-E695 PolarHBondContact NE2-OE1 3.48Å; H636-V697 HydrophobicContact CB-CG1 4.04Å; H636-F701 HydrophobicContact CB-CE1 4.31Å |
| 637 | V | 98.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 122.3 | 170.1 | -177.9 | 0 | 0 | 0 | 0 | 108.6 | E473 I476 I528 F608 L609 V610 V634 | E473-V637 PolarHBondContact OE2-N 3.45Å; I476-V637 HydrophobicContact CD1-CB 3.99Å; I476-V637 HydrophobicContact CD1-CG1 3.78Å; I476-V637 HydrophobicContact CD1-CG2 4.03Å; I528-V637 HydrophobicContact CD1-CG1 3.97Å; I528-V637 HydrophobicContact CD1-CG2 4.18Å; F608-V637 HydrophobicContact CD1-CG1 3.95Å; L609-V637 CarbonylContact O-C 3.56Å; L609-V637 WeakPolarHBondContact O-CA 3.19Å; V610-V637 HydrophobicContact CG1-CG2 4.49Å; V610-V637 HydrophobicContact CG2-CG1 4.49Å; V610-V637 HydrophobicContact CG2-CG2 4.43Å; V634-V637 HydrophobicContact CG1-CG2 3.51Å |
| 638 | R | 98 | Very high | 92.8 | Very high | 8 Ų | 8 | 28.6 Ų | 28.6 | 3% | 0.03 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 130.8 | 173.5 | -63.9 | -62 | 177.6 | -86.1 | 1 | 110.2 | E473 F608 L609 D685 V697 F701 | E473-R638 VanDerWaalsContact CD-NH1 3.29Å; E473-R638 IonicContact OE1-CZ 3.28Å; E473-R638 IonicContact OE1-NH1 3.08Å; E473-R638 PolarHBondContact OE1-NH1 2.97Å; E473-R638 VanDerWaalsContact OE1-NH1 3.07Å; E473-R638 IonicContact OE1-NH2 2.89Å; E473-R638 PolarHBondContact OE1-NH2 3.38Å; E473-R638 IonicContact OE2-CZ 2.75Å; E473-R638 IonicContact OE2-NH1 3.42Å; E473-R638 PolarHBondContact OE2-NH1 3.18Å; F608-R638 CarbonylContact C-O 3.6Å; F608-R638 WeakPolarHBondContact CA-O 3.34Å; L609-R638 PolarHBondContact N-O 3.1Å; L609-R638 PolarHBondContact O-N 3.28Å; R638-D685 IonicContact CZ-OD1 2.91Å; R638-D685 IonicContact CZ-OD2 2.81Å; R638-D685 IonicContact NE-OD1 3.85Å; R638-D685 IonicContact NE-OD2 3.27Å; R638-D685 PolarHBondContact NE-OD2 3.14Å; R638-D685 IonicContact NH2-OD1 3.6Å; R638-D685 PolarHBondContact NH2-OD1 2.87Å; R638-D685 IonicContact NH2-OD2 2.66Å; R638-D685 PolarHBondContact NH2-OD2 3.43Å; R638-V697 HydrophobicContact CG-CG1 4.39Å; R638-F701 HydrophobicContact CB-CE1 4.13Å; R638-F701 HydrophobicContact CB-CZ 3.75Å; R638-F701 HydrophobicContact CG-CE1 3.93Å; R638-F701 HydrophobicContact CG-CZ 3.49Å; R638-F701 VanDerWaalsContact CG-CZ 3.49Å |
| 639 | G | 97 | Very high | 92.6 | Very high | 4 Ų | 4 | 33 Ų | 33 | 4% | 0.041 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 147.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y470 C607 | Y470-G639 VanDerWaalsContact CG-CA 3.49Å; C607-G639 CarbonylContact O-C 3.55Å; C607-G639 WeakPolarHBondContact O-CA 3.44Å |
| 640 | C | 96.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 164.1 | 173.8 | 68.6 | 0 | 0 | 0 | 0 | 110.7 | V606 C607 L609 V675 W676 L677 | V606-C640 CarbonylContact C-O 3.59Å; V606-C640 WeakPolarHBondContact CA-O 3.43Å; C607-C640 PolarHBondContact N-O 3.01Å; C607-C640 PolarHBondContact O-N 3.12Å; L609-C640 HydrophobicContact CD1-CB 4.28Å; C640-V675 HydrophobicContact CB-CB 3.99Å; C640-V675 HydrophobicContact CB-CG2 3.89Å; C640-W676 CarbonylContact C-O 3.57Å; C640-W676 WeakPolarHBondContact CA-O 3.45Å; C640-W676 WeakPolarHBondContact CB-O 3.09Å; C640-L677 HydrophobicContact CB-CD2 3.92Å |
| 641 | E | 94 | Very high | 92.5 | Very high | 16 Ų | 16 | 29.9 Ų | 29.9 | 8% | 0.075 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 130.4 | -179.2 | -171.9 | 170.5 | 171.6 | 0 | 0 | 109.6 | H604 D605 E643 V675 W676 K715 | H604-E641 VanDerWaalsContact CA-CG 3.49Å; H604-E641 VanDerWaalsContact CA-OE1 3.26Å; H604-E641 WeakPolarHBondContact CA-OE1 3.08Å; H604-E641 HydrophobicContact CB-CG 4.41Å; H604-E641 VanDerWaalsContact CB-OE1 3.25Å; H604-E641 WeakPolarHBondContact CB-OE1 3.34Å; H604-E641 IonicContact CE1-OE1 4Å; H604-E641 IonicContact CG-OE1 3.09Å; H604-E641 VanDerWaalsContact CG-OE1 3.29Å; H604-E641 IonicContact ND1-OE1 3.84Å; H604-E641 PolarHBondContact ND1-OE1 3.27Å; D605-E641 CarbonylContact O-C 3.55Å; D605-E641 WeakPolarHBondContact O-CA 3.21Å; E641-E643 PolarHBondContact O-N 3.21Å; E641-V675 CarbonylContact O-C 3.51Å; E641-V675 WeakPolarHBondContact O-CA 3.4Å; E641-V675 WeakPolarHBondContact O-CB 3.44Å; E641-W676 HydrophobicContact CB-CB 4.42Å; E641-W676 HydrophobicContact CB-CE3 4.37Å; E641-W676 HydrophobicContact CG-CE3 4.19Å; E641-W676 PolarHBondContact N-O 3.27Å; E641-W676 PolarHBondContact O-N 2.81Å; E641-K715 WeakPolarHBondContact OE2-CE 3.21Å; E641-K715 IonicContact OE2-NZ 2.68Å; E641-K715 PolarHBondContact OE2-NZ 3.27Å |
| 642 | I | 93.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 125.5 | -179.9 | -59.2 | -56.7 | 0 | 0 | 0 | 109.4 | L601 R602 K603 H604 D605 F673 V675 | L601-I642 HydrophobicContact CB-CG1 4.43Å; L601-I642 HydrophobicContact CD1-CD1 4.42Å; R602-I642 WeakPolarHBondContact O-CB 3.38Å; R602-I642 WeakPolarHBondContact O-CG2 3.23Å; K603-I642 CarbonylContact C-O 3.51Å; K603-I642 VanDerWaalsContact CA-O 3.28Å; K603-I642 WeakPolarHBondContact CA-O 3.46Å; H604-I642 PolarHBondContact N-O 3.25Å; D605-I642 HydrophobicContact CB-CB 4.3Å; D605-I642 HydrophobicContact CB-CG1 3.93Å; D605-I642 WeakPolarHBondContact O-CG1 3.4Å; D605-I642 PolarHBondContact O-N 2.95Å; I642-F673 HydrophobicContact CD1-CB 4.46Å; I642-V675 HydrophobicContact CD1-CG1 3.74Å |
| 643 | E | 93.4 | Very high | 91.5 | Very high | 27 Ų | 27 | 33 Ų | 33 | 13% | 0.126 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | -40.6 | 166.7 | -178.3 | 166.5 | -155.1 | 0 | 0 | 110.1 | R581 E641 L652 R674 W676 | R581-E643 WeakPolarHBondContact CD-OE2 3.38Å; R581-E643 IonicContact CZ-OE1 3.97Å; R581-E643 IonicContact NE-OE1 2.93Å; R581-E643 PolarHBondContact NE-OE1 2.98Å; R581-E643 IonicContact NE-OE2 3.28Å; R581-E643 PolarHBondContact NE-OE2 3.14Å; R581-E643 IonicContact NH2-OE1 3.94Å; R581-E643 PolarHBondContact NH2-OE1 3.23Å; E641-E643 PolarHBondContact O-N 3.21Å; E643-L652 HydrophobicContact CG-CD1 3.8Å; E643-L652 HydrophobicContact CG-CD2 4.18Å; E643-R674 HydrophobicContact CB-CB 4.29Å; E643-R674 HydrophobicContact CB-CG 4.1Å; E643-R674 WeakPolarHBondContact CB-O 3.4Å; E643-R674 PolarHBondContact N-O 3.32Å; E643-R674 WeakPolarHBondContact OE2-CD 3.32Å; E643-R674 VanDerWaalsContact OE2-CG 3.25Å; E643-R674 WeakPolarHBondContact OE2-CG 3.45Å; E643-W676 HydrophobicContact CB-CD2 4.39Å; E643-W676 HydrophobicContact CB-CZ2 3.99Å; E643-W676 HydrophobicContact CG-CZ2 3.61Å; E643-W676 PolarHBondContact OE1-NE1 2.89Å; E643-W676 PolarHBondContact OE2-NE1 2.85Å |
| 644 | G | 92.2 | Very high | 90.1 | Very high | 8 Ų | 8 | 40 Ų | 40 | 8% | 0.082 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 162.9 | 177.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | R674 | G644-R674 PolarHBondContact N-O 3.04Å; G644-R674 PolarHBondContact O-N 2.76Å |
| 645 | M | 93.4 | Very high | 88.4 | Confident | 9 Ų | 9 | 45.6 Ų | 45.6 | 4% | 0.044 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 137.5 | 175.3 | -171.3 | 171.3 | 64.3 | 0 | 0 | 110.1 | L599 I653 Y656 F666 R671 F673 | L599-M645 HydrophobicContact CD2-CE 4.45Å; L599-M645 HydrophobicContact CD2-SD 4.04Å; M645-I653 HydrophobicContact CE-CD1 3.9Å; M645-I653 WeakPolarHBondContact O-CB 3.48Å; M645-I653 PolarHBondContact O-N 3.24Å; M645-Y656 HydrophobicContact CE-CD2 3.27Å; M645-Y656 HydrophobicContact CE-CE2 3.74Å; M645-Y656 HydrophobicContact CE-CG 3.78Å; M645-F666 HydrophobicContact CE-CE2 4.03Å; M645-F666 HydrophobicContact CE-CZ 3.8Å; M645-F666 HydrophobicContact SD-CZ 4.46Å; M645-R671 HydrophobicContact SD-CB 4.14Å; M645-R671 VanDerWaalsContact SD-CD 3.58Å; M645-R671 HydrophobicContact SD-CG 3.98Å; M645-F673 HydrophobicContact CB-CD1 4Å; M645-F673 HydrophobicContact CB-CE1 3.88Å; M645-F673 HydrophobicContact CG-CD1 4.29Å; M645-F673 HydrophobicContact CG-CE1 4.04Å; M645-F673 HydrophobicContact CG-CZ 4.34Å; M645-F673 HydrophobicContact SD-CE1 4.17Å; M645-F673 HydrophobicContact SD-CZ 4.05Å |
| 646 | L | 92.2 | Very high | 86.6 | Confident | 12 Ų | 12 | 47 Ų | 47 | 6% | 0.063 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 133.1 | 175.9 | -58.7 | -179.9 | 0 | 0 | 0 | 110.7 | D583 K651 L652 T672 R674 | D583-L646 WeakPolarHBondContact OD2-CD1 3.43Å; L646-K651 CarbonylContact C-O 3.6Å; L646-K651 WeakPolarHBondContact CA-O 3.39Å; L646-L652 HydrophobicContact CD2-CD2 3.82Å; L646-L652 HydrophobicContact CD2-CG 4.06Å; L646-T672 HydrophobicContact CD1-CG2 3.81Å; L646-T672 HydrophobicContact CG-CG2 4.47Å; L646-T672 PolarHBondContact N-O 3.48Å; L646-R674 HydrophobicContact CD2-CB 4.21Å; L646-R674 HydrophobicContact CG-CB 4.38Å |
| 647 | G | 88.8 | Confident | 84.5 | Confident | 8 Ų | 8 | 49.6 Ų | 49.6 | 8% | 0.082 | 28% | 0.278 | C | S | . | . | P | Polyproline II helix | trans | -74.2 | 172.3 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | D649 G650 K651 | G647-D649 PolarHBondContact O-N 3.42Å; G647-D649 VanDerWaalsContact O-N 3.13Å; G647-G650 PolarHBondContact O-N 3.03Å; G647-K651 PolarHBondContact N-O 3.01Å |
| 648 | P | 84 | Confident | 81.9 | Confident | 98 Ų | 98 | 52.5 Ų | 52.5 | 64% | 0.636 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -23.3 | 176 | -22.8 | 33.3 | 0 | 0 | 0 | 113.9 | G650 V664 F666 | P648-G650 VanDerWaalsContact C-N 3.31Å; P648-V664 HydrophobicContact CG-CG1 4.38Å; P648-F666 HydrophobicContact CG-CD1 4.25Å; P648-F666 HydrophobicContact CG-CE1 4.35Å |
| 649 | D | 84.2 | Confident | 79.1 | Confident | 104 Ų | 104 | 54.6 Ų | 54.6 | 56% | 0.556 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | 0.7 | 176.7 | 69.9 | -24.4 | 0 | 0 | 0 | 113.6 | G647 K651 | G647-D649 PolarHBondContact O-N 3.42Å; G647-D649 VanDerWaalsContact O-N 3.13Å; D649-K651 VanDerWaalsContact C-N 3.28Å; D649-K651 PolarHBondContact O-N 3.17Å; D649-K651 PolarHBondContact OD1-N 3.46Å; D649-K651 VanDerWaalsContact OD1-N 3.12Å; D649-K651 WeakPolarHBondContact OD2-CD 3.32Å; D649-K651 VanDerWaalsContact OD2-CG 3.29Å; D649-K651 WeakPolarHBondContact OD2-CG 3.4Å; D649-K651 IonicContact OD2-NZ 2.8Å |
| 650 | G | 84.1 | Confident | 76.6 | Confident | 42 Ų | 42 | 60 Ų | 60 | 43% | 0.433 | 37% | 0.37 | S | S | . | . | S | Bend | trans | 77.4 | 5.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | G647 P648 | G647-G650 PolarHBondContact O-N 3.03Å; P648-G650 VanDerWaalsContact C-N 3.31Å |
| 651 | K | 86.2 | Confident | 74.1 | Confident | 145 Ų | 145 | 67.3 Ų | 67.3 | 63% | 0.63 | 41% | 0.409 | S | S | * | . | trans | -89.1 | 154.1 | 175.3 | -63.4 | -174.3 | -167.2 | 162.8 | 0 | 111.5 | L646 G647 D649 | L646-K651 CarbonylContact C-O 3.6Å; L646-K651 WeakPolarHBondContact CA-O 3.39Å; G647-K651 PolarHBondContact N-O 3.01Å; D649-K651 VanDerWaalsContact C-N 3.28Å; D649-K651 PolarHBondContact O-N 3.17Å; D649-K651 PolarHBondContact OD1-N 3.46Å; D649-K651 VanDerWaalsContact OD1-N 3.12Å; D649-K651 WeakPolarHBondContact OD2-CD 3.32Å; D649-K651 VanDerWaalsContact OD2-CG 3.29Å; D649-K651 WeakPolarHBondContact OD2-CG 3.4Å; D649-K651 IonicContact OD2-NZ 2.8Å | ||
| 652 | L | 84.7 | Confident | 71.9 | Confident | 66 Ų | 66 | 70.6 Ų | 70.6 | 35% | 0.346 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 131.9 | 174.7 | -74.6 | 163.1 | 0 | 0 | 0 | 110.6 | E643 L646 R674 | E643-L652 HydrophobicContact CG-CD1 3.8Å; E643-L652 HydrophobicContact CG-CD2 4.18Å; L646-L652 HydrophobicContact CD2-CD2 3.82Å; L646-L652 HydrophobicContact CD2-CG 4.06Å; L652-R674 HydrophobicContact CD2-CB 4.04Å |
| 653 | I | 81 | Confident | 70.1 | Confident | 26 Ų | 26 | 76 Ų | 76 | 13% | 0.133 | 47% | 0.471 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 113.5 | 168.7 | -60 | 166.6 | 0 | 0 | 0 | 106.8 | M645 V664 F666 | M645-I653 HydrophobicContact CE-CD1 3.9Å; M645-I653 WeakPolarHBondContact O-CB 3.48Å; M645-I653 PolarHBondContact O-N 3.24Å; I653-V664 HydrophobicContact CD1-CB 4.29Å; I653-V664 HydrophobicContact CD1-CG1 4.06Å; I653-V664 HydrophobicContact CD1-CG2 4.4Å; I653-V664 HydrophobicContact CG1-CG2 4.49Å; I653-F666 HydrophobicContact CD1-CE2 4.06Å; I653-F666 HydrophobicContact CD1-CZ 3.54Å |
| 654 | E | 63.2 | Low | 68.8 | Low | 188 Ų | 188 | 77.5 Ų | 77.5 | 88% | 0.879 | 48% | 0.482 | S | S | * | . | S | Bend | trans | -72.9 | -39.6 | -178.5 | -67.5 | -171.9 | 155.6 | 0 | 0 | 112.5 | ||
| 655 | E | 60.1 | Low | 67.8 | Low | 139 Ų | 139 | 82.1 Ų | 82.1 | 65% | 0.65 | 51% | 0.513 | S | S | * | . | trans | -135 | 109.5 | 179.4 | -70.2 | -173.6 | 172.7 | 0 | 0 | 111.8 | ||||
| 656 | Y | 57.2 | Low | 67.2 | Low | 66 Ų | 66 | 83.8 Ų | 83.8 | 26% | 0.259 | 52% | 0.52 | S | S | . | . | S | Bend | trans | -89 | 112.1 | 169.8 | -169.8 | -94 | 0 | 0 | 0 | 109.5 | L599 M645 F666 | L599-Y656 HydrophobicContact CB-CD1 3.79Å; L599-Y656 HydrophobicContact CB-CE1 3.69Å; L599-Y656 HydrophobicContact CD1-CE1 3.65Å; L599-Y656 HydrophobicContact CD2-CE1 4.08Å; L599-Y656 HydrophobicContact CG-CE1 4.01Å; M645-Y656 HydrophobicContact CE-CD2 3.27Å; M645-Y656 HydrophobicContact CE-CE2 3.74Å; M645-Y656 HydrophobicContact CE-CG 3.78Å; Y656-F666 HydrophobicContact CD2-CE2 4.42Å; Y656-F666 HydrophobicContact CE2-CD2 4.33Å; Y656-F666 AromaticContact CE2-CE2 3.82Å; Y656-F666 HydrophobicContact CE2-CE2 3.82Å |
| 657 | G | 53 | Low | 66.6 | Low | 75 Ų | 75 | 89.1 Ų | 89.1 | 77% | 0.773 | 56% | 0.559 | S | S | * | * | S | Bend | trans | 90 | 12.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||
| 658 | G | 41.9 | Very low | 66.5 | Low | 61 Ų | 61 | 92.1 Ų | 92.1 | 63% | 0.629 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -97.6 | -5.5 | -175.2 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||
| 659 | G | 41.1 | Very low | 66.8 | Low | 52 Ų | 52 | 90.4 Ų | 90.4 | 54% | 0.536 | 56% | 0.561 | S | S | . | * | S | Bend | trans | -152.4 | 150.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | D661 | G659-D661 PolarHBondContact O-N 3.47Å; G659-D661 VanDerWaalsContact O-N 3.11Å |
| 660 | S | 42.7 | Very low | 67.2 | Low | 119 Ų | 119 | 88.5 Ų | 88.5 | 83% | 0.832 | 55% | 0.55 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -19.6 | -178.5 | 48.9 | 0 | 0 | 0 | 0 | 114.4 | ||
| 661 | D | 44.3 | Very low | 67.6 | Low | 153 Ų | 153 | 86.9 Ų | 86.9 | 82% | 0.818 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.2 | 14.9 | -170.2 | -75.7 | -24.2 | 0 | 0 | 0 | 115.5 | G659 | G659-D661 PolarHBondContact O-N 3.47Å; G659-D661 VanDerWaalsContact O-N 3.11Å |
| 662 | S | 48.6 | Very low | 68.1 | Low | 84 Ų | 84 | 81.3 Ų | 81.3 | 59% | 0.587 | 51% | 0.509 | S | S | * | . | trans | -127.5 | 52.3 | 177 | -63.9 | 0 | 0 | 0 | 0 | 113.2 | V664 | S662-V664 VanDerWaalsContact C-N 3.3Å; S662-V664 PolarHBondContact O-N 2.93Å | ||
| 663 | S | 54.9 | Low | 68.6 | Low | 114 Ų | 114 | 78.3 Ų | 78.3 | 80% | 0.797 | 49% | 0.493 | S | S | * | . | trans | -78.4 | 77.8 | 170.6 | 72.8 | 0 | 0 | 0 | 0 | 110.7 | S665 | S663-S665 PolarHBondContact O-N 3.36Å; S663-S665 VanDerWaalsContact O-N 3.08Å | ||
| 664 | V | 67.1 | Low | 69.4 | Low | 59 Ų | 59 | 79.5 Ų | 79.5 | 36% | 0.358 | 50% | 0.496 | S | S | . | . | trans | -65.2 | 109.9 | 166.9 | -178.4 | 0 | 0 | 0 | 0 | 107.8 | P648 I653 S662 F666 | P648-V664 HydrophobicContact CG-CG1 4.38Å; I653-V664 HydrophobicContact CD1-CB 4.29Å; I653-V664 HydrophobicContact CD1-CG1 4.06Å; I653-V664 HydrophobicContact CD1-CG2 4.4Å; I653-V664 HydrophobicContact CG1-CG2 4.49Å; S662-V664 VanDerWaalsContact C-N 3.3Å; S662-V664 PolarHBondContact O-N 2.93Å; V664-F666 HydrophobicContact CB-CE2 4.33Å; V664-F666 HydrophobicContact CG1-CE2 3.95Å; V664-F666 HydrophobicContact CG1-CZ 4.25Å; V664-F666 WeakPolarHBondContact O-CD2 3.41Å | ||
| 665 | S | 71.3 | Confident | 71 | Confident | 104 Ų | 104 | 70.5 Ų | 70.5 | 73% | 0.727 | 45% | 0.454 | S | S | * | . | trans | -83.6 | 137.8 | 179.2 | 68.5 | 0 | 0 | 0 | 0 | 110.7 | S663 | S663-S665 PolarHBondContact O-N 3.36Å; S663-S665 VanDerWaalsContact O-N 3.08Å | ||
| 666 | F | 80.9 | Confident | 72.8 | Confident | 44 Ų | 44 | 66.3 Ų | 66.3 | 19% | 0.193 | 43% | 0.432 | C | S | . | . | trans | -115.6 | 132.8 | 178.5 | -71.7 | -95.7 | 0 | 0 | 0 | 109.2 | M645 P648 I653 Y656 V664 R671 | M645-F666 HydrophobicContact CE-CE2 4.03Å; M645-F666 HydrophobicContact CE-CZ 3.8Å; M645-F666 HydrophobicContact SD-CZ 4.46Å; P648-F666 HydrophobicContact CG-CD1 4.25Å; P648-F666 HydrophobicContact CG-CE1 4.35Å; I653-F666 HydrophobicContact CD1-CE2 4.06Å; I653-F666 HydrophobicContact CD1-CZ 3.54Å; Y656-F666 HydrophobicContact CD2-CE2 4.42Å; Y656-F666 HydrophobicContact CE2-CD2 4.33Å; Y656-F666 AromaticContact CE2-CE2 3.82Å; Y656-F666 HydrophobicContact CE2-CE2 3.82Å; V664-F666 HydrophobicContact CB-CE2 4.33Å; V664-F666 HydrophobicContact CG1-CE2 3.95Å; V664-F666 HydrophobicContact CG1-CZ 4.25Å; V664-F666 WeakPolarHBondContact O-CD2 3.41Å; F666-R671 VanDerWaalsContact CB-CZ 3.48Å; F666-R671 VanDerWaalsContact CB-NH2 3.26Å | ||
| 667 | S | 79.6 | Confident | 74.8 | Confident | 125 Ų | 125 | 63.6 Ų | 63.6 | 87% | 0.874 | 42% | 0.422 | S | S | * | . | S | Bend | trans | -78 | -21.2 | 178.8 | 54.6 | 0 | 0 | 0 | 0 | 113.8 | ||
| 668 | T | 86.2 | Confident | 76.8 | Confident | 71 Ų | 71 | 61.1 Ų | 61.1 | 44% | 0.436 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -123.8 | 168.2 | -175.8 | 58.4 | 0 | 0 | 0 | 0 | 111.8 | I670 R671 | T668-I670 VanDerWaalsContact C-N 3.29Å; T668-R671 PolarHBondContact O-NH1 2.73Å |
| 669 | N | 89.7 | Confident | 79.4 | Confident | 62 Ų | 62 | 59.2 Ų | 59.2 | 33% | 0.332 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -85 | 0.5 | 168.1 | -72.3 | -24.9 | 0 | 0 | 0 | 113.6 | L588 N589 R595 | L588-N669 PolarHBondContact N-O 3.02Å; N589-N669 WeakPolarHBondContact OD1-CB 3.18Å; N589-N669 PolarHBondContact OD1-ND2 3.25Å; R595-N669 PolarHBondContact NH1-OD1 2.92Å; R595-N669 VanDerWaalsContact NH1-OD1 3.09Å; R595-N669 PolarHBondContact NH2-OD1 2.55Å |
| 670 | I | 92.8 | Very high | 82 | Confident | 64 Ų | 64 | 57.3 Ų | 57.3 | 33% | 0.328 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 134.5 | 174.6 | -57.2 | 172.5 | 0 | 0 | 0 | 109.2 | Q585 L586 T668 | Q585-I670 HydrophobicContact CG-CG2 4.19Å; L586-I670 CarbonylContact O-C 3.48Å; L586-I670 VanDerWaalsContact O-CA 3.31Å; L586-I670 WeakPolarHBondContact O-CA 3.32Å; T668-I670 VanDerWaalsContact C-N 3.29Å |
| 671 | R | 93.7 | Very high | 84.6 | Confident | 8 Ų | 8 | 52.4 Ų | 52.4 | 3% | 0.03 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 138.8 | 173 | -65.8 | -60.6 | -179.4 | -85.9 | 0.2 | 109.6 | Q585 L586 L588 L599 M645 F666 T668 F673 | Q585-R671 CarbonylContact C-O 3.6Å; Q585-R671 WeakPolarHBondContact CA-O 3.47Å; L586-R671 PolarHBondContact N-O 2.87Å; L586-R671 PolarHBondContact O-N 3.39Å; L588-R671 HydrophobicContact CD1-CB 4.21Å; L588-R671 HydrophobicContact CD1-CG 3.58Å; L588-R671 HydrophobicContact CG-CG 4.16Å; L599-R671 HydrophobicContact CD2-CG 4.03Å; M645-R671 HydrophobicContact SD-CB 4.14Å; M645-R671 VanDerWaalsContact SD-CD 3.58Å; M645-R671 HydrophobicContact SD-CG 3.98Å; F666-R671 VanDerWaalsContact CB-CZ 3.48Å; F666-R671 VanDerWaalsContact CB-NH2 3.26Å; T668-R671 PolarHBondContact O-NH1 2.73Å; R671-F673 HydrophobicContact CB-CE2 3.92Å; R671-F673 HydrophobicContact CB-CZ 4.5Å |
| 672 | T | 95.5 | Very high | 87.1 | Confident | 28 Ų | 28 | 47 Ų | 47 | 17% | 0.172 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 125.5 | 175 | -46.8 | 0 | 0 | 0 | 0 | 108.4 | D583 V584 Q585 L646 | D583-T672 HydrophobicContact CB-CG2 3.88Å; V584-T672 CarbonylContact O-C 3.56Å; V584-T672 WeakPolarHBondContact O-CA 3.41Å; Q585-T672 HydrophobicContact CG-CG2 3.91Å; Q585-T672 WeakPolarHBondContact CG-OG1 3.42Å; Q585-T672 PolarHBondContact NE2-OG1 2.91Å; L646-T672 HydrophobicContact CD1-CG2 3.81Å; L646-T672 HydrophobicContact CG-CG2 4.47Å; L646-T672 PolarHBondContact N-O 3.48Å |
| 673 | F | 96.8 | Very high | 89.3 | Confident | 2 Ų | 2 | 44.6 Ų | 44.6 | 1% | 0.009 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 132.2 | 173 | -67.8 | -89.1 | 0 | 0 | 0 | 109.2 | D583 V584 L586 L601 I642 M645 R671 | D583-F673 CarbonylContact C-O 3.59Å; D583-F673 WeakPolarHBondContact CA-O 3.15Å; V584-F673 PolarHBondContact N-O 2.79Å; V584-F673 PolarHBondContact O-N 3.3Å; L586-F673 HydrophobicContact CD1-CD2 4.02Å; L586-F673 HydrophobicContact CD1-CE2 4.07Å; L601-F673 HydrophobicContact CB-CE1 4.19Å; L601-F673 HydrophobicContact CD1-CE1 4.28Å; L601-F673 HydrophobicContact CD1-CZ 4.37Å; I642-F673 HydrophobicContact CD1-CB 4.46Å; M645-F673 HydrophobicContact CB-CD1 4Å; M645-F673 HydrophobicContact CB-CE1 3.88Å; M645-F673 HydrophobicContact CG-CD1 4.29Å; M645-F673 HydrophobicContact CG-CE1 4.04Å; M645-F673 HydrophobicContact CG-CZ 4.34Å; M645-F673 HydrophobicContact SD-CE1 4.17Å; M645-F673 HydrophobicContact SD-CZ 4.05Å; R671-F673 HydrophobicContact CB-CE2 3.92Å; R671-F673 HydrophobicContact CB-CZ 4.5Å |
| 674 | R | 97.3 | Very high | 91.2 | Very high | 51 Ų | 51 | 40.9 Ų | 40.9 | 19% | 0.192 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 133.5 | 168.5 | -176.4 | 160.2 | -72.2 | 170.1 | 4.8 | 109.2 | A582 D583 E643 G644 L646 L652 | A582-R674 CarbonylContact O-C 3.6Å; A582-R674 WeakPolarHBondContact O-CA 3.47Å; D583-R674 WeakPolarHBondContact OD1-CB 3.34Å; D583-R674 WeakPolarHBondContact OD1-CG 3.45Å; D583-R674 IonicContact OD1-CZ 3.7Å; D583-R674 IonicContact OD1-NE 3.08Å; D583-R674 PolarHBondContact OD1-NE 2.98Å; D583-R674 IonicContact OD1-NH2 3.52Å; D583-R674 PolarHBondContact OD1-NH2 3.31Å; D583-R674 IonicContact OD2-CZ 3.95Å; D583-R674 IonicContact OD2-NE 3.34Å; D583-R674 IonicContact OD2-NH2 3.6Å; D583-R674 PolarHBondContact OD2-NH2 3.38Å; D583-R674 VanDerWaalsContact OD2-NH2 3.08Å; E643-R674 HydrophobicContact CB-CB 4.29Å; E643-R674 HydrophobicContact CB-CG 4.1Å; E643-R674 WeakPolarHBondContact CB-O 3.4Å; E643-R674 PolarHBondContact N-O 3.32Å; E643-R674 WeakPolarHBondContact OE2-CD 3.32Å; E643-R674 VanDerWaalsContact OE2-CG 3.25Å; E643-R674 WeakPolarHBondContact OE2-CG 3.45Å; G644-R674 PolarHBondContact N-O 3.04Å; G644-R674 PolarHBondContact O-N 2.76Å; L646-R674 HydrophobicContact CD2-CB 4.21Å; L646-R674 HydrophobicContact CG-CB 4.38Å; L652-R674 HydrophobicContact CD2-CB 4.04Å |
| 675 | V | 97.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 151.2 | -176.1 | -52.7 | 0 | 0 | 0 | 0 | 111.7 | R581 A582 V584 C640 E641 I642 | R581-V675 WeakPolarHBondContact CA-O 3.04Å; A582-V675 HydrophobicContact CB-CG2 4.04Å; A582-V675 PolarHBondContact N-O 3.07Å; A582-V675 WeakPolarHBondContact O-CG2 3.46Å; A582-V675 PolarHBondContact O-N 3.47Å; V584-V675 HydrophobicContact CG2-CG1 4.01Å; V584-V675 HydrophobicContact CG2-CG2 3.9Å; C640-V675 HydrophobicContact CB-CB 3.99Å; C640-V675 HydrophobicContact CB-CG2 3.89Å; E641-V675 CarbonylContact O-C 3.51Å; E641-V675 WeakPolarHBondContact O-CA 3.4Å; E641-V675 WeakPolarHBondContact O-CB 3.44Å; I642-V675 HydrophobicContact CD1-CG1 3.74Å |
| 676 | W | 97.4 | Very high | 93.5 | Very high | 50 Ų | 50 | 37.4 Ų | 37.4 | 19% | 0.189 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 131.3 | 168.3 | -58.6 | -32.9 | 0 | 0 | 0 | 110.3 | V580 K603 H604 C640 E641 E643 | V580-W676 WeakPolarHBondContact O-CA 3.44Å; K603-W676 VanDerWaalsContact CE-CH2 3.49Å; H604-W676 AromaticContact CE1-CZ3 3.68Å; H604-W676 AromaticContact ND1-CZ3 3.82Å; C640-W676 CarbonylContact C-O 3.57Å; C640-W676 WeakPolarHBondContact CA-O 3.45Å; C640-W676 WeakPolarHBondContact CB-O 3.09Å; E641-W676 HydrophobicContact CB-CB 4.42Å; E641-W676 HydrophobicContact CB-CE3 4.37Å; E641-W676 HydrophobicContact CG-CE3 4.19Å; E641-W676 PolarHBondContact N-O 3.27Å; E641-W676 PolarHBondContact O-N 2.81Å; E643-W676 HydrophobicContact CB-CD2 4.39Å; E643-W676 HydrophobicContact CB-CZ2 3.99Å; E643-W676 HydrophobicContact CG-CZ2 3.61Å; E643-W676 PolarHBondContact OE1-NE1 2.89Å; E643-W676 PolarHBondContact OE2-NE1 2.85Å |
| 677 | L | 97.8 | Very high | 94 | Very high | 9 Ų | 9 | 40.8 Ų | 40.8 | 5% | 0.047 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 153 | 173.3 | -60.4 | 168.7 | 0 | 0 | 0 | 110 | F562 V564 V580 A582 L609 C640 S679 Y698 | F562-L677 HydrophobicContact CZ-CD1 4.19Å; F562-L677 HydrophobicContact CZ-CD2 4.34Å; V564-L677 HydrophobicContact CG2-CD1 4.17Å; V580-L677 HydrophobicContact CB-CB 4.04Å; V580-L677 HydrophobicContact CG1-CB 3.95Å; V580-L677 HydrophobicContact CG1-CD1 3.68Å; V580-L677 HydrophobicContact CG1-CG 4.31Å; V580-L677 PolarHBondContact O-N 3.16Å; A582-L677 HydrophobicContact CB-CD1 3.89Å; A582-L677 HydrophobicContact CB-CG 4.25Å; L609-L677 HydrophobicContact CD1-CD2 3.7Å; C640-L677 HydrophobicContact CB-CD2 3.92Å; L677-S679 PolarHBondContact O-N 2.93Å; L677-Y698 HydrophobicContact CD1-CD1 3.8Å; L677-Y698 HydrophobicContact CD1-CE1 3.52Å; L677-Y698 HydrophobicContact CD2-CE1 4.42Å; L677-Y698 HydrophobicContact CG-CE1 4.47Å |
| 678 | D | 96.5 | Very high | 94.5 | Very high | 23 Ų | 23 | 39.1 Ų | 39.1 | 12% | 0.123 | 19% | 0.192 | C | C | . | . | P | Polyproline II helix | trans | -66 | 119.1 | 172.9 | -175.3 | -47.1 | 0 | 0 | 0 | 110.2 | P468 L469 Y470 N680 Q681 Y682 | P468-D678 WeakPolarHBondContact CA-OD2 3.27Å; L469-D678 PolarHBondContact N-OD2 3.14Å; Y470-D678 HydrophobicContact CD2-CB 3.73Å; Y470-D678 HydrophobicContact CE2-CB 4.08Å; D678-N680 WeakPolarHBondContact OD1-CA 3.21Å; D678-N680 VanDerWaalsContact OD1-CB 3.31Å; D678-N680 WeakPolarHBondContact OD1-CB 3.47Å; D678-N680 PolarHBondContact OD1-N 3.25Å; D678-Q681 HydrophobicContact CB-CB 3.96Å; D678-Q681 PolarHBondContact O-N 2.83Å; D678-Q681 PolarHBondContact OD1-N 2.96Å; D678-Y682 PolarHBondContact O-N 3.11Å |
| 679 | S | 96.6 | Very high | 94.7 | Very high | 22 Ų | 22 | 39 Ų | 39 | 15% | 0.154 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -73.4 | -28.3 | -174.1 | -56 | 0 | 0 | 0 | 0 | 112.9 | P577 L677 R683 | P577-S679 WeakPolarHBondContact O-CB 3.49Å; P577-S679 PolarHBondContact O-OG 3.21Å; L677-S679 PolarHBondContact O-N 2.93Å; S679-R683 PolarHBondContact O-N 3.36Å; S679-R683 VanDerWaalsContact O-N 3.14Å |
| 680 | N | 95.9 | Very high | 94.7 | Very high | 11 Ų | 11 | 41.5 Ų | 41.5 | 6% | 0.059 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -67.1 | -45.9 | 171.5 | -72.1 | -31.7 | 0 | 0 | 0 | 109.6 | N465 M467 P468 C576 D678 Y682 R683 D684 | N465-N680 PolarHBondContact O-ND2 3.11Å; M467-N680 PolarHBondContact O-ND2 2.71Å; M467-N680 VanDerWaalsContact O-ND2 3.13Å; P468-N680 HydrophobicContact CG-CB 4.15Å; C576-N680 PolarHBondContact SG-OD1 2.84Å; D678-N680 WeakPolarHBondContact OD1-CA 3.21Å; D678-N680 VanDerWaalsContact OD1-CB 3.31Å; D678-N680 WeakPolarHBondContact OD1-CB 3.47Å; D678-N680 PolarHBondContact OD1-N 3.25Å; N680-Y682 PolarHBondContact O-N 3.32Å; N680-R683 WeakPolarHBondContact O-CB 3.39Å; N680-R683 PolarHBondContact O-N 2.74Å; N680-D684 VanDerWaalsContact O-CG 3.22Å; N680-D684 PolarHBondContact O-N 3.07Å |
| 681 | Q | 97 | Very high | 94.4 | Very high | 17 Ų | 17 | 42.8 Ų | 42.8 | 8% | 0.079 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.3 | -42.1 | 178.7 | -171.5 | 56.6 | 56.9 | 0 | 0 | 112.1 | P468 T472 D678 R683 D684 D685 | P468-Q681 HydrophobicContact CB-CB 4.07Å; P468-Q681 HydrophobicContact CG-CB 4.04Å; P468-Q681 VanDerWaalsContact CG-OE1 3.29Å; T472-Q681 HydrophobicContact CG2-CG 4.44Å; D678-Q681 HydrophobicContact CB-CB 3.96Å; D678-Q681 PolarHBondContact O-N 2.83Å; D678-Q681 PolarHBondContact OD1-N 2.96Å; Q681-R683 VanDerWaalsContact C-N 3.34Å; Q681-R683 PolarHBondContact O-N 3.31Å; Q681-D684 PolarHBondContact O-N 3.18Å; Q681-D685 PolarHBondContact NE2-OD1 3.25Å; Q681-D685 PolarHBondContact NE2-OD2 3.34Å; Q681-D685 WeakPolarHBondContact O-CB 3.26Å; Q681-D685 VanDerWaalsContact O-CG 3.29Å; Q681-D685 PolarHBondContact O-N 3Å |
| 682 | Y | 96.8 | Very high | 93.9 | Very high | 40 Ų | 40 | 47 Ų | 47 | 16% | 0.157 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.3 | -42 | 176.4 | -175.7 | -88.4 | 0 | 0 | 0 | 112.8 | V564 V567 P577 V580 D678 N680 L686 Y698 | V564-Y682 HydrophobicContact CG1-CE2 4.46Å; V564-Y682 HydrophobicContact CG2-CE2 4.44Å; V567-Y682 HydrophobicContact CG1-CE1 4.09Å; V567-Y682 HydrophobicContact CG2-CE1 4.14Å; P577-Y682 HydrophobicContact CG-CD1 3.98Å; V580-Y682 HydrophobicContact CG1-CD2 3.77Å; V580-Y682 HydrophobicContact CG1-CE2 4.12Å; V580-Y682 HydrophobicContact CG1-CG 4.09Å; V580-Y682 HydrophobicContact CG2-CD1 4.05Å; V580-Y682 HydrophobicContact CG2-CD2 4.43Å; V580-Y682 HydrophobicContact CG2-CG 3.9Å; D678-Y682 PolarHBondContact O-N 3.11Å; N680-Y682 PolarHBondContact O-N 3.32Å; Y682-L686 HydrophobicContact CE1-CD2 4.5Å; Y682-L686 WeakPolarHBondContact O-CB 3.38Å; Y682-L686 PolarHBondContact O-N 2.92Å; Y682-Y698 WeakPolarHBondContact CA-OH 3.28Å; Y682-Y698 WeakPolarHBondContact CB-OH 3.46Å; Y682-Y698 HydrophobicContact CD2-CD2 4.16Å; Y682-Y698 AromaticContact CD2-CE1 3.94Å; Y682-Y698 HydrophobicContact CD2-CE1 3.94Å; Y682-Y698 AromaticContact CD2-CE2 3.43Å; Y682-Y698 HydrophobicContact CD2-CE2 3.43Å; Y682-Y698 VanDerWaalsContact CD2-CE2 3.43Å; Y682-Y698 AromaticContact CD2-CZ 3.33Å; Y682-Y698 WeakPolarHBondContact CD2-OH 3.43Å; Y682-Y698 HydrophobicContact CE2-CD2 4Å; Y682-Y698 HydrophobicContact CE2-CE1 4.5Å; Y682-Y698 AromaticContact CE2-CE2 3.71Å; Y682-Y698 HydrophobicContact CE2-CE2 3.71Å; Y682-Y698 HydrophobicContact CG-CE2 4.36Å |
| 683 | R | 94.8 | Very high | 93.3 | Very high | 32 Ų | 32 | 48.8 Ų | 48.8 | 12% | 0.121 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -59.8 | -48.4 | 173.6 | 178.9 | -160.8 | 67.8 | -159.9 | -6.9 | 110.9 | N466 N575 C576 S679 N680 Q681 D685 L686 Q687 | N466-R683 PolarHBondContact O-NH2 2.55Å; N466-R683 PolarHBondContact OD1-NH1 3.34Å; N575-R683 WeakPolarHBondContact O-CD 3.33Å; C576-R683 HydrophobicContact CB-CB 4.32Å; S679-R683 PolarHBondContact O-N 3.36Å; S679-R683 VanDerWaalsContact O-N 3.14Å; N680-R683 WeakPolarHBondContact O-CB 3.39Å; N680-R683 PolarHBondContact O-N 2.74Å; Q681-R683 VanDerWaalsContact C-N 3.34Å; Q681-R683 PolarHBondContact O-N 3.31Å; R683-D685 VanDerWaalsContact C-N 3.34Å; R683-D685 PolarHBondContact O-N 3.31Å; R683-L686 PolarHBondContact O-N 3.09Å; R683-Q687 WeakPolarHBondContact O-CB 3.34Å; R683-Q687 WeakPolarHBondContact O-CG 3.46Å; R683-Q687 PolarHBondContact O-N 2.9Å |
| 684 | D | 94.1 | Very high | 92.4 | Very high | 37 Ų | 37 | 50.3 Ų | 50.3 | 20% | 0.198 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65.3 | -39.4 | -175.9 | -64.9 | -6.6 | 0 | 0 | 0 | 111.2 | N680 Q681 Q687 K688 | N680-D684 VanDerWaalsContact O-CG 3.22Å; N680-D684 PolarHBondContact O-N 3.07Å; Q681-D684 PolarHBondContact O-N 3.18Å; D684-Q687 PolarHBondContact O-N 3.17Å; D684-K688 WeakPolarHBondContact O-CB 3.48Å; D684-K688 WeakPolarHBondContact O-CG 3.26Å; D684-K688 PolarHBondContact O-N 2.75Å |
| 685 | D | 95 | Very high | 92.1 | Very high | 9 Ų | 9 | 52.1 Ų | 52.1 | 5% | 0.048 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.4 | -45.2 | 175.2 | -69.9 | -26.9 | 0 | 0 | 0 | 111.7 | R638 Q681 R683 Q687 K688 Q689 Y698 | R638-D685 IonicContact CZ-OD1 2.91Å; R638-D685 IonicContact CZ-OD2 2.81Å; R638-D685 IonicContact NE-OD1 3.85Å; R638-D685 IonicContact NE-OD2 3.27Å; R638-D685 PolarHBondContact NE-OD2 3.14Å; R638-D685 IonicContact NH2-OD1 3.6Å; R638-D685 PolarHBondContact NH2-OD1 2.87Å; R638-D685 IonicContact NH2-OD2 2.66Å; R638-D685 PolarHBondContact NH2-OD2 3.43Å; Q681-D685 PolarHBondContact NE2-OD1 3.25Å; Q681-D685 PolarHBondContact NE2-OD2 3.34Å; Q681-D685 WeakPolarHBondContact O-CB 3.26Å; Q681-D685 VanDerWaalsContact O-CG 3.29Å; Q681-D685 PolarHBondContact O-N 3Å; R683-D685 VanDerWaalsContact C-N 3.34Å; R683-D685 PolarHBondContact O-N 3.31Å; D685-Q687 VanDerWaalsContact C-N 3.33Å; D685-Q687 PolarHBondContact O-N 2.98Å; D685-K688 PolarHBondContact O-N 2.73Å; D685-Q689 WeakPolarHBondContact O-CB 3.26Å; D685-Q689 PolarHBondContact O-N 3.23Å; D685-Y698 HydrophobicContact CB-CE2 4.07Å; D685-Y698 PolarHBondContact OD2-OH 2.83Å |
| 686 | L | 92.3 | Very high | 91.8 | Very high | 80 Ų | 80 | 55.9 Ų | 55.9 | 42% | 0.419 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -63.6 | -38.3 | 177.4 | -174.8 | 65.5 | 0 | 0 | 0 | 112.1 | Y682 R683 T690 | Y682-L686 HydrophobicContact CE1-CD2 4.5Å; Y682-L686 WeakPolarHBondContact O-CB 3.38Å; Y682-L686 PolarHBondContact O-N 2.92Å; R683-L686 PolarHBondContact O-N 3.09Å; L686-T690 WeakPolarHBondContact O-CB 3.44Å; L686-T690 PolarHBondContact O-N 2.94Å; L686-T690 PolarHBondContact O-OG1 3.1Å |
| 687 | Q | 91.6 | Very high | 91.7 | Very high | 116 Ų | 116 | 54.2 Ų | 54.2 | 54% | 0.542 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -66.4 | -45.2 | 175 | -75.7 | -179.5 | 0.1 | 0 | 0 | 111.7 | R683 D684 D685 T690 A691 | R683-Q687 WeakPolarHBondContact O-CB 3.34Å; R683-Q687 WeakPolarHBondContact O-CG 3.46Å; R683-Q687 PolarHBondContact O-N 2.9Å; D684-Q687 PolarHBondContact O-N 3.17Å; D685-Q687 VanDerWaalsContact C-N 3.33Å; D685-Q687 PolarHBondContact O-N 2.98Å; Q687-T690 PolarHBondContact O-N 3.47Å; Q687-A691 VanDerWaalsContact O-CB 3.25Å; Q687-A691 WeakPolarHBondContact O-CB 3.5Å; Q687-A691 PolarHBondContact O-N 3.11Å |
| 688 | K | 90.3 | Very high | 91.6 | Very high | 90 Ų | 90 | 54.7 Ų | 54.7 | 39% | 0.391 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -58.6 | -48.5 | 174.6 | -76 | 177.6 | -177.9 | 179.6 | 0 | 110.6 | E474 D684 D685 T690 A691 S692 | E474-K688 IonicContact OE1-NZ 3.4Å; E474-K688 PolarHBondContact OE1-NZ 2.78Å; E474-K688 IonicContact OE2-NZ 3.15Å; E474-K688 PolarHBondContact OE2-NZ 3.47Å; D684-K688 WeakPolarHBondContact O-CB 3.48Å; D684-K688 WeakPolarHBondContact O-CG 3.26Å; D684-K688 PolarHBondContact O-N 2.75Å; D685-K688 PolarHBondContact O-N 2.73Å; K688-T690 VanDerWaalsContact C-N 3.34Å; K688-T690 PolarHBondContact O-N 3.37Å; K688-A691 PolarHBondContact O-N 3.43Å; K688-S692 PolarHBondContact O-N 2.63Å; K688-S692 PolarHBondContact O-OG 2.96Å |
| 689 | Q | 89.4 | Confident | 91.4 | Very high | 68 Ų | 68 | 56.5 Ų | 56.5 | 32% | 0.318 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -56.3 | -46.4 | 177.7 | -170.4 | -176.9 | 9.3 | 0 | 0 | 112.1 | D685 G693 G694 | D685-Q689 WeakPolarHBondContact O-CB 3.26Å; D685-Q689 PolarHBondContact O-N 3.23Å; Q689-G693 VanDerWaalsContact O-CA 3.26Å; Q689-G693 WeakPolarHBondContact O-CA 3.36Å; Q689-G693 PolarHBondContact O-N 2.79Å; Q689-G694 WeakPolarHBondContact CG-O 3.34Å; Q689-G694 PolarHBondContact O-N 2.58Å |
| 690 | T | 89.2 | Confident | 91.3 | Very high | 114 Ų | 114 | 56.8 Ų | 56.8 | 70% | 0.699 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -69.2 | -37.7 | -179.5 | -54.1 | 0 | 0 | 0 | 0 | 112.5 | L686 Q687 K688 | L686-T690 WeakPolarHBondContact O-CB 3.44Å; L686-T690 PolarHBondContact O-N 2.94Å; L686-T690 PolarHBondContact O-OG1 3.1Å; Q687-T690 PolarHBondContact O-N 3.47Å; K688-T690 VanDerWaalsContact C-N 3.34Å; K688-T690 PolarHBondContact O-N 3.37Å |
| 691 | A | 88.3 | Confident | 91.4 | Very high | 92 Ų | 92 | 56.9 Ų | 56.9 | 76% | 0.76 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -80.2 | -39.8 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q687 K688 | Q687-A691 VanDerWaalsContact O-CB 3.25Å; Q687-A691 WeakPolarHBondContact O-CB 3.5Å; Q687-A691 PolarHBondContact O-N 3.11Å; K688-A691 PolarHBondContact O-N 3.43Å |
| 692 | S | 82.4 | Confident | 91.4 | Very high | 95 Ų | 95 | 57.6 Ų | 57.6 | 66% | 0.664 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -108.6 | -4.1 | -175.6 | 65 | 0 | 0 | 0 | 0 | 114.6 | K688 G694 | K688-S692 PolarHBondContact O-N 2.63Å; K688-S692 PolarHBondContact O-OG 2.96Å; S692-G694 VanDerWaalsContact C-N 3.3Å |
| 693 | G | 81.7 | Confident | 91.4 | Very high | 67 Ų | 67 | 55.7 Ų | 55.7 | 69% | 0.691 | 35% | 0.345 | S | S | * | . | trans | 68.5 | 30.3 | -172.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q689 | Q689-G693 VanDerWaalsContact O-CA 3.26Å; Q689-G693 WeakPolarHBondContact O-CA 3.36Å; Q689-G693 PolarHBondContact O-N 2.79Å | ||
| 694 | G | 79.5 | Confident | 91.6 | Very high | 34 Ų | 34 | 54.3 Ų | 54.3 | 35% | 0.351 | 34% | 0.339 | S | S | . | . | trans | -62.2 | 166.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q689 S692 | Q689-G694 WeakPolarHBondContact CG-O 3.34Å; Q689-G694 PolarHBondContact O-N 2.58Å; S692-G694 VanDerWaalsContact C-N 3.3Å | ||
| 695 | E | 89.3 | Confident | 91.8 | Very high | 89 Ų | 89 | 52.6 Ų | 52.6 | 42% | 0.416 | 33% | 0.33 | S | S | . | . | trans | -70.7 | 159.1 | 174.5 | 65.7 | -177.9 | 154.9 | 0 | 0 | 112.7 | R613 H636 V697 | R613-E695 IonicContact CZ-OE1 3.46Å; R613-E695 VanDerWaalsContact CZ-OE1 3.28Å; R613-E695 IonicContact CZ-OE2 3.8Å; R613-E695 IonicContact NH1-OE1 2.69Å; R613-E695 PolarHBondContact NH1-OE1 2.88Å; R613-E695 IonicContact NH1-OE2 3.05Å; R613-E695 IonicContact NH2-OE1 3.9Å; R613-E695 PolarHBondContact NH2-OE1 3.15Å; R613-E695 IonicContact NH2-OE2 2.64Å; R613-E695 PolarHBondContact NH2-OE2 2.73Å; H636-E695 IonicContact NE2-OE1 3.42Å; H636-E695 PolarHBondContact NE2-OE1 3.48Å; E695-V697 PolarHBondContact O-N 2.92Å; E695-V697 VanDerWaalsContact O-N 3.1Å | ||
| 696 | D | 91.8 | Very high | 91.7 | Very high | 79 Ų | 79 | 53 Ų | 53 | 42% | 0.422 | 33% | 0.331 | S | S | . | . | trans | -75.2 | 97.1 | 172.6 | 176.3 | 16.8 | 0 | 0 | 0 | 110.2 | Y698 G699 T700 | D696-Y698 PolarHBondContact O-N 3.45Å; D696-Y698 VanDerWaalsContact O-N 3.17Å; D696-Y698 PolarHBondContact OD1-N 3.42Å; D696-Y698 VanDerWaalsContact OD1-N 3.13Å; D696-G699 PolarHBondContact O-N 3.29Å; D696-G699 VanDerWaalsContact O-N 3.11Å; D696-T700 WeakPolarHBondContact O-CG2 3.35Å | ||
| 697 | V | 94.6 | Very high | 91.6 | Very high | 15 Ų | 15 | 49.6 Ų | 49.6 | 9% | 0.091 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -49.2 | -42.3 | 178.5 | 178.3 | 0 | 0 | 0 | 0 | 111.5 | H636 R638 E695 G699 T700 F701 | H636-V697 HydrophobicContact CB-CG1 4.04Å; R638-V697 HydrophobicContact CG-CG1 4.39Å; E695-V697 PolarHBondContact O-N 2.92Å; E695-V697 VanDerWaalsContact O-N 3.1Å; V697-G699 VanDerWaalsContact C-N 3.33Å; V697-G699 PolarHBondContact O-N 3.31Å; V697-T700 PolarHBondContact O-N 2.92Å; V697-T700 VanDerWaalsContact O-N 3.13Å; V697-T700 PolarHBondContact O-OG1 2.83Å; V697-F701 HydrophobicContact CG1-CE1 4.21Å; V697-F701 HydrophobicContact CG1-CZ 3.91Å |
| 698 | Y | 95.9 | Very high | 91.2 | Very high | 18 Ų | 18 | 49.8 Ų | 49.8 | 7% | 0.071 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -71.3 | -27.6 | -173.8 | -66.1 | -81.2 | 0 | 0 | 0 | 112.9 | F562 V564 L677 Y682 D685 D696 T700 F701 | F562-Y698 WeakPolarHBondContact CD1-O 3.32Å; F562-Y698 HydrophobicContact CE1-CD1 4.04Å; F562-Y698 HydrophobicContact CZ-CD1 4.36Å; V564-Y698 HydrophobicContact CG2-CD1 4.06Å; V564-Y698 HydrophobicContact CG2-CG 4.14Å; L677-Y698 HydrophobicContact CD1-CD1 3.8Å; L677-Y698 HydrophobicContact CD1-CE1 3.52Å; L677-Y698 HydrophobicContact CD2-CE1 4.42Å; L677-Y698 HydrophobicContact CG-CE1 4.47Å; Y682-Y698 WeakPolarHBondContact CA-OH 3.28Å; Y682-Y698 WeakPolarHBondContact CB-OH 3.46Å; Y682-Y698 HydrophobicContact CD2-CD2 4.16Å; Y682-Y698 AromaticContact CD2-CE1 3.94Å; Y682-Y698 HydrophobicContact CD2-CE1 3.94Å; Y682-Y698 AromaticContact CD2-CE2 3.43Å; Y682-Y698 HydrophobicContact CD2-CE2 3.43Å; Y682-Y698 VanDerWaalsContact CD2-CE2 3.43Å; Y682-Y698 AromaticContact CD2-CZ 3.33Å; Y682-Y698 WeakPolarHBondContact CD2-OH 3.43Å; Y682-Y698 HydrophobicContact CE2-CD2 4Å; Y682-Y698 HydrophobicContact CE2-CE1 4.5Å; Y682-Y698 AromaticContact CE2-CE2 3.71Å; Y682-Y698 HydrophobicContact CE2-CE2 3.71Å; Y682-Y698 HydrophobicContact CG-CE2 4.36Å; D685-Y698 HydrophobicContact CB-CE2 4.07Å; D685-Y698 PolarHBondContact OD2-OH 2.83Å; D696-Y698 PolarHBondContact O-N 3.45Å; D696-Y698 VanDerWaalsContact O-N 3.17Å; D696-Y698 PolarHBondContact OD1-N 3.42Å; D696-Y698 VanDerWaalsContact OD1-N 3.13Å; Y698-T700 VanDerWaalsContact C-N 3.26Å; Y698-T700 PolarHBondContact O-N 3.2Å; Y698-F701 AromaticContact CD1-CE2 3.73Å; Y698-F701 HydrophobicContact CD1-CE2 3.73Å; Y698-F701 HydrophobicContact CD1-CZ 4.35Å; Y698-F701 HydrophobicContact CE1-CE2 4.27Å; Y698-F701 HydrophobicContact CG-CE2 4.37Å |
| 699 | G | 92.8 | Very high | 90.3 | Very high | 61 Ų | 61 | 49.5 Ų | 49.5 | 63% | 0.629 | 32% | 0.319 | S | S | * | . | G | 310 helix | trans | -74.5 | -10.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | D696 V697 | D696-G699 PolarHBondContact O-N 3.29Å; D696-G699 VanDerWaalsContact O-N 3.11Å; V697-G699 VanDerWaalsContact C-N 3.33Å; V697-G699 PolarHBondContact O-N 3.31Å |
| 700 | T | 94.8 | Very high | 89.3 | Confident | 29 Ų | 29 | 54 Ų | 54 | 18% | 0.178 | 34% | 0.338 | C | S | . | . | G | 310 helix | trans | -104.1 | -4.6 | -170 | 66.7 | 0 | 0 | 0 | 0 | 115.5 | T611 D696 V697 Y698 N702 | T611-T700 VanDerWaalsContact CG2-O 3.3Å; T611-T700 WeakPolarHBondContact CG2-O 3.48Å; T611-T700 PolarHBondContact OG1-O 2.92Å; T611-T700 PolarHBondContact OG1-OG1 3.23Å; D696-T700 WeakPolarHBondContact O-CG2 3.35Å; V697-T700 PolarHBondContact O-N 2.92Å; V697-T700 VanDerWaalsContact O-N 3.13Å; V697-T700 PolarHBondContact O-OG1 2.83Å; Y698-T700 VanDerWaalsContact C-N 3.26Å; Y698-T700 PolarHBondContact O-N 3.2Å; T700-N702 PolarHBondContact O-N 3Å |
| 701 | F | 97.4 | Very high | 88.6 | Confident | 13 Ų | 13 | 52 Ų | 52 | 6% | 0.057 | 32% | 0.32 | C | S | . | . | trans | -66.5 | 128.7 | -176.6 | -62.5 | -52.2 | 0 | 0 | 0 | 111.8 | I559 F562 L609 T611 H636 R638 V697 Y698 | I559-F701 HydrophobicContact CD1-CB 3.84Å; F562-F701 AromaticContact CD1-CD2 3.92Å; F562-F701 HydrophobicContact CD1-CD2 3.92Å; F562-F701 HydrophobicContact CD2-CD2 4.3Å; F562-F701 AromaticContact CE1-CD2 3.81Å; F562-F701 HydrophobicContact CE1-CD2 3.81Å; F562-F701 HydrophobicContact CE1-CE2 4.04Å; F562-F701 HydrophobicContact CE2-CD2 4.23Å; F562-F701 HydrophobicContact CG-CD2 4.14Å; F562-F701 AromaticContact CZ-CD2 3.96Å; F562-F701 HydrophobicContact CZ-CD2 3.96Å; F562-F701 HydrophobicContact CZ-CE2 4.09Å; L609-F701 HydrophobicContact CB-CB 4.35Å; L609-F701 HydrophobicContact CB-CD1 3.69Å; L609-F701 HydrophobicContact CB-CD2 3.94Å; L609-F701 HydrophobicContact CB-CE1 3.92Å; L609-F701 HydrophobicContact CB-CE2 4.13Å; L609-F701 HydrophobicContact CB-CG 3.73Å; L609-F701 HydrophobicContact CB-CZ 4.15Å; L609-F701 HydrophobicContact CD1-CD2 4.01Å; L609-F701 HydrophobicContact CD1-CE2 3.96Å; L609-F701 HydrophobicContact CG-CD2 4.5Å; T611-F701 WeakPolarHBondContact OG1-CA 3.38Å; T611-F701 WeakPolarHBondContact OG1-CD1 3.43Å; T611-F701 PolarHBondContact OG1-N 2.98Å; H636-F701 HydrophobicContact CB-CE1 4.31Å; R638-F701 HydrophobicContact CB-CE1 4.13Å; R638-F701 HydrophobicContact CB-CZ 3.75Å; R638-F701 HydrophobicContact CG-CE1 3.93Å; R638-F701 HydrophobicContact CG-CZ 3.49Å; R638-F701 VanDerWaalsContact CG-CZ 3.49Å; V697-F701 HydrophobicContact CG1-CE1 4.21Å; V697-F701 HydrophobicContact CG1-CZ 3.91Å; Y698-F701 AromaticContact CD1-CE2 3.73Å; Y698-F701 HydrophobicContact CD1-CE2 3.73Å; Y698-F701 HydrophobicContact CD1-CZ 4.35Å; Y698-F701 HydrophobicContact CE1-CE2 4.27Å; Y698-F701 HydrophobicContact CG-CE2 4.37Å | ||
| 702 | N | 96.5 | Very high | 88.2 | Confident | 32 Ų | 32 | 48.2 Ų | 48.2 | 17% | 0.171 | 29% | 0.287 | C | S | . | . | trans | -128.3 | -6.9 | -178.5 | 57.9 | 17.3 | 0 | 0 | 0 | 114 | P558 I559 V610 V612 T700 | P558-N702 WeakPolarHBondContact CA-O 3.33Å; I559-N702 PolarHBondContact N-O 3.29Å; V610-N702 PolarHBondContact O-N 3.35Å; V610-N702 PolarHBondContact O-OD1 3.44Å; V612-N702 WeakPolarHBondContact CG2-OD1 3.42Å; V612-N702 PolarHBondContact N-OD1 3.22Å; V612-N702 PolarHBondContact O-ND2 3.47Å; T700-N702 PolarHBondContact O-N 3Å | ||
| 703 | V | 98.1 | Very high | 88.2 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 136.6 | 175.2 | 179.7 | 0 | 0 | 0 | 0 | 110.6 | L532 L535 F549 A556 L557 I559 V610 V612 I705 | L532-V703 HydrophobicContact CD2-CG2 4.5Å; L535-V703 HydrophobicContact CD1-CG1 3.73Å; L535-V703 HydrophobicContact CD1-CG2 4.32Å; F549-V703 HydrophobicContact CE1-CG2 3.52Å; F549-V703 HydrophobicContact CE2-CG2 4.46Å; F549-V703 HydrophobicContact CZ-CG2 3.36Å; A556-V703 HydrophobicContact CB-CG1 4.21Å; L557-V703 WeakPolarHBondContact O-CA 3.48Å; I559-V703 VanDerWaalsContact CD1-C 3.46Å; I559-V703 WeakPolarHBondContact CD1-O 3.49Å; V610-V703 HydrophobicContact CB-CB 4.26Å; V610-V703 PolarHBondContact N-O 2.99Å; V610-V703 PolarHBondContact O-N 2.92Å; V612-V703 HydrophobicContact CG2-CG2 4.04Å; V703-I705 HydrophobicContact CG1-CD1 4.46Å; V703-I705 HydrophobicContact CG1-CG1 3.9Å |
| 704 | I | 98.2 | Very high | 88.5 | Confident | 2 Ų | 2 | 42.8 Ų | 42.8 | 1% | 0.01 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 137.6 | 164.6 | -172.3 | 164.6 | 0 | 0 | 0 | 109.5 | A556 L557 I559 V584 L586 W598 C607 F608 L609 | A556-I704 CarbonylContact C-O 3.54Å; A556-I704 WeakPolarHBondContact CA-O 3.2Å; L557-I704 HydrophobicContact CB-CG2 4.12Å; L557-I704 PolarHBondContact N-O 3.06Å; L557-I704 WeakPolarHBondContact O-CG2 3.44Å; L557-I704 PolarHBondContact O-N 3.44Å; I559-I704 HydrophobicContact CD1-CB 4.19Å; I559-I704 HydrophobicContact CG1-CB 4Å; I559-I704 HydrophobicContact CG1-CG2 4.3Å; V584-I704 HydrophobicContact CG1-CD1 4.14Å; L586-I704 HydrophobicContact CD1-CG2 3.86Å; L586-I704 HydrophobicContact CD2-CB 4.43Å; L586-I704 HydrophobicContact CD2-CG2 3.4Å; L586-I704 HydrophobicContact CG-CG2 4.28Å; W598-I704 HydrophobicContact CH2-CG2 4.19Å; W598-I704 HydrophobicContact CZ3-CG2 4.23Å; C607-I704 HydrophobicContact CB-CD1 4.02Å; C607-I704 HydrophobicContact CB-CG1 4.12Å; F608-I704 CarbonylContact O-C 3.52Å; F608-I704 WeakPolarHBondContact O-CA 3.45Å; L609-I704 HydrophobicContact CD2-CD1 4.32Å; L609-I704 HydrophobicContact CD2-CG1 4.38Å |
| 705 | I | 97.8 | Very high | 89.1 | Confident | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.01 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 123.6 | 177.2 | -53 | -178.4 | 0 | 0 | 0 | 108.3 | I528 A531 M555 A556 C607 F608 V610 V703 | I528-I705 HydrophobicContact CB-CD1 4.38Å; I528-I705 HydrophobicContact CG1-CD1 3.96Å; I528-I705 HydrophobicContact CG2-CD1 4.47Å; A531-I705 HydrophobicContact CB-CD1 3.96Å; A531-I705 HydrophobicContact CB-CG1 4.41Å; A531-I705 HydrophobicContact CB-CG2 4.27Å; M555-I705 WeakPolarHBondContact O-CA 3.44Å; A556-I705 HydrophobicContact CB-CB 4.4Å; A556-I705 HydrophobicContact CB-CG1 3.82Å; A556-I705 HydrophobicContact CB-CG2 4.48Å; C607-I705 CarbonylContact C-O 3.56Å; C607-I705 WeakPolarHBondContact CA-O 3.48Å; F608-I705 HydrophobicContact CB-CB 4.37Å; F608-I705 PolarHBondContact N-O 3.45Å; F608-I705 PolarHBondContact O-N 3.43Å; V610-I705 HydrophobicContact CG2-CD1 3.81Å; V610-I705 HydrophobicContact CG2-CG1 4.23Å; V703-I705 HydrophobicContact CG1-CD1 4.46Å; V703-I705 HydrophobicContact CG1-CG1 3.9Å |
| 706 | R | 94.7 | Very high | 88.9 | Confident | 17 Ų | 17 | 40 Ų | 40 | 6% | 0.064 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 158.1 | 168.7 | 66.8 | 176.7 | 178.7 | 106.3 | 5 | 109.8 | R554 M555 E597 W598 L601 | R554-R706 PolarHBondContact O-NH2 3.34Å; M555-R706 HydrophobicContact CE-CG 3.91Å; M555-R706 WeakPolarHBondContact CE-O 3.47Å; M555-R706 PolarHBondContact O-N 2.99Å; M555-R706 HydrophobicContact SD-CG 4.48Å; E597-R706 IonicContact OE2-CZ 3.29Å; E597-R706 IonicContact OE2-NH1 3.07Å; E597-R706 PolarHBondContact OE2-NH1 3.44Å; E597-R706 IonicContact OE2-NH2 3.5Å; E597-R706 PolarHBondContact OE2-NH2 3.09Å; W598-R706 VanDerWaalsContact CE2-NE 3.31Å; W598-R706 HydrophobicContact CH2-CB 4.04Å; W598-R706 HydrophobicContact CH2-CG 3.64Å; W598-R706 HydrophobicContact CZ2-CG 3.79Å; W598-R706 HydrophobicContact CZ3-CB 4.17Å; W598-R706 HydrophobicContact CZ3-CG 4.04Å; L601-R706 HydrophobicContact CD2-CB 4.44Å |
| 707 | R | 90.1 | Very high | 88.7 | Confident | 9 Ų | 9 | 36.3 Ų | 36.3 | 3% | 0.034 | 20% | 0.196 | C | C | . | . | trans | -111.4 | 166.9 | 175.5 | -62.9 | -174.6 | 69.3 | -133 | -1.4 | 111.2 | D527 F608 E711 N712 | D527-R707 IonicContact OD2-CZ 3.58Å; D527-R707 IonicContact OD2-NE 3.67Å; D527-R707 PolarHBondContact OD2-NE 3.21Å; D527-R707 IonicContact OD2-NH2 3.86Å; D527-R707 PolarHBondContact OD2-NH2 3.27Å; F608-R707 HydrophobicContact CD2-CG 4.35Å; F608-R707 HydrophobicContact CE2-CG 4.13Å; R707-E711 PolarHBondContact NH1-O 3.06Å; R707-N712 HydrophobicContact CB-CB 4.16Å | ||
| 708 | K | 83.2 | Confident | 88.7 | Confident | 120 Ų | 120 | 35.6 Ų | 35.6 | 52% | 0.522 | 19% | 0.192 | S | C | . | . | trans | -67.3 | 130.1 | 174.5 | -69.4 | 174.9 | -175.8 | 161.2 | 0 | 109.4 | M555 K710 E711 N712 | M555-K708 HydrophobicContact CE-CG 4.13Å; K708-K710 VanDerWaalsContact C-N 3.27Å; K708-K710 PolarHBondContact O-N 2.98Å; K708-K710 VanDerWaalsContact O-N 3.13Å; K708-E711 PolarHBondContact O-N 3.2Å; K708-N712 WeakPolarHBondContact O-CB 3.27Å; K708-N712 PolarHBondContact O-N 3.29Å | ||
| 709 | P | 70.7 | Confident | 88.5 | Confident | 84 Ų | 84 | 36 Ų | 36 | 55% | 0.545 | 20% | 0.195 | S | C | . | . | G | 310 helix | trans | -52.3 | -41.2 | -176.3 | -30.2 | 35.3 | 0 | 0 | 0 | 114.1 | E711 N712 | P709-E711 PolarHBondContact O-N 2.96Å; P709-E711 VanDerWaalsContact O-N 3.16Å; P709-N712 PolarHBondContact O-N 2.97Å |
| 710 | K | 69.2 | Low | 88.3 | Confident | 162 Ų | 162 | 33.3 Ų | 33.3 | 70% | 0.704 | 17% | 0.167 | S | C | * | . | G | 310 helix | trans | -62.3 | -23.5 | 179.4 | -64.4 | -171 | 175.4 | -166.9 | 0 | 114.2 | K708 E912 | K708-K710 VanDerWaalsContact C-N 3.27Å; K708-K710 PolarHBondContact O-N 2.98Å; K708-K710 VanDerWaalsContact O-N 3.13Å; K710-E912 WeakPolarHBondContact CE-OE1 3.24Å; K710-E912 IonicContact NZ-OE1 3.74Å; K710-E912 PolarHBondContact NZ-OE1 2.95Å |
| 711 | E | 73.1 | Confident | 88.2 | Confident | 72 Ų | 72 | 32 Ų | 32 | 34% | 0.336 | 16% | 0.158 | S | C | . | . | G | 310 helix | trans | -108.3 | -1 | -177.4 | -64 | 173 | 167.5 | 0 | 0 | 112.1 | R707 K708 P709 N713 | R707-E711 PolarHBondContact NH1-O 3.06Å; K708-E711 PolarHBondContact O-N 3.2Å; P709-E711 PolarHBondContact O-N 2.96Å; P709-E711 VanDerWaalsContact O-N 3.16Å; E711-N713 PolarHBondContact O-N 2.97Å |
| 712 | N | 80.7 | Confident | 88 | Confident | 12 Ų | 12 | 33.5 Ų | 33.5 | 6% | 0.064 | 16% | 0.164 | C | C | . | . | trans | -97.1 | 19 | -169.1 | -152.8 | 24.9 | 0 | 0 | 0 | 114.8 | V606 R707 K708 P709 | V606-N712 WeakPolarHBondContact CB-OD1 3.38Å; V606-N712 PolarHBondContact N-ND2 3.47Å; V606-N712 VanDerWaalsContact N-ND2 3.14Å; V606-N712 PolarHBondContact O-ND2 3.07Å; R707-N712 HydrophobicContact CB-CB 4.16Å; K708-N712 WeakPolarHBondContact O-CB 3.27Å; K708-N712 PolarHBondContact O-N 3.29Å; P709-N712 PolarHBondContact O-N 2.97Å | ||
| 713 | N | 81.4 | Confident | 87.6 | Confident | 40 Ų | 40 | 34.9 Ų | 34.9 | 21% | 0.214 | 17% | 0.169 | C | C | . | . | trans | -93.9 | 1.7 | -172 | -62.1 | -36.6 | 0 | 0 | 0 | 114 | E711 K715 A716 V717 T1067 L1071 | E711-N713 PolarHBondContact O-N 2.97Å; N713-K715 VanDerWaalsContact C-N 3.33Å; N713-K715 PolarHBondContact O-N 2.97Å; N713-A716 PolarHBondContact O-N 3.49Å; N713-V717 PolarHBondContact O-N 3.24Å; N713-T1067 HydrophobicContact CB-CG2 3.91Å; N713-T1067 WeakPolarHBondContact ND2-CG2 3.4Å; N713-L1071 HydrophobicContact CB-CD1 4.41Å; N713-L1071 HydrophobicContact CB-CD2 4.03Å; N713-L1071 HydrophobicContact CB-CG 4.38Å | ||
| 714 | F | 89.7 | Confident | 87.2 | Confident | 8 Ų | 8 | 35 Ų | 35 | 4% | 0.035 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.7 | -39.7 | -169 | 72.5 | -79.7 | 0 | 0 | 0 | 113.2 | Y470 F516 I524 V606 F608 A716 V717 L718 | Y470-F714 HydrophobicContact CD1-CE2 4.11Å; Y470-F714 AromaticContact CD1-CZ 3.79Å; Y470-F714 HydrophobicContact CD1-CZ 3.79Å; Y470-F714 HydrophobicContact CE1-CZ 4.02Å; F516-F714 HydrophobicContact CE1-CB 3.8Å; F516-F714 HydrophobicContact CZ-CB 4.43Å; I524-F714 HydrophobicContact CD1-CD2 4.5Å; I524-F714 HydrophobicContact CD1-CE1 4.05Å; I524-F714 HydrophobicContact CD1-CE2 4Å; I524-F714 HydrophobicContact CD1-CZ 3.76Å; V606-F714 HydrophobicContact CG1-CE1 3.98Å; V606-F714 HydrophobicContact CG1-CZ 4.03Å; F608-F714 HydrophobicContact CZ-CE1 4.22Å; F608-F714 AromaticContact CZ-CZ 3.82Å; F608-F714 HydrophobicContact CZ-CZ 3.82Å; F714-A716 PolarHBondContact O-N 3.27Å; F714-V717 PolarHBondContact O-N 2.73Å; F714-L718 HydrophobicContact CD2-CD1 4.07Å; F714-L718 WeakPolarHBondContact O-CG 3.32Å; F714-L718 PolarHBondContact O-N 2.87Å |
| 715 | K | 91.1 | Very high | 86.7 | Confident | 40 Ų | 40 | 35.6 Ų | 35.6 | 17% | 0.174 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.8 | -42.5 | -178.7 | -176.9 | -105.9 | -176.8 | -171.6 | 0 | 111.7 | L469 Y470 V606 E641 N713 V717 L718 D719 | L469-K715 HydrophobicContact CB-CG 4.49Å; L469-K715 HydrophobicContact CD1-CG 4.41Å; Y470-K715 HydrophobicContact CE1-CB 4.06Å; Y470-K715 HydrophobicContact CE1-CG 3.83Å; V606-K715 HydrophobicContact CG2-CB 4.22Å; E641-K715 WeakPolarHBondContact OE2-CE 3.21Å; E641-K715 IonicContact OE2-NZ 2.68Å; E641-K715 PolarHBondContact OE2-NZ 3.27Å; N713-K715 VanDerWaalsContact C-N 3.33Å; N713-K715 PolarHBondContact O-N 2.97Å; K715-V717 PolarHBondContact O-N 3.02Å; K715-L718 PolarHBondContact O-N 2.9Å; K715-D719 WeakPolarHBondContact CE-OD2 3.08Å; K715-D719 IonicContact NZ-OD2 3.77Å; K715-D719 PolarHBondContact NZ-OD2 3.48Å; K715-D719 VanDerWaalsContact NZ-OD2 3.08Å; K715-D719 WeakPolarHBondContact O-CB 3.44Å; K715-D719 PolarHBondContact O-N 2.89Å |
| 716 | A | 84.6 | Confident | 86.1 | Confident | 24 Ų | 24 | 39 Ų | 39 | 20% | 0.198 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -66.6 | -36.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | N713 F714 T720 L1071 | N713-A716 PolarHBondContact O-N 3.49Å; F714-A716 PolarHBondContact O-N 3.27Å; A716-T720 WeakPolarHBondContact O-CB 3.27Å; A716-T720 PolarHBondContact O-N 3.22Å; A716-T720 PolarHBondContact O-OG1 3.42Å; A716-L1071 HydrophobicContact CB-CD2 3.47Å; A716-L1071 VanDerWaalsContact CB-CD2 3.47Å; A716-L1071 HydrophobicContact CB-CG 4.41Å |
| 717 | V | 89.1 | Confident | 85.5 | Confident | 2 Ų | 2 | 40.7 Ų | 40.7 | 1% | 0.012 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -66.7 | -46.2 | 173.6 | 179 | 0 | 0 | 0 | 0 | 110.4 | F516 N713 F714 K715 D719 T720 I721 A1070 I1101 | F516-V717 HydrophobicContact CD1-CB 4.43Å; F516-V717 HydrophobicContact CD1-CG1 4.13Å; F516-V717 HydrophobicContact CD2-CG1 4.41Å; F516-V717 HydrophobicContact CE1-CB 3.66Å; F516-V717 HydrophobicContact CE1-CG1 3.72Å; F516-V717 HydrophobicContact CE1-CG2 4.32Å; F516-V717 HydrophobicContact CE2-CG1 4.03Å; F516-V717 HydrophobicContact CG-CG1 4.46Å; F516-V717 HydrophobicContact CZ-CB 3.75Å; F516-V717 HydrophobicContact CZ-CG1 3.67Å; F516-V717 HydrophobicContact CZ-CG2 3.96Å; N713-V717 PolarHBondContact O-N 3.24Å; F714-V717 PolarHBondContact O-N 2.73Å; K715-V717 PolarHBondContact O-N 3.02Å; V717-D719 PolarHBondContact O-N 3.46Å; V717-T720 WeakPolarHBondContact O-CB 3.41Å; V717-T720 PolarHBondContact O-N 2.87Å; V717-I721 HydrophobicContact CG1-CD1 4.01Å; V717-I721 VanDerWaalsContact O-CG1 3.31Å; V717-I721 WeakPolarHBondContact O-CG1 3.22Å; V717-I721 PolarHBondContact O-N 2.97Å; V717-A1070 HydrophobicContact CG2-CB 3.87Å; V717-I1101 HydrophobicContact CG1-CD1 4.31Å |
| 718 | L | 93.5 | Very high | 84.6 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.7 | -43 | 176.2 | -70.1 | 175.6 | 0 | 0 | 0 | 112.3 | L469 F513 F516 R517 F714 K715 T720 I721 R722 | L469-L718 HydrophobicContact CD1-CB 4.24Å; L469-L718 HydrophobicContact CD2-CB 4.15Å; F513-L718 HydrophobicContact CD2-CD2 3.81Å; F513-L718 HydrophobicContact CE2-CB 4.06Å; F513-L718 HydrophobicContact CE2-CD2 3.85Å; F513-L718 HydrophobicContact CG-CD2 4.41Å; F513-L718 HydrophobicContact CZ-CD2 4.46Å; F516-L718 HydrophobicContact CB-CD2 4.41Å; F516-L718 HydrophobicContact CD1-CD2 3.83Å; F516-L718 HydrophobicContact CD1-CG 4.02Å; F516-L718 HydrophobicContact CE1-CG 4.47Å; R517-L718 HydrophobicContact CB-CD1 4.12Å; R517-L718 HydrophobicContact CB-CD2 3.9Å; R517-L718 HydrophobicContact CG-CD1 4.15Å; F714-L718 HydrophobicContact CD2-CD1 4.07Å; F714-L718 WeakPolarHBondContact O-CG 3.32Å; F714-L718 PolarHBondContact O-N 2.87Å; K715-L718 PolarHBondContact O-N 2.9Å; L718-T720 VanDerWaalsContact C-N 3.3Å; L718-T720 PolarHBondContact O-N 2.82Å; L718-I721 PolarHBondContact O-N 3.43Å; L718-R722 WeakPolarHBondContact O-CB 3.47Å; L718-R722 PolarHBondContact O-N 3.36Å |
| 719 | D | 91 | Very high | 84.1 | Confident | 26 Ų | 26 | 40.4 Ų | 40.4 | 14% | 0.139 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58.1 | -44 | 173.1 | -93.7 | -35.6 | 0 | 0 | 0 | 111.3 | L469 K715 V717 R722 Q723 | L469-D719 HydrophobicContact CD1-CB 4.29Å; L469-D719 VanDerWaalsContact CD1-CG 3.47Å; L469-D719 WeakPolarHBondContact CD1-OD1 3.29Å; K715-D719 WeakPolarHBondContact CE-OD2 3.08Å; K715-D719 IonicContact NZ-OD2 3.77Å; K715-D719 PolarHBondContact NZ-OD2 3.48Å; K715-D719 VanDerWaalsContact NZ-OD2 3.08Å; K715-D719 WeakPolarHBondContact O-CB 3.44Å; K715-D719 PolarHBondContact O-N 2.89Å; V717-D719 PolarHBondContact O-N 3.46Å; D719-R722 PolarHBondContact O-N 3.43Å; D719-R722 IonicContact OD1-CZ 3.28Å; D719-R722 IonicContact OD1-NE 3.41Å; D719-R722 IonicContact OD1-NH2 2.86Å; D719-R722 PolarHBondContact OD1-NH2 2.84Å; D719-Q723 WeakPolarHBondContact O-CB 3.38Å; D719-Q723 VanDerWaalsContact O-CG 3.23Å; D719-Q723 WeakPolarHBondContact O-CG 3.39Å; D719-Q723 PolarHBondContact O-N 2.82Å |
| 720 | T | 90.1 | Very high | 84.4 | Confident | 6 Ų | 6 | 38.1 Ų | 38.1 | 4% | 0.037 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.7 | -48.8 | 176.2 | -72.7 | 0 | 0 | 0 | 0 | 111.4 | A716 V717 L718 R722 Q723 L724 A1070 R1073 I1101 | A716-T720 WeakPolarHBondContact O-CB 3.27Å; A716-T720 PolarHBondContact O-N 3.22Å; A716-T720 PolarHBondContact O-OG1 3.42Å; V717-T720 WeakPolarHBondContact O-CB 3.41Å; V717-T720 PolarHBondContact O-N 2.87Å; L718-T720 VanDerWaalsContact C-N 3.3Å; L718-T720 PolarHBondContact O-N 2.82Å; T720-R722 PolarHBondContact O-N 3.36Å; T720-Q723 PolarHBondContact O-N 2.81Å; T720-L724 HydrophobicContact CG2-CD1 4.22Å; T720-L724 HydrophobicContact CG2-CG 4.49Å; T720-L724 VanDerWaalsContact O-CG 3.31Å; T720-L724 WeakPolarHBondContact O-CG 3.14Å; T720-L724 PolarHBondContact O-N 2.89Å; T720-A1070 PolarHBondContact OG1-O 2.93Å; T720-A1070 VanDerWaalsContact OG1-O 3.06Å; T720-R1073 HydrophobicContact CG2-CB 4.45Å; T720-R1073 VanDerWaalsContact CG2-CD 3.43Å; T720-I1101 HydrophobicContact CG2-CD1 3.76Å; T720-I1101 HydrophobicContact CG2-CG1 3.82Å; T720-I1101 HydrophobicContact CG2-CG2 4.07Å |
| 721 | I | 91.9 | Very high | 85.2 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.2 | -45.2 | 179 | -60.8 | 162.4 | 0 | 0 | 0 | 110.4 | L509 F513 V717 L718 Q723 L724 M725 I1097 | L509-I721 HydrophobicContact CB-CG2 4.34Å; L509-I721 HydrophobicContact CD2-CG2 4.35Å; F513-I721 HydrophobicContact CB-CG2 3.75Å; F513-I721 HydrophobicContact CD2-CB 4.07Å; F513-I721 HydrophobicContact CD2-CG2 3.96Å; F513-I721 HydrophobicContact CG-CG2 4.33Å; V717-I721 HydrophobicContact CG1-CD1 4.01Å; V717-I721 VanDerWaalsContact O-CG1 3.31Å; V717-I721 WeakPolarHBondContact O-CG1 3.22Å; V717-I721 PolarHBondContact O-N 2.97Å; L718-I721 PolarHBondContact O-N 3.43Å; I721-Q723 VanDerWaalsContact C-N 3.32Å; I721-Q723 PolarHBondContact O-N 3.03Å; I721-L724 WeakPolarHBondContact O-CB 3.46Å; I721-L724 PolarHBondContact O-N 2.95Å; I721-L724 VanDerWaalsContact O-N 3.11Å; I721-M725 HydrophobicContact CG2-SD 4.23Å; I721-M725 VanDerWaalsContact O-CG 3.32Å; I721-M725 WeakPolarHBondContact O-CG 3.49Å; I721-M725 PolarHBondContact O-N 3.14Å; I721-I1097 HydrophobicContact CD1-CD1 4.45Å; I721-I1097 HydrophobicContact CD1-CG1 3.65Å; I721-I1097 HydrophobicContact CG1-CD1 4.06Å; I721-I1097 HydrophobicContact CG1-CG1 3.65Å |
| 722 | R | 92.6 | Very high | 86 | Confident | 46 Ų | 46 | 27.6 Ų | 27.6 | 17% | 0.174 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -58 | -43.1 | 175.8 | 179 | 168.8 | 64.7 | 170.1 | 3.1 | 111.7 | I464 F513 L718 D719 T720 M725 N726 | I464-R722 HydrophobicContact CG2-CB 4.46Å; I464-R722 HydrophobicContact CG2-CG 4.03Å; F513-R722 HydrophobicContact CE2-CB 4.3Å; L718-R722 WeakPolarHBondContact O-CB 3.47Å; L718-R722 PolarHBondContact O-N 3.36Å; D719-R722 PolarHBondContact O-N 3.43Å; D719-R722 IonicContact OD1-CZ 3.28Å; D719-R722 IonicContact OD1-NE 3.41Å; D719-R722 IonicContact OD1-NH2 2.86Å; D719-R722 PolarHBondContact OD1-NH2 2.84Å; T720-R722 PolarHBondContact O-N 3.36Å; R722-M725 PolarHBondContact O-N 2.88Å; R722-N726 PolarHBondContact O-N 2.72Å; R722-N726 VanDerWaalsContact O-N 3.16Å; R722-N726 PolarHBondContact O-ND2 3.05Å |
| 723 | Q | 88.9 | Confident | 86.3 | Confident | 61 Ų | 61 | 33.8 Ų | 33.8 | 29% | 0.285 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -64.6 | -38.8 | 175 | -72.4 | 168.6 | 28.6 | 0 | 0 | 112.6 | D719 T720 I721 M725 N726 S727 | D719-Q723 WeakPolarHBondContact O-CB 3.38Å; D719-Q723 VanDerWaalsContact O-CG 3.23Å; D719-Q723 WeakPolarHBondContact O-CG 3.39Å; D719-Q723 PolarHBondContact O-N 2.82Å; T720-Q723 PolarHBondContact O-N 2.81Å; I721-Q723 VanDerWaalsContact C-N 3.32Å; I721-Q723 PolarHBondContact O-N 3.03Å; Q723-M725 VanDerWaalsContact C-N 3.25Å; Q723-M725 PolarHBondContact O-N 2.8Å; Q723-N726 PolarHBondContact O-N 3.16Å; Q723-S727 PolarHBondContact O-N 3.1Å; Q723-S727 VanDerWaalsContact O-N 3.09Å; Q723-S727 PolarHBondContact O-OG 2.76Å |
| 724 | L | 89.3 | Confident | 86.8 | Confident | 2 Ų | 2 | 34.5 Ų | 34.5 | 1% | 0.01 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.5 | -33.9 | 174.7 | -70.7 | 177.7 | 0 | 0 | 0 | 112.2 | L509 T720 I721 S727 R1073 I1101 L1104 | L509-L724 HydrophobicContact CD1-CB 4Å; L509-L724 HydrophobicContact CD2-CB 4.35Å; L509-L724 HydrophobicContact CD2-CD1 4.3Å; T720-L724 HydrophobicContact CG2-CD1 4.22Å; T720-L724 HydrophobicContact CG2-CG 4.49Å; T720-L724 VanDerWaalsContact O-CG 3.31Å; T720-L724 WeakPolarHBondContact O-CG 3.14Å; T720-L724 PolarHBondContact O-N 2.89Å; I721-L724 WeakPolarHBondContact O-CB 3.46Å; I721-L724 PolarHBondContact O-N 2.95Å; I721-L724 VanDerWaalsContact O-N 3.11Å; L724-S727 WeakPolarHBondContact CA-OG 3.5Å; L724-S727 VanDerWaalsContact O-O 3.06Å; L724-S727 PolarHBondContact O-OG 3.09Å; L724-R1073 VanDerWaalsContact CD2-CZ 3.42Å; L724-R1073 VanDerWaalsContact CD2-NH2 3.32Å; L724-I1101 HydrophobicContact CD1-CG1 4.28Å; L724-L1104 HydrophobicContact CD1-CD1 3.94Å; L724-L1104 HydrophobicContact CD2-CB 3.79Å; L724-L1104 HydrophobicContact CD2-CD1 3.54Å; L724-L1104 HydrophobicContact CD2-CG 4.31Å; L724-L1104 HydrophobicContact CG-CD1 4.31Å |
| 725 | M | 88.4 | Confident | 87 | Confident | 14 Ų | 14 | 34.1 Ų | 34.1 | 7% | 0.069 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -73.4 | -27.5 | 175.5 | -63.8 | 177.2 | 73.1 | 0 | 0 | 113 | L461 I464 Y506 L509 L510 I721 R722 Q723 | L461-M725 HydrophobicContact CD1-CB 4Å; L461-M725 WeakPolarHBondContact CD1-O 3.48Å; I464-M725 HydrophobicContact CD1-CE 3.2Å; I464-M725 HydrophobicContact CD1-SD 3.95Å; Y506-M725 HydrophobicContact CD1-CE 4.39Å; Y506-M725 HydrophobicContact CD2-CE 3.8Å; Y506-M725 HydrophobicContact CE1-CE 3.86Å; Y506-M725 HydrophobicContact CE2-CB 4.28Å; Y506-M725 HydrophobicContact CE2-CE 3.22Å; Y506-M725 HydrophobicContact CG-CE 4.35Å; Y506-M725 WeakPolarHBondContact OH-CE 3.37Å; L509-M725 HydrophobicContact CB-CG 3.69Å; L509-M725 HydrophobicContact CB-SD 4.11Å; L509-M725 HydrophobicContact CD1-CG 3.81Å; L509-M725 HydrophobicContact CG-CG 4.37Å; L510-M725 HydrophobicContact CB-CE 3.92Å; L510-M725 HydrophobicContact CD1-CE 4.24Å; I721-M725 HydrophobicContact CG2-SD 4.23Å; I721-M725 VanDerWaalsContact O-CG 3.32Å; I721-M725 WeakPolarHBondContact O-CG 3.49Å; I721-M725 PolarHBondContact O-N 3.14Å; R722-M725 PolarHBondContact O-N 2.88Å; Q723-M725 VanDerWaalsContact C-N 3.25Å; Q723-M725 PolarHBondContact O-N 2.8Å |
| 726 | N | 85.7 | Confident | 87 | Confident | 75 Ų | 75 | 35.3 Ų | 35.3 | 40% | 0.401 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -82.6 | -16.3 | 175.8 | -78.2 | -78.7 | 0 | 0 | 0 | 113.7 | L461 N465 R722 Q723 | L461-N726 HydrophobicContact CD1-CB 4.42Å; L461-N726 WeakPolarHBondContact CD1-OD1 2.99Å; N465-N726 PolarHBondContact ND2-OD1 3.08Å; N465-N726 PolarHBondContact OD1-ND2 2.91Å; N465-N726 PolarHBondContact OD1-OD1 3.3Å; R722-N726 PolarHBondContact O-N 2.72Å; R722-N726 VanDerWaalsContact O-N 3.16Å; R722-N726 PolarHBondContact O-ND2 3.05Å; Q723-N726 PolarHBondContact O-N 3.16Å |
| 727 | S | 80.6 | Confident | 87.3 | Confident | 52 Ų | 52 | 38.2 Ų | 38.2 | 36% | 0.364 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -104.2 | 158 | -179.9 | 49.1 | 0 | 0 | 0 | 0 | 110.5 | Q723 L724 C729 | Q723-S727 PolarHBondContact O-N 3.1Å; Q723-S727 VanDerWaalsContact O-N 3.09Å; Q723-S727 PolarHBondContact O-OG 2.76Å; L724-S727 WeakPolarHBondContact CA-OG 3.5Å; L724-S727 VanDerWaalsContact O-O 3.06Å; L724-S727 PolarHBondContact O-OG 3.09Å; S727-C729 PolarHBondContact O-N 3.33Å |
| 728 | S | 71.9 | Confident | 87.4 | Confident | 94 Ų | 94 | 38.4 Ų | 38.4 | 66% | 0.657 | 21% | 0.209 | S | C | * | . | trans | -63.8 | 103.7 | 166.6 | 53.8 | 0 | 0 | 0 | 0 | 107.7 | V730 | S728-V730 WeakPolarHBondContact O-CG2 3.15Å; S728-V730 PolarHBondContact O-N 3.4Å | ||
| 729 | C | 72.3 | Confident | 87.4 | Confident | 28 Ų | 28 | 38.5 Ų | 38.5 | 19% | 0.189 | 21% | 0.209 | C | C | . | . | trans | -69.6 | 81.9 | 175.1 | -179.9 | 0 | 0 | 0 | 0 | 109.4 | S727 V731 | S727-C729 PolarHBondContact O-N 3.33Å; C729-V731 PolarHBondContact O-N 3.47Å | ||
| 730 | V | 76.7 | Confident | 87.4 | Confident | 37 Ų | 37 | 37.6 Ų | 37.6 | 22% | 0.224 | 20% | 0.204 | C | C | . | . | trans | -90.3 | 91.6 | -177.7 | -173.4 | 0 | 0 | 0 | 0 | 109.9 | S728 T1108 N1113 | S728-V730 WeakPolarHBondContact O-CG2 3.15Å; S728-V730 PolarHBondContact O-N 3.4Å; V730-T1108 HydrophobicContact CB-CG2 3.44Å; V730-T1108 VanDerWaalsContact CB-CG2 3.44Å; V730-T1108 HydrophobicContact CG1-CG2 3.64Å; V730-T1108 HydrophobicContact CG2-CG2 3.87Å; V730-N1113 PolarHBondContact O-ND2 3.14Å | ||
| 731 | V | 87.8 | Confident | 87.4 | Confident | 4 Ų | 4 | 37.8 Ų | 37.8 | 2% | 0.024 | 21% | 0.208 | C | C | . | . | trans | -80.8 | 154.8 | 161.6 | -66.8 | 0 | 0 | 0 | 0 | 109.6 | M505 C729 H736 L739 F1100 L1104 | M505-V731 HydrophobicContact CE-CG2 4.09Å; C729-V731 PolarHBondContact O-N 3.47Å; V731-H736 HydrophobicContact CG2-CB 3.87Å; V731-L739 HydrophobicContact CB-CD1 4.47Å; V731-L739 HydrophobicContact CG1-CD1 4.12Å; V731-F1100 HydrophobicContact CG1-CE2 3.73Å; V731-F1100 HydrophobicContact CG1-CZ 3.84Å; V731-L1104 HydrophobicContact CG1-CD2 4.23Å | ||
| 732 | P | 89.2 | Confident | 87.1 | Confident | 8 Ų | 8 | 39.6 Ų | 39.6 | 5% | 0.052 | 22% | 0.215 | C | C | . | . | trans | -57.5 | 141 | 174.4 | -21.9 | 32.1 | 0 | 0 | 0 | 112.3 | W734 L735 H736 N1113 L1115 | P732-W734 HydrophobicContact CB-CD2 4.06Å; P732-W734 VanDerWaalsContact CB-CE2 3.43Å; P732-W734 HydrophobicContact CB-CG 4.2Å; P732-W734 HydrophobicContact CB-CZ2 3.83Å; P732-W734 HydrophobicContact CG-CZ2 3.84Å; P732-W734 PolarHBondContact O-N 3.5Å; P732-L735 HydrophobicContact CB-CB 4.45Å; P732-L735 WeakPolarHBondContact O-CA 3.42Å; P732-L735 WeakPolarHBondContact O-CB 3.41Å; P732-L735 PolarHBondContact O-N 3.2Å; P732-H736 PolarHBondContact O-N 2.8Å; P732-H736 VanDerWaalsContact O-N 3.11Å; P732-N1113 HydrophobicContact CG-CB 4.07Å; P732-L1115 HydrophobicContact CG-CB 4.13Å; P732-L1115 HydrophobicContact CG-CD2 4.2Å | ||
| 733 | D | 87.6 | Confident | 86.7 | Confident | 142 Ų | 142 | 40.7 Ų | 40.7 | 76% | 0.759 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -56.9 | -37.1 | -176.3 | -60.1 | -27.2 | 0 | 0 | 0 | 113.1 | L735 H736 | D733-L735 PolarHBondContact O-N 3.05Å; D733-L735 VanDerWaalsContact O-N 3.15Å; D733-H736 PolarHBondContact O-N 2.64Å |
| 734 | W | 91.1 | Very high | 86.4 | Confident | 56 Ų | 56 | 41.8 Ų | 41.8 | 21% | 0.212 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.3 | -15.2 | 177.3 | 56.7 | -100 | 0 | 0 | 0 | 113.4 | P732 A748 M753 L848 W1118 | P732-W734 HydrophobicContact CB-CD2 4.06Å; P732-W734 VanDerWaalsContact CB-CE2 3.43Å; P732-W734 HydrophobicContact CB-CG 4.2Å; P732-W734 HydrophobicContact CB-CZ2 3.83Å; P732-W734 HydrophobicContact CG-CZ2 3.84Å; P732-W734 PolarHBondContact O-N 3.5Å; W734-A748 HydrophobicContact CE3-CB 3.8Å; W734-A748 HydrophobicContact CZ3-CB 4.2Å; W734-A748 WeakPolarHBondContact O-CB 3.34Å; W734-M753 HydrophobicContact CB-CE 4.12Å; W734-M753 HydrophobicContact CB-SD 3.8Å; W734-M753 HydrophobicContact CD2-CE 3.99Å; W734-M753 HydrophobicContact CD2-SD 4.4Å; W734-M753 HydrophobicContact CG-CE 3.68Å; W734-M753 HydrophobicContact CG-SD 3.98Å; W734-L848 HydrophobicContact CZ3-CB 4.12Å; W734-W1118 HydrophobicContact CH2-CB 4.42Å |
| 735 | L | 93.5 | Very high | 86.3 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -107.3 | -27.7 | -177.5 | -170.9 | 56.3 | 0 | 0 | 0 | 113.2 | P732 D733 D737 V738 L739 L848 L1103 W1118 | P732-L735 HydrophobicContact CB-CB 4.45Å; P732-L735 WeakPolarHBondContact O-CA 3.42Å; P732-L735 WeakPolarHBondContact O-CB 3.41Å; P732-L735 PolarHBondContact O-N 3.2Å; D733-L735 PolarHBondContact O-N 3.05Å; D733-L735 VanDerWaalsContact O-N 3.15Å; L735-D737 PolarHBondContact O-N 3.39Å; L735-V738 PolarHBondContact O-N 2.89Å; L735-L739 HydrophobicContact CD1-CD1 4.49Å; L735-L739 HydrophobicContact CD1-CG 4.13Å; L735-L739 HydrophobicContact CD2-CD1 3.93Å; L735-L739 HydrophobicContact CD2-CG 4.44Å; L735-L739 HydrophobicContact CG-CD1 3.69Å; L735-L739 HydrophobicContact CG-CG 3.84Å; L735-L739 PolarHBondContact O-N 3.07Å; L735-L848 HydrophobicContact CD1-CD2 4.18Å; L735-L1103 HydrophobicContact CD2-CD1 4.03Å; L735-W1118 HydrophobicContact CD1-CE3 3.85Å; L735-W1118 HydrophobicContact CD1-CZ3 3.82Å; L735-W1118 HydrophobicContact CD2-CE3 3.49Å; L735-W1118 VanDerWaalsContact CD2-CE3 3.49Å; L735-W1118 HydrophobicContact CD2-CZ3 3.68Å; L735-W1118 HydrophobicContact CG-CE3 4.29Å; L735-W1118 HydrophobicContact CG-CZ3 4.24Å |
| 736 | H | 92 | Very high | 86.4 | Confident | 65 Ų | 65 | 44.5 Ų | 44.5 | 30% | 0.301 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -51.1 | -56.5 | -170.7 | 179.2 | -88.9 | 0 | 0 | 0 | 113.3 | M505 V731 P732 D733 V738 L739 L740 | M505-H736 VanDerWaalsContact CE-O 3.28Å; M505-H736 WeakPolarHBondContact CE-O 3.38Å; V731-H736 HydrophobicContact CG2-CB 3.87Å; P732-H736 PolarHBondContact O-N 2.8Å; P732-H736 VanDerWaalsContact O-N 3.11Å; D733-H736 PolarHBondContact O-N 2.64Å; H736-V738 PolarHBondContact O-N 3.09Å; H736-L739 PolarHBondContact O-N 3.33Å; H736-L740 WeakPolarHBondContact CE1-CD1 3.32Å; H736-L740 PolarHBondContact O-N 2.95Å; H736-L740 VanDerWaalsContact O-N 3.1Å |
| 737 | D | 90.3 | Very high | 86.6 | Confident | 84 Ų | 84 | 43 Ų | 43 | 45% | 0.449 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -69.8 | -35.9 | -175.9 | -71.4 | -6 | 0 | 0 | 0 | 112.2 | L735 L739 L740 G741 Y742 | L735-D737 PolarHBondContact O-N 3.39Å; D737-L739 VanDerWaalsContact C-N 3.29Å; D737-L739 PolarHBondContact O-N 2.64Å; D737-L740 CarbonylContact O-C 3.53Å; D737-L740 PolarHBondContact O-N 2.7Å; D737-L740 VanDerWaalsContact O-N 3.12Å; D737-G741 PolarHBondContact O-N 3.34Å; D737-Y742 CarbonylContact C-O 3.57Å; D737-Y742 PolarHBondContact O-N 2.83Å |
| 738 | V | 91.3 | Very high | 87.3 | Confident | 6 Ų | 6 | 40.5 Ų | 40.5 | 4% | 0.036 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.5 | -41.7 | 175.7 | 178.5 | 0 | 0 | 0 | 0 | 110.4 | L735 H736 G741 A747 A748 L848 L1150 V1155 | L735-V738 PolarHBondContact O-N 2.89Å; H736-V738 PolarHBondContact O-N 3.09Å; V738-G741 PolarHBondContact O-N 3.01Å; V738-A747 HydrophobicContact CG2-CB 4.44Å; V738-A748 HydrophobicContact CG2-CB 4.01Å; V738-L848 HydrophobicContact CG1-CD2 4.34Å; V738-L1150 HydrophobicContact CG1-CD2 3.88Å; V738-V1155 HydrophobicContact CG1-CG2 3.79Å |
| 739 | L | 93 | Very high | 88.4 | Confident | 3 Ų | 3 | 37.3 Ų | 37.3 | 2% | 0.016 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -66.9 | -35.8 | 174.8 | -76 | 174.4 | 0 | 0 | 0 | 112.8 | M505 V731 L735 H736 D737 G741 F1100 W1118 L1146 R1149 | M505-L739 HydrophobicContact CE-CB 3.63Å; M505-L739 HydrophobicContact CE-CD1 4.15Å; V731-L739 HydrophobicContact CB-CD1 4.47Å; V731-L739 HydrophobicContact CG1-CD1 4.12Å; L735-L739 HydrophobicContact CD1-CD1 4.49Å; L735-L739 HydrophobicContact CD1-CG 4.13Å; L735-L739 HydrophobicContact CD2-CD1 3.93Å; L735-L739 HydrophobicContact CD2-CG 4.44Å; L735-L739 HydrophobicContact CG-CD1 3.69Å; L735-L739 HydrophobicContact CG-CG 3.84Å; L735-L739 PolarHBondContact O-N 3.07Å; H736-L739 PolarHBondContact O-N 3.33Å; D737-L739 VanDerWaalsContact C-N 3.29Å; D737-L739 PolarHBondContact O-N 2.64Å; L739-G741 PolarHBondContact O-N 3.16Å; L739-F1100 HydrophobicContact CD1-CD2 4.31Å; L739-F1100 HydrophobicContact CD1-CE2 3.81Å; L739-W1118 HydrophobicContact CD2-CH2 4.09Å; L739-W1118 HydrophobicContact CD2-CZ3 3.98Å; L739-L1146 HydrophobicContact CD2-CD1 4.02Å; L739-L1146 HydrophobicContact CD2-CD2 4.07Å; L739-R1149 PolarHBondContact O-NH1 3.09Å; L739-R1149 PolarHBondContact O-NH2 3.34Å |
| 740 | L | 92.2 | Very high | 89.4 | Confident | 6 Ų | 6 | 36.6 Ų | 36.6 | 3% | 0.031 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -76.9 | -7.2 | 174.1 | -62.7 | -176.1 | 0 | 0 | 0 | 113.5 | Q501 F502 T504 M505 H736 D737 Y742 | Q501-L740 VanDerWaalsContact CA-O 3.22Å; Q501-L740 WeakPolarHBondContact CA-O 3.45Å; F502-L740 HydrophobicContact CB-CD2 4.19Å; F502-L740 PolarHBondContact N-O 3.43Å; F502-L740 VanDerWaalsContact N-O 3.12Å; T504-L740 VanDerWaalsContact C-CD2 3.45Å; M505-L740 HydrophobicContact CE-CD1 4.35Å; M505-L740 HydrophobicContact CE-CD2 3.58Å; M505-L740 HydrophobicContact CE-CG 3.59Å; M505-L740 HydrophobicContact CG-CD2 4.23Å; M505-L740 HydrophobicContact SD-CD2 3.82Å; M505-L740 HydrophobicContact SD-CG 4.46Å; H736-L740 WeakPolarHBondContact CE1-CD1 3.32Å; H736-L740 PolarHBondContact O-N 2.95Å; H736-L740 VanDerWaalsContact O-N 3.1Å; D737-L740 CarbonylContact O-C 3.53Å; D737-L740 PolarHBondContact O-N 2.7Å; D737-L740 VanDerWaalsContact O-N 3.12Å; L740-Y742 HydrophobicContact CB-CD2 3.46Å; L740-Y742 VanDerWaalsContact CB-CD2 3.46Å; L740-Y742 HydrophobicContact CB-CE2 3.71Å; L740-Y742 HydrophobicContact CB-CG 4.3Å; L740-Y742 HydrophobicContact CD1-CD2 4.15Å; L740-Y742 HydrophobicContact CD1-CE2 4.18Å; L740-Y742 HydrophobicContact CG-CD2 4.46Å |
| 741 | G | 89.6 | Confident | 90.1 | Very high | 11 Ų | 11 | 37.9 Ų | 37.9 | 11% | 0.113 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.9 | 24 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q501 D737 V738 L739 | Q501-G741 WeakPolarHBondContact CG-O 3.35Å; Q501-G741 PolarHBondContact NE2-O 3.32Å; D737-G741 PolarHBondContact O-N 3.34Å; V738-G741 PolarHBondContact O-N 3.01Å; L739-G741 PolarHBondContact O-N 3.16Å |
| 742 | Y | 86.1 | Confident | 90.2 | Very high | 38 Ų | 38 | 44 Ų | 44 | 15% | 0.149 | 25% | 0.252 | C | S | . | . | trans | -108.5 | 162.1 | 178.5 | -58.7 | -43.7 | 0 | 0 | 0 | 111.7 | L271 Q501 F502 D737 L740 | L271-Y742 HydrophobicContact CB-CE1 4.12Å; L271-Y742 WeakPolarHBondContact CB-OH 3.35Å; L271-Y742 HydrophobicContact CD2-CE1 4.35Å; L271-Y742 HydrophobicContact CD2-CE2 4.04Å; Q501-Y742 HydrophobicContact CB-CE1 4.14Å; Q501-Y742 VanDerWaalsContact CD-CE1 3.47Å; Q501-Y742 HydrophobicContact CG-CD1 4.02Å; Q501-Y742 HydrophobicContact CG-CE1 3.72Å; F502-Y742 WeakPolarHBondContact O-CE2 3.49Å; F502-Y742 VanDerWaalsContact O-CZ 3.26Å; F502-Y742 PolarHBondContact O-OH 3.1Å; D737-Y742 CarbonylContact C-O 3.57Å; D737-Y742 PolarHBondContact O-N 2.83Å; L740-Y742 HydrophobicContact CB-CD2 3.46Å; L740-Y742 VanDerWaalsContact CB-CD2 3.46Å; L740-Y742 HydrophobicContact CB-CE2 3.71Å; L740-Y742 HydrophobicContact CB-CG 4.3Å; L740-Y742 HydrophobicContact CD1-CD2 4.15Å; L740-Y742 HydrophobicContact CD1-CE2 4.18Å; L740-Y742 HydrophobicContact CG-CD2 4.46Å | ||
| 743 | G | 82.4 | Confident | 90.2 | Very high | 68 Ų | 68 | 45 Ų | 45 | 70% | 0.701 | 26% | 0.256 | S | S | * | . | S | Bend | trans | 75.2 | -158.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 744 | D | 84 | Confident | 89.9 | Confident | 85 Ų | 85 | 44.1 Ų | 44.1 | 46% | 0.455 | 26% | 0.261 | S | S | . | . | trans | -83.1 | 119.2 | 175.9 | -179.4 | -6.8 | 0 | 0 | 0 | 109.4 | T746 A747 | D744-T746 PolarHBondContact O-N 3.35Å; D744-T746 WeakPolarHBondContact OD1-CB 3.43Å; D744-T746 WeakPolarHBondContact OD1-CG2 3.46Å; D744-T746 PolarHBondContact OD1-N 2.95Å; D744-T746 PolarHBondContact OD1-OG1 3.43Å; D744-T746 PolarHBondContact OD2-OG1 3.26Å; D744-A747 HydrophobicContact CB-CB 4.48Å; D744-A747 WeakPolarHBondContact O-CB 3.35Å; D744-A747 PolarHBondContact O-N 2.69Å | ||
| 745 | P | 86.5 | Confident | 89.3 | Confident | 33 Ų | 33 | 48.8 Ų | 48.8 | 21% | 0.214 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -19.7 | 177.1 | -23.8 | 33.9 | 0 | 0 | 0 | 114.1 | A747 L1153 V1155 P1156 | P745-A747 VanDerWaalsContact C-N 3.35Å; P745-L1153 VanDerWaalsContact CB-O 3.26Å; P745-L1153 WeakPolarHBondContact CB-O 3.4Å; P745-L1153 WeakPolarHBondContact CG-O 3.38Å; P745-V1155 HydrophobicContact CB-CG2 4.29Å; P745-P1156 WeakPolarHBondContact O-CD 3.13Å |
| 746 | T | 90.3 | Very high | 88.7 | Confident | 39 Ų | 39 | 52.4 Ų | 52.4 | 24% | 0.239 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -6.3 | 177.4 | 78 | 0 | 0 | 0 | 0 | 113.6 | D744 A748 H749 K752 P1156 | D744-T746 PolarHBondContact O-N 3.35Å; D744-T746 WeakPolarHBondContact OD1-CB 3.43Å; D744-T746 WeakPolarHBondContact OD1-CG2 3.46Å; D744-T746 PolarHBondContact OD1-N 2.95Å; D744-T746 PolarHBondContact OD1-OG1 3.43Å; D744-T746 PolarHBondContact OD2-OG1 3.26Å; T746-A748 VanDerWaalsContact C-N 3.26Å; T746-A748 PolarHBondContact O-N 2.72Å; T746-H749 VanDerWaalsContact O-CB 3.3Å; T746-H749 WeakPolarHBondContact O-CB 3.46Å; T746-H749 PolarHBondContact O-N 3.32Å; T746-K752 WeakPolarHBondContact O-CG 3.32Å; T746-P1156 HydrophobicContact CG2-CG 3.62Å |
| 747 | A | 90.9 | Very high | 88.2 | Confident | 43 Ų | 43 | 53 Ų | 53 | 36% | 0.355 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -33.2 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | V738 D744 P745 | V738-A747 HydrophobicContact CG2-CB 4.44Å; D744-A747 HydrophobicContact CB-CB 4.48Å; D744-A747 WeakPolarHBondContact O-CB 3.35Å; D744-A747 PolarHBondContact O-N 2.69Å; P745-A747 VanDerWaalsContact C-N 3.35Å |
| 748 | A | 93.7 | Very high | 87.9 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86 | -7.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | W734 V738 T746 G847 L848 | W734-A748 HydrophobicContact CE3-CB 3.8Å; W734-A748 HydrophobicContact CZ3-CB 4.2Å; W734-A748 WeakPolarHBondContact O-CB 3.34Å; V738-A748 HydrophobicContact CG2-CB 4.01Å; T746-A748 VanDerWaalsContact C-N 3.26Å; T746-A748 PolarHBondContact O-N 2.72Å; A748-G847 CarbonylContact O-C 3.58Å; A748-G847 WeakPolarHBondContact O-CA 3.31Å; A748-L848 HydrophobicContact CB-CB 3.71Å; A748-L848 HydrophobicContact CB-CD2 4.27Å; A748-L848 PolarHBondContact O-N 2.97Å |
| 749 | H | 95.2 | Very high | 87.9 | Confident | 27 Ų | 27 | 54.9 Ų | 54.9 | 13% | 0.125 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -76.9 | 144.9 | -179.1 | -174.7 | -98.5 | 0 | 0 | 0 | 110.6 | T746 S751 K752 M753 P1156 | T746-H749 VanDerWaalsContact O-CB 3.3Å; T746-H749 WeakPolarHBondContact O-CB 3.46Å; T746-H749 PolarHBondContact O-N 3.32Å; H749-S751 PolarHBondContact ND1-N 3.46Å; H749-S751 PolarHBondContact ND1-OG 3.3Å; H749-S751 PolarHBondContact O-N 2.84Å; H749-K752 PolarHBondContact O-N 2.94Å; H749-M753 WeakPolarHBondContact O-CG 3.25Å; H749-M753 PolarHBondContact O-N 3.41Å; H749-P1156 HydrophobicContact CB-CB 4.37Å; H749-P1156 HydrophobicContact CB-CG 4.04Å |
| 750 | Y | 94 | Very high | 87.9 | Confident | 13 Ų | 13 | 54.9 Ų | 54.9 | 5% | 0.051 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -54.8 | -31.3 | -173.9 | 73.1 | -97.4 | 0 | 0 | 0 | 114.3 | K752 M753 Q756 E838 Q845 P846 | Y750-K752 PolarHBondContact O-N 3.41Å; Y750-K752 VanDerWaalsContact O-N 3.14Å; Y750-M753 PolarHBondContact O-N 2.91Å; Y750-Q756 HydrophobicContact CD2-CG 4.33Å; Y750-E838 PolarHBondContact OH-OE1 2.89Å; Y750-Q845 HydrophobicContact CD1-CB 4.17Å; Y750-Q845 HydrophobicContact CD1-CG 4.37Å; Y750-Q845 HydrophobicContact CD2-CB 4.25Å; Y750-Q845 HydrophobicContact CD2-CG 3.95Å; Y750-Q845 HydrophobicContact CG-CB 3.7Å; Y750-Q845 HydrophobicContact CG-CG 3.88Å; Y750-P846 WeakPolarHBondContact CB-O 3.46Å |
| 751 | S | 90.7 | Very high | 88.1 | Confident | 64 Ų | 64 | 56 Ų | 56 | 45% | 0.448 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -66.8 | -9.8 | 178 | 65.9 | 0 | 0 | 0 | 0 | 114.6 | H749 | H749-S751 PolarHBondContact ND1-N 3.46Å; H749-S751 PolarHBondContact ND1-OG 3.3Å; H749-S751 PolarHBondContact O-N 2.84Å |
| 752 | K | 90 | Very high | 88.4 | Confident | 133 Ų | 133 | 55.5 Ų | 55.5 | 58% | 0.578 | 32% | 0.324 | S | S | * | . | G | 310 helix | trans | -111.8 | -4.7 | 173.4 | -62.1 | -58.9 | -173.9 | -178.2 | 0 | 112.9 | T746 H749 Y750 | T746-K752 WeakPolarHBondContact O-CG 3.32Å; H749-K752 PolarHBondContact O-N 2.94Å; Y750-K752 PolarHBondContact O-N 3.41Å; Y750-K752 VanDerWaalsContact O-N 3.14Å |
| 753 | M | 89.4 | Confident | 88.7 | Confident | 29 Ų | 29 | 53.7 Ų | 53.7 | 14% | 0.143 | 32% | 0.317 | C | S | . | . | trans | -82.9 | 134.6 | -177.4 | -66.8 | -69.3 | -75.9 | 0 | 0 | 110.9 | W734 H749 Y750 K755 Q756 P846 | W734-M753 HydrophobicContact CB-CE 4.12Å; W734-M753 HydrophobicContact CB-SD 3.8Å; W734-M753 HydrophobicContact CD2-CE 3.99Å; W734-M753 HydrophobicContact CD2-SD 4.4Å; W734-M753 HydrophobicContact CG-CE 3.68Å; W734-M753 HydrophobicContact CG-SD 3.98Å; H749-M753 WeakPolarHBondContact O-CG 3.25Å; H749-M753 PolarHBondContact O-N 3.41Å; Y750-M753 PolarHBondContact O-N 2.91Å; M753-K755 PolarHBondContact O-N 3.1Å; M753-Q756 PolarHBondContact O-N 3.33Å; M753-P846 HydrophobicContact CE-CB 4.41Å | ||
| 754 | S | 81 | Confident | 89.2 | Confident | 123 Ų | 123 | 50.7 Ų | 50.7 | 86% | 0.86 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -18.7 | -179.5 | 56 | 0 | 0 | 0 | 0 | 114.6 | ||
| 755 | K | 78.6 | Confident | 89.8 | Confident | 155 Ų | 155 | 46.6 Ų | 46.6 | 67% | 0.674 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105 | 25.4 | -177.1 | -63.5 | -176.2 | 179.3 | 177.8 | 0 | 113.6 | M753 Q757 P846 | M753-K755 PolarHBondContact O-N 3.1Å; K755-Q757 PolarHBondContact O-N 2.69Å; K755-Q757 PolarHBondContact O-NE2 2.77Å; K755-Q757 VanDerWaalsContact O-NE2 3.14Å; K755-P846 HydrophobicContact CB-CG 4.33Å; K755-P846 WeakPolarHBondContact O-CG 3.42Å |
| 756 | Q | 81.1 | Confident | 90.3 | Very high | 76 Ų | 76 | 45.1 Ų | 45.1 | 36% | 0.355 | 25% | 0.253 | S | S | . | . | trans | -55.3 | 132.4 | 175.4 | -175.7 | -178.7 | -0.5 | 0 | 0 | 110.5 | Y750 M753 | Y750-Q756 HydrophobicContact CD2-CG 4.33Å; M753-Q756 PolarHBondContact O-N 3.33Å | ||
| 757 | Q | 82.6 | Confident | 90.4 | Very high | 76 Ų | 76 | 46 Ų | 46 | 36% | 0.355 | 26% | 0.259 | S | S | . | . | trans | -84 | 122.1 | 175 | -56.2 | -63.3 | -68.7 | 0 | 0 | 108.9 | K755 L760 Q845 W874 | K755-Q757 PolarHBondContact O-N 2.69Å; K755-Q757 PolarHBondContact O-NE2 2.77Å; K755-Q757 VanDerWaalsContact O-NE2 3.14Å; Q757-L760 HydrophobicContact CB-CD2 3.65Å; Q757-L760 HydrophobicContact CB-CG 4.45Å; Q757-L760 HydrophobicContact CG-CD2 4.31Å; Q757-Q845 PolarHBondContact O-NE2 3.46Å; Q757-W874 HydrophobicContact CG-CZ2 4.19Å | ||
| 758 | A | 82.5 | Confident | 90.5 | Very high | 59 Ų | 59 | 45.9 Ų | 45.9 | 49% | 0.488 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -72.3 | -48.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | I799 | A758-I799 PolarHBondContact O-N 2.95Å; A758-I799 VanDerWaalsContact O-N 3.13Å |
| 759 | T | 91.7 | Very high | 90.5 | Very high | 71 Ų | 71 | 47.3 Ų | 47.3 | 44% | 0.436 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 128 | 174.3 | -44.3 | 0 | 0 | 0 | 0 | 110.3 | L797 D798 | T759-L797 CarbonylContact C-O 3.56Å; T759-L797 WeakPolarHBondContact CA-O 3.36Å; T759-D798 HydrophobicContact CG2-CB 4.44Å; T759-D798 PolarHBondContact OG1-OD1 3.07Å |
| 760 | L | 93.3 | Very high | 90.4 | Very high | 3 Ų | 3 | 50.2 Ų | 50.2 | 2% | 0.016 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 131.5 | 177 | -67.4 | 172.6 | 0 | 0 | 0 | 109.5 | Q757 F762 K796 L797 R841 M844 Q845 | Q757-L760 HydrophobicContact CB-CD2 3.65Å; Q757-L760 HydrophobicContact CB-CG 4.45Å; Q757-L760 HydrophobicContact CG-CD2 4.31Å; L760-F762 HydrophobicContact CB-CD2 4.02Å; L760-F762 HydrophobicContact CB-CE2 3.66Å; L760-F762 HydrophobicContact CB-CZ 4.5Å; L760-F762 HydrophobicContact CD1-CE2 4.03Å; L760-F762 HydrophobicContact CD1-CZ 4.16Å; L760-F762 PolarHBondContact O-N 3.22Å; L760-K796 WeakPolarHBondContact O-CA 3.43Å; L760-L797 PolarHBondContact N-O 3.19Å; L760-L797 PolarHBondContact O-N 2.9Å; L760-R841 HydrophobicContact CD1-CG 3.73Å; L760-M844 HydrophobicContact CB-CE 4.21Å; L760-M844 HydrophobicContact CD2-CE 4.4Å; L760-Q845 HydrophobicContact CD1-CG 4.48Å |
| 761 | D | 95.8 | Very high | 90.4 | Very high | 30 Ų | 30 | 49.7 Ų | 49.7 | 16% | 0.16 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 109.4 | 169.9 | -168.1 | -13.2 | 0 | 0 | 0 | 109.3 | D763 K796 Y812 M844 N873 | D761-D763 PolarHBondContact OD1-N 3.3Å; D761-K796 HydrophobicContact CB-CD 4.45Å; D761-K796 HydrophobicContact CB-CG 3.73Å; D761-K796 WeakPolarHBondContact OD2-CE 3.48Å; D761-K796 IonicContact OD2-NZ 2.97Å; D761-Y812 PolarHBondContact OD1-OH 2.93Å; D761-Y812 VanDerWaalsContact OD1-OH 3.04Å; D761-Y812 PolarHBondContact OD2-OH 3.48Å; D761-M844 WeakPolarHBondContact O-CE 3.43Å; D761-N873 WeakPolarHBondContact CB-OD1 3.47Å; D761-N873 PolarHBondContact O-ND2 3.32Å; D761-N873 PolarHBondContact O-OD1 3.2Å |
| 762 | F | 96 | Very high | 90.6 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 25% | 0.254 | C | S | . | . | trans | -86.2 | -0.8 | 179.6 | -82.1 | -96.7 | 0 | 0 | 0 | 112.3 | L760 D764 T765 F766 F795 L797 I799 V837 I840 R841 M844 | L760-F762 HydrophobicContact CB-CD2 4.02Å; L760-F762 HydrophobicContact CB-CE2 3.66Å; L760-F762 HydrophobicContact CB-CZ 4.5Å; L760-F762 HydrophobicContact CD1-CE2 4.03Å; L760-F762 HydrophobicContact CD1-CZ 4.16Å; L760-F762 PolarHBondContact O-N 3.22Å; F762-D764 PolarHBondContact O-N 2.98Å; F762-T765 HydrophobicContact CD1-CG2 4.19Å; F762-T765 WeakPolarHBondContact O-CB 3.42Å; F762-T765 PolarHBondContact O-N 3.38Å; F762-T765 PolarHBondContact O-OG1 3.13Å; F762-F766 HydrophobicContact CB-CD2 3.88Å; F762-F766 HydrophobicContact CB-CE2 3.58Å; F762-F766 AromaticContact CD1-CE2 3.65Å; F762-F766 HydrophobicContact CD1-CE2 3.65Å; F762-F766 HydrophobicContact CD1-CZ 4.06Å; F762-F766 HydrophobicContact CD2-CE2 4.15Å; F762-F766 HydrophobicContact CE1-CE2 4.33Å; F762-F766 HydrophobicContact CE1-CZ 4.35Å; F762-F766 HydrophobicContact CG-CD2 4.34Å; F762-F766 AromaticContact CG-CE2 3.53Å; F762-F766 HydrophobicContact CG-CE2 3.53Å; F762-F766 HydrophobicContact CG-CZ 4.33Å; F762-F795 PolarHBondContact N-O 3.27Å; F762-L797 HydrophobicContact CD2-CB 3.91Å; F762-L797 HydrophobicContact CD2-CD1 3.66Å; F762-L797 HydrophobicContact CD2-CG 3.62Å; F762-L797 HydrophobicContact CE2-CB 3.88Å; F762-L797 HydrophobicContact CE2-CD1 3.62Å; F762-L797 HydrophobicContact CE2-CG 3.92Å; F762-L797 HydrophobicContact CG-CD1 4.33Å; F762-L797 HydrophobicContact CG-CG 4.47Å; F762-L797 HydrophobicContact CZ-CD1 4.27Å; F762-I799 HydrophobicContact CE2-CD1 4.24Å; F762-I799 HydrophobicContact CZ-CD1 4.46Å; F762-V837 HydrophobicContact CE1-CG1 4.3Å; F762-I840 HydrophobicContact CD1-CG2 4.48Å; F762-I840 HydrophobicContact CE1-CG2 4.47Å; F762-R841 HydrophobicContact CE1-CB 4.15Å; F762-R841 HydrophobicContact CZ-CB 3.88Å; F762-R841 HydrophobicContact CZ-CG 4.05Å; F762-M844 HydrophobicContact CD1-SD 4.39Å; F762-M844 HydrophobicContact CE1-SD 4.41Å | ||
| 763 | D | 93.9 | Very high | 90.8 | Very high | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.6 | -122.9 | 178.1 | -167.1 | 31.5 | 0 | 0 | 0 | 111.4 | D761 P794 F795 R825 N868 H872 | D761-D763 PolarHBondContact OD1-N 3.3Å; D763-P794 WeakPolarHBondContact O-CA 3.39Å; D763-P794 VanDerWaalsContact O-CB 3.29Å; D763-P794 WeakPolarHBondContact O-CB 3.44Å; D763-F795 PolarHBondContact O-N 2.98Å; D763-R825 IonicContact OD1-CZ 3.54Å; D763-R825 IonicContact OD1-NH1 3.67Å; D763-R825 PolarHBondContact OD1-NH1 3.25Å; D763-R825 IonicContact OD1-NH2 3.3Å; D763-R825 PolarHBondContact OD1-NH2 3.41Å; D763-R825 IonicContact OD2-CZ 2.76Å; D763-R825 IonicContact OD2-NH1 3.07Å; D763-R825 IonicContact OD2-NH2 3.41Å; D763-R825 PolarHBondContact OD2-NH2 3.2Å; D763-N868 PolarHBondContact OD2-ND2 3.43Å; D763-H872 IonicContact OD2-CE1 2.75Å; D763-H872 IonicContact OD2-CG 2.86Å; D763-H872 IonicContact OD2-ND1 2.85Å |
| 764 | D | 92.8 | Very high | 91 | Very high | 4 Ų | 4 | 47.2 Ų | 47.2 | 2% | 0.021 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | 14.7 | 179.7 | 69.7 | -13.4 | 0 | 0 | 0 | 114.2 | F762 F766 F827 N828 Q865 N868 | F762-D764 PolarHBondContact O-N 2.98Å; D764-F766 PolarHBondContact O-N 2.98Å; D764-F827 HydrophobicContact CB-CD1 3.73Å; D764-F827 HydrophobicContact CB-CE1 4.43Å; D764-F827 WeakPolarHBondContact OD2-CA 3.34Å; D764-N828 HydrophobicContact CB-CB 4.36Å; D764-N828 PolarHBondContact O-ND2 3Å; D764-N828 WeakPolarHBondContact OD2-CB 3.49Å; D764-N828 PolarHBondContact OD2-N 3.03Å; D764-Q865 PolarHBondContact OD1-NE2 2.96Å; D764-N868 PolarHBondContact OD1-ND2 3.31Å |
| 765 | T | 96.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -56.5 | -35 | 177.5 | -57.4 | 0 | 0 | 0 | 0 | 111.2 | F762 F832 I840 Q865 N869 | F762-T765 HydrophobicContact CD1-CG2 4.19Å; F762-T765 WeakPolarHBondContact O-CB 3.42Å; F762-T765 PolarHBondContact O-N 3.38Å; F762-T765 PolarHBondContact O-OG1 3.13Å; T765-F832 HydrophobicContact CG2-CD2 3.88Å; T765-F832 HydrophobicContact CG2-CE2 4.36Å; T765-F832 WeakPolarHBondContact O-CD2 3.43Å; T765-I840 HydrophobicContact CG2-CD1 3.77Å; T765-I840 HydrophobicContact CG2-CG2 4.37Å; T765-Q865 HydrophobicContact CG2-CG 4.3Å; T765-Q865 PolarHBondContact OG1-NE2 3.01Å; T765-N869 PolarHBondContact OG1-ND2 3.31Å; T765-N869 PolarHBondContact OG1-OD1 2.86Å |
| 766 | F | 96.2 | Very high | 92.4 | Very high | 1 Ų | 1 | 35.2 Ų | 35.2 | 0% | 0.004 | 19% | 0.194 | C | C | . | . | trans | -102 | 125.8 | -179.8 | -58.9 | -76.9 | 0 | 0 | 0 | 112.5 | F762 D764 H771 V772 F776 P793 F795 L797 V837 | F762-F766 HydrophobicContact CB-CD2 3.88Å; F762-F766 HydrophobicContact CB-CE2 3.58Å; F762-F766 AromaticContact CD1-CE2 3.65Å; F762-F766 HydrophobicContact CD1-CE2 3.65Å; F762-F766 HydrophobicContact CD1-CZ 4.06Å; F762-F766 HydrophobicContact CD2-CE2 4.15Å; F762-F766 HydrophobicContact CE1-CE2 4.33Å; F762-F766 HydrophobicContact CE1-CZ 4.35Å; F762-F766 HydrophobicContact CG-CD2 4.34Å; F762-F766 AromaticContact CG-CE2 3.53Å; F762-F766 HydrophobicContact CG-CE2 3.53Å; F762-F766 HydrophobicContact CG-CZ 4.33Å; D764-F766 PolarHBondContact O-N 2.98Å; F766-H771 VanDerWaalsContact CA-ND1 3.32Å; F766-H771 WeakPolarHBondContact CA-ND1 3.31Å; F766-H771 HydrophobicContact CB-CB 4.46Å; F766-H771 HydrophobicContact CD1-CB 4.33Å; F766-H771 AromaticContact CD1-CE1 3.9Å; F766-H771 AromaticContact CD1-CG 3.92Å; F766-H771 AromaticContact CD1-ND1 3.66Å; F766-V772 HydrophobicContact CB-CG2 3.98Å; F766-V772 HydrophobicContact CD1-CB 4.44Å; F766-V772 HydrophobicContact CD1-CG2 3.77Å; F766-V772 HydrophobicContact CD2-CG2 3.87Å; F766-V772 HydrophobicContact CE1-CG2 4.23Å; F766-V772 HydrophobicContact CE2-CG2 4.3Å; F766-V772 HydrophobicContact CG-CG2 3.6Å; F766-V772 HydrophobicContact CZ-CG2 4.48Å; F766-F776 HydrophobicContact CE1-CE2 4.42Å; F766-F776 AromaticContact CZ-CE2 3.86Å; F766-F776 HydrophobicContact CZ-CE2 3.86Å; F766-P793 WeakPolarHBondContact O-CB 3.37Å; F766-P793 WeakPolarHBondContact O-CG 3.4Å; F766-F795 HydrophobicContact CB-CD2 3.73Å; F766-F795 HydrophobicContact CB-CE2 3.99Å; F766-F795 HydrophobicContact CD2-CD2 4.18Å; F766-F795 HydrophobicContact CG-CD2 4.29Å; F766-L797 HydrophobicContact CE2-CD1 3.61Å; F766-L797 HydrophobicContact CE2-CG 4.31Å; F766-L797 HydrophobicContact CZ-CD1 3.86Å; F766-V837 HydrophobicContact CE1-CG1 3.87Å; F766-V837 HydrophobicContact CE1-CG2 3.88Å; F766-V837 HydrophobicContact CZ-CG1 3.67Å; F766-V837 HydrophobicContact CZ-CG2 4.41Å | ||
| 767 | V | 93.1 | Very high | 92.8 | Very high | 59 Ų | 59 | 37.1 Ų | 37.1 | 36% | 0.358 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -73.9 | -19.1 | 174.4 | -57.8 | 0 | 0 | 0 | 0 | 115.1 | H771 R831 | V767-H771 HydrophobicContact CG2-CB 4.15Å; V767-H771 PolarHBondContact N-ND1 2.84Å; V767-H771 VanDerWaalsContact N-ND1 3.16Å; V767-R831 HydrophobicContact CG2-CB 4.37Å; V767-R831 HydrophobicContact CG2-CG 4.22Å |
| 768 | S | 93.3 | Very high | 93.2 | Very high | 39 Ų | 39 | 40 Ų | 40 | 27% | 0.273 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -163.5 | 165.6 | -179.7 | 68.2 | 0 | 0 | 0 | 0 | 112.3 | D770 H771 V772 | S768-D770 VanDerWaalsContact C-N 3.31Å; S768-D770 PolarHBondContact O-N 2.84Å; S768-H771 WeakPolarHBondContact O-CB 3.3Å; S768-H771 PolarHBondContact O-N 3.19Å; S768-H771 VanDerWaalsContact O-N 3.13Å; S768-H771 PolarHBondContact OG-N 3.25Å; S768-V772 PolarHBondContact O-N 2.86Å |
| 769 | F | 92.7 | Very high | 93.7 | Very high | 31 Ų | 31 | 38.9 Ų | 38.9 | 14% | 0.136 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.6 | -36.5 | 173.7 | 178.4 | -126.7 | 0 | 0 | 0 | 113 | H771 V772 K773 L783 P791 F795 V809 | F769-H771 PolarHBondContact O-N 3.15Å; F769-V772 WeakPolarHBondContact O-CB 3.42Å; F769-V772 PolarHBondContact O-N 3.42Å; F769-K773 HydrophobicContact CE1-CD 4.45Å; F769-K773 PolarHBondContact O-N 3.19Å; F769-L783 HydrophobicContact CD2-CD1 4.22Å; F769-L783 HydrophobicContact CE2-CB 4.16Å; F769-L783 HydrophobicContact CE2-CD1 4.02Å; F769-L783 HydrophobicContact CZ-CB 3.87Å; F769-L783 HydrophobicContact CZ-CD1 4.42Å; F769-P791 HydrophobicContact CB-CB 3.96Å; F769-P791 HydrophobicContact CB-CG 3.68Å; F769-P791 HydrophobicContact CD1-CG 3.98Å; F769-P791 HydrophobicContact CG-CB 4.21Å; F769-P791 HydrophobicContact CG-CG 3.94Å; F769-F795 HydrophobicContact CB-CZ 4.31Å; F769-V809 HydrophobicContact CD2-CB 4.4Å; F769-V809 HydrophobicContact CD2-CG1 4.17Å; F769-V809 HydrophobicContact CD2-CG2 4.29Å; F769-V809 HydrophobicContact CE2-CB 4.04Å; F769-V809 HydrophobicContact CE2-CG1 4.32Å; F769-V809 HydrophobicContact CE2-CG2 3.78Å |
| 770 | D | 92.6 | Very high | 93.7 | Very high | 88 Ų | 88 | 41.7 Ų | 41.7 | 47% | 0.471 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -66.2 | -29.1 | 175.2 | -66.6 | -33.9 | 0 | 0 | 0 | 112.2 | S768 V772 K773 D774 | S768-D770 VanDerWaalsContact C-N 3.31Å; S768-D770 PolarHBondContact O-N 2.84Å; D770-V772 VanDerWaalsContact C-N 3.26Å; D770-V772 PolarHBondContact O-N 3.17Å; D770-K773 PolarHBondContact O-N 3.05Å; D770-K773 IonicContact OD1-NZ 3.55Å; D770-K773 PolarHBondContact OD1-NZ 3.18Å; D770-D774 WeakPolarHBondContact O-CB 3.47Å; D770-D774 VanDerWaalsContact O-CG 3.29Å; D770-D774 PolarHBondContact O-N 3.06Å |
| 771 | H | 95 | Very high | 93.6 | Very high | 2 Ų | 2 | 43.3 Ų | 43.3 | 1% | 0.009 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.7 | -36.9 | 170.2 | -168.2 | -159.5 | 0 | 0 | 0 | 112.4 | F766 V767 S768 F769 S775 R831 F832 | F766-H771 VanDerWaalsContact CA-ND1 3.32Å; F766-H771 WeakPolarHBondContact CA-ND1 3.31Å; F766-H771 HydrophobicContact CB-CB 4.46Å; F766-H771 HydrophobicContact CD1-CB 4.33Å; F766-H771 AromaticContact CD1-CE1 3.9Å; F766-H771 AromaticContact CD1-CG 3.92Å; F766-H771 AromaticContact CD1-ND1 3.66Å; V767-H771 HydrophobicContact CG2-CB 4.15Å; V767-H771 PolarHBondContact N-ND1 2.84Å; V767-H771 VanDerWaalsContact N-ND1 3.16Å; S768-H771 WeakPolarHBondContact O-CB 3.3Å; S768-H771 PolarHBondContact O-N 3.19Å; S768-H771 VanDerWaalsContact O-N 3.13Å; S768-H771 PolarHBondContact OG-N 3.25Å; F769-H771 PolarHBondContact O-N 3.15Å; H771-S775 WeakPolarHBondContact O-CB 3.34Å; H771-S775 PolarHBondContact O-N 3.38Å; H771-S775 VanDerWaalsContact O-N 3.11Å; H771-S775 PolarHBondContact O-OG 3.44Å; H771-R831 VanDerWaalsContact CB-NH1 3.31Å; H771-F832 PolarHBondContact CE1-N 3.12Å; H771-F832 PolarHBondContact NE2-N 3.4Å; H771-F832 PolarHBondContact NE2-O 2.92Å |
| 772 | V | 95 | Very high | 93.4 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -65.6 | -47.3 | 175.3 | -175.1 | 0 | 0 | 0 | 0 | 110.2 | F766 S768 F769 D770 D774 S775 F776 F795 L797 V809 | F766-V772 HydrophobicContact CB-CG2 3.98Å; F766-V772 HydrophobicContact CD1-CB 4.44Å; F766-V772 HydrophobicContact CD1-CG2 3.77Å; F766-V772 HydrophobicContact CD2-CG2 3.87Å; F766-V772 HydrophobicContact CE1-CG2 4.23Å; F766-V772 HydrophobicContact CE2-CG2 4.3Å; F766-V772 HydrophobicContact CG-CG2 3.6Å; F766-V772 HydrophobicContact CZ-CG2 4.48Å; S768-V772 PolarHBondContact O-N 2.86Å; F769-V772 WeakPolarHBondContact O-CB 3.42Å; F769-V772 PolarHBondContact O-N 3.42Å; D770-V772 VanDerWaalsContact C-N 3.26Å; D770-V772 PolarHBondContact O-N 3.17Å; V772-D774 VanDerWaalsContact C-N 3.34Å; V772-D774 PolarHBondContact O-N 2.85Å; V772-S775 PolarHBondContact O-N 2.7Å; V772-S775 VanDerWaalsContact O-N 3.07Å; V772-F776 HydrophobicContact CG1-CD2 3.94Å; V772-F776 HydrophobicContact CG1-CE2 4.32Å; V772-F776 WeakPolarHBondContact O-CD2 3.5Å; V772-F776 PolarHBondContact O-N 3.2Å; V772-F776 VanDerWaalsContact O-N 3.08Å; V772-F795 HydrophobicContact CG2-CD2 3.7Å; V772-F795 HydrophobicContact CG2-CE2 3.99Å; V772-L797 HydrophobicContact CG1-CD1 4.22Å; V772-L797 HydrophobicContact CG1-CD2 4.05Å; V772-V809 HydrophobicContact CG1-CG2 3.77Å |
| 773 | K | 94 | Very high | 93.1 | Very high | 85 Ų | 85 | 47 Ų | 47 | 37% | 0.37 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -58 | -45.8 | 177.6 | -65.3 | 178 | -167.3 | 150.8 | 0 | 112.3 | F769 D770 S775 F776 V777 C781 | F769-K773 HydrophobicContact CE1-CD 4.45Å; F769-K773 PolarHBondContact O-N 3.19Å; D770-K773 PolarHBondContact O-N 3.05Å; D770-K773 IonicContact OD1-NZ 3.55Å; D770-K773 PolarHBondContact OD1-NZ 3.18Å; K773-S775 PolarHBondContact O-N 2.9Å; K773-F776 CarbonylContact O-C 3.54Å; K773-F776 PolarHBondContact O-N 2.84Å; K773-V777 PolarHBondContact O-N 3.23Å; K773-C781 HydrophobicContact CG-CB 4.31Å |
| 774 | D | 93.8 | Very high | 92.7 | Very high | 89 Ų | 89 | 52.7 Ų | 52.7 | 48% | 0.476 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -64 | -28 | 178.3 | -70.5 | -8.5 | 0 | 0 | 0 | 112.3 | D770 V772 V777 R831 P834 | D770-D774 WeakPolarHBondContact O-CB 3.47Å; D770-D774 VanDerWaalsContact O-CG 3.29Å; D770-D774 PolarHBondContact O-N 3.06Å; V772-D774 VanDerWaalsContact C-N 3.34Å; V772-D774 PolarHBondContact O-N 2.85Å; D774-V777 VanDerWaalsContact O-CG2 3.28Å; D774-V777 WeakPolarHBondContact O-CG2 3.46Å; D774-R831 IonicContact OD2-CZ 2.85Å; D774-R831 IonicContact OD2-NH2 2.58Å; D774-R831 PolarHBondContact OD2-NH2 3.45Å; D774-P834 WeakPolarHBondContact O-CG 3.42Å |
| 775 | S | 94.9 | Very high | 91.9 | Very high | 15 Ų | 15 | 54.5 Ų | 54.5 | 11% | 0.105 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -82.2 | -25 | 179.5 | -58.4 | 0 | 0 | 0 | 0 | 113.5 | H771 V772 K773 | H771-S775 WeakPolarHBondContact O-CB 3.34Å; H771-S775 PolarHBondContact O-N 3.38Å; H771-S775 VanDerWaalsContact O-N 3.11Å; H771-S775 PolarHBondContact O-OG 3.44Å; V772-S775 PolarHBondContact O-N 2.7Å; V772-S775 VanDerWaalsContact O-N 3.07Å; K773-S775 PolarHBondContact O-N 2.9Å |
| 776 | F | 94 | Very high | 90.7 | Very high | 10 Ų | 10 | 58.7 Ų | 58.7 | 4% | 0.044 | 32% | 0.319 | C | S | . | . | trans | -123 | 49.2 | -175.7 | -67.8 | -84.4 | 0 | 0 | 0 | 112.1 | F766 V772 K773 D778 Y779 L797 I799 V807 V837 | F766-F776 HydrophobicContact CE1-CE2 4.42Å; F766-F776 AromaticContact CZ-CE2 3.86Å; F766-F776 HydrophobicContact CZ-CE2 3.86Å; V772-F776 HydrophobicContact CG1-CD2 3.94Å; V772-F776 HydrophobicContact CG1-CE2 4.32Å; V772-F776 WeakPolarHBondContact O-CD2 3.5Å; V772-F776 PolarHBondContact O-N 3.2Å; V772-F776 VanDerWaalsContact O-N 3.08Å; K773-F776 CarbonylContact O-C 3.54Å; K773-F776 PolarHBondContact O-N 2.84Å; F776-D778 PolarHBondContact O-N 2.74Å; F776-D778 VanDerWaalsContact O-N 3.14Å; F776-Y779 HydrophobicContact CB-CD2 3.91Å; F776-Y779 HydrophobicContact CB-CG 4.2Å; F776-Y779 AromaticContact CD1-CD2 3.8Å; F776-Y779 HydrophobicContact CD1-CD2 3.8Å; F776-Y779 AromaticContact CD1-CE2 3.93Å; F776-Y779 HydrophobicContact CD1-CE2 3.93Å; F776-Y779 HydrophobicContact CD1-CG 4.19Å; F776-Y779 HydrophobicContact CG-CD2 4.36Å; F776-Y779 PolarHBondContact O-N 3.45Å; F776-L797 HydrophobicContact CD2-CD1 4.37Å; F776-L797 HydrophobicContact CE2-CD1 3.45Å; F776-L797 VanDerWaalsContact CE2-CD1 3.45Å; F776-L797 HydrophobicContact CZ-CD1 3.82Å; F776-I799 HydrophobicContact CE1-CD1 4.05Å; F776-I799 HydrophobicContact CZ-CD1 4.03Å; F776-V807 HydrophobicContact CB-CG2 4.2Å; F776-V807 HydrophobicContact CD1-CG2 3.64Å; F776-V807 HydrophobicContact CD2-CG2 4.47Å; F776-V807 HydrophobicContact CE1-CG2 4.07Å; F776-V807 HydrophobicContact CG-CG2 3.87Å; F776-V837 HydrophobicContact CE2-CG1 4.17Å; F776-V837 HydrophobicContact CZ-CG1 4.23Å | ||
| 777 | V | 90 | Very high | 89 | Confident | 116 Ų | 116 | 67.1 Ų | 67.1 | 70% | 0.703 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | -35.1 | -175 | -174 | 0 | 0 | 0 | 0 | 113.6 | K773 D774 Y779 | K773-V777 PolarHBondContact O-N 3.23Å; D774-V777 VanDerWaalsContact O-CG2 3.28Å; D774-V777 WeakPolarHBondContact O-CG2 3.46Å; V777-Y779 VanDerWaalsContact C-N 3.29Å; V777-Y779 PolarHBondContact O-N 3.35Å |
| 778 | D | 89.7 | Confident | 87.7 | Confident | 138 Ų | 138 | 68.5 Ų | 68.5 | 74% | 0.738 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | -0.2 | 179.4 | -65.8 | -29.4 | 0 | 0 | 0 | 113.9 | F776 | F776-D778 PolarHBondContact O-N 2.74Å; F776-D778 VanDerWaalsContact O-N 3.14Å |
| 779 | Y | 92.7 | Very high | 86.3 | Confident | 35 Ų | 35 | 73.1 Ų | 73.1 | 14% | 0.137 | 41% | 0.408 | C | S | . | . | S | Bend | trans | -111.1 | 141.9 | -176.9 | -62.9 | -111.1 | 0 | 0 | 0 | 110.5 | F776 V777 C781 I799 E801 K805 V807 | F776-Y779 HydrophobicContact CB-CD2 3.91Å; F776-Y779 HydrophobicContact CB-CG 4.2Å; F776-Y779 AromaticContact CD1-CD2 3.8Å; F776-Y779 HydrophobicContact CD1-CD2 3.8Å; F776-Y779 AromaticContact CD1-CE2 3.93Å; F776-Y779 HydrophobicContact CD1-CE2 3.93Å; F776-Y779 HydrophobicContact CD1-CG 4.19Å; F776-Y779 HydrophobicContact CG-CD2 4.36Å; F776-Y779 PolarHBondContact O-N 3.45Å; V777-Y779 VanDerWaalsContact C-N 3.29Å; V777-Y779 PolarHBondContact O-N 3.35Å; Y779-C781 PolarHBondContact O-N 2.6Å; Y779-C781 VanDerWaalsContact O-N 3.09Å; Y779-I799 HydrophobicContact CD1-CG2 4.39Å; Y779-I799 HydrophobicContact CE1-CG2 3.84Å; Y779-E801 PolarHBondContact OH-OE1 2.89Å; Y779-E801 VanDerWaalsContact OH-OE1 3.12Å; Y779-E801 PolarHBondContact OH-OE2 3.24Å; Y779-K805 WeakPolarHBondContact CA-O 3.48Å; Y779-K805 HydrophobicContact CD1-CB 3.59Å; Y779-K805 HydrophobicContact CD1-CD 4.46Å; Y779-K805 HydrophobicContact CD1-CG 4.47Å; Y779-K805 HydrophobicContact CE1-CB 3.84Å; Y779-K805 HydrophobicContact CE1-CD 3.99Å; Y779-K805 HydrophobicContact CE1-CG 4.23Å; Y779-K805 HydrophobicContact CE2-CD 4.3Å; Y779-K805 HydrophobicContact CG-CB 4.03Å; Y779-V807 HydrophobicContact CD1-CG2 3.48Å; Y779-V807 VanDerWaalsContact CD1-CG2 3.48Å; Y779-V807 HydrophobicContact CE1-CG2 4.25Å; Y779-V807 HydrophobicContact CG-CG2 3.69Å |
| 780 | K | 92.5 | Very high | 85.3 | Confident | 129 Ų | 129 | 78.5 Ų | 78.5 | 56% | 0.561 | 44% | 0.438 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 108.6 | 163.6 | -175.1 | -176.4 | 176.6 | -172.5 | 0 | 108.5 | V782 K805 Q806 V807 | K780-V782 HydrophobicContact CD-CG2 4.37Å; K780-V782 HydrophobicContact CG-CG2 4.21Å; K780-K805 PolarHBondContact N-O 3.43Å; K780-Q806 WeakPolarHBondContact O-CA 3.4Å; K780-Q806 WeakPolarHBondContact O-CG 3.36Å; K780-V807 PolarHBondContact O-N 3.47Å |
| 781 | C | 91.1 | Very high | 84.8 | Confident | 37 Ų | 37 | 75.9 Ų | 75.9 | 25% | 0.25 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 121.2 | 175.1 | -66.8 | 0 | 0 | 0 | 0 | 110.2 | K773 Y779 V807 | K773-C781 HydrophobicContact CG-CB 4.31Å; Y779-C781 PolarHBondContact O-N 2.6Å; Y779-C781 VanDerWaalsContact O-N 3.09Å; C781-V807 CarbonylContact C-O 3.57Å; C781-V807 WeakPolarHBondContact CA-O 3.5Å |
| 782 | V | 91.1 | Very high | 84.5 | Confident | 47 Ų | 47 | 80.2 Ų | 80.2 | 29% | 0.285 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 131.2 | 177.3 | 179.8 | 0 | 0 | 0 | 0 | 108.3 | K780 Q806 V807 T808 V809 | K780-V782 HydrophobicContact CD-CG2 4.37Å; K780-V782 HydrophobicContact CG-CG2 4.21Å; V782-Q806 HydrophobicContact CG2-CG 4.18Å; V782-V807 PolarHBondContact N-O 2.88Å; V782-T808 CarbonylContact O-C 3.45Å; V782-T808 VanDerWaalsContact O-CA 3.31Å; V782-T808 WeakPolarHBondContact O-CA 3.31Å; V782-V809 PolarHBondContact O-N 2.9Å |
| 783 | L | 89.6 | Confident | 84.1 | Confident | 61 Ų | 61 | 81.6 Ų | 81.6 | 32% | 0.319 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 127 | 175.8 | -178.3 | 68 | 0 | 0 | 0 | 109.3 | F769 C785 P791 V809 P811 | F769-L783 HydrophobicContact CD2-CD1 4.22Å; F769-L783 HydrophobicContact CE2-CB 4.16Å; F769-L783 HydrophobicContact CE2-CD1 4.02Å; F769-L783 HydrophobicContact CZ-CB 3.87Å; F769-L783 HydrophobicContact CZ-CD1 4.42Å; L783-C785 HydrophobicContact CD1-CB 4.43Å; L783-C785 HydrophobicContact CD2-CB 4.08Å; L783-C785 HydrophobicContact CG-CB 3.93Å; L783-P791 HydrophobicContact CD1-CB 3.82Å; L783-P791 HydrophobicContact CD2-CB 3.86Å; L783-P791 HydrophobicContact CD2-CG 3.99Å; L783-V809 HydrophobicContact CD1-CB 4.17Å; L783-V809 HydrophobicContact CD1-CG1 4.29Å; L783-P811 HydrophobicContact CD1-CG 4.16Å |
| 784 | E | 86.5 | Confident | 84 | Confident | 120 Ų | 120 | 77.8 Ų | 77.8 | 56% | 0.561 | 45% | 0.445 | S | S | * | . | trans | -102.8 | 84.4 | 174.1 | -170.6 | 175.3 | 175.5 | 0 | 0 | 108.8 | T808 V809 I810 P811 | E784-T808 HydrophobicContact CB-CG2 3.96Å; E784-V809 PolarHBondContact N-O 2.91Å; E784-I810 HydrophobicContact CB-CG1 4.2Å; E784-P811 WeakPolarHBondContact O-CD 3.43Å | ||
| 785 | C | 75.9 | Confident | 84.1 | Confident | 42 Ų | 42 | 73.5 Ų | 73.5 | 28% | 0.284 | 42% | 0.422 | S | S | . | . | trans | -137.1 | 150.4 | -179.9 | -165 | 0 | 0 | 0 | 0 | 110.4 | L783 P811 | L783-C785 HydrophobicContact CD1-CB 4.43Å; L783-C785 HydrophobicContact CD2-CB 4.08Å; L783-C785 HydrophobicContact CG-CB 3.93Å; C785-P811 HydrophobicContact CB-CG 4.08Å | ||
| 786 | S | 70.3 | Confident | 84.1 | Confident | 88 Ų | 88 | 76.6 Ų | 76.6 | 62% | 0.615 | 43% | 0.434 | S | S | * | . | trans | -67.3 | 141.9 | 173.6 | -33 | 0 | 0 | 0 | 0 | 110.2 | G788 | S786-G788 PolarHBondContact O-N 3.46Å; S786-G788 VanDerWaalsContact O-N 3.09Å | ||
| 787 | D | 61.6 | Low | 84.2 | Confident | 179 Ų | 179 | 76.1 Ų | 76.1 | 96% | 0.957 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.9 | 116.4 | -179.2 | -72.2 | -35.8 | 0 | 0 | 0 | 112 | ||
| 788 | G | 64.6 | Low | 84.3 | Confident | 88 Ų | 88 | 72.9 Ų | 72.9 | 91% | 0.907 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 108.2 | 0.5 | 170.4 | 0 | 0 | 0 | 0 | 0 | 117.9 | S786 | S786-G788 PolarHBondContact O-N 3.46Å; S786-G788 VanDerWaalsContact O-N 3.09Å |
| 789 | Q | 64.3 | Low | 84.4 | Confident | 136 Ų | 136 | 66.8 Ų | 66.8 | 64% | 0.636 | 38% | 0.378 | S | S | * | . | trans | -95.7 | 136.2 | 172.9 | -77.7 | -179.5 | -13.5 | 0 | 0 | 112.2 | ||||
| 790 | D | 72.6 | Confident | 84.1 | Confident | 143 Ų | 143 | 68.4 Ų | 68.4 | 77% | 0.765 | 39% | 0.391 | S | S | * | . | trans | -68.1 | 131.8 | 169.9 | -75.8 | -36.2 | 0 | 0 | 0 | 110 | V792 | D790-V792 VanDerWaalsContact C-N 3.34Å; D790-V792 HydrophobicContact CB-CG2 4.18Å; D790-V792 PolarHBondContact O-N 3.4Å | ||
| 791 | P | 82.3 | Confident | 83.7 | Confident | 33 Ų | 33 | 66.2 Ų | 66.2 | 21% | 0.214 | 38% | 0.383 | C | S | . | . | trans | -75.5 | 87 | 178.4 | 30.9 | -34.8 | 0 | 0 | 0 | 110.3 | F769 L783 F795 | F769-P791 HydrophobicContact CB-CB 3.96Å; F769-P791 HydrophobicContact CB-CG 3.68Å; F769-P791 HydrophobicContact CD1-CG 3.98Å; F769-P791 HydrophobicContact CG-CB 4.21Å; F769-P791 HydrophobicContact CG-CG 3.94Å; L783-P791 HydrophobicContact CD1-CB 3.82Å; L783-P791 HydrophobicContact CD2-CB 3.86Å; L783-P791 HydrophobicContact CD2-CG 3.99Å; P791-F795 HydrophobicContact CB-CE1 4.44Å; P791-F795 WeakPolarHBondContact O-CZ 3.44Å | ||
| 792 | V | 87.1 | Confident | 83.2 | Confident | 93 Ų | 93 | 65.9 Ų | 65.9 | 56% | 0.564 | 39% | 0.386 | S | S | * | . | P | Polyproline II helix | trans | -94.5 | 136.2 | 176.4 | -173.9 | 0 | 0 | 0 | 0 | 109.1 | D790 F795 | D790-V792 VanDerWaalsContact C-N 3.34Å; D790-V792 HydrophobicContact CB-CG2 4.18Å; D790-V792 PolarHBondContact O-N 3.4Å; V792-F795 WeakPolarHBondContact O-CE1 3.41Å |
| 793 | P | 88 | Confident | 82.6 | Confident | 30 Ų | 30 | 70.2 Ų | 70.2 | 20% | 0.195 | 42% | 0.415 | C | S | . | . | S | Bend | trans | -60.6 | 157.6 | 173.3 | 26.8 | -36.1 | 0 | 0 | 0 | 111.3 | F766 F795 | F766-P793 WeakPolarHBondContact O-CB 3.37Å; F766-P793 WeakPolarHBondContact O-CG 3.4Å; P793-F795 HydrophobicContact CB-CD2 4.08Å; P793-F795 HydrophobicContact CB-CE1 4.47Å; P793-F795 HydrophobicContact CB-CE2 3.76Å; P793-F795 HydrophobicContact CB-CZ 3.98Å; P793-F795 HydrophobicContact CG-CE2 4.37Å; P793-F795 HydrophobicContact CG-CZ 4.41Å; P793-F795 VanDerWaalsContact N-CZ 3.32Å |
| 794 | P | 92.5 | Very high | 82.4 | Confident | 4 Ų | 4 | 72 Ų | 72 | 3% | 0.026 | 43% | 0.43 | C | S | . | . | P | Polyproline II helix | cis | -71.6 | 160.7 | 9.9 | -28.4 | 41 | 0 | 0 | 0 | 117.5 | D763 Y812 V814 F827 | D763-P794 WeakPolarHBondContact O-CA 3.39Å; D763-P794 VanDerWaalsContact O-CB 3.29Å; D763-P794 WeakPolarHBondContact O-CB 3.44Å; P794-Y812 HydrophobicContact CB-CD1 4.33Å; P794-Y812 HydrophobicContact CB-CE1 3.56Å; P794-Y812 HydrophobicContact CB-CE2 3.98Å; P794-Y812 VanDerWaalsContact CB-OH 3.23Å; P794-Y812 WeakPolarHBondContact CB-OH 3.45Å; P794-Y812 HydrophobicContact CG-CE2 4.3Å; P794-Y812 PolarHBondContact O-N 3.44Å; P794-V814 HydrophobicContact CG-CG2 3.59Å; P794-F827 HydrophobicContact CG-CE1 4.19Å |
| 795 | F | 94.5 | Very high | 82.5 | Confident | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 132.4 | 179.3 | -57.1 | -51.8 | 0 | 0 | 0 | 113.5 | F762 D763 F766 F769 V772 P791 V792 P793 L797 V809 P811 | F762-F795 PolarHBondContact N-O 3.27Å; D763-F795 PolarHBondContact O-N 2.98Å; F766-F795 HydrophobicContact CB-CD2 3.73Å; F766-F795 HydrophobicContact CB-CE2 3.99Å; F766-F795 HydrophobicContact CD2-CD2 4.18Å; F766-F795 HydrophobicContact CG-CD2 4.29Å; F769-F795 HydrophobicContact CB-CZ 4.31Å; V772-F795 HydrophobicContact CG2-CD2 3.7Å; V772-F795 HydrophobicContact CG2-CE2 3.99Å; P791-F795 HydrophobicContact CB-CE1 4.44Å; P791-F795 WeakPolarHBondContact O-CZ 3.44Å; V792-F795 WeakPolarHBondContact O-CE1 3.41Å; P793-F795 HydrophobicContact CB-CD2 4.08Å; P793-F795 HydrophobicContact CB-CE1 4.47Å; P793-F795 HydrophobicContact CB-CE2 3.76Å; P793-F795 HydrophobicContact CB-CZ 3.98Å; P793-F795 HydrophobicContact CG-CE2 4.37Å; P793-F795 HydrophobicContact CG-CZ 4.41Å; P793-F795 VanDerWaalsContact N-CZ 3.32Å; F795-L797 HydrophobicContact CB-CD2 4.37Å; F795-V809 HydrophobicContact CB-CG1 4.07Å; F795-V809 HydrophobicContact CD1-CG1 3.8Å; F795-V809 HydrophobicContact CE1-CG1 4.42Å; F795-V809 HydrophobicContact CG-CG1 3.9Å; F795-P811 HydrophobicContact CD1-CB 3.98Å; F795-P811 HydrophobicContact CE1-CB 3.97Å |
| 796 | K | 95.2 | Very high | 83.4 | Confident | 80 Ų | 80 | 71 Ų | 71 | 35% | 0.348 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 136.9 | 159.6 | -73.2 | 170.9 | -176.3 | 176.5 | 0 | 109.5 | L760 D761 I810 Y812 | L760-K796 WeakPolarHBondContact O-CA 3.43Å; D761-K796 HydrophobicContact CB-CD 4.45Å; D761-K796 HydrophobicContact CB-CG 3.73Å; D761-K796 WeakPolarHBondContact OD2-CE 3.48Å; D761-K796 IonicContact OD2-NZ 2.97Å; K796-I810 HydrophobicContact CB-CB 4.17Å; K796-I810 PolarHBondContact N-O 3.41Å; K796-I810 PolarHBondContact O-N 3.45Å; K796-Y812 HydrophobicContact CD-CD1 4.24Å; K796-Y812 HydrophobicContact CD-CE1 4.25Å; K796-Y812 HydrophobicContact CG-CD1 4.13Å; K796-Y812 HydrophobicContact CG-CE1 3.86Å |
| 797 | L | 95.2 | Very high | 84.5 | Confident | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 124.5 | 178.3 | -58.3 | -169 | 0 | 0 | 0 | 110.1 | T759 L760 F762 F766 V772 F776 F795 I799 V807 T808 V809 | T759-L797 CarbonylContact C-O 3.56Å; T759-L797 WeakPolarHBondContact CA-O 3.36Å; L760-L797 PolarHBondContact N-O 3.19Å; L760-L797 PolarHBondContact O-N 2.9Å; F762-L797 HydrophobicContact CD2-CB 3.91Å; F762-L797 HydrophobicContact CD2-CD1 3.66Å; F762-L797 HydrophobicContact CD2-CG 3.62Å; F762-L797 HydrophobicContact CE2-CB 3.88Å; F762-L797 HydrophobicContact CE2-CD1 3.62Å; F762-L797 HydrophobicContact CE2-CG 3.92Å; F762-L797 HydrophobicContact CG-CD1 4.33Å; F762-L797 HydrophobicContact CG-CG 4.47Å; F762-L797 HydrophobicContact CZ-CD1 4.27Å; F766-L797 HydrophobicContact CE2-CD1 3.61Å; F766-L797 HydrophobicContact CE2-CG 4.31Å; F766-L797 HydrophobicContact CZ-CD1 3.86Å; V772-L797 HydrophobicContact CG1-CD1 4.22Å; V772-L797 HydrophobicContact CG1-CD2 4.05Å; F776-L797 HydrophobicContact CD2-CD1 4.37Å; F776-L797 HydrophobicContact CE2-CD1 3.45Å; F776-L797 VanDerWaalsContact CE2-CD1 3.45Å; F776-L797 HydrophobicContact CZ-CD1 3.82Å; F795-L797 HydrophobicContact CB-CD2 4.37Å; L797-I799 HydrophobicContact CB-CD1 4.35Å; L797-I799 HydrophobicContact CB-CG1 4.09Å; L797-V807 HydrophobicContact CB-CG1 4.21Å; L797-V807 HydrophobicContact CD1-CG1 4.14Å; L797-V807 HydrophobicContact CD2-CG1 4.01Å; L797-V807 HydrophobicContact CG-CG1 4.37Å; L797-T808 WeakPolarHBondContact CA-O 3.11Å; L797-V809 HydrophobicContact CD2-CB 4.03Å; L797-V809 HydrophobicContact CD2-CG1 3.85Å; L797-V809 HydrophobicContact CD2-CG2 3.74Å |
| 798 | D | 93.7 | Very high | 86 | Confident | 48 Ų | 48 | 59.1 Ų | 59.1 | 26% | 0.257 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 116.1 | 164.5 | -172.8 | 34.6 | 0 | 0 | 0 | 109.5 | T759 V807 T808 | T759-D798 HydrophobicContact CG2-CB 4.44Å; T759-D798 PolarHBondContact OG1-OD1 3.07Å; D798-V807 WeakPolarHBondContact O-CA 3.48Å; D798-T808 PolarHBondContact N-O 3.18Å; D798-T808 PolarHBondContact O-N 3.39Å |
| 799 | I | 91.1 | Very high | 87.4 | Confident | 10 Ų | 10 | 55 Ų | 55 | 5% | 0.051 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 113.2 | -169.8 | -52.6 | 172.4 | 0 | 0 | 0 | 110 | A758 F762 F776 Y779 L797 V807 R841 | A758-I799 PolarHBondContact O-N 2.95Å; A758-I799 VanDerWaalsContact O-N 3.13Å; F762-I799 HydrophobicContact CE2-CD1 4.24Å; F762-I799 HydrophobicContact CZ-CD1 4.46Å; F776-I799 HydrophobicContact CE1-CD1 4.05Å; F776-I799 HydrophobicContact CZ-CD1 4.03Å; Y779-I799 HydrophobicContact CD1-CG2 4.39Å; Y779-I799 HydrophobicContact CE1-CG2 3.84Å; L797-I799 HydrophobicContact CB-CD1 4.35Å; L797-I799 HydrophobicContact CB-CG1 4.09Å; I799-V807 HydrophobicContact CG1-CG1 4.5Å; I799-V807 HydrophobicContact CG1-CG2 4.17Å; I799-V807 HydrophobicContact CG2-CG2 4.1Å; I799-R841 VanDerWaalsContact CG2-NH2 3.27Å |
| 800 | T | 87.5 | Confident | 88.8 | Confident | 69 Ų | 69 | 51 Ų | 51 | 42% | 0.423 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 119.4 | 177.9 | -61 | 0 | 0 | 0 | 0 | 110.9 | G802 Q806 | T800-G802 VanDerWaalsContact C-N 3.34Å; T800-Q806 PolarHBondContact N-O 3.48Å; T800-Q806 PolarHBondContact O-N 3.3Å; T800-Q806 VanDerWaalsContact O-N 3.16Å |
| 801 | E | 83.9 | Confident | 89.7 | Confident | 83 Ų | 83 | 45.4 Ų | 45.4 | 39% | 0.388 | 26% | 0.261 | S | S | . | . | trans | -87.5 | 7 | -179.2 | -66.2 | -72.6 | 170.8 | 0 | 0 | 114.1 | Y779 K805 R841 | Y779-E801 PolarHBondContact OH-OE1 2.89Å; Y779-E801 VanDerWaalsContact OH-OE1 3.12Å; Y779-E801 PolarHBondContact OH-OE2 3.24Å; E801-K805 IonicContact OE2-NZ 2.66Å; E801-R841 IonicContact OE1-CZ 3.68Å; E801-R841 IonicContact OE1-NH1 3.89Å; E801-R841 PolarHBondContact OE1-NH1 3.48Å; E801-R841 VanDerWaalsContact OE1-NH1 3.14Å; E801-R841 IonicContact OE1-NH2 3.62Å; E801-R841 PolarHBondContact OE1-NH2 2.88Å | ||
| 802 | G | 79.9 | Confident | 90.1 | Very high | 30 Ų | 30 | 46.9 Ų | 46.9 | 31% | 0.309 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -73.1 | 165.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | T800 P804 K805 | T800-G802 VanDerWaalsContact C-N 3.34Å; G802-P804 CarbonylContact O-C 3.53Å; G802-K805 VanDerWaalsContact O-CA 3.29Å; G802-K805 WeakPolarHBondContact O-CA 3.44Å; G802-K805 PolarHBondContact O-N 2.95Å |
| 803 | P | 78.7 | Confident | 89.9 | Confident | 137 Ų | 137 | 47.9 Ų | 47.9 | 89% | 0.89 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -82.1 | 117 | 165.3 | 28.8 | -28.2 | 0 | 0 | 0 | 110.1 | ||
| 804 | P | 84.4 | Confident | 89.6 | Confident | 98 Ų | 98 | 49.1 Ų | 49.1 | 64% | 0.636 | 28% | 0.281 | S | S | * | . | S | Bend | cis | -82.9 | 145.7 | 1.8 | 34.2 | -34.4 | 0 | 0 | 0 | 113.1 | G802 Q806 | G802-P804 CarbonylContact O-C 3.53Å; P804-Q806 PolarHBondContact O-N 3.11Å |
| 805 | K | 89.9 | Confident | 89.1 | Confident | 85 Ų | 85 | 51.4 Ų | 51.4 | 37% | 0.37 | 30% | 0.297 | S | S | . | . | P | Polyproline II helix | trans | -64.6 | 127.4 | 174.3 | -73.5 | -171.5 | 173.9 | -160.3 | 0 | 108.7 | Y779 K780 E801 G802 | Y779-K805 WeakPolarHBondContact CA-O 3.48Å; Y779-K805 HydrophobicContact CD1-CB 3.59Å; Y779-K805 HydrophobicContact CD1-CD 4.46Å; Y779-K805 HydrophobicContact CD1-CG 4.47Å; Y779-K805 HydrophobicContact CE1-CB 3.84Å; Y779-K805 HydrophobicContact CE1-CD 3.99Å; Y779-K805 HydrophobicContact CE1-CG 4.23Å; Y779-K805 HydrophobicContact CE2-CD 4.3Å; Y779-K805 HydrophobicContact CG-CB 4.03Å; K780-K805 PolarHBondContact N-O 3.43Å; E801-K805 IonicContact OE2-NZ 2.66Å; G802-K805 VanDerWaalsContact O-CA 3.29Å; G802-K805 WeakPolarHBondContact O-CA 3.44Å; G802-K805 PolarHBondContact O-N 2.95Å |
| 806 | Q | 93.2 | Very high | 88.6 | Confident | 56 Ų | 56 | 54.5 Ų | 54.5 | 26% | 0.262 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 139.1 | -174.9 | -178.4 | 174.7 | -31.3 | 0 | 0 | 110.7 | K780 V782 T800 P804 T808 | K780-Q806 WeakPolarHBondContact O-CA 3.4Å; K780-Q806 WeakPolarHBondContact O-CG 3.36Å; V782-Q806 HydrophobicContact CG2-CG 4.18Å; T800-Q806 PolarHBondContact N-O 3.48Å; T800-Q806 PolarHBondContact O-N 3.3Å; T800-Q806 VanDerWaalsContact O-N 3.16Å; P804-Q806 PolarHBondContact O-N 3.11Å; Q806-T808 PolarHBondContact NE2-OG1 3.45Å |
| 807 | V | 93.5 | Very high | 88.1 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 118.2 | 169.7 | 173.3 | 0 | 0 | 0 | 0 | 107.7 | F776 Y779 K780 C781 V782 L797 D798 I799 V809 | F776-V807 HydrophobicContact CB-CG2 4.2Å; F776-V807 HydrophobicContact CD1-CG2 3.64Å; F776-V807 HydrophobicContact CD2-CG2 4.47Å; F776-V807 HydrophobicContact CE1-CG2 4.07Å; F776-V807 HydrophobicContact CG-CG2 3.87Å; Y779-V807 HydrophobicContact CD1-CG2 3.48Å; Y779-V807 VanDerWaalsContact CD1-CG2 3.48Å; Y779-V807 HydrophobicContact CE1-CG2 4.25Å; Y779-V807 HydrophobicContact CG-CG2 3.69Å; K780-V807 PolarHBondContact O-N 3.47Å; C781-V807 CarbonylContact C-O 3.57Å; C781-V807 WeakPolarHBondContact CA-O 3.5Å; V782-V807 PolarHBondContact N-O 2.88Å; L797-V807 HydrophobicContact CB-CG1 4.21Å; L797-V807 HydrophobicContact CD1-CG1 4.14Å; L797-V807 HydrophobicContact CD2-CG1 4.01Å; L797-V807 HydrophobicContact CG-CG1 4.37Å; D798-V807 WeakPolarHBondContact O-CA 3.48Å; I799-V807 HydrophobicContact CG1-CG1 4.5Å; I799-V807 HydrophobicContact CG1-CG2 4.17Å; I799-V807 HydrophobicContact CG2-CG2 4.1Å; V807-V809 HydrophobicContact CG1-CG2 4.27Å |
| 808 | T | 94.6 | Very high | 87.7 | Confident | 19 Ų | 19 | 56.5 Ų | 56.5 | 12% | 0.117 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 122.1 | 171.5 | -54.7 | 0 | 0 | 0 | 0 | 108.7 | V782 E784 L797 D798 Q806 I810 | V782-T808 CarbonylContact O-C 3.45Å; V782-T808 VanDerWaalsContact O-CA 3.31Å; V782-T808 WeakPolarHBondContact O-CA 3.31Å; E784-T808 HydrophobicContact CB-CG2 3.96Å; L797-T808 WeakPolarHBondContact CA-O 3.11Å; D798-T808 PolarHBondContact N-O 3.18Å; D798-T808 PolarHBondContact O-N 3.39Å; Q806-T808 PolarHBondContact NE2-OG1 3.45Å; T808-I810 HydrophobicContact CG2-CG1 4.45Å |
| 809 | V | 94.1 | Very high | 87.3 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 121 | -178.6 | -171.6 | 0 | 0 | 0 | 0 | 108.9 | F769 V772 V782 L783 E784 F795 L797 V807 P811 | F769-V809 HydrophobicContact CD2-CB 4.4Å; F769-V809 HydrophobicContact CD2-CG1 4.17Å; F769-V809 HydrophobicContact CD2-CG2 4.29Å; F769-V809 HydrophobicContact CE2-CB 4.04Å; F769-V809 HydrophobicContact CE2-CG1 4.32Å; F769-V809 HydrophobicContact CE2-CG2 3.78Å; V772-V809 HydrophobicContact CG1-CG2 3.77Å; V782-V809 PolarHBondContact O-N 2.9Å; L783-V809 HydrophobicContact CD1-CB 4.17Å; L783-V809 HydrophobicContact CD1-CG1 4.29Å; E784-V809 PolarHBondContact N-O 2.91Å; F795-V809 HydrophobicContact CB-CG1 4.07Å; F795-V809 HydrophobicContact CD1-CG1 3.8Å; F795-V809 HydrophobicContact CE1-CG1 4.42Å; F795-V809 HydrophobicContact CG-CG1 3.9Å; L797-V809 HydrophobicContact CD2-CB 4.03Å; L797-V809 HydrophobicContact CD2-CG1 3.85Å; L797-V809 HydrophobicContact CD2-CG2 3.74Å; V807-V809 HydrophobicContact CG1-CG2 4.27Å; V809-P811 WeakPolarHBondContact O-CD 3.4Å |
| 810 | I | 93.8 | Very high | 87.1 | Confident | 52 Ų | 52 | 55.1 Ų | 55.1 | 27% | 0.267 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 98.3 | -179.6 | -54.8 | 165.5 | 0 | 0 | 0 | 107.4 | E784 K796 T808 | E784-I810 HydrophobicContact CB-CG1 4.2Å; K796-I810 HydrophobicContact CB-CB 4.17Å; K796-I810 PolarHBondContact N-O 3.41Å; K796-I810 PolarHBondContact O-N 3.45Å; T808-I810 HydrophobicContact CG2-CG1 4.45Å |
| 811 | P | 91.7 | Very high | 86.7 | Confident | 27 Ų | 27 | 54.8 Ų | 54.8 | 18% | 0.175 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 145.4 | 171.6 | 30.1 | -33.4 | 0 | 0 | 0 | 110.6 | L783 E784 C785 F795 V809 | L783-P811 HydrophobicContact CD1-CG 4.16Å; E784-P811 WeakPolarHBondContact O-CD 3.43Å; C785-P811 HydrophobicContact CB-CG 4.08Å; F795-P811 HydrophobicContact CD1-CB 3.98Å; F795-P811 HydrophobicContact CE1-CB 3.97Å; V809-P811 WeakPolarHBondContact O-CD 3.4Å |
| 812 | Y | 89.6 | Confident | 86.4 | Confident | 64 Ų | 64 | 57.1 Ų | 57.1 | 25% | 0.251 | 34% | 0.336 | S | S | . | . | trans | -141.9 | 142.7 | 172 | 66.1 | -83.7 | 0 | 0 | 0 | 110.6 | D761 P794 K796 V814 | D761-Y812 PolarHBondContact OD1-OH 2.93Å; D761-Y812 VanDerWaalsContact OD1-OH 3.04Å; D761-Y812 PolarHBondContact OD2-OH 3.48Å; P794-Y812 HydrophobicContact CB-CD1 4.33Å; P794-Y812 HydrophobicContact CB-CE1 3.56Å; P794-Y812 HydrophobicContact CB-CE2 3.98Å; P794-Y812 VanDerWaalsContact CB-OH 3.23Å; P794-Y812 WeakPolarHBondContact CB-OH 3.45Å; P794-Y812 HydrophobicContact CG-CE2 4.3Å; P794-Y812 PolarHBondContact O-N 3.44Å; K796-Y812 HydrophobicContact CD-CD1 4.24Å; K796-Y812 HydrophobicContact CD-CE1 4.25Å; K796-Y812 HydrophobicContact CG-CD1 4.13Å; K796-Y812 HydrophobicContact CG-CE1 3.86Å; Y812-V814 HydrophobicContact CD2-CG2 4.47Å; Y812-V814 HydrophobicContact CE2-CG2 4.03Å | ||
| 813 | S | 83.2 | Confident | 86.3 | Confident | 113 Ų | 113 | 56.8 Ų | 56.8 | 79% | 0.79 | 33% | 0.329 | S | S | * | . | trans | -79.4 | 138 | 173.9 | 52.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 814 | V | 80.9 | Confident | 86.5 | Confident | 56 Ų | 56 | 58.6 Ų | 58.6 | 34% | 0.339 | 32% | 0.318 | S | S | . | . | trans | -91.6 | 114.9 | 171.5 | -176.6 | 0 | 0 | 0 | 0 | 108.3 | P794 Y812 | P794-V814 HydrophobicContact CG-CG2 3.59Å; Y812-V814 HydrophobicContact CD2-CG2 4.47Å; Y812-V814 HydrophobicContact CE2-CG2 4.03Å | ||
| 815 | S | 83.2 | Confident | 86.5 | Confident | 53 Ų | 53 | 55.5 Ų | 55.5 | 37% | 0.371 | 29% | 0.294 | S | S | . | . | trans | -57 | 135.1 | 174 | -66.4 | 0 | 0 | 0 | 0 | 111.8 | R817 R1026 | S815-R817 PolarHBondContact O-N 3.01Å; S815-R1026 VanDerWaalsContact CB-CZ 3.47Å; S815-R1026 PolarHBondContact OG-NH2 3.45Å | ||
| 816 | P | 83.3 | Confident | 86.3 | Confident | 64 Ų | 64 | 55.9 Ų | 55.9 | 42% | 0.416 | 30% | 0.295 | S | S | . | . | trans | -60.8 | 138.2 | 177.3 | -18.9 | 31 | 0 | 0 | 0 | 111.4 | G818 E1019 A1023 R1026 | P816-G818 VanDerWaalsContact C-N 3.29Å; P816-E1019 WeakPolarHBondContact CD-OE1 3.34Å; P816-A1023 HydrophobicContact CB-CB 3.85Å; P816-A1023 HydrophobicContact CG-CB 4.44Å; P816-A1023 WeakPolarHBondContact O-CB 3.35Å; P816-R1026 PolarHBondContact O-NH1 3.27Å | ||
| 817 | R | 85.4 | Confident | 86 | Confident | 113 Ų | 113 | 58.3 Ų | 58.3 | 43% | 0.426 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -78.3 | -13.9 | 179.4 | -65.3 | -178.5 | 178.4 | 154.7 | 3.5 | 113.4 | S815 D900 Y1027 | S815-R817 PolarHBondContact O-N 3.01Å; R817-D900 IonicContact CZ-OD1 2.69Å; R817-D900 IonicContact CZ-OD2 2.8Å; R817-D900 IonicContact NH1-OD1 3.32Å; R817-D900 PolarHBondContact NH1-OD1 3.22Å; R817-D900 IonicContact NH1-OD2 3.35Å; R817-D900 PolarHBondContact NH1-OD2 3.36Å; R817-D900 IonicContact NH2-OD1 3.84Å; R817-D900 IonicContact NH2-OD2 3.65Å; R817-D900 PolarHBondContact NH2-OD2 3.34Å; R817-Y1027 WeakPolarHBondContact O-CA 3.29Å; R817-Y1027 WeakPolarHBondContact O-CB 3.43Å; R817-Y1027 PolarHBondContact O-N 3.42Å |
| 818 | G | 87 | Confident | 85.7 | Confident | 9 Ų | 9 | 59.3 Ų | 59.3 | 9% | 0.093 | 31% | 0.31 | C | S | . | . | trans | 172.3 | 171.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | P816 A1023 | P816-G818 VanDerWaalsContact C-N 3.29Å; G818-A1023 WeakPolarHBondContact CA-O 3.33Å | ||
| 819 | P | 85.6 | Confident | 85.3 | Confident | 5 Ų | 5 | 63.7 Ų | 63.7 | 3% | 0.032 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -79.3 | -18.4 | -177.1 | 31.4 | -34.5 | 0 | 0 | 0 | 113 | F999 L1002 Q1006 L1008 M1020 | P819-F999 HydrophobicContact CG-CD1 3.4Å; P819-F999 VanDerWaalsContact CG-CD1 3.4Å; P819-F999 HydrophobicContact CG-CE1 3.4Å; P819-F999 VanDerWaalsContact CG-CE1 3.4Å; P819-F999 HydrophobicContact CG-CG 4.25Å; P819-F999 HydrophobicContact CG-CZ 4.25Å; P819-L1002 HydrophobicContact CB-CD1 4.02Å; P819-L1002 HydrophobicContact CB-CD2 3.92Å; P819-L1002 HydrophobicContact CG-CD1 4.44Å; P819-L1002 HydrophobicContact CG-CD2 4.19Å; P819-Q1006 PolarHBondContact O-NE2 3.38Å; P819-L1008 HydrophobicContact CB-CD1 4.4Å; P819-M1020 HydrophobicContact CB-SD 4.1Å |
| 820 | Y | 86.8 | Confident | 85.2 | Confident | 24 Ų | 24 | 65.9 Ų | 65.9 | 9% | 0.094 | 36% | 0.355 | C | S | . | . | S | Bend | trans | -76.9 | 145.9 | -176.6 | -60.4 | -77.7 | 0 | 0 | 0 | 112.8 | T822 S823 R942 F999 N1001 L1002 Y1027 | Y820-T822 PolarHBondContact O-N 2.91Å; Y820-S823 WeakPolarHBondContact O-CB 3.32Å; Y820-S823 PolarHBondContact O-N 3.21Å; Y820-R942 PolarHBondContact OH-NH2 2.95Å; Y820-F999 AromaticContact CE2-CD1 3.97Å; Y820-F999 HydrophobicContact CE2-CD1 3.97Å; Y820-F999 AromaticContact CE2-CE1 3.99Å; Y820-F999 HydrophobicContact CE2-CE1 3.99Å; Y820-N1001 PolarHBondContact OH-ND2 3.21Å; Y820-N1001 PolarHBondContact OH-OD1 2.77Å; Y820-L1002 HydrophobicContact CD1-CD2 3.61Å; Y820-L1002 HydrophobicContact CE1-CD2 3.66Å; Y820-L1002 HydrophobicContact CE1-CG 4.27Å; Y820-L1002 HydrophobicContact CG-CD2 4.23Å; Y820-Y1027 HydrophobicContact CD2-CD2 4.1Å; Y820-Y1027 HydrophobicContact CD2-CE1 4.27Å; Y820-Y1027 AromaticContact CD2-CE2 3.54Å; Y820-Y1027 HydrophobicContact CD2-CE2 3.54Å; Y820-Y1027 AromaticContact CD2-CZ 3.64Å; Y820-Y1027 HydrophobicContact CE2-CD1 4.34Å; Y820-Y1027 HydrophobicContact CE2-CD2 4.48Å; Y820-Y1027 AromaticContact CE2-CE1 3.75Å; Y820-Y1027 HydrophobicContact CE2-CE1 3.75Å; Y820-Y1027 AromaticContact CE2-CE2 3.89Å; Y820-Y1027 HydrophobicContact CE2-CE2 3.89Å; Y820-Y1027 AromaticContact CE2-CZ 3.49Å; Y820-Y1027 VanDerWaalsContact CE2-CZ 3.49Å |
| 821 | P | 78.4 | Confident | 85.2 | Confident | 63 Ų | 63 | 68.7 Ų | 68.7 | 41% | 0.409 | 36% | 0.362 | S | S | . | . | G | 310 helix | trans | -56.8 | -32.5 | 173.9 | -26.4 | 34.7 | 0 | 0 | 0 | 113.9 | S823 R824 | P821-S823 PolarHBondContact O-N 2.87Å; P821-R824 VanDerWaalsContact O-CB 3.23Å; P821-R824 WeakPolarHBondContact O-CB 3.44Å; P821-R824 VanDerWaalsContact O-CG 3.3Å; P821-R824 WeakPolarHBondContact O-CG 3.27Å; P821-R824 PolarHBondContact O-N 3.3Å; P821-R824 VanDerWaalsContact O-N 3.14Å |
| 822 | T | 76.7 | Confident | 85.4 | Confident | 131 Ų | 131 | 67.6 Ų | 67.6 | 80% | 0.804 | 36% | 0.355 | S | S | * | . | G | 310 helix | trans | -69 | -20.4 | 176.7 | 50.1 | 0 | 0 | 0 | 0 | 113.4 | Y820 R824 | Y820-T822 PolarHBondContact O-N 2.91Å; T822-R824 VanDerWaalsContact C-N 3.26Å |
| 823 | S | 78.6 | Confident | 85.7 | Confident | 23 Ų | 23 | 65.1 Ų | 65.1 | 16% | 0.161 | 35% | 0.346 | C | S | . | . | G | 310 helix | trans | -82 | -4.4 | 173.7 | -55.1 | 0 | 0 | 0 | 0 | 112.7 | Y820 P821 | Y820-S823 WeakPolarHBondContact O-CB 3.32Å; Y820-S823 PolarHBondContact O-N 3.21Å; P821-S823 PolarHBondContact O-N 2.87Å |
| 824 | R | 82 | Confident | 86.3 | Confident | 176 Ų | 176 | 62.8 Ų | 62.8 | 66% | 0.664 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -68.6 | 135.1 | 176.3 | -67.2 | -179.3 | -177.6 | -175.4 | 3.4 | 109.9 | P821 T822 | P821-R824 VanDerWaalsContact O-CB 3.23Å; P821-R824 WeakPolarHBondContact O-CB 3.44Å; P821-R824 VanDerWaalsContact O-CG 3.3Å; P821-R824 WeakPolarHBondContact O-CG 3.27Å; P821-R824 PolarHBondContact O-N 3.3Å; P821-R824 VanDerWaalsContact O-N 3.14Å; T822-R824 VanDerWaalsContact C-N 3.26Å |
| 825 | R | 84.4 | Confident | 87 | Confident | 33 Ų | 33 | 60.8 Ų | 60.8 | 13% | 0.125 | 32% | 0.318 | C | S | . | . | P | Polyproline II helix | trans | -63.3 | 136.7 | 176.6 | -161.1 | 176.8 | -171.1 | -149 | -2.4 | 110.8 | D763 F827 H872 D900 | D763-R825 IonicContact OD1-CZ 3.54Å; D763-R825 IonicContact OD1-NH1 3.67Å; D763-R825 PolarHBondContact OD1-NH1 3.25Å; D763-R825 IonicContact OD1-NH2 3.3Å; D763-R825 PolarHBondContact OD1-NH2 3.41Å; D763-R825 IonicContact OD2-CZ 2.76Å; D763-R825 IonicContact OD2-NH1 3.07Å; D763-R825 IonicContact OD2-NH2 3.41Å; D763-R825 PolarHBondContact OD2-NH2 3.2Å; R825-F827 HydrophobicContact CB-CD2 4.44Å; R825-F827 HydrophobicContact CB-CE2 3.85Å; R825-F827 HydrophobicContact CB-CZ 4.28Å; R825-F827 HydrophobicContact CG-CE2 4.34Å; R825-F827 HydrophobicContact CG-CZ 4.46Å; R825-F827 WeakPolarHBondContact O-CD2 3.39Å; R825-H872 PolarHBondContact NH2-CD2 2.79Å; R825-H872 VanDerWaalsContact NH2-CD2 3.35Å; R825-H872 PolarHBondContact NH2-CE1 3.12Å; R825-H872 PolarHBondContact NH2-NE2 2.94Å; R825-H872 VanDerWaalsContact NH2-NE2 3.16Å; R825-D900 WeakPolarHBondContact CD-OD2 3.38Å; R825-D900 HydrophobicContact CG-CB 4.06Å; R825-D900 WeakPolarHBondContact CG-OD2 3.42Å; R825-D900 IonicContact CZ-OD2 2.8Å; R825-D900 IonicContact NE-OD2 3.59Å; R825-D900 PolarHBondContact NE-OD2 3.41Å; R825-D900 IonicContact NH2-OD2 2.77Å |
| 826 | K | 86.4 | Confident | 87.7 | Confident | 92 Ų | 92 | 58.6 Ų | 58.6 | 40% | 0.4 | 30% | 0.302 | S | S | . | . | P | Polyproline II helix | trans | -78.8 | 137 | 168.9 | -58.8 | 177.8 | -167.5 | 161.4 | 0 | 108.5 | M897 A898 D900 | K826-M897 PolarHBondContact NZ-O 3.24Å; K826-A898 WeakPolarHBondContact CD-O 3.32Å; K826-D900 HydrophobicContact CB-CB 4.3Å; K826-D900 WeakPolarHBondContact O-CB 3.3Å |
| 827 | F | 86.2 | Confident | 88.4 | Confident | 108 Ų | 108 | 55.7 Ų | 55.7 | 47% | 0.474 | 28% | 0.283 | S | S | . | . | trans | -118.4 | 144.2 | 177.2 | -73.9 | -90.1 | 0 | 0 | 0 | 110.5 | D764 P794 R825 | D764-F827 HydrophobicContact CB-CD1 3.73Å; D764-F827 HydrophobicContact CB-CE1 4.43Å; D764-F827 WeakPolarHBondContact OD2-CA 3.34Å; P794-F827 HydrophobicContact CG-CE1 4.19Å; R825-F827 HydrophobicContact CB-CD2 4.44Å; R825-F827 HydrophobicContact CB-CE2 3.85Å; R825-F827 HydrophobicContact CB-CZ 4.28Å; R825-F827 HydrophobicContact CG-CE2 4.34Å; R825-F827 HydrophobicContact CG-CZ 4.46Å; R825-F827 WeakPolarHBondContact O-CD2 3.39Å | ||
| 828 | N | 88.5 | Confident | 88.9 | Confident | 20 Ų | 20 | 52.9 Ų | 52.9 | 11% | 0.107 | 27% | 0.274 | C | S | . | . | trans | -58.4 | 135.3 | 170.5 | 169.3 | 46.1 | 0 | 0 | 0 | 110.9 | D764 V830 F832 L899 | D764-N828 HydrophobicContact CB-CB 4.36Å; D764-N828 PolarHBondContact O-ND2 3Å; D764-N828 WeakPolarHBondContact OD2-CB 3.49Å; D764-N828 PolarHBondContact OD2-N 3.03Å; N828-V830 PolarHBondContact ND2-O 3.21Å; N828-V830 VanDerWaalsContact OD1-CB 3.29Å; N828-V830 WeakPolarHBondContact OD1-CB 3.28Å; N828-V830 PolarHBondContact OD1-N 3.48Å; N828-F832 VanDerWaalsContact ND2-CE2 3.31Å; N828-F832 WeakPolarHBondContact ND2-CE2 3.44Å; N828-L899 HydrophobicContact CB-CD2 4.48Å | ||
| 829 | S | 86 | Confident | 89.5 | Confident | 112 Ų | 112 | 52.4 Ų | 52.4 | 78% | 0.783 | 27% | 0.27 | S | S | * | . | trans | -105.3 | -5.7 | 176.3 | 56.1 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 830 | V | 90.6 | Very high | 90.1 | Very high | 45 Ų | 45 | 52.2 Ų | 52.2 | 27% | 0.273 | 27% | 0.268 | S | S | . | . | trans | -83.9 | 122 | -177.5 | -175.9 | 0 | 0 | 0 | 0 | 110.1 | N828 F832 | N828-V830 PolarHBondContact ND2-O 3.21Å; N828-V830 VanDerWaalsContact OD1-CB 3.29Å; N828-V830 WeakPolarHBondContact OD1-CB 3.28Å; N828-V830 PolarHBondContact OD1-N 3.48Å; V830-F832 HydrophobicContact CB-CE1 4.35Å; V830-F832 HydrophobicContact CB-CE2 4.32Å; V830-F832 HydrophobicContact CB-CZ 4.1Å; V830-F832 HydrophobicContact CG1-CD1 4.05Å; V830-F832 HydrophobicContact CG1-CE1 3.9Å; V830-F832 HydrophobicContact CG1-CG 4.44Å; V830-F832 HydrophobicContact CG1-CZ 4.16Å; V830-F832 PolarHBondContact O-N 3.11Å | ||
| 831 | R | 93.8 | Very high | 90.5 | Very high | 111 Ų | 111 | 51.2 Ų | 51.2 | 42% | 0.419 | 26% | 0.264 | S | S | . | . | trans | -81.7 | 97.7 | 167.1 | -174.2 | -177.3 | -177.2 | 81.8 | -2.6 | 109.3 | V767 H771 D774 | V767-R831 HydrophobicContact CG2-CB 4.37Å; V767-R831 HydrophobicContact CG2-CG 4.22Å; H771-R831 VanDerWaalsContact CB-NH1 3.31Å; D774-R831 IonicContact OD2-CZ 2.85Å; D774-R831 IonicContact OD2-NH2 2.58Å; D774-R831 PolarHBondContact OD2-NH2 3.45Å | ||
| 832 | F | 96.6 | Very high | 91.4 | Very high | 5 Ų | 5 | 48.3 Ų | 48.3 | 2% | 0.022 | 25% | 0.246 | C | C | . | . | trans | -66.1 | 147.6 | 179.5 | -67 | -72.4 | 0 | 0 | 0 | 112.8 | T765 H771 N828 V830 Q836 V837 I840 D861 V862 Q865 | T765-F832 HydrophobicContact CG2-CD2 3.88Å; T765-F832 HydrophobicContact CG2-CE2 4.36Å; T765-F832 WeakPolarHBondContact O-CD2 3.43Å; H771-F832 PolarHBondContact CE1-N 3.12Å; H771-F832 PolarHBondContact NE2-N 3.4Å; H771-F832 PolarHBondContact NE2-O 2.92Å; N828-F832 VanDerWaalsContact ND2-CE2 3.31Å; N828-F832 WeakPolarHBondContact ND2-CE2 3.44Å; V830-F832 HydrophobicContact CB-CE1 4.35Å; V830-F832 HydrophobicContact CB-CE2 4.32Å; V830-F832 HydrophobicContact CB-CZ 4.1Å; V830-F832 HydrophobicContact CG1-CD1 4.05Å; V830-F832 HydrophobicContact CG1-CE1 3.9Å; V830-F832 HydrophobicContact CG1-CG 4.44Å; V830-F832 HydrophobicContact CG1-CZ 4.16Å; V830-F832 PolarHBondContact O-N 3.11Å; F832-Q836 VanDerWaalsContact CA-OE1 3.26Å; F832-Q836 HydrophobicContact CB-CB 3.98Å; F832-Q836 HydrophobicContact CD1-CB 4.02Å; F832-Q836 HydrophobicContact CG-CB 4.44Å; F832-V837 HydrophobicContact CB-CG2 3.91Å; F832-I840 HydrophobicContact CD1-CD1 4Å; F832-I840 HydrophobicContact CD2-CD1 3.94Å; F832-I840 HydrophobicContact CE1-CD1 4.18Å; F832-I840 HydrophobicContact CE2-CD1 4.11Å; F832-I840 HydrophobicContact CG-CD1 3.89Å; F832-I840 HydrophobicContact CZ-CD1 4.24Å; F832-D861 HydrophobicContact CE1-CB 4.06Å; F832-V862 HydrophobicContact CD1-CG2 4.47Å; F832-V862 HydrophobicContact CE1-CG2 4.45Å; F832-Q865 HydrophobicContact CE2-CB 4.02Å; F832-Q865 HydrophobicContact CE2-CG 3.73Å; F832-Q865 HydrophobicContact CZ-CB 3.69Å; F832-Q865 HydrophobicContact CZ-CG 3.96Å | ||
| 833 | T | 95.9 | Very high | 92.4 | Very high | 12 Ų | 12 | 42 Ų | 42 | 7% | 0.074 | 21% | 0.207 | C | C | . | . | trans | -79.4 | 163.3 | 174.1 | 73.6 | 0 | 0 | 0 | 0 | 111.3 | A835 Q836 V837 M1162 L1184 | T833-A835 PolarHBondContact O-N 3.38Å; T833-Q836 CarbonylContact O-C 3.36Å; T833-Q836 WeakPolarHBondContact O-CA 3.49Å; T833-Q836 WeakPolarHBondContact O-CB 3.46Å; T833-Q836 PolarHBondContact O-N 3.04Å; T833-Q836 WeakPolarHBondContact OG1-CG 3.28Å; T833-Q836 PolarHBondContact OG1-N 2.78Å; T833-V837 WeakPolarHBondContact O-CG2 3.4Å; T833-V837 PolarHBondContact O-N 3.39Å; T833-M1162 HydrophobicContact CG2-CB 3.9Å; T833-M1162 HydrophobicContact CG2-CG 3.91Å; T833-L1184 HydrophobicContact CG2-CD2 3.6Å | ||
| 834 | P | 96.2 | Very high | 93.3 | Very high | 63 Ų | 63 | 41 Ų | 41 | 41% | 0.409 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -53.9 | -39.6 | 176.3 | -26.1 | 34.4 | 0 | 0 | 0 | 113.2 | D774 V837 E838 | D774-P834 WeakPolarHBondContact O-CG 3.42Å; P834-V837 PolarHBondContact O-N 3.07Å; P834-E838 PolarHBondContact O-N 3.45Å |
| 835 | A | 95.9 | Very high | 94 | Very high | 14 Ų | 14 | 32.7 Ų | 32.7 | 12% | 0.116 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -67.1 | -37.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | T833 A839 V1158 D1161 | T833-A835 PolarHBondContact O-N 3.38Å; A835-A839 WeakPolarHBondContact O-CB 3.25Å; A835-A839 PolarHBondContact O-N 3.4Å; A835-V1158 VanDerWaalsContact O-CG1 3.24Å; A835-V1158 WeakPolarHBondContact O-CG1 3.36Å; A835-D1161 WeakPolarHBondContact CB-OD1 3.38Å |
| 836 | Q | 97.5 | Very high | 94.5 | Very high | 8 Ų | 8 | 31.8 Ų | 31.8 | 4% | 0.037 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -68.1 | -38.3 | 173.7 | -69.6 | 174.4 | -31.4 | 0 | 0 | 111.4 | F832 T833 A839 I840 T857 V862 L1160 | F832-Q836 VanDerWaalsContact CA-OE1 3.26Å; F832-Q836 HydrophobicContact CB-CB 3.98Å; F832-Q836 HydrophobicContact CD1-CB 4.02Å; F832-Q836 HydrophobicContact CG-CB 4.44Å; T833-Q836 CarbonylContact O-C 3.36Å; T833-Q836 WeakPolarHBondContact O-CA 3.49Å; T833-Q836 WeakPolarHBondContact O-CB 3.46Å; T833-Q836 PolarHBondContact O-N 3.04Å; T833-Q836 WeakPolarHBondContact OG1-CG 3.28Å; T833-Q836 PolarHBondContact OG1-N 2.78Å; Q836-A839 WeakPolarHBondContact O-CB 3.28Å; Q836-A839 PolarHBondContact O-N 3Å; Q836-I840 VanDerWaalsContact O-CG1 3.27Å; Q836-I840 WeakPolarHBondContact O-CG1 3.48Å; Q836-I840 PolarHBondContact O-N 3Å; Q836-T857 PolarHBondContact NE2-O 3.26Å; Q836-V862 HydrophobicContact CB-CG2 3.81Å; Q836-V862 HydrophobicContact CG-CG2 3.71Å; Q836-L1160 HydrophobicContact CG-CD2 3.89Å |
| 837 | V | 98 | Very high | 95 | Very high | 2 Ų | 2 | 27.4 Ų | 27.4 | 1% | 0.012 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -64.1 | -42.4 | 175.1 | 171.6 | 0 | 0 | 0 | 0 | 111.2 | F762 F766 F776 F832 T833 P834 A839 I840 R841 | F762-V837 HydrophobicContact CE1-CG1 4.3Å; F766-V837 HydrophobicContact CE1-CG1 3.87Å; F766-V837 HydrophobicContact CE1-CG2 3.88Å; F766-V837 HydrophobicContact CZ-CG1 3.67Å; F766-V837 HydrophobicContact CZ-CG2 4.41Å; F776-V837 HydrophobicContact CE2-CG1 4.17Å; F776-V837 HydrophobicContact CZ-CG1 4.23Å; F832-V837 HydrophobicContact CB-CG2 3.91Å; T833-V837 WeakPolarHBondContact O-CG2 3.4Å; T833-V837 PolarHBondContact O-N 3.39Å; P834-V837 PolarHBondContact O-N 3.07Å; V837-A839 VanDerWaalsContact C-N 3.32Å; V837-A839 PolarHBondContact O-N 3.36Å; V837-I840 PolarHBondContact O-N 2.92Å; V837-R841 WeakPolarHBondContact O-CB 3.37Å; V837-R841 PolarHBondContact O-N 3.48Å |
| 838 | E | 96.4 | Very high | 95.5 | Very high | 54 Ų | 54 | 22.3 Ų | 22.3 | 25% | 0.252 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -64.7 | -36.4 | 172.7 | 178.9 | 56.5 | -153.1 | 0 | 0 | 111.8 | Y750 P834 R841 S842 V1158 | Y750-E838 PolarHBondContact OH-OE1 2.89Å; P834-E838 PolarHBondContact O-N 3.45Å; E838-R841 PolarHBondContact O-N 2.93Å; E838-R841 WeakPolarHBondContact OE2-CD 3.36Å; E838-R841 IonicContact OE2-NH1 3.15Å; E838-S842 VanDerWaalsContact O-CB 3.27Å; E838-S842 WeakPolarHBondContact O-CB 3.46Å; E838-S842 PolarHBondContact O-N 2.88Å; E838-V1158 HydrophobicContact CB-CG1 4.46Å; E838-V1158 HydrophobicContact CG-CG1 4.44Å; E838-V1158 HydrophobicContact CG-CG2 4.04Å |
| 839 | A | 98 | Very high | 95.9 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -62.5 | -43 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | A835 Q836 V837 G843 I851 V862 V1158 L1160 | A835-A839 WeakPolarHBondContact O-CB 3.25Å; A835-A839 PolarHBondContact O-N 3.4Å; Q836-A839 WeakPolarHBondContact O-CB 3.28Å; Q836-A839 PolarHBondContact O-N 3Å; V837-A839 VanDerWaalsContact C-N 3.32Å; V837-A839 PolarHBondContact O-N 3.36Å; A839-G843 PolarHBondContact O-N 3.09Å; A839-I851 HydrophobicContact CB-CD1 3.78Å; A839-I851 HydrophobicContact CB-CG1 3.88Å; A839-I851 HydrophobicContact CB-CG2 4.26Å; A839-V862 HydrophobicContact CB-CG1 3.9Å; A839-V1158 HydrophobicContact CB-CB 4.25Å; A839-V1158 HydrophobicContact CB-CG1 3.93Å; A839-L1160 HydrophobicContact CB-CD2 4.08Å |
| 840 | I | 98.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -64.6 | -48.9 | 176 | -67.3 | 161.8 | 0 | 0 | 0 | 110.4 | F762 T765 F832 Q836 V837 S842 G843 M844 V862 Q865 I866 N869 | F762-I840 HydrophobicContact CD1-CG2 4.48Å; F762-I840 HydrophobicContact CE1-CG2 4.47Å; T765-I840 HydrophobicContact CG2-CD1 3.77Å; T765-I840 HydrophobicContact CG2-CG2 4.37Å; F832-I840 HydrophobicContact CD1-CD1 4Å; F832-I840 HydrophobicContact CD2-CD1 3.94Å; F832-I840 HydrophobicContact CE1-CD1 4.18Å; F832-I840 HydrophobicContact CE2-CD1 4.11Å; F832-I840 HydrophobicContact CG-CD1 3.89Å; F832-I840 HydrophobicContact CZ-CD1 4.24Å; Q836-I840 VanDerWaalsContact O-CG1 3.27Å; Q836-I840 WeakPolarHBondContact O-CG1 3.48Å; Q836-I840 PolarHBondContact O-N 3Å; V837-I840 PolarHBondContact O-N 2.92Å; I840-S842 PolarHBondContact O-N 3.16Å; I840-G843 PolarHBondContact O-N 2.82Å; I840-M844 HydrophobicContact CG2-CG 4.48Å; I840-M844 HydrophobicContact CG2-SD 3.75Å; I840-M844 VanDerWaalsContact O-CG 3.26Å; I840-M844 WeakPolarHBondContact O-CG 3.4Å; I840-M844 PolarHBondContact O-N 2.86Å; I840-V862 HydrophobicContact CG1-CG1 4.13Å; I840-Q865 HydrophobicContact CD1-CB 4Å; I840-Q865 HydrophobicContact CD1-CG 3.85Å; I840-Q865 HydrophobicContact CG1-CB 4.34Å; I840-Q865 HydrophobicContact CG1-CG 4.43Å; I840-Q865 HydrophobicContact CG2-CG 4.45Å; I840-I866 HydrophobicContact CB-CG1 4.33Å; I840-I866 HydrophobicContact CG1-CG1 4.19Å; I840-I866 HydrophobicContact CG2-CG1 4.42Å; I840-N869 WeakPolarHBondContact CG2-ND2 3.35Å |
| 841 | R | 96.7 | Very high | 96.9 | Very high | 3 Ų | 3 | 14.1 Ų | 14.1 | 1% | 0.011 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -54.4 | -51 | 175.9 | -178.3 | -174.2 | 176.7 | -163.9 | -2.1 | 111.3 | L760 F762 I799 E801 V837 E838 M844 Q845 | L760-R841 HydrophobicContact CD1-CG 3.73Å; F762-R841 HydrophobicContact CE1-CB 4.15Å; F762-R841 HydrophobicContact CZ-CB 3.88Å; F762-R841 HydrophobicContact CZ-CG 4.05Å; I799-R841 VanDerWaalsContact CG2-NH2 3.27Å; E801-R841 IonicContact OE1-CZ 3.68Å; E801-R841 IonicContact OE1-NH1 3.89Å; E801-R841 PolarHBondContact OE1-NH1 3.48Å; E801-R841 VanDerWaalsContact OE1-NH1 3.14Å; E801-R841 IonicContact OE1-NH2 3.62Å; E801-R841 PolarHBondContact OE1-NH2 2.88Å; V837-R841 WeakPolarHBondContact O-CB 3.37Å; V837-R841 PolarHBondContact O-N 3.48Å; E838-R841 PolarHBondContact O-N 2.93Å; E838-R841 WeakPolarHBondContact OE2-CD 3.36Å; E838-R841 IonicContact OE2-NH1 3.15Å; R841-M844 PolarHBondContact O-N 2.68Å; R841-Q845 WeakPolarHBondContact O-CG 3.09Å; R841-Q845 PolarHBondContact O-N 3.34Å |
| 842 | S | 96.9 | Very high | 97.1 | Very high | 2 Ų | 2 | 9 Ų | 9 | 1% | 0.014 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -60.5 | -46.4 | 178.8 | -173.3 | 0 | 0 | 0 | 0 | 110.8 | E838 I840 M844 Q845 T849 | E838-S842 VanDerWaalsContact O-CB 3.27Å; E838-S842 WeakPolarHBondContact O-CB 3.46Å; E838-S842 PolarHBondContact O-N 2.88Å; I840-S842 PolarHBondContact O-N 3.16Å; S842-M844 VanDerWaalsContact C-N 3.25Å; S842-M844 PolarHBondContact O-N 2.9Å; S842-Q845 WeakPolarHBondContact O-CB 3.28Å; S842-Q845 PolarHBondContact O-N 3.27Å; S842-T849 VanDerWaalsContact C-OG1 3.22Å; S842-T849 PolarHBondContact O-OG1 3.17Å; S842-T849 VanDerWaalsContact OG-CG2 3.3Å; S842-T849 WeakPolarHBondContact OG-CG2 3.5Å; S842-T849 PolarHBondContact OG-OG1 3.43Å |
| 843 | G | 97.4 | Very high | 97 | Very high | 0 Ų | 0 | 8.7 Ų | 8.7 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -66.1 | -22 | -180 | 0 | 0 | 0 | 0 | 0 | 114.9 | A839 I840 R1117 | A839-G843 PolarHBondContact O-N 3.09Å; I840-G843 PolarHBondContact O-N 2.82Å; G843-R1117 WeakPolarHBondContact O-CD 3.32Å |
| 844 | M | 97.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 8.3 Ų | 8.3 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -82.6 | -18.5 | 172.9 | -68.9 | 165.2 | 64.5 | 0 | 0 | 113.4 | L760 D761 F762 I840 R841 S842 N869 N873 R1117 | L760-M844 HydrophobicContact CB-CE 4.21Å; L760-M844 HydrophobicContact CD2-CE 4.4Å; D761-M844 WeakPolarHBondContact O-CE 3.43Å; F762-M844 HydrophobicContact CD1-SD 4.39Å; F762-M844 HydrophobicContact CE1-SD 4.41Å; I840-M844 HydrophobicContact CG2-CG 4.48Å; I840-M844 HydrophobicContact CG2-SD 3.75Å; I840-M844 VanDerWaalsContact O-CG 3.26Å; I840-M844 WeakPolarHBondContact O-CG 3.4Å; I840-M844 PolarHBondContact O-N 2.86Å; R841-M844 PolarHBondContact O-N 2.68Å; S842-M844 VanDerWaalsContact C-N 3.25Å; S842-M844 PolarHBondContact O-N 2.9Å; M844-N869 HydrophobicContact CE-CB 3.93Å; M844-N869 HydrophobicContact CG-CB 3.98Å; M844-N869 HydrophobicContact SD-CB 3.72Å; M844-N869 PolarHBondContact SD-ND2 2.81Å; M844-N873 WeakPolarHBondContact CE-ND2 3.45Å; M844-R1117 PolarHBondContact O-NE 2.91Å; M844-R1117 PolarHBondContact O-NH2 3.22Å |
| 845 | Q | 96.4 | Very high | 96.7 | Very high | 2 Ų | 2 | 5.3 Ų | 5.3 | 1% | 0.009 | 3% | 0.03 | C | C | . | . | S | Bend | trans | -85.3 | 154.1 | 178.8 | -69.2 | -76.3 | 4.1 | 0 | 0 | 111.7 | Y750 Q757 L760 R841 S842 R1117 | Y750-Q845 HydrophobicContact CD1-CB 4.17Å; Y750-Q845 HydrophobicContact CD1-CG 4.37Å; Y750-Q845 HydrophobicContact CD2-CB 4.25Å; Y750-Q845 HydrophobicContact CD2-CG 3.95Å; Y750-Q845 HydrophobicContact CG-CB 3.7Å; Y750-Q845 HydrophobicContact CG-CG 3.88Å; Q757-Q845 PolarHBondContact O-NE2 3.46Å; L760-Q845 HydrophobicContact CD1-CG 4.48Å; R841-Q845 WeakPolarHBondContact O-CG 3.09Å; R841-Q845 PolarHBondContact O-N 3.34Å; S842-Q845 WeakPolarHBondContact O-CB 3.28Å; S842-Q845 PolarHBondContact O-N 3.27Å; Q845-R1117 WeakPolarHBondContact O-CD 3.41Å; Q845-R1117 VanDerWaalsContact O-CG 3.32Å; Q845-R1117 WeakPolarHBondContact O-CG 3.04Å; Q845-R1117 PolarHBondContact O-NE 2.92Å |
| 846 | P | 95.7 | Very high | 96.6 | Very high | 14 Ų | 14 | 5.2 Ų | 5.2 | 9% | 0.091 | 3% | 0.03 | C | C | . | . | S | Bend | trans | -65.6 | 150.1 | 172.3 | 28.1 | -32.8 | 0 | 0 | 0 | 112.3 | Y750 M753 K755 K1116 | Y750-P846 WeakPolarHBondContact CB-O 3.46Å; M753-P846 HydrophobicContact CE-CB 4.41Å; K755-P846 HydrophobicContact CB-CG 4.33Å; K755-P846 WeakPolarHBondContact O-CG 3.42Å; P846-K1116 WeakPolarHBondContact CA-O 3.47Å |
| 847 | G | 96 | Very high | 96.5 | Very high | 1 Ų | 1 | 4.9 Ų | 4.9 | 1% | 0.01 | 3% | 0.029 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 113.1 | -156.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114 | A748 K1116 R1117 W1118 | A748-G847 CarbonylContact O-C 3.58Å; A748-G847 WeakPolarHBondContact O-CA 3.31Å; G847-K1116 PolarHBondContact N-O 3.12Å; G847-R1117 WeakPolarHBondContact O-CA 3.41Å; G847-W1118 PolarHBondContact O-N 2.9Å |
| 848 | L | 97.2 | Very high | 96.2 | Very high | 1 Ų | 1 | 5.6 Ų | 5.6 | 1% | 0.005 | 4% | 0.036 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 123.4 | 178.2 | 175 | 59.2 | 0 | 0 | 0 | 110.4 | W734 L735 V738 A748 W1118 L1120 L1150 V1155 | W734-L848 HydrophobicContact CZ3-CB 4.12Å; L735-L848 HydrophobicContact CD1-CD2 4.18Å; V738-L848 HydrophobicContact CG1-CD2 4.34Å; A748-L848 HydrophobicContact CB-CB 3.71Å; A748-L848 HydrophobicContact CB-CD2 4.27Å; A748-L848 PolarHBondContact O-N 2.97Å; L848-W1118 WeakPolarHBondContact CA-O 3.46Å; L848-W1118 HydrophobicContact CD1-CB 4.38Å; L848-W1118 HydrophobicContact CD1-CD2 4.04Å; L848-W1118 HydrophobicContact CD1-CE3 3.69Å; L848-W1118 HydrophobicContact CD1-CG 4.35Å; L848-W1118 HydrophobicContact CD1-CZ3 4.29Å; L848-L1120 HydrophobicContact CD1-CD1 4.21Å; L848-L1120 HydrophobicContact CD1-CG 4.46Å; L848-L1150 HydrophobicContact CD2-CD1 4.2Å; L848-L1150 HydrophobicContact CD2-CD2 4.35Å; L848-V1155 HydrophobicContact CD2-CG1 3.77Å; L848-V1155 HydrophobicContact CG-CG1 4.33Å |
| 849 | T | 98.3 | Very high | 96.2 | Very high | 4 Ų | 4 | 4 Ų | 4 | 3% | 0.025 | 3% | 0.028 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 123.5 | 174.2 | -64.1 | 0 | 0 | 0 | 0 | 109.6 | S842 I851 W1118 I1119 L1120 | S842-T849 VanDerWaalsContact C-OG1 3.22Å; S842-T849 PolarHBondContact O-OG1 3.17Å; S842-T849 VanDerWaalsContact OG-CG2 3.3Å; S842-T849 WeakPolarHBondContact OG-CG2 3.5Å; S842-T849 PolarHBondContact OG-OG1 3.43Å; T849-I851 HydrophobicContact CG2-CD1 3.95Å; T849-I851 HydrophobicContact CG2-CG1 3.9Å; T849-W1118 PolarHBondContact N-O 3.17Å; T849-I1119 HydrophobicContact CG2-CG2 4.26Å; T849-L1120 PolarHBondContact O-N 3.27Å |
| 850 | L | 98 | Very high | 96 | Very high | 1 Ų | 1 | 5.6 Ų | 5.6 | 1% | 0.005 | 4% | 0.038 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 119.9 | 176.9 | -165.3 | 67.1 | 0 | 0 | 0 | 109.7 | L1120 F1147 L1150 V1151 R1157 V1158 | L850-L1120 HydrophobicContact CD1-CB 3.81Å; L850-L1120 HydrophobicContact CD1-CD1 4.22Å; L850-F1147 HydrophobicContact CD1-CD2 3.28Å; L850-F1147 HydrophobicContact CD1-CE2 3.24Å; L850-F1147 HydrophobicContact CD1-CG 4.03Å; L850-F1147 HydrophobicContact CD1-CZ 3.95Å; L850-F1147 HydrophobicContact CG-CD2 4.37Å; L850-F1147 HydrophobicContact CG-CE2 3.91Å; L850-F1147 HydrophobicContact CG-CZ 4.22Å; L850-L1150 HydrophobicContact CD2-CB 4.35Å; L850-V1151 HydrophobicContact CD2-CB 4.46Å; L850-V1151 HydrophobicContact CD2-CG2 3.5Å; L850-V1151 HydrophobicContact CG-CG2 4.41Å; L850-R1157 HydrophobicContact CB-CB 3.85Å; L850-R1157 HydrophobicContact CD2-CB 3.86Å; L850-R1157 HydrophobicContact CG-CB 3.99Å; L850-R1157 CarbonylContact O-C 3.52Å; L850-R1157 WeakPolarHBondContact O-CA 3.33Å; L850-R1157 WeakPolarHBondContact O-CB 3.44Å; L850-V1158 PolarHBondContact O-N 3.32Å |
| 851 | I | 98.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 7.5 Ų | 7.5 | 0% | 0 | 5% | 0.048 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 114.8 | -179.5 | -60.9 | 160.3 | 0 | 0 | 0 | 108.7 | A839 T849 V862 I866 I1119 L1120 I1121 G1122 F1147 V1158 L1160 | A839-I851 HydrophobicContact CB-CD1 3.78Å; A839-I851 HydrophobicContact CB-CG1 3.88Å; A839-I851 HydrophobicContact CB-CG2 4.26Å; T849-I851 HydrophobicContact CG2-CD1 3.95Å; T849-I851 HydrophobicContact CG2-CG1 3.9Å; I851-V862 HydrophobicContact CD1-CG1 4.16Å; I851-I866 HydrophobicContact CD1-CD1 4.02Å; I851-I1119 HydrophobicContact CD1-CG2 4.08Å; I851-L1120 PolarHBondContact N-O 2.87Å; I851-I1121 HydrophobicContact CB-CG1 4.09Å; I851-I1121 HydrophobicContact CB-CG2 4.43Å; I851-I1121 HydrophobicContact CD1-CD1 4.23Å; I851-I1121 HydrophobicContact CD1-CG1 3.85Å; I851-I1121 HydrophobicContact CG1-CG1 4.49Å; I851-I1121 HydrophobicContact CG2-CG2 4.36Å; I851-I1121 WeakPolarHBondContact O-CA 3.41Å; I851-G1122 PolarHBondContact O-N 2.81Å; I851-F1147 WeakPolarHBondContact O-CZ 3.34Å; I851-V1158 WeakPolarHBondContact CA-O 3.44Å; I851-L1160 HydrophobicContact CG2-CD1 4.08Å; I851-L1160 HydrophobicContact CG2-CD2 4.09Å; I851-L1160 HydrophobicContact CG2-CG 3.96Å |
| 852 | V | 97.1 | Very high | 95.9 | Very high | 2 Ų | 2 | 7.3 Ų | 7.3 | 1% | 0.012 | 5% | 0.048 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 112.1 | 171.4 | 178.4 | 0 | 0 | 0 | 0 | 108.3 | P854 G1122 F1147 R1157 V1158 L1160 | V852-P854 WeakPolarHBondContact O-CD 3.28Å; V852-G1122 VanDerWaalsContact CA-O 3.3Å; V852-G1122 WeakPolarHBondContact CA-O 3.24Å; V852-F1147 HydrophobicContact CG2-CE1 4.12Å; V852-F1147 HydrophobicContact CG2-CZ 3.8Å; V852-R1157 HydrophobicContact CG2-CG 4.31Å; V852-V1158 PolarHBondContact N-O 2.66Å; V852-L1160 PolarHBondContact O-N 2.91Å |
| 853 | G | 95 | Very high | 95.9 | Very high | 0 Ų | 0 | 7.2 Ų | 7.2 | 0% | 0 | 5% | 0.047 | C | C | . | . | trans | -115 | 99.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | T857 K859 G1122 | G853-T857 WeakPolarHBondContact CA-OG1 3.47Å; G853-K859 WeakPolarHBondContact O-CD 3.44Å; G853-K859 PolarHBondContact O-NZ 3.49Å; G853-G1122 PolarHBondContact N-O 3.3Å | ||
| 854 | P | 94.6 | Very high | 95.9 | Very high | 3 Ų | 3 | 7.4 Ų | 7.4 | 2% | 0.019 | 5% | 0.048 | C | C | . | . | trans | -54.1 | 166.8 | 171.6 | -22.8 | 31.4 | 0 | 0 | 0 | 113 | V852 G856 T857 L1160 Y1178 L1181 | V852-P854 WeakPolarHBondContact O-CD 3.28Å; P854-G856 PolarHBondContact O-N 3.34Å; P854-T857 HydrophobicContact CB-CG2 3.77Å; P854-T857 HydrophobicContact CG-CG2 4.04Å; P854-T857 WeakPolarHBondContact O-CG2 3.18Å; P854-T857 PolarHBondContact O-N 3.23Å; P854-T857 PolarHBondContact O-OG1 3Å; P854-L1160 VanDerWaalsContact CD-O 3.27Å; P854-L1160 WeakPolarHBondContact CD-O 3.25Å; P854-L1160 WeakPolarHBondContact CG-O 3.36Å; P854-Y1178 HydrophobicContact CB-CD1 3.78Å; P854-Y1178 HydrophobicContact CB-CD2 4.17Å; P854-Y1178 HydrophobicContact CB-CE1 3.7Å; P854-Y1178 HydrophobicContact CB-CE2 4.13Å; P854-Y1178 HydrophobicContact CB-CG 3.99Å; P854-Y1178 HydrophobicContact CG-CD1 3.44Å; P854-Y1178 VanDerWaalsContact CG-CD1 3.44Å; P854-Y1178 HydrophobicContact CG-CD2 4.49Å; P854-Y1178 HydrophobicContact CG-CE1 3.77Å; P854-Y1178 HydrophobicContact CG-CG 3.82Å; P854-L1181 HydrophobicContact CB-CD1 4.09Å; P854-L1181 HydrophobicContact CB-CD2 3.89Å; P854-L1181 HydrophobicContact CG-CD1 4.15Å; P854-L1181 HydrophobicContact CG-CD2 4.48Å | ||
| 855 | P | 92.5 | Very high | 95.9 | Very high | 1 Ų | 1 | 7.5 Ų | 7.5 | 1% | 0.006 | 5% | 0.049 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | 130.3 | 175.6 | -22.9 | 31.2 | 0 | 0 | 0 | 112.2 | T857 Y1174 Y1178 | P855-T857 VanDerWaalsContact C-N 3.35Å; P855-T857 PolarHBondContact O-N 3.42Å; P855-Y1174 HydrophobicContact CB-CE2 4.22Å; P855-Y1174 HydrophobicContact CG-CD2 4.4Å; P855-Y1174 HydrophobicContact CG-CE2 4.18Å; P855-Y1178 WeakPolarHBondContact CD-OH 3.35Å |
| 856 | G | 92.2 | Very high | 96 | Very high | 11 Ų | 11 | 7.4 Ų | 7.4 | 11% | 0.113 | 5% | 0.048 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.3 | 8.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | P854 G1164 | P854-G856 PolarHBondContact O-N 3.34Å; G856-G1164 PolarHBondContact O-N 2.86Å |
| 857 | T | 95.3 | Very high | 96.1 | Very high | 2 Ų | 2 | 6.7 Ų | 6.7 | 1% | 0.012 | 4% | 0.044 | C | C | . | . | S | Bend | trans | -91.2 | 11 | -176.7 | 58.8 | 0 | 0 | 0 | 0 | 115.1 | Q836 G853 P854 P855 L1160 M1162 Q1163 L1181 | Q836-T857 PolarHBondContact NE2-O 3.26Å; G853-T857 WeakPolarHBondContact CA-OG1 3.47Å; P854-T857 HydrophobicContact CB-CG2 3.77Å; P854-T857 HydrophobicContact CG-CG2 4.04Å; P854-T857 WeakPolarHBondContact O-CG2 3.18Å; P854-T857 PolarHBondContact O-N 3.23Å; P854-T857 PolarHBondContact O-OG1 3Å; P855-T857 VanDerWaalsContact C-N 3.35Å; P855-T857 PolarHBondContact O-N 3.42Å; T857-L1160 HydrophobicContact CG2-CB 4.24Å; T857-L1160 WeakPolarHBondContact O-CD1 3.27Å; T857-M1162 WeakPolarHBondContact CA-O 3.38Å; T857-Q1163 HydrophobicContact CG2-CB 4.36Å; T857-L1181 HydrophobicContact CG2-CD1 3.75Å |
| 858 | G | 93.6 | Very high | 96.1 | Very high | 17 Ų | 17 | 6.7 Ų | 6.7 | 18% | 0.175 | 4% | 0.043 | C | C | . | . | trans | 77 | 32.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 116 | T860 D861 V862 | G858-T860 VanDerWaalsContact C-N 3.33Å; G858-T860 PolarHBondContact O-N 2.84Å; G858-D861 PolarHBondContact O-N 2.74Å; G858-D861 VanDerWaalsContact O-N 3.15Å; G858-V862 WeakPolarHBondContact O-CG2 3.38Å; G858-V862 PolarHBondContact O-N 2.79Å | ||
| 859 | K | 94.7 | Very high | 96.1 | Very high | 20 Ų | 20 | 6.6 Ų | 6.6 | 9% | 0.087 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -48.2 | -51.1 | 177.4 | -73.9 | -167.4 | -69.6 | -78.2 | 0 | 113.4 | G853 D861 V862 A863 E1090 I1121 L1160 | G853-K859 WeakPolarHBondContact O-CD 3.44Å; G853-K859 PolarHBondContact O-NZ 3.49Å; K859-D861 VanDerWaalsContact C-N 3.34Å; K859-V862 PolarHBondContact O-N 3.03Å; K859-A863 WeakPolarHBondContact O-CB 3.32Å; K859-A863 PolarHBondContact O-N 2.94Å; K859-E1090 WeakPolarHBondContact CE-OE1 3.41Å; K859-E1090 IonicContact NZ-OE1 2.74Å; K859-I1121 HydrophobicContact CB-CG2 3.93Å; K859-I1121 HydrophobicContact CD-CG2 3.87Å; K859-I1121 HydrophobicContact CG-CG2 3.92Å; K859-L1160 HydrophobicContact CG-CD1 4.41Å |
| 860 | T | 93.6 | Very high | 96.1 | Very high | 34 Ų | 34 | 6.5 Ų | 6.5 | 21% | 0.209 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -67.8 | -35.3 | -177.4 | -43.5 | 0 | 0 | 0 | 0 | 111.5 | G858 A863 A864 L892 K895 E1089 | G858-T860 VanDerWaalsContact C-N 3.33Å; G858-T860 PolarHBondContact O-N 2.84Å; T860-A863 PolarHBondContact O-N 2.82Å; T860-A864 WeakPolarHBondContact O-CB 3.47Å; T860-A864 PolarHBondContact O-N 3.45Å; T860-L892 HydrophobicContact CG2-CB 4.02Å; T860-L892 HydrophobicContact CG2-CD1 3.83Å; T860-K895 HydrophobicContact CG2-CG 4.11Å; T860-E1089 WeakPolarHBondContact CA-OE1 3.3Å; T860-E1089 WeakPolarHBondContact CB-OE1 3.27Å; T860-E1089 PolarHBondContact OG1-OE1 2.77Å |
| 861 | D | 95.6 | Very high | 96 | Very high | 39 Ų | 39 | 8.2 Ų | 8.2 | 21% | 0.209 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -68 | -43.2 | 176.1 | -54.1 | -71.6 | 0 | 0 | 0 | 111.2 | F832 G858 K859 A863 A864 Q865 K895 | F832-D861 HydrophobicContact CE1-CB 4.06Å; G858-D861 PolarHBondContact O-N 2.74Å; G858-D861 VanDerWaalsContact O-N 3.15Å; K859-D861 VanDerWaalsContact C-N 3.34Å; D861-A863 PolarHBondContact O-N 3.1Å; D861-A864 PolarHBondContact O-N 2.94Å; D861-Q865 PolarHBondContact O-N 3.01Å; D861-K895 WeakPolarHBondContact OD1-CE 2.92Å; D861-K895 IonicContact OD1-NZ 2.68Å; D861-K895 PolarHBondContact OD1-NZ 3.43Å |
| 862 | V | 97.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 10.3 Ų | 10.3 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -60.2 | -45 | 173 | 169.5 | 0 | 0 | 0 | 0 | 111.1 | F832 Q836 A839 I840 I851 G858 K859 Q865 I866 L1160 | F832-V862 HydrophobicContact CD1-CG2 4.47Å; F832-V862 HydrophobicContact CE1-CG2 4.45Å; Q836-V862 HydrophobicContact CB-CG2 3.81Å; Q836-V862 HydrophobicContact CG-CG2 3.71Å; A839-V862 HydrophobicContact CB-CG1 3.9Å; I840-V862 HydrophobicContact CG1-CG1 4.13Å; I851-V862 HydrophobicContact CD1-CG1 4.16Å; G858-V862 WeakPolarHBondContact O-CG2 3.38Å; G858-V862 PolarHBondContact O-N 2.79Å; K859-V862 PolarHBondContact O-N 3.03Å; V862-Q865 PolarHBondContact O-N 2.77Å; V862-I866 HydrophobicContact CG1-CD1 3.84Å; V862-I866 VanDerWaalsContact O-CG1 3.29Å; V862-I866 WeakPolarHBondContact O-CG1 3.49Å; V862-I866 PolarHBondContact O-N 2.77Å; V862-L1160 HydrophobicContact CG2-CD1 4.42Å |
| 863 | A | 97.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 11.9 Ų | 11.9 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -60.3 | -47.7 | 178 | 0 | 0 | 0 | 0 | 0 | 111.9 | K859 T860 D861 Q865 I866 I867 L892 L1087 I1121 | K859-A863 WeakPolarHBondContact O-CB 3.32Å; K859-A863 PolarHBondContact O-N 2.94Å; T860-A863 PolarHBondContact O-N 2.82Å; D861-A863 PolarHBondContact O-N 3.1Å; A863-Q865 PolarHBondContact O-N 3.35Å; A863-I866 PolarHBondContact O-N 3.03Å; A863-I867 VanDerWaalsContact O-CG1 3.29Å; A863-I867 WeakPolarHBondContact O-CG1 3.33Å; A863-I867 PolarHBondContact O-N 2.93Å; A863-I867 VanDerWaalsContact O-N 3.1Å; A863-L892 HydrophobicContact CB-CD1 3.74Å; A863-L1087 HydrophobicContact CB-CD1 4.08Å; A863-L1087 HydrophobicContact CB-CD2 4.1Å; A863-I1121 HydrophobicContact CB-CD1 3.55Å |
| 864 | A | 96.6 | Very high | 95.8 | Very high | 3 Ų | 3 | 13.7 Ų | 13.7 | 3% | 0.025 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -62.5 | -41.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | T860 D861 I867 N868 L892 K895 I896 L899 | T860-A864 WeakPolarHBondContact O-CB 3.47Å; T860-A864 PolarHBondContact O-N 3.45Å; D861-A864 PolarHBondContact O-N 2.94Å; A864-I867 PolarHBondContact O-N 3.02Å; A864-N868 PolarHBondContact O-N 3.29Å; A864-L892 HydrophobicContact CB-CD1 4.38Å; A864-K895 HydrophobicContact CB-CB 3.98Å; A864-I896 HydrophobicContact CB-CG1 4.27Å; A864-L899 HydrophobicContact CB-CD1 3.75Å; A864-L899 WeakPolarHBondContact O-CD1 3.47Å |
| 865 | Q | 97.8 | Very high | 95.8 | Very high | 2 Ų | 2 | 17.3 Ų | 17.3 | 1% | 0.009 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -66.8 | -39.3 | 177.4 | -166.7 | 64.3 | 40.6 | 0 | 0 | 112.6 | D764 T765 F832 I840 D861 V862 A863 I867 N868 N869 | D764-Q865 PolarHBondContact OD1-NE2 2.96Å; T765-Q865 HydrophobicContact CG2-CG 4.3Å; T765-Q865 PolarHBondContact OG1-NE2 3.01Å; F832-Q865 HydrophobicContact CE2-CB 4.02Å; F832-Q865 HydrophobicContact CE2-CG 3.73Å; F832-Q865 HydrophobicContact CZ-CB 3.69Å; F832-Q865 HydrophobicContact CZ-CG 3.96Å; I840-Q865 HydrophobicContact CD1-CB 4Å; I840-Q865 HydrophobicContact CD1-CG 3.85Å; I840-Q865 HydrophobicContact CG1-CB 4.34Å; I840-Q865 HydrophobicContact CG1-CG 4.43Å; I840-Q865 HydrophobicContact CG2-CG 4.45Å; D861-Q865 PolarHBondContact O-N 3.01Å; V862-Q865 PolarHBondContact O-N 2.77Å; A863-Q865 PolarHBondContact O-N 3.35Å; Q865-I867 VanDerWaalsContact C-N 3.3Å; Q865-I867 PolarHBondContact O-N 3.35Å; Q865-N868 PolarHBondContact O-N 2.92Å; Q865-N869 PolarHBondContact NE2-OD1 3.4Å; Q865-N869 VanDerWaalsContact O-CG 3.26Å; Q865-N869 PolarHBondContact O-N 3.32Å; Q865-N869 PolarHBondContact O-OD1 2.97Å |
| 866 | I | 98.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -57.9 | -46.5 | 173.1 | -70.5 | 164.4 | 0 | 0 | 0 | 110.1 | I840 I851 V862 A863 N868 N869 L870 L1087 I1119 | I840-I866 HydrophobicContact CB-CG1 4.33Å; I840-I866 HydrophobicContact CG1-CG1 4.19Å; I840-I866 HydrophobicContact CG2-CG1 4.42Å; I851-I866 HydrophobicContact CD1-CD1 4.02Å; V862-I866 HydrophobicContact CG1-CD1 3.84Å; V862-I866 VanDerWaalsContact O-CG1 3.29Å; V862-I866 WeakPolarHBondContact O-CG1 3.49Å; V862-I866 PolarHBondContact O-N 2.77Å; A863-I866 PolarHBondContact O-N 3.03Å; I866-N868 PolarHBondContact O-N 3.45Å; I866-N869 PolarHBondContact O-N 2.96Å; I866-L870 HydrophobicContact CG2-CD1 3.78Å; I866-L870 HydrophobicContact CG2-CG 4.24Å; I866-L870 WeakPolarHBondContact O-CB 3.36Å; I866-L870 WeakPolarHBondContact O-CG 3.11Å; I866-L870 PolarHBondContact O-N 2.99Å; I866-L1087 HydrophobicContact CB-CD1 4.45Å; I866-L1087 HydrophobicContact CG2-CD1 4.29Å; I866-I1119 HydrophobicContact CD1-CG2 4.24Å |
| 867 | I | 97.7 | Very high | 96 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -61.9 | -44.4 | 178.5 | -64.6 | 165.1 | 0 | 0 | 0 | 110.4 | A863 A864 Q865 L870 Y871 T879 V881 I896 I901 V1061 L1087 | A863-I867 VanDerWaalsContact O-CG1 3.29Å; A863-I867 WeakPolarHBondContact O-CG1 3.33Å; A863-I867 PolarHBondContact O-N 2.93Å; A863-I867 VanDerWaalsContact O-N 3.1Å; A864-I867 PolarHBondContact O-N 3.02Å; Q865-I867 VanDerWaalsContact C-N 3.3Å; Q865-I867 PolarHBondContact O-N 3.35Å; I867-L870 PolarHBondContact O-N 2.97Å; I867-Y871 VanDerWaalsContact O-CB 3.29Å; I867-Y871 WeakPolarHBondContact O-CB 3.41Å; I867-Y871 PolarHBondContact O-N 3Å; I867-T879 HydrophobicContact CG1-CG2 4.28Å; I867-V881 HydrophobicContact CD1-CG2 3.59Å; I867-V881 HydrophobicContact CG1-CG2 4.37Å; I867-I896 HydrophobicContact CD1-CD1 3.51Å; I867-I896 HydrophobicContact CD1-CG1 4.12Å; I867-I896 HydrophobicContact CG2-CD1 4.45Å; I867-I901 HydrophobicContact CG2-CD1 3.94Å; I867-V1061 HydrophobicContact CG2-CG1 3.9Å; I867-V1061 HydrophobicContact CG2-CG2 3.79Å; I867-L1087 HydrophobicContact CD1-CD1 4.27Å; I867-L1087 HydrophobicContact CG1-CD1 4.07Å |
| 868 | N | 97 | Very high | 96 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -59.5 | -47.6 | 177.6 | -173.3 | 64.8 | 0 | 0 | 0 | 112.4 | D763 D764 A864 Q865 I866 Y871 H872 L899 I901 | D763-N868 PolarHBondContact OD2-ND2 3.43Å; D764-N868 PolarHBondContact OD1-ND2 3.31Å; A864-N868 PolarHBondContact O-N 3.29Å; Q865-N868 PolarHBondContact O-N 2.92Å; I866-N868 PolarHBondContact O-N 3.45Å; N868-Y871 PolarHBondContact O-N 3.25Å; N868-H872 PolarHBondContact O-N 3.47Å; N868-H872 VanDerWaalsContact O-N 3.14Å; N868-H872 PolarHBondContact O-ND1 3.2Å; N868-H872 PolarHBondContact OD1-CE1 3.17Å; N868-H872 PolarHBondContact OD1-ND1 3.19Å; N868-L899 HydrophobicContact CB-CD1 3.89Å; N868-I901 HydrophobicContact CB-CD1 4.42Å |
| 869 | N | 97.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -66.3 | -41.1 | 178.6 | -64.6 | 2.9 | 0 | 0 | 0 | 111.2 | T765 I840 M844 Q865 I866 Y871 H872 N873 | T765-N869 PolarHBondContact OG1-ND2 3.31Å; T765-N869 PolarHBondContact OG1-OD1 2.86Å; I840-N869 WeakPolarHBondContact CG2-ND2 3.35Å; M844-N869 HydrophobicContact CE-CB 3.93Å; M844-N869 HydrophobicContact CG-CB 3.98Å; M844-N869 HydrophobicContact SD-CB 3.72Å; M844-N869 PolarHBondContact SD-ND2 2.81Å; Q865-N869 PolarHBondContact NE2-OD1 3.4Å; Q865-N869 VanDerWaalsContact O-CG 3.26Å; Q865-N869 PolarHBondContact O-N 3.32Å; Q865-N869 PolarHBondContact O-OD1 2.97Å; I866-N869 PolarHBondContact O-N 2.96Å; N869-Y871 VanDerWaalsContact C-N 3.32Å; N869-Y871 PolarHBondContact O-N 2.62Å; N869-H872 PolarHBondContact O-N 3.14Å; N869-N873 WeakPolarHBondContact O-CB 3.27Å; N869-N873 PolarHBondContact O-N 2.87Å; N869-N873 PolarHBondContact O-OD1 3.33Å |
| 870 | L | 97.3 | Very high | 96.3 | Very high | 2 Ų | 2 | 21.3 Ų | 21.3 | 1% | 0.01 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -62.4 | -40.4 | 176.6 | -72.4 | 174.8 | 0 | 0 | 0 | 112 | I866 I867 W874 N1085 | I866-L870 HydrophobicContact CG2-CD1 3.78Å; I866-L870 HydrophobicContact CG2-CG 4.24Å; I866-L870 WeakPolarHBondContact O-CB 3.36Å; I866-L870 WeakPolarHBondContact O-CG 3.11Å; I866-L870 PolarHBondContact O-N 2.99Å; I867-L870 PolarHBondContact O-N 2.97Å; L870-W874 HydrophobicContact CD2-CE3 3.78Å; L870-W874 HydrophobicContact CD2-CZ3 3.72Å; L870-W874 PolarHBondContact O-N 3.35Å; L870-W874 VanDerWaalsContact O-N 3.08Å; L870-N1085 HydrophobicContact CD1-CB 4.12Å |
| 871 | Y | 96.7 | Very high | 96.4 | Very high | 37 Ų | 37 | 19.8 Ų | 19.8 | 15% | 0.145 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -64.1 | -44 | 179.6 | 172.2 | -100.5 | 0 | 0 | 0 | 112.5 | I867 N868 N869 P875 I901 H905 K1060 | I867-Y871 VanDerWaalsContact O-CB 3.29Å; I867-Y871 WeakPolarHBondContact O-CB 3.41Å; I867-Y871 PolarHBondContact O-N 3Å; N868-Y871 PolarHBondContact O-N 3.25Å; N869-Y871 VanDerWaalsContact C-N 3.32Å; N869-Y871 PolarHBondContact O-N 2.62Å; Y871-P875 WeakPolarHBondContact O-CA 3.48Å; Y871-I901 HydrophobicContact CD1-CB 4.43Å; Y871-I901 HydrophobicContact CD1-CG1 3.83Å; Y871-I901 HydrophobicContact CD1-CG2 4.36Å; Y871-I901 HydrophobicContact CD2-CG2 4.17Å; Y871-I901 HydrophobicContact CE1-CB 4.43Å; Y871-I901 HydrophobicContact CE1-CG1 4.3Å; Y871-I901 HydrophobicContact CE1-CG2 4.27Å; Y871-I901 HydrophobicContact CE2-CG2 4.08Å; Y871-I901 HydrophobicContact CG-CG1 4.08Å; Y871-I901 HydrophobicContact CG-CG2 4.31Å; Y871-H905 HydrophobicContact CE2-CB 4.1Å; Y871-H905 AromaticContact CE2-ND1 3.32Å; Y871-H905 VanDerWaalsContact CE2-ND1 3.32Å; Y871-H905 WeakPolarHBondContact CE2-ND1 3.42Å; Y871-H905 AromaticContact CZ-ND1 3.5Å; Y871-H905 PolarHBondContact OH-CE1 3.45Å; Y871-H905 PolarHBondContact OH-ND1 3.42Å; Y871-K1060 HydrophobicContact CD2-CB 4.4Å; Y871-K1060 HydrophobicContact CE2-CB 4.47Å; Y871-K1060 HydrophobicContact CE2-CG 4.5Å |
| 872 | H | 95.1 | Very high | 96.4 | Very high | 43 Ų | 43 | 17.9 Ų | 17.9 | 20% | 0.199 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -77.3 | -38.4 | -179.6 | -71 | 101.5 | 0 | 0 | 0 | 113.2 | D763 R825 N868 N869 D900 | D763-H872 IonicContact OD2-CE1 2.75Å; D763-H872 IonicContact OD2-CG 2.86Å; D763-H872 IonicContact OD2-ND1 2.85Å; R825-H872 PolarHBondContact NH2-CD2 2.79Å; R825-H872 VanDerWaalsContact NH2-CD2 3.35Å; R825-H872 PolarHBondContact NH2-CE1 3.12Å; R825-H872 PolarHBondContact NH2-NE2 2.94Å; R825-H872 VanDerWaalsContact NH2-NE2 3.16Å; N868-H872 PolarHBondContact O-N 3.47Å; N868-H872 VanDerWaalsContact O-N 3.14Å; N868-H872 PolarHBondContact O-ND1 3.2Å; N868-H872 PolarHBondContact OD1-CE1 3.17Å; N868-H872 PolarHBondContact OD1-ND1 3.19Å; N869-H872 PolarHBondContact O-N 3.14Å; H872-D900 PolarHBondContact CE1-O 3.14Å; H872-D900 IonicContact CE1-OD2 3.28Å; H872-D900 PolarHBondContact NE2-O 3.12Å; H872-D900 IonicContact NE2-OD2 3.5Å; H872-D900 PolarHBondContact NE2-OD2 3.46Å; H872-D900 VanDerWaalsContact NE2-OD2 3.15Å |
| 873 | N | 95.3 | Very high | 96.1 | Very high | 35 Ų | 35 | 17.9 Ų | 17.9 | 19% | 0.187 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -78.4 | -30.2 | -175.1 | -65.9 | 7.4 | 0 | 0 | 0 | 112.8 | D761 M844 N869 | D761-N873 WeakPolarHBondContact CB-OD1 3.47Å; D761-N873 PolarHBondContact O-ND2 3.32Å; D761-N873 PolarHBondContact O-OD1 3.2Å; M844-N873 WeakPolarHBondContact CE-ND2 3.45Å; N869-N873 WeakPolarHBondContact O-CB 3.27Å; N869-N873 PolarHBondContact O-N 2.87Å; N869-N873 PolarHBondContact O-OD1 3.33Å |
| 874 | W | 96.1 | Very high | 95.5 | Very high | 39 Ų | 39 | 21.5 Ų | 21.5 | 15% | 0.148 | 11% | 0.105 | C | C | . | . | trans | -135.5 | 71.7 | 179.2 | -61.6 | -73.7 | 0 | 0 | 0 | 111.1 | Q757 L870 E876 Q877 R1117 | Q757-W874 HydrophobicContact CG-CZ2 4.19Å; L870-W874 HydrophobicContact CD2-CE3 3.78Å; L870-W874 HydrophobicContact CD2-CZ3 3.72Å; L870-W874 PolarHBondContact O-N 3.35Å; L870-W874 VanDerWaalsContact O-N 3.08Å; W874-E876 WeakPolarHBondContact CA-OE2 3.27Å; W874-E876 PolarHBondContact O-N 2.87Å; W874-Q877 HydrophobicContact CB-CB 3.86Å; W874-Q877 HydrophobicContact CB-CG 3.73Å; W874-Q877 VanDerWaalsContact CB-NE2 3.33Å; W874-Q877 HydrophobicContact CG-CG 4.41Å; W874-Q877 WeakPolarHBondContact O-CB 3.32Å; W874-Q877 PolarHBondContact O-N 2.68Å; W874-R1117 VanDerWaalsContact CZ3-NH2 3.3Å | ||
| 875 | P | 93.3 | Very high | 94.9 | Very high | 78 Ų | 78 | 22.8 Ų | 22.8 | 51% | 0.506 | 11% | 0.114 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -21.2 | -177.9 | -23.1 | 34.5 | 0 | 0 | 0 | 114.1 | Y871 Q877 | Y871-P875 WeakPolarHBondContact O-CA 3.48Å; P875-Q877 VanDerWaalsContact C-N 3.34Å |
| 876 | E | 93.5 | Very high | 94.1 | Very high | 109 Ų | 109 | 24.7 Ų | 24.7 | 51% | 0.509 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -16.1 | 175.5 | 80.9 | -66.1 | 164.2 | 0 | 0 | 113.8 | W874 | W874-E876 WeakPolarHBondContact CA-OE2 3.27Å; W874-E876 PolarHBondContact O-N 2.87Å |
| 877 | Q | 95.5 | Very high | 93.3 | Very high | 9 Ų | 9 | 28.5 Ų | 28.5 | 4% | 0.042 | 14% | 0.142 | C | C | . | . | trans | -88 | 153.1 | -178.5 | -71.5 | 174.1 | 39.2 | 0 | 0 | 111.7 | W874 P875 D1084 | W874-Q877 HydrophobicContact CB-CB 3.86Å; W874-Q877 HydrophobicContact CB-CG 3.73Å; W874-Q877 VanDerWaalsContact CB-NE2 3.33Å; W874-Q877 HydrophobicContact CG-CG 4.41Å; W874-Q877 WeakPolarHBondContact O-CB 3.32Å; W874-Q877 PolarHBondContact O-N 2.68Å; P875-Q877 VanDerWaalsContact C-N 3.34Å; Q877-D1084 WeakPolarHBondContact CA-OD2 3.41Å; Q877-D1084 HydrophobicContact CB-CB 3.92Å; Q877-D1084 HydrophobicContact CG-CB 3.9Å | ||
| 878 | R | 96.1 | Very high | 92.6 | Very high | 14 Ų | 14 | 29.1 Ų | 29.1 | 5% | 0.053 | 15% | 0.148 | C | C | . | . | trans | -119.2 | 135.1 | -179.1 | -49.5 | 178 | 70 | -152.9 | 6.6 | 110 | V1055 I1056 A1059 K1060 I1062 H1082 D1084 N1085 | R878-V1055 PolarHBondContact NH1-O 2.92Å; R878-V1055 PolarHBondContact NH2-O 3.41Å; R878-I1056 PolarHBondContact NH1-O 3.14Å; R878-I1056 VanDerWaalsContact NH1-O 3.15Å; R878-A1059 PolarHBondContact NE-O 3.44Å; R878-A1059 PolarHBondContact NH2-O 2.98Å; R878-K1060 CarbonylContact C-O 3.44Å; R878-K1060 WeakPolarHBondContact CA-O 3.5Å; R878-I1062 HydrophobicContact CB-CD1 4.47Å; R878-H1082 WeakPolarHBondContact CD-O 3.39Å; R878-H1082 PolarHBondContact NH1-O 3.26Å; R878-D1084 PolarHBondContact N-OD2 3.27Å; R878-D1084 VanDerWaalsContact N-OD2 3.16Å; R878-D1084 PolarHBondContact O-N 3.35Å; R878-N1085 PolarHBondContact O-N 3.15Å; R878-N1085 VanDerWaalsContact O-N 3.09Å | ||
| 879 | T | 97.7 | Very high | 92.2 | Very high | 4 Ų | 4 | 29.3 Ų | 29.3 | 3% | 0.025 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 117 | -177.3 | -60.5 | 0 | 0 | 0 | 0 | 109.5 | I867 V881 K1060 V1061 I1062 N1085 | I867-T879 HydrophobicContact CG1-CG2 4.28Å; T879-V881 HydrophobicContact CG2-CG2 4.25Å; T879-K1060 PolarHBondContact N-O 3.22Å; T879-V1061 WeakPolarHBondContact O-CA 3.3Å; T879-I1062 PolarHBondContact O-N 3.02Å; T879-N1085 WeakPolarHBondContact CA-O 3.42Å; T879-N1085 HydrophobicContact CG2-CB 4.2Å; T879-N1085 PolarHBondContact OG1-ND2 3.49Å |
| 880 | L | 96.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 118.1 | 170.8 | 177.7 | 64.1 | 0 | 0 | 0 | 108.9 | V882 I1062 M1064 F1081 Y1083 N1085 V1086 L1087 P1102 L1105 | L880-V882 HydrophobicContact CD1-CG2 4.35Å; L880-V882 HydrophobicContact CD2-CG2 4.07Å; L880-V882 HydrophobicContact CG-CG2 3.79Å; L880-I1062 CarbonylContact C-O 3.56Å; L880-I1062 WeakPolarHBondContact CA-O 3.39Å; L880-I1062 HydrophobicContact CD1-CB 4.45Å; L880-I1062 HydrophobicContact CD1-CG2 4.41Å; L880-M1064 HydrophobicContact CD1-CE 3.63Å; L880-M1064 HydrophobicContact CD1-CG 3.99Å; L880-M1064 HydrophobicContact CD1-SD 3.99Å; L880-F1081 HydrophobicContact CD1-CE1 4.27Å; L880-F1081 HydrophobicContact CD1-CZ 4.26Å; L880-Y1083 HydrophobicContact CB-CD2 4Å; L880-Y1083 HydrophobicContact CB-CG 4Å; L880-Y1083 HydrophobicContact CD2-CD1 4.32Å; L880-Y1083 HydrophobicContact CD2-CD2 4.24Å; L880-Y1083 HydrophobicContact CD2-CE1 4.11Å; L880-Y1083 HydrophobicContact CD2-CE2 3.97Å; L880-Y1083 HydrophobicContact CD2-CG 4.41Å; L880-N1085 PolarHBondContact N-O 3.49Å; L880-V1086 HydrophobicContact CB-CG2 4.34Å; L880-V1086 HydrophobicContact CD2-CG2 4.3Å; L880-V1086 CarbonylContact O-C 3.58Å; L880-V1086 WeakPolarHBondContact O-CA 3.34Å; L880-L1087 PolarHBondContact O-N 2.96Å; L880-P1102 HydrophobicContact CD2-CB 4.3Å; L880-L1105 HydrophobicContact CD2-CD1 3.83Å |
| 881 | V | 96.8 | Very high | 91 | Very high | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.006 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 123.9 | 175.4 | 179.9 | 0 | 0 | 0 | 0 | 108.6 | I867 T879 L892 V1061 I1062 A1063 M1064 L1087 | I867-V881 HydrophobicContact CD1-CG2 3.59Å; I867-V881 HydrophobicContact CG1-CG2 4.37Å; T879-V881 HydrophobicContact CG2-CG2 4.25Å; V881-L892 HydrophobicContact CG1-CD2 3.4Å; V881-L892 HydrophobicContact CG1-CG 4.39Å; V881-V1061 HydrophobicContact CG2-CG1 3.9Å; V881-I1062 PolarHBondContact N-O 3.2Å; V881-A1063 HydrophobicContact CB-CB 4.16Å; V881-A1063 CarbonylContact O-C 3.58Å; V881-A1063 WeakPolarHBondContact O-CA 3.31Å; V881-M1064 PolarHBondContact O-N 2.96Å; V881-L1087 CarbonylContact C-O 3.53Å; V881-L1087 WeakPolarHBondContact CA-O 3.31Å; V881-L1087 HydrophobicContact CG1-CD2 4.31Å |
| 882 | V | 94.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 135.3 | -178.9 | -164 | 0 | 0 | 0 | 0 | 110.4 | L880 M1064 C1066 V1086 L1087 M1088 E1089 P1102 | L880-V882 HydrophobicContact CD1-CG2 4.35Å; L880-V882 HydrophobicContact CD2-CG2 4.07Å; L880-V882 HydrophobicContact CG-CG2 3.79Å; V882-M1064 VanDerWaalsContact CA-O 3.28Å; V882-M1064 WeakPolarHBondContact CA-O 3.4Å; V882-C1066 HydrophobicContact CG1-CB 4.24Å; V882-C1066 WeakPolarHBondContact CG1-SG 3.47Å; V882-V1086 HydrophobicContact CG2-CG1 4.49Å; V882-L1087 PolarHBondContact N-O 3.39Å; V882-M1088 HydrophobicContact CB-CG 4.17Å; V882-M1088 HydrophobicContact CG2-CE 4.47Å; V882-M1088 VanDerWaalsContact O-CA 3.24Å; V882-M1088 WeakPolarHBondContact O-CA 3.23Å; V882-E1089 PolarHBondContact O-N 3.05Å; V882-E1089 VanDerWaalsContact O-N 3.1Å; V882-P1102 HydrophobicContact CG1-CG 4.19Å; V882-P1102 HydrophobicContact CG2-CB 4.01Å; V882-P1102 HydrophobicContact CG2-CG 4.27Å |
| 883 | T | 91.7 | Very high | 90.4 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 161.2 | 174.6 | 70.7 | 0 | 0 | 0 | 0 | 111.6 | S885 A888 L889 L892 M1064 T1065 C1066 E1089 | T883-S885 VanDerWaalsContact C-N 3.34Å; T883-S885 PolarHBondContact OG1-O 3.18Å; T883-A888 HydrophobicContact CG2-CB 4.44Å; T883-L889 HydrophobicContact CG2-CB 4.39Å; T883-L889 HydrophobicContact CG2-CD1 3.73Å; T883-L889 WeakPolarHBondContact OG1-CB 3.24Å; T883-L889 PolarHBondContact OG1-N 2.97Å; T883-L892 HydrophobicContact CG2-CD2 4.36Å; T883-M1064 PolarHBondContact N-O 2.99Å; T883-T1065 CarbonylContact O-C 3.52Å; T883-T1065 VanDerWaalsContact O-CA 3.27Å; T883-T1065 WeakPolarHBondContact O-CA 3.43Å; T883-C1066 PolarHBondContact O-N 3.27Å; T883-E1089 HydrophobicContact CG2-CB 4.11Å |
| 884 | H | 85.1 | Confident | 90.1 | Very high | 75 Ų | 75 | 33.2 Ų | 33.2 | 35% | 0.347 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -69.7 | -31.2 | 177.9 | 119.1 | -101.1 | 0 | 0 | 0 | 112.7 | Q1093 I1094 | H884-Q1093 PolarHBondContact CE1-OE1 3.28Å; H884-Q1093 VanDerWaalsContact CE1-OE1 3.25Å; H884-Q1093 PolarHBondContact ND1-OE1 3.41Å; H884-I1094 HydrophobicContact CB-CD1 3.92Å; H884-I1094 HydrophobicContact CB-CG1 3.42Å; H884-I1094 VanDerWaalsContact CB-CG1 3.42Å |
| 885 | S | 83.1 | Confident | 89.8 | Confident | 30 Ų | 30 | 35.7 Ų | 35.7 | 21% | 0.21 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -140.5 | 152.5 | -172.4 | 69.4 | 0 | 0 | 0 | 0 | 112.7 | T883 Q887 A888 L889 | T883-S885 VanDerWaalsContact C-N 3.34Å; T883-S885 PolarHBondContact OG1-O 3.18Å; S885-Q887 PolarHBondContact O-N 3.46Å; S885-A888 PolarHBondContact O-N 3.37Å; S885-A888 VanDerWaalsContact O-N 3.17Å; S885-A888 PolarHBondContact OG-N 3Å; S885-L889 PolarHBondContact O-N 3.17Å |
| 886 | N | 81.2 | Confident | 89.7 | Confident | 43 Ų | 43 | 32 Ų | 32 | 23% | 0.23 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -57.4 | -34.1 | 175.6 | -69 | -25.9 | 0 | 0 | 0 | 112.2 | L889 N890 E912 T1065 | N886-L889 WeakPolarHBondContact O-CB 3.42Å; N886-L889 PolarHBondContact O-N 3.34Å; N886-N890 PolarHBondContact O-N 3.29Å; N886-N890 PolarHBondContact O-OD1 2.93Å; N886-E912 VanDerWaalsContact ND2-CD 3.34Å; N886-E912 PolarHBondContact ND2-OE2 2.92Å; N886-T1065 WeakPolarHBondContact OD1-CG2 3.32Å |
| 887 | Q | 81.6 | Confident | 89.4 | Confident | 79 Ų | 79 | 28.5 Ų | 28.5 | 37% | 0.369 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -64.9 | -46.9 | 177.2 | -176.2 | 175.9 | 22.8 | 0 | 0 | 112 | S885 L889 N890 H891 | S885-Q887 PolarHBondContact O-N 3.46Å; Q887-L889 VanDerWaalsContact C-N 3.29Å; Q887-L889 PolarHBondContact O-N 3.15Å; Q887-N890 PolarHBondContact O-N 3.26Å; Q887-H891 PolarHBondContact O-N 3.47Å; Q887-H891 VanDerWaalsContact O-N 3.15Å |
| 888 | A | 84 | Confident | 89.1 | Confident | 14 Ų | 14 | 31.2 Ų | 31.2 | 12% | 0.116 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.4 | -41 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | T883 S885 N890 H891 L892 | T883-A888 HydrophobicContact CG2-CB 4.44Å; S885-A888 PolarHBondContact O-N 3.37Å; S885-A888 VanDerWaalsContact O-N 3.17Å; S885-A888 PolarHBondContact OG-N 3Å; A888-N890 VanDerWaalsContact C-N 3.33Å; A888-N890 PolarHBondContact O-N 3.43Å; A888-H891 PolarHBondContact O-N 3.16Å; A888-L892 PolarHBondContact O-N 2.81Å; A888-L892 VanDerWaalsContact O-N 3.1Å |
| 889 | L | 87.1 | Confident | 88.9 | Confident | 3 Ų | 3 | 31.3 Ų | 31.3 | 2% | 0.016 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -57.2 | -46.3 | 175.3 | -159.3 | 65.3 | 0 | 0 | 0 | 111.6 | T883 S885 N886 Q887 L892 F893 R908 A1063 T1065 | T883-L889 HydrophobicContact CG2-CB 4.39Å; T883-L889 HydrophobicContact CG2-CD1 3.73Å; T883-L889 WeakPolarHBondContact OG1-CB 3.24Å; T883-L889 PolarHBondContact OG1-N 2.97Å; S885-L889 PolarHBondContact O-N 3.17Å; N886-L889 WeakPolarHBondContact O-CB 3.42Å; N886-L889 PolarHBondContact O-N 3.34Å; Q887-L889 VanDerWaalsContact C-N 3.29Å; Q887-L889 PolarHBondContact O-N 3.15Å; L889-L892 PolarHBondContact O-N 3.23Å; L889-F893 VanDerWaalsContact O-CB 3.24Å; L889-F893 WeakPolarHBondContact O-CB 3.39Å; L889-F893 PolarHBondContact O-N 2.99Å; L889-R908 HydrophobicContact CD2-CG 4.14Å; L889-A1063 HydrophobicContact CD1-CB 3.83Å; L889-A1063 HydrophobicContact CG-CB 4.37Å; L889-T1065 HydrophobicContact CD2-CG2 4.33Å |
| 890 | N | 84.3 | Confident | 88.6 | Confident | 28 Ų | 28 | 31.8 Ų | 31.8 | 15% | 0.15 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.7 | -49.4 | -178.6 | -66.8 | -0.8 | 0 | 0 | 0 | 111.7 | N886 Q887 A888 L892 F893 E894 R908 L914 | N886-N890 PolarHBondContact O-N 3.29Å; N886-N890 PolarHBondContact O-OD1 2.93Å; Q887-N890 PolarHBondContact O-N 3.26Å; A888-N890 VanDerWaalsContact C-N 3.33Å; A888-N890 PolarHBondContact O-N 3.43Å; N890-L892 VanDerWaalsContact C-N 3.33Å; N890-L892 PolarHBondContact O-N 3.28Å; N890-F893 PolarHBondContact O-N 2.9Å; N890-E894 WeakPolarHBondContact O-CG 3.45Å; N890-E894 PolarHBondContact O-N 3.07Å; N890-R908 PolarHBondContact OD1-NH2 3.16Å; N890-L914 HydrophobicContact CB-CD2 3.99Å; N890-L914 WeakPolarHBondContact OD1-CD2 3.22Å |
| 891 | H | 86.6 | Confident | 88.4 | Confident | 81 Ų | 81 | 32 Ų | 32 | 38% | 0.375 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -60.9 | -41.1 | 179.9 | -64.6 | 168.4 | 0 | 0 | 0 | 112.5 | Q887 A888 K895 | Q887-H891 PolarHBondContact O-N 3.47Å; Q887-H891 VanDerWaalsContact O-N 3.15Å; A888-H891 PolarHBondContact O-N 3.16Å; H891-K895 WeakPolarHBondContact O-CG 3.36Å; H891-K895 PolarHBondContact O-N 2.68Å |
| 892 | L | 90 | Very high | 88 | Confident | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -66.7 | -42.7 | 176.1 | 179.2 | 55.7 | 0 | 0 | 0 | 111.4 | T860 A863 A864 V881 T883 A888 L889 N890 K895 I896 L1087 E1089 | T860-L892 HydrophobicContact CG2-CB 4.02Å; T860-L892 HydrophobicContact CG2-CD1 3.83Å; A863-L892 HydrophobicContact CB-CD1 3.74Å; A864-L892 HydrophobicContact CB-CD1 4.38Å; V881-L892 HydrophobicContact CG1-CD2 3.4Å; V881-L892 HydrophobicContact CG1-CG 4.39Å; T883-L892 HydrophobicContact CG2-CD2 4.36Å; A888-L892 PolarHBondContact O-N 2.81Å; A888-L892 VanDerWaalsContact O-N 3.1Å; L889-L892 PolarHBondContact O-N 3.23Å; N890-L892 VanDerWaalsContact C-N 3.33Å; N890-L892 PolarHBondContact O-N 3.28Å; L892-K895 WeakPolarHBondContact O-CB 3.47Å; L892-K895 PolarHBondContact O-N 3.02Å; L892-I896 HydrophobicContact CD1-CD1 4.24Å; L892-I896 HydrophobicContact CD1-CG1 4.44Å; L892-I896 HydrophobicContact CG-CD1 4.01Å; L892-I896 VanDerWaalsContact O-CG1 3.29Å; L892-I896 WeakPolarHBondContact O-CG1 3.47Å; L892-I896 PolarHBondContact O-N 3.19Å; L892-L1087 HydrophobicContact CD2-CD2 4.14Å; L892-E1089 HydrophobicContact CD2-CB 4.39Å |
| 893 | F | 88 | Confident | 87.7 | Confident | 2 Ų | 2 | 35.9 Ų | 35.9 | 1% | 0.009 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -66.5 | -39.4 | -179.2 | -155.7 | -94.9 | 0 | 0 | 0 | 112.5 | L889 N890 K895 I896 M897 L906 L914 F920 A1063 | L889-F893 VanDerWaalsContact O-CB 3.24Å; L889-F893 WeakPolarHBondContact O-CB 3.39Å; L889-F893 PolarHBondContact O-N 2.99Å; N890-F893 PolarHBondContact O-N 2.9Å; F893-K895 VanDerWaalsContact C-N 3.31Å; F893-K895 PolarHBondContact O-N 2.88Å; F893-I896 WeakPolarHBondContact O-CB 3.21Å; F893-I896 PolarHBondContact O-N 2.89Å; F893-M897 HydrophobicContact CD1-CG 4.09Å; F893-M897 HydrophobicContact CD1-SD 3.79Å; F893-M897 HydrophobicContact CE1-CG 4.16Å; F893-M897 HydrophobicContact CE1-SD 3.97Å; F893-M897 WeakPolarHBondContact O-CG 3.49Å; F893-M897 PolarHBondContact O-N 2.95Å; F893-L906 HydrophobicContact CE2-CB 4.29Å; F893-L906 HydrophobicContact CZ-CB 3.74Å; F893-L906 HydrophobicContact CZ-CD1 4.39Å; F893-L914 HydrophobicContact CD1-CD1 3.95Å; F893-L914 HydrophobicContact CE1-CD1 4.1Å; F893-F920 HydrophobicContact CD1-CD2 4.45Å; F893-F920 HydrophobicContact CE1-CB 3.9Å; F893-F920 AromaticContact CE1-CD1 3.51Å; F893-F920 HydrophobicContact CE1-CD1 3.51Å; F893-F920 AromaticContact CE1-CD2 3.64Å; F893-F920 HydrophobicContact CE1-CD2 3.64Å; F893-F920 AromaticContact CE1-CE1 3.83Å; F893-F920 HydrophobicContact CE1-CE1 3.83Å; F893-F920 AromaticContact CE1-CE2 3.93Å; F893-F920 HydrophobicContact CE1-CE2 3.93Å; F893-F920 AromaticContact CE1-CG 3.4Å; F893-F920 HydrophobicContact CE1-CG 3.4Å; F893-F920 HydrophobicContact CE1-CZ 4.03Å; F893-F920 HydrophobicContact CZ-CB 3.99Å; F893-F920 AromaticContact CZ-CD1 3.61Å; F893-F920 HydrophobicContact CZ-CD1 3.61Å; F893-F920 HydrophobicContact CZ-CD2 4.47Å; F893-F920 HydrophobicContact CZ-CE1 4.16Å; F893-F920 AromaticContact CZ-CG 3.78Å; F893-F920 HydrophobicContact CZ-CG 3.78Å; F893-A1063 HydrophobicContact CD2-CB 3.81Å; F893-A1063 HydrophobicContact CE2-CB 3.98Å |
| 894 | E | 88.7 | Confident | 87.5 | Confident | 88 Ų | 88 | 36.8 Ų | 36.8 | 41% | 0.411 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -58.3 | -41.1 | 172.8 | -75.4 | 167.2 | -164.3 | 0 | 0 | 112.1 | N890 M897 A898 T916 | N890-E894 WeakPolarHBondContact O-CG 3.45Å; N890-E894 PolarHBondContact O-N 3.07Å; E894-M897 PolarHBondContact O-N 3.41Å; E894-A898 PolarHBondContact O-N 2.84Å; E894-T916 HydrophobicContact CG-CG2 4.42Å |
| 895 | K | 90.9 | Very high | 87.8 | Confident | 91 Ų | 91 | 34 Ų | 34 | 40% | 0.396 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -66.5 | -40.7 | 176 | -71.6 | -75.5 | -175.3 | 157.1 | 0 | 112.2 | T860 D861 A864 H891 L892 F893 A898 L899 | T860-K895 HydrophobicContact CG2-CG 4.11Å; D861-K895 WeakPolarHBondContact OD1-CE 2.92Å; D861-K895 IonicContact OD1-NZ 2.68Å; D861-K895 PolarHBondContact OD1-NZ 3.43Å; A864-K895 HydrophobicContact CB-CB 3.98Å; H891-K895 WeakPolarHBondContact O-CG 3.36Å; H891-K895 PolarHBondContact O-N 2.68Å; L892-K895 WeakPolarHBondContact O-CB 3.47Å; L892-K895 PolarHBondContact O-N 3.02Å; F893-K895 VanDerWaalsContact C-N 3.31Å; F893-K895 PolarHBondContact O-N 2.88Å; K895-A898 WeakPolarHBondContact O-CB 3.14Å; K895-A898 PolarHBondContact O-N 3.14Å; K895-L899 WeakPolarHBondContact O-CG 3.34Å |
| 896 | I | 91.5 | Very high | 88.3 | Confident | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.6 | -42.4 | 175.5 | -67.6 | 166.3 | 0 | 0 | 0 | 110.7 | A864 I867 L892 F893 A898 L899 I901 L906 | A864-I896 HydrophobicContact CB-CG1 4.27Å; I867-I896 HydrophobicContact CD1-CD1 3.51Å; I867-I896 HydrophobicContact CD1-CG1 4.12Å; I867-I896 HydrophobicContact CG2-CD1 4.45Å; L892-I896 HydrophobicContact CD1-CD1 4.24Å; L892-I896 HydrophobicContact CD1-CG1 4.44Å; L892-I896 HydrophobicContact CG-CD1 4.01Å; L892-I896 VanDerWaalsContact O-CG1 3.29Å; L892-I896 WeakPolarHBondContact O-CG1 3.47Å; L892-I896 PolarHBondContact O-N 3.19Å; F893-I896 WeakPolarHBondContact O-CB 3.21Å; F893-I896 PolarHBondContact O-N 2.89Å; I896-A898 PolarHBondContact O-N 3.15Å; I896-L899 WeakPolarHBondContact O-CB 3.38Å; I896-L899 PolarHBondContact O-N 2.86Å; I896-I901 HydrophobicContact CG2-CD1 3.65Å; I896-L906 HydrophobicContact CG2-CD1 4.13Å; I896-L906 HydrophobicContact CG2-CD2 3.64Å |
| 897 | M | 87.5 | Confident | 88.7 | Confident | 35 Ų | 35 | 30.5 Ų | 30.5 | 17% | 0.172 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63.7 | -27.4 | 177.7 | -71.6 | 174.2 | 58.9 | 0 | 0 | 113.6 | K826 F893 E894 L899 L906 K918 F920 | K826-M897 PolarHBondContact NZ-O 3.24Å; F893-M897 HydrophobicContact CD1-CG 4.09Å; F893-M897 HydrophobicContact CD1-SD 3.79Å; F893-M897 HydrophobicContact CE1-CG 4.16Å; F893-M897 HydrophobicContact CE1-SD 3.97Å; F893-M897 WeakPolarHBondContact O-CG 3.49Å; F893-M897 PolarHBondContact O-N 2.95Å; E894-M897 PolarHBondContact O-N 3.41Å; M897-L899 VanDerWaalsContact C-N 3.27Å; M897-L906 HydrophobicContact CG-CD1 4.03Å; M897-K918 HydrophobicContact CE-CD 4.26Å; M897-F920 HydrophobicContact CE-CE2 3.49Å; M897-F920 VanDerWaalsContact CE-CE2 3.49Å; M897-F920 HydrophobicContact CE-CZ 3.58Å; M897-F920 HydrophobicContact CG-CE2 4.42Å; M897-F920 HydrophobicContact CG-CZ 4.03Å; M897-F920 HydrophobicContact SD-CD2 4.29Å; M897-F920 HydrophobicContact SD-CE2 3.38Å; M897-F920 WeakPolarHBondContact SD-CE2 3.3Å; M897-F920 HydrophobicContact SD-CZ 3.57Å; M897-F920 VanDerWaalsContact SD-CZ 3.57Å |
| 898 | A | 89.3 | Confident | 88.9 | Confident | 66 Ų | 66 | 27.1 Ų | 27.1 | 55% | 0.545 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -15.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | K826 E894 K895 I896 | K826-A898 WeakPolarHBondContact CD-O 3.32Å; E894-A898 PolarHBondContact O-N 2.84Å; K895-A898 WeakPolarHBondContact O-CB 3.14Å; K895-A898 PolarHBondContact O-N 3.14Å; I896-A898 PolarHBondContact O-N 3.15Å |
| 899 | L | 91 | Very high | 88.7 | Confident | 16 Ų | 16 | 26.7 Ų | 26.7 | 8% | 0.084 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -91.4 | 174 | 177.3 | -60.8 | 174 | 0 | 0 | 0 | 111.5 | N828 A864 N868 K895 I896 M897 I901 | N828-L899 HydrophobicContact CB-CD2 4.48Å; A864-L899 HydrophobicContact CB-CD1 3.75Å; A864-L899 WeakPolarHBondContact O-CD1 3.47Å; N868-L899 HydrophobicContact CB-CD1 3.89Å; K895-L899 WeakPolarHBondContact O-CG 3.34Å; I896-L899 WeakPolarHBondContact O-CB 3.38Å; I896-L899 PolarHBondContact O-N 2.86Å; M897-L899 VanDerWaalsContact C-N 3.27Å; L899-I901 PolarHBondContact O-N 3.35Å |
| 900 | D | 91.4 | Very high | 87.9 | Confident | 13 Ų | 13 | 28.1 Ų | 28.1 | 7% | 0.07 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -79.7 | 51.6 | -177.9 | -171.9 | 50.9 | 0 | 0 | 0 | 113.1 | R817 R825 K826 H872 | R817-D900 IonicContact CZ-OD1 2.69Å; R817-D900 IonicContact CZ-OD2 2.8Å; R817-D900 IonicContact NH1-OD1 3.32Å; R817-D900 PolarHBondContact NH1-OD1 3.22Å; R817-D900 IonicContact NH1-OD2 3.35Å; R817-D900 PolarHBondContact NH1-OD2 3.36Å; R817-D900 IonicContact NH2-OD1 3.84Å; R817-D900 IonicContact NH2-OD2 3.65Å; R817-D900 PolarHBondContact NH2-OD2 3.34Å; R825-D900 WeakPolarHBondContact CD-OD2 3.38Å; R825-D900 HydrophobicContact CG-CB 4.06Å; R825-D900 WeakPolarHBondContact CG-OD2 3.42Å; R825-D900 IonicContact CZ-OD2 2.8Å; R825-D900 IonicContact NE-OD2 3.59Å; R825-D900 PolarHBondContact NE-OD2 3.41Å; R825-D900 IonicContact NH2-OD2 2.77Å; K826-D900 HydrophobicContact CB-CB 4.3Å; K826-D900 WeakPolarHBondContact O-CB 3.3Å; H872-D900 PolarHBondContact CE1-O 3.14Å; H872-D900 IonicContact CE1-OD2 3.28Å; H872-D900 PolarHBondContact NE2-O 3.12Å; H872-D900 IonicContact NE2-OD2 3.5Å; H872-D900 PolarHBondContact NE2-OD2 3.46Å; H872-D900 VanDerWaalsContact NE2-OD2 3.15Å |
| 901 | I | 91.7 | Very high | 86.6 | Confident | 6 Ų | 6 | 34 Ų | 34 | 3% | 0.031 | 18% | 0.179 | C | C | . | . | trans | -109.4 | 129.9 | 173.4 | -61.7 | 163.2 | 0 | 0 | 0 | 108.3 | I867 N868 Y871 I896 L899 E903 L906 | I867-I901 HydrophobicContact CG2-CD1 3.94Å; N868-I901 HydrophobicContact CB-CD1 4.42Å; Y871-I901 HydrophobicContact CD1-CB 4.43Å; Y871-I901 HydrophobicContact CD1-CG1 3.83Å; Y871-I901 HydrophobicContact CD1-CG2 4.36Å; Y871-I901 HydrophobicContact CD2-CG2 4.17Å; Y871-I901 HydrophobicContact CE1-CB 4.43Å; Y871-I901 HydrophobicContact CE1-CG1 4.3Å; Y871-I901 HydrophobicContact CE1-CG2 4.27Å; Y871-I901 HydrophobicContact CE2-CG2 4.08Å; Y871-I901 HydrophobicContact CG-CG1 4.08Å; Y871-I901 HydrophobicContact CG-CG2 4.31Å; I896-I901 HydrophobicContact CG2-CD1 3.65Å; L899-I901 PolarHBondContact O-N 3.35Å; I901-E903 PolarHBondContact O-N 3.16Å; I901-L906 HydrophobicContact CB-CD2 4.4Å; I901-L906 HydrophobicContact CG2-CD2 3.5Å; I901-L906 VanDerWaalsContact CG2-CD2 3.5Å; I901-L906 HydrophobicContact CG2-CG 4Å | ||
| 902 | D | 89.3 | Confident | 85 | Confident | 48 Ų | 48 | 34.3 Ų | 34.3 | 26% | 0.257 | 18% | 0.181 | S | C | . | . | trans | -64.6 | 129 | 177.9 | -164.9 | -38.7 | 0 | 0 | 0 | 110.4 | R904 H905 | D902-R904 HydrophobicContact CB-CG 4.22Å; D902-R904 VanDerWaalsContact CG-CD 3.5Å; D902-R904 VanDerWaalsContact CG-CG 3.5Å; D902-R904 VanDerWaalsContact CG-NE 3.32Å; D902-R904 PolarHBondContact O-N 3.13Å; D902-R904 WeakPolarHBondContact OD1-CD 3.44Å; D902-R904 VanDerWaalsContact OD1-CG 3.23Å; D902-R904 WeakPolarHBondContact OD1-CG 3.12Å; D902-R904 PolarHBondContact OD1-N 2.57Å; D902-R904 IonicContact OD1-NE 3.44Å; D902-R904 VanDerWaalsContact OD2-CD 3.31Å; D902-R904 WeakPolarHBondContact OD2-CD 3.12Å; D902-R904 IonicContact OD2-CZ 3.5Å; D902-R904 IonicContact OD2-NE 3.21Å; D902-R904 PolarHBondContact OD2-NE 2.87Å; D902-H905 PolarHBondContact O-N 2.7Å | ||
| 903 | E | 86.9 | Confident | 83.1 | Confident | 34 Ų | 34 | 41.7 Ų | 41.7 | 16% | 0.159 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | -57 | -34.2 | -179.4 | -63.3 | -176.5 | 179.7 | 0 | 0 | 111.4 | I901 H905 L906 K918 F920 R925 | I901-E903 PolarHBondContact O-N 3.16Å; E903-H905 PolarHBondContact O-N 2.86Å; E903-L906 WeakPolarHBondContact O-CB 3.18Å; E903-L906 PolarHBondContact O-N 3.28Å; E903-K918 IonicContact OE1-NZ 3.64Å; E903-K918 PolarHBondContact OE1-NZ 2.99Å; E903-K918 IonicContact OE2-NZ 2.81Å; E903-K918 PolarHBondContact OE2-NZ 3.03Å; E903-F920 HydrophobicContact CB-CE1 4.39Å; E903-R925 PolarHBondContact O-NH2 3.42Å |
| 904 | R | 87.9 | Confident | 81.2 | Confident | 18 Ų | 18 | 42.4 Ų | 42.4 | 7% | 0.068 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -60.6 | -28 | 179.6 | 73.3 | -156.8 | 173.6 | 127.1 | 18.1 | 113.4 | D902 Y928 E1034 E1037 | D902-R904 HydrophobicContact CB-CG 4.22Å; D902-R904 VanDerWaalsContact CG-CD 3.5Å; D902-R904 VanDerWaalsContact CG-CG 3.5Å; D902-R904 VanDerWaalsContact CG-NE 3.32Å; D902-R904 PolarHBondContact O-N 3.13Å; D902-R904 WeakPolarHBondContact OD1-CD 3.44Å; D902-R904 VanDerWaalsContact OD1-CG 3.23Å; D902-R904 WeakPolarHBondContact OD1-CG 3.12Å; D902-R904 PolarHBondContact OD1-N 2.57Å; D902-R904 IonicContact OD1-NE 3.44Å; D902-R904 VanDerWaalsContact OD2-CD 3.31Å; D902-R904 WeakPolarHBondContact OD2-CD 3.12Å; D902-R904 IonicContact OD2-CZ 3.5Å; D902-R904 IonicContact OD2-NE 3.21Å; D902-R904 PolarHBondContact OD2-NE 2.87Å; R904-Y928 HydrophobicContact CB-CE1 4.19Å; R904-E1034 IonicContact NH1-OE2 3.02Å; R904-E1037 IonicContact CZ-OE2 3.81Å; R904-E1037 IonicContact NH1-OE2 3.14Å; R904-E1037 PolarHBondContact NH1-OE2 2.93Å; R904-E1037 IonicContact NH2-OE1 2.8Å; R904-E1037 IonicContact NH2-OE2 3.89Å; R904-E1037 PolarHBondContact NH2-OE2 3.13Å |
| 905 | H | 92.7 | Very high | 79.4 | Confident | 16 Ų | 16 | 43 Ų | 43 | 7% | 0.074 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -86.2 | -9.6 | 177.9 | -63.5 | 153.2 | 0 | 0 | 0 | 113.7 | Y871 D902 E903 E1058 K1060 V1061 | Y871-H905 HydrophobicContact CE2-CB 4.1Å; Y871-H905 AromaticContact CE2-ND1 3.32Å; Y871-H905 VanDerWaalsContact CE2-ND1 3.32Å; Y871-H905 WeakPolarHBondContact CE2-ND1 3.42Å; Y871-H905 AromaticContact CZ-ND1 3.5Å; Y871-H905 PolarHBondContact OH-CE1 3.45Å; Y871-H905 PolarHBondContact OH-ND1 3.42Å; D902-H905 PolarHBondContact O-N 2.7Å; E903-H905 PolarHBondContact O-N 2.86Å; H905-E1058 PolarHBondContact CD2-O 3.43Å; H905-E1058 IonicContact CD2-OE1 3.77Å; H905-E1058 IonicContact NE2-OE1 2.66Å; H905-K1060 HydrophobicContact CB-CB 3.99Å; H905-K1060 HydrophobicContact CB-CG 3.82Å; H905-K1060 PolarHBondContact O-N 2.87Å; H905-V1061 PolarHBondContact O-N 2.88Å |
| 906 | L | 91.9 | Very high | 77.7 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 126.1 | 178.3 | -59.4 | -176.8 | 0 | 0 | 0 | 110.8 | F893 I896 M897 I901 E903 F920 R925 V1061 | F893-L906 HydrophobicContact CE2-CB 4.29Å; F893-L906 HydrophobicContact CZ-CB 3.74Å; F893-L906 HydrophobicContact CZ-CD1 4.39Å; I896-L906 HydrophobicContact CG2-CD1 4.13Å; I896-L906 HydrophobicContact CG2-CD2 3.64Å; M897-L906 HydrophobicContact CG-CD1 4.03Å; I901-L906 HydrophobicContact CB-CD2 4.4Å; I901-L906 HydrophobicContact CG2-CD2 3.5Å; I901-L906 VanDerWaalsContact CG2-CD2 3.5Å; I901-L906 HydrophobicContact CG2-CG 4Å; E903-L906 WeakPolarHBondContact O-CB 3.18Å; E903-L906 PolarHBondContact O-N 3.28Å; L906-F920 HydrophobicContact CB-CD1 4.15Å; L906-F920 HydrophobicContact CB-CE1 4.04Å; L906-F920 HydrophobicContact CD1-CE1 4.29Å; L906-R925 WeakPolarHBondContact O-CD 3.45Å; L906-R925 PolarHBondContact O-NE 3.35Å; L906-R925 VanDerWaalsContact O-NE 3.15Å; L906-V1061 HydrophobicContact CD2-CB 3.72Å; L906-V1061 HydrophobicContact CD2-CG1 4.2Å; L906-V1061 HydrophobicContact CD2-CG2 4.11Å |
| 907 | L | 90.8 | Very high | 76 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 129.1 | 175.7 | 174.3 | 67 | 0 | 0 | 0 | 110.7 | K922 R925 L1054 V1055 A1059 V1061 I1062 A1063 | L907-K922 HydrophobicContact CD1-CG 4.36Å; L907-R925 HydrophobicContact CD1-CG 3.77Å; L907-L1054 HydrophobicContact CB-CD2 4.45Å; L907-L1054 HydrophobicContact CD1-CD2 3.8Å; L907-L1054 HydrophobicContact CD2-CD2 3.91Å; L907-L1054 HydrophobicContact CG-CD2 4.26Å; L907-V1055 HydrophobicContact CD2-CB 4.4Å; L907-V1055 HydrophobicContact CD2-CG2 3.68Å; L907-A1059 HydrophobicContact CB-CB 3.7Å; L907-A1059 HydrophobicContact CD2-CB 4.06Å; L907-V1061 PolarHBondContact N-O 3.49Å; L907-I1062 HydrophobicContact CD2-CG1 4.43Å; L907-I1062 HydrophobicContact CD2-CG2 4.19Å; L907-I1062 CarbonylContact O-C 3.45Å; L907-I1062 WeakPolarHBondContact O-CA 3.24Å; L907-A1063 PolarHBondContact O-N 3.32Å |
| 908 | R | 86.3 | Confident | 75.2 | Confident | 9 Ų | 9 | 53.2 Ų | 53.2 | 3% | 0.034 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 113 | 166.4 | -169.7 | 177.6 | -178.3 | -137.4 | -0.2 | 109.1 | L889 N890 E912 E913 L914 F920 A1063 | L889-R908 HydrophobicContact CD2-CG 4.14Å; N890-R908 PolarHBondContact OD1-NH2 3.16Å; R908-E912 PolarHBondContact NH1-O 2.98Å; R908-E913 PolarHBondContact NH1-O 3.03Å; R908-L914 VanDerWaalsContact NH1-N 3.15Å; R908-F920 HydrophobicContact CB-CB 4Å; R908-F920 PolarHBondContact N-O 3.28Å; R908-A1063 WeakPolarHBondContact CA-O 3.41Å |
| 909 | H | 80 | Confident | 74.4 | Confident | 5 Ų | 5 | 53.1 Ų | 53.1 | 2% | 0.023 | 28% | 0.279 | C | S | . | . | trans | -102.7 | 91.9 | -178.9 | -163 | -33.8 | 0 | 0 | 0 | 109.3 | I1062 A1063 M1064 H1068 | H909-I1062 HydrophobicContact CB-CG2 4.3Å; H909-A1063 PolarHBondContact N-O 3.04Å; H909-M1064 HydrophobicContact CB-CE 4.16Å; H909-M1064 VanDerWaalsContact O-CB 3.26Å; H909-M1064 WeakPolarHBondContact O-CB 3.33Å; H909-H1068 AromaticContact CE1-NE2 3.34Å; H909-H1068 PolarHBondContact CE1-NE2 2.98Å; H909-H1068 VanDerWaalsContact CE1-NE2 3.34Å; H909-H1068 AromaticContact CG-NE2 3.93Å; H909-H1068 AromaticContact ND1-CD2 3.75Å; H909-H1068 AromaticContact ND1-CE1 3.79Å; H909-H1068 AromaticContact ND1-NE2 2.91Å; H909-H1068 PolarHBondContact ND1-NE2 3.06Å; H909-H1068 PolarHBondContact O-CD2 3.14Å; H909-H1068 PolarHBondContact O-NE2 2.97Å | ||
| 910 | G | 69.3 | Low | 73.9 | Confident | 33 Ų | 33 | 52.5 Ų | 52.5 | 34% | 0.34 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -166.4 | 177 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 911 | E | 56.9 | Low | 73.3 | Confident | 150 Ų | 150 | 53.4 Ų | 53.4 | 70% | 0.701 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -91.5 | -28 | -174.9 | -66.3 | -179.5 | 173 | 0 | 0 | 114.7 | R1072 | E911-R1072 IonicContact OE1-NH2 3.98Å; E911-R1072 PolarHBondContact OE1-NH2 3.45Å |
| 912 | E | 53.6 | Low | 72.8 | Confident | 88 Ų | 88 | 55.4 Ų | 55.4 | 41% | 0.411 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -91.1 | 138.6 | 179.3 | -74.8 | -179.9 | 176.2 | 0 | 0 | 110.9 | K710 N886 R908 | K710-E912 WeakPolarHBondContact CE-OE1 3.24Å; K710-E912 IonicContact NZ-OE1 3.74Å; K710-E912 PolarHBondContact NZ-OE1 2.95Å; N886-E912 VanDerWaalsContact ND2-CD 3.34Å; N886-E912 PolarHBondContact ND2-OE2 2.92Å; R908-E912 PolarHBondContact NH1-O 2.98Å |
| 913 | E | 49.7 | Very low | 72.3 | Confident | 156 Ų | 156 | 59.9 Ų | 59.9 | 73% | 0.729 | 31% | 0.306 | S | S | * | . | P | Polyproline II helix | trans | -65.6 | 157.8 | 171.9 | -69.8 | 178.3 | 175.9 | 0 | 0 | 111.7 | R908 | R908-E913 PolarHBondContact NH1-O 3.03Š|
| 914 | L | 48.8 | Very low | 72.2 | Confident | 18 Ų | 18 | 58.5 Ų | 58.5 | 9% | 0.094 | 30% | 0.301 | C | S | . | . | P | Polyproline II helix | trans | -77.1 | 147.2 | 169.5 | -81.2 | 156.5 | 0 | 0 | 0 | 108.2 | N890 F893 R908 T916 F920 | N890-L914 HydrophobicContact CB-CD2 3.99Å; N890-L914 WeakPolarHBondContact OD1-CD2 3.22Å; F893-L914 HydrophobicContact CD1-CD1 3.95Å; F893-L914 HydrophobicContact CE1-CD1 4.1Å; R908-L914 VanDerWaalsContact NH1-N 3.15Å; L914-T916 HydrophobicContact CB-CG2 4.12Å; L914-T916 WeakPolarHBondContact CB-OG1 3.3Å; L914-T916 PolarHBondContact O-N 2.92Å; L914-F920 HydrophobicContact CD1-CB 3.86Å; L914-F920 HydrophobicContact CD1-CD2 3.52Å; L914-F920 HydrophobicContact CD1-CE2 4.45Å; L914-F920 HydrophobicContact CD1-CG 4.07Å |
| 915 | A | 50.8 | Low | 72.1 | Confident | 100 Ų | 100 | 57.9 Ų | 57.9 | 83% | 0.826 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -75.3 | 35.9 | 164.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 916 | T | 54.8 | Low | 71.8 | Confident | 36 Ų | 36 | 57.4 Ų | 57.4 | 22% | 0.221 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -111.1 | 149.6 | 176.2 | 58.2 | 0 | 0 | 0 | 0 | 108.3 | E894 L914 K918 | E894-T916 HydrophobicContact CG-CG2 4.42Å; L914-T916 HydrophobicContact CB-CG2 4.12Å; L914-T916 WeakPolarHBondContact CB-OG1 3.3Å; L914-T916 PolarHBondContact O-N 2.92Å; T916-K918 PolarHBondContact O-N 3.25Å; T916-K918 PolarHBondContact OG1-O 2.88Å |
| 917 | E | 54.9 | Low | 71.6 | Confident | 211 Ų | 211 | 62.2 Ų | 62.2 | 99% | 0.986 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -58.5 | -20.2 | 175.7 | -63.8 | 179.7 | 170.3 | 0 | 0 | 113.2 | ||
| 918 | K | 70.6 | Confident | 71.5 | Confident | 94 Ų | 94 | 64.8 Ų | 64.8 | 41% | 0.409 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -100 | 136.7 | -177.2 | -61.7 | -174.7 | 179.3 | -166.5 | 0 | 112.2 | M897 E903 T916 F920 | M897-K918 HydrophobicContact CE-CD 4.26Å; E903-K918 IonicContact OE1-NZ 3.64Å; E903-K918 PolarHBondContact OE1-NZ 2.99Å; E903-K918 IonicContact OE2-NZ 2.81Å; E903-K918 PolarHBondContact OE2-NZ 3.03Å; T916-K918 PolarHBondContact O-N 3.25Å; T916-K918 PolarHBondContact OG1-O 2.88Å; K918-F920 HydrophobicContact CB-CD2 4.24Å; K918-F920 HydrophobicContact CB-CE2 3.69Å; K918-F920 HydrophobicContact CB-CZ 4.39Å; K918-F920 HydrophobicContact CD-CE2 4.4Å; K918-F920 HydrophobicContact CD-CZ 4.42Å |
| 919 | D | 74.1 | Confident | 71.6 | Confident | 65 Ų | 65 | 64.4 Ų | 64.4 | 35% | 0.348 | 33% | 0.331 | S | S | . | . | trans | -89.5 | 113.1 | 175.9 | -173.6 | 5.5 | 0 | 0 | 0 | 112 | S921 G924 | D919-S921 VanDerWaalsContact CG-OG 3.23Å; D919-S921 WeakPolarHBondContact OD1-CA 3.36Å; D919-S921 WeakPolarHBondContact OD1-CB 3.21Å; D919-S921 PolarHBondContact OD1-N 3.32Å; D919-S921 PolarHBondContact OD1-OG 3.41Å; D919-S921 PolarHBondContact OD2-OG 3.44Å; D919-G924 VanDerWaalsContact CG-CA 3.45Å; D919-G924 WeakPolarHBondContact OD2-CA 3.31Å; D919-G924 PolarHBondContact OD2-N 2.98Å | ||
| 920 | F | 79.6 | Confident | 72 | Confident | 2 Ų | 2 | 65.6 Ų | 65.6 | 1% | 0.009 | 34% | 0.338 | C | S | . | . | trans | -100.3 | 10 | 174.9 | -69.1 | -90.3 | 0 | 0 | 0 | 114.6 | F893 M897 E903 L906 R908 L914 K918 R925 | F893-F920 HydrophobicContact CD1-CD2 4.45Å; F893-F920 HydrophobicContact CE1-CB 3.9Å; F893-F920 AromaticContact CE1-CD1 3.51Å; F893-F920 HydrophobicContact CE1-CD1 3.51Å; F893-F920 AromaticContact CE1-CD2 3.64Å; F893-F920 HydrophobicContact CE1-CD2 3.64Å; F893-F920 AromaticContact CE1-CE1 3.83Å; F893-F920 HydrophobicContact CE1-CE1 3.83Å; F893-F920 AromaticContact CE1-CE2 3.93Å; F893-F920 HydrophobicContact CE1-CE2 3.93Å; F893-F920 AromaticContact CE1-CG 3.4Å; F893-F920 HydrophobicContact CE1-CG 3.4Å; F893-F920 HydrophobicContact CE1-CZ 4.03Å; F893-F920 HydrophobicContact CZ-CB 3.99Å; F893-F920 AromaticContact CZ-CD1 3.61Å; F893-F920 HydrophobicContact CZ-CD1 3.61Å; F893-F920 HydrophobicContact CZ-CD2 4.47Å; F893-F920 HydrophobicContact CZ-CE1 4.16Å; F893-F920 AromaticContact CZ-CG 3.78Å; F893-F920 HydrophobicContact CZ-CG 3.78Å; M897-F920 HydrophobicContact CE-CE2 3.49Å; M897-F920 VanDerWaalsContact CE-CE2 3.49Å; M897-F920 HydrophobicContact CE-CZ 3.58Å; M897-F920 HydrophobicContact CG-CE2 4.42Å; M897-F920 HydrophobicContact CG-CZ 4.03Å; M897-F920 HydrophobicContact SD-CD2 4.29Å; M897-F920 HydrophobicContact SD-CE2 3.38Å; M897-F920 WeakPolarHBondContact SD-CE2 3.3Å; M897-F920 HydrophobicContact SD-CZ 3.57Å; M897-F920 VanDerWaalsContact SD-CZ 3.57Å; E903-F920 HydrophobicContact CB-CE1 4.39Å; L906-F920 HydrophobicContact CB-CD1 4.15Å; L906-F920 HydrophobicContact CB-CE1 4.04Å; L906-F920 HydrophobicContact CD1-CE1 4.29Å; R908-F920 HydrophobicContact CB-CB 4Å; R908-F920 PolarHBondContact N-O 3.28Å; L914-F920 HydrophobicContact CD1-CB 3.86Å; L914-F920 HydrophobicContact CD1-CD2 3.52Å; L914-F920 HydrophobicContact CD1-CE2 4.45Å; L914-F920 HydrophobicContact CD1-CG 4.07Å; K918-F920 HydrophobicContact CB-CD2 4.24Å; K918-F920 HydrophobicContact CB-CE2 3.69Å; K918-F920 HydrophobicContact CB-CZ 4.39Å; K918-F920 HydrophobicContact CD-CE2 4.4Å; K918-F920 HydrophobicContact CD-CZ 4.42Å; F920-R925 VanDerWaalsContact CA-CD 3.49Å | ||
| 921 | S | 79.3 | Confident | 73 | Confident | 33 Ų | 33 | 67 Ų | 67 | 23% | 0.231 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -66 | 166.4 | 173.8 | 78.3 | 0 | 0 | 0 | 0 | 112.1 | D919 Y923 G924 R925 | D919-S921 VanDerWaalsContact CG-OG 3.23Å; D919-S921 WeakPolarHBondContact OD1-CA 3.36Å; D919-S921 WeakPolarHBondContact OD1-CB 3.21Å; D919-S921 PolarHBondContact OD1-N 3.32Å; D919-S921 PolarHBondContact OD1-OG 3.41Å; D919-S921 PolarHBondContact OD2-OG 3.44Å; S921-Y923 VanDerWaalsContact C-N 3.3Å; S921-Y923 PolarHBondContact O-N 2.96Å; S921-G924 PolarHBondContact O-N 3.05Å; S921-G924 PolarHBondContact OG-N 3.5Å; S921-R925 VanDerWaalsContact O-CG 3.29Å; S921-R925 WeakPolarHBondContact O-CG 3.42Å; S921-R925 PolarHBondContact O-N 2.89Å |
| 922 | K | 79.8 | Confident | 74.7 | Confident | 48 Ų | 48 | 61.2 Ų | 61.2 | 21% | 0.209 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -53 | -47.3 | 178 | -63.1 | -166.8 | -63.8 | 179.2 | 0 | 112.2 | L907 V926 V1051 V1055 E1075 | L907-K922 HydrophobicContact CD1-CG 4.36Å; K922-V926 WeakPolarHBondContact O-CG2 3.43Å; K922-V926 PolarHBondContact O-N 2.91Å; K922-V1051 HydrophobicContact CB-CB 4.49Å; K922-V1051 HydrophobicContact CB-CG1 3.71Å; K922-V1051 HydrophobicContact CB-CG2 3.99Å; K922-V1051 HydrophobicContact CD-CG1 3.5Å; K922-V1051 HydrophobicContact CG-CG1 4.04Å; K922-V1055 HydrophobicContact CD-CG2 4.19Å; K922-E1075 IonicContact NZ-OE1 3.26Å; K922-E1075 PolarHBondContact NZ-OE1 3.14Å |
| 923 | Y | 80.7 | Confident | 76.5 | Confident | 141 Ų | 141 | 58.9 Ų | 58.9 | 55% | 0.553 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -76.2 | -38.2 | 179.5 | -66.6 | -70.3 | 0 | 0 | 0 | 112.2 | S921 R925 V926 N927 V1051 | S921-Y923 VanDerWaalsContact C-N 3.3Å; S921-Y923 PolarHBondContact O-N 2.96Å; Y923-R925 VanDerWaalsContact C-N 3.34Å; Y923-R925 PolarHBondContact O-N 3.25Å; Y923-V926 PolarHBondContact O-N 2.98Å; Y923-N927 WeakPolarHBondContact O-CB 3.27Å; Y923-N927 VanDerWaalsContact O-CG 3.28Å; Y923-N927 PolarHBondContact O-N 3.3Å; Y923-N927 PolarHBondContact O-ND2 3.34Å; Y923-V1051 HydrophobicContact CD1-CG2 3.99Å; Y923-V1051 HydrophobicContact CE1-CG2 3.91Å |
| 924 | G | 83.2 | Confident | 78.6 | Confident | 6 Ų | 6 | 56 Ų | 56 | 6% | 0.062 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -55.2 | -46.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | D919 S921 N927 Y928 | D919-G924 VanDerWaalsContact CG-CA 3.45Å; D919-G924 WeakPolarHBondContact OD2-CA 3.31Å; D919-G924 PolarHBondContact OD2-N 2.98Å; S921-G924 PolarHBondContact O-N 3.05Å; S921-G924 PolarHBondContact OG-N 3.5Å; G924-N927 PolarHBondContact O-N 3.2Å; G924-Y928 WeakPolarHBondContact O-CB 3.35Å; G924-Y928 PolarHBondContact O-N 3.44Å |
| 925 | R | 86.8 | Confident | 80.8 | Confident | 4 Ų | 4 | 60.1 Ų | 60.1 | 2% | 0.015 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -66.2 | -39.9 | 176.5 | -60.9 | -40.5 | -63.6 | 145.7 | 2.4 | 112.2 | E903 L906 L907 F920 S921 Y923 Y928 V929 L1054 | E903-R925 PolarHBondContact O-NH2 3.42Å; L906-R925 WeakPolarHBondContact O-CD 3.45Å; L906-R925 PolarHBondContact O-NE 3.35Å; L906-R925 VanDerWaalsContact O-NE 3.15Å; L907-R925 HydrophobicContact CD1-CG 3.77Å; F920-R925 VanDerWaalsContact CA-CD 3.49Å; S921-R925 VanDerWaalsContact O-CG 3.29Å; S921-R925 WeakPolarHBondContact O-CG 3.42Å; S921-R925 PolarHBondContact O-N 2.89Å; Y923-R925 VanDerWaalsContact C-N 3.34Å; Y923-R925 PolarHBondContact O-N 3.25Å; R925-Y928 VanDerWaalsContact NH2-CE1 3.28Å; R925-Y928 WeakPolarHBondContact O-CB 3.28Å; R925-Y928 PolarHBondContact O-N 3.37Å; R925-V929 VanDerWaalsContact O-CG2 3.32Å; R925-V929 WeakPolarHBondContact O-CG2 3.36Å; R925-V929 PolarHBondContact O-N 3.47Å; R925-L1054 HydrophobicContact CB-CD1 3.56Å; R925-L1054 HydrophobicContact CB-CD2 4.18Å |
| 926 | V | 86.4 | Confident | 82.9 | Confident | 6 Ų | 6 | 55.5 Ų | 55.5 | 4% | 0.036 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.4 | -46 | 174.5 | 170.9 | 0 | 0 | 0 | 0 | 110.5 | K922 Y923 Y928 V929 L930 F1041 R1050 V1051 L1054 | K922-V926 WeakPolarHBondContact O-CG2 3.43Å; K922-V926 PolarHBondContact O-N 2.91Å; Y923-V926 PolarHBondContact O-N 2.98Å; V926-Y928 VanDerWaalsContact C-N 3.32Å; V926-Y928 PolarHBondContact O-N 3.01Å; V926-V929 PolarHBondContact O-N 3.22Å; V926-L930 HydrophobicContact CG1-CD1 3.86Å; V926-L930 HydrophobicContact CG1-CG 4.27Å; V926-L930 WeakPolarHBondContact O-CB 3.1Å; V926-L930 VanDerWaalsContact O-CG 3.22Å; V926-L930 WeakPolarHBondContact O-CG 3.4Å; V926-L930 PolarHBondContact O-N 2.87Å; V926-F1041 HydrophobicContact CG2-CE1 4.38Å; V926-R1050 HydrophobicContact CG1-CB 3.99Å; V926-R1050 HydrophobicContact CG2-CB 4.06Å; V926-V1051 HydrophobicContact CG2-CG2 3.9Å; V926-L1054 HydrophobicContact CG2-CD1 4.07Å |
| 927 | N | 87.1 | Confident | 84.8 | Confident | 101 Ų | 101 | 54.3 Ų | 54.3 | 54% | 0.54 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62.6 | -39.3 | 177.2 | -70.7 | -21.1 | 0 | 0 | 0 | 111.9 | Y923 G924 L930 S931 | Y923-N927 WeakPolarHBondContact O-CB 3.27Å; Y923-N927 VanDerWaalsContact O-CG 3.28Å; Y923-N927 PolarHBondContact O-N 3.3Å; Y923-N927 PolarHBondContact O-ND2 3.34Å; G924-N927 PolarHBondContact O-N 3.2Å; N927-L930 PolarHBondContact O-N 3.3Å; N927-S931 WeakPolarHBondContact O-CB 3.32Å; N927-S931 PolarHBondContact O-N 3.16Å; N927-S931 PolarHBondContact O-OG 2.69Å |
| 928 | Y | 88.7 | Confident | 86.7 | Confident | 54 Ų | 54 | 51 Ų | 51 | 21% | 0.212 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.8 | -48.4 | 172 | 173.8 | -92.5 | 0 | 0 | 0 | 111.7 | R904 G924 R925 V926 L930 S931 Q932 | R904-Y928 HydrophobicContact CB-CE1 4.19Å; G924-Y928 WeakPolarHBondContact O-CB 3.35Å; G924-Y928 PolarHBondContact O-N 3.44Å; R925-Y928 VanDerWaalsContact NH2-CE1 3.28Å; R925-Y928 WeakPolarHBondContact O-CB 3.28Å; R925-Y928 PolarHBondContact O-N 3.37Å; V926-Y928 VanDerWaalsContact C-N 3.32Å; V926-Y928 PolarHBondContact O-N 3.01Å; Y928-L930 VanDerWaalsContact C-N 3.34Å; Y928-L930 PolarHBondContact O-N 2.96Å; Y928-S931 PolarHBondContact O-N 2.91Å; Y928-S931 PolarHBondContact O-OG 2.78Å; Y928-Q932 WeakPolarHBondContact O-CB 3.47Å; Y928-Q932 PolarHBondContact O-N 3.49Å |
| 929 | V | 88.7 | Confident | 87.8 | Confident | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.006 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.2 | -42.9 | 177.9 | 166.8 | 0 | 0 | 0 | 0 | 111.1 | R925 V926 Q932 R933 F1038 F1041 L1054 | R925-V929 VanDerWaalsContact O-CG2 3.32Å; R925-V929 WeakPolarHBondContact O-CG2 3.36Å; R925-V929 PolarHBondContact O-N 3.47Å; V926-V929 PolarHBondContact O-N 3.22Å; V929-Q932 PolarHBondContact O-N 3.43Å; V929-R933 WeakPolarHBondContact O-CB 3.28Å; V929-R933 PolarHBondContact O-N 2.84Å; V929-F1038 HydrophobicContact CB-CE1 4.37Å; V929-F1038 HydrophobicContact CG1-CB 4.34Å; V929-F1038 HydrophobicContact CG1-CD1 3.44Å; V929-F1038 VanDerWaalsContact CG1-CD1 3.44Å; V929-F1038 HydrophobicContact CG1-CD2 4.33Å; V929-F1038 HydrophobicContact CG1-CE1 3.73Å; V929-F1038 HydrophobicContact CG1-CG 3.78Å; V929-F1038 HydrophobicContact CG1-CZ 4.29Å; V929-F1038 HydrophobicContact CG2-CD1 4.48Å; V929-F1038 HydrophobicContact CG2-CE1 3.97Å; V929-F1038 HydrophobicContact CG2-CZ 4.4Å; V929-F1041 HydrophobicContact CG1-CB 4.23Å; V929-F1041 HydrophobicContact CG1-CD1 3.99Å; V929-F1041 HydrophobicContact CG1-CD2 3.78Å; V929-F1041 HydrophobicContact CG1-CE1 4.25Å; V929-F1041 HydrophobicContact CG1-CE2 4.03Å; V929-F1041 HydrophobicContact CG1-CG 3.74Å; V929-F1041 HydrophobicContact CG1-CZ 4.25Å; V929-L1054 HydrophobicContact CG2-CD1 4.37Å |
| 930 | L | 89.1 | Confident | 88.9 | Confident | 30 Ų | 30 | 44.9 Ų | 44.9 | 16% | 0.157 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -66.3 | -41.4 | 178.6 | -66.7 | 173.2 | 0 | 0 | 0 | 112.4 | V926 N927 Y928 L934 F1041 | V926-L930 HydrophobicContact CG1-CD1 3.86Å; V926-L930 HydrophobicContact CG1-CG 4.27Å; V926-L930 WeakPolarHBondContact O-CB 3.1Å; V926-L930 VanDerWaalsContact O-CG 3.22Å; V926-L930 WeakPolarHBondContact O-CG 3.4Å; V926-L930 PolarHBondContact O-N 2.87Å; N927-L930 PolarHBondContact O-N 3.3Å; Y928-L930 VanDerWaalsContact C-N 3.34Å; Y928-L930 PolarHBondContact O-N 2.96Å; L930-L934 PolarHBondContact O-N 3.14Å; L930-F1041 HydrophobicContact CD2-CB 4.45Å |
| 931 | S | 90.5 | Very high | 89.6 | Confident | 64 Ų | 64 | 49.1 Ų | 49.1 | 45% | 0.448 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -70.2 | -39.6 | 176.8 | 68 | 0 | 0 | 0 | 0 | 111.6 | N927 Y928 L934 R935 | N927-S931 WeakPolarHBondContact O-CB 3.32Å; N927-S931 PolarHBondContact O-N 3.16Å; N927-S931 PolarHBondContact O-OG 2.69Å; Y928-S931 PolarHBondContact O-N 2.91Å; Y928-S931 PolarHBondContact O-OG 2.78Å; S931-L934 PolarHBondContact O-N 3.29Å; S931-R935 PolarHBondContact O-N 3.39Å |
| 932 | Q | 90.9 | Very high | 90.4 | Very high | 27 Ų | 27 | 50.8 Ų | 50.8 | 13% | 0.126 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.2 | -41.5 | 175.1 | -170.6 | 73.3 | -27.4 | 0 | 0 | 111.5 | Y928 V929 L934 R935 L936 F1038 | Y928-Q932 WeakPolarHBondContact O-CB 3.47Å; Y928-Q932 PolarHBondContact O-N 3.49Å; V929-Q932 PolarHBondContact O-N 3.43Å; Q932-L934 VanDerWaalsContact C-N 3.34Å; Q932-L934 PolarHBondContact O-N 2.89Å; Q932-R935 VanDerWaalsContact CD-NH2 3.33Å; Q932-R935 WeakPolarHBondContact O-CB 3.49Å; Q932-R935 PolarHBondContact O-N 3.08Å; Q932-R935 VanDerWaalsContact O-N 3.14Å; Q932-L936 HydrophobicContact CG-CD1 4.15Å; Q932-L936 HydrophobicContact CG-CG 4.43Å; Q932-L936 VanDerWaalsContact O-CG 3.3Å; Q932-L936 WeakPolarHBondContact O-CG 3.35Å; Q932-L936 PolarHBondContact O-N 3.45Å; Q932-F1038 HydrophobicContact CB-CE2 4.05Å; Q932-F1038 HydrophobicContact CG-CE2 3.77Å; Q932-F1038 HydrophobicContact CG-CZ 4.31Å |
| 933 | R | 92.9 | Very high | 91.1 | Very high | 39 Ų | 39 | 48.6 Ų | 48.6 | 15% | 0.147 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -55 | -49.3 | 172.5 | -173.1 | -167.4 | 72.6 | -135.9 | -1 | 111.4 | V929 R935 L936 L937 L1035 F1038 | V929-R933 WeakPolarHBondContact O-CB 3.28Å; V929-R933 PolarHBondContact O-N 2.84Å; R933-R935 VanDerWaalsContact C-N 3.29Å; R933-R935 PolarHBondContact O-N 2.75Å; R933-L936 PolarHBondContact O-N 3.36Å; R933-L937 HydrophobicContact CG-CD1 4.27Å; R933-L937 WeakPolarHBondContact O-CG 3.42Å; R933-L937 PolarHBondContact O-N 3.04Å; R933-L1035 HydrophobicContact CG-CD2 3.94Å; R933-F1038 HydrophobicContact CB-CB 4.46Å; R933-F1038 HydrophobicContact CB-CD2 4.17Å; R933-F1038 HydrophobicContact CG-CB 4.41Å |
| 934 | L | 93.7 | Very high | 91.8 | Very high | 97 Ų | 97 | 42.4 Ų | 42.4 | 51% | 0.508 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -62.3 | -37.8 | 178.1 | -67.8 | 174.8 | 0 | 0 | 0 | 112 | L930 S931 Q932 K938 | L930-L934 PolarHBondContact O-N 3.14Å; S931-L934 PolarHBondContact O-N 3.29Å; Q932-L934 VanDerWaalsContact C-N 3.34Å; Q932-L934 PolarHBondContact O-N 2.89Å; L934-K938 WeakPolarHBondContact O-CG 3.46Å; L934-K938 PolarHBondContact O-N 3.33Å; L934-K938 VanDerWaalsContact O-N 3.16Å |
| 935 | R | 94.2 | Very high | 92.3 | Very high | 104 Ų | 104 | 47.8 Ų | 47.8 | 39% | 0.392 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -63.5 | -45.4 | 174.3 | -170.6 | -172.5 | 69 | 80.1 | 3.3 | 111.6 | S931 Q932 R933 K938 E939 | S931-R935 PolarHBondContact O-N 3.39Å; Q932-R935 VanDerWaalsContact CD-NH2 3.33Å; Q932-R935 WeakPolarHBondContact O-CB 3.49Å; Q932-R935 PolarHBondContact O-N 3.08Å; Q932-R935 VanDerWaalsContact O-N 3.14Å; R933-R935 VanDerWaalsContact C-N 3.29Å; R933-R935 PolarHBondContact O-N 2.75Å; R935-K938 WeakPolarHBondContact O-CB 3.3Å; R935-K938 PolarHBondContact O-N 3.44Å; R935-E939 PolarHBondContact O-N 3.12Å; R935-E939 VanDerWaalsContact O-N 3.14Å |
| 936 | L | 95 | Very high | 92.7 | Very high | 2 Ų | 2 | 48.4 Ų | 48.4 | 1% | 0.01 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -66.6 | -38.5 | 179 | -68.5 | 168.2 | 0 | 0 | 0 | 112 | Q932 R933 K938 E939 V940 V1031 E1034 L1035 F1038 | Q932-L936 HydrophobicContact CG-CD1 4.15Å; Q932-L936 HydrophobicContact CG-CG 4.43Å; Q932-L936 VanDerWaalsContact O-CG 3.3Å; Q932-L936 WeakPolarHBondContact O-CG 3.35Å; Q932-L936 PolarHBondContact O-N 3.45Å; R933-L936 PolarHBondContact O-N 3.36Å; L936-K938 VanDerWaalsContact C-N 3.3Å; L936-K938 PolarHBondContact O-N 3.34Å; L936-E939 WeakPolarHBondContact O-CA 3.4Å; L936-E939 WeakPolarHBondContact O-CB 3.25Å; L936-E939 PolarHBondContact O-N 3.46Å; L936-V940 WeakPolarHBondContact O-CG2 3.31Å; L936-V940 PolarHBondContact O-N 3.36Å; L936-V1031 HydrophobicContact CB-CG1 4.35Å; L936-V1031 HydrophobicContact CD2-CB 4.33Å; L936-V1031 HydrophobicContact CD2-CG1 4.01Å; L936-V1031 HydrophobicContact CD2-CG2 4.19Å; L936-E1034 HydrophobicContact CD1-CB 3.64Å; L936-E1034 HydrophobicContact CD1-CG 4.49Å; L936-L1035 HydrophobicContact CB-CD1 4.16Å; L936-L1035 HydrophobicContact CB-CD2 3.69Å; L936-L1035 HydrophobicContact CB-CG 3.79Å; L936-L1035 HydrophobicContact CD1-CD2 4.28Å; L936-L1035 HydrophobicContact CD1-CG 4.2Å; L936-F1038 HydrophobicContact CD1-CD2 4Å; L936-F1038 HydrophobicContact CD1-CE2 3.78Å |
| 937 | L | 95.4 | Very high | 93.1 | Very high | 12 Ų | 12 | 48.6 Ų | 48.6 | 6% | 0.063 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.5 | -37.2 | 173.7 | -71.7 | 174.7 | 0 | 0 | 0 | 111.8 | R933 E939 V940 E941 A954 A960 L1035 | R933-L937 HydrophobicContact CG-CD1 4.27Å; R933-L937 WeakPolarHBondContact O-CG 3.42Å; R933-L937 PolarHBondContact O-N 3.04Å; L937-E939 VanDerWaalsContact C-N 3.31Å; L937-E939 PolarHBondContact O-N 2.8Å; L937-V940 WeakPolarHBondContact O-CA 3.42Å; L937-V940 WeakPolarHBondContact O-CB 3.14Å; L937-V940 PolarHBondContact O-N 2.7Å; L937-V940 VanDerWaalsContact O-N 3.13Å; L937-E941 PolarHBondContact O-N 3.08Å; L937-A954 WeakPolarHBondContact CB-O 3.04Å; L937-A954 WeakPolarHBondContact CD2-O 3.26Å; L937-A954 VanDerWaalsContact O-CB 3.31Å; L937-A954 WeakPolarHBondContact O-CB 3.17Å; L937-A960 HydrophobicContact CD2-CB 4.1Å; L937-L1035 HydrophobicContact CD2-CD1 4.07Å; L937-L1035 HydrophobicContact CD2-CD2 3.88Å; L937-L1035 HydrophobicContact CG-CD2 3.92Å |
| 938 | K | 94.5 | Very high | 93.3 | Very high | 141 Ų | 141 | 49.6 Ų | 49.6 | 61% | 0.613 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -64.4 | -33.7 | 171.1 | -71.1 | 176.7 | 179.1 | -176 | 0 | 113 | L934 R935 L936 V940 E941 R942 | L934-K938 WeakPolarHBondContact O-CG 3.46Å; L934-K938 PolarHBondContact O-N 3.33Å; L934-K938 VanDerWaalsContact O-N 3.16Å; R935-K938 WeakPolarHBondContact O-CB 3.3Å; R935-K938 PolarHBondContact O-N 3.44Å; L936-K938 VanDerWaalsContact C-N 3.3Å; L936-K938 PolarHBondContact O-N 3.34Å; K938-V940 VanDerWaalsContact C-N 3.34Å; K938-E941 PolarHBondContact O-N 3.26Å; K938-R942 PolarHBondContact O-N 3.42Å |
| 939 | E | 94.4 | Very high | 93.4 | Very high | 29 Ų | 29 | 47.8 Ų | 47.8 | 14% | 0.136 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -66.3 | -38 | 171.4 | -66.6 | -67.8 | 127.7 | 0 | 0 | 111.2 | R935 L936 L937 R942 L943 F998 V1031 | R935-E939 PolarHBondContact O-N 3.12Å; R935-E939 VanDerWaalsContact O-N 3.14Å; L936-E939 WeakPolarHBondContact O-CA 3.4Å; L936-E939 WeakPolarHBondContact O-CB 3.25Å; L936-E939 PolarHBondContact O-N 3.46Å; L937-E939 VanDerWaalsContact C-N 3.31Å; L937-E939 PolarHBondContact O-N 2.8Å; E939-R942 PolarHBondContact O-N 2.82Å; E939-R942 IonicContact OE1-CZ 2.79Å; E939-R942 IonicContact OE1-NH1 3.14Å; E939-R942 PolarHBondContact OE1-NH1 2.92Å; E939-R942 IonicContact OE1-NH2 3.55Å; E939-R942 IonicContact OE2-CZ 2.89Å; E939-R942 IonicContact OE2-NH1 3.44Å; E939-R942 PolarHBondContact OE2-NH1 2.62Å; E939-R942 IonicContact OE2-NH2 3.75Å; E939-R942 PolarHBondContact OE2-NH2 2.63Å; E939-L943 WeakPolarHBondContact O-CB 3.49Å; E939-L943 PolarHBondContact O-N 3.03Å; E939-F998 WeakPolarHBondContact O-CE2 3.46Å; E939-V1031 HydrophobicContact CB-CG1 4.3Å |
| 940 | V | 96.2 | Very high | 93.3 | Very high | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.006 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.8 | -42 | 173.2 | 175 | 0 | 0 | 0 | 0 | 111.4 | L936 L937 K938 L943 Q944 V953 A954 A960 F963 V1031 F1032 L1035 | L936-V940 WeakPolarHBondContact O-CG2 3.31Å; L936-V940 PolarHBondContact O-N 3.36Å; L937-V940 WeakPolarHBondContact O-CA 3.42Å; L937-V940 WeakPolarHBondContact O-CB 3.14Å; L937-V940 PolarHBondContact O-N 2.7Å; L937-V940 VanDerWaalsContact O-N 3.13Å; K938-V940 VanDerWaalsContact C-N 3.34Å; V940-L943 PolarHBondContact O-N 3.35Å; V940-Q944 WeakPolarHBondContact O-CB 3.37Å; V940-Q944 PolarHBondContact O-N 2.9Å; V940-V953 HydrophobicContact CG1-CG2 3.99Å; V940-A954 HydrophobicContact CB-CB 4.38Å; V940-A954 HydrophobicContact CG1-CB 4.27Å; V940-A960 HydrophobicContact CG1-CB 4.07Å; V940-A960 HydrophobicContact CG2-CB 4.23Å; V940-F963 HydrophobicContact CG1-CD1 3.83Å; V940-F963 HydrophobicContact CG1-CE1 4.15Å; V940-V1031 HydrophobicContact CG2-CG1 4.02Å; V940-F1032 HydrophobicContact CB-CE1 4.46Å; V940-F1032 HydrophobicContact CG1-CE1 4.05Å; V940-F1032 HydrophobicContact CG1-CZ 4.32Å; V940-F1032 HydrophobicContact CG2-CD1 4.22Å; V940-F1032 HydrophobicContact CG2-CE1 3.56Å; V940-F1032 HydrophobicContact CG2-CZ 3.9Å; V940-L1035 HydrophobicContact CG2-CD1 3.55Å |
| 941 | E | 94.9 | Very high | 93.2 | Very high | 91 Ų | 91 | 54.8 Ų | 54.8 | 43% | 0.425 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -61 | -44.9 | 174.1 | -172 | 179.3 | -166.7 | 0 | 0 | 111.2 | L937 K938 L943 Q944 H945 A954 | L937-E941 PolarHBondContact O-N 3.08Å; K938-E941 PolarHBondContact O-N 3.26Å; E941-L943 VanDerWaalsContact C-N 3.33Å; E941-L943 PolarHBondContact O-N 2.85Å; E941-Q944 WeakPolarHBondContact O-CB 3.29Å; E941-Q944 PolarHBondContact O-N 3.07Å; E941-H945 PolarHBondContact O-CD2 3.24Å; E941-H945 PolarHBondContact O-N 2.81Å; E941-A954 HydrophobicContact CB-CB 3.69Å; E941-A954 HydrophobicContact CG-CB 4.46Å |
| 942 | R | 94.7 | Very high | 93 | Very high | 68 Ų | 68 | 56.7 Ų | 56.7 | 26% | 0.257 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -61 | -42.6 | 174.4 | -171.5 | 177.6 | 84.3 | -130.9 | -5.1 | 111.6 | Y820 K938 E939 H945 S946 F998 N1001 | Y820-R942 PolarHBondContact OH-NH2 2.95Å; K938-R942 PolarHBondContact O-N 3.42Å; E939-R942 PolarHBondContact O-N 2.82Å; E939-R942 IonicContact OE1-CZ 2.79Å; E939-R942 IonicContact OE1-NH1 3.14Å; E939-R942 PolarHBondContact OE1-NH1 2.92Å; E939-R942 IonicContact OE1-NH2 3.55Å; E939-R942 IonicContact OE2-CZ 2.89Å; E939-R942 IonicContact OE2-NH1 3.44Å; E939-R942 PolarHBondContact OE2-NH1 2.62Å; E939-R942 IonicContact OE2-NH2 3.75Å; E939-R942 PolarHBondContact OE2-NH2 2.63Å; R942-H945 PolarHBondContact O-N 3.09Å; R942-S946 WeakPolarHBondContact O-CB 3.42Å; R942-S946 PolarHBondContact O-N 3.22Å; R942-F998 HydrophobicContact CB-CD2 4.38Å; R942-F998 HydrophobicContact CB-CE2 4.05Å; R942-F998 HydrophobicContact CG-CD2 4.08Å; R942-F998 HydrophobicContact CG-CE2 4.13Å; R942-F998 PolarHBondContact NE-O 2.81Å; R942-F998 VanDerWaalsContact NH2-CE2 3.3Å; R942-N1001 PolarHBondContact NH1-ND2 3.4Å |
| 943 | L | 95.9 | Very high | 92.9 | Very high | 3 Ų | 3 | 56.4 Ų | 56.4 | 2% | 0.016 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64 | -42.7 | 176.8 | -177 | 60 | 0 | 0 | 0 | 111.2 | E939 V940 E941 H945 S946 L947 F963 V968 F995 F998 I1028 F1032 | E939-L943 WeakPolarHBondContact O-CB 3.49Å; E939-L943 PolarHBondContact O-N 3.03Å; V940-L943 PolarHBondContact O-N 3.35Å; E941-L943 VanDerWaalsContact C-N 3.33Å; E941-L943 PolarHBondContact O-N 2.85Å; L943-H945 PolarHBondContact O-N 2.86Å; L943-S946 WeakPolarHBondContact CA-OG 3.27Å; L943-S946 PolarHBondContact O-N 2.85Å; L943-S946 PolarHBondContact O-OG 3.14Å; L943-L947 HydrophobicContact CD1-CD1 4.07Å; L943-L947 HydrophobicContact CD1-CG 4.31Å; L943-L947 HydrophobicContact CG-CD1 4.16Å; L943-L947 WeakPolarHBondContact O-CG 3.46Å; L943-L947 PolarHBondContact O-N 3.28Å; L943-L947 VanDerWaalsContact O-N 3.16Å; L943-F963 HydrophobicContact CB-CE1 4.39Å; L943-F963 HydrophobicContact CD2-CE1 4.05Å; L943-F963 HydrophobicContact CG-CE1 4.08Å; L943-F963 HydrophobicContact CG-CZ 4.26Å; L943-V968 HydrophobicContact CD2-CG1 4.3Å; L943-V968 HydrophobicContact CD2-CG2 3.88Å; L943-F995 HydrophobicContact CD1-CD1 4.03Å; L943-F998 HydrophobicContact CB-CD2 3.78Å; L943-F998 HydrophobicContact CB-CE2 3.74Å; L943-F998 HydrophobicContact CB-CG 4.47Å; L943-F998 HydrophobicContact CB-CZ 4.42Å; L943-F998 HydrophobicContact CD1-CB 3.92Å; L943-F998 HydrophobicContact CD1-CD1 4.18Å; L943-F998 HydrophobicContact CD1-CD2 3.89Å; L943-F998 HydrophobicContact CD1-CE2 4.46Å; L943-F998 HydrophobicContact CD1-CG 3.72Å; L943-F998 HydrophobicContact CG-CD2 4.44Å; L943-I1028 HydrophobicContact CD1-CD1 4.37Å; L943-I1028 HydrophobicContact CD2-CG2 3.81Å; L943-F1032 HydrophobicContact CD2-CE2 3.88Å; L943-F1032 HydrophobicContact CD2-CZ 3.99Å |
| 944 | Q | 95.1 | Very high | 92.6 | Very high | 10 Ų | 10 | 55.2 Ų | 55.2 | 5% | 0.047 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -56.2 | -50.7 | 174.8 | -177.4 | -165.9 | -4 | 0 | 0 | 111.6 | V940 E941 S946 L947 D948 V949 G951 V953 F963 | V940-Q944 WeakPolarHBondContact O-CB 3.37Å; V940-Q944 PolarHBondContact O-N 2.9Å; E941-Q944 WeakPolarHBondContact O-CB 3.29Å; E941-Q944 PolarHBondContact O-N 3.07Å; Q944-S946 VanDerWaalsContact C-N 3.35Å; Q944-S946 PolarHBondContact O-N 3.13Å; Q944-L947 PolarHBondContact O-N 2.94Å; Q944-D948 PolarHBondContact O-N 3.21Å; Q944-V949 HydrophobicContact CG-CB 4.13Å; Q944-V949 VanDerWaalsContact CG-O 3.27Å; Q944-V949 WeakPolarHBondContact CG-O 2.96Å; Q944-V949 PolarHBondContact NE2-O 3.49Å; Q944-V949 PolarHBondContact O-N 3.09Å; Q944-G951 PolarHBondContact NE2-O 2.78Å; Q944-V953 HydrophobicContact CB-CG2 3.83Å; Q944-V953 HydrophobicContact CG-CG2 3.82Å; Q944-F963 HydrophobicContact CB-CE2 4.32Å; Q944-F963 HydrophobicContact CB-CZ 4.01Å; Q944-F963 HydrophobicContact CG-CE2 4.38Å |
| 945 | H | 93.7 | Very high | 92.3 | Very high | 119 Ų | 119 | 58.9 Ų | 58.9 | 55% | 0.551 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -62.7 | -40.7 | 177.8 | -72.7 | -50 | 0 | 0 | 0 | 112.3 | E941 R942 L943 L947 D948 | E941-H945 PolarHBondContact O-CD2 3.24Å; E941-H945 PolarHBondContact O-N 2.81Å; R942-H945 PolarHBondContact O-N 3.09Å; L943-H945 PolarHBondContact O-N 2.86Å; H945-L947 PolarHBondContact O-N 3.45Å; H945-D948 PolarHBondContact O-N 3.43Å |
| 946 | S | 94.6 | Very high | 92.2 | Very high | 18 Ų | 18 | 55 Ų | 55 | 13% | 0.126 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.1 | -23.3 | 177.9 | 77.7 | 0 | 0 | 0 | 0 | 113.6 | R942 L943 Q944 | R942-S946 WeakPolarHBondContact O-CB 3.42Å; R942-S946 PolarHBondContact O-N 3.22Å; L943-S946 WeakPolarHBondContact CA-OG 3.27Å; L943-S946 PolarHBondContact O-N 2.85Å; L943-S946 PolarHBondContact O-OG 3.14Å; Q944-S946 VanDerWaalsContact C-N 3.35Å; Q944-S946 PolarHBondContact O-N 3.13Å |
| 947 | L | 94.2 | Very high | 92.1 | Very high | 10 Ų | 10 | 55 Ų | 55 | 5% | 0.052 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | 1.8 | -178.9 | -66.4 | 179.3 | 0 | 0 | 0 | 113.8 | L943 Q944 H945 V949 F963 V968 R971 P994 F995 | L943-L947 HydrophobicContact CD1-CD1 4.07Å; L943-L947 HydrophobicContact CD1-CG 4.31Å; L943-L947 HydrophobicContact CG-CD1 4.16Å; L943-L947 WeakPolarHBondContact O-CG 3.46Å; L943-L947 PolarHBondContact O-N 3.28Å; L943-L947 VanDerWaalsContact O-N 3.16Å; Q944-L947 PolarHBondContact O-N 2.94Å; H945-L947 PolarHBondContact O-N 3.45Å; L947-V949 HydrophobicContact CB-CG2 3.96Å; L947-V949 PolarHBondContact O-N 3.21Å; L947-F963 HydrophobicContact CD1-CZ 4.1Å; L947-V968 HydrophobicContact CD1-CG2 4.37Å; L947-R971 PolarHBondContact O-NH2 3.31Å; L947-P994 WeakPolarHBondContact CD2-O 3.18Å; L947-F995 HydrophobicContact CD1-CD1 4.32Å; L947-F995 HydrophobicContact CD1-CE1 4.11Å; L947-F995 HydrophobicContact CD2-CD1 4Å; L947-F995 HydrophobicContact CD2-CE1 4.29Å |
| 948 | D | 92.6 | Very high | 92 | Very high | 121 Ų | 121 | 57.8 Ų | 57.8 | 65% | 0.647 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.7 | 36.1 | -177.6 | -62.1 | -50.7 | 0 | 0 | 0 | 113.1 | Q944 H945 R997 | Q944-D948 PolarHBondContact O-N 3.21Å; H945-D948 PolarHBondContact O-N 3.43Å; D948-R997 IonicContact OD1-NH1 2.79Å; D948-R997 IonicContact OD2-NH1 3.73Å; D948-R997 PolarHBondContact OD2-NH1 3.13Å |
| 949 | V | 91.2 | Very high | 91.9 | Very high | 16 Ų | 16 | 53 Ų | 53 | 10% | 0.097 | 28% | 0.284 | C | S | . | . | trans | -88.8 | 120.2 | 179.8 | 176 | 0 | 0 | 0 | 0 | 110.4 | Q944 L947 F963 Q967 | Q944-V949 HydrophobicContact CG-CB 4.13Å; Q944-V949 VanDerWaalsContact CG-O 3.27Å; Q944-V949 WeakPolarHBondContact CG-O 2.96Å; Q944-V949 PolarHBondContact NE2-O 3.49Å; Q944-V949 PolarHBondContact O-N 3.09Å; L947-V949 HydrophobicContact CB-CG2 3.96Å; L947-V949 PolarHBondContact O-N 3.21Å; V949-F963 HydrophobicContact CB-CE2 4.07Å; V949-F963 HydrophobicContact CG1-CD2 4.32Å; V949-F963 HydrophobicContact CG1-CE2 4.09Å; V949-F963 HydrophobicContact CG2-CE2 4.08Å; V949-Q967 HydrophobicContact CG1-CG 4.14Å; V949-Q967 HydrophobicContact CG2-CB 4.49Å; V949-Q967 HydrophobicContact CG2-CG 4.3Å | ||
| 950 | P | 86.5 | Confident | 92 | Very high | 118 Ų | 118 | 51.7 Ų | 51.7 | 77% | 0.766 | 28% | 0.278 | S | S | * | . | trans | -75.6 | 153.8 | 178 | 31.6 | -35.2 | 0 | 0 | 0 | 112.2 | ||||
| 951 | G | 86.1 | Confident | 91.9 | Very high | 60 Ų | 60 | 57 Ų | 57 | 62% | 0.619 | 30% | 0.298 | S | S | * | . | S | Bend | trans | 118.7 | -175 | 177 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q944 | Q944-G951 PolarHBondContact NE2-O 2.78Š|
| 952 | D | 86 | Confident | 91.8 | Very high | 105 Ų | 105 | 58.4 Ų | 58.4 | 56% | 0.561 | 30% | 0.3 | S | S | * | . | trans | -114.3 | 102.4 | 170.3 | -174.3 | -4.7 | 0 | 0 | 0 | 108.2 | A954 Y955 | D952-A954 PolarHBondContact OD1-N 3.14Å; D952-Y955 PolarHBondContact OD1-N 3.15Å | ||
| 953 | V | 89.1 | Confident | 91.9 | Very high | 20 Ų | 20 | 55.4 Ų | 55.4 | 12% | 0.121 | 29% | 0.289 | C | S | . | . | trans | -106.3 | -16.7 | -177.9 | -51 | 0 | 0 | 0 | 0 | 112.9 | V940 Q944 T959 A960 F963 | V940-V953 HydrophobicContact CG1-CG2 3.99Å; Q944-V953 HydrophobicContact CB-CG2 3.83Å; Q944-V953 HydrophobicContact CG-CG2 3.82Å; V953-T959 CarbonylContact O-C 3.58Å; V953-T959 VanDerWaalsContact O-C 3.23Å; V953-T959 WeakPolarHBondContact O-CB 3.39Å; V953-T959 PolarHBondContact O-OG1 2.89Å; V953-A960 VanDerWaalsContact O-CA 3.32Å; V953-A960 WeakPolarHBondContact O-CA 3.04Å; V953-A960 PolarHBondContact O-N 2.59Å; V953-F963 HydrophobicContact CB-CB 3.64Å; V953-F963 HydrophobicContact CB-CD2 4.2Å; V953-F963 HydrophobicContact CB-CG 3.9Å; V953-F963 HydrophobicContact CG1-CB 3.96Å; V953-F963 HydrophobicContact CG1-CD2 4Å; V953-F963 HydrophobicContact CG1-CG 4.17Å; V953-F963 HydrophobicContact CG2-CB 3.88Å; V953-F963 HydrophobicContact CG2-CD1 3.84Å; V953-F963 HydrophobicContact CG2-CD2 3.83Å; V953-F963 HydrophobicContact CG2-CE1 4.31Å; V953-F963 HydrophobicContact CG2-CE2 4.31Å; V953-F963 HydrophobicContact CG2-CG 3.58Å | ||
| 954 | A | 86.8 | Confident | 91.9 | Very high | 14 Ų | 14 | 56.6 Ų | 56.6 | 12% | 0.116 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -95.4 | 6.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | L937 V940 E941 D952 | L937-A954 WeakPolarHBondContact CB-O 3.04Å; L937-A954 WeakPolarHBondContact CD2-O 3.26Å; L937-A954 VanDerWaalsContact O-CB 3.31Å; L937-A954 WeakPolarHBondContact O-CB 3.17Å; V940-A954 HydrophobicContact CB-CB 4.38Å; V940-A954 HydrophobicContact CG1-CB 4.27Å; E941-A954 HydrophobicContact CB-CB 3.69Å; E941-A954 HydrophobicContact CG-CB 4.46Å; D952-A954 PolarHBondContact OD1-N 3.14Å |
| 955 | Y | 87.3 | Confident | 91.9 | Very high | 174 Ų | 174 | 59.2 Ų | 59.2 | 68% | 0.682 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -67.7 | -43.4 | -179.8 | -172.2 | -112.9 | 0 | 0 | 0 | 114.3 | D952 | D952-Y955 PolarHBondContact OD1-N 3.15Š|
| 956 | T | 91.7 | Very high | 91.9 | Very high | 23 Ų | 23 | 61 Ų | 61 | 14% | 0.141 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -134.1 | 161.9 | -177.6 | 63 | 0 | 0 | 0 | 0 | 111.4 | E958 T959 A960 E1042 | T956-E958 PolarHBondContact O-N 2.86Å; T956-E958 PolarHBondContact OG1-N 3.2Å; T956-T959 PolarHBondContact N-OG1 3Å; T956-T959 PolarHBondContact O-N 2.8Å; T956-T959 PolarHBondContact O-OG1 2.59Å; T956-T959 WeakPolarHBondContact OG1-CG2 3.41Å; T956-T959 PolarHBondContact OG1-N 3.46Å; T956-T959 PolarHBondContact OG1-OG1 3.5Å; T956-A960 WeakPolarHBondContact O-CB 2.97Å; T956-A960 PolarHBondContact O-N 3.39Å; T956-E1042 WeakPolarHBondContact CB-OE1 3.5Å; T956-E1042 WeakPolarHBondContact CG2-OE1 3.4Å |
| 957 | C | 92.7 | Very high | 91.9 | Very high | 3 Ų | 3 | 63.6 Ų | 63.6 | 2% | 0.02 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -59.8 | -31.7 | 171 | -69 | 0 | 0 | 0 | 0 | 111.6 | R961 L1035 R1039 E1042 | C957-R961 WeakPolarHBondContact O-CB 3.09Å; C957-R961 PolarHBondContact O-N 3.47Å; C957-L1035 PolarHBondContact SG-O 3.37Å; C957-R1039 HydrophobicContact CB-CB 4.01Å; C957-R1039 HydrophobicContact CB-CG 4.15Å; C957-E1042 VanDerWaalsContact CB-OE2 3.29Å; C957-E1042 WeakPolarHBondContact CB-OE2 3.34Å; C957-E1042 PolarHBondContact N-OE2 3.13Å; C957-E1042 PolarHBondContact SG-OE2 3.45Å |
| 958 | E | 93.2 | Very high | 92 | Very high | 70 Ų | 70 | 63.1 Ų | 63.1 | 33% | 0.327 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -71.7 | -45.4 | -179.7 | -180 | 160.7 | -179 | 0 | 0 | 113 | T956 A960 R961 Y962 R1039 | T956-E958 PolarHBondContact O-N 2.86Å; T956-E958 PolarHBondContact OG1-N 3.2Å; E958-A960 VanDerWaalsContact C-N 3.28Å; E958-A960 PolarHBondContact O-N 2.9Å; E958-R961 WeakPolarHBondContact O-CB 3.42Å; E958-R961 PolarHBondContact O-N 3.11Å; E958-Y962 HydrophobicContact CG-CD2 4.18Å; E958-Y962 HydrophobicContact CG-CE2 3.6Å; E958-Y962 WeakPolarHBondContact O-CD2 3.45Å; E958-Y962 PolarHBondContact O-N 3.04Å; E958-Y962 PolarHBondContact OE1-OH 3.08Å; E958-R1039 IonicContact OE1-NH2 2.94Å; E958-R1039 IonicContact OE2-CZ 2.68Å; E958-R1039 IonicContact OE2-NE 2.78Å; E958-R1039 IonicContact OE2-NH2 3.61Å; E958-R1039 PolarHBondContact OE2-NH2 2.91Å |
| 959 | T | 93.8 | Very high | 92.1 | Very high | 41 Ų | 41 | 59.3 Ų | 59.3 | 25% | 0.252 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -63 | -38 | 173.3 | 53.5 | 0 | 0 | 0 | 0 | 111.4 | V953 T956 R961 Y962 F963 | V953-T959 CarbonylContact O-C 3.58Å; V953-T959 VanDerWaalsContact O-C 3.23Å; V953-T959 WeakPolarHBondContact O-CB 3.39Å; V953-T959 PolarHBondContact O-OG1 2.89Å; T956-T959 PolarHBondContact N-OG1 3Å; T956-T959 PolarHBondContact O-N 2.8Å; T956-T959 PolarHBondContact O-OG1 2.59Å; T956-T959 WeakPolarHBondContact OG1-CG2 3.41Å; T956-T959 PolarHBondContact OG1-N 3.46Å; T956-T959 PolarHBondContact OG1-OG1 3.5Å; T959-R961 VanDerWaalsContact C-N 3.33Å; T959-R961 PolarHBondContact O-N 3.42Å; T959-Y962 PolarHBondContact O-N 2.77Å; T959-F963 PolarHBondContact O-N 2.89Å |
| 960 | A | 95.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.8 | -40.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | L937 V940 V953 T956 E958 F963 F964 F1032 L1035 | L937-A960 HydrophobicContact CD2-CB 4.1Å; V940-A960 HydrophobicContact CG1-CB 4.07Å; V940-A960 HydrophobicContact CG2-CB 4.23Å; V953-A960 VanDerWaalsContact O-CA 3.32Å; V953-A960 WeakPolarHBondContact O-CA 3.04Å; V953-A960 PolarHBondContact O-N 2.59Å; T956-A960 WeakPolarHBondContact O-CB 2.97Å; T956-A960 PolarHBondContact O-N 3.39Å; E958-A960 VanDerWaalsContact C-N 3.28Å; E958-A960 PolarHBondContact O-N 2.9Å; A960-F963 PolarHBondContact O-N 2.81Å; A960-F964 PolarHBondContact O-N 2.83Å; A960-F1032 HydrophobicContact CB-CD1 4.37Å; A960-F1032 HydrophobicContact CB-CE1 4.2Å; A960-F1032 VanDerWaalsContact O-CE1 3.27Å; A960-F1032 WeakPolarHBondContact O-CE1 3.33Å; A960-L1035 HydrophobicContact CB-CD1 4.06Å |
| 961 | R | 94.4 | Very high | 92.8 | Very high | 113 Ų | 113 | 60.1 Ų | 60.1 | 43% | 0.426 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.7 | -44.1 | 174.5 | -176.6 | -177.2 | 177.1 | 104.8 | 7.5 | 112.3 | C957 E958 T959 F963 F964 V965 D1036 | C957-R961 WeakPolarHBondContact O-CB 3.09Å; C957-R961 PolarHBondContact O-N 3.47Å; E958-R961 WeakPolarHBondContact O-CB 3.42Å; E958-R961 PolarHBondContact O-N 3.11Å; T959-R961 VanDerWaalsContact C-N 3.33Å; T959-R961 PolarHBondContact O-N 3.42Å; R961-F963 VanDerWaalsContact C-N 3.35Å; R961-F964 WeakPolarHBondContact O-CB 3.5Å; R961-F964 PolarHBondContact O-N 3.32Å; R961-V965 WeakPolarHBondContact O-CG2 3.42Å; R961-V965 PolarHBondContact O-N 2.88Å; R961-D1036 IonicContact CZ-OD1 3.95Å; R961-D1036 IonicContact NH1-OD1 3.24Å; R961-D1036 PolarHBondContact NH1-OD1 3.06Å; R961-D1036 IonicContact NH1-OD2 3.42Å; R961-D1036 PolarHBondContact NH1-OD2 3.22Å |
| 962 | Y | 94 | Very high | 93.3 | Very high | 120 Ų | 120 | 58.4 Ų | 58.4 | 47% | 0.471 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -62.7 | -42.8 | 175.8 | -69.7 | -54.1 | 0 | 0 | 0 | 111.8 | E958 T959 F964 V965 Y966 | E958-Y962 HydrophobicContact CG-CD2 4.18Å; E958-Y962 HydrophobicContact CG-CE2 3.6Å; E958-Y962 WeakPolarHBondContact O-CD2 3.45Å; E958-Y962 PolarHBondContact O-N 3.04Å; E958-Y962 PolarHBondContact OE1-OH 3.08Å; T959-Y962 PolarHBondContact O-N 2.77Å; Y962-F964 VanDerWaalsContact C-N 3.33Å; Y962-F964 PolarHBondContact O-N 2.85Å; Y962-V965 PolarHBondContact O-N 3.5Å; Y962-Y966 HydrophobicContact CD1-CD2 4.42Å; Y962-Y966 AromaticContact CD1-CE2 3.79Å; Y962-Y966 HydrophobicContact CD1-CE2 3.79Å; Y962-Y966 HydrophobicContact CG-CE2 4.47Å; Y962-Y966 WeakPolarHBondContact O-CB 3.35Å; Y962-Y966 WeakPolarHBondContact O-CD2 3.5Å; Y962-Y966 PolarHBondContact O-N 2.92Å |
| 963 | F | 96 | Very high | 93.8 | Very high | 6 Ų | 6 | 55.8 Ų | 55.8 | 3% | 0.026 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60 | -42.9 | 174.2 | 170.8 | -110 | 0 | 0 | 0 | 112.3 | V940 L943 Q944 L947 V949 V953 T959 A960 R961 Q967 V968 F1032 | V940-F963 HydrophobicContact CG1-CD1 3.83Å; V940-F963 HydrophobicContact CG1-CE1 4.15Å; L943-F963 HydrophobicContact CB-CE1 4.39Å; L943-F963 HydrophobicContact CD2-CE1 4.05Å; L943-F963 HydrophobicContact CG-CE1 4.08Å; L943-F963 HydrophobicContact CG-CZ 4.26Å; Q944-F963 HydrophobicContact CB-CE2 4.32Å; Q944-F963 HydrophobicContact CB-CZ 4.01Å; Q944-F963 HydrophobicContact CG-CE2 4.38Å; L947-F963 HydrophobicContact CD1-CZ 4.1Å; V949-F963 HydrophobicContact CB-CE2 4.07Å; V949-F963 HydrophobicContact CG1-CD2 4.32Å; V949-F963 HydrophobicContact CG1-CE2 4.09Å; V949-F963 HydrophobicContact CG2-CE2 4.08Å; V953-F963 HydrophobicContact CB-CB 3.64Å; V953-F963 HydrophobicContact CB-CD2 4.2Å; V953-F963 HydrophobicContact CB-CG 3.9Å; V953-F963 HydrophobicContact CG1-CB 3.96Å; V953-F963 HydrophobicContact CG1-CD2 4Å; V953-F963 HydrophobicContact CG1-CG 4.17Å; V953-F963 HydrophobicContact CG2-CB 3.88Å; V953-F963 HydrophobicContact CG2-CD1 3.84Å; V953-F963 HydrophobicContact CG2-CD2 3.83Å; V953-F963 HydrophobicContact CG2-CE1 4.31Å; V953-F963 HydrophobicContact CG2-CE2 4.31Å; V953-F963 HydrophobicContact CG2-CG 3.58Å; T959-F963 PolarHBondContact O-N 2.89Å; A960-F963 PolarHBondContact O-N 2.81Å; R961-F963 VanDerWaalsContact C-N 3.35Å; F963-Q967 HydrophobicContact CD2-CB 3.76Å; F963-Q967 HydrophobicContact CD2-CG 3.83Å; F963-Q967 HydrophobicContact CE2-CB 3.79Å; F963-Q967 HydrophobicContact CE2-CG 4.14Å; F963-Q967 WeakPolarHBondContact O-CB 3.32Å; F963-Q967 PolarHBondContact O-N 3.22Å; F963-V968 HydrophobicContact CD1-CG2 3.89Å; F963-V968 HydrophobicContact CE1-CG2 3.51Å; F963-V968 HydrophobicContact CE2-CG2 4.37Å; F963-V968 HydrophobicContact CG-CG2 4.48Å; F963-V968 HydrophobicContact CZ-CG2 3.77Å; F963-V968 PolarHBondContact O-N 3.4Å; F963-F1032 HydrophobicContact CD1-CE1 4.11Å; F963-F1032 AromaticContact CD1-CZ 3.86Å; F963-F1032 HydrophobicContact CD1-CZ 3.86Å; F963-F1032 HydrophobicContact CE1-CZ 4.08Å |
| 964 | F | 96.6 | Very high | 94 | Very high | 28 Ų | 28 | 58.3 Ų | 58.3 | 12% | 0.123 | 28% | 0.278 | C | S | . | . | I | π-helix | trans | -57.5 | -52.5 | 175.1 | -177.8 | -120.1 | 0 | 0 | 0 | 112 | A960 R961 Y962 V968 T969 W1025 R1029 F1032 | A960-F964 PolarHBondContact O-N 2.83Å; R961-F964 WeakPolarHBondContact O-CB 3.5Å; R961-F964 PolarHBondContact O-N 3.32Å; Y962-F964 VanDerWaalsContact C-N 3.33Å; Y962-F964 PolarHBondContact O-N 2.85Å; F964-V968 HydrophobicContact CD2-CB 3.84Å; F964-V968 HydrophobicContact CD2-CG1 3.78Å; F964-V968 HydrophobicContact CE2-CB 4.44Å; F964-V968 HydrophobicContact CE2-CG1 3.99Å; F964-V968 WeakPolarHBondContact O-CB 3.5Å; F964-V968 PolarHBondContact O-N 2.84Å; F964-T969 HydrophobicContact CD1-CG2 4.14Å; F964-T969 HydrophobicContact CD2-CG2 4.28Å; F964-T969 HydrophobicContact CE1-CG2 3.73Å; F964-T969 HydrophobicContact CE2-CG2 3.9Å; F964-T969 HydrophobicContact CG-CG2 4.39Å; F964-T969 HydrophobicContact CZ-CG2 3.59Å; F964-T969 PolarHBondContact O-N 2.87Å; F964-T969 PolarHBondContact O-OG1 3.36Å; F964-W1025 AromaticContact CE2-CH2 3.64Å; F964-W1025 HydrophobicContact CE2-CH2 3.64Å; F964-W1025 HydrophobicContact CE2-CZ2 4.26Å; F964-W1025 HydrophobicContact CE2-CZ3 4.25Å; F964-W1025 AromaticContact CZ-CH2 3.87Å; F964-W1025 HydrophobicContact CZ-CH2 3.87Å; F964-W1025 HydrophobicContact CZ-CZ2 4.07Å; F964-R1029 HydrophobicContact CZ-CB 4.34Å; F964-R1029 HydrophobicContact CZ-CG 3.93Å; F964-F1032 HydrophobicContact CB-CB 4.31Å; F964-F1032 HydrophobicContact CB-CD1 3.57Å; F964-F1032 HydrophobicContact CB-CD2 4Å; F964-F1032 HydrophobicContact CB-CE1 3.74Å; F964-F1032 HydrophobicContact CB-CE2 4.18Å; F964-F1032 HydrophobicContact CB-CG 3.69Å; F964-F1032 HydrophobicContact CB-CZ 4.04Å; F964-F1032 HydrophobicContact CD1-CB 4.16Å; F964-F1032 HydrophobicContact CD1-CG 4.32Å; F964-F1032 HydrophobicContact CD2-CB 4.16Å; F964-F1032 HydrophobicContact CD2-CD1 4.31Å; F964-F1032 AromaticContact CD2-CD2 3.13Å; F964-F1032 HydrophobicContact CD2-CD2 3.13Å; F964-F1032 AromaticContact CD2-CE2 3.46Å; F964-F1032 HydrophobicContact CD2-CE2 3.46Å; F964-F1032 VanDerWaalsContact CD2-CE2 3.46Å; F964-F1032 AromaticContact CD2-CG 3.62Å; F964-F1032 HydrophobicContact CD2-CG 3.62Å; F964-F1032 HydrophobicContact CD2-CZ 4.16Å; F964-F1032 AromaticContact CE2-CD2 3.7Å; F964-F1032 HydrophobicContact CE2-CD2 3.7Å; F964-F1032 HydrophobicContact CE2-CE2 4.23Å; F964-F1032 HydrophobicContact CE2-CG 4.35Å; F964-F1032 HydrophobicContact CG-CB 3.95Å; F964-F1032 HydrophobicContact CG-CD1 4.05Å; F964-F1032 AromaticContact CG-CD2 3.67Å; F964-F1032 HydrophobicContact CG-CD2 3.67Å; F964-F1032 HydrophobicContact CG-CE1 4.46Å; F964-F1032 HydrophobicContact CG-CE2 4.15Å; F964-F1032 AromaticContact CG-CG 3.61Å; F964-F1032 HydrophobicContact CG-CG 3.61Å |
| 965 | V | 94.3 | Very high | 94.5 | Very high | 65 Ų | 65 | 57.8 Ų | 57.8 | 39% | 0.394 | 27% | 0.273 | S | S | . | . | I | π-helix | trans | -70 | -37 | -174.9 | 173.9 | 0 | 0 | 0 | 0 | 113.4 | R961 Y962 T969 | R961-V965 WeakPolarHBondContact O-CG2 3.42Å; R961-V965 PolarHBondContact O-N 2.88Å; Y962-V965 PolarHBondContact O-N 3.5Å; V965-T969 WeakPolarHBondContact CA-OG1 3.44Å; V965-T969 PolarHBondContact O-OG1 3.29Å |
| 966 | Y | 93.7 | Very high | 94.8 | Very high | 156 Ų | 156 | 52.9 Ų | 52.9 | 61% | 0.612 | 26% | 0.259 | S | S | * | . | I | π-helix | trans | -93.8 | -32.4 | -174.3 | -67.6 | -61.5 | 0 | 0 | 0 | 113.6 | Y962 S970 | Y962-Y966 HydrophobicContact CD1-CD2 4.42Å; Y962-Y966 AromaticContact CD1-CE2 3.79Å; Y962-Y966 HydrophobicContact CD1-CE2 3.79Å; Y962-Y966 HydrophobicContact CG-CE2 4.47Å; Y962-Y966 WeakPolarHBondContact O-CB 3.35Å; Y962-Y966 WeakPolarHBondContact O-CD2 3.5Å; Y962-Y966 PolarHBondContact O-N 2.92Å; Y966-S970 WeakPolarHBondContact O-CB 3.47Å; Y966-S970 PolarHBondContact O-OG 3.46Å |
| 967 | Q | 94.1 | Very high | 94.9 | Very high | 73 Ų | 73 | 54.7 Ų | 54.7 | 34% | 0.341 | 27% | 0.27 | S | S | . | . | I | π-helix | trans | -108.8 | -49.8 | -173.8 | -61.2 | -68.5 | -15.2 | 0 | 0 | 112.1 | V949 F963 R971 | V949-Q967 HydrophobicContact CG1-CG 4.14Å; V949-Q967 HydrophobicContact CG2-CB 4.49Å; V949-Q967 HydrophobicContact CG2-CG 4.3Å; F963-Q967 HydrophobicContact CD2-CB 3.76Å; F963-Q967 HydrophobicContact CD2-CG 3.83Å; F963-Q967 HydrophobicContact CE2-CB 3.79Å; F963-Q967 HydrophobicContact CE2-CG 4.14Å; F963-Q967 WeakPolarHBondContact O-CB 3.32Å; F963-Q967 PolarHBondContact O-N 3.22Å; Q967-R971 WeakPolarHBondContact O-CB 3.46Å; Q967-R971 WeakPolarHBondContact O-CD 3.41Å; Q967-R971 WeakPolarHBondContact O-CG 3.42Å; Q967-R971 PolarHBondContact O-N 2.83Å |
| 968 | V | 96 | Very high | 94.9 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 29% | 0.288 | C | S | . | . | I | π-helix | trans | -77 | -52.4 | -170.5 | -179.9 | 0 | 0 | 0 | 0 | 111.1 | L943 L947 F963 F964 S970 R971 W972 F995 W1025 I1028 F1032 | L943-V968 HydrophobicContact CD2-CG1 4.3Å; L943-V968 HydrophobicContact CD2-CG2 3.88Å; L947-V968 HydrophobicContact CD1-CG2 4.37Å; F963-V968 HydrophobicContact CD1-CG2 3.89Å; F963-V968 HydrophobicContact CE1-CG2 3.51Å; F963-V968 HydrophobicContact CE2-CG2 4.37Å; F963-V968 HydrophobicContact CG-CG2 4.48Å; F963-V968 HydrophobicContact CZ-CG2 3.77Å; F963-V968 PolarHBondContact O-N 3.4Å; F964-V968 HydrophobicContact CD2-CB 3.84Å; F964-V968 HydrophobicContact CD2-CG1 3.78Å; F964-V968 HydrophobicContact CE2-CB 4.44Å; F964-V968 HydrophobicContact CE2-CG1 3.99Å; F964-V968 WeakPolarHBondContact O-CB 3.5Å; F964-V968 PolarHBondContact O-N 2.84Å; V968-S970 VanDerWaalsContact C-N 3.34Å; V968-S970 PolarHBondContact O-N 3.09Å; V968-R971 PolarHBondContact O-N 3.38Å; V968-W972 PolarHBondContact O-N 3.08Å; V968-W972 VanDerWaalsContact O-N 3.08Å; V968-F995 HydrophobicContact CG1-CE1 4.02Å; V968-F995 HydrophobicContact CG1-CZ 3.93Å; V968-W1025 HydrophobicContact CG1-CH2 4.33Å; V968-W1025 HydrophobicContact CG1-CZ3 3.79Å; V968-I1028 HydrophobicContact CG1-CG2 3.67Å; V968-F1032 HydrophobicContact CG1-CE2 4.45Å; V968-F1032 HydrophobicContact CG2-CE2 4.4Å; V968-F1032 HydrophobicContact CG2-CZ 4.28Å |
| 969 | T | 96.2 | Very high | 94.8 | Very high | 41 Ų | 41 | 56.1 Ų | 56.1 | 25% | 0.252 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -64.4 | -36.3 | 177.4 | 49.6 | 0 | 0 | 0 | 0 | 112.4 | F964 V965 R971 W972 A973 W1025 | F964-T969 HydrophobicContact CD1-CG2 4.14Å; F964-T969 HydrophobicContact CD2-CG2 4.28Å; F964-T969 HydrophobicContact CE1-CG2 3.73Å; F964-T969 HydrophobicContact CE2-CG2 3.9Å; F964-T969 HydrophobicContact CG-CG2 4.39Å; F964-T969 HydrophobicContact CZ-CG2 3.59Å; F964-T969 PolarHBondContact O-N 2.87Å; F964-T969 PolarHBondContact O-OG1 3.36Å; V965-T969 WeakPolarHBondContact CA-OG1 3.44Å; V965-T969 PolarHBondContact O-OG1 3.29Å; T969-R971 PolarHBondContact O-N 2.97Å; T969-W972 PolarHBondContact O-N 3.33Å; T969-A973 WeakPolarHBondContact O-CB 3.47Å; T969-A973 PolarHBondContact O-N 2.92Å; T969-W1025 HydrophobicContact CG2-CH2 3.76Å; T969-W1025 HydrophobicContact CG2-CZ2 4.23Å |
| 970 | S | 95.1 | Very high | 94.5 | Very high | 63 Ų | 63 | 58.7 Ų | 58.7 | 44% | 0.441 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -61.3 | -43.1 | 176.3 | -59.7 | 0 | 0 | 0 | 0 | 112 | Y966 V968 A973 D974 | Y966-S970 WeakPolarHBondContact O-CB 3.47Å; Y966-S970 PolarHBondContact O-OG 3.46Å; V968-S970 VanDerWaalsContact C-N 3.34Å; V968-S970 PolarHBondContact O-N 3.09Å; S970-A973 PolarHBondContact O-N 3.26Å; S970-D974 WeakPolarHBondContact O-CB 3.35Å; S970-D974 PolarHBondContact O-N 3.13Å |
| 971 | R | 96.8 | Very high | 94.3 | Very high | 87 Ų | 87 | 68.6 Ų | 68.6 | 33% | 0.328 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -69.2 | -37.4 | 177.2 | -72.5 | 169.4 | -175.1 | -96.3 | 8.8 | 112.3 | L947 Q967 V968 T969 D974 F975 P994 F995 | L947-R971 PolarHBondContact O-NH2 3.31Å; Q967-R971 WeakPolarHBondContact O-CB 3.46Å; Q967-R971 WeakPolarHBondContact O-CD 3.41Å; Q967-R971 WeakPolarHBondContact O-CG 3.42Å; Q967-R971 PolarHBondContact O-N 2.83Å; V968-R971 PolarHBondContact O-N 3.38Å; T969-R971 PolarHBondContact O-N 2.97Å; R971-D974 PolarHBondContact O-N 3.14Å; R971-F975 WeakPolarHBondContact O-CB 3.45Å; R971-F975 PolarHBondContact O-N 2.92Å; R971-P994 HydrophobicContact CB-CB 4.19Å; R971-P994 HydrophobicContact CB-CG 4.33Å; R971-F995 HydrophobicContact CB-CZ 4.42Å |
| 972 | W | 96.8 | Very high | 93.9 | Very high | 25 Ų | 25 | 65.4 Ų | 65.4 | 10% | 0.095 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -63.8 | -43.7 | 173 | -178.9 | -110.2 | 0 | 0 | 0 | 112.1 | V968 T969 D974 F975 L976 F993 F995 A1021 E1022 W1025 | V968-W972 PolarHBondContact O-N 3.08Å; V968-W972 VanDerWaalsContact O-N 3.08Å; T969-W972 PolarHBondContact O-N 3.33Å; W972-D974 PolarHBondContact O-N 3.21Å; W972-F975 HydrophobicContact CD2-CD1 4.34Å; W972-F975 AromaticContact CE3-CD1 3.62Å; W972-F975 HydrophobicContact CE3-CD1 3.62Å; W972-F975 HydrophobicContact CE3-CE1 4.12Å; W972-F975 HydrophobicContact CH2-CD1 4.03Å; W972-F975 AromaticContact CH2-CE1 3.77Å; W972-F975 HydrophobicContact CH2-CE1 3.77Å; W972-F975 AromaticContact CZ3-CD1 3.45Å; W972-F975 HydrophobicContact CZ3-CD1 3.45Å; W972-F975 VanDerWaalsContact CZ3-CD1 3.45Å; W972-F975 AromaticContact CZ3-CE1 3.44Å; W972-F975 HydrophobicContact CZ3-CE1 3.44Å; W972-F975 VanDerWaalsContact CZ3-CE1 3.44Å; W972-F975 WeakPolarHBondContact O-CB 3.34Å; W972-F975 PolarHBondContact O-N 3.04Å; W972-L976 HydrophobicContact CZ2-CD2 4.15Å; W972-L976 WeakPolarHBondContact O-CG 3.32Å; W972-L976 PolarHBondContact O-N 3.24Å; W972-F993 HydrophobicContact CZ3-CD2 4.43Å; W972-F993 HydrophobicContact CZ3-CE2 4.06Å; W972-F995 HydrophobicContact CB-CE2 4.39Å; W972-F995 HydrophobicContact CB-CZ 4.43Å; W972-F995 AromaticContact CE3-CE2 3.98Å; W972-F995 HydrophobicContact CE3-CE2 3.98Å; W972-A1021 HydrophobicContact CH2-CB 4.42Å; W972-E1022 HydrophobicContact CH2-CG 4.41Å; W972-E1022 HydrophobicContact CZ2-CG 4.4Å; W972-W1025 HydrophobicContact CB-CD2 4.33Å; W972-W1025 HydrophobicContact CB-CE3 3.77Å; W972-W1025 HydrophobicContact CB-CH2 3.86Å; W972-W1025 HydrophobicContact CB-CZ2 4.39Å; W972-W1025 HydrophobicContact CB-CZ3 3.49Å; W972-W1025 VanDerWaalsContact CB-CZ3 3.49Å; W972-W1025 AromaticContact CD1-CD2 3.79Å; W972-W1025 AromaticContact CD1-CE2 3.6Å; W972-W1025 AromaticContact CD1-CZ2 3.82Å; W972-W1025 AromaticContact CD1-NE1 3.96Å; W972-W1025 HydrophobicContact CD2-CB 4.14Å; W972-W1025 AromaticContact CD2-CD2 3.62Å; W972-W1025 HydrophobicContact CD2-CD2 3.62Å; W972-W1025 AromaticContact CD2-CE3 3.68Å; W972-W1025 HydrophobicContact CD2-CE3 3.68Å; W972-W1025 AromaticContact CD2-CG 3.81Å; W972-W1025 HydrophobicContact CD2-CG 3.81Å; W972-W1025 HydrophobicContact CD2-CZ3 4.34Å; W972-W1025 AromaticContact CE2-CD1 3.78Å; W972-W1025 AromaticContact CE2-CD2 3.75Å; W972-W1025 AromaticContact CE2-CG 3.53Å; W972-W1025 HydrophobicContact CE3-CB 4.09Å; W972-W1025 HydrophobicContact CE3-CD2 4.21Å; W972-W1025 HydrophobicContact CE3-CE3 4.02Å; W972-W1025 HydrophobicContact CE3-CG 4.24Å; W972-W1025 AromaticContact CG-CD2 3.66Å; W972-W1025 HydrophobicContact CG-CD2 3.66Å; W972-W1025 AromaticContact CG-CE2 3.91Å; W972-W1025 AromaticContact CG-CE3 3.57Å; W972-W1025 HydrophobicContact CG-CE3 3.57Å; W972-W1025 HydrophobicContact CG-CG 4.3Å; W972-W1025 HydrophobicContact CG-CH2 4.05Å; W972-W1025 HydrophobicContact CG-CZ2 4.12Å; W972-W1025 AromaticContact CG-CZ3 3.76Å; W972-W1025 HydrophobicContact CG-CZ3 3.76Å; W972-W1025 HydrophobicContact CH2-CB 3.66Å; W972-W1025 HydrophobicContact CH2-CG 4.17Å; W972-W1025 HydrophobicContact CZ2-CB 3.71Å; W972-W1025 AromaticContact CZ2-CD1 3.96Å; W972-W1025 HydrophobicContact CZ2-CD2 4.42Å; W972-W1025 AromaticContact CZ2-CG 3.74Å; W972-W1025 HydrophobicContact CZ2-CG 3.74Å; W972-W1025 HydrophobicContact CZ3-CB 3.85Å; W972-W1025 HydrophobicContact CZ3-CG 4.41Å; W972-W1025 AromaticContact NE1-CD1 3.75Å; W972-W1025 AromaticContact NE1-CD2 3.83Å; W972-W1025 AromaticContact NE1-CE2 3.75Å; W972-W1025 AromaticContact NE1-CG 3.86Å; W972-W1025 AromaticContact NE1-NE1 3.66Å |
| 973 | A | 95.2 | Very high | 93.4 | Very high | 49 Ų | 49 | 66 Ų | 66 | 41% | 0.405 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -63.6 | -40 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | T969 S970 L976 T977 | T969-A973 WeakPolarHBondContact O-CB 3.47Å; T969-A973 PolarHBondContact O-N 2.92Å; S970-A973 PolarHBondContact O-N 3.26Å; A973-L976 PolarHBondContact O-N 3.2Å; A973-T977 WeakPolarHBondContact O-CB 3.41Å; A973-T977 PolarHBondContact O-N 3.05Å; A973-T977 PolarHBondContact O-OG1 3.36Å |
| 974 | D | 95.1 | Very high | 92.9 | Very high | 74 Ų | 74 | 74.8 Ų | 74.8 | 40% | 0.396 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -63.8 | -42.7 | 173.8 | -179.2 | 53.2 | 0 | 0 | 0 | 111.8 | S970 R971 W972 T977 K978 | S970-D974 WeakPolarHBondContact O-CB 3.35Å; S970-D974 PolarHBondContact O-N 3.13Å; R971-D974 PolarHBondContact O-N 3.14Å; W972-D974 PolarHBondContact O-N 3.21Å; D974-T977 PolarHBondContact O-N 2.75Å; D974-K978 WeakPolarHBondContact O-CB 3.24Å; D974-K978 WeakPolarHBondContact O-CG 3.48Å; D974-K978 PolarHBondContact O-N 2.91Å; D974-K978 WeakPolarHBondContact OD1-CE 3.33Å; D974-K978 IonicContact OD1-NZ 3Å; D974-K978 WeakPolarHBondContact OD2-CE 3.5Å; D974-K978 IonicContact OD2-NZ 3.39Å; D974-K978 PolarHBondContact OD2-NZ 3.02Å |
| 975 | F | 95.7 | Very high | 92.5 | Very high | 2 Ų | 2 | 76.5 Ų | 76.5 | 1% | 0.009 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -56.5 | -50.6 | 173.3 | 167.1 | -111.6 | 0 | 0 | 0 | 112.3 | R971 W972 T977 K978 L979 V989 L992 F993 P994 M1018 A1021 | R971-F975 WeakPolarHBondContact O-CB 3.45Å; R971-F975 PolarHBondContact O-N 2.92Å; W972-F975 HydrophobicContact CD2-CD1 4.34Å; W972-F975 AromaticContact CE3-CD1 3.62Å; W972-F975 HydrophobicContact CE3-CD1 3.62Å; W972-F975 HydrophobicContact CE3-CE1 4.12Å; W972-F975 HydrophobicContact CH2-CD1 4.03Å; W972-F975 AromaticContact CH2-CE1 3.77Å; W972-F975 HydrophobicContact CH2-CE1 3.77Å; W972-F975 AromaticContact CZ3-CD1 3.45Å; W972-F975 HydrophobicContact CZ3-CD1 3.45Å; W972-F975 VanDerWaalsContact CZ3-CD1 3.45Å; W972-F975 AromaticContact CZ3-CE1 3.44Å; W972-F975 HydrophobicContact CZ3-CE1 3.44Å; W972-F975 VanDerWaalsContact CZ3-CE1 3.44Å; W972-F975 WeakPolarHBondContact O-CB 3.34Å; W972-F975 PolarHBondContact O-N 3.04Å; F975-T977 VanDerWaalsContact C-N 3.31Å; F975-T977 PolarHBondContact O-N 3.21Å; F975-K978 PolarHBondContact O-N 3.07Å; F975-L979 HydrophobicContact CD1-CD1 4.18Å; F975-L979 HydrophobicContact CD2-CD1 4.09Å; F975-L979 HydrophobicContact CD2-CG 4.23Å; F975-L979 HydrophobicContact CE1-CD1 3.59Å; F975-L979 HydrophobicContact CE2-CD1 3.5Å; F975-L979 VanDerWaalsContact CE2-CD1 3.5Å; F975-L979 HydrophobicContact CE2-CD2 4.44Å; F975-L979 HydrophobicContact CE2-CG 3.88Å; F975-L979 HydrophobicContact CG-CD1 4.44Å; F975-L979 HydrophobicContact CZ-CD1 3.24Å; F975-L979 HydrophobicContact CZ-CG 4.15Å; F975-L979 WeakPolarHBondContact O-CB 3.47Å; F975-L979 PolarHBondContact O-N 2.86Å; F975-V989 HydrophobicContact CZ-CG1 4.19Å; F975-L992 VanDerWaalsContact CD2-C 3.49Å; F975-L992 HydrophobicContact CD2-CB 3.82Å; F975-L992 VanDerWaalsContact CD2-O 3.26Å; F975-L992 WeakPolarHBondContact CD2-O 3.2Å; F975-L992 HydrophobicContact CE2-CB 3.94Å; F975-F993 HydrophobicContact CE1-CD2 4.36Å; F975-F993 HydrophobicContact CE2-CB 4.13Å; F975-F993 HydrophobicContact CE2-CD2 4.43Å; F975-F993 HydrophobicContact CZ-CB 4.48Å; F975-F993 HydrophobicContact CZ-CD2 4.09Å; F975-P994 HydrophobicContact CB-CG 4.14Å; F975-M1018 HydrophobicContact CE1-CE 4.29Å; F975-M1018 HydrophobicContact CE1-SD 4.29Å; F975-M1018 HydrophobicContact CZ-SD 4.35Å; F975-A1021 HydrophobicContact CE1-CB 4.22Å; F975-A1021 HydrophobicContact CZ-CB 4.11Å |
| 976 | L | 94.5 | Very high | 92.2 | Very high | 72 Ų | 72 | 74 Ų | 74 | 38% | 0.377 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -61.4 | -39.5 | 176.7 | -66.9 | 179.3 | 0 | 0 | 0 | 112 | W972 A973 L979 S980 M1018 | W972-L976 HydrophobicContact CZ2-CD2 4.15Å; W972-L976 WeakPolarHBondContact O-CG 3.32Å; W972-L976 PolarHBondContact O-N 3.24Å; A973-L976 PolarHBondContact O-N 3.2Å; L976-L979 PolarHBondContact O-N 3.15Å; L976-S980 PolarHBondContact O-N 3.23Å; L976-M1018 HydrophobicContact CD2-CE 3.63Å |
| 977 | T | 93.5 | Very high | 91.9 | Very high | 61 Ų | 61 | 72.2 Ų | 72.2 | 37% | 0.374 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -65.8 | -43.2 | 177.7 | -57.3 | 0 | 0 | 0 | 0 | 111.4 | A973 D974 F975 S980 R981 | A973-T977 WeakPolarHBondContact O-CB 3.41Å; A973-T977 PolarHBondContact O-N 3.05Å; A973-T977 PolarHBondContact O-OG1 3.36Å; D974-T977 PolarHBondContact O-N 2.75Å; F975-T977 VanDerWaalsContact C-N 3.31Å; F975-T977 PolarHBondContact O-N 3.21Å; T977-S980 PolarHBondContact O-N 3.5Å; T977-S980 PolarHBondContact O-OG 3.14Å; T977-R981 PolarHBondContact O-N 3.21Å |
| 978 | K | 93.2 | Very high | 91.8 | Very high | 94 Ų | 94 | 69.8 Ų | 69.8 | 41% | 0.409 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -65 | -44.8 | 176.2 | -74.3 | 170.7 | 174.8 | 166.2 | 0 | 111.4 | D974 F975 S980 R981 S982 L992 | D974-K978 WeakPolarHBondContact O-CB 3.24Å; D974-K978 WeakPolarHBondContact O-CG 3.48Å; D974-K978 PolarHBondContact O-N 2.91Å; D974-K978 WeakPolarHBondContact OD1-CE 3.33Å; D974-K978 IonicContact OD1-NZ 3Å; D974-K978 WeakPolarHBondContact OD2-CE 3.5Å; D974-K978 IonicContact OD2-NZ 3.39Å; D974-K978 PolarHBondContact OD2-NZ 3.02Å; F975-K978 PolarHBondContact O-N 3.07Å; K978-S980 VanDerWaalsContact C-N 3.27Å; K978-S980 PolarHBondContact O-N 2.87Å; K978-R981 CarbonylContact O-C 3.55Å; K978-R981 WeakPolarHBondContact O-CA 3.44Å; K978-R981 PolarHBondContact O-N 3.02Å; K978-S982 PolarHBondContact O-N 2.75Å; K978-S982 VanDerWaalsContact O-N 3.1Å; K978-S982 PolarHBondContact O-OG 2.7Å; K978-S982 VanDerWaalsContact O-OG 3.09Å; K978-L992 HydrophobicContact CB-CD1 4.01Å; K978-L992 HydrophobicContact CB-CD2 4.42Å; K978-L992 HydrophobicContact CD-CD2 4.34Å |
| 979 | L | 90.8 | Very high | 91.5 | Very high | 8 Ų | 8 | 69.8 Ų | 69.8 | 4% | 0.042 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -59.3 | -37.6 | 175 | -81.3 | 178.6 | 0 | 0 | 0 | 112.8 | F975 L976 R981 S982 V989 L992 Y1014 M1018 | F975-L979 HydrophobicContact CD1-CD1 4.18Å; F975-L979 HydrophobicContact CD2-CD1 4.09Å; F975-L979 HydrophobicContact CD2-CG 4.23Å; F975-L979 HydrophobicContact CE1-CD1 3.59Å; F975-L979 HydrophobicContact CE2-CD1 3.5Å; F975-L979 VanDerWaalsContact CE2-CD1 3.5Å; F975-L979 HydrophobicContact CE2-CD2 4.44Å; F975-L979 HydrophobicContact CE2-CG 3.88Å; F975-L979 HydrophobicContact CG-CD1 4.44Å; F975-L979 HydrophobicContact CZ-CD1 3.24Å; F975-L979 HydrophobicContact CZ-CG 4.15Å; F975-L979 WeakPolarHBondContact O-CB 3.47Å; F975-L979 PolarHBondContact O-N 2.86Å; L976-L979 PolarHBondContact O-N 3.15Å; L979-R981 PolarHBondContact O-N 3.33Å; L979-S982 PolarHBondContact O-N 3.45Å; L979-V989 HydrophobicContact CD2-CG2 4.22Å; L979-L992 HydrophobicContact CD2-CD1 3.96Å; L979-L992 HydrophobicContact CG-CD1 4.3Å; L979-Y1014 HydrophobicContact CD2-CE2 4.24Å; L979-M1018 HydrophobicContact CD1-CE 4.24Å; L979-M1018 HydrophobicContact CD1-SD 3.66Å |
| 980 | S | 88.4 | Confident | 91.2 | Very high | 95 Ų | 95 | 69.5 Ų | 69.5 | 66% | 0.664 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -64.4 | -18.3 | 175.9 | 77.6 | 0 | 0 | 0 | 0 | 114 | L976 T977 K978 | L976-S980 PolarHBondContact O-N 3.23Å; T977-S980 PolarHBondContact O-N 3.5Å; T977-S980 PolarHBondContact O-OG 3.14Å; K978-S980 VanDerWaalsContact C-N 3.27Å; K978-S980 PolarHBondContact O-N 2.87Å |
| 981 | R | 89.6 | Confident | 91 | Very high | 208 Ų | 208 | 70.2 Ų | 70.2 | 79% | 0.785 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -105.4 | -6.3 | 179.9 | -64.9 | 178.2 | -179.9 | 177.2 | 1 | 113.5 | T977 K978 L979 | T977-R981 PolarHBondContact O-N 3.21Å; K978-R981 CarbonylContact O-C 3.55Å; K978-R981 WeakPolarHBondContact O-CA 3.44Å; K978-R981 PolarHBondContact O-N 3.02Å; L979-R981 PolarHBondContact O-N 3.33Å |
| 982 | S | 86.3 | Confident | 90.8 | Very high | 47 Ų | 47 | 68.5 Ų | 68.5 | 33% | 0.329 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -102.8 | 164.3 | -179.3 | -64.1 | 0 | 0 | 0 | 0 | 111.2 | K978 L979 | K978-S982 PolarHBondContact O-N 2.75Å; K978-S982 VanDerWaalsContact O-N 3.1Å; K978-S982 PolarHBondContact O-OG 2.7Å; K978-S982 VanDerWaalsContact O-OG 3.09Å; L979-S982 PolarHBondContact O-N 3.45Å |
| 983 | D | 83.1 | Confident | 90.8 | Very high | 133 Ų | 133 | 67.7 Ų | 67.7 | 71% | 0.711 | 36% | 0.363 | S | S | * | . | trans | -65.8 | 137.8 | 170.1 | -63.4 | -39 | 0 | 0 | 0 | 110.2 | T985 T988 | D983-T985 VanDerWaalsContact C-N 3.3Å; D983-T985 HydrophobicContact CB-CG2 4.27Å; D983-T985 PolarHBondContact O-N 2.83Å; D983-T988 WeakPolarHBondContact O-CG2 3.35Å; D983-T988 PolarHBondContact O-OG1 2.66Å | ||
| 984 | R | 86.8 | Confident | 90.7 | Very high | 190 Ų | 190 | 67.1 Ų | 67.1 | 72% | 0.717 | 36% | 0.355 | S | S | * | . | trans | -76.9 | 76.3 | -179.4 | -69.6 | -174.6 | 175.4 | -173.6 | -2.7 | 111.6 | Y1014 | R984-Y1014 HydrophobicContact CB-CD1 4.08Å; R984-Y1014 HydrophobicContact CB-CD2 3.82Å; R984-Y1014 HydrophobicContact CB-CE1 4.26Å; R984-Y1014 HydrophobicContact CB-CE2 4Å; R984-Y1014 HydrophobicContact CB-CG 3.87Å; R984-Y1014 HydrophobicContact CG-CD1 4.41Å; R984-Y1014 HydrophobicContact CG-CD2 4.38Å; R984-Y1014 HydrophobicContact CG-CE1 4.1Å; R984-Y1014 HydrophobicContact CG-CE2 4.05Å | ||
| 985 | T | 87.9 | Confident | 90.7 | Very high | 64 Ų | 64 | 63.6 Ų | 63.6 | 39% | 0.393 | 34% | 0.336 | S | S | . | . | trans | -118.9 | 153.1 | 175.8 | 70.7 | 0 | 0 | 0 | 0 | 111.2 | D983 D987 T988 V989 | D983-T985 VanDerWaalsContact C-N 3.3Å; D983-T985 HydrophobicContact CB-CG2 4.27Å; D983-T985 PolarHBondContact O-N 2.83Å; T985-D987 PolarHBondContact O-N 3.07Å; T985-T988 PolarHBondContact N-OG1 2.78Å; T985-T988 PolarHBondContact O-N 3.34Å; T985-T988 VanDerWaalsContact O-N 3.1Å; T985-T988 PolarHBondContact O-OG1 2.96Å; T985-T988 VanDerWaalsContact OG1-CG2 3.28Å; T985-T988 WeakPolarHBondContact OG1-CG2 3.29Å; T985-T988 PolarHBondContact OG1-N 3.28Å; T985-T988 PolarHBondContact OG1-OG1 3.49Å; T985-V989 PolarHBondContact O-N 3.14Å | ||
| 986 | A | 86.7 | Confident | 90.6 | Very high | 12 Ų | 12 | 66.3 Ų | 66.3 | 10% | 0.099 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -54.4 | -42.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | T988 V989 A990 D1017 | A986-T988 VanDerWaalsContact C-N 3.34Å; A986-T988 PolarHBondContact O-N 3.4Å; A986-V989 WeakPolarHBondContact O-CB 3.26Å; A986-V989 PolarHBondContact O-N 3.34Å; A986-V989 VanDerWaalsContact O-N 3.15Å; A986-A990 PolarHBondContact O-N 3.02Å; A986-D1017 WeakPolarHBondContact CB-OD2 3.19Å |
| 987 | D | 88.2 | Confident | 90.5 | Very high | 119 Ų | 119 | 69.8 Ų | 69.8 | 64% | 0.636 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -62 | -35.8 | 177.4 | -172.9 | 55.4 | 0 | 0 | 0 | 113.3 | T985 V989 A990 S991 | T985-D987 PolarHBondContact O-N 3.07Å; D987-V989 VanDerWaalsContact C-N 3.32Å; D987-V989 PolarHBondContact O-N 3.15Å; D987-A990 PolarHBondContact O-N 3.24Å; D987-S991 VanDerWaalsContact O-CB 3.3Å; D987-S991 WeakPolarHBondContact O-CB 3.35Å; D987-S991 PolarHBondContact O-N 3.47Å; D987-S991 PolarHBondContact O-OG 3.3Å |
| 988 | T | 90.8 | Very high | 90.5 | Very high | 22 Ų | 22 | 67.1 Ų | 67.1 | 14% | 0.135 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -67 | -32.6 | 175.9 | 59.4 | 0 | 0 | 0 | 0 | 113 | D983 T985 A986 S991 L992 | D983-T988 WeakPolarHBondContact O-CG2 3.35Å; D983-T988 PolarHBondContact O-OG1 2.66Å; T985-T988 PolarHBondContact N-OG1 2.78Å; T985-T988 PolarHBondContact O-N 3.34Å; T985-T988 VanDerWaalsContact O-N 3.1Å; T985-T988 PolarHBondContact O-OG1 2.96Å; T985-T988 VanDerWaalsContact OG1-CG2 3.28Å; T985-T988 WeakPolarHBondContact OG1-CG2 3.29Å; T985-T988 PolarHBondContact OG1-N 3.28Å; T985-T988 PolarHBondContact OG1-OG1 3.49Å; A986-T988 VanDerWaalsContact C-N 3.34Å; A986-T988 PolarHBondContact O-N 3.4Å; T988-S991 WeakPolarHBondContact CA-OG 3.17Å; T988-S991 PolarHBondContact O-OG 2.9Å; T988-L992 VanDerWaalsContact O-CB 3.29Å; T988-L992 WeakPolarHBondContact O-CB 3.4Å; T988-L992 VanDerWaalsContact O-CG 3.27Å; T988-L992 WeakPolarHBondContact O-CG 3.38Å; T988-L992 PolarHBondContact O-N 3.36Å |
| 989 | V | 91.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -65.8 | -52.2 | 174.2 | -179.8 | 0 | 0 | 0 | 0 | 109.5 | F975 L979 T985 A986 D987 S991 L992 F993 F1009 Y1014 D1017 M1018 A1021 | F975-V989 HydrophobicContact CZ-CG1 4.19Å; L979-V989 HydrophobicContact CD2-CG2 4.22Å; T985-V989 PolarHBondContact O-N 3.14Å; A986-V989 WeakPolarHBondContact O-CB 3.26Å; A986-V989 PolarHBondContact O-N 3.34Å; A986-V989 VanDerWaalsContact O-N 3.15Å; D987-V989 VanDerWaalsContact C-N 3.32Å; D987-V989 PolarHBondContact O-N 3.15Å; V989-S991 PolarHBondContact O-N 2.81Å; V989-L992 PolarHBondContact O-N 3.12Å; V989-F993 WeakPolarHBondContact O-CB 3.38Å; V989-F993 PolarHBondContact O-N 2.95Å; V989-F1009 HydrophobicContact CG1-CE1 4.09Å; V989-F1009 HydrophobicContact CG1-CZ 4.4Å; V989-Y1014 HydrophobicContact CG2-CD2 3.48Å; V989-Y1014 VanDerWaalsContact CG2-CD2 3.48Å; V989-Y1014 HydrophobicContact CG2-CE2 3.53Å; V989-Y1014 HydrophobicContact CG2-CG 4.42Å; V989-D1017 HydrophobicContact CB-CB 4.11Å; V989-D1017 HydrophobicContact CG1-CB 4.04Å; V989-M1018 HydrophobicContact CG2-CB 4.42Å; V989-A1021 HydrophobicContact CG1-CB 4.07Å |
| 990 | A | 90 | Very high | 90.4 | Very high | 34 Ų | 34 | 69.3 Ų | 69.3 | 28% | 0.281 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -62.1 | -41.8 | -178 | 0 | 0 | 0 | 0 | 0 | 113 | A986 D987 F1009 | A986-A990 PolarHBondContact O-N 3.02Å; D987-A990 PolarHBondContact O-N 3.24Å; A990-F1009 HydrophobicContact CB-CB 4.1Å; A990-F1009 HydrophobicContact CB-CD2 3.64Å; A990-F1009 HydrophobicContact CB-CE2 4.37Å; A990-F1009 HydrophobicContact CB-CG 4.04Å |
| 991 | S | 89.8 | Confident | 90.4 | Very high | 79 Ų | 79 | 68.9 Ų | 68.9 | 55% | 0.552 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -72.8 | -30.7 | -178.6 | 57.5 | 0 | 0 | 0 | 0 | 114.1 | D987 T988 V989 | D987-S991 VanDerWaalsContact O-CB 3.3Å; D987-S991 WeakPolarHBondContact O-CB 3.35Å; D987-S991 PolarHBondContact O-N 3.47Å; D987-S991 PolarHBondContact O-OG 3.3Å; T988-S991 WeakPolarHBondContact CA-OG 3.17Å; T988-S991 PolarHBondContact O-OG 2.9Å; V989-S991 PolarHBondContact O-N 2.81Å |
| 992 | L | 93.5 | Very high | 90.2 | Very high | 51 Ų | 51 | 59.9 Ų | 59.9 | 27% | 0.267 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -92.4 | -15.9 | -179.3 | -64.5 | 175.3 | 0 | 0 | 0 | 113.6 | F975 K978 L979 T988 V989 P994 | F975-L992 VanDerWaalsContact CD2-C 3.49Å; F975-L992 HydrophobicContact CD2-CB 3.82Å; F975-L992 VanDerWaalsContact CD2-O 3.26Å; F975-L992 WeakPolarHBondContact CD2-O 3.2Å; F975-L992 HydrophobicContact CE2-CB 3.94Å; K978-L992 HydrophobicContact CB-CD1 4.01Å; K978-L992 HydrophobicContact CB-CD2 4.42Å; K978-L992 HydrophobicContact CD-CD2 4.34Å; L979-L992 HydrophobicContact CD2-CD1 3.96Å; L979-L992 HydrophobicContact CG-CD1 4.3Å; T988-L992 VanDerWaalsContact O-CB 3.29Å; T988-L992 WeakPolarHBondContact O-CB 3.4Å; T988-L992 VanDerWaalsContact O-CG 3.27Å; T988-L992 WeakPolarHBondContact O-CG 3.38Å; T988-L992 PolarHBondContact O-N 3.36Å; V989-L992 PolarHBondContact O-N 3.12Å; L992-P994 WeakPolarHBondContact O-CD 3.38Å |
| 993 | F | 95.5 | Very high | 90 | Very high | 8 Ų | 8 | 59.9 Ų | 59.9 | 4% | 0.035 | 31% | 0.312 | C | S | . | . | trans | -61.8 | 120.2 | -175.3 | -175.6 | -111.6 | 0 | 0 | 0 | 111.9 | W972 F975 V989 F995 T996 F999 L1008 F1009 A1021 C1024 | W972-F993 HydrophobicContact CZ3-CD2 4.43Å; W972-F993 HydrophobicContact CZ3-CE2 4.06Å; F975-F993 HydrophobicContact CE1-CD2 4.36Å; F975-F993 HydrophobicContact CE2-CB 4.13Å; F975-F993 HydrophobicContact CE2-CD2 4.43Å; F975-F993 HydrophobicContact CZ-CB 4.48Å; F975-F993 HydrophobicContact CZ-CD2 4.09Å; V989-F993 WeakPolarHBondContact O-CB 3.38Å; V989-F993 PolarHBondContact O-N 2.95Å; F993-F995 VanDerWaalsContact C-N 3.35Å; F993-F995 HydrophobicContact CD1-CB 4.43Å; F993-F995 HydrophobicContact CE1-CB 3.67Å; F993-F995 AromaticContact CE2-CD2 3.96Å; F993-F995 HydrophobicContact CE2-CD2 3.96Å; F993-F995 HydrophobicContact CZ-CB 3.75Å; F993-F995 AromaticContact CZ-CD2 3.85Å; F993-F995 HydrophobicContact CZ-CD2 3.85Å; F993-F995 HydrophobicContact CZ-CG 4.31Å; F993-F995 PolarHBondContact O-N 3.5Å; F993-T996 WeakPolarHBondContact CD1-OG1 3.49Å; F993-T996 PolarHBondContact O-OG1 3.22Å; F993-F999 HydrophobicContact CE1-CD2 4.12Å; F993-F999 HydrophobicContact CE1-CE2 4.29Å; F993-F999 HydrophobicContact CZ-CD2 4.42Å; F993-F999 HydrophobicContact CZ-CE2 4.15Å; F993-L1008 HydrophobicContact CD1-CD2 4.09Å; F993-L1008 HydrophobicContact CE1-CD2 3.97Å; F993-F1009 HydrophobicContact CB-CE2 3.77Å; F993-F1009 HydrophobicContact CB-CZ 3.84Å; F993-F1009 AromaticContact CD1-CE2 3.72Å; F993-F1009 HydrophobicContact CD1-CE2 3.72Å; F993-F1009 AromaticContact CD1-CZ 3.71Å; F993-F1009 HydrophobicContact CD1-CZ 3.71Å; F993-F1009 AromaticContact CD2-CZ 3.98Å; F993-F1009 HydrophobicContact CD2-CZ 3.98Å; F993-F1009 HydrophobicContact CE1-CE2 4.48Å; F993-F1009 HydrophobicContact CE1-CZ 4.22Å; F993-F1009 HydrophobicContact CE2-CZ 4.46Å; F993-F1009 AromaticContact CG-CE2 3.82Å; F993-F1009 HydrophobicContact CG-CE2 3.82Å; F993-F1009 AromaticContact CG-CZ 3.58Å; F993-F1009 HydrophobicContact CG-CZ 3.58Å; F993-A1021 HydrophobicContact CD2-CB 3.82Å; F993-A1021 HydrophobicContact CE2-CB 3.88Å; F993-C1024 HydrophobicContact CE1-CB 4.48Å; F993-C1024 HydrophobicContact CE2-CB 4.22Å; F993-C1024 HydrophobicContact CZ-CB 3.57Å | ||
| 994 | P | 93.6 | Very high | 89.8 | Confident | 37 Ų | 37 | 59.5 Ų | 59.5 | 24% | 0.24 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -8.8 | -168 | 31 | -35.2 | 0 | 0 | 0 | 114.3 | L947 R971 F975 L992 | L947-P994 WeakPolarHBondContact CD2-O 3.18Å; R971-P994 HydrophobicContact CB-CB 4.19Å; R971-P994 HydrophobicContact CB-CG 4.33Å; F975-P994 HydrophobicContact CB-CG 4.14Å; L992-P994 WeakPolarHBondContact O-CD 3.38Å |
| 995 | F | 95.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.1 | 14.9 | -171.9 | -48.4 | -63.5 | 0 | 0 | 0 | 113.6 | L943 L947 V968 R971 W972 F993 R997 F998 F999 W1025 I1028 | L943-F995 HydrophobicContact CD1-CD1 4.03Å; L947-F995 HydrophobicContact CD1-CD1 4.32Å; L947-F995 HydrophobicContact CD1-CE1 4.11Å; L947-F995 HydrophobicContact CD2-CD1 4Å; L947-F995 HydrophobicContact CD2-CE1 4.29Å; V968-F995 HydrophobicContact CG1-CE1 4.02Å; V968-F995 HydrophobicContact CG1-CZ 3.93Å; R971-F995 HydrophobicContact CB-CZ 4.42Å; W972-F995 HydrophobicContact CB-CE2 4.39Å; W972-F995 HydrophobicContact CB-CZ 4.43Å; W972-F995 AromaticContact CE3-CE2 3.98Å; W972-F995 HydrophobicContact CE3-CE2 3.98Å; F993-F995 VanDerWaalsContact C-N 3.35Å; F993-F995 HydrophobicContact CD1-CB 4.43Å; F993-F995 HydrophobicContact CE1-CB 3.67Å; F993-F995 AromaticContact CE2-CD2 3.96Å; F993-F995 HydrophobicContact CE2-CD2 3.96Å; F993-F995 HydrophobicContact CZ-CB 3.75Å; F993-F995 AromaticContact CZ-CD2 3.85Å; F993-F995 HydrophobicContact CZ-CD2 3.85Å; F993-F995 HydrophobicContact CZ-CG 4.31Å; F993-F995 PolarHBondContact O-N 3.5Å; F995-R997 VanDerWaalsContact C-N 3.31Å; F995-R997 PolarHBondContact O-N 3.21Å; F995-F998 WeakPolarHBondContact O-CB 3.46Å; F995-F998 PolarHBondContact O-N 3.19Å; F995-F999 HydrophobicContact CB-CD2 4.38Å; F995-F999 HydrophobicContact CB-CE2 4.09Å; F995-F999 WeakPolarHBondContact O-CD2 3.42Å; F995-W1025 AromaticContact CE2-CE3 3.96Å; F995-W1025 HydrophobicContact CE2-CE3 3.96Å; F995-W1025 HydrophobicContact CE2-CZ3 4.19Å; F995-W1025 HydrophobicContact CZ-CE3 4.39Å; F995-W1025 HydrophobicContact CZ-CZ3 4.16Å; F995-I1028 HydrophobicContact CB-CD1 3.83Å; F995-I1028 HydrophobicContact CD1-CD1 3.99Å; F995-I1028 HydrophobicContact CD2-CD1 3.63Å; F995-I1028 HydrophobicContact CE1-CD1 4.49Å; F995-I1028 HydrophobicContact CE2-CD1 4.15Å; F995-I1028 HydrophobicContact CG-CD1 3.54Å |
| 996 | T | 92.4 | Very high | 89.1 | Confident | 59 Ų | 59 | 57.3 Ų | 57.3 | 36% | 0.362 | 31% | 0.31 | S | S | . | . | G | 310 helix | trans | -52.8 | -46.7 | -176.3 | -51.6 | 0 | 0 | 0 | 0 | 112.4 | F993 F998 F999 L1008 | F993-T996 WeakPolarHBondContact CD1-OG1 3.49Å; F993-T996 PolarHBondContact O-OG1 3.22Å; T996-F998 PolarHBondContact O-N 3.39Å; T996-F999 PolarHBondContact O-N 2.74Å; T996-F999 VanDerWaalsContact O-N 3.17Å; T996-L1008 HydrophobicContact CG2-CD2 4.33Å |
| 997 | R | 92.3 | Very high | 88.9 | Confident | 145 Ų | 145 | 60.5 Ų | 60.5 | 55% | 0.547 | 33% | 0.33 | S | S | . | . | G | 310 helix | trans | -60 | -30.5 | 179 | -72.4 | -172.2 | -178.5 | 168.7 | 2.5 | 113.8 | D948 F995 F999 | D948-R997 IonicContact OD1-NH1 2.79Å; D948-R997 IonicContact OD2-NH1 3.73Å; D948-R997 PolarHBondContact OD2-NH1 3.13Å; F995-R997 VanDerWaalsContact C-N 3.31Å; F995-R997 PolarHBondContact O-N 3.21Å; R997-F999 VanDerWaalsContact C-N 3.29Å; R997-F999 PolarHBondContact O-N 3.36Å |
| 998 | F | 94.1 | Very high | 88.8 | Confident | 4 Ų | 4 | 56 Ų | 56 | 2% | 0.018 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -69.6 | -29.1 | -179.2 | 179.1 | -112.8 | 0 | 0 | 0 | 112.8 | E939 R942 L943 F995 T996 Y1027 I1028 | E939-F998 WeakPolarHBondContact O-CE2 3.46Å; R942-F998 HydrophobicContact CB-CD2 4.38Å; R942-F998 HydrophobicContact CB-CE2 4.05Å; R942-F998 HydrophobicContact CG-CD2 4.08Å; R942-F998 HydrophobicContact CG-CE2 4.13Å; R942-F998 PolarHBondContact NE-O 2.81Å; R942-F998 VanDerWaalsContact NH2-CE2 3.3Å; L943-F998 HydrophobicContact CB-CD2 3.78Å; L943-F998 HydrophobicContact CB-CE2 3.74Å; L943-F998 HydrophobicContact CB-CG 4.47Å; L943-F998 HydrophobicContact CB-CZ 4.42Å; L943-F998 HydrophobicContact CD1-CB 3.92Å; L943-F998 HydrophobicContact CD1-CD1 4.18Å; L943-F998 HydrophobicContact CD1-CD2 3.89Å; L943-F998 HydrophobicContact CD1-CE2 4.46Å; L943-F998 HydrophobicContact CD1-CG 3.72Å; L943-F998 HydrophobicContact CG-CD2 4.44Å; F995-F998 WeakPolarHBondContact O-CB 3.46Å; F995-F998 PolarHBondContact O-N 3.19Å; T996-F998 PolarHBondContact O-N 3.39Å; F998-Y1027 HydrophobicContact CE1-CD1 4.22Å; F998-Y1027 AromaticContact CE1-CE1 3.99Å; F998-Y1027 HydrophobicContact CE1-CE1 3.99Å; F998-Y1027 HydrophobicContact CZ-CE1 4.36Å; F998-I1028 HydrophobicContact CD1-CD1 4.3Å; F998-I1028 HydrophobicContact CD1-CG1 4.24Å; F998-I1028 HydrophobicContact CE1-CG1 4.09Å |
| 999 | F | 93.4 | Very high | 88.8 | Confident | 4 Ų | 4 | 56.3 Ų | 56.3 | 2% | 0.018 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -101.7 | 12.3 | -177.1 | -64 | -72.5 | 0 | 0 | 0 | 113.5 | P819 Y820 F993 F995 T996 R997 N1001 L1002 L1008 C1024 Y1027 I1028 | P819-F999 HydrophobicContact CG-CD1 3.4Å; P819-F999 VanDerWaalsContact CG-CD1 3.4Å; P819-F999 HydrophobicContact CG-CE1 3.4Å; P819-F999 VanDerWaalsContact CG-CE1 3.4Å; P819-F999 HydrophobicContact CG-CG 4.25Å; P819-F999 HydrophobicContact CG-CZ 4.25Å; Y820-F999 AromaticContact CE2-CD1 3.97Å; Y820-F999 HydrophobicContact CE2-CD1 3.97Å; Y820-F999 AromaticContact CE2-CE1 3.99Å; Y820-F999 HydrophobicContact CE2-CE1 3.99Å; F993-F999 HydrophobicContact CE1-CD2 4.12Å; F993-F999 HydrophobicContact CE1-CE2 4.29Å; F993-F999 HydrophobicContact CZ-CD2 4.42Å; F993-F999 HydrophobicContact CZ-CE2 4.15Å; F995-F999 HydrophobicContact CB-CD2 4.38Å; F995-F999 HydrophobicContact CB-CE2 4.09Å; F995-F999 WeakPolarHBondContact O-CD2 3.42Å; T996-F999 PolarHBondContact O-N 2.74Å; T996-F999 VanDerWaalsContact O-N 3.17Å; R997-F999 VanDerWaalsContact C-N 3.29Å; R997-F999 PolarHBondContact O-N 3.36Å; F999-N1001 PolarHBondContact O-N 2.94Å; F999-N1001 VanDerWaalsContact O-N 3.16Å; F999-L1002 HydrophobicContact CB-CD1 3.98Å; F999-L1002 HydrophobicContact CB-CG 4.38Å; F999-L1002 WeakPolarHBondContact O-CB 3.3Å; F999-L1002 WeakPolarHBondContact O-CD1 3.45Å; F999-L1002 WeakPolarHBondContact O-CG 3.38Å; F999-L1002 PolarHBondContact O-N 3.41Å; F999-L1002 VanDerWaalsContact O-N 3.15Å; F999-L1008 HydrophobicContact CB-CD1 4.13Å; F999-L1008 HydrophobicContact CB-CD2 4.42Å; F999-L1008 HydrophobicContact CG-CD1 4.4Å; F999-C1024 HydrophobicContact CD2-CB 4.29Å; F999-C1024 HydrophobicContact CE1-CB 4.5Å; F999-C1024 HydrophobicContact CE2-CB 3.5Å; F999-C1024 HydrophobicContact CZ-CB 3.61Å; F999-Y1027 AromaticContact CE1-CD1 3.8Å; F999-Y1027 HydrophobicContact CE1-CD1 3.8Å; F999-Y1027 HydrophobicContact CE1-CE1 4.29Å; F999-Y1027 HydrophobicContact CE1-CG 4.38Å; F999-Y1027 HydrophobicContact CZ-CD1 4.11Å; F999-I1028 HydrophobicContact CE2-CD1 3.85Å; F999-I1028 HydrophobicContact CE2-CG1 4.33Å; F999-I1028 HydrophobicContact CZ-CD1 3.96Å; F999-I1028 HydrophobicContact CZ-CG1 3.92Å |
| 1000 | E | 88.2 | Confident | 88.5 | Confident | 145 Ų | 145 | 62.7 Ų | 62.7 | 68% | 0.678 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -19.9 | 176.3 | -77.3 | 176.8 | -174.2 | 0 | 0 | 113.6 | L1002 | E1000-L1002 PolarHBondContact O-N 2.89Š|
| 1001 | N | 88.1 | Confident | 88.3 | Confident | 85 Ų | 85 | 63.4 Ų | 63.4 | 46% | 0.455 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | 7.7 | 176.4 | 70.2 | -24.2 | 0 | 0 | 0 | 114.1 | Y820 R942 F999 | Y820-N1001 PolarHBondContact OH-ND2 3.21Å; Y820-N1001 PolarHBondContact OH-OD1 2.77Å; R942-N1001 PolarHBondContact NH1-ND2 3.4Å; F999-N1001 PolarHBondContact O-N 2.94Å; F999-N1001 VanDerWaalsContact O-N 3.16Å |
| 1002 | L | 85.9 | Confident | 88.2 | Confident | 19 Ų | 19 | 64.9 Ų | 64.9 | 10% | 0.099 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -62.4 | 150.8 | 171 | -74.7 | 168.6 | 0 | 0 | 0 | 110.8 | P819 Y820 F999 E1000 L1008 | P819-L1002 HydrophobicContact CB-CD1 4.02Å; P819-L1002 HydrophobicContact CB-CD2 3.92Å; P819-L1002 HydrophobicContact CG-CD1 4.44Å; P819-L1002 HydrophobicContact CG-CD2 4.19Å; Y820-L1002 HydrophobicContact CD1-CD2 3.61Å; Y820-L1002 HydrophobicContact CE1-CD2 3.66Å; Y820-L1002 HydrophobicContact CE1-CG 4.27Å; Y820-L1002 HydrophobicContact CG-CD2 4.23Å; F999-L1002 HydrophobicContact CB-CD1 3.98Å; F999-L1002 HydrophobicContact CB-CG 4.38Å; F999-L1002 WeakPolarHBondContact O-CB 3.3Å; F999-L1002 WeakPolarHBondContact O-CD1 3.45Å; F999-L1002 WeakPolarHBondContact O-CG 3.38Å; F999-L1002 PolarHBondContact O-N 3.41Å; F999-L1002 VanDerWaalsContact O-N 3.15Å; E1000-L1002 PolarHBondContact O-N 2.89Å; L1002-L1008 HydrophobicContact CD1-CB 4.31Å; L1002-L1008 HydrophobicContact CD1-CD1 3.75Å |
| 1003 | P | 82.9 | Confident | 88.1 | Confident | 47 Ų | 47 | 64.1 Ų | 64.1 | 31% | 0.305 | 34% | 0.344 | S | S | . | . | trans | -56.1 | 142 | 176.6 | -22.7 | 32.8 | 0 | 0 | 0 | 111.7 | E1005 Q1006 | P1003-E1005 VanDerWaalsContact CB-OE2 3.24Å; P1003-E1005 WeakPolarHBondContact CB-OE2 3.41Å; P1003-E1005 PolarHBondContact O-N 3.04Å; P1003-Q1006 PolarHBondContact O-N 3.27Å | ||
| 1004 | P | 78 | Confident | 87.9 | Confident | 126 Ų | 126 | 65.3 Ų | 65.3 | 82% | 0.818 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -25.4 | -177.5 | -22.1 | 31.4 | 0 | 0 | 0 | 113.8 | Q1006 | P1004-Q1006 PolarHBondContact O-N 3.18Š|
| 1005 | E | 79.4 | Confident | 87.6 | Confident | 160 Ų | 160 | 69.5 Ų | 69.5 | 75% | 0.748 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | -5.8 | 180 | -48.3 | 81.1 | -169.5 | 0 | 0 | 113.4 | P1003 | P1003-E1005 VanDerWaalsContact CB-OE2 3.24Å; P1003-E1005 WeakPolarHBondContact CB-OE2 3.41Å; P1003-E1005 PolarHBondContact O-N 3.04Å |
| 1006 | Q | 80.2 | Confident | 87.3 | Confident | 47 Ų | 47 | 74 Ų | 74 | 22% | 0.22 | 39% | 0.386 | C | S | . | . | S | Bend | trans | -126.2 | 89.5 | -175.9 | -170.2 | -179.2 | -27.6 | 0 | 0 | 110.8 | P819 P1003 P1004 | P819-Q1006 PolarHBondContact O-NE2 3.38Å; P1003-Q1006 PolarHBondContact O-N 3.27Å; P1004-Q1006 PolarHBondContact O-N 3.18Å |
| 1007 | P | 83.1 | Confident | 87.2 | Confident | 79 Ų | 79 | 71.3 Ų | 71.3 | 51% | 0.513 | 37% | 0.37 | S | S | . | . | trans | -61.2 | 142.7 | 171.7 | 27.7 | -34.1 | 0 | 0 | 0 | 109.8 | ||||
| 1008 | L | 86.2 | Confident | 87.3 | Confident | 25 Ų | 25 | 65.4 Ų | 65.4 | 13% | 0.131 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -57.2 | -56.5 | 179.2 | -178.8 | 64.8 | 0 | 0 | 0 | 110.1 | P819 F993 T996 F999 L1002 M1020 | P819-L1008 HydrophobicContact CB-CD1 4.4Å; F993-L1008 HydrophobicContact CD1-CD2 4.09Å; F993-L1008 HydrophobicContact CE1-CD2 3.97Å; T996-L1008 HydrophobicContact CG2-CD2 4.33Å; F999-L1008 HydrophobicContact CB-CD1 4.13Å; F999-L1008 HydrophobicContact CB-CD2 4.42Å; F999-L1008 HydrophobicContact CG-CD1 4.4Å; L1002-L1008 HydrophobicContact CD1-CB 4.31Å; L1002-L1008 HydrophobicContact CD1-CD1 3.75Å; L1008-M1020 HydrophobicContact CD1-CG 4.43Å; L1008-M1020 VanDerWaalsContact O-CG 3.23Å; L1008-M1020 WeakPolarHBondContact O-CG 3.26Å |
| 1009 | F | 90.6 | Very high | 87.1 | Confident | 29 Ų | 29 | 68.3 Ų | 68.3 | 13% | 0.127 | 36% | 0.362 | C | S | . | . | trans | -108.9 | 133.9 | 175.8 | -62.7 | -60.8 | 0 | 0 | 0 | 109.4 | V989 A990 F993 D1017 M1020 A1021 | V989-F1009 HydrophobicContact CG1-CE1 4.09Å; V989-F1009 HydrophobicContact CG1-CZ 4.4Å; A990-F1009 HydrophobicContact CB-CB 4.1Å; A990-F1009 HydrophobicContact CB-CD2 3.64Å; A990-F1009 HydrophobicContact CB-CE2 4.37Å; A990-F1009 HydrophobicContact CB-CG 4.04Å; F993-F1009 HydrophobicContact CB-CE2 3.77Å; F993-F1009 HydrophobicContact CB-CZ 3.84Å; F993-F1009 AromaticContact CD1-CE2 3.72Å; F993-F1009 HydrophobicContact CD1-CE2 3.72Å; F993-F1009 AromaticContact CD1-CZ 3.71Å; F993-F1009 HydrophobicContact CD1-CZ 3.71Å; F993-F1009 AromaticContact CD2-CZ 3.98Å; F993-F1009 HydrophobicContact CD2-CZ 3.98Å; F993-F1009 HydrophobicContact CE1-CE2 4.48Å; F993-F1009 HydrophobicContact CE1-CZ 4.22Å; F993-F1009 HydrophobicContact CE2-CZ 4.46Å; F993-F1009 AromaticContact CG-CE2 3.82Å; F993-F1009 HydrophobicContact CG-CE2 3.82Å; F993-F1009 AromaticContact CG-CZ 3.58Å; F993-F1009 HydrophobicContact CG-CZ 3.58Å; F1009-D1017 WeakPolarHBondContact CA-OD1 3.37Å; F1009-D1017 HydrophobicContact CB-CB 4.39Å; F1009-D1017 HydrophobicContact CD1-CB 3.7Å; F1009-D1017 HydrophobicContact CE1-CB 4.44Å; F1009-D1017 VanDerWaalsContact CE1-O 3.24Å; F1009-D1017 WeakPolarHBondContact CE1-O 3.29Å; F1009-D1017 HydrophobicContact CG-CB 4.36Å; F1009-M1020 HydrophobicContact CD1-CB 4.23Å; F1009-M1020 HydrophobicContact CD1-CG 4.28Å; F1009-M1020 HydrophobicContact CE1-CB 4.16Å; F1009-M1020 HydrophobicContact CE1-CG 4.19Å; F1009-A1021 HydrophobicContact CE1-CB 3.96Å; F1009-A1021 HydrophobicContact CZ-CB 4.13Å | ||
| 1010 | K | 86.4 | Confident | 87 | Confident | 134 Ų | 134 | 70.1 Ų | 70.1 | 58% | 0.583 | 37% | 0.371 | S | S | * | . | trans | -85.3 | -22 | -177.7 | -67.4 | -179.3 | -176.3 | 172.7 | 0 | 111.8 | N1012 D1017 | K1010-N1012 PolarHBondContact O-N 3.1Å; K1010-D1017 PolarHBondContact N-OD1 3.06Å | ||
| 1011 | G | 85.7 | Confident | 87.3 | Confident | 49 Ų | 49 | 63.2 Ų | 63.2 | 51% | 0.505 | 34% | 0.339 | S | S | . | . | trans | 76.1 | 8.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | D1017 | G1011-D1017 VanDerWaalsContact CA-OD2 3.29Å; G1011-D1017 WeakPolarHBondContact CA-OD2 3.34Å; G1011-D1017 PolarHBondContact N-OD1 3.16Å; G1011-D1017 PolarHBondContact N-OD2 2.7Å | ||
| 1012 | N | 87.3 | Confident | 87.6 | Confident | 109 Ų | 109 | 62.4 Ų | 62.4 | 58% | 0.583 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -73.4 | -44.6 | -174.3 | -68.9 | -23.8 | 0 | 0 | 0 | 112.8 | K1010 E1016 | K1010-N1012 PolarHBondContact O-N 3.1Å; N1012-E1016 WeakPolarHBondContact CB-OE2 3.24Å; N1012-E1016 PolarHBondContact ND2-OE2 3.04Å |
| 1013 | S | 90.2 | Very high | 87.8 | Confident | 35 Ų | 35 | 61.5 Ų | 61.5 | 25% | 0.245 | 33% | 0.328 | C | S | . | . | trans | -155.1 | 158.8 | 180 | 69.1 | 0 | 0 | 0 | 0 | 110.6 | E1015 E1016 D1017 | S1013-E1015 VanDerWaalsContact C-N 3.26Å; S1013-E1015 PolarHBondContact O-N 3.44Å; S1013-E1016 WeakPolarHBondContact OG-CB 3.29Å; S1013-E1016 WeakPolarHBondContact OG-CG 3.37Å; S1013-E1016 PolarHBondContact OG-N 3.15Å; S1013-E1016 VanDerWaalsContact OG-N 3.09Å; S1013-D1017 PolarHBondContact O-N 3.37Å | ||
| 1014 | Y | 91.3 | Very high | 88.4 | Confident | 33 Ų | 33 | 59.3 Ų | 59.3 | 13% | 0.129 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -59.3 | -41.7 | 174.1 | 172.4 | -95.7 | 0 | 0 | 0 | 110.9 | L979 R984 V989 M1018 | L979-Y1014 HydrophobicContact CD2-CE2 4.24Å; R984-Y1014 HydrophobicContact CB-CD1 4.08Å; R984-Y1014 HydrophobicContact CB-CD2 3.82Å; R984-Y1014 HydrophobicContact CB-CE1 4.26Å; R984-Y1014 HydrophobicContact CB-CE2 4Å; R984-Y1014 HydrophobicContact CB-CG 3.87Å; R984-Y1014 HydrophobicContact CG-CD1 4.41Å; R984-Y1014 HydrophobicContact CG-CD2 4.38Å; R984-Y1014 HydrophobicContact CG-CE1 4.1Å; R984-Y1014 HydrophobicContact CG-CE2 4.05Å; V989-Y1014 HydrophobicContact CG2-CD2 3.48Å; V989-Y1014 VanDerWaalsContact CG2-CD2 3.48Å; V989-Y1014 HydrophobicContact CG2-CE2 3.53Å; V989-Y1014 HydrophobicContact CG2-CG 4.42Å; Y1014-M1018 HydrophobicContact CE1-CB 4.43Å; Y1014-M1018 WeakPolarHBondContact O-CB 3.37Å; Y1014-M1018 PolarHBondContact O-N 3.33Å |
| 1015 | E | 89.1 | Confident | 89.2 | Confident | 126 Ų | 126 | 54.7 Ų | 54.7 | 59% | 0.589 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -65.9 | -43.2 | -177.5 | -64.3 | 72.1 | -158.2 | 0 | 0 | 112.4 | S1013 E1019 | S1013-E1015 VanDerWaalsContact C-N 3.26Å; S1013-E1015 PolarHBondContact O-N 3.44Å; E1015-E1019 WeakPolarHBondContact O-CB 3.42Å; E1015-E1019 PolarHBondContact O-N 3.26Å |
| 1016 | E | 87.9 | Confident | 89.8 | Confident | 93 Ų | 93 | 49.3 Ų | 49.3 | 44% | 0.435 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -65 | -47.2 | 178.4 | -79.7 | -174.2 | -159.9 | 0 | 0 | 111.8 | N1012 S1013 M1018 E1019 M1020 | N1012-E1016 WeakPolarHBondContact CB-OE2 3.24Å; N1012-E1016 PolarHBondContact ND2-OE2 3.04Å; S1013-E1016 WeakPolarHBondContact OG-CB 3.29Å; S1013-E1016 WeakPolarHBondContact OG-CG 3.37Å; S1013-E1016 PolarHBondContact OG-N 3.15Å; S1013-E1016 VanDerWaalsContact OG-N 3.09Å; E1016-M1018 VanDerWaalsContact C-N 3.35Å; E1016-E1019 PolarHBondContact O-N 2.82Å; E1016-M1020 PolarHBondContact O-N 3.13Å; E1016-M1020 VanDerWaalsContact O-N 3.08Å |
| 1017 | D | 92 | Very high | 90.5 | Very high | 4 Ų | 4 | 48.7 Ų | 48.7 | 2% | 0.021 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -70.8 | -34.1 | -179.4 | -76.1 | -10.7 | 0 | 0 | 0 | 111.1 | A986 V989 F1009 K1010 G1011 S1013 M1020 A1021 | A986-D1017 WeakPolarHBondContact CB-OD2 3.19Å; V989-D1017 HydrophobicContact CB-CB 4.11Å; V989-D1017 HydrophobicContact CG1-CB 4.04Å; F1009-D1017 WeakPolarHBondContact CA-OD1 3.37Å; F1009-D1017 HydrophobicContact CB-CB 4.39Å; F1009-D1017 HydrophobicContact CD1-CB 3.7Å; F1009-D1017 HydrophobicContact CE1-CB 4.44Å; F1009-D1017 VanDerWaalsContact CE1-O 3.24Å; F1009-D1017 WeakPolarHBondContact CE1-O 3.29Å; F1009-D1017 HydrophobicContact CG-CB 4.36Å; K1010-D1017 PolarHBondContact N-OD1 3.06Å; G1011-D1017 VanDerWaalsContact CA-OD2 3.29Å; G1011-D1017 WeakPolarHBondContact CA-OD2 3.34Å; G1011-D1017 PolarHBondContact N-OD1 3.16Å; G1011-D1017 PolarHBondContact N-OD2 2.7Å; S1013-D1017 PolarHBondContact O-N 3.37Å; D1017-M1020 WeakPolarHBondContact O-CB 3.14Å; D1017-M1020 PolarHBondContact O-N 2.87Å; D1017-A1021 PolarHBondContact O-N 2.89Å |
| 1018 | M | 93.5 | Very high | 91.1 | Very high | 21 Ų | 21 | 45 Ų | 45 | 10% | 0.103 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -66.9 | -42.3 | 174.7 | -171.7 | 63.1 | -165.3 | 0 | 0 | 111.8 | F975 L976 L979 V989 Y1014 E1016 M1020 A1021 E1022 | F975-M1018 HydrophobicContact CE1-CE 4.29Å; F975-M1018 HydrophobicContact CE1-SD 4.29Å; F975-M1018 HydrophobicContact CZ-SD 4.35Å; L976-M1018 HydrophobicContact CD2-CE 3.63Å; L979-M1018 HydrophobicContact CD1-CE 4.24Å; L979-M1018 HydrophobicContact CD1-SD 3.66Å; V989-M1018 HydrophobicContact CG2-CB 4.42Å; Y1014-M1018 HydrophobicContact CE1-CB 4.43Å; Y1014-M1018 WeakPolarHBondContact O-CB 3.37Å; Y1014-M1018 PolarHBondContact O-N 3.33Å; E1016-M1018 VanDerWaalsContact C-N 3.35Å; M1018-M1020 VanDerWaalsContact C-N 3.26Å; M1018-M1020 PolarHBondContact O-N 3.28Å; M1018-A1021 WeakPolarHBondContact O-CB 3.2Å; M1018-A1021 PolarHBondContact O-N 3.49Å; M1018-A1021 VanDerWaalsContact O-N 3.15Å; M1018-E1022 HydrophobicContact CE-CG 4.16Å; M1018-E1022 WeakPolarHBondContact O-CG 3.16Å; M1018-E1022 PolarHBondContact O-N 3.25Å |
| 1019 | E | 90.8 | Very high | 91.6 | Very high | 64 Ų | 64 | 48.9 Ų | 48.9 | 30% | 0.299 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -62.2 | -36.1 | 174.3 | -179.5 | 57.2 | -149.2 | 0 | 0 | 111.4 | P816 E1015 E1016 E1022 A1023 R1026 | P816-E1019 WeakPolarHBondContact CD-OE1 3.34Å; E1015-E1019 WeakPolarHBondContact O-CB 3.42Å; E1015-E1019 PolarHBondContact O-N 3.26Å; E1016-E1019 PolarHBondContact O-N 2.82Å; E1019-E1022 PolarHBondContact O-N 2.86Å; E1019-A1023 WeakPolarHBondContact O-CB 3.47Å; E1019-A1023 PolarHBondContact O-N 3.35Å; E1019-R1026 IonicContact OE1-CZ 3.47Å; E1019-R1026 IonicContact OE1-NH1 2.71Å; E1019-R1026 PolarHBondContact OE1-NH1 3.19Å; E1019-R1026 IonicContact OE1-NH2 3.16Å; E1019-R1026 PolarHBondContact OE1-NH2 3.22Å; E1019-R1026 IonicContact OE2-NH2 2.85Å; E1019-R1026 PolarHBondContact OE2-NH2 3.18Å |
| 1020 | M | 91.4 | Very high | 91.6 | Very high | 42 Ų | 42 | 50.6 Ų | 50.6 | 21% | 0.207 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -66.9 | -41.9 | 172.7 | -176 | 64.3 | 73.8 | 0 | 0 | 112.4 | P819 L1008 F1009 E1016 D1017 M1018 E1022 A1023 C1024 | P819-M1020 HydrophobicContact CB-SD 4.1Å; L1008-M1020 HydrophobicContact CD1-CG 4.43Å; L1008-M1020 VanDerWaalsContact O-CG 3.23Å; L1008-M1020 WeakPolarHBondContact O-CG 3.26Å; F1009-M1020 HydrophobicContact CD1-CB 4.23Å; F1009-M1020 HydrophobicContact CD1-CG 4.28Å; F1009-M1020 HydrophobicContact CE1-CB 4.16Å; F1009-M1020 HydrophobicContact CE1-CG 4.19Å; E1016-M1020 PolarHBondContact O-N 3.13Å; E1016-M1020 VanDerWaalsContact O-N 3.08Å; D1017-M1020 WeakPolarHBondContact O-CB 3.14Å; D1017-M1020 PolarHBondContact O-N 2.87Å; M1018-M1020 VanDerWaalsContact C-N 3.26Å; M1018-M1020 PolarHBondContact O-N 3.28Å; M1020-E1022 VanDerWaalsContact C-N 3.28Å; M1020-E1022 PolarHBondContact O-N 3.05Å; M1020-A1023 WeakPolarHBondContact O-CB 3.48Å; M1020-A1023 PolarHBondContact O-N 3.02Å; M1020-C1024 PolarHBondContact O-N 3.43Å; M1020-C1024 PolarHBondContact O-SG 2.62Å |
| 1021 | A | 93.4 | Very high | 92 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.5 | -41.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | W972 F975 V989 F993 F1009 D1017 M1018 C1024 W1025 | W972-A1021 HydrophobicContact CH2-CB 4.42Å; F975-A1021 HydrophobicContact CE1-CB 4.22Å; F975-A1021 HydrophobicContact CZ-CB 4.11Å; V989-A1021 HydrophobicContact CG1-CB 4.07Å; F993-A1021 HydrophobicContact CD2-CB 3.82Å; F993-A1021 HydrophobicContact CE2-CB 3.88Å; F1009-A1021 HydrophobicContact CE1-CB 3.96Å; F1009-A1021 HydrophobicContact CZ-CB 4.13Å; D1017-A1021 PolarHBondContact O-N 2.89Å; M1018-A1021 WeakPolarHBondContact O-CB 3.2Å; M1018-A1021 PolarHBondContact O-N 3.49Å; M1018-A1021 VanDerWaalsContact O-N 3.15Å; A1021-C1024 WeakPolarHBondContact O-CB 3.33Å; A1021-C1024 PolarHBondContact O-N 2.77Å; A1021-W1025 PolarHBondContact O-N 2.65Å |
| 1022 | E | 93.6 | Very high | 92.5 | Very high | 69 Ų | 69 | 42.9 Ų | 42.9 | 32% | 0.322 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -65.9 | -40 | 172.9 | -70.9 | -168.8 | -173.7 | 0 | 0 | 112.9 | W972 M1018 E1019 M1020 C1024 W1025 R1026 | W972-E1022 HydrophobicContact CH2-CG 4.41Å; W972-E1022 HydrophobicContact CZ2-CG 4.4Å; M1018-E1022 HydrophobicContact CE-CG 4.16Å; M1018-E1022 WeakPolarHBondContact O-CG 3.16Å; M1018-E1022 PolarHBondContact O-N 3.25Å; E1019-E1022 PolarHBondContact O-N 2.86Å; M1020-E1022 VanDerWaalsContact C-N 3.28Å; M1020-E1022 PolarHBondContact O-N 3.05Å; E1022-C1024 VanDerWaalsContact C-N 3.31Å; E1022-C1024 PolarHBondContact O-N 2.94Å; E1022-W1025 CarbonylContact O-C 3.59Å; E1022-W1025 WeakPolarHBondContact O-CB 3.44Å; E1022-W1025 PolarHBondContact O-N 2.59Å; E1022-R1026 VanDerWaalsContact O-CG 3.29Å; E1022-R1026 WeakPolarHBondContact O-CG 3.32Å; E1022-R1026 PolarHBondContact O-N 3.2Å; E1022-R1026 IonicContact OE2-CZ 2.79Å; E1022-R1026 IonicContact OE2-NH2 3.48Å; E1022-R1026 PolarHBondContact OE2-NH2 2.96Å |
| 1023 | A | 91.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.2 | -41.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | P816 G818 E1019 M1020 W1025 R1026 Y1027 | P816-A1023 HydrophobicContact CB-CB 3.85Å; P816-A1023 HydrophobicContact CG-CB 4.44Å; P816-A1023 WeakPolarHBondContact O-CB 3.35Å; G818-A1023 WeakPolarHBondContact CA-O 3.33Å; E1019-A1023 WeakPolarHBondContact O-CB 3.47Å; E1019-A1023 PolarHBondContact O-N 3.35Å; M1020-A1023 WeakPolarHBondContact O-CB 3.48Å; M1020-A1023 PolarHBondContact O-N 3.02Å; A1023-W1025 VanDerWaalsContact C-N 3.35Å; A1023-R1026 PolarHBondContact O-N 3.01Å; A1023-Y1027 PolarHBondContact O-N 3.19Å |
| 1024 | C | 94.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.1 | -41.3 | 173.3 | -67.3 | 0 | 0 | 0 | 0 | 112 | F993 F999 M1020 A1021 E1022 Y1027 I1028 | F993-C1024 HydrophobicContact CE1-CB 4.48Å; F993-C1024 HydrophobicContact CE2-CB 4.22Å; F993-C1024 HydrophobicContact CZ-CB 3.57Å; F999-C1024 HydrophobicContact CD2-CB 4.29Å; F999-C1024 HydrophobicContact CE1-CB 4.5Å; F999-C1024 HydrophobicContact CE2-CB 3.5Å; F999-C1024 HydrophobicContact CZ-CB 3.61Å; M1020-C1024 PolarHBondContact O-N 3.43Å; M1020-C1024 PolarHBondContact O-SG 2.62Å; A1021-C1024 WeakPolarHBondContact O-CB 3.33Å; A1021-C1024 PolarHBondContact O-N 2.77Å; E1022-C1024 VanDerWaalsContact C-N 3.31Å; E1022-C1024 PolarHBondContact O-N 2.94Å; C1024-Y1027 WeakPolarHBondContact O-CB 3.5Å; C1024-Y1027 PolarHBondContact O-N 3.49Å; C1024-I1028 WeakPolarHBondContact O-CG1 3.15Å; C1024-I1028 PolarHBondContact O-N 3.18Å |
| 1025 | W | 95.4 | Very high | 93 | Very high | 30 Ų | 30 | 38.4 Ų | 38.4 | 11% | 0.114 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62 | -44.6 | 173 | 174.7 | -112.7 | 0 | 0 | 0 | 112.3 | F964 V968 T969 W972 F995 A1021 E1022 A1023 Y1027 I1028 R1029 | F964-W1025 AromaticContact CE2-CH2 3.64Å; F964-W1025 HydrophobicContact CE2-CH2 3.64Å; F964-W1025 HydrophobicContact CE2-CZ2 4.26Å; F964-W1025 HydrophobicContact CE2-CZ3 4.25Å; F964-W1025 AromaticContact CZ-CH2 3.87Å; F964-W1025 HydrophobicContact CZ-CH2 3.87Å; F964-W1025 HydrophobicContact CZ-CZ2 4.07Å; V968-W1025 HydrophobicContact CG1-CH2 4.33Å; V968-W1025 HydrophobicContact CG1-CZ3 3.79Å; T969-W1025 HydrophobicContact CG2-CH2 3.76Å; T969-W1025 HydrophobicContact CG2-CZ2 4.23Å; W972-W1025 HydrophobicContact CB-CD2 4.33Å; W972-W1025 HydrophobicContact CB-CE3 3.77Å; W972-W1025 HydrophobicContact CB-CH2 3.86Å; W972-W1025 HydrophobicContact CB-CZ2 4.39Å; W972-W1025 HydrophobicContact CB-CZ3 3.49Å; W972-W1025 VanDerWaalsContact CB-CZ3 3.49Å; W972-W1025 AromaticContact CD1-CD2 3.79Å; W972-W1025 AromaticContact CD1-CE2 3.6Å; W972-W1025 AromaticContact CD1-CZ2 3.82Å; W972-W1025 AromaticContact CD1-NE1 3.96Å; W972-W1025 HydrophobicContact CD2-CB 4.14Å; W972-W1025 AromaticContact CD2-CD2 3.62Å; W972-W1025 HydrophobicContact CD2-CD2 3.62Å; W972-W1025 AromaticContact CD2-CE3 3.68Å; W972-W1025 HydrophobicContact CD2-CE3 3.68Å; W972-W1025 AromaticContact CD2-CG 3.81Å; W972-W1025 HydrophobicContact CD2-CG 3.81Å; W972-W1025 HydrophobicContact CD2-CZ3 4.34Å; W972-W1025 AromaticContact CE2-CD1 3.78Å; W972-W1025 AromaticContact CE2-CD2 3.75Å; W972-W1025 AromaticContact CE2-CG 3.53Å; W972-W1025 HydrophobicContact CE3-CB 4.09Å; W972-W1025 HydrophobicContact CE3-CD2 4.21Å; W972-W1025 HydrophobicContact CE3-CE3 4.02Å; W972-W1025 HydrophobicContact CE3-CG 4.24Å; W972-W1025 AromaticContact CG-CD2 3.66Å; W972-W1025 HydrophobicContact CG-CD2 3.66Å; W972-W1025 AromaticContact CG-CE2 3.91Å; W972-W1025 AromaticContact CG-CE3 3.57Å; W972-W1025 HydrophobicContact CG-CE3 3.57Å; W972-W1025 HydrophobicContact CG-CG 4.3Å; W972-W1025 HydrophobicContact CG-CH2 4.05Å; W972-W1025 HydrophobicContact CG-CZ2 4.12Å; W972-W1025 AromaticContact CG-CZ3 3.76Å; W972-W1025 HydrophobicContact CG-CZ3 3.76Å; W972-W1025 HydrophobicContact CH2-CB 3.66Å; W972-W1025 HydrophobicContact CH2-CG 4.17Å; W972-W1025 HydrophobicContact CZ2-CB 3.71Å; W972-W1025 AromaticContact CZ2-CD1 3.96Å; W972-W1025 HydrophobicContact CZ2-CD2 4.42Å; W972-W1025 AromaticContact CZ2-CG 3.74Å; W972-W1025 HydrophobicContact CZ2-CG 3.74Å; W972-W1025 HydrophobicContact CZ3-CB 3.85Å; W972-W1025 HydrophobicContact CZ3-CG 4.41Å; W972-W1025 AromaticContact NE1-CD1 3.75Å; W972-W1025 AromaticContact NE1-CD2 3.83Å; W972-W1025 AromaticContact NE1-CE2 3.75Å; W972-W1025 AromaticContact NE1-CG 3.86Å; W972-W1025 AromaticContact NE1-NE1 3.66Å; F995-W1025 AromaticContact CE2-CE3 3.96Å; F995-W1025 HydrophobicContact CE2-CE3 3.96Å; F995-W1025 HydrophobicContact CE2-CZ3 4.19Å; F995-W1025 HydrophobicContact CZ-CE3 4.39Å; F995-W1025 HydrophobicContact CZ-CZ3 4.16Å; A1021-W1025 PolarHBondContact O-N 2.65Å; E1022-W1025 CarbonylContact O-C 3.59Å; E1022-W1025 WeakPolarHBondContact O-CB 3.44Å; E1022-W1025 PolarHBondContact O-N 2.59Å; A1023-W1025 VanDerWaalsContact C-N 3.35Å; W1025-Y1027 VanDerWaalsContact C-N 3.3Å; W1025-Y1027 PolarHBondContact O-N 3.25Å; W1025-I1028 PolarHBondContact O-N 3.43Å; W1025-R1029 VanDerWaalsContact O-CB 3.29Å; W1025-R1029 WeakPolarHBondContact O-CB 3.46Å; W1025-R1029 PolarHBondContact O-N 2.94Å |
| 1026 | R | 93.3 | Very high | 93.1 | Very high | 46 Ų | 46 | 35.5 Ų | 35.5 | 17% | 0.174 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.1 | -40.6 | 175.8 | -69.6 | 172 | -152.2 | 125 | -3.9 | 111 | S815 P816 E1019 E1022 A1023 N1030 | S815-R1026 VanDerWaalsContact CB-CZ 3.47Å; S815-R1026 PolarHBondContact OG-NH2 3.45Å; P816-R1026 PolarHBondContact O-NH1 3.27Å; E1019-R1026 IonicContact OE1-CZ 3.47Å; E1019-R1026 IonicContact OE1-NH1 2.71Å; E1019-R1026 PolarHBondContact OE1-NH1 3.19Å; E1019-R1026 IonicContact OE1-NH2 3.16Å; E1019-R1026 PolarHBondContact OE1-NH2 3.22Å; E1019-R1026 IonicContact OE2-NH2 2.85Å; E1019-R1026 PolarHBondContact OE2-NH2 3.18Å; E1022-R1026 VanDerWaalsContact O-CG 3.29Å; E1022-R1026 WeakPolarHBondContact O-CG 3.32Å; E1022-R1026 PolarHBondContact O-N 3.2Å; E1022-R1026 IonicContact OE2-CZ 2.79Å; E1022-R1026 IonicContact OE2-NH2 3.48Å; E1022-R1026 PolarHBondContact OE2-NH2 2.96Å; A1023-R1026 PolarHBondContact O-N 3.01Å; R1026-N1030 WeakPolarHBondContact O-CB 3.49Å; R1026-N1030 PolarHBondContact O-N 2.93Å |
| 1027 | Y | 94.3 | Very high | 93.1 | Very high | 34 Ų | 34 | 34.4 Ų | 34.4 | 13% | 0.133 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.1 | -52.2 | 174.5 | -178.2 | -91 | 0 | 0 | 0 | 111.9 | R817 Y820 F998 F999 A1023 C1024 W1025 R1029 N1030 V1031 | R817-Y1027 WeakPolarHBondContact O-CA 3.29Å; R817-Y1027 WeakPolarHBondContact O-CB 3.43Å; R817-Y1027 PolarHBondContact O-N 3.42Å; Y820-Y1027 HydrophobicContact CD2-CD2 4.1Å; Y820-Y1027 HydrophobicContact CD2-CE1 4.27Å; Y820-Y1027 AromaticContact CD2-CE2 3.54Å; Y820-Y1027 HydrophobicContact CD2-CE2 3.54Å; Y820-Y1027 AromaticContact CD2-CZ 3.64Å; Y820-Y1027 HydrophobicContact CE2-CD1 4.34Å; Y820-Y1027 HydrophobicContact CE2-CD2 4.48Å; Y820-Y1027 AromaticContact CE2-CE1 3.75Å; Y820-Y1027 HydrophobicContact CE2-CE1 3.75Å; Y820-Y1027 AromaticContact CE2-CE2 3.89Å; Y820-Y1027 HydrophobicContact CE2-CE2 3.89Å; Y820-Y1027 AromaticContact CE2-CZ 3.49Å; Y820-Y1027 VanDerWaalsContact CE2-CZ 3.49Å; F998-Y1027 HydrophobicContact CE1-CD1 4.22Å; F998-Y1027 AromaticContact CE1-CE1 3.99Å; F998-Y1027 HydrophobicContact CE1-CE1 3.99Å; F998-Y1027 HydrophobicContact CZ-CE1 4.36Å; F999-Y1027 AromaticContact CE1-CD1 3.8Å; F999-Y1027 HydrophobicContact CE1-CD1 3.8Å; F999-Y1027 HydrophobicContact CE1-CE1 4.29Å; F999-Y1027 HydrophobicContact CE1-CG 4.38Å; F999-Y1027 HydrophobicContact CZ-CD1 4.11Å; A1023-Y1027 PolarHBondContact O-N 3.19Å; C1024-Y1027 WeakPolarHBondContact O-CB 3.5Å; C1024-Y1027 PolarHBondContact O-N 3.49Å; W1025-Y1027 VanDerWaalsContact C-N 3.3Å; W1025-Y1027 PolarHBondContact O-N 3.25Å; Y1027-R1029 PolarHBondContact O-N 3.35Å; Y1027-N1030 PolarHBondContact O-N 2.74Å; Y1027-V1031 HydrophobicContact CE1-CG2 4.25Å; Y1027-V1031 PolarHBondContact O-N 2.93Å; Y1027-V1031 VanDerWaalsContact O-N 3.13Å |
| 1028 | I | 95.8 | Very high | 93.1 | Very high | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -59.9 | -49.1 | 179 | -71 | 170.3 | 0 | 0 | 0 | 110.1 | L943 V968 F995 F998 F999 C1024 W1025 N1030 V1031 F1032 | L943-I1028 HydrophobicContact CD1-CD1 4.37Å; L943-I1028 HydrophobicContact CD2-CG2 3.81Å; V968-I1028 HydrophobicContact CG1-CG2 3.67Å; F995-I1028 HydrophobicContact CB-CD1 3.83Å; F995-I1028 HydrophobicContact CD1-CD1 3.99Å; F995-I1028 HydrophobicContact CD2-CD1 3.63Å; F995-I1028 HydrophobicContact CE1-CD1 4.49Å; F995-I1028 HydrophobicContact CE2-CD1 4.15Å; F995-I1028 HydrophobicContact CG-CD1 3.54Å; F998-I1028 HydrophobicContact CD1-CD1 4.3Å; F998-I1028 HydrophobicContact CD1-CG1 4.24Å; F998-I1028 HydrophobicContact CE1-CG1 4.09Å; F999-I1028 HydrophobicContact CE2-CD1 3.85Å; F999-I1028 HydrophobicContact CE2-CG1 4.33Å; F999-I1028 HydrophobicContact CZ-CD1 3.96Å; F999-I1028 HydrophobicContact CZ-CG1 3.92Å; C1024-I1028 WeakPolarHBondContact O-CG1 3.15Å; C1024-I1028 PolarHBondContact O-N 3.18Å; W1025-I1028 PolarHBondContact O-N 3.43Å; I1028-N1030 VanDerWaalsContact C-N 3.31Å; I1028-N1030 PolarHBondContact O-N 2.89Å; I1028-V1031 WeakPolarHBondContact O-CB 3.37Å; I1028-V1031 PolarHBondContact O-N 2.79Å; I1028-F1032 HydrophobicContact CG2-CD2 4.23Å; I1028-F1032 HydrophobicContact CG2-CE2 3.82Å; I1028-F1032 WeakPolarHBondContact O-CD2 3.43Å; I1028-F1032 PolarHBondContact O-N 2.99Å |
| 1029 | R | 95.2 | Very high | 93 | Very high | 108 Ų | 108 | 36.8 Ų | 36.8 | 41% | 0.408 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -57.6 | -45.2 | 178 | -171.9 | -174.6 | 72.8 | -162.6 | -4.3 | 111.1 | F964 W1025 Y1027 V1031 F1032 D1033 | F964-R1029 HydrophobicContact CZ-CB 4.34Å; F964-R1029 HydrophobicContact CZ-CG 3.93Å; W1025-R1029 VanDerWaalsContact O-CB 3.29Å; W1025-R1029 WeakPolarHBondContact O-CB 3.46Å; W1025-R1029 PolarHBondContact O-N 2.94Å; Y1027-R1029 PolarHBondContact O-N 3.35Å; R1029-V1031 VanDerWaalsContact C-N 3.3Å; R1029-V1031 PolarHBondContact O-N 2.94Å; R1029-F1032 PolarHBondContact O-N 2.69Å; R1029-D1033 WeakPolarHBondContact CG-OD2 3.42Å; R1029-D1033 IonicContact NE-OD2 2.66Å; R1029-D1033 PolarHBondContact NE-OD2 2.91Å; R1029-D1033 PolarHBondContact O-N 3.18Å |
| 1030 | N | 92.4 | Very high | 92.9 | Very high | 65 Ų | 65 | 35.3 Ų | 35.3 | 35% | 0.348 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -57.8 | -41.7 | 178.8 | -172.1 | 76.6 | 0 | 0 | 0 | 111.6 | R1026 Y1027 I1028 F1032 D1033 E1034 | R1026-N1030 WeakPolarHBondContact O-CB 3.49Å; R1026-N1030 PolarHBondContact O-N 2.93Å; Y1027-N1030 PolarHBondContact O-N 2.74Å; I1028-N1030 VanDerWaalsContact C-N 3.31Å; I1028-N1030 PolarHBondContact O-N 2.89Å; N1030-F1032 PolarHBondContact O-N 2.9Å; N1030-D1033 PolarHBondContact O-N 3.05Å; N1030-D1033 VanDerWaalsContact O-N 3.14Å; N1030-E1034 PolarHBondContact ND2-OE1 2.91Å; N1030-E1034 VanDerWaalsContact O-CG 3.28Å; N1030-E1034 WeakPolarHBondContact O-CG 3.42Å; N1030-E1034 PolarHBondContact O-N 3Å |
| 1031 | V | 94.2 | Very high | 92.8 | Very high | 9 Ų | 9 | 33.3 Ų | 33.3 | 6% | 0.055 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -52.6 | -42.4 | 174.8 | 171.2 | 0 | 0 | 0 | 0 | 111.8 | L936 E939 V940 Y1027 I1028 R1029 L1035 | L936-V1031 HydrophobicContact CB-CG1 4.35Å; L936-V1031 HydrophobicContact CD2-CB 4.33Å; L936-V1031 HydrophobicContact CD2-CG1 4.01Å; L936-V1031 HydrophobicContact CD2-CG2 4.19Å; E939-V1031 HydrophobicContact CB-CG1 4.3Å; V940-V1031 HydrophobicContact CG2-CG1 4.02Å; Y1027-V1031 HydrophobicContact CE1-CG2 4.25Å; Y1027-V1031 PolarHBondContact O-N 2.93Å; Y1027-V1031 VanDerWaalsContact O-N 3.13Å; I1028-V1031 WeakPolarHBondContact O-CB 3.37Å; I1028-V1031 PolarHBondContact O-N 2.79Å; R1029-V1031 VanDerWaalsContact C-N 3.3Å; R1029-V1031 PolarHBondContact O-N 2.94Å; V1031-L1035 HydrophobicContact CG1-CD1 4.29Å; V1031-L1035 VanDerWaalsContact O-CG 3.3Å; V1031-L1035 WeakPolarHBondContact O-CG 3.33Å; V1031-L1035 PolarHBondContact O-N 3.13Å |
| 1032 | F | 96.5 | Very high | 92.6 | Very high | 11 Ų | 11 | 36 Ų | 36 | 5% | 0.048 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -78.9 | -35 | 178.7 | -64.7 | -77.2 | 0 | 0 | 0 | 113.3 | V940 L943 A960 F963 F964 V968 I1028 R1029 N1030 L1035 D1036 | V940-F1032 HydrophobicContact CB-CE1 4.46Å; V940-F1032 HydrophobicContact CG1-CE1 4.05Å; V940-F1032 HydrophobicContact CG1-CZ 4.32Å; V940-F1032 HydrophobicContact CG2-CD1 4.22Å; V940-F1032 HydrophobicContact CG2-CE1 3.56Å; V940-F1032 HydrophobicContact CG2-CZ 3.9Å; L943-F1032 HydrophobicContact CD2-CE2 3.88Å; L943-F1032 HydrophobicContact CD2-CZ 3.99Å; A960-F1032 HydrophobicContact CB-CD1 4.37Å; A960-F1032 HydrophobicContact CB-CE1 4.2Å; A960-F1032 VanDerWaalsContact O-CE1 3.27Å; A960-F1032 WeakPolarHBondContact O-CE1 3.33Å; F963-F1032 HydrophobicContact CD1-CE1 4.11Å; F963-F1032 AromaticContact CD1-CZ 3.86Å; F963-F1032 HydrophobicContact CD1-CZ 3.86Å; F963-F1032 HydrophobicContact CE1-CZ 4.08Å; F964-F1032 HydrophobicContact CB-CB 4.31Å; F964-F1032 HydrophobicContact CB-CD1 3.57Å; F964-F1032 HydrophobicContact CB-CD2 4Å; F964-F1032 HydrophobicContact CB-CE1 3.74Å; F964-F1032 HydrophobicContact CB-CE2 4.18Å; F964-F1032 HydrophobicContact CB-CG 3.69Å; F964-F1032 HydrophobicContact CB-CZ 4.04Å; F964-F1032 HydrophobicContact CD1-CB 4.16Å; F964-F1032 HydrophobicContact CD1-CG 4.32Å; F964-F1032 HydrophobicContact CD2-CB 4.16Å; F964-F1032 HydrophobicContact CD2-CD1 4.31Å; F964-F1032 AromaticContact CD2-CD2 3.13Å; F964-F1032 HydrophobicContact CD2-CD2 3.13Å; F964-F1032 AromaticContact CD2-CE2 3.46Å; F964-F1032 HydrophobicContact CD2-CE2 3.46Å; F964-F1032 VanDerWaalsContact CD2-CE2 3.46Å; F964-F1032 AromaticContact CD2-CG 3.62Å; F964-F1032 HydrophobicContact CD2-CG 3.62Å; F964-F1032 HydrophobicContact CD2-CZ 4.16Å; F964-F1032 AromaticContact CE2-CD2 3.7Å; F964-F1032 HydrophobicContact CE2-CD2 3.7Å; F964-F1032 HydrophobicContact CE2-CE2 4.23Å; F964-F1032 HydrophobicContact CE2-CG 4.35Å; F964-F1032 HydrophobicContact CG-CB 3.95Å; F964-F1032 HydrophobicContact CG-CD1 4.05Å; F964-F1032 AromaticContact CG-CD2 3.67Å; F964-F1032 HydrophobicContact CG-CD2 3.67Å; F964-F1032 HydrophobicContact CG-CE1 4.46Å; F964-F1032 HydrophobicContact CG-CE2 4.15Å; F964-F1032 AromaticContact CG-CG 3.61Å; F964-F1032 HydrophobicContact CG-CG 3.61Å; V968-F1032 HydrophobicContact CG1-CE2 4.45Å; V968-F1032 HydrophobicContact CG2-CE2 4.4Å; V968-F1032 HydrophobicContact CG2-CZ 4.28Å; I1028-F1032 HydrophobicContact CG2-CD2 4.23Å; I1028-F1032 HydrophobicContact CG2-CE2 3.82Å; I1028-F1032 WeakPolarHBondContact O-CD2 3.43Å; I1028-F1032 PolarHBondContact O-N 2.99Å; R1029-F1032 PolarHBondContact O-N 2.69Å; N1030-F1032 PolarHBondContact O-N 2.9Å; F1032-L1035 HydrophobicContact CD1-CD1 4.49Å; F1032-L1035 PolarHBondContact O-N 3.01Å; F1032-D1036 WeakPolarHBondContact O-CB 3.2Å; F1032-D1036 PolarHBondContact O-N 2.99Å |
| 1033 | D | 92.3 | Very high | 92.4 | Very high | 64 Ų | 64 | 38 Ų | 38 | 34% | 0.342 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -60.7 | -45.4 | 173.9 | -65.1 | -24.3 | 0 | 0 | 0 | 110.2 | R1029 N1030 D1036 E1037 | R1029-D1033 WeakPolarHBondContact CG-OD2 3.42Å; R1029-D1033 IonicContact NE-OD2 2.66Å; R1029-D1033 PolarHBondContact NE-OD2 2.91Å; R1029-D1033 PolarHBondContact O-N 3.18Å; N1030-D1033 PolarHBondContact O-N 3.05Å; N1030-D1033 VanDerWaalsContact O-N 3.14Å; D1033-D1036 PolarHBondContact O-N 2.78Å; D1033-E1037 PolarHBondContact O-N 2.96Å; D1033-E1037 VanDerWaalsContact O-N 3.14Å |
| 1034 | E | 91.9 | Very high | 92.3 | Very high | 17 Ų | 17 | 40.4 Ų | 40.4 | 8% | 0.079 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64.6 | -40.9 | 175.5 | -54.8 | -160.7 | -161.7 | 0 | 0 | 112.1 | R904 L936 N1030 D1036 E1037 F1038 | R904-E1034 IonicContact NH1-OE2 3.02Å; L936-E1034 HydrophobicContact CD1-CB 3.64Å; L936-E1034 HydrophobicContact CD1-CG 4.49Å; N1030-E1034 PolarHBondContact ND2-OE1 2.91Å; N1030-E1034 VanDerWaalsContact O-CG 3.28Å; N1030-E1034 WeakPolarHBondContact O-CG 3.42Å; N1030-E1034 PolarHBondContact O-N 3Å; E1034-D1036 VanDerWaalsContact C-N 3.31Å; E1034-D1036 PolarHBondContact O-N 2.97Å; E1034-E1037 PolarHBondContact O-N 3Å; E1034-F1038 HydrophobicContact CB-CE2 4.33Å; E1034-F1038 WeakPolarHBondContact O-CD2 3.32Å; E1034-F1038 VanDerWaalsContact O-CG 3.22Å; E1034-F1038 WeakPolarHBondContact O-CG 3.5Å; E1034-F1038 PolarHBondContact O-N 2.88Å |
| 1035 | L | 94.1 | Very high | 91.7 | Very high | 2 Ų | 2 | 51.3 Ų | 51.3 | 1% | 0.01 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.6 | -36.6 | 176.5 | -78.7 | 171.2 | 0 | 0 | 0 | 112.3 | R933 L936 L937 V940 C957 A960 V1031 F1032 F1038 R1039 | R933-L1035 HydrophobicContact CG-CD2 3.94Å; L936-L1035 HydrophobicContact CB-CD1 4.16Å; L936-L1035 HydrophobicContact CB-CD2 3.69Å; L936-L1035 HydrophobicContact CB-CG 3.79Å; L936-L1035 HydrophobicContact CD1-CD2 4.28Å; L936-L1035 HydrophobicContact CD1-CG 4.2Å; L937-L1035 HydrophobicContact CD2-CD1 4.07Å; L937-L1035 HydrophobicContact CD2-CD2 3.88Å; L937-L1035 HydrophobicContact CG-CD2 3.92Å; V940-L1035 HydrophobicContact CG2-CD1 3.55Å; C957-L1035 PolarHBondContact SG-O 3.37Å; A960-L1035 HydrophobicContact CB-CD1 4.06Å; V1031-L1035 HydrophobicContact CG1-CD1 4.29Å; V1031-L1035 VanDerWaalsContact O-CG 3.3Å; V1031-L1035 WeakPolarHBondContact O-CG 3.33Å; V1031-L1035 PolarHBondContact O-N 3.13Å; F1032-L1035 HydrophobicContact CD1-CD1 4.49Å; F1032-L1035 PolarHBondContact O-N 3.01Å; L1035-F1038 CarbonylContact O-C 3.56Å; L1035-F1038 PolarHBondContact O-N 3.41Å; L1035-R1039 PolarHBondContact O-N 3.31Å |
| 1036 | D | 91.3 | Very high | 91.1 | Very high | 65 Ų | 65 | 51.2 Ų | 51.2 | 35% | 0.348 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -66.9 | -39.2 | 177.1 | -158.5 | 52.3 | 0 | 0 | 0 | 111.3 | R961 F1032 D1033 E1034 F1038 R1039 | R961-D1036 IonicContact CZ-OD1 3.95Å; R961-D1036 IonicContact NH1-OD1 3.24Å; R961-D1036 PolarHBondContact NH1-OD1 3.06Å; R961-D1036 IonicContact NH1-OD2 3.42Å; R961-D1036 PolarHBondContact NH1-OD2 3.22Å; F1032-D1036 WeakPolarHBondContact O-CB 3.2Å; F1032-D1036 PolarHBondContact O-N 2.99Å; D1033-D1036 PolarHBondContact O-N 2.78Å; E1034-D1036 VanDerWaalsContact C-N 3.31Å; E1034-D1036 PolarHBondContact O-N 2.97Å; D1036-F1038 VanDerWaalsContact C-N 3.34Å; D1036-R1039 WeakPolarHBondContact O-CB 3.15Å; D1036-R1039 PolarHBondContact O-N 2.88Å |
| 1037 | E | 88.5 | Confident | 90.5 | Very high | 70 Ų | 70 | 50.8 Ų | 50.8 | 33% | 0.327 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -63.3 | -39.9 | 172 | -70.7 | 173 | 176.1 | 0 | 0 | 111.6 | R904 D1033 E1034 R1039 | R904-E1037 IonicContact CZ-OE2 3.81Å; R904-E1037 IonicContact NH1-OE2 3.14Å; R904-E1037 PolarHBondContact NH1-OE2 2.93Å; R904-E1037 IonicContact NH2-OE1 2.8Å; R904-E1037 IonicContact NH2-OE2 3.89Å; R904-E1037 PolarHBondContact NH2-OE2 3.13Å; D1033-E1037 PolarHBondContact O-N 2.96Å; D1033-E1037 VanDerWaalsContact O-N 3.14Å; E1034-E1037 PolarHBondContact O-N 3Å; E1037-R1039 VanDerWaalsContact C-N 3.3Å; E1037-R1039 PolarHBondContact O-N 3.13Å |
| 1038 | F | 91.1 | Very high | 90 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -77.7 | -10 | 178.3 | -61.2 | -18.4 | 0 | 0 | 0 | 114.4 | V929 Q932 R933 L936 E1034 L1035 D1036 S1040 F1041 E1042 | V929-F1038 HydrophobicContact CB-CE1 4.37Å; V929-F1038 HydrophobicContact CG1-CB 4.34Å; V929-F1038 HydrophobicContact CG1-CD1 3.44Å; V929-F1038 VanDerWaalsContact CG1-CD1 3.44Å; V929-F1038 HydrophobicContact CG1-CD2 4.33Å; V929-F1038 HydrophobicContact CG1-CE1 3.73Å; V929-F1038 HydrophobicContact CG1-CG 3.78Å; V929-F1038 HydrophobicContact CG1-CZ 4.29Å; V929-F1038 HydrophobicContact CG2-CD1 4.48Å; V929-F1038 HydrophobicContact CG2-CE1 3.97Å; V929-F1038 HydrophobicContact CG2-CZ 4.4Å; Q932-F1038 HydrophobicContact CB-CE2 4.05Å; Q932-F1038 HydrophobicContact CG-CE2 3.77Å; Q932-F1038 HydrophobicContact CG-CZ 4.31Å; R933-F1038 HydrophobicContact CB-CB 4.46Å; R933-F1038 HydrophobicContact CB-CD2 4.17Å; R933-F1038 HydrophobicContact CG-CB 4.41Å; L936-F1038 HydrophobicContact CD1-CD2 4Å; L936-F1038 HydrophobicContact CD1-CE2 3.78Å; E1034-F1038 HydrophobicContact CB-CE2 4.33Å; E1034-F1038 WeakPolarHBondContact O-CD2 3.32Å; E1034-F1038 VanDerWaalsContact O-CG 3.22Å; E1034-F1038 WeakPolarHBondContact O-CG 3.5Å; E1034-F1038 PolarHBondContact O-N 2.88Å; L1035-F1038 CarbonylContact O-C 3.56Å; L1035-F1038 PolarHBondContact O-N 3.41Å; D1036-F1038 VanDerWaalsContact C-N 3.34Å; F1038-S1040 PolarHBondContact O-N 3.22Å; F1038-F1041 HydrophobicContact CD1-CD2 4.49Å; F1038-F1041 WeakPolarHBondContact O-CB 3.49Å; F1038-F1041 PolarHBondContact O-N 2.99Å; F1038-E1042 PolarHBondContact O-N 3.27Å |
| 1039 | R | 91.8 | Very high | 89.7 | Confident | 75 Ų | 75 | 61 Ų | 61 | 28% | 0.283 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -54.9 | -39.9 | 178.5 | -173.2 | -178.1 | -179.4 | -167 | 1.8 | 111.9 | C957 E958 L1035 D1036 E1037 F1041 E1042 L1043 | C957-R1039 HydrophobicContact CB-CB 4.01Å; C957-R1039 HydrophobicContact CB-CG 4.15Å; E958-R1039 IonicContact OE1-NH2 2.94Å; E958-R1039 IonicContact OE2-CZ 2.68Å; E958-R1039 IonicContact OE2-NE 2.78Å; E958-R1039 IonicContact OE2-NH2 3.61Å; E958-R1039 PolarHBondContact OE2-NH2 2.91Å; L1035-R1039 PolarHBondContact O-N 3.31Å; D1036-R1039 WeakPolarHBondContact O-CB 3.15Å; D1036-R1039 PolarHBondContact O-N 2.88Å; E1037-R1039 VanDerWaalsContact C-N 3.3Å; E1037-R1039 PolarHBondContact O-N 3.13Å; R1039-F1041 VanDerWaalsContact C-N 3.27Å; R1039-F1041 PolarHBondContact O-N 3.34Å; R1039-E1042 VanDerWaalsContact O-CB 3.31Å; R1039-E1042 WeakPolarHBondContact O-CB 3.33Å; R1039-E1042 PolarHBondContact O-N 3.14Å; R1039-E1042 VanDerWaalsContact O-N 3.15Å; R1039-L1043 HydrophobicContact CG-CD1 4.5Å; R1039-L1043 WeakPolarHBondContact O-CG 3.31Å; R1039-L1043 PolarHBondContact O-N 3.06Å |
| 1040 | S | 89.6 | Confident | 89.4 | Confident | 34 Ų | 34 | 58.3 Ų | 58.3 | 24% | 0.238 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.9 | -35.6 | 176.9 | -64.1 | 0 | 0 | 0 | 0 | 112.5 | F1038 E1042 L1043 L1044 Y1053 | F1038-S1040 PolarHBondContact O-N 3.22Å; S1040-E1042 VanDerWaalsContact C-N 3.33Å; S1040-E1042 PolarHBondContact O-N 3.16Å; S1040-L1043 PolarHBondContact O-N 3.45Å; S1040-L1044 WeakPolarHBondContact O-CB 3.28Å; S1040-L1044 WeakPolarHBondContact O-CG 3.25Å; S1040-L1044 PolarHBondContact O-N 3.23Å; S1040-Y1053 WeakPolarHBondContact CB-OH 3.41Å; S1040-Y1053 VanDerWaalsContact OG-CZ 3.27Å; S1040-Y1053 PolarHBondContact OG-OH 3.17Å |
| 1041 | F | 89.1 | Confident | 89.1 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -72.2 | -27.1 | 177.9 | -68.3 | -96.1 | 0 | 0 | 0 | 113 | V926 V929 L930 F1038 R1039 R1050 Y1053 L1054 E1058 | V926-F1041 HydrophobicContact CG2-CE1 4.38Å; V929-F1041 HydrophobicContact CG1-CB 4.23Å; V929-F1041 HydrophobicContact CG1-CD1 3.99Å; V929-F1041 HydrophobicContact CG1-CD2 3.78Å; V929-F1041 HydrophobicContact CG1-CE1 4.25Å; V929-F1041 HydrophobicContact CG1-CE2 4.03Å; V929-F1041 HydrophobicContact CG1-CG 3.74Å; V929-F1041 HydrophobicContact CG1-CZ 4.25Å; L930-F1041 HydrophobicContact CD2-CB 4.45Å; F1038-F1041 HydrophobicContact CD1-CD2 4.49Å; F1038-F1041 WeakPolarHBondContact O-CB 3.49Å; F1038-F1041 PolarHBondContact O-N 2.99Å; R1039-F1041 VanDerWaalsContact C-N 3.27Å; R1039-F1041 PolarHBondContact O-N 3.34Å; F1041-R1050 HydrophobicContact CD1-CB 4.13Å; F1041-R1050 HydrophobicContact CD1-CG 4.2Å; F1041-R1050 HydrophobicContact CE1-CB 4.45Å; F1041-R1050 PolarHBondContact O-NE 3.32Å; F1041-R1050 PolarHBondContact O-NH2 3.29Å; F1041-Y1053 HydrophobicContact CD2-CD1 4.21Å; F1041-Y1053 HydrophobicContact CD2-CE1 4.23Å; F1041-Y1053 HydrophobicContact CE1-CD1 4.46Å; F1041-Y1053 AromaticContact CE2-CD1 3.66Å; F1041-Y1053 HydrophobicContact CE2-CD1 3.66Å; F1041-Y1053 AromaticContact CE2-CE1 3.74Å; F1041-Y1053 HydrophobicContact CE2-CE1 3.74Å; F1041-Y1053 AromaticContact CZ-CD1 3.8Å; F1041-Y1053 HydrophobicContact CZ-CD1 3.8Å; F1041-Y1053 HydrophobicContact CZ-CE1 4.32Å; F1041-L1054 HydrophobicContact CE1-CB 3.95Å; F1041-L1054 HydrophobicContact CE1-CD1 4.04Å; F1041-L1054 HydrophobicContact CE1-CG 4.5Å; F1041-L1054 HydrophobicContact CZ-CB 3.84Å; F1041-L1054 HydrophobicContact CZ-CD1 4.04Å; F1041-L1054 HydrophobicContact CZ-CG 4.22Å; F1041-E1058 HydrophobicContact CE2-CB 4.46Å; F1041-E1058 HydrophobicContact CE2-CG 4.37Å; F1041-E1058 HydrophobicContact CZ-CB 4.28Å; F1041-E1058 HydrophobicContact CZ-CG 4.36Å |
| 1042 | E | 88.2 | Confident | 88.9 | Confident | 56 Ų | 56 | 57.3 Ų | 57.3 | 26% | 0.262 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -66 | -45.7 | 170.2 | -171.1 | -172.6 | 160.3 | 0 | 0 | 110.9 | T956 C957 F1038 R1039 S1040 | T956-E1042 WeakPolarHBondContact CB-OE1 3.5Å; T956-E1042 WeakPolarHBondContact CG2-OE1 3.4Å; C957-E1042 VanDerWaalsContact CB-OE2 3.29Å; C957-E1042 WeakPolarHBondContact CB-OE2 3.34Å; C957-E1042 PolarHBondContact N-OE2 3.13Å; C957-E1042 PolarHBondContact SG-OE2 3.45Å; F1038-E1042 PolarHBondContact O-N 3.27Å; R1039-E1042 VanDerWaalsContact O-CB 3.31Å; R1039-E1042 WeakPolarHBondContact O-CB 3.33Å; R1039-E1042 PolarHBondContact O-N 3.14Å; R1039-E1042 VanDerWaalsContact O-N 3.15Å; S1040-E1042 VanDerWaalsContact C-N 3.33Å; S1040-E1042 PolarHBondContact O-N 3.16Å |
| 1043 | L | 89.6 | Confident | 88.6 | Confident | 111 Ų | 111 | 59.9 Ų | 59.9 | 58% | 0.581 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -71.7 | -40.1 | -177.8 | -64 | 174.4 | 0 | 0 | 0 | 113.2 | R1039 S1040 R1045 | R1039-L1043 HydrophobicContact CG-CD1 4.5Å; R1039-L1043 WeakPolarHBondContact O-CG 3.31Å; R1039-L1043 PolarHBondContact O-N 3.06Å; S1040-L1043 PolarHBondContact O-N 3.45Å; L1043-R1045 PolarHBondContact O-N 3.49Å |
| 1044 | L | 89.6 | Confident | 88.4 | Confident | 50 Ų | 50 | 57 Ų | 57 | 26% | 0.262 | 27% | 0.271 | S | S | . | . | trans | -71.6 | 120.1 | 178 | -66.6 | 172.7 | 0 | 0 | 0 | 109.8 | S1040 D1049 R1050 Y1053 | S1040-L1044 WeakPolarHBondContact O-CB 3.28Å; S1040-L1044 WeakPolarHBondContact O-CG 3.25Å; S1040-L1044 PolarHBondContact O-N 3.23Å; L1044-D1049 HydrophobicContact CB-CB 4.46Å; L1044-D1049 HydrophobicContact CD2-CB 4.01Å; L1044-R1050 HydrophobicContact CB-CG 3.83Å; L1044-R1050 PolarHBondContact O-NE 3.21Å; L1044-R1050 PolarHBondContact O-NH2 3.07Å; L1044-Y1053 HydrophobicContact CD1-CD2 4.21Å; L1044-Y1053 HydrophobicContact CD1-CG 3.87Å | ||
| 1045 | R | 82 | Confident | 88.3 | Confident | 230 Ų | 230 | 56.2 Ų | 56.2 | 87% | 0.868 | 27% | 0.268 | S | S | * | . | trans | -91.6 | -34 | -178.1 | -64.2 | -173.9 | -179 | -176.1 | -0 | 113.3 | L1043 | L1043-R1045 PolarHBondContact O-N 3.49Š| ||
| 1046 | G | 83.1 | Confident | 88 | Confident | 27 Ų | 27 | 58 Ų | 58 | 28% | 0.278 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -75.7 | 135 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | R1048 D1049 R1050 | G1046-R1048 PolarHBondContact O-N 2.89Å; G1046-D1049 PolarHBondContact O-N 3.14Å; G1046-R1050 WeakPolarHBondContact O-CG 3.46Å; G1046-R1050 PolarHBondContact O-N 3.25Å; G1046-R1050 VanDerWaalsContact O-N 3.13Å |
| 1047 | G | 80.7 | Confident | 87.8 | Confident | 37 Ų | 37 | 62.7 Ų | 62.7 | 38% | 0.381 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -58.1 | -38.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | V1051 | G1047-V1051 VanDerWaalsContact O-CG2 3.32Å; G1047-V1051 WeakPolarHBondContact O-CG2 3.29Å; G1047-V1051 PolarHBondContact O-N 3.28Å; G1047-V1051 VanDerWaalsContact O-N 3.08Å |
| 1048 | R | 83.4 | Confident | 87.8 | Confident | 175 Ų | 175 | 59.8 Ų | 59.8 | 66% | 0.66 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -61.7 | -50.2 | 174.9 | -178.3 | 178.6 | 172.8 | 176.4 | -1.9 | 112.5 | G1046 R1050 V1051 E1052 | G1046-R1048 PolarHBondContact O-N 2.89Å; R1048-R1050 VanDerWaalsContact C-N 3.29Å; R1048-R1050 PolarHBondContact O-N 2.97Å; R1048-V1051 WeakPolarHBondContact O-CB 3.49Å; R1048-V1051 PolarHBondContact O-N 3.17Å; R1048-V1051 VanDerWaalsContact O-N 3.1Å; R1048-E1052 HydrophobicContact CG-CG 4.44Å; R1048-E1052 WeakPolarHBondContact CG-OE1 3.42Å; R1048-E1052 IonicContact CZ-OE1 3.55Å; R1048-E1052 IonicContact NE-OE1 2.79Å; R1048-E1052 PolarHBondContact NE-OE1 3.1Å; R1048-E1052 IonicContact NH2-OE1 3.98Å; R1048-E1052 PolarHBondContact NH2-OE1 3.17Å; R1048-E1052 WeakPolarHBondContact O-CG 3.47Å; R1048-E1052 PolarHBondContact O-N 3.03Å |
| 1049 | D | 88.4 | Confident | 87.9 | Confident | 75 Ų | 75 | 59.8 Ų | 59.8 | 40% | 0.401 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -63 | -38.4 | -177.9 | -50.5 | -32.6 | 0 | 0 | 0 | 111.5 | L1044 G1046 E1052 Y1053 | L1044-D1049 HydrophobicContact CB-CB 4.46Å; L1044-D1049 HydrophobicContact CD2-CB 4.01Å; G1046-D1049 PolarHBondContact O-N 3.14Å; D1049-E1052 PolarHBondContact O-N 2.98Å; D1049-Y1053 WeakPolarHBondContact O-CB 3.35Å; D1049-Y1053 PolarHBondContact O-N 3.41Å |
| 1050 | R | 90 | Very high | 88 | Confident | 51 Ų | 51 | 58.3 Ų | 58.3 | 19% | 0.192 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62 | -43.9 | 173.7 | -72.2 | 177.8 | 177.1 | 160 | 4.1 | 111.8 | V926 F1041 L1044 G1046 R1048 L1054 | V926-R1050 HydrophobicContact CG1-CB 3.99Å; V926-R1050 HydrophobicContact CG2-CB 4.06Å; F1041-R1050 HydrophobicContact CD1-CB 4.13Å; F1041-R1050 HydrophobicContact CD1-CG 4.2Å; F1041-R1050 HydrophobicContact CE1-CB 4.45Å; F1041-R1050 PolarHBondContact O-NE 3.32Å; F1041-R1050 PolarHBondContact O-NH2 3.29Å; L1044-R1050 HydrophobicContact CB-CG 3.83Å; L1044-R1050 PolarHBondContact O-NE 3.21Å; L1044-R1050 PolarHBondContact O-NH2 3.07Å; G1046-R1050 WeakPolarHBondContact O-CG 3.46Å; G1046-R1050 PolarHBondContact O-N 3.25Å; G1046-R1050 VanDerWaalsContact O-N 3.13Å; R1048-R1050 VanDerWaalsContact C-N 3.29Å; R1048-R1050 PolarHBondContact O-N 2.97Å; R1050-L1054 VanDerWaalsContact O-CB 3.32Å; R1050-L1054 WeakPolarHBondContact O-CB 3.38Å; R1050-L1054 PolarHBondContact O-N 3.37Å |
| 1051 | V | 86.4 | Confident | 88.3 | Confident | 7 Ų | 7 | 56.8 Ų | 56.8 | 4% | 0.042 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.2 | -46.7 | 176.4 | 163.4 | 0 | 0 | 0 | 0 | 110.9 | K922 Y923 V926 G1047 R1048 L1054 V1055 | K922-V1051 HydrophobicContact CB-CB 4.49Å; K922-V1051 HydrophobicContact CB-CG1 3.71Å; K922-V1051 HydrophobicContact CB-CG2 3.99Å; K922-V1051 HydrophobicContact CD-CG1 3.5Å; K922-V1051 HydrophobicContact CG-CG1 4.04Å; Y923-V1051 HydrophobicContact CD1-CG2 3.99Å; Y923-V1051 HydrophobicContact CE1-CG2 3.91Å; V926-V1051 HydrophobicContact CG2-CG2 3.9Å; G1047-V1051 VanDerWaalsContact O-CG2 3.32Å; G1047-V1051 WeakPolarHBondContact O-CG2 3.29Å; G1047-V1051 PolarHBondContact O-N 3.28Å; G1047-V1051 VanDerWaalsContact O-N 3.08Å; R1048-V1051 WeakPolarHBondContact O-CB 3.49Å; R1048-V1051 PolarHBondContact O-N 3.17Å; R1048-V1051 VanDerWaalsContact O-N 3.1Å; V1051-L1054 PolarHBondContact O-N 2.99Å; V1051-V1055 HydrophobicContact CG1-CG2 4.41Å; V1051-V1055 WeakPolarHBondContact O-CB 3.41Å; V1051-V1055 WeakPolarHBondContact O-CG2 3.5Å; V1051-V1055 PolarHBondContact O-N 3.23Å |
| 1052 | E | 88.8 | Confident | 88.6 | Confident | 47 Ų | 47 | 56.8 Ų | 56.8 | 22% | 0.22 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.9 | -46.3 | 178.5 | -69.7 | 178.8 | -173.5 | 0 | 0 | 111 | R1048 D1049 L1054 V1055 I1056 I1079 | R1048-E1052 HydrophobicContact CG-CG 4.44Å; R1048-E1052 WeakPolarHBondContact CG-OE1 3.42Å; R1048-E1052 IonicContact CZ-OE1 3.55Å; R1048-E1052 IonicContact NE-OE1 2.79Å; R1048-E1052 PolarHBondContact NE-OE1 3.1Å; R1048-E1052 IonicContact NH2-OE1 3.98Å; R1048-E1052 PolarHBondContact NH2-OE1 3.17Å; R1048-E1052 WeakPolarHBondContact O-CG 3.47Å; R1048-E1052 PolarHBondContact O-N 3.03Å; D1049-E1052 PolarHBondContact O-N 2.98Å; E1052-L1054 VanDerWaalsContact C-N 3.33Å; E1052-L1054 PolarHBondContact O-N 2.7Å; E1052-V1055 PolarHBondContact O-N 3.15Å; E1052-I1056 HydrophobicContact CB-CD1 4.44Å; E1052-I1056 WeakPolarHBondContact O-CB 3.38Å; E1052-I1056 VanDerWaalsContact O-CD1 3.28Å; E1052-I1056 WeakPolarHBondContact O-CD1 3.4Å; E1052-I1056 WeakPolarHBondContact O-CG1 3.42Å; E1052-I1056 PolarHBondContact O-N 3.1Å; E1052-I1079 HydrophobicContact CG-CG2 4.07Å |
| 1053 | Y | 90.2 | Very high | 88.8 | Confident | 65 Ų | 65 | 54.2 Ų | 54.2 | 26% | 0.255 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -58.7 | -44.1 | 176.1 | -176.3 | -91.7 | 0 | 0 | 0 | 112.1 | S1040 F1041 L1044 D1049 V1055 I1056 R1057 | S1040-Y1053 WeakPolarHBondContact CB-OH 3.41Å; S1040-Y1053 VanDerWaalsContact OG-CZ 3.27Å; S1040-Y1053 PolarHBondContact OG-OH 3.17Å; F1041-Y1053 HydrophobicContact CD2-CD1 4.21Å; F1041-Y1053 HydrophobicContact CD2-CE1 4.23Å; F1041-Y1053 HydrophobicContact CE1-CD1 4.46Å; F1041-Y1053 AromaticContact CE2-CD1 3.66Å; F1041-Y1053 HydrophobicContact CE2-CD1 3.66Å; F1041-Y1053 AromaticContact CE2-CE1 3.74Å; F1041-Y1053 HydrophobicContact CE2-CE1 3.74Å; F1041-Y1053 AromaticContact CZ-CD1 3.8Å; F1041-Y1053 HydrophobicContact CZ-CD1 3.8Å; F1041-Y1053 HydrophobicContact CZ-CE1 4.32Å; L1044-Y1053 HydrophobicContact CD1-CD2 4.21Å; L1044-Y1053 HydrophobicContact CD1-CG 3.87Å; D1049-Y1053 WeakPolarHBondContact O-CB 3.35Å; D1049-Y1053 PolarHBondContact O-N 3.41Å; Y1053-V1055 PolarHBondContact O-N 3.16Å; Y1053-I1056 PolarHBondContact O-N 3.36Å; Y1053-R1057 HydrophobicContact CD2-CG 4.16Å; Y1053-R1057 HydrophobicContact CE1-CB 4.2Å; Y1053-R1057 HydrophobicContact CE2-CB 4.17Å; Y1053-R1057 HydrophobicContact CE2-CG 3.85Å; Y1053-R1057 WeakPolarHBondContact O-CB 3.41Å; Y1053-R1057 PolarHBondContact O-N 3.38Å |
| 1054 | L | 89.7 | Confident | 88.9 | Confident | 2 Ų | 2 | 48.9 Ų | 48.9 | 1% | 0.01 | 22% | 0.222 | C | C | . | . | I | π-helix | trans | -59.7 | -46.2 | 176.6 | -172.3 | 145.8 | 0 | 0 | 0 | 111.6 | L907 R925 V926 V929 F1041 R1050 V1051 E1052 I1056 E1058 A1059 | L907-L1054 HydrophobicContact CB-CD2 4.45Å; L907-L1054 HydrophobicContact CD1-CD2 3.8Å; L907-L1054 HydrophobicContact CD2-CD2 3.91Å; L907-L1054 HydrophobicContact CG-CD2 4.26Å; R925-L1054 HydrophobicContact CB-CD1 3.56Å; R925-L1054 HydrophobicContact CB-CD2 4.18Å; V926-L1054 HydrophobicContact CG2-CD1 4.07Å; V929-L1054 HydrophobicContact CG2-CD1 4.37Å; F1041-L1054 HydrophobicContact CE1-CB 3.95Å; F1041-L1054 HydrophobicContact CE1-CD1 4.04Å; F1041-L1054 HydrophobicContact CE1-CG 4.5Å; F1041-L1054 HydrophobicContact CZ-CB 3.84Å; F1041-L1054 HydrophobicContact CZ-CD1 4.04Å; F1041-L1054 HydrophobicContact CZ-CG 4.22Å; R1050-L1054 VanDerWaalsContact O-CB 3.32Å; R1050-L1054 WeakPolarHBondContact O-CB 3.38Å; R1050-L1054 PolarHBondContact O-N 3.37Å; V1051-L1054 PolarHBondContact O-N 2.99Å; E1052-L1054 VanDerWaalsContact C-N 3.33Å; E1052-L1054 PolarHBondContact O-N 2.7Å; L1054-I1056 VanDerWaalsContact C-N 3.29Å; L1054-I1056 PolarHBondContact O-N 3.21Å; L1054-E1058 HydrophobicContact CG-CB 4.29Å; L1054-E1058 PolarHBondContact O-N 3Å; L1054-A1059 HydrophobicContact CD2-CB 4.3Å; L1054-A1059 WeakPolarHBondContact O-CB 3.34Å; L1054-A1059 PolarHBondContact O-N 2.77Å |
| 1055 | V | 88.3 | Confident | 88.8 | Confident | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.006 | 21% | 0.214 | C | C | . | . | I | π-helix | trans | -68.9 | -23.7 | 180 | 175.5 | 0 | 0 | 0 | 0 | 112.3 | R878 L907 K922 V1051 E1052 Y1053 L1076 I1079 F1081 | R878-V1055 PolarHBondContact NH1-O 2.92Å; R878-V1055 PolarHBondContact NH2-O 3.41Å; L907-V1055 HydrophobicContact CD2-CB 4.4Å; L907-V1055 HydrophobicContact CD2-CG2 3.68Å; K922-V1055 HydrophobicContact CD-CG2 4.19Å; V1051-V1055 HydrophobicContact CG1-CG2 4.41Å; V1051-V1055 WeakPolarHBondContact O-CB 3.41Å; V1051-V1055 WeakPolarHBondContact O-CG2 3.5Å; V1051-V1055 PolarHBondContact O-N 3.23Å; E1052-V1055 PolarHBondContact O-N 3.15Å; Y1053-V1055 PolarHBondContact O-N 3.16Å; V1055-L1076 HydrophobicContact CG1-CD2 4.48Å; V1055-I1079 HydrophobicContact CB-CD1 4.33Å; V1055-I1079 HydrophobicContact CG1-CD1 3.72Å; V1055-F1081 HydrophobicContact CG1-CD2 3.95Å; V1055-F1081 HydrophobicContact CG1-CE2 4.3Å |
| 1056 | I | 88.9 | Confident | 89 | Confident | 41 Ų | 41 | 36.5 Ų | 36.5 | 21% | 0.21 | 17% | 0.174 | C | C | . | . | I | π-helix | trans | -97.8 | -38.5 | -176.8 | -62 | 159.7 | 0 | 0 | 0 | 112.5 | R878 E1052 Y1053 L1054 I1079 | R878-I1056 PolarHBondContact NH1-O 3.14Å; R878-I1056 VanDerWaalsContact NH1-O 3.15Å; E1052-I1056 HydrophobicContact CB-CD1 4.44Å; E1052-I1056 WeakPolarHBondContact O-CB 3.38Å; E1052-I1056 VanDerWaalsContact O-CD1 3.28Å; E1052-I1056 WeakPolarHBondContact O-CD1 3.4Å; E1052-I1056 WeakPolarHBondContact O-CG1 3.42Å; E1052-I1056 PolarHBondContact O-N 3.1Å; Y1053-I1056 PolarHBondContact O-N 3.36Å; L1054-I1056 VanDerWaalsContact C-N 3.29Å; L1054-I1056 PolarHBondContact O-N 3.21Å; I1056-I1079 HydrophobicContact CD1-CB 4.09Å; I1056-I1079 WeakPolarHBondContact CD1-O 3.4Å; I1056-I1079 HydrophobicContact CG1-CB 4.46Å; I1056-I1079 HydrophobicContact CG1-CD1 4.43Å; I1056-I1079 HydrophobicContact CG1-CG1 4.41Å; I1056-I1079 VanDerWaalsContact CG1-O 3.26Å; I1056-I1079 WeakPolarHBondContact CG1-O 3.26Å |
| 1057 | R | 86.7 | Confident | 88.9 | Confident | 162 Ų | 162 | 37 Ų | 37 | 61% | 0.611 | 17% | 0.172 | S | C | * | . | I | π-helix | trans | -114.3 | -47.3 | -167.9 | -66 | -64.6 | -172.8 | -153.1 | 1.1 | 113.6 | Y1053 K1060 | Y1053-R1057 HydrophobicContact CD2-CG 4.16Å; Y1053-R1057 HydrophobicContact CE1-CB 4.2Å; Y1053-R1057 HydrophobicContact CE2-CB 4.17Å; Y1053-R1057 HydrophobicContact CE2-CG 3.85Å; Y1053-R1057 WeakPolarHBondContact O-CB 3.41Å; Y1053-R1057 PolarHBondContact O-N 3.38Å; R1057-K1060 PolarHBondContact O-NZ 3.32Å |
| 1058 | E | 89 | Confident | 89 | Confident | 9 Ų | 9 | 35.8 Ų | 35.8 | 4% | 0.042 | 16% | 0.156 | C | C | . | . | I | π-helix | trans | -81.1 | -54.6 | -168.2 | -169.2 | 57.8 | -152 | 0 | 0 | 111.8 | H905 F1041 L1054 K1060 | H905-E1058 PolarHBondContact CD2-O 3.43Å; H905-E1058 IonicContact CD2-OE1 3.77Å; H905-E1058 IonicContact NE2-OE1 2.66Å; F1041-E1058 HydrophobicContact CE2-CB 4.46Å; F1041-E1058 HydrophobicContact CE2-CG 4.37Å; F1041-E1058 HydrophobicContact CZ-CB 4.28Å; F1041-E1058 HydrophobicContact CZ-CG 4.36Å; L1054-E1058 HydrophobicContact CG-CB 4.29Å; L1054-E1058 PolarHBondContact O-N 3Å; E1058-K1060 PolarHBondContact O-N 2.82Å |
| 1059 | A | 91.9 | Very high | 89.2 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 12% | 0.124 | C | C | . | . | trans | -63.3 | 128.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | R878 L907 L1054 I1062 | R878-A1059 PolarHBondContact NE-O 3.44Å; R878-A1059 PolarHBondContact NH2-O 2.98Å; L907-A1059 HydrophobicContact CB-CB 3.7Å; L907-A1059 HydrophobicContact CD2-CB 4.06Å; L1054-A1059 HydrophobicContact CD2-CB 4.3Å; L1054-A1059 WeakPolarHBondContact O-CB 3.34Å; L1054-A1059 PolarHBondContact O-N 2.77Å; A1059-I1062 HydrophobicContact CB-CD1 4.25Å; A1059-I1062 HydrophobicContact CB-CG1 3.85Å | ||
| 1060 | K | 95.3 | Very high | 88.9 | Confident | 45 Ų | 45 | 23.9 Ų | 23.9 | 20% | 0.196 | 11% | 0.106 | C | C | . | . | S | Bend | trans | -105.6 | -34.6 | 176.3 | -50.6 | -57.6 | -177.9 | -164.6 | 0 | 112.2 | Y871 R878 T879 H905 R1057 E1058 | Y871-K1060 HydrophobicContact CD2-CB 4.4Å; Y871-K1060 HydrophobicContact CE2-CB 4.47Å; Y871-K1060 HydrophobicContact CE2-CG 4.5Å; R878-K1060 CarbonylContact C-O 3.44Å; R878-K1060 WeakPolarHBondContact CA-O 3.5Å; T879-K1060 PolarHBondContact N-O 3.22Å; H905-K1060 HydrophobicContact CB-CB 3.99Å; H905-K1060 HydrophobicContact CB-CG 3.82Å; H905-K1060 PolarHBondContact O-N 2.87Å; R1057-K1060 PolarHBondContact O-NZ 3.32Å; E1058-K1060 PolarHBondContact O-N 2.82Å |
| 1061 | V | 95.9 | Very high | 88.5 | Confident | 2 Ų | 2 | 24 Ų | 24 | 1% | 0.012 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 109.4 | 174.3 | -175.3 | 0 | 0 | 0 | 0 | 108.2 | I867 T879 V881 H905 L906 L907 | I867-V1061 HydrophobicContact CG2-CG1 3.9Å; I867-V1061 HydrophobicContact CG2-CG2 3.79Å; T879-V1061 WeakPolarHBondContact O-CA 3.3Å; V881-V1061 HydrophobicContact CG2-CG1 3.9Å; H905-V1061 PolarHBondContact O-N 2.88Å; L906-V1061 HydrophobicContact CD2-CB 3.72Å; L906-V1061 HydrophobicContact CD2-CG1 4.2Å; L906-V1061 HydrophobicContact CD2-CG2 4.11Å; L907-V1061 PolarHBondContact N-O 3.49Å |
| 1062 | I | 94.1 | Very high | 88.4 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 117.8 | -175.4 | -56.4 | 92.4 | 0 | 0 | 0 | 108.1 | R878 T879 L880 V881 L907 H909 A1059 M1064 F1081 | R878-I1062 HydrophobicContact CB-CD1 4.47Å; T879-I1062 PolarHBondContact O-N 3.02Å; L880-I1062 CarbonylContact C-O 3.56Å; L880-I1062 WeakPolarHBondContact CA-O 3.39Å; L880-I1062 HydrophobicContact CD1-CB 4.45Å; L880-I1062 HydrophobicContact CD1-CG2 4.41Å; V881-I1062 PolarHBondContact N-O 3.2Å; L907-I1062 HydrophobicContact CD2-CG1 4.43Å; L907-I1062 HydrophobicContact CD2-CG2 4.19Å; L907-I1062 CarbonylContact O-C 3.45Å; L907-I1062 WeakPolarHBondContact O-CA 3.24Å; H909-I1062 HydrophobicContact CB-CG2 4.3Å; A1059-I1062 HydrophobicContact CB-CD1 4.25Å; A1059-I1062 HydrophobicContact CB-CG1 3.85Å; I1062-M1064 HydrophobicContact CG2-CE 3.86Å; I1062-F1081 HydrophobicContact CB-CZ 4.23Å; I1062-F1081 HydrophobicContact CD1-CE2 4.15Å; I1062-F1081 HydrophobicContact CD1-CZ 4.32Å; I1062-F1081 HydrophobicContact CG1-CE2 4.14Å; I1062-F1081 HydrophobicContact CG1-CZ 4.3Å; I1062-F1081 HydrophobicContact CG2-CE2 4.47Å; I1062-F1081 HydrophobicContact CG2-CZ 4.16Å |
| 1063 | A | 93.1 | Very high | 88.3 | Confident | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.008 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 129.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 111 | V881 L889 F893 L907 R908 H909 | V881-A1063 HydrophobicContact CB-CB 4.16Å; V881-A1063 CarbonylContact O-C 3.58Å; V881-A1063 WeakPolarHBondContact O-CA 3.31Å; L889-A1063 HydrophobicContact CD1-CB 3.83Å; L889-A1063 HydrophobicContact CG-CB 4.37Å; F893-A1063 HydrophobicContact CD2-CB 3.81Å; F893-A1063 HydrophobicContact CE2-CB 3.98Å; L907-A1063 PolarHBondContact O-N 3.32Å; R908-A1063 WeakPolarHBondContact CA-O 3.41Å; H909-A1063 PolarHBondContact N-O 3.04Å |
| 1064 | M | 91.1 | Very high | 88 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 167.7 | 176.9 | 61.3 | -177.9 | 72.9 | 0 | 0 | 111.9 | L880 V881 V882 T883 H909 I1062 H1068 A1069 L1076 L1105 | L880-M1064 HydrophobicContact CD1-CE 3.63Å; L880-M1064 HydrophobicContact CD1-CG 3.99Å; L880-M1064 HydrophobicContact CD1-SD 3.99Å; V881-M1064 PolarHBondContact O-N 2.96Å; V882-M1064 VanDerWaalsContact CA-O 3.28Å; V882-M1064 WeakPolarHBondContact CA-O 3.4Å; T883-M1064 PolarHBondContact N-O 2.99Å; H909-M1064 HydrophobicContact CB-CE 4.16Å; H909-M1064 VanDerWaalsContact O-CB 3.26Å; H909-M1064 WeakPolarHBondContact O-CB 3.33Å; I1062-M1064 HydrophobicContact CG2-CE 3.86Å; M1064-H1068 HydrophobicContact CB-CB 4.47Å; M1064-A1069 HydrophobicContact CG-CB 4.49Å; M1064-A1069 HydrophobicContact SD-CB 3.84Å; M1064-L1076 HydrophobicContact CE-CD1 4.13Å; M1064-L1076 HydrophobicContact SD-CD1 4.28Å; M1064-L1105 HydrophobicContact SD-CD1 4.24Å |
| 1065 | T | 88.8 | Confident | 87.7 | Confident | 16 Ų | 16 | 31.7 Ų | 31.7 | 10% | 0.098 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 157.5 | 170.8 | 59.1 | 0 | 0 | 0 | 0 | 111.4 | T883 N886 L889 T1067 H1068 A1069 | T883-T1065 CarbonylContact O-C 3.52Å; T883-T1065 VanDerWaalsContact O-CA 3.27Å; T883-T1065 WeakPolarHBondContact O-CA 3.43Å; N886-T1065 WeakPolarHBondContact OD1-CG2 3.32Å; L889-T1065 HydrophobicContact CD2-CG2 4.33Å; T1065-T1067 VanDerWaalsContact C-N 3.25Å; T1065-T1067 PolarHBondContact O-N 3.02Å; T1065-H1068 PolarHBondContact O-N 3.39Å; T1065-H1068 VanDerWaalsContact O-N 3.12Å; T1065-H1068 VanDerWaalsContact OG1-CB 3.26Å; T1065-H1068 WeakPolarHBondContact OG1-CB 3.47Å; T1065-H1068 PolarHBondContact OG1-N 3.02Å; T1065-A1069 PolarHBondContact O-N 3.45Å |
| 1066 | C | 85.2 | Confident | 87.7 | Confident | 3 Ų | 3 | 31.7 Ų | 31.7 | 2% | 0.02 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -54.8 | -42.9 | 173 | -71.3 | 0 | 0 | 0 | 0 | 112.2 | V882 T883 H1068 A1069 A1070 I1094 E1098 | V882-C1066 HydrophobicContact CG1-CB 4.24Å; V882-C1066 WeakPolarHBondContact CG1-SG 3.47Å; T883-C1066 PolarHBondContact O-N 3.27Å; C1066-H1068 VanDerWaalsContact C-N 3.33Å; C1066-H1068 PolarHBondContact O-N 2.87Å; C1066-A1069 WeakPolarHBondContact O-CB 3.09Å; C1066-A1069 PolarHBondContact O-N 3.37Å; C1066-A1070 PolarHBondContact O-N 3.24Å; C1066-A1070 VanDerWaalsContact O-N 3.14Å; C1066-I1094 HydrophobicContact CB-CG2 4.15Å; C1066-I1094 WeakPolarHBondContact SG-CD1 3.26Å; C1066-E1098 HydrophobicContact CB-CB 4.31Å |
| 1067 | T | 80.2 | Confident | 87.6 | Confident | 39 Ų | 39 | 30.6 Ų | 30.6 | 24% | 0.239 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.7 | -42.4 | 177.3 | -46.3 | 0 | 0 | 0 | 0 | 111.4 | N713 T1065 A1070 L1071 | N713-T1067 HydrophobicContact CB-CG2 3.91Å; N713-T1067 WeakPolarHBondContact ND2-CG2 3.4Å; T1065-T1067 VanDerWaalsContact C-N 3.25Å; T1065-T1067 PolarHBondContact O-N 3.02Å; T1067-A1070 PolarHBondContact O-N 3.49Å; T1067-L1071 HydrophobicContact CG2-CD1 4.03Å; T1067-L1071 VanDerWaalsContact O-CG 3.3Å; T1067-L1071 WeakPolarHBondContact O-CG 3.35Å; T1067-L1071 PolarHBondContact O-N 2.9Å |
| 1068 | H | 83.7 | Confident | 87.7 | Confident | 10 Ų | 10 | 29.6 Ų | 29.6 | 5% | 0.046 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -66.5 | -39.6 | 178 | -168.2 | 83.1 | 0 | 0 | 0 | 112.5 | H909 M1064 T1065 C1066 A1070 L1071 R1072 | H909-H1068 AromaticContact CE1-NE2 3.34Å; H909-H1068 PolarHBondContact CE1-NE2 2.98Å; H909-H1068 VanDerWaalsContact CE1-NE2 3.34Å; H909-H1068 AromaticContact CG-NE2 3.93Å; H909-H1068 AromaticContact ND1-CD2 3.75Å; H909-H1068 AromaticContact ND1-CE1 3.79Å; H909-H1068 AromaticContact ND1-NE2 2.91Å; H909-H1068 PolarHBondContact ND1-NE2 3.06Å; H909-H1068 PolarHBondContact O-CD2 3.14Å; H909-H1068 PolarHBondContact O-NE2 2.97Å; M1064-H1068 HydrophobicContact CB-CB 4.47Å; T1065-H1068 PolarHBondContact O-N 3.39Å; T1065-H1068 VanDerWaalsContact O-N 3.12Å; T1065-H1068 VanDerWaalsContact OG1-CB 3.26Å; T1065-H1068 WeakPolarHBondContact OG1-CB 3.47Å; T1065-H1068 PolarHBondContact OG1-N 3.02Å; C1066-H1068 VanDerWaalsContact C-N 3.33Å; C1066-H1068 PolarHBondContact O-N 2.87Å; H1068-A1070 VanDerWaalsContact C-N 3.29Å; H1068-A1070 PolarHBondContact O-N 2.98Å; H1068-L1071 PolarHBondContact O-N 2.83Å; H1068-R1072 WeakPolarHBondContact NE2-CG 3.47Å; H1068-R1072 PolarHBondContact O-N 3Å |
| 1069 | A | 87.5 | Confident | 87.6 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -57.4 | -42.1 | 174 | 0 | 0 | 0 | 0 | 0 | 111.9 | M1064 T1065 C1066 R1073 P1102 L1105 | M1064-A1069 HydrophobicContact CG-CB 4.49Å; M1064-A1069 HydrophobicContact SD-CB 3.84Å; T1065-A1069 PolarHBondContact O-N 3.45Å; C1066-A1069 WeakPolarHBondContact O-CB 3.09Å; C1066-A1069 PolarHBondContact O-N 3.37Å; A1069-R1073 PolarHBondContact O-N 3.35Å; A1069-P1102 HydrophobicContact CB-CG 4.11Å; A1069-L1105 HydrophobicContact CB-CD1 3.94Å; A1069-L1105 HydrophobicContact CB-CD2 4.36Å; A1069-L1105 WeakPolarHBondContact O-CD2 3.45Å |
| 1070 | A | 82.8 | Confident | 87.4 | Confident | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.008 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -69.4 | -45.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | V717 T720 C1066 T1067 H1068 R1072 I1101 | V717-A1070 HydrophobicContact CG2-CB 3.87Å; T720-A1070 PolarHBondContact OG1-O 2.93Å; T720-A1070 VanDerWaalsContact OG1-O 3.06Å; C1066-A1070 PolarHBondContact O-N 3.24Å; C1066-A1070 VanDerWaalsContact O-N 3.14Å; T1067-A1070 PolarHBondContact O-N 3.49Å; H1068-A1070 VanDerWaalsContact C-N 3.29Å; H1068-A1070 PolarHBondContact O-N 2.98Å; A1070-R1072 VanDerWaalsContact C-N 3.32Å; A1070-R1072 PolarHBondContact O-N 3.2Å; A1070-I1101 HydrophobicContact CB-CD1 3.89Å; A1070-I1101 HydrophobicContact CB-CG2 4.28Å |
| 1071 | L | 81.6 | Confident | 87.1 | Confident | 54 Ų | 54 | 30.1 Ų | 30.1 | 28% | 0.283 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -59.7 | -40.6 | -179.9 | -75.6 | 164 | 0 | 0 | 0 | 112.9 | N713 A716 T1067 H1068 | N713-L1071 HydrophobicContact CB-CD1 4.41Å; N713-L1071 HydrophobicContact CB-CD2 4.03Å; N713-L1071 HydrophobicContact CB-CG 4.38Å; A716-L1071 HydrophobicContact CB-CD2 3.47Å; A716-L1071 VanDerWaalsContact CB-CD2 3.47Å; A716-L1071 HydrophobicContact CB-CG 4.41Å; T1067-L1071 HydrophobicContact CG2-CD1 4.03Å; T1067-L1071 VanDerWaalsContact O-CG 3.3Å; T1067-L1071 WeakPolarHBondContact O-CG 3.35Å; T1067-L1071 PolarHBondContact O-N 2.9Å; H1068-L1071 PolarHBondContact O-N 2.83Å |
| 1072 | R | 82.8 | Confident | 86.9 | Confident | 83 Ų | 83 | 31.3 Ų | 31.3 | 31% | 0.313 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.4 | 8.6 | -173.3 | -58 | -57.5 | -179 | 161 | -10 | 114.1 | E911 H1068 A1070 K1074 E1075 L1076 | E911-R1072 IonicContact OE1-NH2 3.98Å; E911-R1072 PolarHBondContact OE1-NH2 3.45Å; H1068-R1072 WeakPolarHBondContact NE2-CG 3.47Å; H1068-R1072 PolarHBondContact O-N 3Å; A1070-R1072 VanDerWaalsContact C-N 3.32Å; A1070-R1072 PolarHBondContact O-N 3.2Å; R1072-K1074 VanDerWaalsContact C-N 3.31Å; R1072-K1074 PolarHBondContact O-N 3.23Å; R1072-E1075 WeakPolarHBondContact CD-OE2 3.45Å; R1072-E1075 IonicContact NH1-OE2 3.46Å; R1072-E1075 PolarHBondContact NH1-OE2 3.48Å; R1072-E1075 WeakPolarHBondContact O-CB 3.29Å; R1072-E1075 PolarHBondContact O-N 2.78Å; R1072-E1075 VanDerWaalsContact O-N 3.1Å; R1072-L1076 HydrophobicContact CB-CD1 4.41Å; R1072-L1076 HydrophobicContact CB-CG 4.39Å; R1072-L1076 WeakPolarHBondContact O-CG 3.42Å; R1072-L1076 PolarHBondContact O-N 2.69Å |
| 1073 | R | 86.6 | Confident | 87 | Confident | 23 Ų | 23 | 31.3 Ų | 31.3 | 9% | 0.087 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -50.9 | -49 | -177.6 | 179.8 | 179.8 | -178.5 | -84 | -10.1 | 112.7 | T720 L724 A1069 E1075 L1076 V1077 L1104 L1105 | T720-R1073 HydrophobicContact CG2-CB 4.45Å; T720-R1073 VanDerWaalsContact CG2-CD 3.43Å; L724-R1073 VanDerWaalsContact CD2-CZ 3.42Å; L724-R1073 VanDerWaalsContact CD2-NH2 3.32Å; A1069-R1073 PolarHBondContact O-N 3.35Å; R1073-E1075 VanDerWaalsContact C-N 3.33Å; R1073-E1075 PolarHBondContact O-N 3.36Å; R1073-L1076 PolarHBondContact O-N 3.12Å; R1073-V1077 HydrophobicContact CG-CG2 4.16Å; R1073-V1077 WeakPolarHBondContact O-CB 3.32Å; R1073-V1077 WeakPolarHBondContact O-CG2 3.3Å; R1073-V1077 PolarHBondContact O-N 3.39Å; R1073-L1104 PolarHBondContact NE-O 2.79Å; R1073-L1104 PolarHBondContact NH2-O 3.32Å; R1073-L1105 HydrophobicContact CB-CD2 3.86Å; R1073-L1105 HydrophobicContact CG-CD2 3.8Å |
| 1074 | K | 84.1 | Confident | 87.1 | Confident | 122 Ų | 122 | 31.3 Ų | 31.3 | 53% | 0.53 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -60.1 | -43.2 | -178.1 | -173.1 | 178.4 | -180 | -180 | 0 | 111.7 | R1072 Q1078 | R1072-K1074 VanDerWaalsContact C-N 3.31Å; R1072-K1074 PolarHBondContact O-N 3.23Å; K1074-Q1078 WeakPolarHBondContact O-CB 3.49Å; K1074-Q1078 WeakPolarHBondContact O-CG 3.45Å; K1074-Q1078 PolarHBondContact O-N 3.14Å |
| 1075 | E | 84.5 | Confident | 87.4 | Confident | 54 Ų | 54 | 31.4 Ų | 31.4 | 25% | 0.252 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -63.2 | -49 | 175.9 | -175.4 | -175.6 | 151.8 | 0 | 0 | 110.6 | K922 R1072 R1073 V1077 Q1078 I1079 | K922-E1075 IonicContact NZ-OE1 3.26Å; K922-E1075 PolarHBondContact NZ-OE1 3.14Å; R1072-E1075 WeakPolarHBondContact CD-OE2 3.45Å; R1072-E1075 IonicContact NH1-OE2 3.46Å; R1072-E1075 PolarHBondContact NH1-OE2 3.48Å; R1072-E1075 WeakPolarHBondContact O-CB 3.29Å; R1072-E1075 PolarHBondContact O-N 2.78Å; R1072-E1075 VanDerWaalsContact O-N 3.1Å; R1073-E1075 VanDerWaalsContact C-N 3.33Å; R1073-E1075 PolarHBondContact O-N 3.36Å; E1075-V1077 PolarHBondContact O-N 2.89Å; E1075-Q1078 PolarHBondContact O-N 3.34Å; E1075-I1079 WeakPolarHBondContact O-CG1 2.86Å; E1075-I1079 WeakPolarHBondContact O-CG2 3.36Å; E1075-I1079 PolarHBondContact O-N 2.91Å |
| 1076 | L | 88.4 | Confident | 87.9 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -61.7 | -42.4 | -179.5 | -68.4 | 173.9 | 0 | 0 | 0 | 112.7 | V1055 M1064 R1072 R1073 I1079 A1080 F1081 L1105 | V1055-L1076 HydrophobicContact CG1-CD2 4.48Å; M1064-L1076 HydrophobicContact CE-CD1 4.13Å; M1064-L1076 HydrophobicContact SD-CD1 4.28Å; R1072-L1076 HydrophobicContact CB-CD1 4.41Å; R1072-L1076 HydrophobicContact CB-CG 4.39Å; R1072-L1076 WeakPolarHBondContact O-CG 3.42Å; R1072-L1076 PolarHBondContact O-N 2.69Å; R1073-L1076 PolarHBondContact O-N 3.12Å; L1076-I1079 HydrophobicContact CD2-CD1 4.26Å; L1076-I1079 VanDerWaalsContact O-CG1 3.29Å; L1076-I1079 WeakPolarHBondContact O-CG1 3.36Å; L1076-A1080 PolarHBondContact O-N 3.34Å; L1076-F1081 HydrophobicContact CB-CB 4.09Å; L1076-F1081 HydrophobicContact CB-CD1 4.3Å; L1076-F1081 HydrophobicContact CB-CG 4.5Å; L1076-F1081 HydrophobicContact CD1-CD1 4.46Å; L1076-F1081 HydrophobicContact CD2-CB 4.26Å; L1076-F1081 HydrophobicContact CD2-CD1 4.16Å; L1076-F1081 HydrophobicContact CD2-CG 4.11Å; L1076-F1081 WeakPolarHBondContact O-CB 3.47Å; L1076-F1081 PolarHBondContact O-N 2.92Å; L1076-L1105 HydrophobicContact CD1-CD1 4.04Å; L1076-L1105 HydrophobicContact CD1-CD2 4.39Å |
| 1077 | V | 87.1 | Confident | 88.5 | Confident | 19 Ų | 19 | 30.5 Ų | 30.5 | 12% | 0.115 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -63.6 | -47.1 | 175.2 | 162.8 | 0 | 0 | 0 | 0 | 110.7 | R1073 E1075 I1079 A1080 L1105 E1107 | R1073-V1077 HydrophobicContact CG-CG2 4.16Å; R1073-V1077 WeakPolarHBondContact O-CB 3.32Å; R1073-V1077 WeakPolarHBondContact O-CG2 3.3Å; R1073-V1077 PolarHBondContact O-N 3.39Å; E1075-V1077 PolarHBondContact O-N 2.89Å; V1077-I1079 VanDerWaalsContact C-N 3.33Å; V1077-I1079 PolarHBondContact O-N 3.35Å; V1077-A1080 PolarHBondContact O-N 2.91Å; V1077-L1105 WeakPolarHBondContact CG2-O 3.44Å; V1077-E1107 HydrophobicContact CG1-CG 3.73Å; V1077-E1107 WeakPolarHBondContact CG1-OE1 3.43Å |
| 1078 | Q | 87.1 | Confident | 89.3 | Confident | 140 Ų | 140 | 28.7 Ų | 28.7 | 65% | 0.654 | 14% | 0.139 | S | C | * | . | H | α-helix | trans | -61.5 | -38 | -179.5 | -78.2 | 174.2 | -10.1 | 0 | 0 | 113.3 | K1074 E1075 A1080 | K1074-Q1078 WeakPolarHBondContact O-CB 3.49Å; K1074-Q1078 WeakPolarHBondContact O-CG 3.45Å; K1074-Q1078 PolarHBondContact O-N 3.14Å; E1075-Q1078 PolarHBondContact O-N 3.34Å; Q1078-A1080 PolarHBondContact O-N 3.41Å |
| 1079 | I | 88.6 | Confident | 89.7 | Confident | 19 Ų | 19 | 28.5 Ų | 28.5 | 10% | 0.097 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | 7.7 | 176.6 | 70.6 | 173.9 | 0 | 0 | 0 | 112.6 | E1052 V1055 I1056 E1075 L1076 V1077 F1081 | E1052-I1079 HydrophobicContact CG-CG2 4.07Å; V1055-I1079 HydrophobicContact CB-CD1 4.33Å; V1055-I1079 HydrophobicContact CG1-CD1 3.72Å; I1056-I1079 HydrophobicContact CD1-CB 4.09Å; I1056-I1079 WeakPolarHBondContact CD1-O 3.4Å; I1056-I1079 HydrophobicContact CG1-CB 4.46Å; I1056-I1079 HydrophobicContact CG1-CD1 4.43Å; I1056-I1079 HydrophobicContact CG1-CG1 4.41Å; I1056-I1079 VanDerWaalsContact CG1-O 3.26Å; I1056-I1079 WeakPolarHBondContact CG1-O 3.26Å; E1075-I1079 WeakPolarHBondContact O-CG1 2.86Å; E1075-I1079 WeakPolarHBondContact O-CG2 3.36Å; E1075-I1079 PolarHBondContact O-N 2.91Å; L1076-I1079 HydrophobicContact CD2-CD1 4.26Å; L1076-I1079 VanDerWaalsContact O-CG1 3.29Å; L1076-I1079 WeakPolarHBondContact O-CG1 3.36Å; V1077-I1079 VanDerWaalsContact C-N 3.33Å; V1077-I1079 PolarHBondContact O-N 3.35Å; I1079-F1081 HydrophobicContact CG1-CB 4.25Å; I1079-F1081 PolarHBondContact O-N 3.49Å |
| 1080 | A | 87 | Confident | 90 | Very high | 46 Ų | 46 | 29.5 Ų | 29.5 | 38% | 0.38 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.3 | 47.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L1076 V1077 Q1078 H1082 | L1076-A1080 PolarHBondContact O-N 3.34Å; V1077-A1080 PolarHBondContact O-N 2.91Å; Q1078-A1080 PolarHBondContact O-N 3.41Å; A1080-H1082 PolarHBondContact O-CE1 3.1Å; A1080-H1082 PolarHBondContact O-N 2.91Å; A1080-H1082 PolarHBondContact O-ND1 3.43Å |
| 1081 | F | 89.7 | Confident | 90.6 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 14% | 0.142 | C | C | . | . | trans | -68.2 | 121 | 173.1 | -179.2 | -116.3 | 0 | 0 | 0 | 110.5 | L880 V1055 I1062 L1076 I1079 Y1083 L1105 Q1106 | L880-F1081 HydrophobicContact CD1-CE1 4.27Å; L880-F1081 HydrophobicContact CD1-CZ 4.26Å; V1055-F1081 HydrophobicContact CG1-CD2 3.95Å; V1055-F1081 HydrophobicContact CG1-CE2 4.3Å; I1062-F1081 HydrophobicContact CB-CZ 4.23Å; I1062-F1081 HydrophobicContact CD1-CE2 4.15Å; I1062-F1081 HydrophobicContact CD1-CZ 4.32Å; I1062-F1081 HydrophobicContact CG1-CE2 4.14Å; I1062-F1081 HydrophobicContact CG1-CZ 4.3Å; I1062-F1081 HydrophobicContact CG2-CE2 4.47Å; I1062-F1081 HydrophobicContact CG2-CZ 4.16Å; L1076-F1081 HydrophobicContact CB-CB 4.09Å; L1076-F1081 HydrophobicContact CB-CD1 4.3Å; L1076-F1081 HydrophobicContact CB-CG 4.5Å; L1076-F1081 HydrophobicContact CD1-CD1 4.46Å; L1076-F1081 HydrophobicContact CD2-CB 4.26Å; L1076-F1081 HydrophobicContact CD2-CD1 4.16Å; L1076-F1081 HydrophobicContact CD2-CG 4.11Å; L1076-F1081 WeakPolarHBondContact O-CB 3.47Å; L1076-F1081 PolarHBondContact O-N 2.92Å; I1079-F1081 HydrophobicContact CG1-CB 4.25Å; I1079-F1081 PolarHBondContact O-N 3.49Å; F1081-Y1083 AromaticContact CD1-CD1 3.81Å; F1081-Y1083 HydrophobicContact CD1-CD1 3.81Å; F1081-Y1083 AromaticContact CD1-CE1 3.88Å; F1081-Y1083 HydrophobicContact CD1-CE1 3.88Å; F1081-Y1083 AromaticContact CE1-CD1 3.41Å; F1081-Y1083 HydrophobicContact CE1-CD1 3.41Å; F1081-Y1083 VanDerWaalsContact CE1-CD1 3.41Å; F1081-Y1083 AromaticContact CE1-CE1 3.71Å; F1081-Y1083 HydrophobicContact CE1-CE1 3.71Å; F1081-Y1083 HydrophobicContact CE1-CG 4.46Å; F1081-Y1083 AromaticContact CZ-CD1 3.98Å; F1081-Y1083 HydrophobicContact CZ-CD1 3.98Å; F1081-L1105 HydrophobicContact CD1-CB 4.45Å; F1081-Q1106 WeakPolarHBondContact O-CA 3.39Å; F1081-Q1106 WeakPolarHBondContact O-CB 3.46Å | ||
| 1082 | H | 91.8 | Very high | 91.2 | Very high | 27 Ų | 27 | 27 Ų | 27 | 13% | 0.125 | 13% | 0.13 | C | C | . | . | trans | -128.5 | 146.4 | -179.4 | -66.7 | 83.9 | 0 | 0 | 0 | 111.3 | R878 A1080 | R878-H1082 WeakPolarHBondContact CD-O 3.39Å; R878-H1082 PolarHBondContact NH1-O 3.26Å; A1080-H1082 PolarHBondContact O-CE1 3.1Å; A1080-H1082 PolarHBondContact O-N 2.91Å; A1080-H1082 PolarHBondContact O-ND1 3.43Å | ||
| 1083 | Y | 94.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 12% | 0.121 | C | C | . | . | trans | -150.1 | 156.8 | 179.2 | 49.4 | -83.6 | 0 | 0 | 0 | 111.3 | L880 F1081 V1086 P1102 L1105 Q1106 L1115 | L880-Y1083 HydrophobicContact CB-CD2 4Å; L880-Y1083 HydrophobicContact CB-CG 4Å; L880-Y1083 HydrophobicContact CD2-CD1 4.32Å; L880-Y1083 HydrophobicContact CD2-CD2 4.24Å; L880-Y1083 HydrophobicContact CD2-CE1 4.11Å; L880-Y1083 HydrophobicContact CD2-CE2 3.97Å; L880-Y1083 HydrophobicContact CD2-CG 4.41Å; F1081-Y1083 AromaticContact CD1-CD1 3.81Å; F1081-Y1083 HydrophobicContact CD1-CD1 3.81Å; F1081-Y1083 AromaticContact CD1-CE1 3.88Å; F1081-Y1083 HydrophobicContact CD1-CE1 3.88Å; F1081-Y1083 AromaticContact CE1-CD1 3.41Å; F1081-Y1083 HydrophobicContact CE1-CD1 3.41Å; F1081-Y1083 VanDerWaalsContact CE1-CD1 3.41Å; F1081-Y1083 AromaticContact CE1-CE1 3.71Å; F1081-Y1083 HydrophobicContact CE1-CE1 3.71Å; F1081-Y1083 HydrophobicContact CE1-CG 4.46Å; F1081-Y1083 AromaticContact CZ-CD1 3.98Å; F1081-Y1083 HydrophobicContact CZ-CD1 3.98Å; Y1083-V1086 HydrophobicContact CD2-CG2 3.54Å; Y1083-V1086 HydrophobicContact CE2-CG2 3.27Å; Y1083-P1102 VanDerWaalsContact CZ-O 3.3Å; Y1083-P1102 PolarHBondContact OH-O 3.27Å; Y1083-L1105 HydrophobicContact CE1-CB 3.95Å; Y1083-L1105 PolarHBondContact OH-N 3.08Å; Y1083-Q1106 HydrophobicContact CE1-CB 4.06Å; Y1083-Q1106 HydrophobicContact CE1-CG 4.18Å; Y1083-Q1106 VanDerWaalsContact N-OE1 3.13Å; Y1083-Q1106 PolarHBondContact O-NE2 2.67Å; Y1083-Q1106 PolarHBondContact O-OE1 3.22Å; Y1083-Q1106 VanDerWaalsContact O-OE1 3.14Å; Y1083-L1115 HydrophobicContact CD2-CD1 4.31Å; Y1083-L1115 HydrophobicContact CE2-CD1 4.27Å | ||
| 1084 | D | 96 | Very high | 92 | Very high | 2 Ų | 2 | 23.3 Ų | 23.3 | 1% | 0.011 | 12% | 0.117 | C | C | . | . | S | Bend | trans | -105.2 | -30.2 | -174.7 | -61.4 | -85.5 | 0 | 0 | 0 | 111.7 | Q877 R878 R1114 K1116 R1117 | Q877-D1084 WeakPolarHBondContact CA-OD2 3.41Å; Q877-D1084 HydrophobicContact CB-CB 3.92Å; Q877-D1084 HydrophobicContact CG-CB 3.9Å; R878-D1084 PolarHBondContact N-OD2 3.27Å; R878-D1084 VanDerWaalsContact N-OD2 3.16Å; R878-D1084 PolarHBondContact O-N 3.35Å; D1084-R1114 VanDerWaalsContact CG-NE 3.28Å; D1084-R1114 WeakPolarHBondContact OD1-CG 3.29Å; D1084-R1114 IonicContact OD1-CZ 3.85Å; D1084-R1114 IonicContact OD1-NE 2.71Å; D1084-R1114 PolarHBondContact OD1-NE 3.39Å; D1084-R1114 IonicContact OD1-NH2 3.51Å; D1084-R1114 PolarHBondContact OD1-NH2 2.98Å; D1084-R1114 IonicContact OD2-CZ 3.6Å; D1084-R1114 IonicContact OD2-NE 3.76Å; D1084-R1114 PolarHBondContact OD2-NE 3.15Å; D1084-R1114 VanDerWaalsContact OD2-NE 3.16Å; D1084-R1114 IonicContact OD2-NH2 3.12Å; D1084-R1114 PolarHBondContact OD2-NH2 3.32Å; D1084-K1116 HydrophobicContact CB-CD 4.4Å; D1084-K1116 HydrophobicContact CB-CG 4.44Å; D1084-K1116 PolarHBondContact O-N 3.4Å; D1084-K1116 WeakPolarHBondContact OD1-CE 3.47Å; D1084-K1116 IonicContact OD1-NZ 3.47Å; D1084-R1117 PolarHBondContact O-N 2.69Å |
| 1085 | N | 97.8 | Very high | 92.5 | Very high | 1 Ų | 1 | 18.4 Ų | 18.4 | 1% | 0.005 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 137.5 | -175.8 | -45.9 | -56.7 | 0 | 0 | 0 | 110 | L870 R878 T879 L880 R1117 | L870-N1085 HydrophobicContact CD1-CB 4.12Å; R878-N1085 PolarHBondContact O-N 3.15Å; R878-N1085 VanDerWaalsContact O-N 3.09Å; T879-N1085 WeakPolarHBondContact CA-O 3.42Å; T879-N1085 HydrophobicContact CG2-CB 4.2Å; T879-N1085 PolarHBondContact OG1-ND2 3.49Å; L880-N1085 PolarHBondContact N-O 3.49Å; N1085-R1117 WeakPolarHBondContact CA-O 3.41Å; N1085-R1117 HydrophobicContact CB-CB 4.22Å; N1085-R1117 WeakPolarHBondContact OD1-CB 3.25Å; N1085-R1117 WeakPolarHBondContact OD1-CD 3.45Å; N1085-R1117 WeakPolarHBondContact OD1-CG 3.36Å; N1085-R1117 PolarHBondContact OD1-NH1 3.19Å |
| 1086 | V | 97.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 122.2 | 170.4 | 177 | 0 | 0 | 0 | 0 | 108.6 | L880 V882 Y1083 M1088 L1103 L1115 R1117 W1118 I1119 | L880-V1086 HydrophobicContact CB-CG2 4.34Å; L880-V1086 HydrophobicContact CD2-CG2 4.3Å; L880-V1086 CarbonylContact O-C 3.58Å; L880-V1086 WeakPolarHBondContact O-CA 3.34Å; V882-V1086 HydrophobicContact CG2-CG1 4.49Å; Y1083-V1086 HydrophobicContact CD2-CG2 3.54Å; Y1083-V1086 HydrophobicContact CE2-CG2 3.27Å; V1086-M1088 HydrophobicContact CG1-CE 3.54Å; V1086-M1088 HydrophobicContact CG1-CG 3.96Å; V1086-L1103 HydrophobicContact CG2-CD2 4.49Å; V1086-L1115 HydrophobicContact CB-CD1 4.25Å; V1086-L1115 HydrophobicContact CG2-CD1 3.59Å; V1086-R1117 PolarHBondContact N-O 3.17Å; V1086-W1118 WeakPolarHBondContact O-CA 3.29Å; V1086-I1119 PolarHBondContact O-N 3.43Å |
| 1087 | L | 98.2 | Very high | 93.1 | Very high | 1 Ų | 1 | 16 Ų | 16 | 1% | 0.005 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 127.1 | 172.1 | -176.9 | 147.8 | 0 | 0 | 0 | 109.2 | A863 I866 I867 L880 V881 V882 L892 I1119 I1121 | A863-L1087 HydrophobicContact CB-CD1 4.08Å; A863-L1087 HydrophobicContact CB-CD2 4.1Å; I866-L1087 HydrophobicContact CB-CD1 4.45Å; I866-L1087 HydrophobicContact CG2-CD1 4.29Å; I867-L1087 HydrophobicContact CD1-CD1 4.27Å; I867-L1087 HydrophobicContact CG1-CD1 4.07Å; L880-L1087 PolarHBondContact O-N 2.96Å; V881-L1087 CarbonylContact C-O 3.53Å; V881-L1087 WeakPolarHBondContact CA-O 3.31Å; V881-L1087 HydrophobicContact CG1-CD2 4.31Å; V882-L1087 PolarHBondContact N-O 3.39Å; L892-L1087 HydrophobicContact CD2-CD2 4.14Å; L1087-I1119 CarbonylContact C-O 3.52Å; L1087-I1119 WeakPolarHBondContact CA-O 3.49Å; L1087-I1119 HydrophobicContact CB-CB 4.42Å; L1087-I1119 HydrophobicContact CD1-CB 4.47Å; L1087-I1119 HydrophobicContact CD1-CG2 4.32Å; L1087-I1119 HydrophobicContact CG-CB 4.32Å; L1087-I1119 HydrophobicContact CG-CG2 4.42Å; L1087-I1121 HydrophobicContact CD1-CD1 4.23Å; L1087-I1121 HydrophobicContact CD2-CD1 4.46Å; L1087-I1121 HydrophobicContact CG-CD1 4.38Å |
| 1088 | M | 97.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 120.9 | 176.3 | -50.7 | -168.2 | 171.6 | 0 | 0 | 111.5 | V882 V1086 A1091 T1099 P1102 I1119 L1120 I1121 | V882-M1088 HydrophobicContact CB-CG 4.17Å; V882-M1088 HydrophobicContact CG2-CE 4.47Å; V882-M1088 VanDerWaalsContact O-CA 3.24Å; V882-M1088 WeakPolarHBondContact O-CA 3.23Å; V1086-M1088 HydrophobicContact CG1-CE 3.54Å; V1086-M1088 HydrophobicContact CG1-CG 3.96Å; M1088-A1091 HydrophobicContact CB-CB 4.34Å; M1088-T1099 HydrophobicContact CE-CG2 4.45Å; M1088-T1099 WeakPolarHBondContact CE-O 3.47Å; M1088-T1099 HydrophobicContact SD-CG2 3.47Å; M1088-T1099 WeakPolarHBondContact SD-CG2 3.3Å; M1088-P1102 HydrophobicContact CE-CB 3.48Å; M1088-P1102 VanDerWaalsContact CE-CB 3.48Å; M1088-P1102 HydrophobicContact CE-CG 3.6Å; M1088-I1119 PolarHBondContact N-O 2.98Å; M1088-L1120 HydrophobicContact CB-CD2 3.7Å; M1088-L1120 HydrophobicContact CG-CD2 3.77Å; M1088-L1120 HydrophobicContact SD-CD2 3.65Å; M1088-I1121 PolarHBondContact O-N 3.5Å |
| 1089 | E | 93.6 | Very high | 93.7 | Very high | 6 Ų | 6 | 10 Ų | 10 | 3% | 0.028 | 6% | 0.056 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 146.4 | 173.7 | -160.8 | -171.7 | -168.8 | 0 | 0 | 111 | T860 V882 T883 L892 A1091 I1121 | T860-E1089 WeakPolarHBondContact CA-OE1 3.3Å; T860-E1089 WeakPolarHBondContact CB-OE1 3.27Å; T860-E1089 PolarHBondContact OG1-OE1 2.77Å; V882-E1089 PolarHBondContact O-N 3.05Å; V882-E1089 VanDerWaalsContact O-N 3.1Å; T883-E1089 HydrophobicContact CG2-CB 4.11Å; L892-E1089 HydrophobicContact CD2-CB 4.39Å; E1089-A1091 PolarHBondContact O-N 2.95Å; E1089-I1121 CarbonylContact C-O 3.56Å |
| 1090 | E | 93.2 | Very high | 94 | Very high | 22 Ų | 22 | 9 Ų | 9 | 10% | 0.103 | 5% | 0.051 | C | C | . | . | S | Bend | trans | 57.5 | 34.4 | -173.8 | -63.3 | -63.6 | 159.9 | 0 | 0 | 112.7 | K859 A1092 Q1093 I1121 | K859-E1090 WeakPolarHBondContact CE-OE1 3.41Å; K859-E1090 IonicContact NZ-OE1 2.74Å; E1090-A1092 PolarHBondContact O-N 2.73Å; E1090-Q1093 PolarHBondContact O-N 3.09Å; E1090-Q1093 PolarHBondContact OE2-NE2 3.36Å; E1090-I1121 PolarHBondContact N-O 2.8Å |
| 1091 | A | 95.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 6.9 Ų | 6.9 | 0% | 0 | 3% | 0.033 | C | C | . | . | G | 310 helix | trans | -57.8 | -21 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114 | M1088 E1089 Q1093 L1120 I1121 F1147 | M1088-A1091 HydrophobicContact CB-CB 4.34Å; E1089-A1091 PolarHBondContact O-N 2.95Å; A1091-Q1093 VanDerWaalsContact C-N 3.27Å; A1091-Q1093 PolarHBondContact O-N 3.23Å; A1091-L1120 HydrophobicContact CB-CB 4.27Å; A1091-L1120 HydrophobicContact CB-CD2 4.07Å; A1091-I1121 PolarHBondContact N-O 2.92Å; A1091-F1147 HydrophobicContact CB-CB 4.02Å; A1091-F1147 HydrophobicContact CB-CD2 3.76Å; A1091-F1147 HydrophobicContact CB-CG 4.22Å; A1091-F1147 WeakPolarHBondContact O-CB 3.45Å |
| 1092 | A | 94.4 | Very high | 94.4 | Very high | 3 Ų | 3 | 6.9 Ų | 6.9 | 3% | 0.025 | 3% | 0.033 | C | C | . | . | G | 310 helix | trans | -71.2 | -20.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | E1090 D1123 P1129 S1145 F1147 | E1090-A1092 PolarHBondContact O-N 2.73Å; A1092-D1123 VanDerWaalsContact CB-C 3.45Å; A1092-D1123 WeakPolarHBondContact CB-O 3.38Å; A1092-P1129 WeakPolarHBondContact O-CD 3.48Å; A1092-S1145 WeakPolarHBondContact CA-OG 3.27Å; A1092-S1145 VanDerWaalsContact O-CB 3.28Å; A1092-S1145 WeakPolarHBondContact O-CB 3.45Å; A1092-S1145 PolarHBondContact O-OG 3.36Å; A1092-F1147 HydrophobicContact CB-CD1 3.9Å; A1092-F1147 HydrophobicContact CB-CE1 4.42Å; A1092-F1147 HydrophobicContact CB-CG 4.33Å |
| 1093 | Q | 92.7 | Very high | 94.3 | Very high | 25 Ų | 25 | 5.6 Ų | 5.6 | 12% | 0.117 | 3% | 0.027 | C | C | . | . | G | 310 helix | trans | -97.8 | -2.1 | -178 | -63.1 | 179.9 | 41.3 | 0 | 0 | 113.7 | H884 E1090 A1091 L1127 P1129 | H884-Q1093 PolarHBondContact CE1-OE1 3.28Å; H884-Q1093 VanDerWaalsContact CE1-OE1 3.25Å; H884-Q1093 PolarHBondContact ND1-OE1 3.41Å; E1090-Q1093 PolarHBondContact O-N 3.09Å; E1090-Q1093 PolarHBondContact OE2-NE2 3.36Å; A1091-Q1093 VanDerWaalsContact C-N 3.27Å; A1091-Q1093 PolarHBondContact O-N 3.23Å; Q1093-L1127 WeakPolarHBondContact CG-O 3.28Å; Q1093-P1129 WeakPolarHBondContact O-CA 3.18Å; Q1093-P1129 WeakPolarHBondContact O-CB 3.34Å; Q1093-P1129 WeakPolarHBondContact O-CG 3.2Å |
| 1094 | I | 93.3 | Very high | 94.1 | Very high | 2 Ų | 2 | 6 Ų | 6 | 1% | 0.01 | 3% | 0.03 | C | C | . | . | S | Bend | trans | -99.4 | 140 | -177.3 | -60.8 | 160.5 | 0 | 0 | 0 | 109.9 | H884 C1066 E1098 T1099 P1129 S1145 | H884-I1094 HydrophobicContact CB-CD1 3.92Å; H884-I1094 HydrophobicContact CB-CG1 3.42Å; H884-I1094 VanDerWaalsContact CB-CG1 3.42Å; C1066-I1094 HydrophobicContact CB-CG2 4.15Å; C1066-I1094 WeakPolarHBondContact SG-CD1 3.26Å; I1094-E1098 HydrophobicContact CG2-CB 3.57Å; I1094-T1099 WeakPolarHBondContact CG2-OG1 3.48Å; I1094-P1129 VanDerWaalsContact O-CG 3.28Å; I1094-P1129 WeakPolarHBondContact O-CG 3.26Å; I1094-S1145 WeakPolarHBondContact O-CA 3.4Å; I1094-S1145 WeakPolarHBondContact O-CB 3.44Å |
| 1095 | L | 93.4 | Very high | 93.7 | Very high | 20 Ų | 20 | 5.9 Ų | 5.9 | 11% | 0.105 | 3% | 0.029 | C | C | . | . | trans | -60.4 | 155.4 | 175.4 | -66.1 | 172.6 | 0 | 0 | 0 | 111.1 | F516 I1097 E1098 T1099 P1129 I1131 M1142 | F516-L1095 HydrophobicContact CD2-CD1 4.17Å; F516-L1095 HydrophobicContact CE2-CD1 4.02Å; L1095-I1097 PolarHBondContact O-N 3.05Å; L1095-E1098 HydrophobicContact CB-CB 4.31Å; L1095-E1098 HydrophobicContact CB-CG 4.12Å; L1095-E1098 WeakPolarHBondContact CB-OE2 3.45Å; L1095-E1098 PolarHBondContact O-N 3.43Å; L1095-T1099 PolarHBondContact O-N 3.26Å; L1095-T1099 PolarHBondContact O-OG1 3.49Å; L1095-P1129 HydrophobicContact CD2-CB 3.51Å; L1095-P1129 HydrophobicContact CD2-CG 4.1Å; L1095-P1129 HydrophobicContact CG-CB 4.01Å; L1095-I1131 HydrophobicContact CD2-CD1 3.54Å; L1095-M1142 HydrophobicContact CD1-CE 4.28Å; L1095-M1142 WeakPolarHBondContact CD2-O 3.27Å | ||
| 1096 | E | 94.1 | Very high | 93.1 | Very high | 2 Ų | 2 | 6.5 Ų | 6.5 | 1% | 0.009 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -57.2 | -51.2 | -176 | -150.3 | -176.5 | 151.3 | 0 | 0 | 112.3 | Y508 E1098 T1099 F1100 L1146 R1149 | Y508-E1096 VanDerWaalsContact CE2-CD 3.49Å; Y508-E1096 HydrophobicContact CE2-CG 4.16Å; Y508-E1096 WeakPolarHBondContact CE2-OE1 3.27Å; Y508-E1096 VanDerWaalsContact OH-CG 3.31Å; Y508-E1096 WeakPolarHBondContact OH-CG 3.44Å; Y508-E1096 PolarHBondContact OH-O 3Å; Y508-E1096 PolarHBondContact OH-OE1 3.46Å; E1096-E1098 VanDerWaalsContact C-N 3.32Å; E1096-E1098 PolarHBondContact O-N 3.12Å; E1096-T1099 WeakPolarHBondContact O-CB 3.4Å; E1096-T1099 PolarHBondContact O-N 3.31Å; E1096-F1100 PolarHBondContact O-N 2.96Å; E1096-L1146 HydrophobicContact CG-CB 3.57Å; E1096-L1146 HydrophobicContact CG-CD1 3.88Å; E1096-L1146 HydrophobicContact CG-CD2 4.38Å; E1096-L1146 HydrophobicContact CG-CG 4.14Å; E1096-L1146 WeakPolarHBondContact OE1-CD1 3.18Å; E1096-R1149 IonicContact OE1-CZ 3.61Å; E1096-R1149 IonicContact OE1-NE 3.69Å; E1096-R1149 PolarHBondContact OE1-NE 3.21Å; E1096-R1149 IonicContact OE1-NH2 2.78Å; E1096-R1149 PolarHBondContact OE1-NH2 3.07Å; E1096-R1149 IonicContact OE2-NE 2.69Å |
| 1097 | I | 92.9 | Very high | 92.2 | Very high | 2 Ų | 2 | 12.3 Ų | 12.3 | 1% | 0.01 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -64.8 | -34.3 | -179.6 | -167.7 | 56 | 0 | 0 | 0 | 113.2 | Y508 L509 N512 F516 I721 L1095 T1099 F1100 I1101 | Y508-I1097 HydrophobicContact CE1-CD1 4.45Å; L509-I1097 HydrophobicContact CD2-CD1 3.79Å; N512-I1097 HydrophobicContact CB-CB 3.92Å; N512-I1097 HydrophobicContact CB-CD1 4.24Å; N512-I1097 HydrophobicContact CB-CG1 4.11Å; F516-I1097 HydrophobicContact CD2-CG2 4.46Å; I721-I1097 HydrophobicContact CD1-CD1 4.45Å; I721-I1097 HydrophobicContact CD1-CG1 3.65Å; I721-I1097 HydrophobicContact CG1-CD1 4.06Å; I721-I1097 HydrophobicContact CG1-CG1 3.65Å; L1095-I1097 PolarHBondContact O-N 3.05Å; I1097-T1099 VanDerWaalsContact C-N 3.32Å; I1097-F1100 HydrophobicContact CD1-CB 4.46Å; I1097-F1100 HydrophobicContact CD1-CD1 4.08Å; I1097-F1100 WeakPolarHBondContact O-CB 3.43Å; I1097-F1100 PolarHBondContact O-N 2.75Å; I1097-F1100 VanDerWaalsContact O-N 3.15Å; I1097-I1101 HydrophobicContact CG1-CD1 4.34Å; I1097-I1101 VanDerWaalsContact O-CG1 3.3Å; I1097-I1101 WeakPolarHBondContact O-CG1 3.33Å; I1097-I1101 PolarHBondContact O-N 3.43Å |
| 1098 | E | 92.7 | Very high | 91 | Very high | 31 Ų | 31 | 14.7 Ų | 14.7 | 15% | 0.145 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -72 | -28.4 | 177.4 | -67.1 | -176.7 | 125.9 | 0 | 0 | 112.2 | C1066 I1094 L1095 E1096 F1100 P1102 | C1066-E1098 HydrophobicContact CB-CB 4.31Å; I1094-E1098 HydrophobicContact CG2-CB 3.57Å; L1095-E1098 HydrophobicContact CB-CB 4.31Å; L1095-E1098 HydrophobicContact CB-CG 4.12Å; L1095-E1098 WeakPolarHBondContact CB-OE2 3.45Å; L1095-E1098 PolarHBondContact O-N 3.43Å; E1096-E1098 VanDerWaalsContact C-N 3.32Å; E1096-E1098 PolarHBondContact O-N 3.12Å; E1098-F1100 VanDerWaalsContact C-N 3.32Å; E1098-P1102 WeakPolarHBondContact O-CD 3.34Å |
| 1099 | T | 94.2 | Very high | 89.6 | Confident | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -73.6 | -28.9 | 170.7 | -46 | 0 | 0 | 0 | 0 | 110.8 | M1088 I1094 L1095 E1096 I1097 W1118 L1120 L1146 | M1088-T1099 HydrophobicContact CE-CG2 4.45Å; M1088-T1099 WeakPolarHBondContact CE-O 3.47Å; M1088-T1099 HydrophobicContact SD-CG2 3.47Å; M1088-T1099 WeakPolarHBondContact SD-CG2 3.3Å; I1094-T1099 WeakPolarHBondContact CG2-OG1 3.48Å; L1095-T1099 PolarHBondContact O-N 3.26Å; L1095-T1099 PolarHBondContact O-OG1 3.49Å; E1096-T1099 WeakPolarHBondContact O-CB 3.4Å; E1096-T1099 PolarHBondContact O-N 3.31Å; I1097-T1099 VanDerWaalsContact C-N 3.32Å; T1099-W1118 HydrophobicContact CG2-CZ2 4.05Å; T1099-L1120 HydrophobicContact CG2-CD2 4.09Å; T1099-L1146 HydrophobicContact CG2-CB 4.01Å; T1099-L1146 HydrophobicContact CG2-CD2 4.15Å; T1099-L1146 HydrophobicContact CG2-CG 4.5Å |
| 1100 | F | 93.6 | Very high | 88.5 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -79.8 | -41.5 | -177.8 | -175.9 | -108.4 | 0 | 0 | 0 | 113.5 | M505 Y508 L509 V731 L739 E1096 I1097 E1098 P1102 L1103 L1104 | M505-F1100 HydrophobicContact SD-CZ 4.42Å; Y508-F1100 HydrophobicContact CE1-CB 4.29Å; Y508-F1100 AromaticContact CE1-CD1 3.91Å; Y508-F1100 HydrophobicContact CE1-CD1 3.91Å; Y508-F1100 HydrophobicContact CE1-CD2 4.1Å; Y508-F1100 HydrophobicContact CE1-CE1 4.2Å; Y508-F1100 HydrophobicContact CE1-CE2 4.4Å; Y508-F1100 AromaticContact CE1-CG 3.83Å; Y508-F1100 HydrophobicContact CE1-CG 3.83Å; Y508-F1100 HydrophobicContact CE1-CZ 4.43Å; L509-F1100 HydrophobicContact CD2-CD1 4.2Å; L509-F1100 HydrophobicContact CD2-CE1 3.9Å; V731-F1100 HydrophobicContact CG1-CE2 3.73Å; V731-F1100 HydrophobicContact CG1-CZ 3.84Å; L739-F1100 HydrophobicContact CD1-CD2 4.31Å; L739-F1100 HydrophobicContact CD1-CE2 3.81Å; E1096-F1100 PolarHBondContact O-N 2.96Å; I1097-F1100 HydrophobicContact CD1-CB 4.46Å; I1097-F1100 HydrophobicContact CD1-CD1 4.08Å; I1097-F1100 WeakPolarHBondContact O-CB 3.43Å; I1097-F1100 PolarHBondContact O-N 2.75Å; I1097-F1100 VanDerWaalsContact O-N 3.15Å; E1098-F1100 VanDerWaalsContact C-N 3.32Å; F1100-P1102 VanDerWaalsContact C-CD 3.5Å; F1100-P1102 VanDerWaalsContact C-N 3.35Å; F1100-L1103 HydrophobicContact CD2-CD1 4.14Å; F1100-L1103 HydrophobicContact CE2-CD1 4.46Å; F1100-L1103 WeakPolarHBondContact O-CB 3.32Å; F1100-L1103 PolarHBondContact O-N 3.43Å; F1100-L1104 HydrophobicContact CD1-CD1 4.02Å; F1100-L1104 HydrophobicContact CE1-CD1 3.3Å; F1100-L1104 HydrophobicContact CE1-CG 4.39Å; F1100-L1104 HydrophobicContact CZ-CD1 3.65Å |
| 1101 | I | 92.2 | Very high | 87.3 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.16 | C | C | . | . | G | 310 helix | trans | -51.3 | -43.2 | -176.9 | -74.3 | 164.1 | 0 | 0 | 0 | 113.6 | V717 T720 L724 A1070 I1097 L1103 L1104 L1105 | V717-I1101 HydrophobicContact CG1-CD1 4.31Å; T720-I1101 HydrophobicContact CG2-CD1 3.76Å; T720-I1101 HydrophobicContact CG2-CG1 3.82Å; T720-I1101 HydrophobicContact CG2-CG2 4.07Å; L724-I1101 HydrophobicContact CD1-CG1 4.28Å; A1070-I1101 HydrophobicContact CB-CD1 3.89Å; A1070-I1101 HydrophobicContact CB-CG2 4.28Å; I1097-I1101 HydrophobicContact CG1-CD1 4.34Å; I1097-I1101 VanDerWaalsContact O-CG1 3.3Å; I1097-I1101 WeakPolarHBondContact O-CG1 3.33Å; I1097-I1101 PolarHBondContact O-N 3.43Å; I1101-L1103 PolarHBondContact O-N 2.9Å; I1101-L1104 PolarHBondContact O-N 3.35Å; I1101-L1105 HydrophobicContact CG2-CD2 4.06Å |
| 1102 | P | 92.3 | Very high | 86 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.191 | C | C | . | . | G | 310 helix | trans | -63.9 | -9.5 | 178.8 | -23.7 | 33.8 | 0 | 0 | 0 | 115.5 | L880 V882 A1069 Y1083 M1088 E1098 F1100 L1104 L1105 | L880-P1102 HydrophobicContact CD2-CB 4.3Å; V882-P1102 HydrophobicContact CG1-CG 4.19Å; V882-P1102 HydrophobicContact CG2-CB 4.01Å; V882-P1102 HydrophobicContact CG2-CG 4.27Å; A1069-P1102 HydrophobicContact CB-CG 4.11Å; Y1083-P1102 VanDerWaalsContact CZ-O 3.3Å; Y1083-P1102 PolarHBondContact OH-O 3.27Å; M1088-P1102 HydrophobicContact CE-CB 3.48Å; M1088-P1102 VanDerWaalsContact CE-CB 3.48Å; M1088-P1102 HydrophobicContact CE-CG 3.6Å; E1098-P1102 WeakPolarHBondContact O-CD 3.34Å; F1100-P1102 VanDerWaalsContact C-CD 3.5Å; F1100-P1102 VanDerWaalsContact C-N 3.35Å; P1102-L1104 VanDerWaalsContact C-N 3.27Å; P1102-L1105 HydrophobicContact CB-CD1 4.4Å |
| 1103 | L | 91.3 | Very high | 85.4 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.196 | C | C | . | . | G | 310 helix | trans | -79.6 | -15.1 | 171.7 | -57.1 | 179.3 | 0 | 0 | 0 | 112.5 | L735 V1086 F1100 I1101 L1115 W1118 | L735-L1103 HydrophobicContact CD2-CD1 4.03Å; V1086-L1103 HydrophobicContact CG2-CD2 4.49Å; F1100-L1103 HydrophobicContact CD2-CD1 4.14Å; F1100-L1103 HydrophobicContact CE2-CD1 4.46Å; F1100-L1103 WeakPolarHBondContact O-CB 3.32Å; F1100-L1103 PolarHBondContact O-N 3.43Å; I1101-L1103 PolarHBondContact O-N 2.9Å; L1103-L1115 HydrophobicContact CD2-CD2 3.64Å; L1103-W1118 HydrophobicContact CD1-CD2 4.24Å; L1103-W1118 HydrophobicContact CD1-CE3 4.11Å; L1103-W1118 HydrophobicContact CD1-CH2 3.75Å; L1103-W1118 HydrophobicContact CD1-CZ2 3.86Å; L1103-W1118 HydrophobicContact CD1-CZ3 3.89Å; L1103-W1118 HydrophobicContact CD2-CD2 3.8Å; L1103-W1118 HydrophobicContact CD2-CE3 4.38Å; L1103-W1118 HydrophobicContact CD2-CG 3.94Å; L1103-W1118 HydrophobicContact CD2-CZ2 4.27Å; L1103-W1118 HydrophobicContact CG-CZ2 4.32Å |
| 1104 | L | 88.6 | Confident | 85.2 | Confident | 9 Ų | 9 | 41.4 Ų | 41.4 | 5% | 0.047 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -126.1 | 25.8 | -167.8 | -54.8 | 178.4 | 0 | 0 | 0 | 112.3 | L724 V731 R1073 F1100 I1101 P1102 | L724-L1104 HydrophobicContact CD1-CD1 3.94Å; L724-L1104 HydrophobicContact CD2-CB 3.79Å; L724-L1104 HydrophobicContact CD2-CD1 3.54Å; L724-L1104 HydrophobicContact CD2-CG 4.31Å; L724-L1104 HydrophobicContact CG-CD1 4.31Å; V731-L1104 HydrophobicContact CG1-CD2 4.23Å; R1073-L1104 PolarHBondContact NE-O 2.79Å; R1073-L1104 PolarHBondContact NH2-O 3.32Å; F1100-L1104 HydrophobicContact CD1-CD1 4.02Å; F1100-L1104 HydrophobicContact CE1-CD1 3.3Å; F1100-L1104 HydrophobicContact CE1-CG 4.39Å; F1100-L1104 HydrophobicContact CZ-CD1 3.65Å; I1101-L1104 PolarHBondContact O-N 3.35Å; P1102-L1104 VanDerWaalsContact C-N 3.27Å |
| 1105 | L | 88.7 | Confident | 85.2 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -82.2 | -5.5 | 171.3 | -54.9 | 176.3 | 0 | 0 | 0 | 112.5 | L880 M1064 A1069 R1073 L1076 V1077 F1081 Y1083 I1101 P1102 | L880-L1105 HydrophobicContact CD2-CD1 3.83Å; M1064-L1105 HydrophobicContact SD-CD1 4.24Å; A1069-L1105 HydrophobicContact CB-CD1 3.94Å; A1069-L1105 HydrophobicContact CB-CD2 4.36Å; A1069-L1105 WeakPolarHBondContact O-CD2 3.45Å; R1073-L1105 HydrophobicContact CB-CD2 3.86Å; R1073-L1105 HydrophobicContact CG-CD2 3.8Å; L1076-L1105 HydrophobicContact CD1-CD1 4.04Å; L1076-L1105 HydrophobicContact CD1-CD2 4.39Å; V1077-L1105 WeakPolarHBondContact CG2-O 3.44Å; F1081-L1105 HydrophobicContact CD1-CB 4.45Å; Y1083-L1105 HydrophobicContact CE1-CB 3.95Å; Y1083-L1105 PolarHBondContact OH-N 3.08Å; I1101-L1105 HydrophobicContact CG2-CD2 4.06Å; P1102-L1105 HydrophobicContact CB-CD1 4.4Å |
| 1106 | Q | 86 | Confident | 85.2 | Confident | 13 Ų | 13 | 44.4 Ų | 44.4 | 6% | 0.061 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -116.7 | 145.8 | 176.8 | 63.4 | -174.3 | -18.9 | 0 | 0 | 110.8 | F1081 Y1083 N1113 | F1081-Q1106 WeakPolarHBondContact O-CA 3.39Å; F1081-Q1106 WeakPolarHBondContact O-CB 3.46Å; Y1083-Q1106 HydrophobicContact CE1-CB 4.06Å; Y1083-Q1106 HydrophobicContact CE1-CG 4.18Å; Y1083-Q1106 VanDerWaalsContact N-OE1 3.13Å; Y1083-Q1106 PolarHBondContact O-NE2 2.67Å; Y1083-Q1106 PolarHBondContact O-OE1 3.22Å; Y1083-Q1106 VanDerWaalsContact O-OE1 3.14Å; Q1106-N1113 PolarHBondContact NE2-OD1 2.97Å |
| 1107 | E | 77 | Confident | 85.4 | Confident | 123 Ų | 123 | 44.8 Ų | 44.8 | 58% | 0.575 | 22% | 0.223 | S | C | * | . | P | Polyproline II helix | trans | -77.9 | 157.1 | 169.7 | -69.3 | -172.9 | 162.1 | 0 | 0 | 111.2 | V1077 | V1077-E1107 HydrophobicContact CG1-CG 3.73Å; V1077-E1107 WeakPolarHBondContact CG1-OE1 3.43Å |
| 1108 | T | 73 | Confident | 85.6 | Confident | 51 Ų | 51 | 44.7 Ų | 44.7 | 31% | 0.313 | 22% | 0.223 | S | C | . | . | P | Polyproline II helix | trans | -78.3 | 141.4 | 170.8 | 47.4 | 0 | 0 | 0 | 0 | 110.9 | V730 | V730-T1108 HydrophobicContact CB-CG2 3.44Å; V730-T1108 VanDerWaalsContact CB-CG2 3.44Å; V730-T1108 HydrophobicContact CG1-CG2 3.64Å; V730-T1108 HydrophobicContact CG2-CG2 3.87Å |
| 1109 | K | 68.8 | Low | 85.9 | Confident | 137 Ų | 137 | 43.2 Ų | 43.2 | 60% | 0.596 | 22% | 0.216 | S | C | * | . | B | Isolated β-bridge | trans | -103.6 | 124.6 | 165.5 | -67.5 | -171.2 | 178.4 | -171.7 | 0 | 108 | G1111 H1112 | K1109-G1111 PolarHBondContact O-N 3.11Å; K1109-G1111 VanDerWaalsContact O-N 3.1Å; K1109-H1112 PolarHBondContact N-O 3.44Å; K1109-H1112 PolarHBondContact O-N 3.15Å |
| 1110 | D | 69.5 | Low | 86.1 | Confident | 160 Ų | 160 | 43.2 Ų | 43.2 | 86% | 0.856 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.5 | 31.7 | 179.1 | -51.7 | -44.1 | 0 | 0 | 0 | 113.9 | H1112 | D1110-H1112 VanDerWaalsContact C-N 3.28Å; D1110-H1112 PolarHBondContact O-N 3.16Å |
| 1111 | G | 68.1 | Low | 86.3 | Confident | 48 Ų | 48 | 43.2 Ų | 43.2 | 50% | 0.495 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79.2 | -0.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | K1109 | K1109-G1111 PolarHBondContact O-N 3.11Å; K1109-G1111 VanDerWaalsContact O-N 3.1Å |
| 1112 | H | 70.1 | Confident | 86.5 | Confident | 139 Ų | 139 | 43.2 Ų | 43.2 | 64% | 0.644 | 22% | 0.216 | S | C | * | . | B | Isolated β-bridge | trans | -101.8 | 135.2 | 178.7 | -65.6 | -62.7 | 0 | 0 | 0 | 112.3 | K1109 D1110 | K1109-H1112 PolarHBondContact N-O 3.44Å; K1109-H1112 PolarHBondContact O-N 3.15Å; D1110-H1112 VanDerWaalsContact C-N 3.28Å; D1110-H1112 PolarHBondContact O-N 3.16Å |
| 1113 | N | 79.9 | Confident | 86.6 | Confident | 27 Ų | 27 | 43.3 Ų | 43.3 | 14% | 0.144 | 22% | 0.217 | C | C | . | . | trans | -84.1 | 129.6 | 172.1 | -168.2 | -42 | 0 | 0 | 0 | 109.7 | V730 P732 Q1106 L1115 | V730-N1113 PolarHBondContact O-ND2 3.14Å; P732-N1113 HydrophobicContact CG-CB 4.07Å; Q1106-N1113 PolarHBondContact NE2-OD1 2.97Å; N1113-L1115 VanDerWaalsContact C-N 3.26Å; N1113-L1115 PolarHBondContact O-N 3.16Å; N1113-L1115 WeakPolarHBondContact OD1-CB 3.46Å; N1113-L1115 PolarHBondContact OD1-N 3.41Å | ||
| 1114 | R | 88.7 | Confident | 86.6 | Confident | 105 Ų | 105 | 45.3 Ų | 45.3 | 40% | 0.396 | 23% | 0.226 | S | C | . | . | trans | -69 | -22.7 | -178.8 | -177.1 | 177.7 | 176.1 | 126.8 | -3 | 113.1 | D1084 K1116 | D1084-R1114 VanDerWaalsContact CG-NE 3.28Å; D1084-R1114 WeakPolarHBondContact OD1-CG 3.29Å; D1084-R1114 IonicContact OD1-CZ 3.85Å; D1084-R1114 IonicContact OD1-NE 2.71Å; D1084-R1114 PolarHBondContact OD1-NE 3.39Å; D1084-R1114 IonicContact OD1-NH2 3.51Å; D1084-R1114 PolarHBondContact OD1-NH2 2.98Å; D1084-R1114 IonicContact OD2-CZ 3.6Å; D1084-R1114 IonicContact OD2-NE 3.76Å; D1084-R1114 PolarHBondContact OD2-NE 3.15Å; D1084-R1114 VanDerWaalsContact OD2-NE 3.16Å; D1084-R1114 IonicContact OD2-NH2 3.12Å; D1084-R1114 PolarHBondContact OD2-NH2 3.32Å; R1114-K1116 WeakPolarHBondContact O-CG 3.35Å; R1114-K1116 PolarHBondContact O-N 2.95Å | ||
| 1115 | L | 93.8 | Very high | 86.7 | Confident | 5 Ų | 5 | 46.3 Ų | 46.3 | 3% | 0.026 | 23% | 0.23 | C | C | . | . | trans | -56.3 | 120.8 | -174.8 | -173.6 | 70 | 0 | 0 | 0 | 111.9 | P732 Y1083 V1086 L1103 N1113 R1117 | P732-L1115 HydrophobicContact CG-CB 4.13Å; P732-L1115 HydrophobicContact CG-CD2 4.2Å; Y1083-L1115 HydrophobicContact CD2-CD1 4.31Å; Y1083-L1115 HydrophobicContact CE2-CD1 4.27Å; V1086-L1115 HydrophobicContact CB-CD1 4.25Å; V1086-L1115 HydrophobicContact CG2-CD1 3.59Å; L1103-L1115 HydrophobicContact CD2-CD2 3.64Å; N1113-L1115 VanDerWaalsContact C-N 3.26Å; N1113-L1115 PolarHBondContact O-N 3.16Å; N1113-L1115 WeakPolarHBondContact OD1-CB 3.46Å; N1113-L1115 PolarHBondContact OD1-N 3.41Å; L1115-R1117 WeakPolarHBondContact CD1-O 3.41Å | ||
| 1116 | K | 94.6 | Very high | 86.8 | Confident | 81 Ų | 81 | 46.6 Ų | 46.6 | 35% | 0.352 | 23% | 0.232 | S | C | . | . | trans | -100.8 | -34.2 | 178.2 | -56.2 | -174.9 | -170.5 | 177.9 | 0 | 112.3 | P846 G847 D1084 R1114 | P846-K1116 WeakPolarHBondContact CA-O 3.47Å; G847-K1116 PolarHBondContact N-O 3.12Å; D1084-K1116 HydrophobicContact CB-CD 4.4Å; D1084-K1116 HydrophobicContact CB-CG 4.44Å; D1084-K1116 PolarHBondContact O-N 3.4Å; D1084-K1116 WeakPolarHBondContact OD1-CE 3.47Å; D1084-K1116 IonicContact OD1-NZ 3.47Å; R1114-K1116 WeakPolarHBondContact O-CG 3.35Å; R1114-K1116 PolarHBondContact O-N 2.95Å | ||
| 1117 | R | 96.9 | Very high | 87.1 | Confident | 9 Ų | 9 | 46.5 Ų | 46.5 | 3% | 0.034 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 136 | -172 | -59.3 | -175.9 | -173.3 | 81.6 | -8.2 | 112.5 | G843 M844 Q845 G847 W874 D1084 N1085 V1086 L1115 I1119 | G843-R1117 WeakPolarHBondContact O-CD 3.32Å; M844-R1117 PolarHBondContact O-NE 2.91Å; M844-R1117 PolarHBondContact O-NH2 3.22Å; Q845-R1117 WeakPolarHBondContact O-CD 3.41Å; Q845-R1117 VanDerWaalsContact O-CG 3.32Å; Q845-R1117 WeakPolarHBondContact O-CG 3.04Å; Q845-R1117 PolarHBondContact O-NE 2.92Å; G847-R1117 WeakPolarHBondContact O-CA 3.41Å; W874-R1117 VanDerWaalsContact CZ3-NH2 3.3Å; D1084-R1117 PolarHBondContact O-N 2.69Å; N1085-R1117 WeakPolarHBondContact CA-O 3.41Å; N1085-R1117 HydrophobicContact CB-CB 4.22Å; N1085-R1117 WeakPolarHBondContact OD1-CB 3.25Å; N1085-R1117 WeakPolarHBondContact OD1-CD 3.45Å; N1085-R1117 WeakPolarHBondContact OD1-CG 3.36Å; N1085-R1117 PolarHBondContact OD1-NH1 3.19Å; V1086-R1117 PolarHBondContact N-O 3.17Å; L1115-R1117 WeakPolarHBondContact CD1-O 3.41Å; R1117-I1119 HydrophobicContact CB-CD1 3.76Å |
| 1118 | W | 97.6 | Very high | 87.8 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 107.5 | 170.7 | -170.9 | 23.9 | 0 | 0 | 0 | 110.2 | W734 L735 L739 G847 L848 T849 V1086 T1099 L1103 L1120 L1146 | W734-W1118 HydrophobicContact CH2-CB 4.42Å; L735-W1118 HydrophobicContact CD1-CE3 3.85Å; L735-W1118 HydrophobicContact CD1-CZ3 3.82Å; L735-W1118 HydrophobicContact CD2-CE3 3.49Å; L735-W1118 VanDerWaalsContact CD2-CE3 3.49Å; L735-W1118 HydrophobicContact CD2-CZ3 3.68Å; L735-W1118 HydrophobicContact CG-CE3 4.29Å; L735-W1118 HydrophobicContact CG-CZ3 4.24Å; L739-W1118 HydrophobicContact CD2-CH2 4.09Å; L739-W1118 HydrophobicContact CD2-CZ3 3.98Å; G847-W1118 PolarHBondContact O-N 2.9Å; L848-W1118 WeakPolarHBondContact CA-O 3.46Å; L848-W1118 HydrophobicContact CD1-CB 4.38Å; L848-W1118 HydrophobicContact CD1-CD2 4.04Å; L848-W1118 HydrophobicContact CD1-CE3 3.69Å; L848-W1118 HydrophobicContact CD1-CG 4.35Å; L848-W1118 HydrophobicContact CD1-CZ3 4.29Å; T849-W1118 PolarHBondContact N-O 3.17Å; V1086-W1118 WeakPolarHBondContact O-CA 3.29Å; T1099-W1118 HydrophobicContact CG2-CZ2 4.05Å; L1103-W1118 HydrophobicContact CD1-CD2 4.24Å; L1103-W1118 HydrophobicContact CD1-CE3 4.11Å; L1103-W1118 HydrophobicContact CD1-CH2 3.75Å; L1103-W1118 HydrophobicContact CD1-CZ2 3.86Å; L1103-W1118 HydrophobicContact CD1-CZ3 3.89Å; L1103-W1118 HydrophobicContact CD2-CD2 3.8Å; L1103-W1118 HydrophobicContact CD2-CE3 4.38Å; L1103-W1118 HydrophobicContact CD2-CG 3.94Å; L1103-W1118 HydrophobicContact CD2-CZ2 4.27Å; L1103-W1118 HydrophobicContact CG-CZ2 4.32Å; W1118-L1120 HydrophobicContact CD2-CD1 4.46Å; W1118-L1120 HydrophobicContact CD2-CG 4.37Å; W1118-L1120 HydrophobicContact CH2-CD1 4.17Å; W1118-L1120 HydrophobicContact CZ2-CD1 3.85Å; W1118-L1120 HydrophobicContact CZ2-CD2 3.92Å; W1118-L1120 HydrophobicContact CZ2-CG 4.21Å; W1118-L1120 VanDerWaalsContact NE1-CD2 3.27Å; W1118-L1146 HydrophobicContact CH2-CD2 3.56Å; W1118-L1146 HydrophobicContact CH2-CG 4.17Å; W1118-L1146 HydrophobicContact CZ2-CD2 4.09Å |
| 1119 | I | 98.6 | Very high | 88.7 | Confident | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 116.5 | -176.7 | -53.6 | 91.1 | 0 | 0 | 0 | 108.2 | T849 I851 I866 V1086 L1087 M1088 R1117 I1121 | T849-I1119 HydrophobicContact CG2-CG2 4.26Å; I851-I1119 HydrophobicContact CD1-CG2 4.08Å; I866-I1119 HydrophobicContact CD1-CG2 4.24Å; V1086-I1119 PolarHBondContact O-N 3.43Å; L1087-I1119 CarbonylContact C-O 3.52Å; L1087-I1119 WeakPolarHBondContact CA-O 3.49Å; L1087-I1119 HydrophobicContact CB-CB 4.42Å; L1087-I1119 HydrophobicContact CD1-CB 4.47Å; L1087-I1119 HydrophobicContact CD1-CG2 4.32Å; L1087-I1119 HydrophobicContact CG-CB 4.32Å; L1087-I1119 HydrophobicContact CG-CG2 4.42Å; M1088-I1119 PolarHBondContact N-O 2.98Å; R1117-I1119 HydrophobicContact CB-CD1 3.76Å; I1119-I1121 HydrophobicContact CG2-CD1 4.28Å; I1119-I1121 HydrophobicContact CG2-CG1 4.08Å |
| 1120 | L | 98.5 | Very high | 89.6 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 119.2 | 177.4 | -65.8 | -179.9 | 0 | 0 | 0 | 109.7 | L848 T849 L850 I851 M1088 A1091 T1099 W1118 F1147 L1150 | L848-L1120 HydrophobicContact CD1-CD1 4.21Å; L848-L1120 HydrophobicContact CD1-CG 4.46Å; T849-L1120 PolarHBondContact O-N 3.27Å; L850-L1120 HydrophobicContact CD1-CB 3.81Å; L850-L1120 HydrophobicContact CD1-CD1 4.22Å; I851-L1120 PolarHBondContact N-O 2.87Å; M1088-L1120 HydrophobicContact CB-CD2 3.7Å; M1088-L1120 HydrophobicContact CG-CD2 3.77Å; M1088-L1120 HydrophobicContact SD-CD2 3.65Å; A1091-L1120 HydrophobicContact CB-CB 4.27Å; A1091-L1120 HydrophobicContact CB-CD2 4.07Å; T1099-L1120 HydrophobicContact CG2-CD2 4.09Å; W1118-L1120 HydrophobicContact CD2-CD1 4.46Å; W1118-L1120 HydrophobicContact CD2-CG 4.37Å; W1118-L1120 HydrophobicContact CH2-CD1 4.17Å; W1118-L1120 HydrophobicContact CZ2-CD1 3.85Å; W1118-L1120 HydrophobicContact CZ2-CD2 3.92Å; W1118-L1120 HydrophobicContact CZ2-CG 4.21Å; W1118-L1120 VanDerWaalsContact NE1-CD2 3.27Å; L1120-F1147 HydrophobicContact CB-CD2 3.98Å; L1120-F1147 HydrophobicContact CB-CE2 4.4Å; L1120-L1150 HydrophobicContact CD1-CD1 3.65Å |
| 1121 | I | 98.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 125.3 | -180 | -55.8 | 171.5 | 0 | 0 | 0 | 108.3 | I851 K859 A863 L1087 M1088 E1089 E1090 A1091 I1119 | I851-I1121 HydrophobicContact CB-CG1 4.09Å; I851-I1121 HydrophobicContact CB-CG2 4.43Å; I851-I1121 HydrophobicContact CD1-CD1 4.23Å; I851-I1121 HydrophobicContact CD1-CG1 3.85Å; I851-I1121 HydrophobicContact CG1-CG1 4.49Å; I851-I1121 HydrophobicContact CG2-CG2 4.36Å; I851-I1121 WeakPolarHBondContact O-CA 3.41Å; K859-I1121 HydrophobicContact CB-CG2 3.93Å; K859-I1121 HydrophobicContact CD-CG2 3.87Å; K859-I1121 HydrophobicContact CG-CG2 3.92Å; A863-I1121 HydrophobicContact CB-CD1 3.55Å; L1087-I1121 HydrophobicContact CD1-CD1 4.23Å; L1087-I1121 HydrophobicContact CD2-CD1 4.46Å; L1087-I1121 HydrophobicContact CG-CD1 4.38Å; M1088-I1121 PolarHBondContact O-N 3.5Å; E1089-I1121 CarbonylContact C-O 3.56Å; E1090-I1121 PolarHBondContact N-O 2.8Å; A1091-I1121 PolarHBondContact N-O 2.92Å; I1119-I1121 HydrophobicContact CG2-CD1 4.28Å; I1119-I1121 HydrophobicContact CG2-CG1 4.08Å |
| 1122 | G | 96 | Very high | 91.5 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -173 | -173.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | I851 V852 G853 F1147 | I851-G1122 PolarHBondContact O-N 2.81Å; V852-G1122 VanDerWaalsContact CA-O 3.3Å; V852-G1122 WeakPolarHBondContact CA-O 3.24Å; G853-G1122 PolarHBondContact N-O 3.3Å; G1122-F1147 WeakPolarHBondContact O-CZ 3.41Å |
| 1123 | D | 95.1 | Very high | 92.4 | Very high | 2 Ų | 2 | 27.4 Ų | 27.4 | 1% | 0.011 | 13% | 0.131 | C | C | . | . | trans | -143.8 | 100.4 | 176.7 | -172.5 | -5.4 | 0 | 0 | 0 | 111.4 | A1092 H1125 Q1126 Y1178 | A1092-D1123 VanDerWaalsContact CB-C 3.45Å; A1092-D1123 WeakPolarHBondContact CB-O 3.38Å; D1123-H1125 PolarHBondContact O-N 3.42Å; D1123-H1125 WeakPolarHBondContact OD1-CB 3.3Å; D1123-H1125 PolarHBondContact OD1-N 3.34Å; D1123-Q1126 HydrophobicContact CB-CB 4.39Å; D1123-Q1126 HydrophobicContact CB-CG 4.31Å; D1123-Q1126 PolarHBondContact O-N 2.93Å; D1123-Q1126 VanDerWaalsContact O-N 3.14Å; D1123-Q1126 WeakPolarHBondContact OD2-CG 3.26Å; D1123-Q1126 PolarHBondContact OD2-NE2 2.97Å; D1123-Y1178 PolarHBondContact OD2-OH 2.79Å | ||
| 1124 | H | 91.9 | Very high | 92.6 | Very high | 42 Ų | 42 | 29 Ų | 29 | 19% | 0.194 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71 | -2.9 | 178.1 | 71 | -62.6 | 0 | 0 | 0 | 114.3 | F1147 A1148 | H1124-F1147 HydrophobicContact CB-CD1 4.08Å; H1124-F1147 HydrophobicContact CB-CE1 4.07Å; H1124-A1148 HydrophobicContact CB-CB 4.12Å |
| 1125 | H | 90 | Very high | 92.6 | Very high | 29 Ų | 29 | 24 Ų | 24 | 13% | 0.134 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96 | -3.4 | 170.7 | -64.7 | -32.4 | 0 | 0 | 0 | 113.4 | D1123 R1177 Y1178 R1315 | D1123-H1125 PolarHBondContact O-N 3.42Å; D1123-H1125 WeakPolarHBondContact OD1-CB 3.3Å; D1123-H1125 PolarHBondContact OD1-N 3.34Å; H1125-R1177 HydrophobicContact CB-CG 3.77Å; H1125-R1177 PolarHBondContact ND1-NE 3.46Å; H1125-Y1178 HydrophobicContact CB-CE1 3.9Å; H1125-Y1178 AromaticContact CD2-CD1 3.85Å; H1125-Y1178 AromaticContact CD2-CE1 3.81Å; H1125-R1315 WeakPolarHBondContact O-CA 3.43Å |
| 1126 | Q | 91.2 | Very high | 92.5 | Very high | 7 Ų | 7 | 23.7 Ų | 23.7 | 3% | 0.033 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -99.9 | -166.2 | 168.4 | -70.9 | -178.2 | 55.7 | 0 | 0 | 110.9 | D1123 R1315 V1318 V1319 | D1123-Q1126 HydrophobicContact CB-CB 4.39Å; D1123-Q1126 HydrophobicContact CB-CG 4.31Å; D1123-Q1126 PolarHBondContact O-N 2.93Å; D1123-Q1126 VanDerWaalsContact O-N 3.14Å; D1123-Q1126 WeakPolarHBondContact OD2-CG 3.26Å; D1123-Q1126 PolarHBondContact OD2-NE2 2.97Å; Q1126-R1315 WeakPolarHBondContact O-CB 3.49Å; Q1126-R1315 VanDerWaalsContact O-CD 3.24Å; Q1126-R1315 WeakPolarHBondContact O-CD 3.26Å; Q1126-R1315 WeakPolarHBondContact O-CG 3.35Å; Q1126-V1318 HydrophobicContact CG-CG1 4.18Å; Q1126-V1319 HydrophobicContact CB-CG2 3.92Å; Q1126-V1319 HydrophobicContact CG-CG2 3.92Å |
| 1127 | L | 91.5 | Very high | 92.2 | Very high | 11 Ų | 11 | 22.1 Ų | 22.1 | 6% | 0.058 | 11% | 0.111 | C | C | . | . | trans | -64.3 | 138.3 | -172.1 | -59.5 | 176.5 | 0 | 0 | 0 | 112.2 | Q1093 D1288 R1315 R1316 V1319 | Q1093-L1127 WeakPolarHBondContact CG-O 3.28Å; L1127-D1288 HydrophobicContact CD1-CB 3.89Å; L1127-R1315 HydrophobicContact CD2-CB 4.49Å; L1127-R1316 HydrophobicContact CD2-CB 4.24Å; L1127-R1316 HydrophobicContact CD2-CG 3.35Å; L1127-V1319 HydrophobicContact CD1-CG2 4.47Å; L1127-V1319 HydrophobicContact CG-CG2 3.95Å | ||
| 1128 | P | 92.8 | Very high | 91.6 | Very high | 21 Ų | 21 | 25.9 Ų | 25.9 | 14% | 0.136 | 13% | 0.128 | C | C | . | . | trans | -76.6 | 177.1 | 169.9 | 36.6 | -38.3 | 0 | 0 | 0 | 111.6 | E1143 | P1128-E1143 HydrophobicContact CB-CB 4.19Å; P1128-E1143 VanDerWaalsContact CB-O 3.26Å; P1128-E1143 WeakPolarHBondContact CB-O 3.37Å; P1128-E1143 HydrophobicContact CG-CB 4.32Å | ||
| 1129 | P | 91.9 | Very high | 91.2 | Very high | 6 Ų | 6 | 27.1 Ų | 27.1 | 4% | 0.039 | 13% | 0.133 | C | C | . | . | trans | -52.8 | 145.1 | 165.5 | -19.9 | 30.9 | 0 | 0 | 0 | 112.1 | A1092 Q1093 I1094 L1095 I1131 E1143 | A1092-P1129 WeakPolarHBondContact O-CD 3.48Å; Q1093-P1129 WeakPolarHBondContact O-CA 3.18Å; Q1093-P1129 WeakPolarHBondContact O-CB 3.34Å; Q1093-P1129 WeakPolarHBondContact O-CG 3.2Å; I1094-P1129 VanDerWaalsContact O-CG 3.28Å; I1094-P1129 WeakPolarHBondContact O-CG 3.26Å; L1095-P1129 HydrophobicContact CD2-CB 3.51Å; L1095-P1129 HydrophobicContact CD2-CG 4.1Å; L1095-P1129 HydrophobicContact CG-CB 4.01Å; P1129-I1131 PolarHBondContact O-N 3.25Å; P1129-E1143 VanDerWaalsContact CD-O 3.26Å; P1129-E1143 WeakPolarHBondContact CD-O 3.36Å | ||
| 1130 | V | 86.9 | Confident | 90.8 | Very high | 109 Ų | 109 | 27.1 Ų | 27.1 | 66% | 0.661 | 13% | 0.133 | S | C | * | . | trans | -84 | 114.9 | -178.2 | -177.6 | 0 | 0 | 0 | 0 | 110.6 | K1132 | V1130-K1132 HydrophobicContact CG1-CD 4.44Š| ||
| 1131 | I | 89.7 | Confident | 90.5 | Very high | 12 Ų | 12 | 28.3 Ų | 28.3 | 6% | 0.062 | 14% | 0.139 | C | C | . | . | trans | -106.5 | 129.4 | 170.7 | -51.8 | -58.4 | 0 | 0 | 0 | 108.7 | L1095 P1129 N1133 F1136 Q1137 M1142 E1143 | L1095-I1131 HydrophobicContact CD2-CD1 3.54Å; P1129-I1131 PolarHBondContact O-N 3.25Å; I1131-N1133 WeakPolarHBondContact CG2-O 3.48Å; I1131-F1136 HydrophobicContact CG2-CB 4.01Å; I1131-Q1137 HydrophobicContact CB-CB 3.98Å; I1131-Q1137 HydrophobicContact CB-CG 4.31Å; I1131-Q1137 HydrophobicContact CG2-CB 4.03Å; I1131-M1142 HydrophobicContact CD1-CB 4.04Å; I1131-M1142 HydrophobicContact CD1-CE 4.17Å; I1131-M1142 HydrophobicContact CD1-CG 3.69Å; I1131-M1142 HydrophobicContact CD1-SD 3.97Å; I1131-M1142 HydrophobicContact CG1-CB 4.19Å; I1131-M1142 HydrophobicContact CG1-CG 4.38Å; I1131-E1143 HydrophobicContact CG1-CB 3.95Å | ||
| 1132 | K | 87.4 | Confident | 90.3 | Very high | 108 Ų | 108 | 28.9 Ų | 28.9 | 47% | 0.47 | 14% | 0.142 | S | C | . | . | S | Bend | trans | -79.9 | -36.9 | -177.3 | -56.7 | -62.8 | -175.6 | 175.1 | 0 | 111.8 | E519 Y522 Q523 V1130 | E519-K1132 VanDerWaalsContact OE1-CB 3.27Å; E519-K1132 WeakPolarHBondContact OE1-CB 3.4Å; E519-K1132 WeakPolarHBondContact OE1-CG 3.29Å; E519-K1132 PolarHBondContact OE1-N 2.84Å; Y522-K1132 HydrophobicContact CD1-CB 4.03Å; Y522-K1132 HydrophobicContact CE1-CB 3.86Å; Q523-K1132 HydrophobicContact CG-CB 4.34Å; Q523-K1132 HydrophobicContact CG-CG 3.97Å; V1130-K1132 HydrophobicContact CG1-CD 4.44Å |
| 1133 | N | 89.1 | Confident | 90.1 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 14% | 0.144 | C | C | . | . | trans | -87.8 | 124 | 179.1 | -167.5 | -64.6 | 0 | 0 | 0 | 112 | P483 E519 Y522 I1131 A1135 F1136 Q1137 | P483-N1133 PolarHBondContact O-ND2 2.77Å; E519-N1133 VanDerWaalsContact OE2-CB 3.29Å; E519-N1133 WeakPolarHBondContact OE2-CB 3.29Å; E519-N1133 PolarHBondContact OE2-N 3.44Å; Y522-N1133 HydrophobicContact CD1-CB 3.7Å; Y522-N1133 HydrophobicContact CD2-CB 4.36Å; Y522-N1133 WeakPolarHBondContact CD2-ND2 3.41Å; Y522-N1133 HydrophobicContact CE1-CB 4.01Å; Y522-N1133 WeakPolarHBondContact CE2-ND2 3.45Å; Y522-N1133 HydrophobicContact CG-CB 3.89Å; I1131-N1133 WeakPolarHBondContact CG2-O 3.48Å; N1133-A1135 VanDerWaalsContact C-N 3.29Å; N1133-A1135 PolarHBondContact O-N 3.05Å; N1133-A1135 WeakPolarHBondContact OD1-CA 3.48Å; N1133-A1135 WeakPolarHBondContact OD1-CB 3.35Å; N1133-A1135 PolarHBondContact OD1-N 2.93Å; N1133-F1136 HydrophobicContact CB-CB 4.38Å; N1133-F1136 HydrophobicContact CB-CD2 3.36Å; N1133-F1136 HydrophobicContact CB-CE2 3.74Å; N1133-F1136 HydrophobicContact CB-CG 4.08Å; N1133-F1136 PolarHBondContact O-N 3.3Å; N1133-F1136 PolarHBondContact OD1-N 3.23Å; N1133-Q1137 WeakPolarHBondContact O-CB 3.48Å; N1133-Q1137 PolarHBondContact O-N 3.27Å | ||
| 1134 | Q | 85.1 | Confident | 89.9 | Confident | 60 Ų | 60 | 29.7 Ų | 29.7 | 28% | 0.28 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -66.3 | -27.7 | -179.7 | -66.4 | -165.3 | 23.3 | 0 | 0 | 113.7 | K1138 | Q1134-K1138 VanDerWaalsContact O-CB 3.26Å; Q1134-K1138 WeakPolarHBondContact O-CB 3.45Å; Q1134-K1138 WeakPolarHBondContact O-CG 3.5Å; Q1134-K1138 PolarHBondContact O-N 2.92Å |
| 1135 | A | 87.8 | Confident | 90.1 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -67.6 | -48.6 | 175 | 0 | 0 | 0 | 0 | 0 | 110.9 | P483 Y487 L493 N1133 Q1137 K1138 Y1139 S1140 | P483-A1135 HydrophobicContact CB-CB 3.96Å; P483-A1135 HydrophobicContact CG-CB 3.7Å; Y487-A1135 HydrophobicContact CD1-CB 3.89Å; Y487-A1135 HydrophobicContact CD2-CB 4.22Å; Y487-A1135 HydrophobicContact CG-CB 3.7Å; L493-A1135 HydrophobicContact CD1-CB 3.74Å; N1133-A1135 VanDerWaalsContact C-N 3.29Å; N1133-A1135 PolarHBondContact O-N 3.05Å; N1133-A1135 WeakPolarHBondContact OD1-CA 3.48Å; N1133-A1135 WeakPolarHBondContact OD1-CB 3.35Å; N1133-A1135 PolarHBondContact OD1-N 2.93Å; A1135-Q1137 VanDerWaalsContact C-N 3.3Å; A1135-Q1137 PolarHBondContact O-N 2.9Å; A1135-K1138 PolarHBondContact O-N 3Å; A1135-Y1139 WeakPolarHBondContact O-CA 3.45Å; A1135-Y1139 WeakPolarHBondContact O-CB 3.4Å; A1135-Y1139 PolarHBondContact O-N 3.16Å; A1135-S1140 PolarHBondContact O-N 3.03Å |
| 1136 | F | 92.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -65.1 | -37.7 | 176.4 | -52.4 | -37.9 | 0 | 0 | 0 | 111.4 | V481 L495 L515 L518 E519 I1131 N1133 S1140 N1141 M1142 | V481-F1136 WeakPolarHBondContact O-CE1 3.5Å; V481-F1136 WeakPolarHBondContact O-CZ 3.48Å; L495-F1136 HydrophobicContact CD1-CD1 3.78Å; L495-F1136 HydrophobicContact CD1-CE1 3.63Å; L495-F1136 HydrophobicContact CD2-CE1 3.89Å; L495-F1136 HydrophobicContact CG-CE1 4.43Å; L515-F1136 HydrophobicContact CD2-CD1 4.4Å; L518-F1136 VanDerWaalsContact C-CE2 3.44Å; L518-F1136 HydrophobicContact CB-CE1 3.87Å; L518-F1136 HydrophobicContact CB-CE2 3.95Å; L518-F1136 HydrophobicContact CB-CZ 3.5Å; L518-F1136 VanDerWaalsContact CB-CZ 3.5Å; L518-F1136 HydrophobicContact CD1-CE1 4.21Å; L518-F1136 WeakPolarHBondContact O-CE2 3.35Å; E519-F1136 HydrophobicContact CB-CD2 3.87Å; E519-F1136 HydrophobicContact CB-CE2 4.39Å; E519-F1136 WeakPolarHBondContact OE2-CD2 3.22Å; I1131-F1136 HydrophobicContact CG2-CB 4.01Å; N1133-F1136 HydrophobicContact CB-CB 4.38Å; N1133-F1136 HydrophobicContact CB-CD2 3.36Å; N1133-F1136 HydrophobicContact CB-CE2 3.74Å; N1133-F1136 HydrophobicContact CB-CG 4.08Å; N1133-F1136 PolarHBondContact O-N 3.3Å; N1133-F1136 PolarHBondContact OD1-N 3.23Å; F1136-S1140 WeakPolarHBondContact O-CB 3.31Å; F1136-N1141 PolarHBondContact O-N 3.35Å; F1136-M1142 HydrophobicContact CB-CB 4.36Å; F1136-M1142 HydrophobicContact CB-SD 4.13Å; F1136-M1142 VanDerWaalsContact O-CB 3.27Å; F1136-M1142 WeakPolarHBondContact O-CB 3.44Å; F1136-M1142 PolarHBondContact O-N 2.76Å |
| 1137 | Q | 89 | Confident | 90.7 | Very high | 48 Ų | 48 | 26.1 Ų | 26.1 | 22% | 0.224 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -60.2 | -57 | 174.3 | -169.9 | -175 | 17.8 | 0 | 0 | 111.7 | R102 I1131 N1133 A1135 N1141 E1143 | R102-Q1137 PolarHBondContact NH2-O 3.44Å; I1131-Q1137 HydrophobicContact CB-CB 3.98Å; I1131-Q1137 HydrophobicContact CB-CG 4.31Å; I1131-Q1137 HydrophobicContact CG2-CB 4.03Å; N1133-Q1137 WeakPolarHBondContact O-CB 3.48Å; N1133-Q1137 PolarHBondContact O-N 3.27Å; A1135-Q1137 VanDerWaalsContact C-N 3.3Å; A1135-Q1137 PolarHBondContact O-N 2.9Å; Q1137-N1141 WeakPolarHBondContact O-CA 3.36Å; Q1137-N1141 PolarHBondContact O-N 3.26Å; Q1137-E1143 HydrophobicContact CG-CB 3.98Å; Q1137-E1143 HydrophobicContact CG-CG 3.81Å; Q1137-E1143 WeakPolarHBondContact CG-OE2 3.39Å; Q1137-E1143 PolarHBondContact NE2-OE2 2.86Å |
| 1138 | K | 84 | Confident | 90.8 | Very high | 88 Ų | 88 | 26.5 Ų | 26.5 | 38% | 0.383 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -90.7 | -49.9 | -168.5 | -65.1 | -179.5 | -179.1 | 169.5 | 0 | 113.8 | R102 Q1134 A1135 | R102-K1138 VanDerWaalsContact NH2-CA 3.34Å; R102-K1138 PolarHBondContact NH2-O 3.43Å; Q1134-K1138 VanDerWaalsContact O-CB 3.26Å; Q1134-K1138 WeakPolarHBondContact O-CB 3.45Å; Q1134-K1138 WeakPolarHBondContact O-CG 3.5Å; Q1134-K1138 PolarHBondContact O-N 2.92Å; A1135-K1138 PolarHBondContact O-N 3Å |
| 1139 | Y | 87.7 | Confident | 90.8 | Very high | 26 Ų | 26 | 25.5 Ų | 25.5 | 10% | 0.102 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -49.6 | -178.3 | -174.3 | -95.4 | 0 | 0 | 0 | 111.5 | E262 Y487 L493 L495 K497 A1135 | E262-Y1139 VanDerWaalsContact CD-OH 3.24Å; E262-Y1139 VanDerWaalsContact OE1-CE2 3.23Å; E262-Y1139 WeakPolarHBondContact OE1-CE2 3.46Å; E262-Y1139 VanDerWaalsContact OE1-CZ 3.25Å; E262-Y1139 PolarHBondContact OE1-OH 3.35Å; Y487-Y1139 HydrophobicContact CE1-CD2 4.42Å; Y487-Y1139 HydrophobicContact CE1-CG 4.48Å; Y487-Y1139 WeakPolarHBondContact OH-CD2 3.26Å; L493-Y1139 HydrophobicContact CB-CD1 4.05Å; L493-Y1139 HydrophobicContact CB-CE1 3.82Å; L493-Y1139 HydrophobicContact CB-CG 4.5Å; L493-Y1139 HydrophobicContact CD1-CD1 4.23Å; L493-Y1139 HydrophobicContact CD1-CG 4.11Å; L493-Y1139 PolarHBondContact O-OH 3.16Å; L493-Y1139 VanDerWaalsContact O-OH 3.05Å; L495-Y1139 HydrophobicContact CB-CD1 3.96Å; L495-Y1139 HydrophobicContact CB-CE1 3.96Å; L495-Y1139 HydrophobicContact CD1-CD1 4.28Å; K497-Y1139 HydrophobicContact CG-CE1 4.44Å; A1135-Y1139 WeakPolarHBondContact O-CA 3.45Å; A1135-Y1139 WeakPolarHBondContact O-CB 3.4Å; A1135-Y1139 PolarHBondContact O-N 3.16Å |
| 1140 | S | 91.7 | Very high | 90.9 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -85.9 | -12.1 | -175.3 | -50.9 | 0 | 0 | 0 | 0 | 113.6 | N496 L498 L515 A1135 F1136 M1142 | N496-S1140 WeakPolarHBondContact O-CB 3.44Å; N496-S1140 PolarHBondContact O-OG 3Å; L498-S1140 PolarHBondContact N-O 3.27Å; L515-S1140 WeakPolarHBondContact CD2-OG 3.36Å; A1135-S1140 PolarHBondContact O-N 3.03Å; F1136-S1140 WeakPolarHBondContact O-CB 3.31Å; S1140-M1142 VanDerWaalsContact C-N 3.3Å; S1140-M1142 PolarHBondContact O-N 3.16Å |
| 1141 | N | 90.8 | Very high | 91.2 | Very high | 26 Ų | 26 | 20.5 Ų | 20.5 | 14% | 0.139 | 10% | 0.097 | C | C | . | . | trans | 61.2 | 33.8 | -177.6 | -168 | 41.1 | 0 | 0 | 0 | 114.5 | R102 L498 F1136 Q1137 E1143 Q1144 | R102-N1141 PolarHBondContact NH1-OD1 3.02Å; R102-N1141 VanDerWaalsContact NH2-CA 3.28Å; R102-N1141 PolarHBondContact NH2-OD1 3.24Å; L498-N1141 PolarHBondContact O-ND2 2.94Å; F1136-N1141 PolarHBondContact O-N 3.35Å; Q1137-N1141 WeakPolarHBondContact O-CA 3.36Å; Q1137-N1141 PolarHBondContact O-N 3.26Å; N1141-E1143 VanDerWaalsContact C-N 3.28Å; N1141-E1143 PolarHBondContact O-N 3.36Å; N1141-Q1144 PolarHBondContact ND2-OE1 3.46Å; N1141-Q1144 WeakPolarHBondContact O-CB 3.28Å; N1141-Q1144 PolarHBondContact O-N 3.41Å; N1141-Q1144 VanDerWaalsContact O-N 3.14Å | ||
| 1142 | M | 93.7 | Very high | 91.1 | Very high | 11 Ų | 11 | 24.9 Ų | 24.9 | 5% | 0.054 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -20.8 | -178.6 | -164.4 | -179.6 | 169.5 | 0 | 0 | 114 | L515 F516 E519 L1095 I1131 F1136 S1140 Q1144 | L515-M1142 HydrophobicContact CB-SD 4.05Å; F516-M1142 HydrophobicContact CB-CE 4.33Å; F516-M1142 HydrophobicContact CD2-CE 4.15Å; E519-M1142 HydrophobicContact CB-CE 3.84Å; E519-M1142 HydrophobicContact CB-SD 3.85Å; E519-M1142 HydrophobicContact CG-CE 4.08Å; E519-M1142 HydrophobicContact CG-SD 4.27Å; L1095-M1142 HydrophobicContact CD1-CE 4.28Å; L1095-M1142 WeakPolarHBondContact CD2-O 3.27Å; I1131-M1142 HydrophobicContact CD1-CB 4.04Å; I1131-M1142 HydrophobicContact CD1-CE 4.17Å; I1131-M1142 HydrophobicContact CD1-CG 3.69Å; I1131-M1142 HydrophobicContact CD1-SD 3.97Å; I1131-M1142 HydrophobicContact CG1-CB 4.19Å; I1131-M1142 HydrophobicContact CG1-CG 4.38Å; F1136-M1142 HydrophobicContact CB-CB 4.36Å; F1136-M1142 HydrophobicContact CB-SD 4.13Å; F1136-M1142 VanDerWaalsContact O-CB 3.27Å; F1136-M1142 WeakPolarHBondContact O-CB 3.44Å; F1136-M1142 PolarHBondContact O-N 2.76Å; S1140-M1142 VanDerWaalsContact C-N 3.3Å; S1140-M1142 PolarHBondContact O-N 3.16Å; M1142-Q1144 PolarHBondContact O-N 2.89Å |
| 1143 | E | 92.1 | Very high | 91 | Very high | 11 Ų | 11 | 20.1 Ų | 20.1 | 5% | 0.051 | 9% | 0.093 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | 0.3 | 172.2 | 65.2 | 162.2 | -156 | 0 | 0 | 113.3 | R102 P1128 P1129 I1131 Q1137 N1141 S1145 R1315 | R102-E1143 IonicContact CZ-OE1 3.08Å; R102-E1143 IonicContact NH1-OE1 2.72Å; R102-E1143 PolarHBondContact NH1-OE1 2.89Å; P1128-E1143 HydrophobicContact CB-CB 4.19Å; P1128-E1143 VanDerWaalsContact CB-O 3.26Å; P1128-E1143 WeakPolarHBondContact CB-O 3.37Å; P1128-E1143 HydrophobicContact CG-CB 4.32Å; P1129-E1143 VanDerWaalsContact CD-O 3.26Å; P1129-E1143 WeakPolarHBondContact CD-O 3.36Å; I1131-E1143 HydrophobicContact CG1-CB 3.95Å; Q1137-E1143 HydrophobicContact CG-CB 3.98Å; Q1137-E1143 HydrophobicContact CG-CG 3.81Å; Q1137-E1143 WeakPolarHBondContact CG-OE2 3.39Å; Q1137-E1143 PolarHBondContact NE2-OE2 2.86Å; N1141-E1143 VanDerWaalsContact C-N 3.28Å; N1141-E1143 PolarHBondContact O-N 3.36Å; E1143-S1145 PolarHBondContact O-N 3.11Å; E1143-R1315 IonicContact OE1-CZ 2.6Å; E1143-R1315 IonicContact OE1-NH1 3.56Å; E1143-R1315 PolarHBondContact OE1-NH1 2.77Å; E1143-R1315 IonicContact OE1-NH2 3.41Å; E1143-R1315 PolarHBondContact OE1-NH2 2.89Å; E1143-R1315 VanDerWaalsContact OE1-NH2 3.17Å; E1143-R1315 IonicContact OE2-NH2 3.38Å |
| 1144 | Q | 91.9 | Very high | 90.8 | Very high | 8 Ų | 8 | 20.6 Ų | 20.6 | 4% | 0.037 | 10% | 0.098 | C | C | . | . | trans | -77.5 | 121.4 | 173.5 | -179.7 | 171 | 32.8 | 0 | 0 | 109.8 | N1141 M1142 A1148 R1149 | N1141-Q1144 PolarHBondContact ND2-OE1 3.46Å; N1141-Q1144 WeakPolarHBondContact O-CB 3.28Å; N1141-Q1144 PolarHBondContact O-N 3.41Å; N1141-Q1144 VanDerWaalsContact O-N 3.14Å; M1142-Q1144 PolarHBondContact O-N 2.89Å; Q1144-A1148 HydrophobicContact CG-CB 4.48Å; Q1144-R1149 HydrophobicContact CG-CB 4.16Å; Q1144-R1149 VanDerWaalsContact NE2-CA 3.3Å | ||
| 1145 | S | 96.1 | Very high | 91.2 | Very high | 3 Ų | 3 | 17.9 Ų | 17.9 | 2% | 0.021 | 9% | 0.085 | C | C | . | . | trans | -78.5 | 156.6 | 166.8 | 55.6 | 0 | 0 | 0 | 0 | 111.6 | A1092 I1094 E1143 F1147 A1148 R1149 | A1092-S1145 WeakPolarHBondContact CA-OG 3.27Å; A1092-S1145 VanDerWaalsContact O-CB 3.28Å; A1092-S1145 WeakPolarHBondContact O-CB 3.45Å; A1092-S1145 PolarHBondContact O-OG 3.36Å; I1094-S1145 WeakPolarHBondContact O-CA 3.4Å; I1094-S1145 WeakPolarHBondContact O-CB 3.44Å; E1143-S1145 PolarHBondContact O-N 3.11Å; S1145-F1147 PolarHBondContact O-N 3.1Å; S1145-A1148 PolarHBondContact O-N 3.43Å; S1145-A1148 VanDerWaalsContact O-N 3.12Å; S1145-A1148 WeakPolarHBondContact OG-CB 3.22Å; S1145-A1148 PolarHBondContact OG-N 2.96Å; S1145-R1149 PolarHBondContact O-N 2.93Å | ||
| 1146 | L | 96.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -59.9 | -38.2 | 174.4 | -171.6 | 43.9 | 0 | 0 | 0 | 110.9 | L739 E1096 T1099 W1118 A1148 R1149 L1150 | L739-L1146 HydrophobicContact CD2-CD1 4.02Å; L739-L1146 HydrophobicContact CD2-CD2 4.07Å; E1096-L1146 HydrophobicContact CG-CB 3.57Å; E1096-L1146 HydrophobicContact CG-CD1 3.88Å; E1096-L1146 HydrophobicContact CG-CD2 4.38Å; E1096-L1146 HydrophobicContact CG-CG 4.14Å; E1096-L1146 WeakPolarHBondContact OE1-CD1 3.18Å; T1099-L1146 HydrophobicContact CG2-CB 4.01Å; T1099-L1146 HydrophobicContact CG2-CD2 4.15Å; T1099-L1146 HydrophobicContact CG2-CG 4.5Å; W1118-L1146 HydrophobicContact CH2-CD2 3.56Å; W1118-L1146 HydrophobicContact CH2-CG 4.17Å; W1118-L1146 HydrophobicContact CZ2-CD2 4.09Å; L1146-A1148 PolarHBondContact O-N 3.25Å; L1146-R1149 PolarHBondContact O-N 2.61Å; L1146-L1150 HydrophobicContact CD1-CD1 4.39Å; L1146-L1150 HydrophobicContact CD1-CG 4.2Å; L1146-L1150 HydrophobicContact CG-CD1 4.2Å; L1146-L1150 HydrophobicContact CG-CG 4.5Å; L1146-L1150 VanDerWaalsContact O-CG 3.28Å; L1146-L1150 WeakPolarHBondContact O-CG 3.44Å; L1146-L1150 PolarHBondContact O-N 3.21Å |
| 1147 | F | 97.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -53.5 | -54 | 171.6 | -175.5 | -83.6 | 0 | 0 | 0 | 111.6 | L850 I851 V852 A1091 A1092 L1120 G1122 H1124 S1145 R1149 L1150 V1151 | L850-F1147 HydrophobicContact CD1-CD2 3.28Å; L850-F1147 HydrophobicContact CD1-CE2 3.24Å; L850-F1147 HydrophobicContact CD1-CG 4.03Å; L850-F1147 HydrophobicContact CD1-CZ 3.95Å; L850-F1147 HydrophobicContact CG-CD2 4.37Å; L850-F1147 HydrophobicContact CG-CE2 3.91Å; L850-F1147 HydrophobicContact CG-CZ 4.22Å; I851-F1147 WeakPolarHBondContact O-CZ 3.34Å; V852-F1147 HydrophobicContact CG2-CE1 4.12Å; V852-F1147 HydrophobicContact CG2-CZ 3.8Å; A1091-F1147 HydrophobicContact CB-CB 4.02Å; A1091-F1147 HydrophobicContact CB-CD2 3.76Å; A1091-F1147 HydrophobicContact CB-CG 4.22Å; A1091-F1147 WeakPolarHBondContact O-CB 3.45Å; A1092-F1147 HydrophobicContact CB-CD1 3.9Å; A1092-F1147 HydrophobicContact CB-CE1 4.42Å; A1092-F1147 HydrophobicContact CB-CG 4.33Å; L1120-F1147 HydrophobicContact CB-CD2 3.98Å; L1120-F1147 HydrophobicContact CB-CE2 4.4Å; G1122-F1147 WeakPolarHBondContact O-CZ 3.41Å; H1124-F1147 HydrophobicContact CB-CD1 4.08Å; H1124-F1147 HydrophobicContact CB-CE1 4.07Å; S1145-F1147 PolarHBondContact O-N 3.1Å; F1147-R1149 VanDerWaalsContact C-N 3.3Å; F1147-R1149 PolarHBondContact O-N 2.97Å; F1147-L1150 PolarHBondContact O-N 3.48Å; F1147-V1151 HydrophobicContact CD1-CG2 4.15Å; F1147-V1151 HydrophobicContact CE1-CG2 3.91Å; F1147-V1151 WeakPolarHBondContact O-CG2 3.38Å; F1147-V1151 PolarHBondContact O-N 3.33Å |
| 1148 | A | 93.6 | Very high | 91.9 | Very high | 19 Ų | 19 | 21.6 Ų | 21.6 | 16% | 0.157 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -64.9 | -33.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | H1124 Q1144 S1145 L1146 R1152 | H1124-A1148 HydrophobicContact CB-CB 4.12Å; Q1144-A1148 HydrophobicContact CG-CB 4.48Å; S1145-A1148 PolarHBondContact O-N 3.43Å; S1145-A1148 VanDerWaalsContact O-N 3.12Å; S1145-A1148 WeakPolarHBondContact OG-CB 3.22Å; S1145-A1148 PolarHBondContact OG-N 2.96Å; L1146-A1148 PolarHBondContact O-N 3.25Å; A1148-R1152 WeakPolarHBondContact O-CB 3.41Å; A1148-R1152 VanDerWaalsContact O-CG 3.28Å; A1148-R1152 WeakPolarHBondContact O-CG 3.38Å; A1148-R1152 PolarHBondContact O-N 3.45Å |
| 1149 | R | 93.5 | Very high | 92.5 | Very high | 1 Ų | 1 | 19.8 Ų | 19.8 | 0% | 0.004 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -65.5 | -46.5 | 173.7 | -168.3 | 169.8 | 67.6 | 93.8 | -3.9 | 112.2 | G499 L500 L739 E1096 Q1144 S1145 L1146 F1147 V1151 R1152 L1153 | G499-R1149 VanDerWaalsContact O-CD 3.23Å; G499-R1149 WeakPolarHBondContact O-CD 3.42Å; L500-R1149 HydrophobicContact CD2-CG 3.93Å; L500-R1149 PolarHBondContact O-NH1 3.28Å; L739-R1149 PolarHBondContact O-NH1 3.09Å; L739-R1149 PolarHBondContact O-NH2 3.34Å; E1096-R1149 IonicContact OE1-CZ 3.61Å; E1096-R1149 IonicContact OE1-NE 3.69Å; E1096-R1149 PolarHBondContact OE1-NE 3.21Å; E1096-R1149 IonicContact OE1-NH2 2.78Å; E1096-R1149 PolarHBondContact OE1-NH2 3.07Å; E1096-R1149 IonicContact OE2-NE 2.69Å; Q1144-R1149 HydrophobicContact CG-CB 4.16Å; Q1144-R1149 VanDerWaalsContact NE2-CA 3.3Å; S1145-R1149 PolarHBondContact O-N 2.93Å; L1146-R1149 PolarHBondContact O-N 2.61Å; F1147-R1149 VanDerWaalsContact C-N 3.3Å; F1147-R1149 PolarHBondContact O-N 2.97Å; R1149-V1151 VanDerWaalsContact C-N 3.33Å; R1149-V1151 PolarHBondContact O-N 2.97Å; R1149-R1152 CarbonylContact O-C 3.55Å; R1149-R1152 PolarHBondContact O-N 2.81Å; R1149-R1152 VanDerWaalsContact O-N 3.11Å; R1149-L1153 HydrophobicContact CG-CD1 4.17Å; R1149-L1153 HydrophobicContact CG-CG 4.42Å; R1149-L1153 WeakPolarHBondContact O-CB 3.4Å; R1149-L1153 WeakPolarHBondContact O-CG 3.25Å; R1149-L1153 PolarHBondContact O-N 3.47Å |
| 1150 | L | 94.3 | Very high | 93 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -62.2 | -40.4 | 177.4 | -66.6 | 168.3 | 0 | 0 | 0 | 111.7 | V738 L848 L850 L1120 L1146 F1147 R1152 L1153 G1154 V1155 | V738-L1150 HydrophobicContact CG1-CD2 3.88Å; L848-L1150 HydrophobicContact CD2-CD1 4.2Å; L848-L1150 HydrophobicContact CD2-CD2 4.35Å; L850-L1150 HydrophobicContact CD2-CB 4.35Å; L1120-L1150 HydrophobicContact CD1-CD1 3.65Å; L1146-L1150 HydrophobicContact CD1-CD1 4.39Å; L1146-L1150 HydrophobicContact CD1-CG 4.2Å; L1146-L1150 HydrophobicContact CG-CD1 4.2Å; L1146-L1150 HydrophobicContact CG-CG 4.5Å; L1146-L1150 VanDerWaalsContact O-CG 3.28Å; L1146-L1150 WeakPolarHBondContact O-CG 3.44Å; L1146-L1150 PolarHBondContact O-N 3.21Å; F1147-L1150 PolarHBondContact O-N 3.48Å; L1150-R1152 VanDerWaalsContact C-N 3.34Å; L1150-R1152 PolarHBondContact O-N 2.93Å; L1150-L1153 HydrophobicContact CD2-CD1 4.48Å; L1150-L1153 CarbonylContact O-C 3.53Å; L1150-L1153 PolarHBondContact O-N 3.49Å; L1150-G1154 PolarHBondContact O-N 3.42Å; L1150-V1155 HydrophobicContact CB-CB 4.26Å; L1150-V1155 HydrophobicContact CB-CG2 4Å; L1150-V1155 HydrophobicContact CD2-CG2 3.91Å; L1150-V1155 WeakPolarHBondContact O-CB 3.43Å; L1150-V1155 WeakPolarHBondContact O-CG2 3.45Å; L1150-V1155 PolarHBondContact O-N 3.38Å; L1150-V1155 VanDerWaalsContact O-N 3.09Å |
| 1151 | V | 91.8 | Very high | 93.1 | Very high | 9 Ų | 9 | 20.6 Ų | 20.6 | 6% | 0.055 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -58.1 | -46.3 | 171.6 | 172.9 | 0 | 0 | 0 | 0 | 111.1 | L850 F1147 R1149 L1153 G1154 | L850-V1151 HydrophobicContact CD2-CB 4.46Å; L850-V1151 HydrophobicContact CD2-CG2 3.5Å; L850-V1151 HydrophobicContact CG-CG2 4.41Å; F1147-V1151 HydrophobicContact CD1-CG2 4.15Å; F1147-V1151 HydrophobicContact CE1-CG2 3.91Å; F1147-V1151 WeakPolarHBondContact O-CG2 3.38Å; F1147-V1151 PolarHBondContact O-N 3.33Å; R1149-V1151 VanDerWaalsContact C-N 3.33Å; R1149-V1151 PolarHBondContact O-N 2.97Å; V1151-L1153 VanDerWaalsContact C-N 3.31Å; V1151-L1153 PolarHBondContact O-N 3.24Å; V1151-G1154 PolarHBondContact O-N 2.86Å; V1151-G1154 VanDerWaalsContact O-N 3.09Å |
| 1152 | R | 87.5 | Confident | 93.4 | Very high | 104 Ų | 104 | 22 Ų | 22 | 39% | 0.392 | 11% | 0.11 | S | C | . | . | H | α-helix | trans | -69.8 | -26.9 | 178.1 | -72.5 | 173.6 | 67 | -165.8 | 4.3 | 113.3 | P155 L500 A1148 R1149 L1150 G1154 | P155-R1152 WeakPolarHBondContact CD-O 3.3Å; P155-R1152 WeakPolarHBondContact CG-O 3.44Å; L500-R1152 HydrophobicContact CD2-CB 3.74Å; A1148-R1152 WeakPolarHBondContact O-CB 3.41Å; A1148-R1152 VanDerWaalsContact O-CG 3.28Å; A1148-R1152 WeakPolarHBondContact O-CG 3.38Å; A1148-R1152 PolarHBondContact O-N 3.45Å; R1149-R1152 CarbonylContact O-C 3.55Å; R1149-R1152 PolarHBondContact O-N 2.81Å; R1149-R1152 VanDerWaalsContact O-N 3.11Å; L1150-R1152 VanDerWaalsContact C-N 3.34Å; L1150-R1152 PolarHBondContact O-N 2.93Å; R1152-G1154 PolarHBondContact O-N 2.82Å |
| 1153 | L | 86.8 | Confident | 93.5 | Very high | 9 Ų | 9 | 21.5 Ų | 21.5 | 5% | 0.047 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75 | -4.1 | 171.1 | -76.7 | 172.1 | 0 | 0 | 0 | 112.6 | P155 L500 P745 R1149 L1150 V1151 V1155 | P155-L1153 WeakPolarHBondContact CB-O 3.42Å; P155-L1153 WeakPolarHBondContact CG-O 3.37Å; L500-L1153 HydrophobicContact CB-CD2 4.03Å; P745-L1153 VanDerWaalsContact CB-O 3.26Å; P745-L1153 WeakPolarHBondContact CB-O 3.4Å; P745-L1153 WeakPolarHBondContact CG-O 3.38Å; R1149-L1153 HydrophobicContact CG-CD1 4.17Å; R1149-L1153 HydrophobicContact CG-CG 4.42Å; R1149-L1153 WeakPolarHBondContact O-CB 3.4Å; R1149-L1153 WeakPolarHBondContact O-CG 3.25Å; R1149-L1153 PolarHBondContact O-N 3.47Å; L1150-L1153 HydrophobicContact CD2-CD1 4.48Å; L1150-L1153 CarbonylContact O-C 3.53Å; L1150-L1153 PolarHBondContact O-N 3.49Å; V1151-L1153 VanDerWaalsContact C-N 3.31Å; V1151-L1153 PolarHBondContact O-N 3.24Å; L1153-V1155 VanDerWaalsContact C-N 3.31Å; L1153-V1155 HydrophobicContact CB-CG2 4.41Å |
| 1154 | G | 84.5 | Confident | 93.5 | Very high | 10 Ų | 10 | 21.8 Ų | 21.8 | 10% | 0.103 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.4 | 21.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | L1150 V1151 R1152 | L1150-G1154 PolarHBondContact O-N 3.42Å; V1151-G1154 PolarHBondContact O-N 2.86Å; V1151-G1154 VanDerWaalsContact O-N 3.09Å; R1152-G1154 PolarHBondContact O-N 2.82Å |
| 1155 | V | 92.1 | Very high | 93.4 | Very high | 3 Ų | 3 | 23.9 Ų | 23.9 | 2% | 0.018 | 12% | 0.121 | C | C | . | . | trans | -59.7 | 132.1 | 172 | 176.9 | 0 | 0 | 0 | 0 | 108.7 | V738 P745 L848 L1150 L1153 R1157 | V738-V1155 HydrophobicContact CG1-CG2 3.79Å; P745-V1155 HydrophobicContact CB-CG2 4.29Å; L848-V1155 HydrophobicContact CD2-CG1 3.77Å; L848-V1155 HydrophobicContact CG-CG1 4.33Å; L1150-V1155 HydrophobicContact CB-CB 4.26Å; L1150-V1155 HydrophobicContact CB-CG2 4Å; L1150-V1155 HydrophobicContact CD2-CG2 3.91Å; L1150-V1155 WeakPolarHBondContact O-CB 3.43Å; L1150-V1155 WeakPolarHBondContact O-CG2 3.45Å; L1150-V1155 PolarHBondContact O-N 3.38Å; L1150-V1155 VanDerWaalsContact O-N 3.09Å; L1153-V1155 VanDerWaalsContact C-N 3.31Å; L1153-V1155 HydrophobicContact CB-CG2 4.41Å; V1155-R1157 PolarHBondContact O-N 2.84Å | ||
| 1156 | P | 94 | Very high | 93.3 | Very high | 33 Ų | 33 | 23.8 Ų | 23.8 | 21% | 0.214 | 12% | 0.12 | C | C | . | . | trans | -52.9 | 136.7 | 177.1 | -28.5 | 36.2 | 0 | 0 | 0 | 111.9 | P745 T746 H749 | P745-P1156 WeakPolarHBondContact O-CD 3.13Å; T746-P1156 HydrophobicContact CG2-CG 3.62Å; H749-P1156 HydrophobicContact CB-CB 4.37Å; H749-P1156 HydrophobicContact CB-CG 4.04Å | ||
| 1157 | R | 94.5 | Very high | 93.2 | Very high | 76 Ų | 76 | 24 Ų | 24 | 29% | 0.287 | 12% | 0.121 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 147.5 | -177.4 | 72 | -168.8 | -175.2 | -102.2 | 1.9 | 111.8 | L850 V852 V1155 N1159 | L850-R1157 HydrophobicContact CB-CB 3.85Å; L850-R1157 HydrophobicContact CD2-CB 3.86Å; L850-R1157 HydrophobicContact CG-CB 3.99Å; L850-R1157 CarbonylContact O-C 3.52Å; L850-R1157 WeakPolarHBondContact O-CA 3.33Å; L850-R1157 WeakPolarHBondContact O-CB 3.44Å; V852-R1157 HydrophobicContact CG2-CG 4.31Å; V1155-R1157 PolarHBondContact O-N 2.84Å; R1157-N1159 PolarHBondContact NE-OD1 3.46Å |
| 1158 | V | 96.7 | Very high | 93 | Very high | 17 Ų | 17 | 26.6 Ų | 26.6 | 10% | 0.103 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 124.4 | 171 | -172.7 | 0 | 0 | 0 | 0 | 107.9 | A835 E838 A839 L850 I851 V852 | A835-V1158 VanDerWaalsContact O-CG1 3.24Å; A835-V1158 WeakPolarHBondContact O-CG1 3.36Å; E838-V1158 HydrophobicContact CB-CG1 4.46Å; E838-V1158 HydrophobicContact CG-CG1 4.44Å; E838-V1158 HydrophobicContact CG-CG2 4.04Å; A839-V1158 HydrophobicContact CB-CB 4.25Å; A839-V1158 HydrophobicContact CB-CG1 3.93Å; L850-V1158 PolarHBondContact O-N 3.32Å; I851-V1158 WeakPolarHBondContact CA-O 3.44Å; V852-V1158 PolarHBondContact N-O 2.66Å |
| 1159 | N | 95.9 | Very high | 92.8 | Very high | 49 Ų | 49 | 27.2 Ų | 27.2 | 26% | 0.262 | 14% | 0.141 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 118.7 | 174.7 | -54.6 | -79.1 | 0 | 0 | 0 | 107.8 | R1157 | R1157-N1159 PolarHBondContact NE-OD1 3.46Å |
| 1160 | L | 97.2 | Very high | 92.7 | Very high | 3 Ų | 3 | 27.2 Ų | 27.2 | 2% | 0.016 | 14% | 0.141 | C | C | . | . | P | Polyproline II helix | trans | -71.7 | 135.8 | 173.6 | -51.2 | -177.5 | 0 | 0 | 0 | 109.2 | Q836 A839 I851 V852 P854 T857 K859 V862 | Q836-L1160 HydrophobicContact CG-CD2 3.89Å; A839-L1160 HydrophobicContact CB-CD2 4.08Å; I851-L1160 HydrophobicContact CG2-CD1 4.08Å; I851-L1160 HydrophobicContact CG2-CD2 4.09Å; I851-L1160 HydrophobicContact CG2-CG 3.96Å; V852-L1160 PolarHBondContact O-N 2.91Å; P854-L1160 VanDerWaalsContact CD-O 3.27Å; P854-L1160 WeakPolarHBondContact CD-O 3.25Å; P854-L1160 WeakPolarHBondContact CG-O 3.36Å; T857-L1160 HydrophobicContact CG2-CB 4.24Å; T857-L1160 WeakPolarHBondContact O-CD1 3.27Å; K859-L1160 HydrophobicContact CG-CD1 4.41Å; V862-L1160 HydrophobicContact CG2-CD1 4.42Å |
| 1161 | D | 95.5 | Very high | 92.6 | Very high | 40 Ų | 40 | 27.4 Ų | 27.4 | 21% | 0.214 | 14% | 0.143 | C | C | . | . | trans | -122.7 | -3.9 | -159.1 | 59.1 | -6.5 | 0 | 0 | 0 | 114.7 | A835 L1181 D1182 | A835-D1161 WeakPolarHBondContact CB-OD1 3.38Å; D1161-L1181 CarbonylContact O-C 3.55Å; D1161-L1181 WeakPolarHBondContact O-CA 3.41Å; D1161-D1182 PolarHBondContact O-N 3.28Å | ||
| 1162 | M | 96.2 | Very high | 92.5 | Very high | 56 Ų | 56 | 28.2 Ų | 28.2 | 28% | 0.276 | 15% | 0.151 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 117.6 | -178.6 | -61.8 | -72.7 | 169.4 | 0 | 0 | 111.3 | T833 T857 D1182 L1184 | T833-M1162 HydrophobicContact CG2-CB 3.9Å; T833-M1162 HydrophobicContact CG2-CG 3.91Å; T857-M1162 WeakPolarHBondContact CA-O 3.38Å; M1162-D1182 CarbonylContact C-O 3.5Å; M1162-D1182 WeakPolarHBondContact CA-O 3.48Å; M1162-D1182 HydrophobicContact CE-CB 4.23Å; M1162-D1182 HydrophobicContact SD-CB 3.84Å; M1162-L1184 HydrophobicContact CB-CD2 3.68Å; M1162-L1184 HydrophobicContact CB-CG 3.85Å; M1162-L1184 HydrophobicContact CG-CD2 4.37Å |
| 1163 | Q | 95 | Very high | 92.5 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 133.1 | 176.7 | 79.8 | 81.6 | 23.7 | 0 | 0 | 111.5 | T857 A1166 A1171 L1181 D1182 N1183 L1184 | T857-Q1163 HydrophobicContact CG2-CB 4.36Å; Q1163-A1166 PolarHBondContact NE2-O 2.9Å; Q1163-A1171 HydrophobicContact CG-CB 4Å; Q1163-L1181 HydrophobicContact CB-CD1 4.17Å; Q1163-D1182 PolarHBondContact N-O 3.46Å; Q1163-N1183 PolarHBondContact NE2-OD1 2.85Å; Q1163-N1183 WeakPolarHBondContact O-CA 3.34Å; Q1163-L1184 PolarHBondContact O-N 2.96Å |
| 1164 | G | 93.3 | Very high | 92.5 | Very high | 17 Ų | 17 | 23.3 Ų | 23.3 | 18% | 0.175 | 13% | 0.132 | C | C | . | . | trans | -116.7 | 25.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | G856 H1186 I1187 | G856-G1164 PolarHBondContact O-N 2.86Å; G1164-H1186 PolarHBondContact O-NE2 3.07Å; G1164-I1187 VanDerWaalsContact C-CD1 3.49Å; G1164-I1187 WeakPolarHBondContact O-CD1 3.48Å | ||
| 1165 | R | 90.1 | Very high | 92.7 | Very high | 53 Ų | 53 | 24.3 Ų | 24.3 | 20% | 0.2 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -115 | -41.7 | -166.2 | 175.2 | -175.4 | -67.1 | -149.2 | -7.5 | 114.2 | K1325 | R1165-K1325 HydrophobicContact CG-CG 4.49Å; R1165-K1325 WeakPolarHBondContact O-CB 3.23Å; R1165-K1325 WeakPolarHBondContact O-CG 3.4Å |
| 1166 | A | 93.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -122.7 | 161.4 | -171.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q1163 L1170 I1187 K1325 | Q1163-A1166 PolarHBondContact NE2-O 2.9Å; A1166-L1170 HydrophobicContact CB-CB 4.19Å; A1166-I1187 WeakPolarHBondContact O-CG2 3.03Å; A1166-K1325 WeakPolarHBondContact CA-O 3.24Å |
| 1167 | R | 93.7 | Very high | 91.6 | Very high | 6 Ų | 6 | 28.5 Ų | 28.5 | 2% | 0.023 | 15% | 0.149 | C | C | . | . | trans | -55.7 | 149.1 | 168.7 | -70.4 | -179.9 | 178.5 | 173 | -2 | 111.1 | S1169 L1170 A1171 E1192 Y1193 L1195 N1197 E1203 K1325 L1326 | R1167-S1169 PolarHBondContact O-N 3.31Å; R1167-L1170 HydrophobicContact CB-CB 4.46Å; R1167-L1170 HydrophobicContact CB-CD1 4.33Å; R1167-L1170 HydrophobicContact CB-CG 4.29Å; R1167-L1170 PolarHBondContact O-N 3.08Å; R1167-A1171 WeakPolarHBondContact O-CB 3.12Å; R1167-A1171 PolarHBondContact O-N 2.95Å; R1167-E1192 PolarHBondContact NH2-O 2.99Å; R1167-Y1193 HydrophobicContact CG-CD1 3.89Å; R1167-Y1193 PolarHBondContact NE-O 2.82Å; R1167-L1195 PolarHBondContact NH1-O 3Å; R1167-L1195 PolarHBondContact NH2-O 3.09Å; R1167-N1197 PolarHBondContact NH1-OD1 3.2Å; R1167-N1197 PolarHBondContact NH2-OD1 3.25Å; R1167-E1203 VanDerWaalsContact NH1-CB 3.29Å; R1167-K1325 PolarHBondContact N-O 3.02Å; R1167-L1326 PolarHBondContact NH1-O 3.42Å; R1167-L1326 VanDerWaalsContact NH1-O 3.16Å | ||
| 1168 | P | 92.2 | Very high | 91.3 | Very high | 53 Ų | 53 | 25.6 Ų | 25.6 | 34% | 0.344 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -56.5 | -35.9 | 176.6 | -26.5 | 36.7 | 0 | 0 | 0 | 113.1 | A1171 A1172 I1187 | P1168-A1171 PolarHBondContact O-N 2.81Å; P1168-A1172 WeakPolarHBondContact O-CB 3.47Å; P1168-A1172 PolarHBondContact O-N 3.46Å; P1168-I1187 HydrophobicContact CG-CG2 4.01Å |
| 1169 | S | 90 | Very high | 90.5 | Very high | 33 Ų | 33 | 28.3 Ų | 28.3 | 23% | 0.231 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -67.4 | -34.5 | 177.5 | 58.4 | 0 | 0 | 0 | 0 | 113.6 | R1167 E1203 | R1167-S1169 PolarHBondContact O-N 3.31Å; S1169-E1203 WeakPolarHBondContact CB-OE1 3.44Å; S1169-E1203 PolarHBondContact OG-OE1 3.3Å |
| 1170 | L | 92.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -76 | -42 | 172.7 | -67.2 | 177 | 0 | 0 | 0 | 111.5 | A1166 R1167 A1172 L1173 Y1204 A1324 K1325 L1328 | A1166-L1170 HydrophobicContact CB-CB 4.19Å; R1167-L1170 HydrophobicContact CB-CB 4.46Å; R1167-L1170 HydrophobicContact CB-CD1 4.33Å; R1167-L1170 HydrophobicContact CB-CG 4.29Å; R1167-L1170 PolarHBondContact O-N 3.08Å; L1170-A1172 PolarHBondContact O-N 3.24Å; L1170-L1173 HydrophobicContact CD2-CD1 4.19Å; L1170-L1173 VanDerWaalsContact O-CB 3.22Å; L1170-L1173 WeakPolarHBondContact O-CB 3.37Å; L1170-L1173 WeakPolarHBondContact O-CG 3.36Å; L1170-L1173 PolarHBondContact O-N 3.32Å; L1170-Y1204 HydrophobicContact CD2-CD1 4Å; L1170-Y1204 HydrophobicContact CD2-CG 4.12Å; L1170-A1324 HydrophobicContact CD1-CB 4.25Å; L1170-K1325 WeakPolarHBondContact CD1-O 3.46Å; L1170-L1328 HydrophobicContact CD2-CB 3.74Å; L1170-L1328 HydrophobicContact CD2-CD2 4.45Å |
| 1171 | A | 92 | Very high | 89.6 | Confident | 4 Ų | 4 | 36.5 Ų | 36.5 | 3% | 0.033 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59.3 | -36.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q1163 R1167 P1168 L1173 Y1174 S1175 | Q1163-A1171 HydrophobicContact CG-CB 4Å; R1167-A1171 WeakPolarHBondContact O-CB 3.12Å; R1167-A1171 PolarHBondContact O-N 2.95Å; P1168-A1171 PolarHBondContact O-N 2.81Å; A1171-L1173 PolarHBondContact O-N 2.94Å; A1171-L1173 VanDerWaalsContact O-N 3.14Å; A1171-Y1174 HydrophobicContact CB-CE1 4.47Å; A1171-Y1174 PolarHBondContact O-N 3.07Å; A1171-S1175 WeakPolarHBondContact O-CB 3.43Å; A1171-S1175 PolarHBondContact O-N 2.72Å; A1171-S1175 PolarHBondContact O-OG 3.41Å |
| 1172 | A | 89.1 | Confident | 89.5 | Confident | 27 Ų | 27 | 38.9 Ų | 38.9 | 22% | 0.223 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -58.8 | -23.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | P1168 L1170 Y1174 S1175 Q1367 | P1168-A1172 WeakPolarHBondContact O-CB 3.47Å; P1168-A1172 PolarHBondContact O-N 3.46Å; L1170-A1172 PolarHBondContact O-N 3.24Å; A1172-Y1174 PolarHBondContact O-N 3.06Å; A1172-S1175 WeakPolarHBondContact CA-OG 2.87Å; A1172-Q1367 PolarHBondContact O-OE1 2.98Å |
| 1173 | L | 87.8 | Confident | 89.4 | Confident | 9 Ų | 9 | 37.9 Ų | 37.9 | 5% | 0.047 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -68.4 | -15.7 | 176.5 | -57.2 | 178.2 | 0 | 0 | 0 | 113.5 | L1170 A1171 W1176 Y1204 M1321 L1328 Q1367 L1368 | L1170-L1173 HydrophobicContact CD2-CD1 4.19Å; L1170-L1173 VanDerWaalsContact O-CB 3.22Å; L1170-L1173 WeakPolarHBondContact O-CB 3.37Å; L1170-L1173 WeakPolarHBondContact O-CG 3.36Å; L1170-L1173 PolarHBondContact O-N 3.32Å; A1171-L1173 PolarHBondContact O-N 2.94Å; A1171-L1173 VanDerWaalsContact O-N 3.14Å; L1173-W1176 PolarHBondContact O-NE1 2.6Å; L1173-Y1204 HydrophobicContact CD1-CD1 4.48Å; L1173-Y1204 HydrophobicContact CD1-CD2 4.22Å; L1173-Y1204 HydrophobicContact CD1-CE2 4.48Å; L1173-Y1204 HydrophobicContact CD1-CG 4.25Å; L1173-Y1204 HydrophobicContact CD2-CD2 4.49Å; L1173-Y1204 HydrophobicContact CD2-CE1 4.42Å; L1173-Y1204 HydrophobicContact CD2-CE2 3.95Å; L1173-M1321 HydrophobicContact CB-CB 4.09Å; L1173-M1321 HydrophobicContact CB-CG 4.36Å; L1173-M1321 HydrophobicContact CD1-SD 4.3Å; L1173-L1328 HydrophobicContact CD1-CD2 3.84Å; L1173-Q1367 HydrophobicContact CD2-CG 4.27Å; L1173-L1368 HydrophobicContact CD1-CD2 4.14Å; L1173-L1368 HydrophobicContact CD2-CD2 3.78Å; L1173-L1368 HydrophobicContact CD2-CG 4.02Å |
| 1174 | Y | 87.7 | Confident | 89.4 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -134.7 | -13.2 | 178.2 | 61.1 | -98.5 | 0 | 0 | 0 | 114.7 | P855 A1171 A1172 W1176 R1177 Y1178 L1181 M1321 | P855-Y1174 HydrophobicContact CB-CE2 4.22Å; P855-Y1174 HydrophobicContact CG-CD2 4.4Å; P855-Y1174 HydrophobicContact CG-CE2 4.18Å; A1171-Y1174 HydrophobicContact CB-CE1 4.47Å; A1171-Y1174 PolarHBondContact O-N 3.07Å; A1172-Y1174 PolarHBondContact O-N 3.06Å; Y1174-W1176 PolarHBondContact O-N 3.26Å; Y1174-R1177 WeakPolarHBondContact O-CB 3.39Å; Y1174-R1177 PolarHBondContact O-N 2.85Å; Y1174-R1177 VanDerWaalsContact O-N 3.13Å; Y1174-Y1178 HydrophobicContact CD2-CE2 4.07Å; Y1174-Y1178 WeakPolarHBondContact O-CD2 3.02Å; Y1174-L1181 HydrophobicContact CD2-CD2 4.34Å; Y1174-L1181 HydrophobicContact CE2-CD2 4.03Å; Y1174-M1321 HydrophobicContact CD1-CB 4.34Å |
| 1175 | S | 88.9 | Confident | 89.3 | Confident | 31 Ų | 31 | 42.5 Ų | 42.5 | 22% | 0.217 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.7 | -27.5 | -176 | 66.4 | 0 | 0 | 0 | 0 | 113.6 | A1171 A1172 R1177 Y1178 | A1171-S1175 WeakPolarHBondContact O-CB 3.43Å; A1171-S1175 PolarHBondContact O-N 2.72Å; A1171-S1175 PolarHBondContact O-OG 3.41Å; A1172-S1175 WeakPolarHBondContact CA-OG 2.87Å; S1175-R1177 PolarHBondContact O-N 2.85Å; S1175-Y1178 PolarHBondContact O-N 2.88Å; S1175-Y1178 VanDerWaalsContact O-O 3.07Å |
| 1176 | W | 81.4 | Confident | 89.3 | Confident | 56 Ų | 56 | 42.5 Ų | 42.5 | 21% | 0.212 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55 | -21 | 173.9 | 58.2 | -100.2 | 0 | 0 | 0 | 113.8 | L1173 Y1174 Y1178 L1314 V1318 H1346 I1348 | L1173-W1176 PolarHBondContact O-NE1 2.6Å; Y1174-W1176 PolarHBondContact O-N 3.26Å; W1176-Y1178 VanDerWaalsContact C-N 3.3Å; W1176-L1314 HydrophobicContact CH2-CD1 4.49Å; W1176-L1314 HydrophobicContact CH2-CD2 4.33Å; W1176-V1318 HydrophobicContact CH2-CG2 4.33Å; W1176-V1318 HydrophobicContact CZ2-CG2 4.21Å; W1176-H1346 VanDerWaalsContact CB-O 3.3Å; W1176-H1346 WeakPolarHBondContact CB-O 3.37Å; W1176-H1346 HydrophobicContact CD2-CB 4.23Å; W1176-H1346 VanDerWaalsContact CD2-O 3.25Å; W1176-H1346 HydrophobicContact CE3-CB 3.48Å; W1176-H1346 VanDerWaalsContact CE3-CB 3.48Å; W1176-H1346 AromaticContact CE3-CG 3.99Å; W1176-H1346 HydrophobicContact CH2-CB 4.22Å; W1176-H1346 HydrophobicContact CZ3-CB 3.43Å; W1176-H1346 VanDerWaalsContact CZ3-CB 3.43Å; W1176-H1346 AromaticContact CZ3-CG 3.63Å; W1176-I1348 HydrophobicContact CD2-CG1 4.15Å; W1176-I1348 HydrophobicContact CH2-CD1 3.64Å; W1176-I1348 HydrophobicContact CH2-CG1 4.24Å; W1176-I1348 HydrophobicContact CZ2-CD1 3.15Å; W1176-I1348 HydrophobicContact CZ2-CG1 3.63Å; W1176-I1348 HydrophobicContact CZ3-CD1 4.49Å |
| 1177 | R | 81.5 | Confident | 89 | Confident | 69 Ų | 69 | 42.6 Ų | 42.6 | 26% | 0.26 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -17.8 | 178.1 | -169.9 | 56.3 | 177.9 | -177.5 | -2.3 | 112.6 | H1125 Y1174 S1175 V1318 | H1125-R1177 HydrophobicContact CB-CG 3.77Å; H1125-R1177 PolarHBondContact ND1-NE 3.46Å; Y1174-R1177 WeakPolarHBondContact O-CB 3.39Å; Y1174-R1177 PolarHBondContact O-N 2.85Å; Y1174-R1177 VanDerWaalsContact O-N 3.13Å; S1175-R1177 PolarHBondContact O-N 2.85Å; R1177-V1318 HydrophobicContact CB-CG2 4.24Å; R1177-V1318 HydrophobicContact CG-CG2 4.22Å |
| 1178 | Y | 86.6 | Confident | 88.6 | Confident | 14 Ų | 14 | 46.5 Ų | 46.5 | 6% | 0.055 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -116 | 132.4 | -171.2 | -55.8 | -80.5 | 0 | 0 | 0 | 110.6 | P854 P855 D1123 H1125 Y1174 S1175 W1176 R1180 L1181 V1318 | P854-Y1178 HydrophobicContact CB-CD1 3.78Å; P854-Y1178 HydrophobicContact CB-CD2 4.17Å; P854-Y1178 HydrophobicContact CB-CE1 3.7Å; P854-Y1178 HydrophobicContact CB-CE2 4.13Å; P854-Y1178 HydrophobicContact CB-CG 3.99Å; P854-Y1178 HydrophobicContact CG-CD1 3.44Å; P854-Y1178 VanDerWaalsContact CG-CD1 3.44Å; P854-Y1178 HydrophobicContact CG-CD2 4.49Å; P854-Y1178 HydrophobicContact CG-CE1 3.77Å; P854-Y1178 HydrophobicContact CG-CG 3.82Å; P855-Y1178 WeakPolarHBondContact CD-OH 3.35Å; D1123-Y1178 PolarHBondContact OD2-OH 2.79Å; H1125-Y1178 HydrophobicContact CB-CE1 3.9Å; H1125-Y1178 AromaticContact CD2-CD1 3.85Å; H1125-Y1178 AromaticContact CD2-CE1 3.81Å; Y1174-Y1178 HydrophobicContact CD2-CE2 4.07Å; Y1174-Y1178 WeakPolarHBondContact O-CD2 3.02Å; S1175-Y1178 PolarHBondContact O-N 2.88Å; S1175-Y1178 VanDerWaalsContact O-O 3.07Å; W1176-Y1178 VanDerWaalsContact C-N 3.3Å; Y1178-R1180 PolarHBondContact O-N 2.86Å; Y1178-R1180 VanDerWaalsContact O-N 3.14Å; Y1178-L1181 HydrophobicContact CD2-CD2 3.69Å; Y1178-L1181 HydrophobicContact CE2-CD2 4.36Å; Y1178-L1181 HydrophobicContact CG-CD2 4.16Å; Y1178-V1318 HydrophobicContact CE2-CG1 4.31Å; Y1178-V1318 VanDerWaalsContact OH-CG1 3.25Å; Y1178-V1318 WeakPolarHBondContact OH-CG1 3.27Å |
| 1179 | P | 79.6 | Confident | 88.5 | Confident | 75 Ų | 75 | 50.9 Ų | 50.9 | 49% | 0.487 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | 116.1 | 174.5 | -18.1 | 30.8 | 0 | 0 | 0 | 110.6 | ||
| 1180 | R | 83.1 | Confident | 88.5 | Confident | 202 Ų | 202 | 55.9 Ų | 55.9 | 76% | 0.762 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.7 | 34.7 | 173.9 | -53 | -179.2 | -67.4 | -91.4 | -0.2 | 115.6 | Y1178 D1182 | Y1178-R1180 PolarHBondContact O-N 2.86Å; Y1178-R1180 VanDerWaalsContact O-N 3.14Å; R1180-D1182 PolarHBondContact O-N 3.31Å |
| 1181 | L | 91.2 | Very high | 88.3 | Confident | 21 Ų | 21 | 60.4 Ų | 60.4 | 11% | 0.11 | 30% | 0.302 | C | S | . | . | trans | -76.2 | 114.2 | 172.7 | -176.1 | 65.5 | 0 | 0 | 0 | 111.3 | P854 T857 D1161 Q1163 Y1174 Y1178 | P854-L1181 HydrophobicContact CB-CD1 4.09Å; P854-L1181 HydrophobicContact CB-CD2 3.89Å; P854-L1181 HydrophobicContact CG-CD1 4.15Å; P854-L1181 HydrophobicContact CG-CD2 4.48Å; T857-L1181 HydrophobicContact CG2-CD1 3.75Å; D1161-L1181 CarbonylContact O-C 3.55Å; D1161-L1181 WeakPolarHBondContact O-CA 3.41Å; Q1163-L1181 HydrophobicContact CB-CD1 4.17Å; Y1174-L1181 HydrophobicContact CD2-CD2 4.34Å; Y1174-L1181 HydrophobicContact CE2-CD2 4.03Å; Y1178-L1181 HydrophobicContact CD2-CD2 3.69Å; Y1178-L1181 HydrophobicContact CE2-CD2 4.36Å; Y1178-L1181 HydrophobicContact CG-CD2 4.16Å | ||
| 1182 | D | 94.2 | Very high | 88.1 | Confident | 91 Ų | 91 | 64.1 Ų | 64.1 | 49% | 0.487 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | -167 | 176.8 | -154.3 | -16.9 | 0 | 0 | 0 | 111.2 | D1161 M1162 Q1163 R1180 | D1161-D1182 PolarHBondContact O-N 3.28Å; M1162-D1182 CarbonylContact C-O 3.5Å; M1162-D1182 WeakPolarHBondContact CA-O 3.48Å; M1162-D1182 HydrophobicContact CE-CB 4.23Å; M1162-D1182 HydrophobicContact SD-CB 3.84Å; Q1163-D1182 PolarHBondContact N-O 3.46Å; R1180-D1182 PolarHBondContact O-N 3.31Å |
| 1183 | N | 94.8 | Very high | 88.2 | Confident | 35 Ų | 35 | 64.1 Ų | 64.1 | 19% | 0.187 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 140.2 | -168.7 | -55.2 | -88.4 | 0 | 0 | 0 | 111.9 | Q1163 | Q1163-N1183 PolarHBondContact NE2-OD1 2.85Å; Q1163-N1183 WeakPolarHBondContact O-CA 3.34Å |
| 1184 | L | 93.8 | Very high | 88.3 | Confident | 34 Ų | 34 | 67.3 Ų | 67.3 | 18% | 0.178 | 33% | 0.328 | C | S | . | . | trans | -68.1 | 148.7 | 171.8 | -77.2 | 174.8 | 0 | 0 | 0 | 111.8 | T833 M1162 Q1163 H1186 I1187 | T833-L1184 HydrophobicContact CG2-CD2 3.6Å; M1162-L1184 HydrophobicContact CB-CD2 3.68Å; M1162-L1184 HydrophobicContact CB-CG 3.85Å; M1162-L1184 HydrophobicContact CG-CD2 4.37Å; Q1163-L1184 PolarHBondContact O-N 2.96Å; L1184-H1186 VanDerWaalsContact C-N 3.29Å; L1184-H1186 PolarHBondContact O-N 3.42Å; L1184-H1186 VanDerWaalsContact O-N 3.15Å; L1184-I1187 WeakPolarHBondContact O-CB 3.37Å; L1184-I1187 PolarHBondContact O-N 3.16Å; L1184-I1187 VanDerWaalsContact O-N 3.09Å | ||
| 1185 | P | 91.2 | Very high | 88.4 | Confident | 79 Ų | 79 | 69.6 Ų | 69.6 | 51% | 0.513 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -55.7 | -35.8 | -175.2 | -28.4 | 35.2 | 0 | 0 | 0 | 115.1 | I1187 V1188 Q1189 | P1185-I1187 PolarHBondContact O-N 2.81Å; P1185-V1188 PolarHBondContact O-N 3.44Å; P1185-Q1189 VanDerWaalsContact O-CG 3.31Å; P1185-Q1189 WeakPolarHBondContact O-CG 3.12Å; P1185-Q1189 PolarHBondContact O-N 3.04Å |
| 1186 | H | 89.8 | Confident | 88.5 | Confident | 53 Ų | 53 | 68.4 Ų | 68.4 | 25% | 0.245 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -65.4 | -25.6 | -177.9 | 70.6 | -85.5 | 0 | 0 | 0 | 113.2 | G1164 L1184 V1188 Q1189 R1190 | G1164-H1186 PolarHBondContact O-NE2 3.07Å; L1184-H1186 VanDerWaalsContact C-N 3.29Å; L1184-H1186 PolarHBondContact O-N 3.42Å; L1184-H1186 VanDerWaalsContact O-N 3.15Å; H1186-V1188 VanDerWaalsContact C-N 3.26Å; H1186-V1188 PolarHBondContact O-N 3.21Å; H1186-Q1189 PolarHBondContact O-N 2.95Å; H1186-R1190 HydrophobicContact CB-CG 4.47Å; H1186-R1190 VanDerWaalsContact O-CB 3.32Å; H1186-R1190 WeakPolarHBondContact O-CB 3.5Å; H1186-R1190 WeakPolarHBondContact O-CG 3.41Å; H1186-R1190 PolarHBondContact O-N 2.84Å |
| 1187 | I | 89.3 | Confident | 89.1 | Confident | 2 Ų | 2 | 65.8 Ų | 65.8 | 1% | 0.01 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -66.7 | -31.7 | 175.2 | -65.5 | -60.2 | 0 | 0 | 0 | 111.3 | G1164 A1166 P1168 L1184 P1185 Y1193 | G1164-I1187 VanDerWaalsContact C-CD1 3.49Å; G1164-I1187 WeakPolarHBondContact O-CD1 3.48Å; A1166-I1187 WeakPolarHBondContact O-CG2 3.03Å; P1168-I1187 HydrophobicContact CG-CG2 4.01Å; L1184-I1187 WeakPolarHBondContact O-CB 3.37Å; L1184-I1187 PolarHBondContact O-N 3.16Å; L1184-I1187 VanDerWaalsContact O-N 3.09Å; P1185-I1187 PolarHBondContact O-N 2.81Å; I1187-Y1193 HydrophobicContact CD1-CD1 3.84Å; I1187-Y1193 HydrophobicContact CD1-CD2 4.1Å; I1187-Y1193 HydrophobicContact CD1-CE1 3.38Å; I1187-Y1193 HydrophobicContact CD1-CE2 3.68Å; I1187-Y1193 HydrophobicContact CD1-CG 4.18Å; I1187-Y1193 HydrophobicContact CG2-CD1 4.24Å; I1187-Y1193 HydrophobicContact CG2-CG 4.36Å; I1187-Y1193 WeakPolarHBondContact O-CB 3.24Å |
| 1188 | V | 85 | Confident | 89.6 | Confident | 89 Ų | 89 | 62.6 Ų | 62.6 | 54% | 0.539 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -86.3 | -30.3 | 177.6 | -175.3 | 0 | 0 | 0 | 0 | 110.9 | P1185 H1186 Q1194 | P1185-V1188 PolarHBondContact O-N 3.44Å; H1186-V1188 VanDerWaalsContact C-N 3.26Å; H1186-V1188 PolarHBondContact O-N 3.21Å; V1188-Q1194 PolarHBondContact O-NE2 2.88Å |
| 1189 | Q | 88.8 | Confident | 90 | Very high | 145 Ų | 145 | 61.9 Ų | 61.9 | 68% | 0.678 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -87.9 | -36.1 | -173.5 | -68.3 | 169 | -5.4 | 0 | 0 | 114.5 | P1185 H1186 Q1194 | P1185-Q1189 VanDerWaalsContact O-CG 3.31Å; P1185-Q1189 WeakPolarHBondContact O-CG 3.12Å; P1185-Q1189 PolarHBondContact O-N 3.04Å; H1186-Q1189 PolarHBondContact O-N 2.95Å; Q1189-Q1194 PolarHBondContact O-NE2 3.48Å |
| 1190 | R | 90 | Very high | 90.7 | Very high | 138 Ų | 138 | 58.4 Ų | 58.4 | 52% | 0.521 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -74.9 | 134.4 | -175.7 | -71.8 | -178.2 | 179.4 | -166.9 | 0.8 | 111.4 | H1186 E1192 Y1193 | H1186-R1190 HydrophobicContact CB-CG 4.47Å; H1186-R1190 VanDerWaalsContact O-CB 3.32Å; H1186-R1190 WeakPolarHBondContact O-CB 3.5Å; H1186-R1190 WeakPolarHBondContact O-CG 3.41Å; H1186-R1190 PolarHBondContact O-N 2.84Å; R1190-E1192 VanDerWaalsContact C-N 3.28Å; R1190-E1192 HydrophobicContact CB-CG 4.18Å; R1190-E1192 WeakPolarHBondContact CD-OE1 3.16Å; R1190-E1192 IonicContact NH1-OE1 3.68Å; R1190-E1192 PolarHBondContact O-N 2.76Å; R1190-Y1193 HydrophobicContact CB-CD2 3.98Å; R1190-Y1193 HydrophobicContact CB-CE2 4.43Å; R1190-Y1193 PolarHBondContact O-N 3.2Å |
| 1191 | V | 88.4 | Confident | 91.2 | Very high | 94 Ų | 94 | 49.4 Ų | 49.4 | 57% | 0.57 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -57.9 | -37.3 | -176.4 | 68.7 | 0 | 0 | 0 | 0 | 112.9 | Y1193 Q1194 L1195 | V1191-Y1193 PolarHBondContact O-N 3.44Å; V1191-Y1193 VanDerWaalsContact O-N 3.11Å; V1191-Q1194 WeakPolarHBondContact O-CA 3.49Å; V1191-Q1194 PolarHBondContact O-N 3.28Å; V1191-L1195 HydrophobicContact CG2-CD1 4.05Å; V1191-L1195 HydrophobicContact CG2-CD2 4.06Å; V1191-L1195 HydrophobicContact CG2-CG 3.93Å; V1191-L1195 WeakPolarHBondContact O-CG 3.47Å; V1191-L1195 PolarHBondContact O-N 3.2Å; V1191-L1195 VanDerWaalsContact O-N 3.13Å |
| 1192 | E | 88.1 | Confident | 91.4 | Very high | 82 Ų | 82 | 50.1 Ų | 50.1 | 38% | 0.383 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -57 | -29.7 | -179.5 | 66.6 | -164.6 | -179.1 | 0 | 0 | 114.1 | R1167 R1190 | R1167-E1192 PolarHBondContact NH2-O 2.99Å; R1190-E1192 VanDerWaalsContact C-N 3.28Å; R1190-E1192 HydrophobicContact CB-CG 4.18Å; R1190-E1192 WeakPolarHBondContact CD-OE1 3.16Å; R1190-E1192 IonicContact NH1-OE1 3.68Å; R1190-E1192 PolarHBondContact O-N 2.76Å |
| 1193 | Y | 91.1 | Very high | 91.3 | Very high | 28 Ų | 28 | 46.5 Ų | 46.5 | 11% | 0.11 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -86.6 | -14.3 | 176.2 | -65.3 | -84.1 | 0 | 0 | 0 | 113.4 | R1167 I1187 R1190 V1191 L1326 | R1167-Y1193 HydrophobicContact CG-CD1 3.89Å; R1167-Y1193 PolarHBondContact NE-O 2.82Å; I1187-Y1193 HydrophobicContact CD1-CD1 3.84Å; I1187-Y1193 HydrophobicContact CD1-CD2 4.1Å; I1187-Y1193 HydrophobicContact CD1-CE1 3.38Å; I1187-Y1193 HydrophobicContact CD1-CE2 3.68Å; I1187-Y1193 HydrophobicContact CD1-CG 4.18Å; I1187-Y1193 HydrophobicContact CG2-CD1 4.24Å; I1187-Y1193 HydrophobicContact CG2-CG 4.36Å; I1187-Y1193 WeakPolarHBondContact O-CB 3.24Å; R1190-Y1193 HydrophobicContact CB-CD2 3.98Å; R1190-Y1193 HydrophobicContact CB-CE2 4.43Å; R1190-Y1193 PolarHBondContact O-N 3.2Å; V1191-Y1193 PolarHBondContact O-N 3.44Å; V1191-Y1193 VanDerWaalsContact O-N 3.11Å; Y1193-L1326 HydrophobicContact CD1-CD2 3.79Å; Y1193-L1326 HydrophobicContact CE1-CD2 3.92Å; Y1193-L1326 HydrophobicContact CG-CD2 4.38Å |
| 1194 | Q | 89.7 | Confident | 91.2 | Very high | 76 Ų | 76 | 45 Ų | 45 | 36% | 0.355 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -95.9 | -23.8 | -178.7 | -62 | -178.5 | 15.4 | 0 | 0 | 113.5 | V1188 Q1189 V1191 K1390 A1391 | V1188-Q1194 PolarHBondContact O-NE2 2.88Å; Q1189-Q1194 PolarHBondContact O-NE2 3.48Å; V1191-Q1194 WeakPolarHBondContact O-CA 3.49Å; V1191-Q1194 PolarHBondContact O-N 3.28Å; Q1194-K1390 CarbonylContact O-C 3.52Å; Q1194-K1390 WeakPolarHBondContact O-CA 3.14Å; Q1194-A1391 WeakPolarHBondContact O-CB 3.46Å; Q1194-A1391 PolarHBondContact O-N 3.15Å |
| 1195 | L | 90.3 | Very high | 91.3 | Very high | 48 Ų | 48 | 43.5 Ų | 43.5 | 25% | 0.251 | 22% | 0.217 | S | C | . | . | B | Isolated β-bridge | trans | -75.7 | 146.9 | -177.7 | -63.5 | 177.4 | 0 | 0 | 0 | 112.3 | R1167 V1191 L1388 | R1167-L1195 PolarHBondContact NH1-O 3Å; R1167-L1195 PolarHBondContact NH2-O 3.09Å; V1191-L1195 HydrophobicContact CG2-CD1 4.05Å; V1191-L1195 HydrophobicContact CG2-CD2 4.06Å; V1191-L1195 HydrophobicContact CG2-CG 3.93Å; V1191-L1195 WeakPolarHBondContact O-CG 3.47Å; V1191-L1195 PolarHBondContact O-N 3.2Å; V1191-L1195 VanDerWaalsContact O-N 3.13Å; L1195-L1388 HydrophobicContact CB-CB 4.42Å; L1195-L1388 HydrophobicContact CD1-CB 4.44Å; L1195-L1388 HydrophobicContact CD1-CD1 4.27Å; L1195-L1388 HydrophobicContact CD2-CB 4.16Å |
| 1196 | A | 90.3 | Very high | 91.4 | Very high | 5 Ų | 5 | 40 Ų | 40 | 4% | 0.041 | 19% | 0.193 | C | C | . | . | trans | -64 | 162.6 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | P1198 R1389 | A1196-P1198 VanDerWaalsContact O-CD 3.22Å; A1196-P1198 WeakPolarHBondContact O-CD 3.5Å; A1196-R1389 HydrophobicContact CB-CG 3.55Å; A1196-R1389 VanDerWaalsContact CB-CZ 3.45Å; A1196-R1389 PolarHBondContact N-O 3.08Å | ||
| 1197 | N | 94.6 | Very high | 91.7 | Very high | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | trans | -84.8 | 111.3 | 172.4 | -65.4 | -3.9 | 0 | 0 | 0 | 107.8 | R1167 G1199 F1200 E1203 Y1246 Y1297 L1326 G1327 Y1329 | R1167-N1197 PolarHBondContact NH1-OD1 3.2Å; R1167-N1197 PolarHBondContact NH2-OD1 3.25Å; N1197-G1199 PolarHBondContact O-N 3.15Å; N1197-F1200 HydrophobicContact CB-CB 4.37Å; N1197-F1200 HydrophobicContact CB-CD2 4.38Å; N1197-F1200 PolarHBondContact O-N 3.11Å; N1197-F1200 VanDerWaalsContact O-O 3.11Å; N1197-E1203 WeakPolarHBondContact ND2-CA 3.46Å; N1197-E1203 PolarHBondContact ND2-O 3.4Å; N1197-Y1246 VanDerWaalsContact C-OH 3.28Å; N1197-Y1297 HydrophobicContact CB-CE1 4.48Å; N1197-L1326 PolarHBondContact ND2-O 3.28Å; N1197-L1326 PolarHBondContact OD1-O 2.81Å; N1197-G1327 VanDerWaalsContact ND2-CA 3.25Å; N1197-G1327 WeakPolarHBondContact ND2-CA 3.13Å; N1197-Y1329 WeakPolarHBondContact CB-OH 3.45Å; N1197-Y1329 PolarHBondContact ND2-OH 3.25Å | ||
| 1198 | P | 92 | Very high | 92 | Very high | 2 Ų | 2 | 40.2 Ų | 40.2 | 1% | 0.013 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.4 | 131.8 | -178.5 | -6.5 | 0.5 | 0 | 0 | 0 | 112.1 | A1196 F1200 L1244 Y1246 E1381 F1383 L1388 | A1196-P1198 VanDerWaalsContact O-CD 3.22Å; A1196-P1198 WeakPolarHBondContact O-CD 3.5Å; P1198-F1200 VanDerWaalsContact C-N 3.33Å; P1198-F1200 WeakPolarHBondContact O-CD2 3.44Å; P1198-L1244 WeakPolarHBondContact O-CD1 3.42Å; P1198-Y1246 HydrophobicContact CB-CE2 4.17Å; P1198-Y1246 WeakPolarHBondContact CD-OH 3.46Å; P1198-Y1246 HydrophobicContact CG-CE2 4.13Å; P1198-Y1246 VanDerWaalsContact O-CE2 3.32Å; P1198-Y1246 WeakPolarHBondContact O-CE2 3.43Å; P1198-Y1246 PolarHBondContact O-OH 2.81Å; P1198-E1381 CarbonylContact C-O 3.59Å; P1198-E1381 HydrophobicContact CB-CB 4.19Å; P1198-E1381 WeakPolarHBondContact CB-O 3.27Å; P1198-F1383 HydrophobicContact CG-CB 4.23Å; P1198-F1383 HydrophobicContact CG-CD2 4Å; P1198-F1383 HydrophobicContact CG-CG 4.5Å; P1198-L1388 HydrophobicContact CB-CD2 3.81Å; P1198-L1388 HydrophobicContact CG-CD1 3.88Å; P1198-L1388 HydrophobicContact CG-CD2 3.74Å; P1198-L1388 HydrophobicContact CG-CG 4.49Å |
| 1199 | G | 94 | Very high | 92.4 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 89.5 | -9.9 | -179 | 0 | 0 | 0 | 0 | 0 | 114.9 | N1197 Y1240 L1377 V1378 E1381 | N1197-G1199 PolarHBondContact O-N 3.15Å; G1199-Y1240 WeakPolarHBondContact CA-OH 3.37Å; G1199-Y1240 PolarHBondContact O-OH 3.3Å; G1199-L1377 CarbonylContact O-C 3.51Å; G1199-L1377 WeakPolarHBondContact O-CA 3.44Å; G1199-V1378 VanDerWaalsContact CA-O 3.32Å; G1199-V1378 WeakPolarHBondContact CA-O 3.43Å; G1199-V1378 PolarHBondContact O-N 2.87Å; G1199-E1381 PolarHBondContact N-O 2.96Å; G1199-E1381 VanDerWaalsContact N-O 3.11Å |
| 1200 | F | 95.2 | Very high | 92.6 | Very high | 2 Ų | 2 | 31.3 Ų | 31.3 | 1% | 0.009 | 16% | 0.161 | C | C | . | . | B | Isolated β-bridge | trans | -127.9 | 128.4 | -176.5 | -60.7 | -90.4 | 0 | 0 | 0 | 110.9 | N1197 P1198 Y1202 I1237 Y1240 M1241 Y1329 L1375 L1377 R1389 | N1197-F1200 HydrophobicContact CB-CB 4.37Å; N1197-F1200 HydrophobicContact CB-CD2 4.38Å; N1197-F1200 PolarHBondContact O-N 3.11Å; N1197-F1200 VanDerWaalsContact O-O 3.11Å; P1198-F1200 VanDerWaalsContact C-N 3.33Å; P1198-F1200 WeakPolarHBondContact O-CD2 3.44Å; F1200-Y1202 PolarHBondContact O-N 2.78Å; F1200-I1237 HydrophobicContact CE1-CG2 4.19Å; F1200-I1237 HydrophobicContact CZ-CG2 3.97Å; F1200-Y1240 HydrophobicContact CE1-CD1 4.42Å; F1200-Y1240 HydrophobicContact CE2-CD1 4.35Å; F1200-Y1240 HydrophobicContact CE2-CE1 4.35Å; F1200-Y1240 AromaticContact CZ-CD1 3.91Å; F1200-Y1240 HydrophobicContact CZ-CD1 3.91Å; F1200-Y1240 HydrophobicContact CZ-CE1 4.2Å; F1200-M1241 HydrophobicContact CE2-CG 3.72Å; F1200-M1241 HydrophobicContact CE2-SD 4.32Å; F1200-M1241 HydrophobicContact CZ-CG 3.74Å; F1200-M1241 HydrophobicContact CZ-SD 4.25Å; F1200-Y1329 HydrophobicContact CB-CE1 3.96Å; F1200-Y1329 WeakPolarHBondContact CB-OH 3.09Å; F1200-Y1329 AromaticContact CD1-CD1 3.98Å; F1200-Y1329 HydrophobicContact CD1-CD1 3.98Å; F1200-Y1329 AromaticContact CD1-CE1 3.29Å; F1200-Y1329 HydrophobicContact CD1-CE1 3.29Å; F1200-Y1329 HydrophobicContact CD1-CE2 4.29Å; F1200-Y1329 AromaticContact CD1-CZ 3.5Å; F1200-Y1329 VanDerWaalsContact CD1-CZ 3.5Å; F1200-Y1329 HydrophobicContact CD2-CE1 4.39Å; F1200-Y1329 HydrophobicContact CD2-CE2 4.3Å; F1200-Y1329 AromaticContact CD2-CZ 3.74Å; F1200-Y1329 VanDerWaalsContact CD2-OH 3.28Å; F1200-Y1329 WeakPolarHBondContact CD2-OH 3.27Å; F1200-Y1329 HydrophobicContact CE1-CD1 4.13Å; F1200-Y1329 AromaticContact CE1-CE1 3.81Å; F1200-Y1329 HydrophobicContact CE1-CE1 3.81Å; F1200-Y1329 HydrophobicContact CE1-CE2 4.21Å; F1200-Y1329 HydrophobicContact CE1-CG 4.48Å; F1200-Y1329 AromaticContact CE1-CZ 3.87Å; F1200-Y1329 HydrophobicContact CE2-CE2 4.24Å; F1200-Y1329 AromaticContact CG-CE1 3.63Å; F1200-Y1329 HydrophobicContact CG-CE1 3.63Å; F1200-Y1329 HydrophobicContact CG-CE2 4.33Å; F1200-Y1329 AromaticContact CG-CZ 3.42Å; F1200-Y1329 VanDerWaalsContact CG-CZ 3.42Å; F1200-Y1329 WeakPolarHBondContact CG-OH 3.22Å; F1200-Y1329 HydrophobicContact CZ-CE2 4.19Å; F1200-L1375 HydrophobicContact CD1-CD1 4Å; F1200-L1375 HydrophobicContact CE1-CD1 4.18Å; F1200-L1377 HydrophobicContact CD1-CD2 3.67Å; F1200-L1377 HydrophobicContact CE1-CD2 3.73Å; F1200-R1389 PolarHBondContact O-NH2 3.15Å |
| 1201 | L | 94.3 | Very high | 92.6 | Very high | 13 Ų | 13 | 28.7 Ų | 28.7 | 7% | 0.068 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -61.4 | -37.3 | 179 | -175.3 | 61.5 | 0 | 0 | 0 | 111.6 | I1376 V1378 R1389 I1394 V1397 T1400 | L1201-I1376 HydrophobicContact CB-CB 4.09Å; L1201-I1376 HydrophobicContact CB-CG2 3.88Å; L1201-I1376 HydrophobicContact CD2-CB 4.22Å; L1201-I1376 HydrophobicContact CD2-CD1 4.33Å; L1201-I1376 HydrophobicContact CD2-CG2 3.69Å; L1201-I1376 HydrophobicContact CG-CG2 4.44Å; L1201-I1376 PolarHBondContact N-O 3.25Å; L1201-V1378 HydrophobicContact CB-CG2 4.08Å; L1201-V1378 HydrophobicContact CD1-CG2 4.28Å; L1201-R1389 PolarHBondContact O-NH1 3.39Å; L1201-R1389 VanDerWaalsContact O-NH1 3.15Å; L1201-R1389 PolarHBondContact O-NH2 2.75Å; L1201-I1394 HydrophobicContact CD1-CG2 3.92Å; L1201-I1394 HydrophobicContact CD2-CG2 4.08Å; L1201-I1394 HydrophobicContact CG-CG2 3.93Å; L1201-V1397 HydrophobicContact CD1-CB 4.13Å; L1201-V1397 HydrophobicContact CD1-CG1 4.46Å; L1201-V1397 HydrophobicContact CD1-CG2 3.92Å; L1201-T1400 HydrophobicContact CD1-CG2 4.49Å; L1201-T1400 HydrophobicContact CD2-CG2 4.5Å |
| 1202 | Y | 94 | Very high | 92.7 | Very high | 36 Ų | 36 | 28.3 Ų | 28.3 | 14% | 0.141 | 15% | 0.146 | C | C | . | . | S | Bend | trans | -115.3 | 143.1 | -177 | -60.5 | -71.9 | 0 | 0 | 0 | 112.1 | F1200 Y1204 Y1329 R1371 P1372 I1376 I1394 | F1200-Y1202 PolarHBondContact O-N 2.78Å; Y1202-Y1204 VanDerWaalsContact C-N 3.31Å; Y1202-Y1204 WeakPolarHBondContact CB-O 3.4Å; Y1202-Y1204 PolarHBondContact O-N 3.23Å; Y1202-Y1329 PolarHBondContact O-OH 3.33Å; Y1202-R1371 HydrophobicContact CD1-CG 4.12Å; Y1202-R1371 HydrophobicContact CE1-CG 4.22Å; Y1202-R1371 HydrophobicContact CG-CG 4.45Å; Y1202-P1372 HydrophobicContact CE2-CG 4.26Å; Y1202-I1376 HydrophobicContact CE2-CD1 4.14Å; Y1202-I1394 HydrophobicContact CD1-CD1 4.13Å; Y1202-I1394 HydrophobicContact CE1-CD1 3.95Å; Y1202-I1394 HydrophobicContact CE1-CG2 3.96Å |
| 1203 | E | 91.9 | Very high | 92.7 | Very high | 15 Ų | 15 | 30.8 Ų | 30.8 | 7% | 0.07 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -71.9 | -23.3 | 175.6 | 76.5 | -75.9 | -167.5 | 0 | 0 | 113.7 | R1167 S1169 N1197 G1327 L1328 R1371 | R1167-E1203 VanDerWaalsContact NH1-CB 3.29Å; S1169-E1203 WeakPolarHBondContact CB-OE1 3.44Å; S1169-E1203 PolarHBondContact OG-OE1 3.3Å; N1197-E1203 WeakPolarHBondContact ND2-CA 3.46Å; N1197-E1203 PolarHBondContact ND2-O 3.4Å; E1203-G1327 WeakPolarHBondContact O-CA 3.3Å; E1203-L1328 PolarHBondContact O-N 3.16Å; E1203-R1371 VanDerWaalsContact CD-NH1 3.26Å; E1203-R1371 IonicContact OE1-CZ 2.85Å; E1203-R1371 IonicContact OE1-NH1 2.78Å; E1203-R1371 IonicContact OE1-NH2 3.31Å; E1203-R1371 PolarHBondContact OE1-NH2 3.49Å; E1203-R1371 IonicContact OE2-CZ 2.74Å; E1203-R1371 VanDerWaalsContact OE2-CZ 3.3Å; E1203-R1371 IonicContact OE2-NH1 3.86Å; E1203-R1371 PolarHBondContact OE2-NH1 2.98Å; E1203-R1371 IonicContact OE2-NH2 3.31Å; E1203-R1371 PolarHBondContact OE2-NH2 3.16Å |
| 1204 | Y | 94.4 | Very high | 92.5 | Very high | 4 Ų | 4 | 32.7 Ų | 32.7 | 2% | 0.016 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 150.1 | 166.6 | 77.9 | -96.6 | 0 | 0 | 0 | 111 | L1170 L1173 Y1202 L1328 Q1367 L1368 R1371 | L1170-Y1204 HydrophobicContact CD2-CD1 4Å; L1170-Y1204 HydrophobicContact CD2-CG 4.12Å; L1173-Y1204 HydrophobicContact CD1-CD1 4.48Å; L1173-Y1204 HydrophobicContact CD1-CD2 4.22Å; L1173-Y1204 HydrophobicContact CD1-CE2 4.48Å; L1173-Y1204 HydrophobicContact CD1-CG 4.25Å; L1173-Y1204 HydrophobicContact CD2-CD2 4.49Å; L1173-Y1204 HydrophobicContact CD2-CE1 4.42Å; L1173-Y1204 HydrophobicContact CD2-CE2 3.95Å; Y1202-Y1204 VanDerWaalsContact C-N 3.31Å; Y1202-Y1204 WeakPolarHBondContact CB-O 3.4Å; Y1202-Y1204 PolarHBondContact O-N 3.23Å; Y1204-L1328 CarbonylContact C-O 3.23Å; Y1204-L1328 WeakPolarHBondContact CA-O 3.47Å; Y1204-L1328 VanDerWaalsContact CB-O 3.23Å; Y1204-L1328 WeakPolarHBondContact CB-O 3.39Å; Y1204-Q1367 PolarHBondContact OH-O 2.72Å; Y1204-L1368 HydrophobicContact CD2-CD2 4.12Å; Y1204-L1368 HydrophobicContact CE2-CD2 4.03Å; Y1204-R1371 VanDerWaalsContact CD1-CZ 3.49Å; Y1204-R1371 VanDerWaalsContact CE1-NH2 3.34Å; Y1204-R1371 WeakPolarHBondContact O-CD 3.32Å; Y1204-R1371 PolarHBondContact O-NH1 2.96Å |
| 1205 | Q | 94.7 | Very high | 92.4 | Very high | 2 Ų | 2 | 32.9 Ų | 32.9 | 1% | 0.009 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 138.6 | 175.7 | -159.9 | 167.8 | 25.4 | 0 | 0 | 110.7 | I1207 L1328 I1330 P1372 N1374 L1375 | Q1205-I1207 HydrophobicContact CB-CG1 4.3Å; Q1205-I1207 HydrophobicContact CG-CG1 4.25Å; Q1205-L1328 PolarHBondContact N-O 3.46Å; Q1205-I1330 PolarHBondContact O-N 2.73Å; Q1205-P1372 WeakPolarHBondContact CG-O 3.36Å; Q1205-P1372 PolarHBondContact NE2-O 3.13Å; Q1205-N1374 PolarHBondContact NE2-O 2.79Å; Q1205-L1375 VanDerWaalsContact OE1-CD1 3.28Å |
| 1206 | L | 93.7 | Very high | 92.3 | Very high | 4 Ų | 4 | 31.1 Ų | 31.1 | 2% | 0.021 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 118.4 | 164.8 | 178.9 | 65 | 0 | 0 | 0 | 108.1 | I1330 A1332 V1334 F1366 L1368 Q1373 | L1206-I1330 HydrophobicContact CD1-CB 3.87Å; L1206-I1330 HydrophobicContact CD1-CG2 3.64Å; L1206-A1332 HydrophobicContact CD1-CB 3.83Å; L1206-V1334 HydrophobicContact CD1-CG2 4.46Å; L1206-V1334 HydrophobicContact CD2-CG1 4.36Å; L1206-V1334 HydrophobicContact CD2-CG2 3.88Å; L1206-V1334 HydrophobicContact CG-CG2 3.8Å; L1206-F1366 HydrophobicContact CD2-CD1 4.47Å; L1206-F1366 HydrophobicContact CD2-CE1 3.68Å; L1206-L1368 HydrophobicContact CB-CB 4.35Å; L1206-L1368 WeakPolarHBondContact CB-O 3.28Å; L1206-L1368 HydrophobicContact CD2-CB 4.14Å; L1206-Q1373 WeakPolarHBondContact O-CA 3.46Å |
| 1207 | I | 95.9 | Very high | 92.4 | Very high | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 121 | -171.5 | -57.9 | 150.1 | 0 | 0 | 0 | 107.6 | Q1205 V1209 Y1233 I1237 I1330 L1331 A1332 Q1373 L1375 | Q1205-I1207 HydrophobicContact CB-CG1 4.3Å; Q1205-I1207 HydrophobicContact CG-CG1 4.25Å; I1207-V1209 HydrophobicContact CG2-CG2 4.5Å; I1207-Y1233 HydrophobicContact CG2-CE2 3.99Å; I1207-I1237 HydrophobicContact CD1-CD1 4.14Å; I1207-I1330 PolarHBondContact N-O 3.06Å; I1207-L1331 HydrophobicContact CB-CD2 4.02Å; I1207-L1331 HydrophobicContact CD1-CD2 3.92Å; I1207-L1331 HydrophobicContact CG2-CD2 4.02Å; I1207-A1332 PolarHBondContact O-N 2.87Å; I1207-A1332 VanDerWaalsContact O-N 3.11Å; I1207-Q1373 CarbonylContact C-O 3.49Å; I1207-Q1373 VanDerWaalsContact CA-O 3.27Å; I1207-Q1373 WeakPolarHBondContact CA-O 3.4Å; I1207-L1375 HydrophobicContact CD1-CB 4.33Å; I1207-L1375 HydrophobicContact CD1-CD1 3.93Å; I1207-L1375 HydrophobicContact CD1-CD2 4.45Å; I1207-L1375 HydrophobicContact CD1-CG 4.47Å; I1207-L1375 HydrophobicContact CG1-CB 4.18Å; I1207-L1375 HydrophobicContact CG1-CD1 4.34Å; I1207-L1375 HydrophobicContact CG2-CB 4.35Å |
| 1208 | D | 94.7 | Very high | 92.2 | Very high | 60 Ų | 60 | 33.8 Ų | 33.8 | 32% | 0.321 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 125.9 | 176.7 | -165.5 | 32.8 | 0 | 0 | 0 | 110.3 | A1332 V1334 Q1373 | D1208-A1332 WeakPolarHBondContact CA-O 3.24Å; D1208-V1334 HydrophobicContact CB-CB 4.07Å; D1208-V1334 HydrophobicContact CB-CG2 3.59Å; D1208-V1334 PolarHBondContact OD1-N 2.84Å; D1208-Q1373 HydrophobicContact CB-CB 4.04Å; D1208-Q1373 PolarHBondContact N-O 3.19Å |
| 1209 | V | 95.1 | Very high | 91.9 | Very high | 3 Ų | 3 | 36.1 Ų | 36.1 | 2% | 0.018 | 23% | 0.226 | C | C | . | . | trans | -115.3 | 106.9 | 179 | -173.9 | 0 | 0 | 0 | 0 | 109.1 | I1207 A1229 E1230 Y1233 L1331 A1332 R1333 | I1207-V1209 HydrophobicContact CG2-CG2 4.5Å; V1209-A1229 HydrophobicContact CG1-CB 3.56Å; V1209-E1230 HydrophobicContact CB-CG 3.92Å; V1209-E1230 HydrophobicContact CG1-CG 3.94Å; V1209-E1230 HydrophobicContact CG2-CG 4.07Å; V1209-Y1233 HydrophobicContact CG1-CD2 4.49Å; V1209-Y1233 HydrophobicContact CG2-CD2 3.92Å; V1209-Y1233 HydrophobicContact CG2-CE2 4.4Å; V1209-L1331 HydrophobicContact CG2-CB 4.04Å; V1209-L1331 HydrophobicContact CG2-CD2 3.98Å; V1209-A1332 PolarHBondContact N-O 3.47Å; V1209-R1333 VanDerWaalsContact O-CZ 3.31Å; V1209-R1333 PolarHBondContact O-NE 2.79Å; V1209-R1333 PolarHBondContact O-NH2 3.03Å | ||
| 1210 | G | 91.4 | Very high | 91.2 | Very high | 43 Ų | 43 | 39.3 Ų | 39.3 | 44% | 0.443 | 25% | 0.247 | S | C | . | . | trans | -67.1 | 175.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | R1333 | G1210-R1333 PolarHBondContact O-NH2 2.6Š| ||
| 1211 | D | 91.5 | Very high | 90.1 | Very high | 84 Ų | 84 | 42.6 Ų | 42.6 | 45% | 0.449 | 27% | 0.267 | S | S | . | . | trans | -71.3 | 138.5 | 176.7 | -61.8 | -39.5 | 0 | 0 | 0 | 110.3 | G1216 R1333 | D1211-G1216 WeakPolarHBondContact OD1-CA 3.37Å; D1211-G1216 PolarHBondContact OD1-N 2.94Å; D1211-R1333 VanDerWaalsContact CG-NH1 3.34Å; D1211-R1333 VanDerWaalsContact N-NH2 3.17Å; D1211-R1333 IonicContact OD1-CZ 3.36Å; D1211-R1333 VanDerWaalsContact OD1-CZ 3.26Å; D1211-R1333 IonicContact OD1-NH1 4Å; D1211-R1333 PolarHBondContact OD1-NH1 2.76Å; D1211-R1333 IonicContact OD1-NH2 2.63Å; D1211-R1333 PolarHBondContact OD1-NH2 3.3Å; D1211-R1333 IonicContact OD2-NH1 3.83Å; D1211-R1333 PolarHBondContact OD2-NH1 2.99Å | ||
| 1212 | Y | 89.4 | Confident | 88.9 | Confident | 86 Ų | 86 | 45.5 Ų | 45.5 | 34% | 0.337 | 29% | 0.287 | S | S | . | . | B | Isolated β-bridge | trans | -103 | 124.5 | 174.1 | 178.5 | -111.5 | 0 | 0 | 0 | 109.3 | G1214 V1215 L1228 M1406 P1407 | Y1212-G1214 PolarHBondContact O-N 2.8Å; Y1212-V1215 PolarHBondContact N-O 3.45Å; Y1212-V1215 PolarHBondContact O-N 2.66Å; Y1212-L1228 HydrophobicContact CD1-CD2 4.08Å; Y1212-L1228 HydrophobicContact CE1-CD2 4.13Å; Y1212-M1406 HydrophobicContact CD1-CE 4.09Å; Y1212-M1406 HydrophobicContact CD2-CE 3.42Å; Y1212-M1406 VanDerWaalsContact CD2-CE 3.42Å; Y1212-M1406 HydrophobicContact CE1-CE 4.32Å; Y1212-M1406 HydrophobicContact CE2-CE 3.71Å; Y1212-M1406 HydrophobicContact CG-CE 3.63Å; Y1212-P1407 HydrophobicContact CD2-CG 4.16Å; Y1212-P1407 HydrophobicContact CE2-CG 4.09Å |
| 1213 | N | 88.1 | Confident | 87.9 | Confident | 133 Ų | 133 | 47.1 Ų | 47.1 | 71% | 0.711 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.8 | 34.6 | -171.1 | -62.2 | -25.6 | 0 | 0 | 0 | 113.5 | V1215 | N1213-V1215 PolarHBondContact O-N 2.87Š|
| 1214 | G | 86.6 | Confident | 87.5 | Confident | 69 Ų | 69 | 48.8 Ų | 48.8 | 71% | 0.711 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.5 | 6.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y1212 | Y1212-G1214 PolarHBondContact O-N 2.8Š|
| 1215 | V | 87.6 | Confident | 87.4 | Confident | 80 Ų | 80 | 50.6 Ų | 50.6 | 49% | 0.485 | 31% | 0.31 | S | S | . | . | B | Isolated β-bridge | trans | -113.1 | 123.6 | 177.8 | -175.5 | 0 | 0 | 0 | 0 | 109.6 | Y1212 N1213 | Y1212-V1215 PolarHBondContact N-O 3.45Å; Y1212-V1215 PolarHBondContact O-N 2.66Å; N1213-V1215 PolarHBondContact O-N 2.87Å |
| 1216 | G | 89.5 | Confident | 87.4 | Confident | 10 Ų | 10 | 52 Ų | 52 | 10% | 0.103 | 32% | 0.316 | C | S | . | . | trans | -86.8 | -106.8 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | D1211 | D1211-G1216 WeakPolarHBondContact OD1-CA 3.37Å; D1211-G1216 PolarHBondContact OD1-N 2.94Å | ||
| 1217 | E | 90.9 | Very high | 87.6 | Confident | 14 Ų | 14 | 51.8 Ų | 51.8 | 7% | 0.065 | 32% | 0.315 | C | S | . | . | trans | -79.2 | 147 | 170.7 | 83.2 | -105.5 | 98.8 | 0 | 0 | 113 | Q1226 R1304 S1305 Q1306 | E1217-Q1226 CarbonylContact C-O 3.32Å; E1217-Q1226 WeakPolarHBondContact CA-O 3.44Å; E1217-R1304 VanDerWaalsContact OE2-CA 3.3Å; E1217-R1304 WeakPolarHBondContact OE2-CA 3.03Å; E1217-R1304 IonicContact OE2-NE 2.69Å; E1217-R1304 PolarHBondContact OE2-NE 2.9Å; E1217-S1305 VanDerWaalsContact CD-N 3.31Å; E1217-S1305 PolarHBondContact N-OG 3.1Å; E1217-S1305 PolarHBondContact OE1-OG 3.09Å; E1217-S1305 PolarHBondContact OE2-N 3.2Å; E1217-Q1306 VanDerWaalsContact CD-N 3.31Å; E1217-Q1306 WeakPolarHBondContact OE1-CB 3.27Å; E1217-Q1306 WeakPolarHBondContact OE1-CG 3.45Å; E1217-Q1306 PolarHBondContact OE1-N 3.29Å; E1217-Q1306 PolarHBondContact OE1-NE2 3.43Å; E1217-Q1306 VanDerWaalsContact OE1-NE2 3.13Å; E1217-Q1306 PolarHBondContact OE2-N 2.87Å | ||
| 1218 | S | 91.1 | Very high | 87.6 | Confident | 49 Ų | 49 | 55.3 Ų | 55.3 | 34% | 0.343 | 33% | 0.333 | S | S | . | . | B | Isolated β-bridge | trans | -121.1 | 158.3 | 167.3 | 66.7 | 0 | 0 | 0 | 0 | 110.1 | Y1225 Q1226 | S1218-Y1225 WeakPolarHBondContact O-CA 3.29Å; S1218-Q1226 PolarHBondContact N-O 2.64Å; S1218-Q1226 PolarHBondContact O-N 2.94Å |
| 1219 | A | 85.5 | Confident | 87.8 | Confident | 50 Ų | 50 | 52.5 Ų | 52.5 | 41% | 0.413 | 32% | 0.319 | S | S | . | . | trans | -137.4 | 84.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | T1221 Y1225 | A1219-T1221 PolarHBondContact O-N 3.31Å; A1219-Y1225 HydrophobicContact CB-CD1 3.97Å; A1219-Y1225 HydrophobicContact CB-CE1 4.08Å | ||
| 1220 | P | 79.6 | Confident | 87.9 | Confident | 68 Ų | 68 | 52.4 Ų | 52.4 | 44% | 0.442 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -55.9 | -40.5 | -178.4 | -25.1 | 34.1 | 0 | 0 | 0 | 112.5 | F1224 | P1220-F1224 WeakPolarHBondContact CD-O 3.41Š|
| 1221 | T | 72.5 | Confident | 88.2 | Confident | 71 Ų | 71 | 50.3 Ų | 50.3 | 44% | 0.436 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -119.3 | 154 | 167 | 53 | 0 | 0 | 0 | 0 | 109.6 | A1219 H1223 F1224 | A1219-T1221 PolarHBondContact O-N 3.31Å; T1221-H1223 PolarHBondContact O-N 2.77Å; T1221-F1224 WeakPolarHBondContact O-CB 3.41Å; T1221-F1224 PolarHBondContact O-N 2.92Å; T1221-F1224 WeakPolarHBondContact OG1-CB 3.4Å |
| 1222 | P | 68.4 | Low | 88.5 | Confident | 74 Ų | 74 | 47.7 Ų | 47.7 | 48% | 0.481 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.6 | 133.6 | 177.6 | -27.3 | 35.1 | 0 | 0 | 0 | 111.8 | F1224 | P1222-F1224 PolarHBondContact O-N 3.13Š|
| 1223 | H | 72.6 | Confident | 88.9 | Confident | 69 Ų | 69 | 43.7 Ų | 43.7 | 32% | 0.319 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.5 | -1.8 | -179.2 | -47.6 | -62.7 | 0 | 0 | 0 | 116.9 | E485 Y486 T1221 Y1225 | E485-H1223 IonicContact OE1-CD2 3.7Å; E485-H1223 PolarHBondContact OE1-CD2 2.68Å; E485-H1223 VanDerWaalsContact OE1-CD2 3.24Å; E485-H1223 IonicContact OE1-NE2 3.38Å; Y486-H1223 AromaticContact CE1-CE1 3.81Å; Y486-H1223 AromaticContact CE1-NE2 3.53Å; Y486-H1223 AromaticContact CZ-NE2 3.73Å; Y486-H1223 PolarHBondContact OH-NE2 2.91Å; T1221-H1223 PolarHBondContact O-N 2.77Å; H1223-Y1225 VanDerWaalsContact C-N 3.32Å; H1223-Y1225 HydrophobicContact CB-CE2 4.31Å; H1223-Y1225 VanDerWaalsContact O-CD2 3.27Å; H1223-Y1225 WeakPolarHBondContact O-CD2 3.13Å; H1223-Y1225 PolarHBondContact O-N 3.01Å; H1223-Y1225 VanDerWaalsContact O-N 3.14Å |
| 1224 | F | 83.6 | Confident | 89.4 | Confident | 50 Ų | 50 | 37.4 Ų | 37.4 | 22% | 0.219 | 23% | 0.232 | C | C | . | . | trans | -88.8 | 70.2 | 174.4 | -163.3 | -96.5 | 0 | 0 | 0 | 110.4 | P1220 T1221 P1222 Q1226 G1259 H1262 | P1220-F1224 WeakPolarHBondContact CD-O 3.41Å; T1221-F1224 WeakPolarHBondContact O-CB 3.41Å; T1221-F1224 PolarHBondContact O-N 2.92Å; T1221-F1224 WeakPolarHBondContact OG1-CB 3.4Å; P1222-F1224 PolarHBondContact O-N 3.13Å; F1224-Q1226 HydrophobicContact CD1-CG 4.44Å; F1224-Q1226 HydrophobicContact CE1-CG 4.44Å; F1224-G1259 VanDerWaalsContact CE1-CA 3.44Å; F1224-G1259 VanDerWaalsContact CZ-CA 3.43Å; F1224-H1262 AromaticContact CE2-CD2 3.97Å; F1224-H1262 HydrophobicContact CZ-CB 4.23Å; F1224-H1262 AromaticContact CZ-CD2 3.91Å | ||
| 1225 | Y | 92.6 | Very high | 89.9 | Confident | 43 Ų | 43 | 34.1 Ų | 34.1 | 17% | 0.169 | 20% | 0.198 | C | C | . | . | trans | -74.9 | 138 | -174.9 | -60.5 | -78.8 | 0 | 0 | 0 | 112.7 | S1218 A1219 H1223 Y1257 G1259 Q1260 | S1218-Y1225 WeakPolarHBondContact O-CA 3.29Å; A1219-Y1225 HydrophobicContact CB-CD1 3.97Å; A1219-Y1225 HydrophobicContact CB-CE1 4.08Å; H1223-Y1225 VanDerWaalsContact C-N 3.32Å; H1223-Y1225 HydrophobicContact CB-CE2 4.31Å; H1223-Y1225 VanDerWaalsContact O-CD2 3.27Å; H1223-Y1225 WeakPolarHBondContact O-CD2 3.13Å; H1223-Y1225 PolarHBondContact O-N 3.01Å; H1223-Y1225 VanDerWaalsContact O-N 3.14Å; Y1225-Y1257 AromaticContact CD2-CD1 3.44Å; Y1225-Y1257 HydrophobicContact CD2-CD1 3.44Å; Y1225-Y1257 VanDerWaalsContact CD2-CD1 3.44Å; Y1225-Y1257 AromaticContact CD2-CE1 3.4Å; Y1225-Y1257 HydrophobicContact CD2-CE1 3.4Å; Y1225-Y1257 HydrophobicContact CD2-CG 4.17Å; Y1225-Y1257 HydrophobicContact CE2-CD1 4.33Å; Y1225-Y1257 AromaticContact CE2-CE1 3.92Å; Y1225-Y1257 HydrophobicContact CE2-CE1 3.92Å; Y1225-Y1257 HydrophobicContact CG-CD1 4.19Å; Y1225-Y1257 HydrophobicContact CG-CE1 4.27Å; Y1225-G1259 CarbonylContact O-C 3.53Å; Y1225-G1259 WeakPolarHBondContact O-CA 3.5Å; Y1225-Q1260 PolarHBondContact O-N 3.25Å | ||
| 1226 | Q | 96 | Very high | 90.4 | Very high | 30 Ų | 30 | 30.5 Ų | 30.5 | 14% | 0.14 | 18% | 0.177 | C | C | . | . | B | Isolated β-bridge | trans | -135.6 | 151.8 | 177.7 | -74.1 | -179 | -27.9 | 0 | 0 | 109.7 | E1217 S1218 F1224 G1259 L1263 | E1217-Q1226 CarbonylContact C-O 3.32Å; E1217-Q1226 WeakPolarHBondContact CA-O 3.44Å; S1218-Q1226 PolarHBondContact N-O 2.64Å; S1218-Q1226 PolarHBondContact O-N 2.94Å; F1224-Q1226 HydrophobicContact CD1-CG 4.44Å; F1224-Q1226 HydrophobicContact CE1-CG 4.44Å; Q1226-G1259 VanDerWaalsContact CG-C 3.49Å; Q1226-G1259 WeakPolarHBondContact CG-O 3.33Å; Q1226-G1259 PolarHBondContact NE2-O 3.19Å; Q1226-L1263 HydrophobicContact CB-CD2 4.01Å; Q1226-L1263 HydrophobicContact CG-CB 4.29Å; Q1226-L1263 HydrophobicContact CG-CD2 4.26Å |
| 1227 | N | 97 | Very high | 90.8 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.172 | C | C | . | . | trans | -143.9 | 103.9 | 172.9 | -179.3 | -33.8 | 0 | 0 | 0 | 107.5 | A1229 E1230 A1231 Q1260 V1303 | N1227-A1229 VanDerWaalsContact C-N 3.32Å; N1227-A1229 PolarHBondContact O-N 3.27Å; N1227-A1229 PolarHBondContact OD1-N 2.9Å; N1227-E1230 HydrophobicContact CB-CB 4.25Å; N1227-E1230 HydrophobicContact CB-CG 4.42Å; N1227-E1230 PolarHBondContact ND2-OE1 3.49Å; N1227-E1230 PolarHBondContact O-N 3.21Å; N1227-E1230 PolarHBondContact OD1-N 2.83Å; N1227-A1231 WeakPolarHBondContact O-CB 3.46Å; N1227-A1231 PolarHBondContact O-N 3.47Å; N1227-Q1260 PolarHBondContact O-NE2 3.01Å; N1227-Q1260 PolarHBondContact O-OE1 3.16Å; N1227-V1303 HydrophobicContact CB-CG1 3.91Å; N1227-V1303 WeakPolarHBondContact CB-O 3.39Å; N1227-V1303 PolarHBondContact ND2-O 2.82Å | ||
| 1228 | L | 96.7 | Very high | 91.2 | Very high | 75 Ų | 75 | 29.3 Ų | 29.3 | 39% | 0.393 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -63.6 | -38.8 | -174.2 | -179.1 | 61.9 | 0 | 0 | 0 | 111.9 | Y1212 A1231 E1232 L1263 I1267 | Y1212-L1228 HydrophobicContact CD1-CD2 4.08Å; Y1212-L1228 HydrophobicContact CE1-CD2 4.13Å; L1228-A1231 PolarHBondContact O-N 3.31Å; L1228-E1232 HydrophobicContact CD1-CG 3.92Å; L1228-E1232 HydrophobicContact CG-CG 4.31Å; L1228-E1232 WeakPolarHBondContact O-CB 3.06Å; L1228-E1232 WeakPolarHBondContact O-CG 3.44Å; L1228-E1232 PolarHBondContact O-N 2.77Å; L1228-L1263 HydrophobicContact CD1-CD1 4.39Å; L1228-L1263 HydrophobicContact CD1-CD2 4.37Å; L1228-I1267 HydrophobicContact CD1-CD1 4.17Å |
| 1229 | A | 97.3 | Very high | 91.4 | Very high | 2 Ų | 2 | 28.2 Ų | 28.2 | 2% | 0.017 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.5 | -51 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | V1209 N1227 A1231 Y1233 M1406 | V1209-A1229 HydrophobicContact CG1-CB 3.56Å; N1227-A1229 VanDerWaalsContact C-N 3.32Å; N1227-A1229 PolarHBondContact O-N 3.27Å; N1227-A1229 PolarHBondContact OD1-N 2.9Å; A1229-A1231 VanDerWaalsContact C-N 3.31Å; A1229-A1231 PolarHBondContact O-N 3.46Å; A1229-Y1233 VanDerWaalsContact O-CB 3.26Å; A1229-Y1233 WeakPolarHBondContact O-CB 3.34Å; A1229-Y1233 PolarHBondContact O-N 3.29Å; A1229-M1406 HydrophobicContact CB-CE 4.43Å; A1229-M1406 VanDerWaalsContact O-CG 3.32Å; A1229-M1406 WeakPolarHBondContact O-CG 3.31Å |
| 1230 | E | 98 | Very high | 91.9 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -64.4 | -36.5 | 177 | -70.7 | -172.6 | -151.9 | 0 | 0 | 112.4 | V1209 N1227 A1234 S1301 L1302 V1303 L1331 | V1209-E1230 HydrophobicContact CB-CG 3.92Å; V1209-E1230 HydrophobicContact CG1-CG 3.94Å; V1209-E1230 HydrophobicContact CG2-CG 4.07Å; N1227-E1230 HydrophobicContact CB-CB 4.25Å; N1227-E1230 HydrophobicContact CB-CG 4.42Å; N1227-E1230 PolarHBondContact ND2-OE1 3.49Å; N1227-E1230 PolarHBondContact O-N 3.21Å; N1227-E1230 PolarHBondContact OD1-N 2.83Å; E1230-A1234 VanDerWaalsContact O-CB 3.31Å; E1230-A1234 WeakPolarHBondContact O-CB 3.44Å; E1230-A1234 PolarHBondContact O-N 3.44Å; E1230-S1301 WeakPolarHBondContact CB-OG 3.33Å; E1230-S1301 WeakPolarHBondContact OE2-CA 3.47Å; E1230-S1301 WeakPolarHBondContact OE2-CB 2.94Å; E1230-S1301 PolarHBondContact OE2-OG 2.8Å; E1230-L1302 PolarHBondContact OE2-N 3.17Å; E1230-V1303 PolarHBondContact OE1-N 3.5Å; E1230-V1303 WeakPolarHBondContact OE2-CA 2.84Å; E1230-V1303 PolarHBondContact OE2-N 2.79Å; E1230-L1331 HydrophobicContact CB-CB 4.29Å; E1230-L1331 HydrophobicContact CG-CB 4.05Å; E1230-L1331 VanDerWaalsContact O-CD1 3.24Å; E1230-L1331 WeakPolarHBondContact O-CD1 3.3Å |
| 1231 | A | 98 | Very high | 92.7 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -66.9 | -47.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | N1227 L1228 A1229 A1234 V1235 L1263 I1264 I1267 | N1227-A1231 WeakPolarHBondContact O-CB 3.46Å; N1227-A1231 PolarHBondContact O-N 3.47Å; L1228-A1231 PolarHBondContact O-N 3.31Å; A1229-A1231 VanDerWaalsContact C-N 3.31Å; A1229-A1231 PolarHBondContact O-N 3.46Å; A1231-A1234 PolarHBondContact O-N 3.18Å; A1231-V1235 WeakPolarHBondContact O-CG2 3.14Å; A1231-V1235 PolarHBondContact O-N 3.48Å; A1231-V1235 VanDerWaalsContact O-N 3.13Å; A1231-L1263 HydrophobicContact CB-CD2 3.78Å; A1231-L1263 HydrophobicContact CB-CG 3.85Å; A1231-I1264 HydrophobicContact CB-CG1 3.81Å; A1231-I1267 HydrophobicContact CB-CD1 3.6Å |
| 1232 | E | 97.8 | Very high | 93.7 | Very high | 29 Ų | 29 | 21.6 Ų | 21.6 | 14% | 0.136 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -63.6 | -42.1 | 175.6 | -72.8 | -76.1 | -159.3 | 0 | 0 | 111.5 | L1228 A1234 V1235 A1236 I1267 R1271 M1406 | L1228-E1232 HydrophobicContact CD1-CG 3.92Å; L1228-E1232 HydrophobicContact CG-CG 4.31Å; L1228-E1232 WeakPolarHBondContact O-CB 3.06Å; L1228-E1232 WeakPolarHBondContact O-CG 3.44Å; L1228-E1232 PolarHBondContact O-N 2.77Å; E1232-A1234 PolarHBondContact O-N 2.97Å; E1232-V1235 PolarHBondContact O-N 3.36Å; E1232-A1236 WeakPolarHBondContact O-CB 3.28Å; E1232-A1236 PolarHBondContact O-N 3.31Å; E1232-I1267 HydrophobicContact CG-CD1 4.08Å; E1232-I1267 WeakPolarHBondContact OE2-CG2 3.48Å; E1232-R1271 IonicContact OE1-CZ 3.38Å; E1232-R1271 IonicContact OE1-NE 3.33Å; E1232-R1271 IonicContact OE1-NH2 3.42Å; E1232-R1271 PolarHBondContact OE1-NH2 3.12Å; E1232-R1271 IonicContact OE2-CZ 3.61Å; E1232-R1271 IonicContact OE2-NE 2.74Å; E1232-R1271 PolarHBondContact OE2-NE 3.49Å; E1232-R1271 IonicContact OE2-NH2 3.74Å; E1232-R1271 PolarHBondContact OE2-NH2 3.17Å; E1232-M1406 HydrophobicContact CB-CE 4.27Å; E1232-M1406 HydrophobicContact CB-CG 4.08Å; E1232-M1406 HydrophobicContact CB-SD 3.79Å |
| 1233 | Y | 98.2 | Very high | 94.8 | Very high | 2 Ų | 2 | 18.5 Ų | 18.5 | 1% | 0.008 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -62.6 | -43.4 | 177.1 | -149.2 | -31.4 | 0 | 0 | 0 | 111 | I1207 V1209 A1229 V1235 A1236 I1237 L1331 L1375 I1403 M1406 M1409 | I1207-Y1233 HydrophobicContact CG2-CE2 3.99Å; V1209-Y1233 HydrophobicContact CG1-CD2 4.49Å; V1209-Y1233 HydrophobicContact CG2-CD2 3.92Å; V1209-Y1233 HydrophobicContact CG2-CE2 4.4Å; A1229-Y1233 VanDerWaalsContact O-CB 3.26Å; A1229-Y1233 WeakPolarHBondContact O-CB 3.34Å; A1229-Y1233 PolarHBondContact O-N 3.29Å; Y1233-V1235 VanDerWaalsContact C-N 3.35Å; Y1233-V1235 PolarHBondContact O-N 3.44Å; Y1233-A1236 PolarHBondContact O-N 2.73Å; Y1233-I1237 HydrophobicContact CD1-CD1 3.85Å; Y1233-I1237 HydrophobicContact CD1-CG1 3.97Å; Y1233-I1237 HydrophobicContact CE1-CD1 4.09Å; Y1233-I1237 HydrophobicContact CE1-CG1 4.19Å; Y1233-I1237 WeakPolarHBondContact O-CG1 3.32Å; Y1233-I1237 PolarHBondContact O-N 3.29Å; Y1233-L1331 HydrophobicContact CD1-CD2 4.07Å; Y1233-L1331 HydrophobicContact CD2-CD2 4.15Å; Y1233-L1331 HydrophobicContact CG-CD2 3.85Å; Y1233-L1375 HydrophobicContact CE1-CD2 3.84Å; Y1233-L1375 WeakPolarHBondContact OH-CB 3.5Å; Y1233-I1403 WeakPolarHBondContact OH-CG2 3.29Å; Y1233-M1406 HydrophobicContact CD2-CB 3.64Å; Y1233-M1406 HydrophobicContact CD2-CG 4.2Å; Y1233-M1406 HydrophobicContact CE2-CB 4.28Å; Y1233-M1406 HydrophobicContact CG-CB 4.2Å; Y1233-M1406 HydrophobicContact CG-CG 4.26Å; Y1233-M1409 HydrophobicContact CD1-CB 3.89Å; Y1233-M1409 HydrophobicContact CD1-CG 3.66Å; Y1233-M1409 HydrophobicContact CE1-CB 3.57Å; Y1233-M1409 HydrophobicContact CE1-CG 3.43Å; Y1233-M1409 VanDerWaalsContact CE1-CG 3.43Å; Y1233-M1409 HydrophobicContact CE1-SD 3.94Å |
| 1234 | A | 98.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -59.7 | -44.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | E1230 A1231 E1232 I1237 F1238 I1253 I1299 L1331 | E1230-A1234 VanDerWaalsContact O-CB 3.31Å; E1230-A1234 WeakPolarHBondContact O-CB 3.44Å; E1230-A1234 PolarHBondContact O-N 3.44Å; A1231-A1234 PolarHBondContact O-N 3.18Å; E1232-A1234 PolarHBondContact O-N 2.97Å; A1234-I1237 PolarHBondContact O-N 2.77Å; A1234-F1238 PolarHBondContact O-N 3.06Å; A1234-F1238 VanDerWaalsContact O-N 3.07Å; A1234-I1253 HydrophobicContact CB-CG2 4.13Å; A1234-I1299 HydrophobicContact CB-CG2 3.79Å; A1234-L1331 HydrophobicContact CB-CD1 3.59Å |
| 1235 | V | 97.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -68.8 | -38.5 | 177.9 | 179.7 | 0 | 0 | 0 | 0 | 111.1 | A1231 E1232 Y1233 I1237 F1238 M1239 I1264 I1267 V1268 | A1231-V1235 WeakPolarHBondContact O-CG2 3.14Å; A1231-V1235 PolarHBondContact O-N 3.48Å; A1231-V1235 VanDerWaalsContact O-N 3.13Å; E1232-V1235 PolarHBondContact O-N 3.36Å; Y1233-V1235 VanDerWaalsContact C-N 3.35Å; Y1233-V1235 PolarHBondContact O-N 3.44Å; V1235-I1237 PolarHBondContact O-N 2.82Å; V1235-F1238 WeakPolarHBondContact O-CB 3.45Å; V1235-F1238 PolarHBondContact O-N 3.25Å; V1235-M1239 HydrophobicContact CG1-CG 4.26Å; V1235-M1239 HydrophobicContact CG1-SD 4.03Å; V1235-M1239 VanDerWaalsContact O-CG 3.25Å; V1235-M1239 WeakPolarHBondContact O-CG 3.46Å; V1235-M1239 PolarHBondContact O-N 2.92Å; V1235-I1264 HydrophobicContact CG2-CG2 4.16Å; V1235-I1267 HydrophobicContact CB-CG2 3.87Å; V1235-I1267 HydrophobicContact CG1-CG2 3.97Å; V1235-I1267 HydrophobicContact CG2-CB 4.04Å; V1235-I1267 HydrophobicContact CG2-CG2 3.7Å; V1235-V1268 HydrophobicContact CB-CG2 4.43Å; V1235-V1268 HydrophobicContact CG1-CG2 4.06Å; V1235-V1268 HydrophobicContact CG2-CG2 3.54Å |
| 1236 | A | 97.8 | Very high | 96.2 | Very high | 4 Ų | 4 | 13.1 Ų | 13.1 | 3% | 0.033 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -62.3 | -42.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | E1232 Y1233 M1239 Y1240 M1409 V1410 V1413 | E1232-A1236 WeakPolarHBondContact O-CB 3.28Å; E1232-A1236 PolarHBondContact O-N 3.31Å; Y1233-A1236 PolarHBondContact O-N 2.73Å; A1236-M1239 PolarHBondContact O-N 3.41Å; A1236-Y1240 WeakPolarHBondContact O-CB 3.47Å; A1236-Y1240 PolarHBondContact O-N 2.9Å; A1236-M1409 HydrophobicContact CB-CG 3.68Å; A1236-V1410 HydrophobicContact CB-CG2 4.35Å; A1236-V1413 HydrophobicContact CB-CG2 4.17Å; A1236-V1413 WeakPolarHBondContact O-CG2 3.47Å |
| 1237 | I | 98 | Very high | 96 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -60.7 | -45.6 | 172.7 | -66.8 | 168.7 | 0 | 0 | 0 | 110.6 | F1200 I1207 Y1233 A1234 V1235 M1239 Y1240 M1241 I1299 L1331 L1375 M1409 | F1200-I1237 HydrophobicContact CE1-CG2 4.19Å; F1200-I1237 HydrophobicContact CZ-CG2 3.97Å; I1207-I1237 HydrophobicContact CD1-CD1 4.14Å; Y1233-I1237 HydrophobicContact CD1-CD1 3.85Å; Y1233-I1237 HydrophobicContact CD1-CG1 3.97Å; Y1233-I1237 HydrophobicContact CE1-CD1 4.09Å; Y1233-I1237 HydrophobicContact CE1-CG1 4.19Å; Y1233-I1237 WeakPolarHBondContact O-CG1 3.32Å; Y1233-I1237 PolarHBondContact O-N 3.29Å; A1234-I1237 PolarHBondContact O-N 2.77Å; V1235-I1237 PolarHBondContact O-N 2.82Å; I1237-M1239 PolarHBondContact O-N 2.9Å; I1237-Y1240 WeakPolarHBondContact O-CB 3.22Å; I1237-Y1240 PolarHBondContact O-N 3.38Å; I1237-M1241 HydrophobicContact CG2-CG 4.47Å; I1237-M1241 HydrophobicContact CG2-SD 4.22Å; I1237-M1241 VanDerWaalsContact O-CG 3.31Å; I1237-M1241 WeakPolarHBondContact O-CG 3.23Å; I1237-M1241 PolarHBondContact O-N 3.26Å; I1237-I1299 HydrophobicContact CB-CD1 4.04Å; I1237-I1299 HydrophobicContact CG2-CD1 3.65Å; I1237-I1299 HydrophobicContact CG2-CG1 3.99Å; I1237-L1331 HydrophobicContact CD1-CD2 4.03Å; I1237-L1375 HydrophobicContact CD1-CD2 3.99Å; I1237-L1375 HydrophobicContact CG1-CD2 3.93Å; I1237-M1409 HydrophobicContact CB-CE 4.5Å; I1237-M1409 HydrophobicContact CG1-CE 3.9Å |
| 1238 | F | 97.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -59.2 | -45.8 | 176.2 | 167.8 | -105 | 0 | 0 | 0 | 112.1 | A1234 V1235 Y1240 M1241 R1242 I1251 I1253 C1272 P1281 I1299 | A1234-F1238 PolarHBondContact O-N 3.06Å; A1234-F1238 VanDerWaalsContact O-N 3.07Å; V1235-F1238 WeakPolarHBondContact O-CB 3.45Å; V1235-F1238 PolarHBondContact O-N 3.25Å; F1238-Y1240 VanDerWaalsContact C-N 3.33Å; F1238-Y1240 PolarHBondContact O-N 2.83Å; F1238-M1241 PolarHBondContact O-N 2.94Å; F1238-R1242 HydrophobicContact CD2-CG 4.18Å; F1238-R1242 HydrophobicContact CE1-CG 4.03Å; F1238-R1242 HydrophobicContact CE2-CG 3.64Å; F1238-R1242 HydrophobicContact CZ-CG 3.56Å; F1238-R1242 WeakPolarHBondContact O-CG 3.47Å; F1238-R1242 PolarHBondContact O-N 2.66Å; F1238-I1251 HydrophobicContact CD2-CB 4.28Å; F1238-I1251 HydrophobicContact CD2-CD1 3.97Å; F1238-I1251 HydrophobicContact CD2-CG2 3.94Å; F1238-I1251 HydrophobicContact CE2-CB 4.43Å; F1238-I1251 HydrophobicContact CE2-CD1 4.08Å; F1238-I1253 HydrophobicContact CB-CD1 4.07Å; F1238-I1253 HydrophobicContact CG-CD1 4.49Å; F1238-C1272 HydrophobicContact CE1-CB 4.48Å; F1238-P1281 HydrophobicContact CD1-CG 4.12Å; F1238-P1281 HydrophobicContact CD2-CB 4.13Å; F1238-P1281 HydrophobicContact CD2-CG 3.7Å; F1238-P1281 HydrophobicContact CE1-CG 4.04Å; F1238-P1281 HydrophobicContact CE2-CB 3.87Å; F1238-P1281 HydrophobicContact CE2-CG 3.61Å; F1238-P1281 HydrophobicContact CG-CG 3.95Å; F1238-P1281 HydrophobicContact CZ-CB 4.37Å; F1238-P1281 HydrophobicContact CZ-CG 3.79Å; F1238-I1299 HydrophobicContact CB-CD1 3.92Å |
| 1239 | M | 95.8 | Very high | 95.8 | Very high | 25 Ų | 25 | 16.1 Ų | 16.1 | 12% | 0.123 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -59.8 | -45.1 | 176.9 | -70 | 171.9 | 64.4 | 0 | 0 | 111.2 | V1235 A1236 I1237 M1241 R1242 M1243 R1271 L1278 V1413 | V1235-M1239 HydrophobicContact CG1-CG 4.26Å; V1235-M1239 HydrophobicContact CG1-SD 4.03Å; V1235-M1239 VanDerWaalsContact O-CG 3.25Å; V1235-M1239 WeakPolarHBondContact O-CG 3.46Å; V1235-M1239 PolarHBondContact O-N 2.92Å; A1236-M1239 PolarHBondContact O-N 3.41Å; I1237-M1239 PolarHBondContact O-N 2.9Å; M1239-M1241 PolarHBondContact O-N 2.97Å; M1239-R1242 PolarHBondContact O-N 2.95Å; M1239-M1243 WeakPolarHBondContact O-CG 3.49Å; M1239-M1243 PolarHBondContact O-N 2.74Å; M1239-R1271 HydrophobicContact SD-CB 4.09Å; M1239-L1278 HydrophobicContact CB-CD2 4.38Å; M1239-L1278 HydrophobicContact CE-CD1 4Å; M1239-L1278 HydrophobicContact CG-CD1 4.15Å; M1239-V1413 HydrophobicContact CB-CG1 3.89Å; M1239-V1413 HydrophobicContact CE-CG1 3.93Å; M1239-V1413 HydrophobicContact SD-CG1 4.46Å |
| 1240 | Y | 96.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -57.5 | -48.6 | 175.2 | -180 | -121.2 | 0 | 0 | 0 | 112.3 | G1199 F1200 A1236 I1237 F1238 R1242 M1243 L1244 L1377 P1379 M1409 F1412 Y1416 | G1199-Y1240 WeakPolarHBondContact CA-OH 3.37Å; G1199-Y1240 PolarHBondContact O-OH 3.3Å; F1200-Y1240 HydrophobicContact CE1-CD1 4.42Å; F1200-Y1240 HydrophobicContact CE2-CD1 4.35Å; F1200-Y1240 HydrophobicContact CE2-CE1 4.35Å; F1200-Y1240 AromaticContact CZ-CD1 3.91Å; F1200-Y1240 HydrophobicContact CZ-CD1 3.91Å; F1200-Y1240 HydrophobicContact CZ-CE1 4.2Å; A1236-Y1240 WeakPolarHBondContact O-CB 3.47Å; A1236-Y1240 PolarHBondContact O-N 2.9Å; I1237-Y1240 WeakPolarHBondContact O-CB 3.22Å; I1237-Y1240 PolarHBondContact O-N 3.38Å; F1238-Y1240 VanDerWaalsContact C-N 3.33Å; F1238-Y1240 PolarHBondContact O-N 2.83Å; Y1240-R1242 VanDerWaalsContact C-N 3.32Å; Y1240-R1242 PolarHBondContact O-N 3.06Å; Y1240-M1243 HydrophobicContact CD2-CE 4.35Å; Y1240-M1243 PolarHBondContact O-N 3.19Å; Y1240-M1243 VanDerWaalsContact O-N 3.16Å; Y1240-L1244 HydrophobicContact CD1-CD1 4.07Å; Y1240-L1244 HydrophobicContact CD2-CG 4.45Å; Y1240-L1244 HydrophobicContact CE1-CD1 3.57Å; Y1240-L1244 HydrophobicContact CE1-CG 4.43Å; Y1240-L1244 HydrophobicContact CE2-CD1 4.07Å; Y1240-L1244 HydrophobicContact CE2-CD2 4.16Å; Y1240-L1244 HydrophobicContact CE2-CG 4.08Å; Y1240-L1244 WeakPolarHBondContact O-CG 3.38Å; Y1240-L1244 PolarHBondContact O-N 3.02Å; Y1240-L1377 HydrophobicContact CD1-CD1 4.33Å; Y1240-L1377 HydrophobicContact CD1-CD2 4.23Å; Y1240-L1377 HydrophobicContact CE1-CB 4.45Å; Y1240-L1377 HydrophobicContact CE1-CD1 4.02Å; Y1240-L1377 HydrophobicContact CE1-CD2 3.76Å; Y1240-L1377 HydrophobicContact CE1-CG 4.3Å; Y1240-P1379 WeakPolarHBondContact OH-CA 3.36Å; Y1240-M1409 HydrophobicContact CD1-CE 4.47Å; Y1240-M1409 HydrophobicContact CG-CE 4.35Å; Y1240-F1412 AromaticContact CD2-CE1 3.79Å; Y1240-F1412 HydrophobicContact CD2-CE1 3.79Å; Y1240-F1412 AromaticContact CE2-CE1 3.63Å; Y1240-F1412 HydrophobicContact CE2-CE1 3.63Å; Y1240-F1412 HydrophobicContact CE2-CZ 4.02Å; Y1240-F1412 HydrophobicContact CG-CE1 4.49Å; Y1240-Y1416 HydrophobicContact CD2-CD1 4.43Å; Y1240-Y1416 HydrophobicContact CE2-CD1 4.49Å; Y1240-Y1416 HydrophobicContact CE2-CD2 4.41Å; Y1240-Y1416 HydrophobicContact CE2-CE1 4.41Å; Y1240-Y1416 HydrophobicContact CE2-CE2 4.34Å; Y1240-Y1416 HydrophobicContact CE2-CG 4.49Å |
| 1241 | M | 96.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -58.9 | -42.3 | 176.4 | -68.3 | -179 | 77 | 0 | 0 | 112.2 | F1200 I1237 F1238 M1239 M1243 L1244 G1245 Y1246 I1251 Y1297 I1299 | F1200-M1241 HydrophobicContact CE2-CG 3.72Å; F1200-M1241 HydrophobicContact CE2-SD 4.32Å; F1200-M1241 HydrophobicContact CZ-CG 3.74Å; F1200-M1241 HydrophobicContact CZ-SD 4.25Å; I1237-M1241 HydrophobicContact CG2-CG 4.47Å; I1237-M1241 HydrophobicContact CG2-SD 4.22Å; I1237-M1241 VanDerWaalsContact O-CG 3.31Å; I1237-M1241 WeakPolarHBondContact O-CG 3.23Å; I1237-M1241 PolarHBondContact O-N 3.26Å; F1238-M1241 PolarHBondContact O-N 2.94Å; M1239-M1241 PolarHBondContact O-N 2.97Å; M1241-M1243 VanDerWaalsContact C-N 3.34Å; M1241-M1243 PolarHBondContact O-N 3.2Å; M1241-L1244 PolarHBondContact O-N 3.14Å; M1241-G1245 PolarHBondContact O-N 3.38Å; M1241-Y1246 HydrophobicContact CB-CD2 4.07Å; M1241-Y1246 HydrophobicContact CB-CG 4.07Å; M1241-Y1246 HydrophobicContact CE-CD1 3.4Å; M1241-Y1246 VanDerWaalsContact CE-CD1 3.4Å; M1241-Y1246 HydrophobicContact CE-CE1 3.47Å; M1241-Y1246 VanDerWaalsContact CE-CE1 3.47Å; M1241-Y1246 HydrophobicContact CE-CG 3.94Å; M1241-Y1246 WeakPolarHBondContact O-CB 3.47Å; M1241-Y1246 WeakPolarHBondContact O-CD2 3.3Å; M1241-Y1246 PolarHBondContact O-N 3.17Å; M1241-I1251 HydrophobicContact CB-CD1 3.73Å; M1241-I1251 HydrophobicContact CE-CD1 4Å; M1241-I1251 HydrophobicContact CE-CG1 3.96Å; M1241-I1251 HydrophobicContact SD-CD1 4.16Å; M1241-I1251 HydrophobicContact SD-CG1 4.44Å; M1241-I1251 HydrophobicContact SD-CG2 4.32Å; M1241-Y1297 HydrophobicContact CE-CD1 4.03Å; M1241-Y1297 HydrophobicContact CE-CD2 4.16Å; M1241-Y1297 HydrophobicContact CE-CG 3.67Å; M1241-I1299 HydrophobicContact SD-CD1 4.25Å |
| 1242 | R | 93.7 | Very high | 95.8 | Very high | 50 Ų | 50 | 20.7 Ų | 20.7 | 19% | 0.189 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -63.6 | -39.5 | 176.7 | -71.3 | -63.6 | -60.6 | 149.3 | 2.8 | 112.2 | F1238 M1239 Y1240 L1244 G1245 Y1246 L1277 L1278 | F1238-R1242 HydrophobicContact CD2-CG 4.18Å; F1238-R1242 HydrophobicContact CE1-CG 4.03Å; F1238-R1242 HydrophobicContact CE2-CG 3.64Å; F1238-R1242 HydrophobicContact CZ-CG 3.56Å; F1238-R1242 WeakPolarHBondContact O-CG 3.47Å; F1238-R1242 PolarHBondContact O-N 2.66Å; M1239-R1242 PolarHBondContact O-N 2.95Å; Y1240-R1242 VanDerWaalsContact C-N 3.32Å; Y1240-R1242 PolarHBondContact O-N 3.06Å; R1242-L1244 VanDerWaalsContact C-N 3.28Å; R1242-L1244 PolarHBondContact O-N 3.07Å; R1242-G1245 PolarHBondContact O-N 2.76Å; R1242-G1245 VanDerWaalsContact O-N 3.08Å; R1242-Y1246 WeakPolarHBondContact CD-O 3.4Å; R1242-Y1246 PolarHBondContact NH1-O 3.23Å; R1242-L1277 PolarHBondContact NE-O 2.88Å; R1242-L1277 PolarHBondContact NH2-O 3.15Å; R1242-L1278 HydrophobicContact CB-CD2 3.69Å; R1242-L1278 WeakPolarHBondContact CD-O 3.32Å; R1242-L1278 WeakPolarHBondContact CG-O 3.41Å; R1242-L1278 PolarHBondContact NE-O 2.92Å |
| 1243 | M | 91.7 | Very high | 95.8 | Very high | 10 Ų | 10 | 19.3 Ų | 19.3 | 5% | 0.049 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -67.5 | -26.2 | 174.8 | -66.8 | -175.6 | -64 | 0 | 0 | 113.4 | M1239 Y1240 M1241 G1245 L1278 V1413 Y1416 Y1417 L1424 | M1239-M1243 WeakPolarHBondContact O-CG 3.49Å; M1239-M1243 PolarHBondContact O-N 2.74Å; Y1240-M1243 HydrophobicContact CD2-CE 4.35Å; Y1240-M1243 PolarHBondContact O-N 3.19Å; Y1240-M1243 VanDerWaalsContact O-N 3.16Å; M1241-M1243 VanDerWaalsContact C-N 3.34Å; M1241-M1243 PolarHBondContact O-N 3.2Å; M1243-G1245 PolarHBondContact O-N 3.45Å; M1243-L1278 HydrophobicContact CG-CD2 4.21Å; M1243-V1413 HydrophobicContact CE-CB 4.34Å; M1243-V1413 HydrophobicContact CE-CG1 3.72Å; M1243-V1413 HydrophobicContact CE-CG2 4.48Å; M1243-Y1416 HydrophobicContact CB-CD1 4.02Å; M1243-Y1416 HydrophobicContact CB-CE1 3.9Å; M1243-Y1416 HydrophobicContact CE-CD1 3.72Å; M1243-Y1416 HydrophobicContact CE-CG 4.4Å; M1243-Y1416 HydrophobicContact SD-CD1 3.89Å; M1243-Y1417 HydrophobicContact CG-CD2 4.33Å; M1243-Y1417 VanDerWaalsContact SD-CA 3.54Å; M1243-Y1417 VanDerWaalsContact SD-CB 3.51Å; M1243-Y1417 HydrophobicContact SD-CD2 3.64Å; M1243-Y1417 HydrophobicContact SD-CG 4.07Å; M1243-L1424 HydrophobicContact CB-CD1 4.13Å; M1243-L1424 HydrophobicContact CG-CD1 3.98Å; M1243-L1424 WeakPolarHBondContact O-CD2 3.23Å |
| 1244 | L | 92.1 | Very high | 95.8 | Very high | 5 Ų | 5 | 19.2 Ų | 19.2 | 3% | 0.026 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -5 | 172 | -66.6 | 174.7 | 0 | 0 | 0 | 113.6 | P1198 Y1240 M1241 R1242 Y1246 E1381 V1382 F1383 Y1416 | P1198-L1244 WeakPolarHBondContact O-CD1 3.42Å; Y1240-L1244 HydrophobicContact CD1-CD1 4.07Å; Y1240-L1244 HydrophobicContact CD2-CG 4.45Å; Y1240-L1244 HydrophobicContact CE1-CD1 3.57Å; Y1240-L1244 HydrophobicContact CE1-CG 4.43Å; Y1240-L1244 HydrophobicContact CE2-CD1 4.07Å; Y1240-L1244 HydrophobicContact CE2-CD2 4.16Å; Y1240-L1244 HydrophobicContact CE2-CG 4.08Å; Y1240-L1244 WeakPolarHBondContact O-CG 3.38Å; Y1240-L1244 PolarHBondContact O-N 3.02Å; M1241-L1244 PolarHBondContact O-N 3.14Å; R1242-L1244 VanDerWaalsContact C-N 3.28Å; R1242-L1244 PolarHBondContact O-N 3.07Å; L1244-Y1246 HydrophobicContact CB-CD2 3.89Å; L1244-Y1246 HydrophobicContact CB-CE2 3.97Å; L1244-Y1246 HydrophobicContact CD1-CE2 4.04Å; L1244-E1381 WeakPolarHBondContact CD2-O 3.06Å; L1244-V1382 HydrophobicContact CD2-CG1 4.2Å; L1244-F1383 WeakPolarHBondContact O-CB 3.35Å; L1244-F1383 PolarHBondContact O-N 3.16Å; L1244-Y1416 HydrophobicContact CD2-CE1 4.45Å; L1244-Y1416 VanDerWaalsContact CD2-OH 3.3Å; L1244-Y1416 WeakPolarHBondContact CD2-OH 3.41Å |
| 1245 | G | 91.2 | Very high | 95.8 | Very high | 43 Ų | 43 | 19.2 Ų | 19.2 | 44% | 0.443 | 10% | 0.101 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 94.1 | 11.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | M1241 R1242 M1243 | M1241-G1245 PolarHBondContact O-N 3.38Å; R1242-G1245 PolarHBondContact O-N 2.76Å; R1242-G1245 VanDerWaalsContact O-N 3.08Å; M1243-G1245 PolarHBondContact O-N 3.45Å |
| 1246 | Y | 94 | Very high | 95.5 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 11% | 0.105 | C | C | . | . | trans | -66.2 | 131.3 | 176.3 | -76.9 | -111.2 | 0 | 0 | 0 | 111 | N1197 P1198 M1241 R1242 L1244 Y1297 F1383 | N1197-Y1246 VanDerWaalsContact C-OH 3.28Å; P1198-Y1246 HydrophobicContact CB-CE2 4.17Å; P1198-Y1246 WeakPolarHBondContact CD-OH 3.46Å; P1198-Y1246 HydrophobicContact CG-CE2 4.13Å; P1198-Y1246 VanDerWaalsContact O-CE2 3.32Å; P1198-Y1246 WeakPolarHBondContact O-CE2 3.43Å; P1198-Y1246 PolarHBondContact O-OH 2.81Å; M1241-Y1246 HydrophobicContact CB-CD2 4.07Å; M1241-Y1246 HydrophobicContact CB-CG 4.07Å; M1241-Y1246 HydrophobicContact CE-CD1 3.4Å; M1241-Y1246 VanDerWaalsContact CE-CD1 3.4Å; M1241-Y1246 HydrophobicContact CE-CE1 3.47Å; M1241-Y1246 VanDerWaalsContact CE-CE1 3.47Å; M1241-Y1246 HydrophobicContact CE-CG 3.94Å; M1241-Y1246 WeakPolarHBondContact O-CB 3.47Å; M1241-Y1246 WeakPolarHBondContact O-CD2 3.3Å; M1241-Y1246 PolarHBondContact O-N 3.17Å; R1242-Y1246 WeakPolarHBondContact CD-O 3.4Å; R1242-Y1246 PolarHBondContact NH1-O 3.23Å; L1244-Y1246 HydrophobicContact CB-CD2 3.89Å; L1244-Y1246 HydrophobicContact CB-CE2 3.97Å; L1244-Y1246 HydrophobicContact CD1-CE2 4.04Å; Y1246-Y1297 AromaticContact CD1-CD2 3.8Å; Y1246-Y1297 HydrophobicContact CD1-CD2 3.8Å; Y1246-Y1297 HydrophobicContact CD1-CE1 4.42Å; Y1246-Y1297 AromaticContact CD1-CE2 3.56Å; Y1246-Y1297 HydrophobicContact CD1-CE2 3.56Å; Y1246-Y1297 HydrophobicContact CD1-CG 4.33Å; Y1246-Y1297 AromaticContact CD1-CZ 3.91Å; Y1246-Y1297 HydrophobicContact CE1-CD1 4.05Å; Y1246-Y1297 HydrophobicContact CE1-CD2 4Å; Y1246-Y1297 AromaticContact CE1-CE1 3.66Å; Y1246-Y1297 HydrophobicContact CE1-CE1 3.66Å; Y1246-Y1297 AromaticContact CE1-CE2 3.6Å; Y1246-Y1297 HydrophobicContact CE1-CE2 3.6Å; Y1246-Y1297 HydrophobicContact CE1-CG 4.22Å; Y1246-Y1297 AromaticContact CE1-CZ 3.42Å; Y1246-Y1297 VanDerWaalsContact CE1-CZ 3.42Å; Y1246-F1383 AromaticContact CD1-CD2 3.56Å; Y1246-F1383 HydrophobicContact CD1-CD2 3.56Å; Y1246-F1383 AromaticContact CD1-CE2 3.74Å; Y1246-F1383 HydrophobicContact CD1-CE2 3.74Å; Y1246-F1383 HydrophobicContact CD2-CB 3.95Å; Y1246-F1383 AromaticContact CD2-CD2 3.78Å; Y1246-F1383 HydrophobicContact CD2-CD2 3.78Å; Y1246-F1383 HydrophobicContact CD2-CG 4.18Å; Y1246-F1383 AromaticContact CE1-CD2 3.71Å; Y1246-F1383 HydrophobicContact CE1-CD2 3.71Å; Y1246-F1383 AromaticContact CE1-CE2 3.97Å; Y1246-F1383 HydrophobicContact CE1-CE2 3.97Å; Y1246-F1383 HydrophobicContact CE2-CB 4.24Å; Y1246-F1383 AromaticContact CE2-CD2 3.93Å; Y1246-F1383 HydrophobicContact CE2-CD2 3.93Å; Y1246-F1383 HydrophobicContact CG-CB 4.46Å; Y1246-F1383 AromaticContact CG-CD2 3.63Å; Y1246-F1383 HydrophobicContact CG-CD2 3.63Å; Y1246-F1383 HydrophobicContact CG-CE2 4.18Å; Y1246-F1383 HydrophobicContact CG-CG 4.22Å; Y1246-F1383 AromaticContact CZ-CD2 3.91Å | ||
| 1247 | P | 93.3 | Very high | 95.4 | Very high | 27 Ų | 27 | 19.9 Ų | 19.9 | 18% | 0.175 | 10% | 0.104 | C | C | . | . | trans | -63.8 | 135.7 | 176.3 | -18.9 | 30.3 | 0 | 0 | 0 | 112.5 | E1249 R1250 F1383 | P1247-E1249 VanDerWaalsContact C-N 3.28Å; P1247-E1249 HydrophobicContact CB-CG 4.45Å; P1247-E1249 WeakPolarHBondContact CB-OE1 3.22Å; P1247-E1249 WeakPolarHBondContact CB-OE2 3.38Å; P1247-E1249 PolarHBondContact O-N 2.89Å; P1247-R1250 HydrophobicContact CB-CG 4.22Å; P1247-R1250 HydrophobicContact CG-CG 4.47Å; P1247-R1250 WeakPolarHBondContact O-CB 3.49Å; P1247-R1250 PolarHBondContact O-N 3Å; P1247-R1250 VanDerWaalsContact O-N 3.09Å; P1247-F1383 HydrophobicContact CG-CE1 4.17Å; P1247-F1383 HydrophobicContact CG-CZ 4.47Å | ||
| 1248 | A | 93.6 | Very high | 95 | Very high | 15 Ų | 15 | 22.9 Ų | 22.9 | 12% | 0.124 | 12% | 0.12 | C | C | . | . | G | 310 helix | trans | -65.4 | -32.8 | -173.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | R1250 I1251 S1280 A1282 | A1248-R1250 PolarHBondContact O-N 2.99Å; A1248-I1251 PolarHBondContact O-N 2.9Å; A1248-S1280 WeakPolarHBondContact CB-O 3.33Å; A1248-A1282 PolarHBondContact O-N 3.12Å |
| 1249 | E | 95 | Very high | 94.9 | Very high | 126 Ų | 126 | 22.9 Ų | 22.9 | 59% | 0.589 | 12% | 0.12 | S | C | * | . | G | 310 helix | trans | -65.2 | -19.5 | 175.7 | 72.4 | -79.4 | -172.5 | 0 | 0 | 113.3 | P1247 A1282 N1295 | P1247-E1249 VanDerWaalsContact C-N 3.28Å; P1247-E1249 HydrophobicContact CB-CG 4.45Å; P1247-E1249 WeakPolarHBondContact CB-OE1 3.22Å; P1247-E1249 WeakPolarHBondContact CB-OE2 3.38Å; P1247-E1249 PolarHBondContact O-N 2.89Å; E1249-A1282 WeakPolarHBondContact O-CB 3.38Å; E1249-N1295 PolarHBondContact O-ND2 2.96Å; E1249-N1295 PolarHBondContact O-OD1 2.65Å |
| 1250 | R | 96.2 | Very high | 95 | Very high | 99 Ų | 99 | 21.7 Ų | 21.7 | 37% | 0.374 | 11% | 0.114 | S | C | . | . | G | 310 helix | trans | -90.1 | -4.6 | 177.4 | -67.5 | -171.7 | -179.4 | -138.6 | 13.1 | 114.2 | P1247 A1248 N1295 D1296 Y1297 | P1247-R1250 HydrophobicContact CB-CG 4.22Å; P1247-R1250 HydrophobicContact CG-CG 4.47Å; P1247-R1250 WeakPolarHBondContact O-CB 3.49Å; P1247-R1250 PolarHBondContact O-N 3Å; P1247-R1250 VanDerWaalsContact O-N 3.09Å; A1248-R1250 PolarHBondContact O-N 2.99Å; R1250-N1295 VanDerWaalsContact C-CG 3.41Å; R1250-N1295 VanDerWaalsContact C-ND2 3.29Å; R1250-N1295 VanDerWaalsContact C-OD1 3.28Å; R1250-N1295 VanDerWaalsContact CA-OD1 3.28Å; R1250-N1295 WeakPolarHBondContact CA-OD1 3.21Å; R1250-N1295 VanDerWaalsContact O-CG 3.23Å; R1250-N1295 PolarHBondContact O-OD1 3.36Å; R1250-N1295 VanDerWaalsContact O-OD1 3.1Å; R1250-D1296 HydrophobicContact CB-CB 4.23Å; R1250-D1296 WeakPolarHBondContact CD-OD2 3.44Å; R1250-D1296 IonicContact CZ-OD2 3.89Å; R1250-D1296 IonicContact NE-OD2 3.46Å; R1250-D1296 IonicContact NH1-OD2 3.89Å; R1250-D1296 PolarHBondContact NH1-OD2 3.33Å; R1250-Y1297 HydrophobicContact CB-CD2 4.24Å; R1250-Y1297 PolarHBondContact O-N 3.48Å |
| 1251 | I | 98.1 | Very high | 95 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 135.6 | -177.8 | -50.1 | 166.2 | 0 | 0 | 0 | 110 | F1238 M1241 A1248 A1282 N1295 Y1297 I1299 | F1238-I1251 HydrophobicContact CD2-CB 4.28Å; F1238-I1251 HydrophobicContact CD2-CD1 3.97Å; F1238-I1251 HydrophobicContact CD2-CG2 3.94Å; F1238-I1251 HydrophobicContact CE2-CB 4.43Å; F1238-I1251 HydrophobicContact CE2-CD1 4.08Å; M1241-I1251 HydrophobicContact CB-CD1 3.73Å; M1241-I1251 HydrophobicContact CE-CD1 4Å; M1241-I1251 HydrophobicContact CE-CG1 3.96Å; M1241-I1251 HydrophobicContact SD-CD1 4.16Å; M1241-I1251 HydrophobicContact SD-CG1 4.44Å; M1241-I1251 HydrophobicContact SD-CG2 4.32Å; A1248-I1251 PolarHBondContact O-N 2.9Å; I1251-A1282 VanDerWaalsContact O-CB 3.27Å; I1251-A1282 WeakPolarHBondContact O-CB 3.27Å; I1251-A1282 PolarHBondContact O-N 3Å; I1251-N1295 PolarHBondContact N-ND2 3.2Å; I1251-Y1297 WeakPolarHBondContact CA-O 3.43Å; I1251-I1299 HydrophobicContact CG2-CD1 4.13Å |
| 1252 | S | 98.5 | Very high | 95 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 141.7 | 170.3 | -62.5 | 0 | 0 | 0 | 0 | 111.6 | K1283 N1295 Y1297 I1298 I1299 | S1252-K1283 WeakPolarHBondContact CA-O 3.26Å; S1252-N1295 PolarHBondContact OG-ND2 3.14Å; S1252-Y1297 PolarHBondContact N-O 3.49Å; S1252-I1298 WeakPolarHBondContact O-CA 3.41Å; S1252-I1299 PolarHBondContact O-N 2.96Å |
| 1253 | I | 98.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 117.9 | 176.8 | -48.9 | -176.1 | 0 | 0 | 0 | 108.3 | A1234 F1238 I1264 V1268 P1281 K1283 I1284 T1285 I1299 | A1234-I1253 HydrophobicContact CB-CG2 4.13Å; F1238-I1253 HydrophobicContact CB-CD1 4.07Å; F1238-I1253 HydrophobicContact CG-CD1 4.49Å; I1253-I1264 HydrophobicContact CB-CG2 4.39Å; I1253-I1264 HydrophobicContact CD1-CG2 4.06Å; I1253-I1264 HydrophobicContact CG2-CD1 3.92Å; I1253-I1264 HydrophobicContact CG2-CG2 3.99Å; I1253-V1268 HydrophobicContact CD1-CG2 4.5Å; I1253-P1281 HydrophobicContact CD1-CG 3.79Å; I1253-P1281 HydrophobicContact CG1-CB 4.28Å; I1253-P1281 HydrophobicContact CG1-CG 3.94Å; I1253-K1283 PolarHBondContact N-O 3.3Å; I1253-I1284 HydrophobicContact CB-CG1 4.37Å; I1253-I1284 WeakPolarHBondContact O-CA 3.43Å; I1253-T1285 PolarHBondContact O-N 3.06Å; I1253-I1299 CarbonylContact C-O 3.43Å; I1253-I1299 WeakPolarHBondContact CA-O 3.41Å; I1253-I1299 HydrophobicContact CG1-CB 4.32Å; I1253-I1299 HydrophobicContact CG1-CD1 4.32Å; I1253-I1299 HydrophobicContact CG2-CB 4.38Å; I1253-I1299 HydrophobicContact CG2-CG2 4.44Å |
| 1254 | L | 98.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 150.6 | 179 | -58.2 | -174.2 | 0 | 0 | 0 | 110.5 | T1285 V1287 Y1290 I1298 I1299 L1300 S1301 R1323 | L1254-T1285 WeakPolarHBondContact CA-O 3.49Å; L1254-T1285 HydrophobicContact CD2-CG2 3.83Å; L1254-V1287 HydrophobicContact CB-CG2 4.36Å; L1254-Y1290 HydrophobicContact CD1-CD1 3.66Å; L1254-Y1290 HydrophobicContact CD1-CE1 4.2Å; L1254-Y1290 HydrophobicContact CD1-CG 4.22Å; L1254-Y1290 HydrophobicContact CD2-CD1 3.78Å; L1254-Y1290 HydrophobicContact CD2-CD2 3.94Å; L1254-Y1290 HydrophobicContact CD2-CE1 4.31Å; L1254-Y1290 HydrophobicContact CD2-CE2 4.45Å; L1254-Y1290 HydrophobicContact CD2-CG 3.57Å; L1254-Y1290 HydrophobicContact CG-CD1 4.35Å; L1254-I1298 HydrophobicContact CB-CG2 4.3Å; L1254-I1298 HydrophobicContact CD1-CD1 4.17Å; L1254-I1298 HydrophobicContact CD1-CG2 3.74Å; L1254-I1298 HydrophobicContact CG-CD1 4.42Å; L1254-I1298 HydrophobicContact CG-CG2 3.91Å; L1254-I1299 PolarHBondContact N-O 3.32Å; L1254-L1300 HydrophobicContact CB-CD1 3.91Å; L1254-L1300 CarbonylContact O-C 3.32Å; L1254-L1300 WeakPolarHBondContact O-CA 3.4Å; L1254-S1301 PolarHBondContact O-N 3.48Å; L1254-R1323 HydrophobicContact CD1-CB 3.73Å; L1254-R1323 HydrophobicContact CD1-CG 3.6Å |
| 1255 | T | 97.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 160.1 | 173.8 | -179.7 | 0 | 0 | 0 | 0 | 111.9 | Y1257 Q1260 K1261 T1285 T1286 V1287 S1301 V1303 | T1255-Y1257 WeakPolarHBondContact CG2-O 3.35Å; T1255-Q1260 HydrophobicContact CG2-CB 4.07Å; T1255-Q1260 HydrophobicContact CG2-CG 4.24Å; T1255-Q1260 VanDerWaalsContact OG1-CB 3.3Å; T1255-Q1260 WeakPolarHBondContact OG1-CB 3.5Å; T1255-Q1260 VanDerWaalsContact OG1-CG 3.24Å; T1255-Q1260 WeakPolarHBondContact OG1-CG 3.31Å; T1255-K1261 HydrophobicContact CG2-CB 3.84Å; T1255-T1285 PolarHBondContact N-O 3.27Å; T1255-T1285 VanDerWaalsContact N-O 3.14Å; T1255-T1286 CarbonylContact O-C 3.59Å; T1255-T1286 WeakPolarHBondContact O-CA 3.33Å; T1255-V1287 PolarHBondContact O-N 3.13Å; T1255-S1301 VanDerWaalsContact CA-O 3.29Å; T1255-S1301 WeakPolarHBondContact CA-O 3.27Å; T1255-S1301 PolarHBondContact OG1-O 2.62Å; T1255-V1303 WeakPolarHBondContact OG1-CG2 3.13Å |
| 1256 | T | 93.1 | Very high | 95.9 | Very high | 12 Ų | 12 | 26.1 Ų | 26.1 | 7% | 0.074 | 13% | 0.127 | C | C | . | . | S | Bend | trans | -82.2 | -18.1 | -179.1 | 50.1 | 0 | 0 | 0 | 0 | 113.2 | S1301 L1302 I1311 | T1256-S1301 PolarHBondContact N-O 3.04Å; T1256-L1302 HydrophobicContact CG2-CD2 3.9Å; T1256-L1302 PolarHBondContact OG1-O 3.42Å; T1256-I1311 HydrophobicContact CG2-CD1 3.81Å; T1256-I1311 HydrophobicContact CG2-CG1 3.55Å |
| 1257 | Y | 93.9 | Very high | 96 | Very high | 6 Ų | 6 | 26.5 Ų | 26.5 | 2% | 0.024 | 13% | 0.129 | C | C | . | . | trans | -128 | 143.2 | -175.7 | -62.9 | -86.8 | 0 | 0 | 0 | 113 | Y1225 T1255 G1259 Q1260 K1261 V1303 R1304 G1309 H1310 | Y1225-Y1257 AromaticContact CD2-CD1 3.44Å; Y1225-Y1257 HydrophobicContact CD2-CD1 3.44Å; Y1225-Y1257 VanDerWaalsContact CD2-CD1 3.44Å; Y1225-Y1257 AromaticContact CD2-CE1 3.4Å; Y1225-Y1257 HydrophobicContact CD2-CE1 3.4Å; Y1225-Y1257 HydrophobicContact CD2-CG 4.17Å; Y1225-Y1257 HydrophobicContact CE2-CD1 4.33Å; Y1225-Y1257 AromaticContact CE2-CE1 3.92Å; Y1225-Y1257 HydrophobicContact CE2-CE1 3.92Å; Y1225-Y1257 HydrophobicContact CG-CD1 4.19Å; Y1225-Y1257 HydrophobicContact CG-CE1 4.27Å; T1255-Y1257 WeakPolarHBondContact CG2-O 3.35Å; Y1257-G1259 VanDerWaalsContact C-N 3.29Å; Y1257-G1259 PolarHBondContact O-N 3.25Å; Y1257-Q1260 PolarHBondContact O-N 3.05Å; Y1257-K1261 PolarHBondContact O-N 2.67Å; Y1257-K1261 VanDerWaalsContact O-N 3.12Å; Y1257-V1303 HydrophobicContact CD2-CB 3.71Å; Y1257-V1303 HydrophobicContact CD2-CG1 4.12Å; Y1257-V1303 HydrophobicContact CD2-CG2 3.81Å; Y1257-V1303 HydrophobicContact CE2-CB 4.2Å; Y1257-R1304 HydrophobicContact CE2-CG 3.53Å; Y1257-R1304 WeakPolarHBondContact OH-CD 3.4Å; Y1257-R1304 WeakPolarHBondContact OH-CG 3.49Å; Y1257-R1304 PolarHBondContact OH-NH1 3.05Å; Y1257-G1309 WeakPolarHBondContact OH-CA 3.46Å; Y1257-H1310 AromaticContact CD1-CD2 3.96Å; Y1257-H1310 AromaticContact CE1-CD2 3.36Å; Y1257-H1310 WeakPolarHBondContact CE1-CD2 3.18Å; Y1257-H1310 AromaticContact CE1-NE2 3.56Å; Y1257-H1310 AromaticContact CZ-CD2 3.87Å; Y1257-H1310 PolarHBondContact OH-N 2.76Å | ||
| 1258 | N | 91.5 | Very high | 96.1 | Very high | 63 Ų | 63 | 25.4 Ų | 25.4 | 34% | 0.337 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -65.4 | -33.7 | 178.6 | -167.9 | 63.6 | 0 | 0 | 0 | 111.9 | Q1260 K1261 H1262 T1286 | N1258-Q1260 PolarHBondContact O-N 3.37Å; N1258-K1261 VanDerWaalsContact O-CB 3.32Å; N1258-K1261 WeakPolarHBondContact O-CB 3.42Å; N1258-K1261 PolarHBondContact O-N 3.23Å; N1258-K1261 VanDerWaalsContact O-N 3.14Å; N1258-K1261 WeakPolarHBondContact OD1-CE 3.07Å; N1258-K1261 PolarHBondContact OD1-NZ 3.35Å; N1258-H1262 PolarHBondContact ND2-CD2 3.43Å; N1258-H1262 VanDerWaalsContact ND2-CD2 3.3Å; N1258-H1262 PolarHBondContact ND2-NE2 2.81Å; N1258-H1262 PolarHBondContact O-CD2 3.08Å; N1258-H1262 PolarHBondContact O-N 3.27Å; N1258-H1262 VanDerWaalsContact O-N 3.09Å; N1258-T1286 HydrophobicContact CB-CG2 4.3Å |
| 1259 | G | 94.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -59.7 | -44.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113 | F1224 Y1225 Q1226 Y1257 K1261 H1262 L1263 | F1224-G1259 VanDerWaalsContact CE1-CA 3.44Å; F1224-G1259 VanDerWaalsContact CZ-CA 3.43Å; Y1225-G1259 CarbonylContact O-C 3.53Å; Y1225-G1259 WeakPolarHBondContact O-CA 3.5Å; Q1226-G1259 VanDerWaalsContact CG-C 3.49Å; Q1226-G1259 WeakPolarHBondContact CG-O 3.33Å; Q1226-G1259 PolarHBondContact NE2-O 3.19Å; Y1257-G1259 VanDerWaalsContact C-N 3.29Å; Y1257-G1259 PolarHBondContact O-N 3.25Å; G1259-K1261 VanDerWaalsContact C-N 3.35Å; G1259-K1261 PolarHBondContact O-N 3.48Å; G1259-H1262 PolarHBondContact O-N 2.97Å; G1259-L1263 PolarHBondContact O-N 3.49Å |
| 1260 | Q | 97.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -64.6 | -37.2 | 173.5 | -171 | 76.7 | -24 | 0 | 0 | 112.4 | Y1225 N1227 T1255 Y1257 N1258 H1262 L1263 I1264 S1301 V1303 | Y1225-Q1260 PolarHBondContact O-N 3.25Å; N1227-Q1260 PolarHBondContact O-NE2 3.01Å; N1227-Q1260 PolarHBondContact O-OE1 3.16Å; T1255-Q1260 HydrophobicContact CG2-CB 4.07Å; T1255-Q1260 HydrophobicContact CG2-CG 4.24Å; T1255-Q1260 VanDerWaalsContact OG1-CB 3.3Å; T1255-Q1260 WeakPolarHBondContact OG1-CB 3.5Å; T1255-Q1260 VanDerWaalsContact OG1-CG 3.24Å; T1255-Q1260 WeakPolarHBondContact OG1-CG 3.31Å; Y1257-Q1260 PolarHBondContact O-N 3.05Å; N1258-Q1260 PolarHBondContact O-N 3.37Å; Q1260-H1262 VanDerWaalsContact C-N 3.3Å; Q1260-H1262 PolarHBondContact O-N 3.42Å; Q1260-L1263 PolarHBondContact O-N 2.94Å; Q1260-I1264 HydrophobicContact CG-CD1 3.75Å; Q1260-I1264 HydrophobicContact CG-CG1 4.23Å; Q1260-I1264 WeakPolarHBondContact O-CB 3.17Å; Q1260-I1264 VanDerWaalsContact O-CG1 3.28Å; Q1260-I1264 WeakPolarHBondContact O-CG1 3.43Å; Q1260-I1264 PolarHBondContact O-N 3.02Å; Q1260-S1301 PolarHBondContact NE2-OG 3.27Å; Q1260-V1303 HydrophobicContact CB-CG1 4.27Å; Q1260-V1303 HydrophobicContact CB-CG2 3.57Å; Q1260-V1303 HydrophobicContact CG-CG2 3.53Å |
| 1261 | K | 97.5 | Very high | 95.6 | Very high | 4 Ų | 4 | 35.1 Ų | 35.1 | 2% | 0.017 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -57.4 | -46.8 | 175.8 | 179.3 | -152.5 | 73.8 | 178.2 | 0 | 110.4 | T1255 Y1257 N1258 G1259 K1265 I1284 T1286 E1453 | T1255-K1261 HydrophobicContact CG2-CB 3.84Å; Y1257-K1261 PolarHBondContact O-N 2.67Å; Y1257-K1261 VanDerWaalsContact O-N 3.12Å; N1258-K1261 VanDerWaalsContact O-CB 3.32Å; N1258-K1261 WeakPolarHBondContact O-CB 3.42Å; N1258-K1261 PolarHBondContact O-N 3.23Å; N1258-K1261 VanDerWaalsContact O-N 3.14Å; N1258-K1261 WeakPolarHBondContact OD1-CE 3.07Å; N1258-K1261 PolarHBondContact OD1-NZ 3.35Å; G1259-K1261 VanDerWaalsContact C-N 3.35Å; G1259-K1261 PolarHBondContact O-N 3.48Å; K1261-K1265 WeakPolarHBondContact O-CG 3.39Å; K1261-K1265 PolarHBondContact O-N 2.87Å; K1261-I1284 HydrophobicContact CG-CG2 4.26Å; K1261-T1286 HydrophobicContact CB-CG2 4.44Å; K1261-E1453 IonicContact NZ-OE1 3.63Å; K1261-E1453 PolarHBondContact NZ-OE1 3.25Å; K1261-E1453 IonicContact NZ-OE2 3.28Å |
| 1262 | H | 96.2 | Very high | 95.2 | Very high | 34 Ų | 34 | 35.1 Ų | 35.1 | 16% | 0.157 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -63.5 | -48.1 | 177.6 | -73.5 | -74.5 | 0 | 0 | 0 | 111.2 | F1224 N1258 G1259 Q1260 I1264 K1265 D1266 | F1224-H1262 AromaticContact CE2-CD2 3.97Å; F1224-H1262 HydrophobicContact CZ-CB 4.23Å; F1224-H1262 AromaticContact CZ-CD2 3.91Å; N1258-H1262 PolarHBondContact ND2-CD2 3.43Å; N1258-H1262 VanDerWaalsContact ND2-CD2 3.3Å; N1258-H1262 PolarHBondContact ND2-NE2 2.81Å; N1258-H1262 PolarHBondContact O-CD2 3.08Å; N1258-H1262 PolarHBondContact O-N 3.27Å; N1258-H1262 VanDerWaalsContact O-N 3.09Å; G1259-H1262 PolarHBondContact O-N 2.97Å; Q1260-H1262 VanDerWaalsContact C-N 3.3Å; Q1260-H1262 PolarHBondContact O-N 3.42Å; H1262-I1264 VanDerWaalsContact C-N 3.34Å; H1262-I1264 PolarHBondContact O-N 2.89Å; H1262-K1265 WeakPolarHBondContact O-CB 3.47Å; H1262-K1265 PolarHBondContact O-N 2.84Å; H1262-K1265 VanDerWaalsContact O-N 3.09Å; H1262-D1266 VanDerWaalsContact O-CG 3.28Å; H1262-D1266 PolarHBondContact O-N 3.46Å |
| 1263 | L | 97.1 | Very high | 94 | Very high | 27 Ų | 27 | 36.9 Ų | 36.9 | 14% | 0.141 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -57 | -45.5 | 177.9 | -177.7 | 58.4 | 0 | 0 | 0 | 112.7 | Q1226 L1228 A1231 G1259 Q1260 K1265 D1266 I1267 | Q1226-L1263 HydrophobicContact CB-CD2 4.01Å; Q1226-L1263 HydrophobicContact CG-CB 4.29Å; Q1226-L1263 HydrophobicContact CG-CD2 4.26Å; L1228-L1263 HydrophobicContact CD1-CD1 4.39Å; L1228-L1263 HydrophobicContact CD1-CD2 4.37Å; A1231-L1263 HydrophobicContact CB-CD2 3.78Å; A1231-L1263 HydrophobicContact CB-CG 3.85Å; G1259-L1263 PolarHBondContact O-N 3.49Å; Q1260-L1263 PolarHBondContact O-N 2.94Å; L1263-K1265 PolarHBondContact O-N 3.11Å; L1263-D1266 PolarHBondContact O-N 3.49Å; L1263-I1267 HydrophobicContact CD1-CD1 4.04Å; L1263-I1267 HydrophobicContact CD1-CG1 4.35Å; L1263-I1267 HydrophobicContact CG-CD1 3.95Å; L1263-I1267 VanDerWaalsContact O-CG1 3.28Å; L1263-I1267 WeakPolarHBondContact O-CG1 3.33Å; L1263-I1267 PolarHBondContact O-N 3.21Å |
| 1264 | I | 98.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.7 | -43.4 | 177.1 | -68 | 168.5 | 0 | 0 | 0 | 110.7 | A1231 V1235 I1253 Q1260 H1262 D1266 I1267 V1268 I1284 | A1231-I1264 HydrophobicContact CB-CG1 3.81Å; V1235-I1264 HydrophobicContact CG2-CG2 4.16Å; I1253-I1264 HydrophobicContact CB-CG2 4.39Å; I1253-I1264 HydrophobicContact CD1-CG2 4.06Å; I1253-I1264 HydrophobicContact CG2-CD1 3.92Å; I1253-I1264 HydrophobicContact CG2-CG2 3.99Å; Q1260-I1264 HydrophobicContact CG-CD1 3.75Å; Q1260-I1264 HydrophobicContact CG-CG1 4.23Å; Q1260-I1264 WeakPolarHBondContact O-CB 3.17Å; Q1260-I1264 VanDerWaalsContact O-CG1 3.28Å; Q1260-I1264 WeakPolarHBondContact O-CG1 3.43Å; Q1260-I1264 PolarHBondContact O-N 3.02Å; H1262-I1264 VanDerWaalsContact C-N 3.34Å; H1262-I1264 PolarHBondContact O-N 2.89Å; I1264-D1266 VanDerWaalsContact C-N 3.3Å; I1264-D1266 PolarHBondContact O-N 2.87Å; I1264-I1267 PolarHBondContact O-N 3.43Å; I1264-V1268 HydrophobicContact CG2-CG2 4.29Å; I1264-V1268 WeakPolarHBondContact O-CB 3.27Å; I1264-V1268 WeakPolarHBondContact O-CG2 3.21Å; I1264-V1268 PolarHBondContact O-N 3.41Å; I1264-I1284 HydrophobicContact CB-CG2 4.09Å; I1264-I1284 HydrophobicContact CG2-CD1 4.3Å; I1264-I1284 HydrophobicContact CG2-CG2 3.69Å |
| 1265 | K | 96.8 | Very high | 92.1 | Very high | 71 Ų | 71 | 46.3 Ų | 46.3 | 31% | 0.309 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -58.6 | -43.3 | 176.3 | -79.6 | -173 | 171.6 | -162.8 | 0 | 111.7 | K1261 H1262 L1263 V1268 R1269 I1284 E1453 | K1261-K1265 WeakPolarHBondContact O-CG 3.39Å; K1261-K1265 PolarHBondContact O-N 2.87Å; H1262-K1265 WeakPolarHBondContact O-CB 3.47Å; H1262-K1265 PolarHBondContact O-N 2.84Å; H1262-K1265 VanDerWaalsContact O-N 3.09Å; L1263-K1265 PolarHBondContact O-N 3.11Å; K1265-V1268 PolarHBondContact O-N 2.94Å; K1265-R1269 WeakPolarHBondContact O-CB 3.2Å; K1265-R1269 PolarHBondContact O-N 3.11Å; K1265-I1284 WeakPolarHBondContact CE-O 3.39Å; K1265-I1284 HydrophobicContact CG-CB 3.95Å; K1265-I1284 HydrophobicContact CG-CD1 4.02Å; K1265-I1284 HydrophobicContact CG-CG2 3.79Å; K1265-E1453 IonicContact NZ-OE2 2.67Å; K1265-E1453 PolarHBondContact NZ-OE2 3.24Å |
| 1266 | D | 95.3 | Very high | 91.1 | Very high | 64 Ų | 64 | 50.1 Ų | 50.1 | 34% | 0.342 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -65.9 | -42.9 | -179.7 | -62.9 | -24.7 | 0 | 0 | 0 | 111.4 | H1262 L1263 I1264 R1269 R1270 | H1262-D1266 VanDerWaalsContact O-CG 3.28Å; H1262-D1266 PolarHBondContact O-N 3.46Å; L1263-D1266 PolarHBondContact O-N 3.49Å; I1264-D1266 VanDerWaalsContact C-N 3.3Å; I1264-D1266 PolarHBondContact O-N 2.87Å; D1266-R1269 PolarHBondContact O-N 2.9Å; D1266-R1270 WeakPolarHBondContact O-CB 3.26Å; D1266-R1270 VanDerWaalsContact O-CG 3.3Å; D1266-R1270 WeakPolarHBondContact O-CG 3.23Å; D1266-R1270 PolarHBondContact O-N 3.37Å |
| 1267 | I | 96.2 | Very high | 90.5 | Very high | 9 Ų | 9 | 50.7 Ų | 50.7 | 5% | 0.046 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65 | -44.9 | 176.4 | -62.9 | 165.8 | 0 | 0 | 0 | 110.9 | L1228 A1231 E1232 V1235 L1263 I1264 R1269 R1270 R1271 | L1228-I1267 HydrophobicContact CD1-CD1 4.17Å; A1231-I1267 HydrophobicContact CB-CD1 3.6Å; E1232-I1267 HydrophobicContact CG-CD1 4.08Å; E1232-I1267 WeakPolarHBondContact OE2-CG2 3.48Å; V1235-I1267 HydrophobicContact CB-CG2 3.87Å; V1235-I1267 HydrophobicContact CG1-CG2 3.97Å; V1235-I1267 HydrophobicContact CG2-CB 4.04Å; V1235-I1267 HydrophobicContact CG2-CG2 3.7Å; L1263-I1267 HydrophobicContact CD1-CD1 4.04Å; L1263-I1267 HydrophobicContact CD1-CG1 4.35Å; L1263-I1267 HydrophobicContact CG-CD1 3.95Å; L1263-I1267 VanDerWaalsContact O-CG1 3.28Å; L1263-I1267 WeakPolarHBondContact O-CG1 3.33Å; L1263-I1267 PolarHBondContact O-N 3.21Å; I1264-I1267 PolarHBondContact O-N 3.43Å; I1267-R1269 VanDerWaalsContact C-N 3.33Å; I1267-R1269 PolarHBondContact O-N 3.44Å; I1267-R1270 PolarHBondContact O-N 3.21Å; I1267-R1271 HydrophobicContact CG2-CG 4.24Å; I1267-R1271 WeakPolarHBondContact O-CB 3.38Å; I1267-R1271 PolarHBondContact O-N 3.48Å |
| 1268 | V | 95.8 | Very high | 90.2 | Very high | 3 Ų | 3 | 50.5 Ų | 50.5 | 2% | 0.018 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.4 | -44.8 | 175.6 | 170.1 | 0 | 0 | 0 | 0 | 110.7 | V1235 I1253 I1264 K1265 R1270 R1271 C1272 G1273 I1284 | V1235-V1268 HydrophobicContact CB-CG2 4.43Å; V1235-V1268 HydrophobicContact CG1-CG2 4.06Å; V1235-V1268 HydrophobicContact CG2-CG2 3.54Å; I1253-V1268 HydrophobicContact CD1-CG2 4.5Å; I1264-V1268 HydrophobicContact CG2-CG2 4.29Å; I1264-V1268 WeakPolarHBondContact O-CB 3.27Å; I1264-V1268 WeakPolarHBondContact O-CG2 3.21Å; I1264-V1268 PolarHBondContact O-N 3.41Å; K1265-V1268 PolarHBondContact O-N 2.94Å; V1268-R1270 PolarHBondContact O-N 2.78Å; V1268-R1271 PolarHBondContact O-N 3.29Å; V1268-C1272 HydrophobicContact CG1-CB 4.23Å; V1268-C1272 WeakPolarHBondContact O-CA 3.37Å; V1268-C1272 VanDerWaalsContact O-CB 3.25Å; V1268-C1272 WeakPolarHBondContact O-CB 3.25Å; V1268-C1272 PolarHBondContact O-N 3.42Å; V1268-G1273 PolarHBondContact O-N 2.92Å; V1268-I1284 HydrophobicContact CB-CD1 4.08Å; V1268-I1284 HydrophobicContact CG1-CD1 4.24Å; V1268-I1284 HydrophobicContact CG2-CD1 3.8Å |
| 1269 | R | 92.8 | Very high | 90 | Very high | 150 Ų | 150 | 48.6 Ų | 48.6 | 57% | 0.566 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -61.1 | -45.7 | 178.2 | -171.4 | -179.3 | -176.7 | -175 | 3.8 | 111.4 | K1265 D1266 I1267 G1273 I1454 | K1265-R1269 WeakPolarHBondContact O-CB 3.2Å; K1265-R1269 PolarHBondContact O-N 3.11Å; D1266-R1269 PolarHBondContact O-N 2.9Å; I1267-R1269 VanDerWaalsContact C-N 3.33Å; I1267-R1269 PolarHBondContact O-N 3.44Å; R1269-G1273 WeakPolarHBondContact O-CA 3.3Å; R1269-G1273 PolarHBondContact O-N 3.32Å; R1269-G1273 VanDerWaalsContact O-N 3.16Å; R1269-I1454 VanDerWaalsContact NH1-CD1 3.29Å |
| 1270 | R | 91.7 | Very high | 90 | Very high | 187 Ų | 187 | 52 Ų | 52 | 71% | 0.706 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -67.9 | -40.5 | -179.7 | -71.1 | 175.8 | -172.1 | 176.1 | 3.7 | 113 | D1266 I1267 V1268 E1457 | D1266-R1270 WeakPolarHBondContact O-CB 3.26Å; D1266-R1270 VanDerWaalsContact O-CG 3.3Å; D1266-R1270 WeakPolarHBondContact O-CG 3.23Å; D1266-R1270 PolarHBondContact O-N 3.37Å; I1267-R1270 PolarHBondContact O-N 3.21Å; V1268-R1270 PolarHBondContact O-N 2.78Å; R1270-E1457 IonicContact NH2-OE1 3.21Å; R1270-E1457 PolarHBondContact NH2-OE1 2.85Å |
| 1271 | R | 89.6 | Confident | 89.8 | Confident | 107 Ų | 107 | 52.5 Ų | 52.5 | 40% | 0.404 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -91 | -34.4 | -175.3 | -65.7 | -171.9 | -178.2 | -89 | -2.2 | 114.4 | E1232 M1239 I1267 V1268 | E1232-R1271 IonicContact OE1-CZ 3.38Å; E1232-R1271 IonicContact OE1-NE 3.33Å; E1232-R1271 IonicContact OE1-NH2 3.42Å; E1232-R1271 PolarHBondContact OE1-NH2 3.12Å; E1232-R1271 IonicContact OE2-CZ 3.61Å; E1232-R1271 IonicContact OE2-NE 2.74Å; E1232-R1271 PolarHBondContact OE2-NE 3.49Å; E1232-R1271 IonicContact OE2-NH2 3.74Å; E1232-R1271 PolarHBondContact OE2-NH2 3.17Å; M1239-R1271 HydrophobicContact SD-CB 4.09Å; I1267-R1271 HydrophobicContact CG2-CG 4.24Å; I1267-R1271 WeakPolarHBondContact O-CB 3.38Å; I1267-R1271 PolarHBondContact O-N 3.48Å; V1268-R1271 PolarHBondContact O-N 3.29Å |
| 1272 | C | 89.2 | Confident | 89.7 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -115.7 | -26.1 | -170.2 | -48.9 | 0 | 0 | 0 | 0 | 113.7 | F1238 V1268 N1274 N1275 L1278 G1279 | F1238-C1272 HydrophobicContact CE1-CB 4.48Å; V1268-C1272 HydrophobicContact CG1-CB 4.23Å; V1268-C1272 WeakPolarHBondContact O-CA 3.37Å; V1268-C1272 VanDerWaalsContact O-CB 3.25Å; V1268-C1272 WeakPolarHBondContact O-CB 3.25Å; V1268-C1272 PolarHBondContact O-N 3.42Å; C1272-N1274 VanDerWaalsContact C-N 3.3Å; C1272-N1274 PolarHBondContact O-N 3.08Å; C1272-N1274 VanDerWaalsContact O-N 3.13Å; C1272-N1275 PolarHBondContact O-N 2.84Å; C1272-L1278 HydrophobicContact CB-CB 3.93Å; C1272-L1278 HydrophobicContact CB-CD1 4.4Å; C1272-G1279 WeakPolarHBondContact CB-O 3.16Å |
| 1273 | G | 73.3 | Confident | 89.7 | Confident | 38 Ų | 38 | 57 Ų | 57 | 39% | 0.392 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -36.3 | -165.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | V1268 R1269 | V1268-G1273 PolarHBondContact O-N 2.92Å; R1269-G1273 WeakPolarHBondContact O-CA 3.3Å; R1269-G1273 PolarHBondContact O-N 3.32Å; R1269-G1273 VanDerWaalsContact O-N 3.16Å |
| 1274 | N | 75.3 | Confident | 89.7 | Confident | 169 Ų | 169 | 56.7 Ų | 56.7 | 90% | 0.904 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.5 | 4.9 | 179.9 | -64.4 | -13.5 | 0 | 0 | 0 | 113.4 | C1272 P1276 | C1272-N1274 VanDerWaalsContact C-N 3.3Å; C1272-N1274 PolarHBondContact O-N 3.08Å; C1272-N1274 VanDerWaalsContact O-N 3.13Å; N1274-P1276 WeakPolarHBondContact O-CD 3.37Å |
| 1275 | N | 81.1 | Confident | 89.7 | Confident | 29 Ų | 29 | 57.2 Ų | 57.2 | 16% | 0.155 | 30% | 0.298 | C | S | . | . | trans | -106.7 | 105.3 | -177.1 | -169.5 | -19 | 0 | 0 | 0 | 110.4 | C1272 L1277 L1278 G1279 Y1417 | C1272-N1275 PolarHBondContact O-N 2.84Å; N1275-L1277 PolarHBondContact O-N 3.39Å; N1275-L1277 VanDerWaalsContact O-N 3.13Å; N1275-L1277 VanDerWaalsContact OD1-CB 3.27Å; N1275-L1277 WeakPolarHBondContact OD1-CB 3.42Å; N1275-L1277 PolarHBondContact OD1-N 2.89Å; N1275-L1278 HydrophobicContact CB-CB 4.35Å; N1275-L1278 HydrophobicContact CB-CD1 4.26Å; N1275-L1278 HydrophobicContact CB-CG 4.34Å; N1275-L1278 PolarHBondContact O-N 2.83Å; N1275-G1279 PolarHBondContact O-N 3.3Å; N1275-Y1417 PolarHBondContact ND2-OH 3.16Å | ||
| 1276 | P | 77.8 | Confident | 89.6 | Confident | 80 Ų | 80 | 54.5 Ų | 54.5 | 52% | 0.519 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -25.5 | 179.8 | -23.2 | 33.2 | 0 | 0 | 0 | 113.9 | N1274 W1428 | N1274-P1276 WeakPolarHBondContact O-CD 3.37Å; P1276-W1428 HydrophobicContact CB-CH2 4.33Å; P1276-W1428 HydrophobicContact CB-CZ2 3.51Å; P1276-W1428 HydrophobicContact CG-CZ2 4.25Å |
| 1277 | L | 80.2 | Confident | 89.5 | Confident | 23 Ų | 23 | 51.5 Ų | 51.5 | 12% | 0.12 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -37.1 | 176.3 | -58.9 | 171.5 | 0 | 0 | 0 | 111.4 | R1242 N1275 Y1417 L1424 R1425 W1428 | R1242-L1277 PolarHBondContact NE-O 2.88Å; R1242-L1277 PolarHBondContact NH2-O 3.15Å; N1275-L1277 PolarHBondContact O-N 3.39Å; N1275-L1277 VanDerWaalsContact O-N 3.13Å; N1275-L1277 VanDerWaalsContact OD1-CB 3.27Å; N1275-L1277 WeakPolarHBondContact OD1-CB 3.42Å; N1275-L1277 PolarHBondContact OD1-N 2.89Å; L1277-Y1417 HydrophobicContact CD1-CE2 4.44Å; L1277-L1424 HydrophobicContact CD1-CB 4.13Å; L1277-L1424 HydrophobicContact CD2-CB 4.4Å; L1277-L1424 WeakPolarHBondContact CD2-O 3.36Å; L1277-R1425 HydrophobicContact CD1-CG 4.18Å; L1277-W1428 HydrophobicContact CD2-CB 3.31Å; L1277-W1428 HydrophobicContact CD2-CD2 4.37Å; L1277-W1428 HydrophobicContact CD2-CG 3.54Å |
| 1278 | L | 86.8 | Confident | 89.1 | Confident | 2 Ų | 2 | 53.4 Ų | 53.4 | 1% | 0.01 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | -53.1 | -174.4 | -59.8 | 176.2 | 0 | 0 | 0 | 112 | M1239 R1242 M1243 C1272 N1275 | M1239-L1278 HydrophobicContact CB-CD2 4.38Å; M1239-L1278 HydrophobicContact CE-CD1 4Å; M1239-L1278 HydrophobicContact CG-CD1 4.15Å; R1242-L1278 HydrophobicContact CB-CD2 3.69Å; R1242-L1278 WeakPolarHBondContact CD-O 3.32Å; R1242-L1278 WeakPolarHBondContact CG-O 3.41Å; R1242-L1278 PolarHBondContact NE-O 2.92Å; M1243-L1278 HydrophobicContact CG-CD2 4.21Å; C1272-L1278 HydrophobicContact CB-CB 3.93Å; C1272-L1278 HydrophobicContact CB-CD1 4.4Å; N1275-L1278 HydrophobicContact CB-CB 4.35Å; N1275-L1278 HydrophobicContact CB-CD1 4.26Å; N1275-L1278 HydrophobicContact CB-CG 4.34Å; N1275-L1278 PolarHBondContact O-N 2.83Å |
| 1279 | G | 88.4 | Confident | 88.7 | Confident | 24 Ų | 24 | 59.5 Ų | 59.5 | 25% | 0.247 | 31% | 0.308 | C | S | . | . | trans | 62.6 | -152.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | C1272 N1275 | C1272-G1279 WeakPolarHBondContact CB-O 3.16Å; N1275-G1279 PolarHBondContact O-N 3.3Å | ||
| 1280 | S | 92.7 | Very high | 88.6 | Confident | 70 Ų | 70 | 52.8 Ų | 52.8 | 49% | 0.49 | 28% | 0.283 | S | S | . | . | trans | -119.4 | 146.1 | 177.3 | -70.5 | 0 | 0 | 0 | 0 | 111 | A1248 | A1248-S1280 WeakPolarHBondContact CB-O 3.33Š| ||
| 1281 | P | 95 | Very high | 88.2 | Confident | 11 Ų | 11 | 45 Ų | 45 | 7% | 0.071 | 26% | 0.255 | C | S | . | . | trans | -56.8 | 154 | 172.1 | -14.4 | 24.1 | 0 | 0 | 0 | 111.1 | F1238 I1253 K1283 I1284 | F1238-P1281 HydrophobicContact CD1-CG 4.12Å; F1238-P1281 HydrophobicContact CD2-CB 4.13Å; F1238-P1281 HydrophobicContact CD2-CG 3.7Å; F1238-P1281 HydrophobicContact CE1-CG 4.04Å; F1238-P1281 HydrophobicContact CE2-CB 3.87Å; F1238-P1281 HydrophobicContact CE2-CG 3.61Å; F1238-P1281 HydrophobicContact CG-CG 3.95Å; F1238-P1281 HydrophobicContact CZ-CB 4.37Å; F1238-P1281 HydrophobicContact CZ-CG 3.79Å; I1253-P1281 HydrophobicContact CD1-CG 3.79Å; I1253-P1281 HydrophobicContact CG1-CB 4.28Å; I1253-P1281 HydrophobicContact CG1-CG 3.94Å; P1281-K1283 PolarHBondContact O-N 3.37Å; P1281-I1284 HydrophobicContact CB-CG1 4.38Å; P1281-I1284 HydrophobicContact CG-CD1 4.14Å; P1281-I1284 HydrophobicContact CG-CG1 4.06Å | ||
| 1282 | A | 95.4 | Very high | 87.8 | Confident | 54 Ų | 54 | 41.9 Ų | 41.9 | 45% | 0.446 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -50.8 | -36.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113 | A1248 E1249 I1251 | A1248-A1282 PolarHBondContact O-N 3.12Å; E1249-A1282 WeakPolarHBondContact O-CB 3.38Å; I1251-A1282 VanDerWaalsContact O-CB 3.27Å; I1251-A1282 WeakPolarHBondContact O-CB 3.27Å; I1251-A1282 PolarHBondContact O-N 3Å |
| 1283 | K | 95.3 | Very high | 87.7 | Confident | 78 Ų | 78 | 43.4 Ų | 43.4 | 34% | 0.339 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 142.8 | 175.4 | -148.9 | 158.4 | -174.1 | 167.7 | 0 | 112.3 | S1252 I1253 P1281 T1285 Y1290 | S1252-K1283 WeakPolarHBondContact CA-O 3.26Å; I1253-K1283 PolarHBondContact N-O 3.3Å; P1281-K1283 PolarHBondContact O-N 3.37Å; K1283-T1285 HydrophobicContact CD-CG2 4.25Å; K1283-T1285 HydrophobicContact CG-CG2 4.07Å; K1283-Y1290 HydrophobicContact CB-CE2 4.1Å; K1283-Y1290 HydrophobicContact CD-CD2 3.86Å; K1283-Y1290 HydrophobicContact CD-CE2 3.71Å; K1283-Y1290 HydrophobicContact CG-CE2 4.36Å |
| 1284 | I | 98 | Very high | 88.5 | Confident | 21 Ų | 21 | 44.7 Ų | 44.7 | 11% | 0.108 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 107.3 | 168.1 | -55.6 | 167.1 | 0 | 0 | 0 | 107.2 | I1253 K1261 I1264 K1265 V1268 P1281 | I1253-I1284 HydrophobicContact CB-CG1 4.37Å; I1253-I1284 WeakPolarHBondContact O-CA 3.43Å; K1261-I1284 HydrophobicContact CG-CG2 4.26Å; I1264-I1284 HydrophobicContact CB-CG2 4.09Å; I1264-I1284 HydrophobicContact CG2-CD1 4.3Å; I1264-I1284 HydrophobicContact CG2-CG2 3.69Å; K1265-I1284 WeakPolarHBondContact CE-O 3.39Å; K1265-I1284 HydrophobicContact CG-CB 3.95Å; K1265-I1284 HydrophobicContact CG-CD1 4.02Å; K1265-I1284 HydrophobicContact CG-CG2 3.79Å; V1268-I1284 HydrophobicContact CB-CD1 4.08Å; V1268-I1284 HydrophobicContact CG1-CD1 4.24Å; V1268-I1284 HydrophobicContact CG2-CD1 3.8Å; P1281-I1284 HydrophobicContact CB-CG1 4.38Å; P1281-I1284 HydrophobicContact CG-CD1 4.14Å; P1281-I1284 HydrophobicContact CG-CG1 4.06Å |
| 1285 | T | 96.9 | Very high | 89.5 | Confident | 11 Ų | 11 | 37.4 Ų | 37.4 | 7% | 0.067 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 173.6 | -173.4 | -166.7 | 0 | 0 | 0 | 0 | 112.5 | I1253 L1254 T1255 K1283 K1289 Y1290 | I1253-T1285 PolarHBondContact O-N 3.06Å; L1254-T1285 WeakPolarHBondContact CA-O 3.49Å; L1254-T1285 HydrophobicContact CD2-CG2 3.83Å; T1255-T1285 PolarHBondContact N-O 3.27Å; T1255-T1285 VanDerWaalsContact N-O 3.14Å; K1283-T1285 HydrophobicContact CD-CG2 4.25Å; K1283-T1285 HydrophobicContact CG-CG2 4.07Å; T1285-K1289 WeakPolarHBondContact OG1-CB 3.29Å; T1285-Y1290 HydrophobicContact CG2-CD2 3.61Å; T1285-Y1290 HydrophobicContact CG2-CG 4.05Å |
| 1286 | T | 95 | Very high | 90.3 | Very high | 14 Ų | 14 | 36.8 Ų | 36.8 | 9% | 0.086 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 151.8 | 173 | 60.8 | 0 | 0 | 0 | 0 | 111.8 | T1255 N1258 K1261 D1288 K1289 Y1290 | T1255-T1286 CarbonylContact O-C 3.59Å; T1255-T1286 WeakPolarHBondContact O-CA 3.33Å; N1258-T1286 HydrophobicContact CB-CG2 4.3Å; K1261-T1286 HydrophobicContact CB-CG2 4.44Å; T1286-D1288 VanDerWaalsContact C-N 3.26Å; T1286-D1288 PolarHBondContact O-N 2.89Å; T1286-K1289 PolarHBondContact O-N 2.83Å; T1286-K1289 VanDerWaalsContact O-N 3.16Å; T1286-Y1290 PolarHBondContact O-N 2.98Å; T1286-Y1290 VanDerWaalsContact O-N 3.15Å |
| 1287 | V | 92.8 | Very high | 91.2 | Very high | 2 Ų | 2 | 33.5 Ų | 33.5 | 1% | 0.012 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.3 | -47 | 176.5 | 172.2 | 0 | 0 | 0 | 0 | 111.3 | L1254 T1255 K1289 Y1290 Q1291 L1300 V1319 A1320 | L1254-V1287 HydrophobicContact CB-CG2 4.36Å; T1255-V1287 PolarHBondContact O-N 3.13Å; V1287-K1289 PolarHBondContact O-N 3.47Å; V1287-Y1290 CarbonylContact O-C 3.38Å; V1287-Y1290 PolarHBondContact O-N 2.79Å; V1287-Q1291 PolarHBondContact O-N 2.95Å; V1287-L1300 HydrophobicContact CG2-CD1 3.75Å; V1287-V1319 HydrophobicContact CG1-CB 4.12Å; V1287-V1319 HydrophobicContact CG1-CG1 3.68Å; V1287-A1320 HydrophobicContact CG1-CB 3.92Å; V1287-A1320 HydrophobicContact CG2-CB 4.05Å |
| 1288 | D | 88.7 | Confident | 92.1 | Very high | 49 Ų | 49 | 32.4 Ų | 32.4 | 26% | 0.262 | 19% | 0.188 | S | C | . | . | G | 310 helix | trans | -60 | -45.3 | -179 | -60.3 | 9.2 | 0 | 0 | 0 | 112.4 | L1127 T1286 Y1290 Q1291 R1316 | L1127-D1288 HydrophobicContact CD1-CB 3.89Å; T1286-D1288 VanDerWaalsContact C-N 3.26Å; T1286-D1288 PolarHBondContact O-N 2.89Å; D1288-Y1290 PolarHBondContact O-N 3.31Å; D1288-Q1291 WeakPolarHBondContact O-CB 3.23Å; D1288-Q1291 PolarHBondContact O-N 3.12Å; D1288-R1316 IonicContact OD1-CZ 3.46Å; D1288-R1316 IonicContact OD1-NH1 3.67Å; D1288-R1316 PolarHBondContact OD1-NH1 3.14Å; D1288-R1316 IonicContact OD1-NH2 3.77Å; D1288-R1316 IonicContact OD2-CZ 3.51Å; D1288-R1316 IonicContact OD2-NH1 3.67Å; D1288-R1316 PolarHBondContact OD2-NH1 2.9Å; D1288-R1316 IonicContact OD2-NH2 3.81Å; D1288-R1316 PolarHBondContact OD2-NH2 2.79Å |
| 1289 | K | 87.8 | Confident | 92.7 | Very high | 131 Ų | 131 | 32.3 Ų | 32.3 | 57% | 0.57 | 19% | 0.187 | S | C | * | . | G | 310 helix | trans | -71.5 | -12.9 | 178.5 | -74 | -168.2 | 177.3 | -170.5 | 0 | 113.3 | T1285 T1286 V1287 | T1285-K1289 WeakPolarHBondContact OG1-CB 3.29Å; T1286-K1289 PolarHBondContact O-N 2.83Å; T1286-K1289 VanDerWaalsContact O-N 3.16Å; V1287-K1289 PolarHBondContact O-N 3.47Å |
| 1290 | Y | 90.1 | Very high | 93.2 | Very high | 8 Ų | 8 | 31.1 Ų | 31.1 | 3% | 0.031 | 18% | 0.175 | C | C | . | . | G | 310 helix | trans | -99.9 | 7 | 178.5 | -154.6 | -107.5 | 0 | 0 | 0 | 112.8 | L1254 K1283 T1285 T1286 V1287 D1288 Q1293 Q1294 I1298 R1323 | L1254-Y1290 HydrophobicContact CD1-CD1 3.66Å; L1254-Y1290 HydrophobicContact CD1-CE1 4.2Å; L1254-Y1290 HydrophobicContact CD1-CG 4.22Å; L1254-Y1290 HydrophobicContact CD2-CD1 3.78Å; L1254-Y1290 HydrophobicContact CD2-CD2 3.94Å; L1254-Y1290 HydrophobicContact CD2-CE1 4.31Å; L1254-Y1290 HydrophobicContact CD2-CE2 4.45Å; L1254-Y1290 HydrophobicContact CD2-CG 3.57Å; L1254-Y1290 HydrophobicContact CG-CD1 4.35Å; K1283-Y1290 HydrophobicContact CB-CE2 4.1Å; K1283-Y1290 HydrophobicContact CD-CD2 3.86Å; K1283-Y1290 HydrophobicContact CD-CE2 3.71Å; K1283-Y1290 HydrophobicContact CG-CE2 4.36Å; T1285-Y1290 HydrophobicContact CG2-CD2 3.61Å; T1285-Y1290 HydrophobicContact CG2-CG 4.05Å; T1286-Y1290 PolarHBondContact O-N 2.98Å; T1286-Y1290 VanDerWaalsContact O-N 3.15Å; V1287-Y1290 CarbonylContact O-C 3.38Å; V1287-Y1290 PolarHBondContact O-N 2.79Å; D1288-Y1290 PolarHBondContact O-N 3.31Å; Y1290-Q1293 HydrophobicContact CD1-CB 4.11Å; Y1290-Q1293 HydrophobicContact CD2-CB 3.98Å; Y1290-Q1293 HydrophobicContact CE1-CB 3.98Å; Y1290-Q1293 HydrophobicContact CE2-CB 3.85Å; Y1290-Q1293 HydrophobicContact CG-CB 4.12Å; Y1290-Q1293 PolarHBondContact O-N 3.35Å; Y1290-Q1293 VanDerWaalsContact O-N 3.15Å; Y1290-Q1294 VanDerWaalsContact OH-C 3.26Å; Y1290-Q1294 PolarHBondContact OH-O 3.33Å; Y1290-I1298 HydrophobicContact CE1-CD1 4.17Å; Y1290-R1323 HydrophobicContact CD1-CB 4.09Å; Y1290-R1323 HydrophobicContact CD1-CG 3.83Å; Y1290-R1323 HydrophobicContact CE1-CB 4.16Å; Y1290-R1323 HydrophobicContact CE1-CG 4.4Å; Y1290-R1323 PolarHBondContact O-NH1 2.84Å |
| 1291 | Q | 83.9 | Confident | 93.4 | Very high | 24 Ų | 24 | 27.8 Ų | 27.8 | 11% | 0.112 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | 148.2 | 172.3 | -167.4 | 175 | 7.3 | 0 | 0 | 110.8 | V1287 D1288 Q1293 V1319 | V1287-Q1291 PolarHBondContact O-N 2.95Å; D1288-Q1291 WeakPolarHBondContact O-CB 3.23Å; D1288-Q1291 PolarHBondContact O-N 3.12Å; Q1291-Q1293 PolarHBondContact O-N 2.82Å; Q1291-V1319 HydrophobicContact CB-CG1 4.4Å; Q1291-V1319 HydrophobicContact CG-CG1 4.47Å |
| 1292 | G | 79.4 | Confident | 93.4 | Very high | 41 Ų | 41 | 27.6 Ų | 27.6 | 42% | 0.423 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.4 | -25.3 | -170.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | R1323 | G1292-R1323 VanDerWaalsContact N-NH1 3.11Š|
| 1293 | Q | 87.3 | Confident | 93.4 | Very high | 32 Ų | 32 | 25 Ų | 25 | 15% | 0.15 | 13% | 0.129 | C | C | . | . | trans | -93.7 | 166.1 | 179.1 | -66.6 | 164.2 | 52.2 | 0 | 0 | 112.4 | Y1290 Q1291 R1323 | Y1290-Q1293 HydrophobicContact CD1-CB 4.11Å; Y1290-Q1293 HydrophobicContact CD2-CB 3.98Å; Y1290-Q1293 HydrophobicContact CE1-CB 3.98Å; Y1290-Q1293 HydrophobicContact CE2-CB 3.85Å; Y1290-Q1293 HydrophobicContact CG-CB 4.12Å; Y1290-Q1293 PolarHBondContact O-N 3.35Å; Y1290-Q1293 VanDerWaalsContact O-N 3.15Å; Q1291-Q1293 PolarHBondContact O-N 2.82Å; Q1293-R1323 WeakPolarHBondContact O-CD 3.49Å; Q1293-R1323 PolarHBondContact O-NH1 3.41Å | ||
| 1294 | Q | 90.4 | Very high | 93.1 | Very high | 66 Ų | 66 | 22.3 Ų | 22.3 | 31% | 0.308 | 12% | 0.117 | S | C | . | . | trans | -157.6 | 158.3 | -179.8 | 65.4 | -168.4 | 26.9 | 0 | 0 | 110.4 | Y1290 R1323 | Y1290-Q1294 VanDerWaalsContact OH-C 3.26Å; Y1290-Q1294 PolarHBondContact OH-O 3.33Å; Q1294-R1323 VanDerWaalsContact CA-O 3.27Å; Q1294-R1323 WeakPolarHBondContact CA-O 3.41Å; Q1294-R1323 WeakPolarHBondContact CB-O 3.44Å | ||
| 1295 | N | 96.8 | Very high | 92.5 | Very high | 16 Ų | 16 | 22.1 Ų | 22.1 | 9% | 0.086 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 167.4 | 168 | -144.8 | -19.4 | 0 | 0 | 0 | 111.5 | E1249 R1250 I1251 S1252 I1298 R1323 K1325 | E1249-N1295 PolarHBondContact O-ND2 2.96Å; E1249-N1295 PolarHBondContact O-OD1 2.65Å; R1250-N1295 VanDerWaalsContact C-CG 3.41Å; R1250-N1295 VanDerWaalsContact C-ND2 3.29Å; R1250-N1295 VanDerWaalsContact C-OD1 3.28Å; R1250-N1295 VanDerWaalsContact CA-OD1 3.28Å; R1250-N1295 WeakPolarHBondContact CA-OD1 3.21Å; R1250-N1295 VanDerWaalsContact O-CG 3.23Å; R1250-N1295 PolarHBondContact O-OD1 3.36Å; R1250-N1295 VanDerWaalsContact O-OD1 3.1Å; I1251-N1295 PolarHBondContact N-ND2 3.2Å; S1252-N1295 PolarHBondContact OG-ND2 3.14Å; N1295-I1298 HydrophobicContact CB-CD1 3.84Å; N1295-R1323 PolarHBondContact N-O 3.05Å; N1295-K1325 PolarHBondContact O-N 3.04Å |
| 1296 | D | 97.1 | Very high | 91.4 | Very high | 15 Ų | 15 | 26.2 Ų | 26.2 | 8% | 0.08 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | -45.9 | 178.8 | -68.1 | -0.2 | 0 | 0 | 0 | 110.2 | R1250 K1325 L1326 G1327 | R1250-D1296 HydrophobicContact CB-CB 4.23Å; R1250-D1296 WeakPolarHBondContact CD-OD2 3.44Å; R1250-D1296 IonicContact CZ-OD2 3.89Å; R1250-D1296 IonicContact NE-OD2 3.46Å; R1250-D1296 IonicContact NH1-OD2 3.89Å; R1250-D1296 PolarHBondContact NH1-OD2 3.33Å; D1296-K1325 WeakPolarHBondContact OD1-CD 3.16Å; D1296-K1325 IonicContact OD1-NZ 3.19Å; D1296-K1325 PolarHBondContact OD1-NZ 3.19Å; D1296-L1326 HydrophobicContact CB-CD1 4.14Å; D1296-L1326 HydrophobicContact CB-CG 4.37Å; D1296-L1326 WeakPolarHBondContact O-CA 3.5Å; D1296-L1326 WeakPolarHBondContact O-CB 3.47Å; D1296-L1326 PolarHBondContact O-N 3.23Å; D1296-G1327 PolarHBondContact O-N 3Å |
| 1297 | Y | 98.2 | Very high | 90.1 | Very high | 11 Ų | 11 | 26 Ų | 26 | 4% | 0.043 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 127.8 | -179.7 | -51.5 | -79.7 | 0 | 0 | 0 | 112.3 | N1197 M1241 Y1246 R1250 I1251 S1252 L1326 G1327 F1383 | N1197-Y1297 HydrophobicContact CB-CE1 4.48Å; M1241-Y1297 HydrophobicContact CE-CD1 4.03Å; M1241-Y1297 HydrophobicContact CE-CD2 4.16Å; M1241-Y1297 HydrophobicContact CE-CG 3.67Å; Y1246-Y1297 AromaticContact CD1-CD2 3.8Å; Y1246-Y1297 HydrophobicContact CD1-CD2 3.8Å; Y1246-Y1297 HydrophobicContact CD1-CE1 4.42Å; Y1246-Y1297 AromaticContact CD1-CE2 3.56Å; Y1246-Y1297 HydrophobicContact CD1-CE2 3.56Å; Y1246-Y1297 HydrophobicContact CD1-CG 4.33Å; Y1246-Y1297 AromaticContact CD1-CZ 3.91Å; Y1246-Y1297 HydrophobicContact CE1-CD1 4.05Å; Y1246-Y1297 HydrophobicContact CE1-CD2 4Å; Y1246-Y1297 AromaticContact CE1-CE1 3.66Å; Y1246-Y1297 HydrophobicContact CE1-CE1 3.66Å; Y1246-Y1297 AromaticContact CE1-CE2 3.6Å; Y1246-Y1297 HydrophobicContact CE1-CE2 3.6Å; Y1246-Y1297 HydrophobicContact CE1-CG 4.22Å; Y1246-Y1297 AromaticContact CE1-CZ 3.42Å; Y1246-Y1297 VanDerWaalsContact CE1-CZ 3.42Å; R1250-Y1297 HydrophobicContact CB-CD2 4.24Å; R1250-Y1297 PolarHBondContact O-N 3.48Å; I1251-Y1297 WeakPolarHBondContact CA-O 3.43Å; S1252-Y1297 PolarHBondContact N-O 3.49Å; Y1297-L1326 HydrophobicContact CD1-CB 4.47Å; Y1297-L1326 HydrophobicContact CE1-CB 3.91Å; Y1297-G1327 WeakPolarHBondContact CA-O 3.42Å; Y1297-F1383 HydrophobicContact CE2-CE2 4.3Å |
| 1298 | I | 98.5 | Very high | 89 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 128.2 | 178.3 | -59.5 | -62.7 | 0 | 0 | 0 | 110 | S1252 L1254 Y1290 N1295 L1300 R1323 A1324 G1327 L1328 Y1329 | S1252-I1298 WeakPolarHBondContact O-CA 3.41Å; L1254-I1298 HydrophobicContact CB-CG2 4.3Å; L1254-I1298 HydrophobicContact CD1-CD1 4.17Å; L1254-I1298 HydrophobicContact CD1-CG2 3.74Å; L1254-I1298 HydrophobicContact CG-CD1 4.42Å; L1254-I1298 HydrophobicContact CG-CG2 3.91Å; Y1290-I1298 HydrophobicContact CE1-CD1 4.17Å; N1295-I1298 HydrophobicContact CB-CD1 3.84Å; I1298-L1300 HydrophobicContact CG2-CB 4.38Å; I1298-R1323 HydrophobicContact CD1-CB 4.24Å; I1298-R1323 HydrophobicContact CG1-CB 4.04Å; I1298-A1324 HydrophobicContact CB-CB 3.98Å; I1298-A1324 HydrophobicContact CG1-CB 3.72Å; I1298-G1327 PolarHBondContact N-O 2.86Å; I1298-L1328 HydrophobicContact CB-CD1 3.91Å; I1298-L1328 HydrophobicContact CG2-CD1 3.83Å; I1298-L1328 WeakPolarHBondContact O-CA 3.25Å; I1298-Y1329 PolarHBondContact O-N 3.35Å |
| 1299 | I | 98.7 | Very high | 88.3 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 119.4 | 166.1 | -57 | 166.8 | 0 | 0 | 0 | 106.5 | A1234 I1237 F1238 M1241 I1251 S1252 I1253 L1254 Y1329 L1331 | A1234-I1299 HydrophobicContact CB-CG2 3.79Å; I1237-I1299 HydrophobicContact CB-CD1 4.04Å; I1237-I1299 HydrophobicContact CG2-CD1 3.65Å; I1237-I1299 HydrophobicContact CG2-CG1 3.99Å; F1238-I1299 HydrophobicContact CB-CD1 3.92Å; M1241-I1299 HydrophobicContact SD-CD1 4.25Å; I1251-I1299 HydrophobicContact CG2-CD1 4.13Å; S1252-I1299 PolarHBondContact O-N 2.96Å; I1253-I1299 CarbonylContact C-O 3.43Å; I1253-I1299 WeakPolarHBondContact CA-O 3.41Å; I1253-I1299 HydrophobicContact CG1-CB 4.32Å; I1253-I1299 HydrophobicContact CG1-CD1 4.32Å; I1253-I1299 HydrophobicContact CG2-CB 4.38Å; I1253-I1299 HydrophobicContact CG2-CG2 4.44Å; L1254-I1299 PolarHBondContact N-O 3.32Å; I1299-Y1329 CarbonylContact C-O 3.54Å; I1299-Y1329 WeakPolarHBondContact CA-O 3.28Å; I1299-L1331 HydrophobicContact CG2-CD1 4.37Å |
| 1300 | L | 98.3 | Very high | 87.7 | Confident | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 120.5 | -173.2 | 176 | 63.6 | 0 | 0 | 0 | 110.8 | L1254 V1287 I1298 L1302 A1320 L1328 Y1329 I1330 L1331 | L1254-L1300 HydrophobicContact CB-CD1 3.91Å; L1254-L1300 CarbonylContact O-C 3.32Å; L1254-L1300 WeakPolarHBondContact O-CA 3.4Å; V1287-L1300 HydrophobicContact CG2-CD1 3.75Å; I1298-L1300 HydrophobicContact CG2-CB 4.38Å; L1300-L1302 HydrophobicContact CD1-CD2 4.25Å; L1300-L1302 HydrophobicContact CD2-CD2 3.82Å; L1300-L1302 HydrophobicContact CG-CD2 3.84Å; L1300-A1320 HydrophobicContact CD2-CB 3.83Å; L1300-L1328 HydrophobicContact CB-CD1 4.28Å; L1300-Y1329 PolarHBondContact N-O 3.48Å; L1300-I1330 HydrophobicContact CB-CG1 4.36Å; L1300-I1330 HydrophobicContact CB-CG2 4.49Å; L1300-I1330 HydrophobicContact CD2-CG1 4.24Å; L1300-I1330 HydrophobicContact CD2-CG2 4.12Å; L1300-I1330 HydrophobicContact CG-CG2 4.34Å; L1300-I1330 CarbonylContact O-C 3.11Å; L1300-I1330 WeakPolarHBondContact O-CA 3.45Å; L1300-L1331 PolarHBondContact O-N 2.81Å |
| 1301 | S | 97.9 | Very high | 87 | Confident | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 121.5 | 172.3 | 165.4 | 0 | 0 | 0 | 0 | 111.3 | E1230 L1254 T1255 T1256 Q1260 | E1230-S1301 WeakPolarHBondContact CB-OG 3.33Å; E1230-S1301 WeakPolarHBondContact OE2-CA 3.47Å; E1230-S1301 WeakPolarHBondContact OE2-CB 2.94Å; E1230-S1301 PolarHBondContact OE2-OG 2.8Å; L1254-S1301 PolarHBondContact O-N 3.48Å; T1255-S1301 VanDerWaalsContact CA-O 3.29Å; T1255-S1301 WeakPolarHBondContact CA-O 3.27Å; T1255-S1301 PolarHBondContact OG1-O 2.62Å; T1256-S1301 PolarHBondContact N-O 3.04Å; Q1260-S1301 PolarHBondContact NE2-OG 3.27Å |
| 1302 | L | 94.8 | Very high | 86.6 | Confident | 6 Ų | 6 | 26.8 Ų | 26.8 | 3% | 0.031 | 14% | 0.144 | C | C | . | . | trans | -88.4 | -13.9 | -179.4 | -60.2 | -167.4 | 0 | 0 | 0 | 114 | E1230 T1256 L1300 R1304 I1311 I1330 L1331 A1332 F1337 | E1230-L1302 PolarHBondContact OE2-N 3.17Å; T1256-L1302 HydrophobicContact CG2-CD2 3.9Å; T1256-L1302 PolarHBondContact OG1-O 3.42Å; L1300-L1302 HydrophobicContact CD1-CD2 4.25Å; L1300-L1302 HydrophobicContact CD2-CD2 3.82Å; L1300-L1302 HydrophobicContact CG-CD2 3.84Å; L1302-R1304 PolarHBondContact O-N 3.37Å; L1302-I1311 HydrophobicContact CD2-CD1 4.44Å; L1302-I1311 HydrophobicContact CD2-CG1 4.27Å; L1302-I1330 HydrophobicContact CD1-CG2 3.99Å; L1302-I1330 HydrophobicContact CD2-CG2 4.41Å; L1302-I1330 HydrophobicContact CG-CG2 3.94Å; L1302-L1331 PolarHBondContact N-O 2.81Å; L1302-A1332 HydrophobicContact CB-CB 4.07Å; L1302-A1332 HydrophobicContact CD1-CB 3.75Å; L1302-A1332 HydrophobicContact CG-CB 4.07Å; L1302-F1337 HydrophobicContact CB-CE2 4Å; L1302-F1337 HydrophobicContact CB-CZ 3.74Å; L1302-F1337 HydrophobicContact CD1-CD1 4.29Å; L1302-F1337 HydrophobicContact CD1-CD2 4.2Å; L1302-F1337 HydrophobicContact CD1-CE1 3.79Å; L1302-F1337 HydrophobicContact CD1-CE2 3.72Å; L1302-F1337 HydrophobicContact CD1-CG 4.49Å; L1302-F1337 HydrophobicContact CD1-CZ 3.5Å; L1302-F1337 VanDerWaalsContact CD1-CZ 3.5Å; L1302-F1337 HydrophobicContact CG-CZ 4.25Å | ||
| 1303 | V | 94.8 | Very high | 86.4 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.135 | C | C | . | . | trans | 71.3 | -43.6 | 167.9 | -167.8 | 0 | 0 | 0 | 0 | 115.2 | N1227 E1230 T1255 Y1257 Q1260 | N1227-V1303 HydrophobicContact CB-CG1 3.91Å; N1227-V1303 WeakPolarHBondContact CB-O 3.39Å; N1227-V1303 PolarHBondContact ND2-O 2.82Å; E1230-V1303 PolarHBondContact OE1-N 3.5Å; E1230-V1303 WeakPolarHBondContact OE2-CA 2.84Å; E1230-V1303 PolarHBondContact OE2-N 2.79Å; T1255-V1303 WeakPolarHBondContact OG1-CG2 3.13Å; Y1257-V1303 HydrophobicContact CD2-CB 3.71Å; Y1257-V1303 HydrophobicContact CD2-CG1 4.12Å; Y1257-V1303 HydrophobicContact CD2-CG2 3.81Å; Y1257-V1303 HydrophobicContact CE2-CB 4.2Å; Q1260-V1303 HydrophobicContact CB-CG1 4.27Å; Q1260-V1303 HydrophobicContact CB-CG2 3.57Å; Q1260-V1303 HydrophobicContact CG-CG2 3.53Å | ||
| 1304 | R | 90 | Very high | 86.1 | Confident | 21 Ų | 21 | 26.3 Ų | 26.3 | 8% | 0.079 | 13% | 0.133 | C | C | . | . | trans | -80 | 135.5 | -167 | -56.9 | -60.9 | -63.2 | -88.6 | -2.5 | 112.9 | E1217 Y1257 L1302 A1307 L1336 | E1217-R1304 VanDerWaalsContact OE2-CA 3.3Å; E1217-R1304 WeakPolarHBondContact OE2-CA 3.03Å; E1217-R1304 IonicContact OE2-NE 2.69Å; E1217-R1304 PolarHBondContact OE2-NE 2.9Å; Y1257-R1304 HydrophobicContact CE2-CG 3.53Å; Y1257-R1304 WeakPolarHBondContact OH-CD 3.4Å; Y1257-R1304 WeakPolarHBondContact OH-CG 3.49Å; Y1257-R1304 PolarHBondContact OH-NH1 3.05Å; L1302-R1304 PolarHBondContact O-N 3.37Å; R1304-A1307 WeakPolarHBondContact CB-O 3.49Å; R1304-A1307 WeakPolarHBondContact CG-O 3.46Å; R1304-L1336 HydrophobicContact CB-CD2 4.08Å; R1304-L1336 VanDerWaalsContact O-CD2 3.31Å; R1304-L1336 WeakPolarHBondContact O-CD2 3.32Å | ||
| 1305 | S | 85.1 | Confident | 85.9 | Confident | 18 Ų | 18 | 25.8 Ų | 25.8 | 13% | 0.126 | 13% | 0.128 | C | C | . | . | S | Bend | trans | -116.7 | -20.8 | 171.6 | 47.9 | 0 | 0 | 0 | 0 | 114.1 | E1217 | E1217-S1305 VanDerWaalsContact CD-N 3.31Å; E1217-S1305 PolarHBondContact N-OG 3.1Å; E1217-S1305 PolarHBondContact OE1-OG 3.09Å; E1217-S1305 PolarHBondContact OE2-N 3.2Å |
| 1306 | Q | 73.1 | Confident | 85.5 | Confident | 97 Ų | 97 | 27.6 Ų | 27.6 | 45% | 0.453 | 13% | 0.134 | S | C | . | . | S | Bend | trans | -94.2 | -44 | -178.5 | -81.4 | 159.7 | 33.5 | 0 | 0 | 113.8 | T11 E1217 | T11-Q1306 HydrophobicContact CG2-CG 4.38Å; E1217-Q1306 VanDerWaalsContact CD-N 3.31Å; E1217-Q1306 WeakPolarHBondContact OE1-CB 3.27Å; E1217-Q1306 WeakPolarHBondContact OE1-CG 3.45Å; E1217-Q1306 PolarHBondContact OE1-N 3.29Å; E1217-Q1306 PolarHBondContact OE1-NE2 3.43Å; E1217-Q1306 VanDerWaalsContact OE1-NE2 3.13Å; E1217-Q1306 PolarHBondContact OE2-N 2.87Å |
| 1307 | A | 68.2 | Low | 85 | Confident | 8 Ų | 8 | 27.3 Ų | 27.3 | 7% | 0.066 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -147.8 | 142.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | I9 R1304 G1309 | I9-A1307 HydrophobicContact CB-CB 4.04Å; I9-A1307 HydrophobicContact CD1-CB 3.62Å; I9-A1307 HydrophobicContact CG1-CB 4.43Å; I9-A1307 HydrophobicContact CG2-CB 3.82Å; R1304-A1307 WeakPolarHBondContact CB-O 3.49Å; R1304-A1307 WeakPolarHBondContact CG-O 3.46Å; A1307-G1309 PolarHBondContact O-N 3.42Å |
| 1308 | V | 69.7 | Low | 84.6 | Confident | 22 Ų | 22 | 26.9 Ų | 26.9 | 13% | 0.133 | 13% | 0.13 | C | C | . | . | trans | -50.6 | -32.6 | -173.5 | -178.8 | 0 | 0 | 0 | 0 | 112.8 | I1311 R1312 L1336 F1337 C1340 | V1308-I1311 HydrophobicContact CG1-CB 4.45Å; V1308-I1311 HydrophobicContact CG1-CG2 4.48Å; V1308-R1312 HydrophobicContact CG1-CB 4.12Å; V1308-L1336 HydrophobicContact CG2-CD1 4.37Å; V1308-L1336 HydrophobicContact CG2-CG 4.13Å; V1308-F1337 HydrophobicContact CG1-CD1 4.05Å; V1308-F1337 HydrophobicContact CG1-CE1 3.77Å; V1308-C1340 HydrophobicContact CG2-CB 4.07Å | ||
| 1309 | G | 74.6 | Confident | 84.3 | Confident | 27 Ų | 27 | 26.9 Ų | 26.9 | 28% | 0.278 | 13% | 0.13 | S | C | . | . | G | 310 helix | trans | 67.8 | -143.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y1257 A1307 I1311 R1312 | Y1257-G1309 WeakPolarHBondContact OH-CA 3.46Å; A1307-G1309 PolarHBondContact O-N 3.42Å; G1309-I1311 PolarHBondContact O-N 3.15Å; G1309-R1312 WeakPolarHBondContact O-CB 3.29Å; G1309-R1312 PolarHBondContact O-N 3.37Å; G1309-R1312 VanDerWaalsContact O-N 3.12Å |
| 1310 | H | 74.3 | Confident | 84 | Confident | 88 Ų | 88 | 26.9 Ų | 26.9 | 41% | 0.407 | 13% | 0.13 | S | C | . | . | G | 310 helix | trans | -60.6 | -26.9 | -172.9 | -63.6 | -28.9 | 0 | 0 | 0 | 114.6 | Y1257 R1312 D1313 R1316 | Y1257-H1310 AromaticContact CD1-CD2 3.96Å; Y1257-H1310 AromaticContact CE1-CD2 3.36Å; Y1257-H1310 WeakPolarHBondContact CE1-CD2 3.18Å; Y1257-H1310 AromaticContact CE1-NE2 3.56Å; Y1257-H1310 AromaticContact CZ-CD2 3.87Å; Y1257-H1310 PolarHBondContact OH-N 2.76Å; H1310-R1312 PolarHBondContact O-N 3.41Å; H1310-D1313 PolarHBondContact O-N 3.28Å; H1310-D1313 VanDerWaalsContact O-N 3.15Å; H1310-R1316 WeakPolarHBondContact O-CD 3.24Å |
| 1311 | I | 76.9 | Confident | 83.8 | Confident | 4 Ų | 4 | 27 Ų | 27 | 2% | 0.021 | 13% | 0.131 | C | C | . | . | G | 310 helix | trans | -69.3 | -11.5 | 179.1 | -73.2 | -71.6 | 0 | 0 | 0 | 113.2 | T1256 L1302 V1308 G1309 D1313 R1316 L1317 A1320 F1337 | T1256-I1311 HydrophobicContact CG2-CD1 3.81Å; T1256-I1311 HydrophobicContact CG2-CG1 3.55Å; L1302-I1311 HydrophobicContact CD2-CD1 4.44Å; L1302-I1311 HydrophobicContact CD2-CG1 4.27Å; V1308-I1311 HydrophobicContact CG1-CB 4.45Å; V1308-I1311 HydrophobicContact CG1-CG2 4.48Å; G1309-I1311 PolarHBondContact O-N 3.15Å; I1311-D1313 CarbonylContact O-C 3.57Å; I1311-D1313 PolarHBondContact O-N 3.33Å; I1311-R1316 HydrophobicContact CD1-CB 4.23Å; I1311-L1317 HydrophobicContact CG2-CB 4.43Å; I1311-L1317 HydrophobicContact CG2-CD1 4.01Å; I1311-A1320 HydrophobicContact CD1-CB 4.46Å; I1311-F1337 HydrophobicContact CB-CE1 4.1Å; I1311-F1337 HydrophobicContact CG2-CD1 4.23Å; I1311-F1337 HydrophobicContact CG2-CE1 3.68Å |
| 1312 | R | 73.8 | Confident | 83.6 | Confident | 91 Ų | 91 | 27 Ų | 27 | 34% | 0.343 | 13% | 0.131 | S | C | . | . | G | 310 helix | trans | -57 | -29.9 | 169.3 | -168.8 | -180 | -175.9 | -151.1 | -3.2 | 111.4 | D101 V1308 G1309 H1310 L1314 E1342 | D101-R1312 IonicContact OD2-CZ 3.85Å; D101-R1312 VanDerWaalsContact OD2-CZ 3.27Å; D101-R1312 IonicContact OD2-NH1 3.59Å; D101-R1312 PolarHBondContact OD2-NH1 3.44Å; D101-R1312 IonicContact OD2-NH2 2.72Å; D101-R1312 PolarHBondContact OD2-NH2 3.07Å; V1308-R1312 HydrophobicContact CG1-CB 4.12Å; G1309-R1312 WeakPolarHBondContact O-CB 3.29Å; G1309-R1312 PolarHBondContact O-N 3.37Å; G1309-R1312 VanDerWaalsContact O-N 3.12Å; H1310-R1312 PolarHBondContact O-N 3.41Å; R1312-L1314 PolarHBondContact O-N 2.92Å; R1312-E1342 HydrophobicContact CG-CG 4.2Å; R1312-E1342 IonicContact CZ-OE1 3Å; R1312-E1342 VanDerWaalsContact NE-CD 3.35Å; R1312-E1342 IonicContact NE-OE1 3.31Å; R1312-E1342 PolarHBondContact NE-OE1 3.19Å; R1312-E1342 IonicContact NE-OE2 2.77Å; R1312-E1342 IonicContact NH2-OE1 2.81Å; R1312-E1342 PolarHBondContact NH2-OE1 2.75Å |
| 1313 | D | 76.3 | Confident | 83.6 | Confident | 42 Ų | 42 | 26.8 Ų | 26.8 | 23% | 0.225 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -73.2 | 108.4 | 167.5 | -173.3 | -13.2 | 0 | 0 | 0 | 110 | H1310 I1311 R1315 R1316 L1317 | H1310-D1313 PolarHBondContact O-N 3.28Å; H1310-D1313 VanDerWaalsContact O-N 3.15Å; I1311-D1313 CarbonylContact O-C 3.57Å; I1311-D1313 PolarHBondContact O-N 3.33Å; D1313-R1315 PolarHBondContact O-N 3.3Å; D1313-R1315 WeakPolarHBondContact OD1-CB 3.36Å; D1313-R1315 WeakPolarHBondContact OD1-CG 3.27Å; D1313-R1315 IonicContact OD1-CZ 2.71Å; D1313-R1315 PolarHBondContact OD1-N 2.86Å; D1313-R1315 IonicContact OD1-NE 3.85Å; D1313-R1315 PolarHBondContact OD1-NE 2.94Å; D1313-R1315 IonicContact OD1-NH2 3.46Å; D1313-R1315 IonicContact OD2-CZ 2.82Å; D1313-R1315 VanDerWaalsContact OD2-CZ 3.28Å; D1313-R1315 IonicContact OD2-NE 3.88Å; D1313-R1315 PolarHBondContact OD2-NE 3.32Å; D1313-R1315 IonicContact OD2-NH2 2.94Å; D1313-R1315 PolarHBondContact OD2-NH2 3.14Å; D1313-R1316 HydrophobicContact CB-CG 4.41Å; D1313-R1316 WeakPolarHBondContact O-CB 3.29Å; D1313-R1316 PolarHBondContact O-N 3.27Å; D1313-L1317 PolarHBondContact O-N 3.18Å |
| 1314 | L | 80.4 | Confident | 83.7 | Confident | 20 Ų | 20 | 26.9 Ų | 26.9 | 11% | 0.105 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -53.7 | -27.6 | 178.5 | -63.6 | 178.3 | 0 | 0 | 0 | 113.2 | W1176 R1312 R1316 L1317 V1318 L1343 H1346 I1348 | W1176-L1314 HydrophobicContact CH2-CD1 4.49Å; W1176-L1314 HydrophobicContact CH2-CD2 4.33Å; R1312-L1314 PolarHBondContact O-N 2.92Å; L1314-R1316 VanDerWaalsContact C-N 3.34Å; L1314-R1316 PolarHBondContact O-N 3.01Å; L1314-L1317 HydrophobicContact CD2-CD2 4.39Å; L1314-L1317 WeakPolarHBondContact O-CB 3.47Å; L1314-L1317 PolarHBondContact O-N 3.19Å; L1314-V1318 VanDerWaalsContact O-CG2 3.3Å; L1314-V1318 WeakPolarHBondContact O-CG2 3.48Å; L1314-V1318 PolarHBondContact O-N 3.44Å; L1314-L1343 HydrophobicContact CD2-CD2 3.53Å; L1314-H1346 VanDerWaalsContact CD1-CD2 3.43Å; L1314-H1346 WeakPolarHBondContact CD1-CD2 3.45Å; L1314-I1348 HydrophobicContact CD2-CD1 4.36Å |
| 1315 | R | 86.9 | Confident | 83.9 | Confident | 56 Ų | 56 | 28 Ų | 28 | 21% | 0.211 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -62.8 | -41.7 | 176.8 | -62.8 | 172.9 | -67.9 | -173.6 | 3.2 | 111.4 | H1125 Q1126 L1127 E1143 D1313 V1318 V1319 | H1125-R1315 WeakPolarHBondContact O-CA 3.43Å; Q1126-R1315 WeakPolarHBondContact O-CB 3.49Å; Q1126-R1315 VanDerWaalsContact O-CD 3.24Å; Q1126-R1315 WeakPolarHBondContact O-CD 3.26Å; Q1126-R1315 WeakPolarHBondContact O-CG 3.35Å; L1127-R1315 HydrophobicContact CD2-CB 4.49Å; E1143-R1315 IonicContact OE1-CZ 2.6Å; E1143-R1315 IonicContact OE1-NH1 3.56Å; E1143-R1315 PolarHBondContact OE1-NH1 2.77Å; E1143-R1315 IonicContact OE1-NH2 3.41Å; E1143-R1315 PolarHBondContact OE1-NH2 2.89Å; E1143-R1315 VanDerWaalsContact OE1-NH2 3.17Å; E1143-R1315 IonicContact OE2-NH2 3.38Å; D1313-R1315 PolarHBondContact O-N 3.3Å; D1313-R1315 WeakPolarHBondContact OD1-CB 3.36Å; D1313-R1315 WeakPolarHBondContact OD1-CG 3.27Å; D1313-R1315 IonicContact OD1-CZ 2.71Å; D1313-R1315 PolarHBondContact OD1-N 2.86Å; D1313-R1315 IonicContact OD1-NE 3.85Å; D1313-R1315 PolarHBondContact OD1-NE 2.94Å; D1313-R1315 IonicContact OD1-NH2 3.46Å; D1313-R1315 IonicContact OD2-CZ 2.82Å; D1313-R1315 VanDerWaalsContact OD2-CZ 3.28Å; D1313-R1315 IonicContact OD2-NE 3.88Å; D1313-R1315 PolarHBondContact OD2-NE 3.32Å; D1313-R1315 IonicContact OD2-NH2 2.94Å; D1313-R1315 PolarHBondContact OD2-NH2 3.14Å; R1315-V1318 PolarHBondContact O-N 2.93Å; R1315-V1319 WeakPolarHBondContact O-CG2 3.44Å; R1315-V1319 PolarHBondContact O-N 2.8Å |
| 1316 | R | 89.1 | Confident | 84.4 | Confident | 54 Ų | 54 | 27.8 Ų | 27.8 | 20% | 0.204 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -67.2 | -38.4 | 176.1 | -72.4 | 168.6 | 174.1 | -86.3 | -8.7 | 111.4 | L1127 D1288 H1310 I1311 D1313 L1314 V1319 A1320 | L1127-R1316 HydrophobicContact CD2-CB 4.24Å; L1127-R1316 HydrophobicContact CD2-CG 3.35Å; D1288-R1316 IonicContact OD1-CZ 3.46Å; D1288-R1316 IonicContact OD1-NH1 3.67Å; D1288-R1316 PolarHBondContact OD1-NH1 3.14Å; D1288-R1316 IonicContact OD1-NH2 3.77Å; D1288-R1316 IonicContact OD2-CZ 3.51Å; D1288-R1316 IonicContact OD2-NH1 3.67Å; D1288-R1316 PolarHBondContact OD2-NH1 2.9Å; D1288-R1316 IonicContact OD2-NH2 3.81Å; D1288-R1316 PolarHBondContact OD2-NH2 2.79Å; H1310-R1316 WeakPolarHBondContact O-CD 3.24Å; I1311-R1316 HydrophobicContact CD1-CB 4.23Å; D1313-R1316 HydrophobicContact CB-CG 4.41Å; D1313-R1316 WeakPolarHBondContact O-CB 3.29Å; D1313-R1316 PolarHBondContact O-N 3.27Å; L1314-R1316 VanDerWaalsContact C-N 3.34Å; L1314-R1316 PolarHBondContact O-N 3.01Å; R1316-V1319 PolarHBondContact O-N 3.47Å; R1316-A1320 WeakPolarHBondContact O-CB 3.35Å; R1316-A1320 PolarHBondContact O-N 3.03Å |
| 1317 | L | 86.5 | Confident | 85.6 | Confident | 9 Ų | 9 | 23.1 Ų | 23.1 | 5% | 0.047 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -63.5 | -47.1 | 175.6 | -175.6 | 61.7 | 0 | 0 | 0 | 111.7 | I1311 D1313 L1314 V1319 A1320 M1321 L1343 I1348 | I1311-L1317 HydrophobicContact CG2-CB 4.43Å; I1311-L1317 HydrophobicContact CG2-CD1 4.01Å; D1313-L1317 PolarHBondContact O-N 3.18Å; L1314-L1317 HydrophobicContact CD2-CD2 4.39Å; L1314-L1317 WeakPolarHBondContact O-CB 3.47Å; L1314-L1317 PolarHBondContact O-N 3.19Å; L1317-V1319 VanDerWaalsContact C-N 3.31Å; L1317-V1319 PolarHBondContact O-N 2.83Å; L1317-A1320 PolarHBondContact O-N 3.42Å; L1317-M1321 HydrophobicContact CD1-CE 3.41Å; L1317-M1321 VanDerWaalsContact CD1-CE 3.41Å; L1317-M1321 HydrophobicContact CD1-CG 4.07Å; L1317-M1321 HydrophobicContact CG-CG 4.38Å; L1317-M1321 VanDerWaalsContact O-CG 3.28Å; L1317-M1321 WeakPolarHBondContact O-CG 3.41Å; L1317-M1321 PolarHBondContact O-N 3.05Å; L1317-L1343 HydrophobicContact CD2-CD2 3.55Å; L1317-I1348 HydrophobicContact CD2-CD1 3.47Å; L1317-I1348 VanDerWaalsContact CD2-CD1 3.47Å |
| 1318 | V | 89.1 | Confident | 87 | Confident | 1 Ų | 1 | 22.8 Ų | 22.8 | 1% | 0.006 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -58.2 | -43.2 | 175.7 | 168 | 0 | 0 | 0 | 0 | 111.2 | Q1126 W1176 R1177 Y1178 L1314 R1315 S1322 | Q1126-V1318 HydrophobicContact CG-CG1 4.18Å; W1176-V1318 HydrophobicContact CH2-CG2 4.33Å; W1176-V1318 HydrophobicContact CZ2-CG2 4.21Å; R1177-V1318 HydrophobicContact CB-CG2 4.24Å; R1177-V1318 HydrophobicContact CG-CG2 4.22Å; Y1178-V1318 HydrophobicContact CE2-CG1 4.31Å; Y1178-V1318 VanDerWaalsContact OH-CG1 3.25Å; Y1178-V1318 WeakPolarHBondContact OH-CG1 3.27Å; L1314-V1318 VanDerWaalsContact O-CG2 3.3Å; L1314-V1318 WeakPolarHBondContact O-CG2 3.48Å; L1314-V1318 PolarHBondContact O-N 3.44Å; R1315-V1318 PolarHBondContact O-N 2.93Å; V1318-S1322 VanDerWaalsContact O-CB 3.26Å; V1318-S1322 WeakPolarHBondContact O-CB 3.5Å; V1318-S1322 PolarHBondContact O-N 2.87Å; V1318-S1322 PolarHBondContact O-OG 3.19Å |
| 1319 | V | 92.3 | Very high | 88.3 | Confident | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -62.9 | -49.7 | 175 | 174.5 | 0 | 0 | 0 | 0 | 110.7 | Q1126 L1127 V1287 Q1291 R1315 R1316 L1317 M1321 S1322 R1323 | Q1126-V1319 HydrophobicContact CB-CG2 3.92Å; Q1126-V1319 HydrophobicContact CG-CG2 3.92Å; L1127-V1319 HydrophobicContact CD1-CG2 4.47Å; L1127-V1319 HydrophobicContact CG-CG2 3.95Å; V1287-V1319 HydrophobicContact CG1-CB 4.12Å; V1287-V1319 HydrophobicContact CG1-CG1 3.68Å; Q1291-V1319 HydrophobicContact CB-CG1 4.4Å; Q1291-V1319 HydrophobicContact CG-CG1 4.47Å; R1315-V1319 WeakPolarHBondContact O-CG2 3.44Å; R1315-V1319 PolarHBondContact O-N 2.8Å; R1316-V1319 PolarHBondContact O-N 3.47Å; L1317-V1319 VanDerWaalsContact C-N 3.31Å; L1317-V1319 PolarHBondContact O-N 2.83Å; V1319-M1321 VanDerWaalsContact C-N 3.33Å; V1319-M1321 PolarHBondContact O-N 3.18Å; V1319-S1322 PolarHBondContact O-N 3.08Å; V1319-S1322 VanDerWaalsContact O-N 3.16Å; V1319-S1322 PolarHBondContact O-OG 3Å; V1319-R1323 VanDerWaalsContact O-CG 3.26Å; V1319-R1323 WeakPolarHBondContact O-CG 3.33Å; V1319-R1323 PolarHBondContact O-NE 2.76Å |
| 1320 | A | 92.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -56.3 | -44.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | V1287 L1300 I1311 R1316 L1317 S1322 | V1287-A1320 HydrophobicContact CG1-CB 3.92Å; V1287-A1320 HydrophobicContact CG2-CB 4.05Å; L1300-A1320 HydrophobicContact CD2-CB 3.83Å; I1311-A1320 HydrophobicContact CD1-CB 4.46Å; R1316-A1320 WeakPolarHBondContact O-CB 3.35Å; R1316-A1320 PolarHBondContact O-N 3.03Å; L1317-A1320 PolarHBondContact O-N 3.42Å; A1320-S1322 VanDerWaalsContact C-N 3.32Å; A1320-S1322 PolarHBondContact O-N 3.32Å |
| 1321 | M | 92.4 | Very high | 90.5 | Very high | 3 Ų | 3 | 16.3 Ų | 16.3 | 2% | 0.015 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -75.7 | -16.7 | -178.1 | -61.6 | -58.8 | 164.8 | 0 | 0 | 113.9 | L1173 Y1174 L1317 V1319 L1328 I1330 L1368 | L1173-M1321 HydrophobicContact CB-CB 4.09Å; L1173-M1321 HydrophobicContact CB-CG 4.36Å; L1173-M1321 HydrophobicContact CD1-SD 4.3Å; Y1174-M1321 HydrophobicContact CD1-CB 4.34Å; L1317-M1321 HydrophobicContact CD1-CE 3.41Å; L1317-M1321 VanDerWaalsContact CD1-CE 3.41Å; L1317-M1321 HydrophobicContact CD1-CG 4.07Å; L1317-M1321 HydrophobicContact CG-CG 4.38Å; L1317-M1321 VanDerWaalsContact O-CG 3.28Å; L1317-M1321 WeakPolarHBondContact O-CG 3.41Å; L1317-M1321 PolarHBondContact O-N 3.05Å; V1319-M1321 VanDerWaalsContact C-N 3.33Å; V1319-M1321 PolarHBondContact O-N 3.18Å; M1321-L1328 HydrophobicContact SD-CD2 3.78Å; M1321-I1330 HydrophobicContact CE-CD1 3.78Å; M1321-I1330 HydrophobicContact SD-CD1 3.74Å; M1321-L1368 HydrophobicContact CE-CD1 3.71Å; M1321-L1368 HydrophobicContact SD-CD1 4.4Å; M1321-L1368 HydrophobicContact SD-CD2 4.49Å |
| 1322 | S | 93.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 7% | 0.068 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | 5.1 | -176.5 | 58.3 | 0 | 0 | 0 | 0 | 114.8 | V1318 V1319 A1320 | V1318-S1322 VanDerWaalsContact O-CB 3.26Å; V1318-S1322 WeakPolarHBondContact O-CB 3.5Å; V1318-S1322 PolarHBondContact O-N 2.87Å; V1318-S1322 PolarHBondContact O-OG 3.19Å; V1319-S1322 PolarHBondContact O-N 3.08Å; V1319-S1322 VanDerWaalsContact O-N 3.16Å; V1319-S1322 PolarHBondContact O-OG 3Å; A1320-S1322 VanDerWaalsContact C-N 3.32Å; A1320-S1322 PolarHBondContact O-N 3.32Å |
| 1323 | R | 94.9 | Very high | 92 | Very high | 2 Ų | 2 | 13.3 Ų | 13.3 | 1% | 0.008 | 6% | 0.058 | C | C | . | . | S | Bend | trans | -82.8 | -21.9 | -178.8 | -59 | -52.4 | 91.9 | -178.5 | 8 | 114.1 | L1254 Y1290 G1292 Q1293 Q1294 N1295 I1298 V1319 | L1254-R1323 HydrophobicContact CD1-CB 3.73Å; L1254-R1323 HydrophobicContact CD1-CG 3.6Å; Y1290-R1323 HydrophobicContact CD1-CB 4.09Å; Y1290-R1323 HydrophobicContact CD1-CG 3.83Å; Y1290-R1323 HydrophobicContact CE1-CB 4.16Å; Y1290-R1323 HydrophobicContact CE1-CG 4.4Å; Y1290-R1323 PolarHBondContact O-NH1 2.84Å; G1292-R1323 VanDerWaalsContact N-NH1 3.11Å; Q1293-R1323 WeakPolarHBondContact O-CD 3.49Å; Q1293-R1323 PolarHBondContact O-NH1 3.41Å; Q1294-R1323 VanDerWaalsContact CA-O 3.27Å; Q1294-R1323 WeakPolarHBondContact CA-O 3.41Å; Q1294-R1323 WeakPolarHBondContact CB-O 3.44Å; N1295-R1323 PolarHBondContact N-O 3.05Å; I1298-R1323 HydrophobicContact CD1-CB 4.24Å; I1298-R1323 HydrophobicContact CG1-CB 4.04Å; V1319-R1323 VanDerWaalsContact O-CG 3.26Å; V1319-R1323 WeakPolarHBondContact O-CG 3.33Å; V1319-R1323 PolarHBondContact O-NE 2.76Å |
| 1324 | A | 96.9 | Very high | 92.5 | Very high | 1 Ų | 1 | 11.6 Ų | 11.6 | 1% | 0.008 | 5% | 0.049 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 136.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L1170 I1298 G1327 L1328 | L1170-A1324 HydrophobicContact CD1-CB 4.25Å; I1298-A1324 HydrophobicContact CB-CB 3.98Å; I1298-A1324 HydrophobicContact CG1-CB 3.72Å; A1324-G1327 WeakPolarHBondContact CB-O 3.49Å; A1324-L1328 HydrophobicContact CB-CB 3.84Å; A1324-L1328 HydrophobicContact CB-CD1 4.3Å; A1324-L1328 HydrophobicContact CB-CG 4.49Å |
| 1325 | K | 95.6 | Very high | 92.4 | Very high | 46 Ų | 46 | 13 Ų | 13 | 20% | 0.2 | 6% | 0.061 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | -45 | 171.7 | -54.7 | -174.4 | -155.7 | 142.4 | 0 | 113.2 | R1165 A1166 R1167 L1170 N1295 D1296 | R1165-K1325 HydrophobicContact CG-CG 4.49Å; R1165-K1325 WeakPolarHBondContact O-CB 3.23Å; R1165-K1325 WeakPolarHBondContact O-CG 3.4Å; A1166-K1325 WeakPolarHBondContact CA-O 3.24Å; R1167-K1325 PolarHBondContact N-O 3.02Å; L1170-K1325 WeakPolarHBondContact CD1-O 3.46Å; N1295-K1325 PolarHBondContact O-N 3.04Å; D1296-K1325 WeakPolarHBondContact OD1-CD 3.16Å; D1296-K1325 IonicContact OD1-NZ 3.19Å; D1296-K1325 PolarHBondContact OD1-NZ 3.19Å |
| 1326 | L | 95.6 | Very high | 91.8 | Very high | 12 Ų | 12 | 11 Ų | 11 | 6% | 0.063 | 5% | 0.054 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | -37.8 | -169.3 | -58.2 | -176.9 | 0 | 0 | 0 | 113 | R1167 Y1193 N1197 D1296 Y1297 | R1167-L1326 PolarHBondContact NH1-O 3.42Å; R1167-L1326 VanDerWaalsContact NH1-O 3.16Å; Y1193-L1326 HydrophobicContact CD1-CD2 3.79Å; Y1193-L1326 HydrophobicContact CE1-CD2 3.92Å; Y1193-L1326 HydrophobicContact CG-CD2 4.38Å; N1197-L1326 PolarHBondContact ND2-O 3.28Å; N1197-L1326 PolarHBondContact OD1-O 2.81Å; D1296-L1326 HydrophobicContact CB-CD1 4.14Å; D1296-L1326 HydrophobicContact CB-CG 4.37Å; D1296-L1326 WeakPolarHBondContact O-CA 3.5Å; D1296-L1326 WeakPolarHBondContact O-CB 3.47Å; D1296-L1326 PolarHBondContact O-N 3.23Å; Y1297-L1326 HydrophobicContact CD1-CB 4.47Å; Y1297-L1326 HydrophobicContact CE1-CB 3.91Å |
| 1327 | G | 96.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 8.8 Ų | 8.8 | 0% | 0 | 5% | 0.046 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 140.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | N1197 E1203 D1296 Y1297 I1298 A1324 | N1197-G1327 VanDerWaalsContact ND2-CA 3.25Å; N1197-G1327 WeakPolarHBondContact ND2-CA 3.13Å; E1203-G1327 WeakPolarHBondContact O-CA 3.3Å; D1296-G1327 PolarHBondContact O-N 3Å; Y1297-G1327 WeakPolarHBondContact CA-O 3.42Å; I1298-G1327 PolarHBondContact N-O 2.86Å; A1324-G1327 WeakPolarHBondContact CB-O 3.49Å |
| 1328 | L | 97.5 | Very high | 90.3 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 109.9 | -178.1 | 179 | 60.9 | 0 | 0 | 0 | 112.1 | L1170 L1173 E1203 Y1204 Q1205 I1298 L1300 M1321 A1324 I1330 | L1170-L1328 HydrophobicContact CD2-CB 3.74Å; L1170-L1328 HydrophobicContact CD2-CD2 4.45Å; L1173-L1328 HydrophobicContact CD1-CD2 3.84Å; E1203-L1328 PolarHBondContact O-N 3.16Å; Y1204-L1328 CarbonylContact C-O 3.23Å; Y1204-L1328 WeakPolarHBondContact CA-O 3.47Å; Y1204-L1328 VanDerWaalsContact CB-O 3.23Å; Y1204-L1328 WeakPolarHBondContact CB-O 3.39Å; Q1205-L1328 PolarHBondContact N-O 3.46Å; I1298-L1328 HydrophobicContact CB-CD1 3.91Å; I1298-L1328 HydrophobicContact CG2-CD1 3.83Å; I1298-L1328 WeakPolarHBondContact O-CA 3.25Å; L1300-L1328 HydrophobicContact CB-CD1 4.28Å; M1321-L1328 HydrophobicContact SD-CD2 3.78Å; A1324-L1328 HydrophobicContact CB-CB 3.84Å; A1324-L1328 HydrophobicContact CB-CD1 4.3Å; A1324-L1328 HydrophobicContact CB-CG 4.49Å; L1328-I1330 HydrophobicContact CD1-CG1 4.06Å; L1328-I1330 HydrophobicContact CD2-CD1 3.95Å; L1328-I1330 HydrophobicContact CD2-CG1 4.23Å; L1328-I1330 HydrophobicContact CG-CD1 4Å; L1328-I1330 HydrophobicContact CG-CG1 3.79Å |
| 1329 | Y | 98.1 | Very high | 88.8 | Confident | 1 Ų | 1 | 18.3 Ų | 18.3 | 0% | 0.004 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 115.4 | 179.5 | -55.8 | -77.1 | 0 | 0 | 0 | 109.5 | N1197 F1200 Y1202 I1298 I1299 L1300 L1375 | N1197-Y1329 WeakPolarHBondContact CB-OH 3.45Å; N1197-Y1329 PolarHBondContact ND2-OH 3.25Å; F1200-Y1329 HydrophobicContact CB-CE1 3.96Å; F1200-Y1329 WeakPolarHBondContact CB-OH 3.09Å; F1200-Y1329 AromaticContact CD1-CD1 3.98Å; F1200-Y1329 HydrophobicContact CD1-CD1 3.98Å; F1200-Y1329 AromaticContact CD1-CE1 3.29Å; F1200-Y1329 HydrophobicContact CD1-CE1 3.29Å; F1200-Y1329 HydrophobicContact CD1-CE2 4.29Å; F1200-Y1329 AromaticContact CD1-CZ 3.5Å; F1200-Y1329 VanDerWaalsContact CD1-CZ 3.5Å; F1200-Y1329 HydrophobicContact CD2-CE1 4.39Å; F1200-Y1329 HydrophobicContact CD2-CE2 4.3Å; F1200-Y1329 AromaticContact CD2-CZ 3.74Å; F1200-Y1329 VanDerWaalsContact CD2-OH 3.28Å; F1200-Y1329 WeakPolarHBondContact CD2-OH 3.27Å; F1200-Y1329 HydrophobicContact CE1-CD1 4.13Å; F1200-Y1329 AromaticContact CE1-CE1 3.81Å; F1200-Y1329 HydrophobicContact CE1-CE1 3.81Å; F1200-Y1329 HydrophobicContact CE1-CE2 4.21Å; F1200-Y1329 HydrophobicContact CE1-CG 4.48Å; F1200-Y1329 AromaticContact CE1-CZ 3.87Å; F1200-Y1329 HydrophobicContact CE2-CE2 4.24Å; F1200-Y1329 AromaticContact CG-CE1 3.63Å; F1200-Y1329 HydrophobicContact CG-CE1 3.63Å; F1200-Y1329 HydrophobicContact CG-CE2 4.33Å; F1200-Y1329 AromaticContact CG-CZ 3.42Å; F1200-Y1329 VanDerWaalsContact CG-CZ 3.42Å; F1200-Y1329 WeakPolarHBondContact CG-OH 3.22Å; F1200-Y1329 HydrophobicContact CZ-CE2 4.19Å; Y1202-Y1329 PolarHBondContact O-OH 3.33Å; I1298-Y1329 PolarHBondContact O-N 3.35Å; I1299-Y1329 CarbonylContact C-O 3.54Å; I1299-Y1329 WeakPolarHBondContact CA-O 3.28Å; L1300-Y1329 PolarHBondContact N-O 3.48Å; Y1329-L1375 HydrophobicContact CD1-CD1 4.38Å |
| 1330 | I | 97 | Very high | 87.4 | Confident | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 119.2 | -168.7 | -52.3 | 155.4 | 0 | 0 | 0 | 109 | Q1205 L1206 I1207 L1300 L1302 M1321 L1328 L1368 | Q1205-I1330 PolarHBondContact O-N 2.73Å; L1206-I1330 HydrophobicContact CD1-CB 3.87Å; L1206-I1330 HydrophobicContact CD1-CG2 3.64Å; I1207-I1330 PolarHBondContact N-O 3.06Å; L1300-I1330 HydrophobicContact CB-CG1 4.36Å; L1300-I1330 HydrophobicContact CB-CG2 4.49Å; L1300-I1330 HydrophobicContact CD2-CG1 4.24Å; L1300-I1330 HydrophobicContact CD2-CG2 4.12Å; L1300-I1330 HydrophobicContact CG-CG2 4.34Å; L1300-I1330 CarbonylContact O-C 3.11Å; L1300-I1330 WeakPolarHBondContact O-CA 3.45Å; L1302-I1330 HydrophobicContact CD1-CG2 3.99Å; L1302-I1330 HydrophobicContact CD2-CG2 4.41Å; L1302-I1330 HydrophobicContact CG-CG2 3.94Å; M1321-I1330 HydrophobicContact CE-CD1 3.78Å; M1321-I1330 HydrophobicContact SD-CD1 3.74Å; L1328-I1330 HydrophobicContact CD1-CG1 4.06Å; L1328-I1330 HydrophobicContact CD2-CD1 3.95Å; L1328-I1330 HydrophobicContact CD2-CG1 4.23Å; L1328-I1330 HydrophobicContact CG-CD1 4Å; L1328-I1330 HydrophobicContact CG-CG1 3.79Å; I1330-L1368 HydrophobicContact CD1-CD2 3.5Å |
| 1331 | L | 97.6 | Very high | 85.6 | Confident | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 125.9 | 175.9 | -55.9 | 168.4 | 0 | 0 | 0 | 108.7 | I1207 V1209 E1230 Y1233 A1234 I1237 I1299 L1300 L1302 | I1207-L1331 HydrophobicContact CB-CD2 4.02Å; I1207-L1331 HydrophobicContact CD1-CD2 3.92Å; I1207-L1331 HydrophobicContact CG2-CD2 4.02Å; V1209-L1331 HydrophobicContact CG2-CB 4.04Å; V1209-L1331 HydrophobicContact CG2-CD2 3.98Å; E1230-L1331 HydrophobicContact CB-CB 4.29Å; E1230-L1331 HydrophobicContact CG-CB 4.05Å; E1230-L1331 VanDerWaalsContact O-CD1 3.24Å; E1230-L1331 WeakPolarHBondContact O-CD1 3.3Å; Y1233-L1331 HydrophobicContact CD1-CD2 4.07Å; Y1233-L1331 HydrophobicContact CD2-CD2 4.15Å; Y1233-L1331 HydrophobicContact CG-CD2 3.85Å; A1234-L1331 HydrophobicContact CB-CD1 3.59Å; I1237-L1331 HydrophobicContact CD1-CD2 4.03Å; I1299-L1331 HydrophobicContact CG2-CD1 4.37Å; L1300-L1331 PolarHBondContact O-N 2.81Å; L1302-L1331 PolarHBondContact N-O 2.81Å |
| 1332 | A | 93.3 | Very high | 83.9 | Confident | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.6 | 164.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L1206 I1207 D1208 V1209 L1302 V1334 F1337 | L1206-A1332 HydrophobicContact CD1-CB 3.83Å; I1207-A1332 PolarHBondContact O-N 2.87Å; I1207-A1332 VanDerWaalsContact O-N 3.11Å; D1208-A1332 WeakPolarHBondContact CA-O 3.24Å; V1209-A1332 PolarHBondContact N-O 3.47Å; L1302-A1332 HydrophobicContact CB-CB 4.07Å; L1302-A1332 HydrophobicContact CD1-CB 3.75Å; L1302-A1332 HydrophobicContact CG-CB 4.07Å; A1332-V1334 PolarHBondContact O-N 3.02Å; A1332-F1337 HydrophobicContact CB-CD2 3.92Å; A1332-F1337 HydrophobicContact CB-CE2 3.82Å |
| 1333 | R | 89.6 | Confident | 82.3 | Confident | 32 Ų | 32 | 21.8 Ų | 21.8 | 12% | 0.121 | 10% | 0.102 | C | C | . | . | trans | -81.6 | 95.3 | 159.3 | -173.9 | 58.8 | 53.8 | 103.3 | 12.7 | 109.9 | V1209 G1210 D1211 S1335 L1336 F1337 | V1209-R1333 VanDerWaalsContact O-CZ 3.31Å; V1209-R1333 PolarHBondContact O-NE 2.79Å; V1209-R1333 PolarHBondContact O-NH2 3.03Å; G1210-R1333 PolarHBondContact O-NH2 2.6Å; D1211-R1333 VanDerWaalsContact CG-NH1 3.34Å; D1211-R1333 VanDerWaalsContact N-NH2 3.17Å; D1211-R1333 IonicContact OD1-CZ 3.36Å; D1211-R1333 VanDerWaalsContact OD1-CZ 3.26Å; D1211-R1333 IonicContact OD1-NH1 4Å; D1211-R1333 PolarHBondContact OD1-NH1 2.76Å; D1211-R1333 IonicContact OD1-NH2 2.63Å; D1211-R1333 PolarHBondContact OD1-NH2 3.3Å; D1211-R1333 IonicContact OD2-NH1 3.83Å; D1211-R1333 PolarHBondContact OD2-NH1 2.99Å; R1333-S1335 VanDerWaalsContact C-N 3.3Å; R1333-S1335 PolarHBondContact O-N 3.34Å; R1333-L1336 HydrophobicContact CB-CB 4.19Å; R1333-L1336 HydrophobicContact CG-CB 4.11Å; R1333-L1336 VanDerWaalsContact O-CB 3.25Å; R1333-L1336 WeakPolarHBondContact O-CB 3.14Å; R1333-L1336 PolarHBondContact O-N 3.33Å; R1333-F1337 VanDerWaalsContact O-CD2 3.31Å; R1333-F1337 WeakPolarHBondContact O-CD2 3.39Å | ||
| 1334 | V | 86.7 | Confident | 80.2 | Confident | 7 Ų | 7 | 22.9 Ų | 22.9 | 4% | 0.042 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -60.2 | -39.4 | -170.8 | 174.8 | 0 | 0 | 0 | 0 | 112.4 | L1206 D1208 A1332 L1336 F1337 R1338 Q1373 | L1206-V1334 HydrophobicContact CD1-CG2 4.46Å; L1206-V1334 HydrophobicContact CD2-CG1 4.36Å; L1206-V1334 HydrophobicContact CD2-CG2 3.88Å; L1206-V1334 HydrophobicContact CG-CG2 3.8Å; D1208-V1334 HydrophobicContact CB-CB 4.07Å; D1208-V1334 HydrophobicContact CB-CG2 3.59Å; D1208-V1334 PolarHBondContact OD1-N 2.84Å; A1332-V1334 PolarHBondContact O-N 3.02Å; V1334-L1336 PolarHBondContact O-N 2.82Å; V1334-L1336 VanDerWaalsContact O-N 3.16Å; V1334-F1337 PolarHBondContact O-N 3.07Å; V1334-F1337 VanDerWaalsContact O-N 3.16Å; V1334-R1338 VanDerWaalsContact O-CB 3.32Å; V1334-R1338 WeakPolarHBondContact O-CB 3.2Å; V1334-R1338 PolarHBondContact O-N 2.84Å; V1334-Q1373 HydrophobicContact CG1-CG 4.2Å; V1334-Q1373 HydrophobicContact CG2-CG 4.2Å |
| 1335 | S | 77.8 | Confident | 77.8 | Confident | 50 Ų | 50 | 26.8 Ų | 26.8 | 35% | 0.35 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -57.4 | -28.7 | 177.3 | 58.7 | 0 | 0 | 0 | 0 | 113.4 | R1333 N1339 | R1333-S1335 VanDerWaalsContact C-N 3.3Å; R1333-S1335 PolarHBondContact O-N 3.34Å; S1335-N1339 PolarHBondContact O-ND2 3.46Å |
| 1336 | L | 75 | Confident | 75.6 | Confident | 14 Ų | 14 | 27.6 Ų | 27.6 | 7% | 0.073 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -73.7 | -47.2 | 176.5 | -177.4 | 66 | 0 | 0 | 0 | 111.8 | V12 R1304 V1308 R1333 V1334 | V12-L1336 HydrophobicContact CG2-CD1 4.28Å; R1304-L1336 HydrophobicContact CB-CD2 4.08Å; R1304-L1336 VanDerWaalsContact O-CD2 3.31Å; R1304-L1336 WeakPolarHBondContact O-CD2 3.32Å; V1308-L1336 HydrophobicContact CG2-CD1 4.37Å; V1308-L1336 HydrophobicContact CG2-CG 4.13Å; R1333-L1336 HydrophobicContact CB-CB 4.19Å; R1333-L1336 HydrophobicContact CG-CB 4.11Å; R1333-L1336 VanDerWaalsContact O-CB 3.25Å; R1333-L1336 WeakPolarHBondContact O-CB 3.14Å; R1333-L1336 PolarHBondContact O-N 3.33Å; V1334-L1336 PolarHBondContact O-N 2.82Å; V1334-L1336 VanDerWaalsContact O-N 3.16Å |
| 1337 | F | 73.6 | Confident | 73.2 | Confident | 6 Ų | 6 | 27.9 Ų | 27.9 | 3% | 0.026 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -76.7 | -33.4 | -176.5 | -68 | -82.9 | 0 | 0 | 0 | 113.1 | L1302 V1308 I1311 A1332 R1333 V1334 N1339 C1340 L1343 | L1302-F1337 HydrophobicContact CB-CE2 4Å; L1302-F1337 HydrophobicContact CB-CZ 3.74Å; L1302-F1337 HydrophobicContact CD1-CD1 4.29Å; L1302-F1337 HydrophobicContact CD1-CD2 4.2Å; L1302-F1337 HydrophobicContact CD1-CE1 3.79Å; L1302-F1337 HydrophobicContact CD1-CE2 3.72Å; L1302-F1337 HydrophobicContact CD1-CG 4.49Å; L1302-F1337 HydrophobicContact CD1-CZ 3.5Å; L1302-F1337 VanDerWaalsContact CD1-CZ 3.5Å; L1302-F1337 HydrophobicContact CG-CZ 4.25Å; V1308-F1337 HydrophobicContact CG1-CD1 4.05Å; V1308-F1337 HydrophobicContact CG1-CE1 3.77Å; I1311-F1337 HydrophobicContact CB-CE1 4.1Å; I1311-F1337 HydrophobicContact CG2-CD1 4.23Å; I1311-F1337 HydrophobicContact CG2-CE1 3.68Å; A1332-F1337 HydrophobicContact CB-CD2 3.92Å; A1332-F1337 HydrophobicContact CB-CE2 3.82Å; R1333-F1337 VanDerWaalsContact O-CD2 3.31Å; R1333-F1337 WeakPolarHBondContact O-CD2 3.39Å; V1334-F1337 PolarHBondContact O-N 3.07Å; V1334-F1337 VanDerWaalsContact O-N 3.16Å; F1337-N1339 PolarHBondContact O-N 2.84Å; F1337-C1340 WeakPolarHBondContact O-CB 3.44Å; F1337-C1340 PolarHBondContact O-N 3.34Å; F1337-L1343 HydrophobicContact CD1-CD1 4.43Å |
| 1338 | R | 69 | Low | 70.8 | Confident | 150 Ų | 150 | 28.1 Ų | 28.1 | 57% | 0.566 | 15% | 0.146 | S | C | * | . | H | α-helix | trans | -58.2 | -29.3 | 178.2 | -175.6 | 174.7 | -178.8 | 167.4 | 0.2 | 113 | V1334 | V1334-R1338 VanDerWaalsContact O-CB 3.32Å; V1334-R1338 WeakPolarHBondContact O-CB 3.2Å; V1334-R1338 PolarHBondContact O-N 2.84Å |
| 1339 | N | 59.1 | Low | 68.2 | Low | 60 Ų | 60 | 28.5 Ų | 28.5 | 32% | 0.321 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | 2.2 | -175.2 | -66.8 | -30.3 | 0 | 0 | 0 | 114 | F66 S1335 F1337 F1341 | F66-N1339 HydrophobicContact CE2-CB 3.97Å; F66-N1339 WeakPolarHBondContact CE2-O 3.22Å; F66-N1339 HydrophobicContact CZ-CB 3.88Å; S1335-N1339 PolarHBondContact O-ND2 3.46Å; F1337-N1339 PolarHBondContact O-N 2.84Å; N1339-F1341 PolarHBondContact O-N 3.42Å |
| 1340 | C | 61.6 | Low | 65.2 | Low | 7 Ų | 7 | 31.7 Ų | 31.7 | 5% | 0.047 | 16% | 0.162 | C | C | . | . | trans | -79.4 | 115.3 | -176.6 | -169.4 | 0 | 0 | 0 | 0 | 111.7 | V1308 F1337 E1342 L1343 T1344 | V1308-C1340 HydrophobicContact CG2-CB 4.07Å; F1337-C1340 WeakPolarHBondContact O-CB 3.44Å; F1337-C1340 PolarHBondContact O-N 3.34Å; C1340-E1342 VanDerWaalsContact C-N 3.33Å; C1340-E1342 PolarHBondContact O-N 3.22Å; C1340-E1342 PolarHBondContact SG-OE2 3.13Å; C1340-L1343 HydrophobicContact CB-CB 4.45Å; C1340-L1343 HydrophobicContact CB-CD1 3.8Å; C1340-L1343 HydrophobicContact CB-CG 3.83Å; C1340-L1343 PolarHBondContact O-N 2.92Å; C1340-T1344 PolarHBondContact O-OG1 2.82Å; C1340-T1344 VanDerWaalsContact O-OG1 3.12Å | ||
| 1341 | F | 55.8 | Low | 62.3 | Low | 30 Ų | 30 | 38 Ų | 38 | 13% | 0.132 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -61.2 | -38.4 | -178.1 | 175.8 | -120.2 | 0 | 0 | 0 | 112.9 | Q68 N1339 L1343 T1344 P1345 | Q68-F1341 HydrophobicContact CG-CD2 3.65Å; Q68-F1341 HydrophobicContact CG-CE2 3.69Å; Q68-F1341 HydrophobicContact CG-CG 4.03Å; Q68-F1341 HydrophobicContact CG-CZ 4.16Å; N1339-F1341 PolarHBondContact O-N 3.42Å; F1341-L1343 PolarHBondContact O-N 2.84Å; F1341-L1343 VanDerWaalsContact O-N 3.09Å; F1341-T1344 VanDerWaalsContact CA-OG1 3.32Å; F1341-T1344 WeakPolarHBondContact CA-OG1 3.49Å; F1341-T1344 HydrophobicContact CD2-CG2 4.47Å; F1341-T1344 WeakPolarHBondContact O-CA 3.2Å; F1341-T1344 WeakPolarHBondContact O-CB 3.5Å; F1341-T1344 PolarHBondContact O-N 2.84Å; F1341-T1344 PolarHBondContact O-OG1 2.86Å; F1341-T1344 VanDerWaalsContact O-OG1 3.05Å; F1341-P1345 HydrophobicContact CE2-CG 4.25Å; F1341-P1345 HydrophobicContact CZ-CG 4.19Å; F1341-P1345 WeakPolarHBondContact O-CD 3.34Å |
| 1342 | E | 56.4 | Low | 59.4 | Low | 37 Ų | 37 | 45.6 Ų | 45.6 | 17% | 0.173 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -61.2 | -24.8 | -177.7 | -62.1 | 79.9 | 177.4 | 0 | 0 | 112.2 | R1312 C1340 T1344 | R1312-E1342 HydrophobicContact CG-CG 4.2Å; R1312-E1342 IonicContact CZ-OE1 3Å; R1312-E1342 VanDerWaalsContact NE-CD 3.35Å; R1312-E1342 IonicContact NE-OE1 3.31Å; R1312-E1342 PolarHBondContact NE-OE1 3.19Å; R1312-E1342 IonicContact NE-OE2 2.77Å; R1312-E1342 IonicContact NH2-OE1 2.81Å; R1312-E1342 PolarHBondContact NH2-OE1 2.75Å; C1340-E1342 VanDerWaalsContact C-N 3.33Å; C1340-E1342 PolarHBondContact O-N 3.22Å; C1340-E1342 PolarHBondContact SG-OE2 3.13Å; E1342-T1344 VanDerWaalsContact C-N 3.3Å |
| 1343 | L | 60.9 | Low | 56.8 | Low | 2 Ų | 2 | 46.5 Ų | 46.5 | 1% | 0.01 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -82.2 | -9 | 174.3 | -50.5 | -175.2 | 0 | 0 | 0 | 112.3 | L1314 L1317 F1337 C1340 F1341 I1348 V1349 F1366 | L1314-L1343 HydrophobicContact CD2-CD2 3.53Å; L1317-L1343 HydrophobicContact CD2-CD2 3.55Å; F1337-L1343 HydrophobicContact CD1-CD1 4.43Å; C1340-L1343 HydrophobicContact CB-CB 4.45Å; C1340-L1343 HydrophobicContact CB-CD1 3.8Å; C1340-L1343 HydrophobicContact CB-CG 3.83Å; C1340-L1343 PolarHBondContact O-N 2.92Å; F1341-L1343 PolarHBondContact O-N 2.84Å; F1341-L1343 VanDerWaalsContact O-N 3.09Å; L1343-I1348 HydrophobicContact CB-CB 4.45Å; L1343-I1348 HydrophobicContact CD2-CD1 4.21Å; L1343-I1348 WeakPolarHBondContact O-CB 3.3Å; L1343-V1349 VanDerWaalsContact C-CG2 3.47Å; L1343-V1349 HydrophobicContact CB-CG2 3.68Å; L1343-V1349 WeakPolarHBondContact O-CG2 3.45Å; L1343-V1349 PolarHBondContact O-N 3.36Å; L1343-F1366 HydrophobicContact CD1-CE2 4.29Å |
| 1344 | T | 51.5 | Low | 54.4 | Low | 25 Ų | 25 | 50.4 Ų | 50.4 | 15% | 0.153 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -49.2 | -166.7 | -50.3 | 0 | 0 | 0 | 0 | 115.4 | C1340 F1341 E1342 H1346 V1349 F1350 | C1340-T1344 PolarHBondContact O-OG1 2.82Å; C1340-T1344 VanDerWaalsContact O-OG1 3.12Å; F1341-T1344 VanDerWaalsContact CA-OG1 3.32Å; F1341-T1344 WeakPolarHBondContact CA-OG1 3.49Å; F1341-T1344 HydrophobicContact CD2-CG2 4.47Å; F1341-T1344 WeakPolarHBondContact O-CA 3.2Å; F1341-T1344 WeakPolarHBondContact O-CB 3.5Å; F1341-T1344 PolarHBondContact O-N 2.84Å; F1341-T1344 PolarHBondContact O-OG1 2.86Å; F1341-T1344 VanDerWaalsContact O-OG1 3.05Å; E1342-T1344 VanDerWaalsContact C-N 3.3Å; T1344-H1346 PolarHBondContact O-N 2.9Å; T1344-H1346 VanDerWaalsContact O-N 3.08Å; T1344-V1349 HydrophobicContact CG2-CB 4.35Å; T1344-F1350 HydrophobicContact CG2-CD2 3.61Å; T1344-F1350 HydrophobicContact CG2-CE2 3.9Å |
| 1345 | P | 46.4 | Very low | 52.2 | Low | 83 Ų | 83 | 52.9 Ų | 52.9 | 54% | 0.539 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -9.5 | -176.6 | -21.1 | 31.9 | 0 | 0 | 0 | 115.2 | F1341 | F1341-P1345 HydrophobicContact CE2-CG 4.25Å; F1341-P1345 HydrophobicContact CZ-CG 4.19Å; F1341-P1345 WeakPolarHBondContact O-CD 3.34Å |
| 1346 | H | 49 | Very low | 50.4 | Low | 63 Ų | 63 | 55.8 Ų | 55.8 | 29% | 0.292 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.1 | 14.8 | -157.8 | -74.6 | -43 | 0 | 0 | 0 | 114.9 | W1176 L1314 T1344 I1348 | W1176-H1346 VanDerWaalsContact CB-O 3.3Å; W1176-H1346 WeakPolarHBondContact CB-O 3.37Å; W1176-H1346 HydrophobicContact CD2-CB 4.23Å; W1176-H1346 VanDerWaalsContact CD2-O 3.25Å; W1176-H1346 HydrophobicContact CE3-CB 3.48Å; W1176-H1346 VanDerWaalsContact CE3-CB 3.48Å; W1176-H1346 AromaticContact CE3-CG 3.99Å; W1176-H1346 HydrophobicContact CH2-CB 4.22Å; W1176-H1346 HydrophobicContact CZ3-CB 3.43Å; W1176-H1346 VanDerWaalsContact CZ3-CB 3.43Å; W1176-H1346 AromaticContact CZ3-CG 3.63Å; L1314-H1346 VanDerWaalsContact CD1-CD2 3.43Å; L1314-H1346 WeakPolarHBondContact CD1-CD2 3.45Å; T1344-H1346 PolarHBondContact O-N 2.9Å; T1344-H1346 VanDerWaalsContact O-N 3.08Å; H1346-I1348 HydrophobicContact CB-CG1 4.39Å; H1346-I1348 PolarHBondContact O-N 3.35Å |
| 1347 | G | 44.1 | Very low | 48.9 | Very low | 18 Ų | 18 | 59.8 Ų | 59.8 | 19% | 0.186 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.4 | -7.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | F1350 | G1347-F1350 WeakPolarHBondContact CA-O 3.29Š|
| 1348 | I | 47.5 | Very low | 47.4 | Very low | 6 Ų | 6 | 61.6 Ų | 61.6 | 3% | 0.031 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -71.7 | -45.7 | 175.3 | -38.9 | -179.6 | 0 | 0 | 0 | 110 | W1176 L1314 L1317 L1343 H1346 F1366 Q1367 | W1176-I1348 HydrophobicContact CD2-CG1 4.15Å; W1176-I1348 HydrophobicContact CH2-CD1 3.64Å; W1176-I1348 HydrophobicContact CH2-CG1 4.24Å; W1176-I1348 HydrophobicContact CZ2-CD1 3.15Å; W1176-I1348 HydrophobicContact CZ2-CG1 3.63Å; W1176-I1348 HydrophobicContact CZ3-CD1 4.49Å; L1314-I1348 HydrophobicContact CD2-CD1 4.36Å; L1317-I1348 HydrophobicContact CD2-CD1 3.47Å; L1317-I1348 VanDerWaalsContact CD2-CD1 3.47Å; L1343-I1348 HydrophobicContact CB-CB 4.45Å; L1343-I1348 HydrophobicContact CD2-CD1 4.21Å; L1343-I1348 WeakPolarHBondContact O-CB 3.3Å; H1346-I1348 HydrophobicContact CB-CG1 4.39Å; H1346-I1348 PolarHBondContact O-N 3.35Å; I1348-F1366 HydrophobicContact CB-CD2 4.4Å; I1348-F1366 HydrophobicContact CB-CE2 4.24Å; I1348-F1366 HydrophobicContact CG2-CD2 3.86Å; I1348-F1366 HydrophobicContact CG2-CE2 3.38Å; I1348-F1366 HydrophobicContact CG2-CZ 4Å; I1348-F1366 CarbonylContact O-C 3.59Å; I1348-F1366 VanDerWaalsContact O-C 3.32Å; I1348-F1366 WeakPolarHBondContact O-CA 3.45Å; I1348-F1366 VanDerWaalsContact O-CB 3.3Å; I1348-F1366 WeakPolarHBondContact O-CB 3.41Å; I1348-F1366 WeakPolarHBondContact O-CD2 3.31Å; I1348-F1366 WeakPolarHBondContact O-CG 3.24Å; I1348-Q1367 PolarHBondContact O-N 3.16Å |
| 1349 | V | 43.3 | Very low | 45.6 | Very low | 8 Ų | 8 | 57.1 Ų | 57.1 | 5% | 0.048 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -95.1 | -36.6 | 177 | -170.8 | 0 | 0 | 0 | 0 | 114.2 | L1343 T1344 S1365 F1366 | L1343-V1349 VanDerWaalsContact C-CG2 3.47Å; L1343-V1349 HydrophobicContact CB-CG2 3.68Å; L1343-V1349 WeakPolarHBondContact O-CG2 3.45Å; L1343-V1349 PolarHBondContact O-N 3.36Å; T1344-V1349 HydrophobicContact CG2-CB 4.35Å; V1349-S1365 CarbonylContact O-C 3.39Å; V1349-S1365 WeakPolarHBondContact O-CA 3.36Å; V1349-F1366 HydrophobicContact CB-CD2 3.99Å; V1349-F1366 HydrophobicContact CG1-CB 4.48Å; V1349-F1366 HydrophobicContact CG1-CD2 4.5Å; V1349-F1366 HydrophobicContact CG2-CD2 3.56Å; V1349-F1366 HydrophobicContact CG2-CE2 4.05Å; V1349-F1366 VanDerWaalsContact O-CA 3.27Å; V1349-F1366 WeakPolarHBondContact O-CA 3.49Å; V1349-F1366 PolarHBondContact O-N 2.88Å |
| 1350 | F | 34.8 | Very low | 44.4 | Very low | 67 Ų | 67 | 61.5 Ų | 61.5 | 29% | 0.294 | 34% | 0.343 | S | S | . | . | trans | -132.1 | 108.8 | 175.4 | -64.6 | -75.4 | 0 | 0 | 0 | 112.7 | T1344 G1347 R1352 N1363 R1364 | T1344-F1350 HydrophobicContact CG2-CD2 3.61Å; T1344-F1350 HydrophobicContact CG2-CE2 3.9Å; G1347-F1350 WeakPolarHBondContact CA-O 3.29Å; F1350-R1352 PolarHBondContact O-N 2.9Å; F1350-N1363 HydrophobicContact CB-CB 4.31Å; F1350-N1363 HydrophobicContact CD1-CB 3.6Å; F1350-N1363 HydrophobicContact CE1-CB 4.13Å; F1350-N1363 HydrophobicContact CG-CB 4.06Å; F1350-R1364 CarbonylContact C-O 3.5Å; F1350-R1364 VanDerWaalsContact C-O 3.32Å; F1350-R1364 WeakPolarHBondContact CA-O 3.31Å | ||
| 1351 | Y | 34.8 | Very low | 43.3 | Very low | 133 Ų | 133 | 68.4 Ų | 68.4 | 52% | 0.522 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 114.9 | 161.6 | -173.7 | -92.4 | 0 | 0 | 0 | 107.4 | S1353 N1362 R1364 | Y1351-S1353 PolarHBondContact O-N 2.76Å; Y1351-N1362 VanDerWaalsContact O-O 3.05Å; Y1351-R1364 PolarHBondContact N-O 2.95Å; Y1351-R1364 PolarHBondContact O-N 2.82Å |
| 1352 | R | 36.2 | Very low | 42.3 | Very low | 159 Ų | 159 | 70.4 Ų | 70.4 | 60% | 0.6 | 38% | 0.381 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 97.9 | 166.7 | -87.9 | -169.2 | -178.2 | 177.6 | 3.7 | 108 | F1350 W1361 N1362 | F1350-R1352 PolarHBondContact O-N 2.9Å; R1352-W1361 HydrophobicContact CB-CE3 3.67Å; R1352-W1361 HydrophobicContact CB-CZ3 4.08Å; R1352-W1361 HydrophobicContact CG-CB 4.45Å; R1352-W1361 HydrophobicContact CG-CE3 4.29Å; R1352-N1362 WeakPolarHBondContact CA-O 3.39Å |
| 1353 | S | 40.3 | Very low | 41.5 | Very low | 20 Ų | 20 | 73.1 Ų | 73.1 | 14% | 0.14 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 123.6 | 164.1 | 63.7 | 0 | 0 | 0 | 0 | 108.4 | Y1351 D1355 N1362 | Y1351-S1353 PolarHBondContact O-N 2.76Å; S1353-D1355 PolarHBondContact O-N 3.4Å; S1353-N1362 PolarHBondContact N-O 3.38Å; S1353-N1362 PolarHBondContact O-N 2.73Å |
| 1354 | F | 38.6 | Very low | 40.4 | Very low | 114 Ų | 114 | 80.6 Ų | 80.6 | 50% | 0.5 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 119.9 | 165.2 | -175.7 | -103.1 | 0 | 0 | 0 | 108 | P1356 W1361 | F1354-P1356 HydrophobicContact CD1-CG 4.37Å; F1354-P1356 HydrophobicContact CE1-CB 4.41Å; F1354-P1356 VanDerWaalsContact O-CD 3.31Å; F1354-P1356 WeakPolarHBondContact O-CD 3.38Å; F1354-W1361 HydrophobicContact CB-CE3 4.24Å; F1354-W1361 HydrophobicContact CB-CZ3 4.18Å; F1354-W1361 HydrophobicContact CD2-CD2 4.45Å |
| 1355 | D | 39.6 | Very low | 39.9 | Very low | 58 Ų | 58 | 82.7 Ų | 82.7 | 31% | 0.31 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 108.7 | 169.1 | -178.8 | 0.5 | 0 | 0 | 0 | 108.6 | S1353 A1357 G1358 G1359 K1360 | S1353-D1355 PolarHBondContact O-N 3.4Å; D1355-A1357 PolarHBondContact O-N 3.08Å; D1355-A1357 WeakPolarHBondContact OD1-CB 3.47Å; D1355-A1357 PolarHBondContact OD1-N 3.07Å; D1355-G1358 PolarHBondContact O-N 3.04Å; D1355-G1359 PolarHBondContact O-N 3.4Å; D1355-G1359 VanDerWaalsContact O-N 3.09Å; D1355-K1360 PolarHBondContact N-O 3.27Å |
| 1356 | P | 39.8 | Very low | 40.3 | Very low | 111 Ų | 111 | 79.2 Ų | 79.2 | 72% | 0.721 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -26.6 | 179.4 | -16.7 | 30.5 | 0 | 0 | 0 | 112.5 | F1354 | F1354-P1356 HydrophobicContact CD1-CG 4.37Å; F1354-P1356 HydrophobicContact CE1-CB 4.41Å; F1354-P1356 VanDerWaalsContact O-CD 3.31Å; F1354-P1356 WeakPolarHBondContact O-CD 3.38Å |
| 1357 | A | 45.3 | Very low | 41.1 | Very low | 98 Ų | 98 | 78 Ų | 78 | 81% | 0.81 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | -23.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | D1355 | D1355-A1357 PolarHBondContact O-N 3.08Å; D1355-A1357 WeakPolarHBondContact OD1-CB 3.47Å; D1355-A1357 PolarHBondContact OD1-N 3.07Å |
| 1358 | G | 41 | Very low | 42.5 | Very low | 45 Ų | 45 | 77.6 Ų | 77.6 | 46% | 0.464 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117 | -7.8 | -173.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | D1355 K1360 | D1355-G1358 PolarHBondContact O-N 3.04Å; G1358-K1360 PolarHBondContact O-N 3.43Å |
| 1359 | G | 32.4 | Very low | 43.7 | Very low | 56 Ų | 56 | 78.3 Ų | 78.3 | 58% | 0.577 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.3 | 17.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | D1355 | D1355-G1359 PolarHBondContact O-N 3.4Å; D1355-G1359 VanDerWaalsContact O-N 3.09Å |
| 1360 | K | 32.3 | Very low | 45.3 | Very low | 151 Ų | 151 | 83.2 Ų | 83.2 | 66% | 0.657 | 43% | 0.432 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 145 | -177.1 | -73.6 | -179.5 | -178.4 | 178.3 | 0 | 110.8 | D1355 G1358 | D1355-K1360 PolarHBondContact N-O 3.27Å; G1358-K1360 PolarHBondContact O-N 3.43Å |
| 1361 | W | 39.2 | Very low | 47.8 | Very low | 153 Ų | 153 | 81.7 Ų | 81.7 | 58% | 0.58 | 42% | 0.424 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80 | 114.6 | 170.5 | -66.8 | 95.6 | 0 | 0 | 0 | 109.2 | R1352 F1354 | R1352-W1361 HydrophobicContact CB-CE3 3.67Å; R1352-W1361 HydrophobicContact CB-CZ3 4.08Å; R1352-W1361 HydrophobicContact CG-CB 4.45Å; R1352-W1361 HydrophobicContact CG-CE3 4.29Å; F1354-W1361 HydrophobicContact CB-CE3 4.24Å; F1354-W1361 HydrophobicContact CB-CZ3 4.18Å; F1354-W1361 HydrophobicContact CD2-CD2 4.45Å |
| 1362 | N | 34.9 | Very low | 50.4 | Low | 72 Ų | 72 | 77.5 Ų | 77.5 | 39% | 0.385 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 126.4 | 175.2 | -71.2 | -23.4 | 0 | 0 | 0 | 110 | Y1351 R1352 S1353 R1364 | Y1351-N1362 VanDerWaalsContact O-O 3.05Å; R1352-N1362 WeakPolarHBondContact CA-O 3.39Å; S1353-N1362 PolarHBondContact N-O 3.38Å; S1353-N1362 PolarHBondContact O-N 2.73Å; N1362-R1364 PolarHBondContact O-N 3.3Å |
| 1363 | N | 39.6 | Very low | 53 | Low | 94 Ų | 94 | 73.1 Ų | 73.1 | 50% | 0.503 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 101.1 | 171.2 | -76.5 | -18.5 | 0 | 0 | 0 | 109.3 | F1350 | F1350-N1363 HydrophobicContact CB-CB 4.31Å; F1350-N1363 HydrophobicContact CD1-CB 3.6Å; F1350-N1363 HydrophobicContact CE1-CB 4.13Å; F1350-N1363 HydrophobicContact CG-CB 4.06Å |
| 1364 | R | 38.1 | Very low | 55.6 | Low | 158 Ų | 158 | 74 Ų | 74 | 60% | 0.596 | 40% | 0.403 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 138.6 | 170.4 | -72.5 | -171.7 | 178.7 | -166.6 | -0.9 | 111.2 | F1350 Y1351 N1362 | F1350-R1364 CarbonylContact C-O 3.5Å; F1350-R1364 VanDerWaalsContact C-O 3.32Å; F1350-R1364 WeakPolarHBondContact CA-O 3.31Å; Y1351-R1364 PolarHBondContact N-O 2.95Å; Y1351-R1364 PolarHBondContact O-N 2.82Å; N1362-R1364 PolarHBondContact O-N 3.3Å |
| 1365 | S | 41.8 | Very low | 58.3 | Low | 69 Ų | 69 | 68.6 Ų | 68.6 | 48% | 0.483 | 38% | 0.379 | S | S | . | . | P | Polyproline II helix | trans | -50.3 | 164.9 | -177 | 43.3 | 0 | 0 | 0 | 0 | 118.1 | V1349 Q1367 | V1349-S1365 CarbonylContact O-C 3.39Å; V1349-S1365 WeakPolarHBondContact O-CA 3.36Å; S1365-Q1367 PolarHBondContact O-N 3.19Å |
| 1366 | F | 53.6 | Low | 61 | Low | 11 Ų | 11 | 66.7 Ų | 66.7 | 5% | 0.048 | 37% | 0.369 | C | S | . | . | P | Polyproline II helix | trans | -51.6 | 125.7 | -170.9 | -177.3 | -103.3 | 0 | 0 | 0 | 112.1 | L1206 L1343 I1348 V1349 L1368 C1369 Q1370 | L1206-F1366 HydrophobicContact CD2-CD1 4.47Å; L1206-F1366 HydrophobicContact CD2-CE1 3.68Å; L1343-F1366 HydrophobicContact CD1-CE2 4.29Å; I1348-F1366 HydrophobicContact CB-CD2 4.4Å; I1348-F1366 HydrophobicContact CB-CE2 4.24Å; I1348-F1366 HydrophobicContact CG2-CD2 3.86Å; I1348-F1366 HydrophobicContact CG2-CE2 3.38Å; I1348-F1366 HydrophobicContact CG2-CZ 4Å; I1348-F1366 CarbonylContact O-C 3.59Å; I1348-F1366 VanDerWaalsContact O-C 3.32Å; I1348-F1366 WeakPolarHBondContact O-CA 3.45Å; I1348-F1366 VanDerWaalsContact O-CB 3.3Å; I1348-F1366 WeakPolarHBondContact O-CB 3.41Å; I1348-F1366 WeakPolarHBondContact O-CD2 3.31Å; I1348-F1366 WeakPolarHBondContact O-CG 3.24Å; V1349-F1366 HydrophobicContact CB-CD2 3.99Å; V1349-F1366 HydrophobicContact CG1-CB 4.48Å; V1349-F1366 HydrophobicContact CG1-CD2 4.5Å; V1349-F1366 HydrophobicContact CG2-CD2 3.56Å; V1349-F1366 HydrophobicContact CG2-CE2 4.05Å; V1349-F1366 VanDerWaalsContact O-CA 3.27Å; V1349-F1366 WeakPolarHBondContact O-CA 3.49Å; V1349-F1366 PolarHBondContact O-N 2.88Å; F1366-L1368 HydrophobicContact CD1-CB 3.45Å; F1366-L1368 VanDerWaalsContact CD1-CB 3.45Å; F1366-L1368 HydrophobicContact CE1-CB 3.17Å; F1366-L1368 HydrophobicContact CE1-CD1 3.85Å; F1366-L1368 HydrophobicContact CE1-CG 4.13Å; F1366-L1368 HydrophobicContact CG-CB 4.48Å; F1366-L1368 HydrophobicContact CZ-CB 3.95Å; F1366-L1368 HydrophobicContact CZ-CD1 3.77Å; F1366-L1368 HydrophobicContact CZ-CG 4.48Å; F1366-L1368 PolarHBondContact O-N 3.11Å; F1366-C1369 HydrophobicContact CB-CB 3.95Å; F1366-C1369 HydrophobicContact CD1-CB 3.79Å; F1366-C1369 VanDerWaalsContact CD1-N 3.35Å; F1366-C1369 WeakPolarHBondContact CD1-SG 3.33Å; F1366-C1369 HydrophobicContact CG-CB 4.38Å; F1366-C1369 CarbonylContact O-C 3.4Å; F1366-C1369 WeakPolarHBondContact O-CA 3.41Å; F1366-C1369 PolarHBondContact O-N 3.25Å; F1366-Q1370 PolarHBondContact O-N 3.23Å |
| 1367 | Q | 66.5 | Low | 63.7 | Low | 37 Ų | 37 | 61.4 Ų | 61.4 | 17% | 0.173 | 34% | 0.335 | C | S | . | . | G | 310 helix | trans | -58.2 | -35.5 | -173.9 | -174.7 | 176.6 | -10.5 | 0 | 0 | 112.5 | A1172 L1173 Y1204 I1348 S1365 C1369 Q1370 | A1172-Q1367 PolarHBondContact O-OE1 2.98Å; L1173-Q1367 HydrophobicContact CD2-CG 4.27Å; Y1204-Q1367 PolarHBondContact OH-O 2.72Å; I1348-Q1367 PolarHBondContact O-N 3.16Å; S1365-Q1367 PolarHBondContact O-N 3.19Å; Q1367-C1369 VanDerWaalsContact C-N 3.31Å; Q1367-Q1370 WeakPolarHBondContact O-CB 3.4Å; Q1367-Q1370 PolarHBondContact O-N 3.36Å |
| 1368 | L | 73.5 | Confident | 66 | Low | 9 Ų | 9 | 56.8 Ų | 56.8 | 5% | 0.047 | 30% | 0.296 | C | S | . | . | G | 310 helix | trans | -71.8 | -20.6 | 174 | -79.9 | 169 | 0 | 0 | 0 | 113.3 | L1173 Y1204 L1206 M1321 I1330 F1366 | L1173-L1368 HydrophobicContact CD1-CD2 4.14Å; L1173-L1368 HydrophobicContact CD2-CD2 3.78Å; L1173-L1368 HydrophobicContact CD2-CG 4.02Å; Y1204-L1368 HydrophobicContact CD2-CD2 4.12Å; Y1204-L1368 HydrophobicContact CE2-CD2 4.03Å; L1206-L1368 HydrophobicContact CB-CB 4.35Å; L1206-L1368 WeakPolarHBondContact CB-O 3.28Å; L1206-L1368 HydrophobicContact CD2-CB 4.14Å; M1321-L1368 HydrophobicContact CE-CD1 3.71Å; M1321-L1368 HydrophobicContact SD-CD1 4.4Å; M1321-L1368 HydrophobicContact SD-CD2 4.49Å; I1330-L1368 HydrophobicContact CD1-CD2 3.5Å; F1366-L1368 HydrophobicContact CD1-CB 3.45Å; F1366-L1368 VanDerWaalsContact CD1-CB 3.45Å; F1366-L1368 HydrophobicContact CE1-CB 3.17Å; F1366-L1368 HydrophobicContact CE1-CD1 3.85Å; F1366-L1368 HydrophobicContact CE1-CG 4.13Å; F1366-L1368 HydrophobicContact CG-CB 4.48Å; F1366-L1368 HydrophobicContact CZ-CB 3.95Å; F1366-L1368 HydrophobicContact CZ-CD1 3.77Å; F1366-L1368 HydrophobicContact CZ-CG 4.48Å; F1366-L1368 PolarHBondContact O-N 3.11Å |
| 1369 | C | 73.1 | Confident | 68.3 | Low | 21 Ų | 21 | 55.8 Ų | 55.8 | 14% | 0.142 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -101.2 | 6.2 | 176 | -70.3 | 0 | 0 | 0 | 0 | 112.3 | F1366 Q1367 R1371 | F1366-C1369 HydrophobicContact CB-CB 3.95Å; F1366-C1369 HydrophobicContact CD1-CB 3.79Å; F1366-C1369 VanDerWaalsContact CD1-N 3.35Å; F1366-C1369 WeakPolarHBondContact CD1-SG 3.33Å; F1366-C1369 HydrophobicContact CG-CB 4.38Å; F1366-C1369 CarbonylContact O-C 3.4Å; F1366-C1369 WeakPolarHBondContact O-CA 3.41Å; F1366-C1369 PolarHBondContact O-N 3.25Å; Q1367-C1369 VanDerWaalsContact C-N 3.31Å; C1369-R1371 PolarHBondContact O-N 3.18Å |
| 1370 | Q | 75.7 | Confident | 70.9 | Confident | 112 Ų | 112 | 57.6 Ų | 57.6 | 52% | 0.523 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -64.4 | -20.8 | 171.3 | -72.6 | 177 | 3.6 | 0 | 0 | 111.7 | F1366 Q1367 | F1366-Q1370 PolarHBondContact O-N 3.23Å; Q1367-Q1370 WeakPolarHBondContact O-CB 3.4Å; Q1367-Q1370 PolarHBondContact O-N 3.36Å |
| 1371 | R | 86.7 | Confident | 73.6 | Confident | 34 Ų | 34 | 51.7 Ų | 51.7 | 13% | 0.128 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -102 | 154.1 | 179.2 | -61.8 | 174.8 | -175.1 | -159.8 | -8 | 110.4 | Y1202 E1203 Y1204 C1369 Q1373 | Y1202-R1371 HydrophobicContact CD1-CG 4.12Å; Y1202-R1371 HydrophobicContact CE1-CG 4.22Å; Y1202-R1371 HydrophobicContact CG-CG 4.45Å; E1203-R1371 VanDerWaalsContact CD-NH1 3.26Å; E1203-R1371 IonicContact OE1-CZ 2.85Å; E1203-R1371 IonicContact OE1-NH1 2.78Å; E1203-R1371 IonicContact OE1-NH2 3.31Å; E1203-R1371 PolarHBondContact OE1-NH2 3.49Å; E1203-R1371 IonicContact OE2-CZ 2.74Å; E1203-R1371 VanDerWaalsContact OE2-CZ 3.3Å; E1203-R1371 IonicContact OE2-NH1 3.86Å; E1203-R1371 PolarHBondContact OE2-NH1 2.98Å; E1203-R1371 IonicContact OE2-NH2 3.31Å; E1203-R1371 PolarHBondContact OE2-NH2 3.16Å; Y1204-R1371 VanDerWaalsContact CD1-CZ 3.49Å; Y1204-R1371 VanDerWaalsContact CE1-NH2 3.34Å; Y1204-R1371 WeakPolarHBondContact O-CD 3.32Å; Y1204-R1371 PolarHBondContact O-NH1 2.96Å; C1369-R1371 PolarHBondContact O-N 3.18Å; R1371-Q1373 PolarHBondContact O-NE2 3.42Å |
| 1372 | P | 89.9 | Confident | 75.9 | Confident | 46 Ų | 46 | 47.4 Ų | 47.4 | 30% | 0.299 | 25% | 0.247 | S | C | . | . | trans | -50.8 | 142.3 | 172.3 | -26.4 | 35.6 | 0 | 0 | 0 | 111.4 | Y1202 Q1205 N1374 I1376 | Y1202-P1372 HydrophobicContact CE2-CG 4.26Å; Q1205-P1372 WeakPolarHBondContact CG-O 3.36Å; Q1205-P1372 PolarHBondContact NE2-O 3.13Å; P1372-N1374 VanDerWaalsContact C-N 3.33Å; P1372-I1376 HydrophobicContact CB-CD1 4.02Å; P1372-I1376 HydrophobicContact CG-CD1 3.87Å | ||
| 1373 | Q | 91.5 | Very high | 78.3 | Confident | 66 Ų | 66 | 46.5 Ų | 46.5 | 31% | 0.308 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -84.8 | -8.1 | -179.8 | -67.4 | 90.1 | 65.8 | 0 | 0 | 113.6 | L1206 I1207 D1208 V1334 R1371 | L1206-Q1373 WeakPolarHBondContact O-CA 3.46Å; I1207-Q1373 CarbonylContact C-O 3.49Å; I1207-Q1373 VanDerWaalsContact CA-O 3.27Å; I1207-Q1373 WeakPolarHBondContact CA-O 3.4Å; D1208-Q1373 HydrophobicContact CB-CB 4.04Å; D1208-Q1373 PolarHBondContact N-O 3.19Å; V1334-Q1373 HydrophobicContact CG1-CG 4.2Å; V1334-Q1373 HydrophobicContact CG2-CG 4.2Å; R1371-Q1373 PolarHBondContact O-NE2 3.42Å |
| 1374 | N | 94.3 | Very high | 80 | Confident | 40 Ų | 40 | 46.4 Ų | 46.4 | 21% | 0.214 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -89.4 | 139.5 | 168.7 | -67.8 | -22.7 | 0 | 0 | 0 | 109.4 | Q1205 P1372 I1376 E1402 I1403 Q1404 | Q1205-N1374 PolarHBondContact NE2-O 2.79Å; P1372-N1374 VanDerWaalsContact C-N 3.33Å; N1374-I1376 PolarHBondContact O-N 2.91Å; N1374-E1402 HydrophobicContact CB-CG 3.61Å; N1374-E1402 VanDerWaalsContact CB-OE1 3.27Å; N1374-E1402 WeakPolarHBondContact CB-OE1 3.3Å; N1374-E1402 PolarHBondContact ND2-OE1 2.64Å; N1374-I1403 WeakPolarHBondContact CB-O 3.42Å; N1374-Q1404 PolarHBondContact ND2-OE1 3.5Å |
| 1375 | L | 96.1 | Very high | 81.7 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 123.8 | -179.8 | 178.1 | 60.6 | 0 | 0 | 0 | 109.9 | F1200 Q1205 I1207 Y1233 I1237 Y1329 L1377 I1403 M1409 | F1200-L1375 HydrophobicContact CD1-CD1 4Å; F1200-L1375 HydrophobicContact CE1-CD1 4.18Å; Q1205-L1375 VanDerWaalsContact OE1-CD1 3.28Å; I1207-L1375 HydrophobicContact CD1-CB 4.33Å; I1207-L1375 HydrophobicContact CD1-CD1 3.93Å; I1207-L1375 HydrophobicContact CD1-CD2 4.45Å; I1207-L1375 HydrophobicContact CD1-CG 4.47Å; I1207-L1375 HydrophobicContact CG1-CB 4.18Å; I1207-L1375 HydrophobicContact CG1-CD1 4.34Å; I1207-L1375 HydrophobicContact CG2-CB 4.35Å; Y1233-L1375 HydrophobicContact CE1-CD2 3.84Å; Y1233-L1375 WeakPolarHBondContact OH-CB 3.5Å; I1237-L1375 HydrophobicContact CD1-CD2 3.99Å; I1237-L1375 HydrophobicContact CG1-CD2 3.93Å; Y1329-L1375 HydrophobicContact CD1-CD1 4.38Å; L1375-L1377 HydrophobicContact CD1-CD2 4.02Å; L1375-L1377 HydrophobicContact CD2-CD2 3.82Å; L1375-L1377 HydrophobicContact CD2-CG 4.46Å; L1375-L1377 HydrophobicContact CG-CD2 3.65Å; L1375-L1377 HydrophobicContact CG-CG 4.2Å; L1375-I1403 HydrophobicContact CB-CB 4.2Å; L1375-I1403 HydrophobicContact CB-CG1 4.47Å; L1375-I1403 PolarHBondContact O-N 2.78Å; L1375-M1409 HydrophobicContact CD2-CE 4.21Å; L1375-M1409 HydrophobicContact CD2-SD 3.99Å |
| 1376 | I | 96.1 | Very high | 82.7 | Confident | 18 Ų | 18 | 47.3 Ų | 47.3 | 9% | 0.092 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 114.8 | 178.9 | -50.8 | -171.2 | 0 | 0 | 0 | 110.2 | L1201 Y1202 P1372 N1374 T1400 V1401 E1402 | L1201-I1376 HydrophobicContact CB-CB 4.09Å; L1201-I1376 HydrophobicContact CB-CG2 3.88Å; L1201-I1376 HydrophobicContact CD2-CB 4.22Å; L1201-I1376 HydrophobicContact CD2-CD1 4.33Å; L1201-I1376 HydrophobicContact CD2-CG2 3.69Å; L1201-I1376 HydrophobicContact CG-CG2 4.44Å; L1201-I1376 PolarHBondContact N-O 3.25Å; Y1202-I1376 HydrophobicContact CE2-CD1 4.14Å; P1372-I1376 HydrophobicContact CB-CD1 4.02Å; P1372-I1376 HydrophobicContact CG-CD1 3.87Å; N1374-I1376 PolarHBondContact O-N 2.91Å; I1376-T1400 HydrophobicContact CG2-CG2 4.33Å; I1376-V1401 WeakPolarHBondContact CA-O 3.11Å; I1376-E1402 HydrophobicContact CG1-CG 4.28Å |
| 1377 | L | 95.7 | Very high | 83.5 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 156.4 | -177.7 | -55.1 | -177.4 | 0 | 0 | 0 | 111.5 | G1199 F1200 Y1240 L1375 T1400 V1401 I1403 M1409 F1412 | G1199-L1377 CarbonylContact O-C 3.51Å; G1199-L1377 WeakPolarHBondContact O-CA 3.44Å; F1200-L1377 HydrophobicContact CD1-CD2 3.67Å; F1200-L1377 HydrophobicContact CE1-CD2 3.73Å; Y1240-L1377 HydrophobicContact CD1-CD1 4.33Å; Y1240-L1377 HydrophobicContact CD1-CD2 4.23Å; Y1240-L1377 HydrophobicContact CE1-CB 4.45Å; Y1240-L1377 HydrophobicContact CE1-CD1 4.02Å; Y1240-L1377 HydrophobicContact CE1-CD2 3.76Å; Y1240-L1377 HydrophobicContact CE1-CG 4.3Å; L1375-L1377 HydrophobicContact CD1-CD2 4.02Å; L1375-L1377 HydrophobicContact CD2-CD2 3.82Å; L1375-L1377 HydrophobicContact CD2-CG 4.46Å; L1375-L1377 HydrophobicContact CG-CD2 3.65Å; L1375-L1377 HydrophobicContact CG-CG 4.2Å; L1377-T1400 CarbonylContact O-C 3.58Å; L1377-T1400 VanDerWaalsContact O-CA 3.27Å; L1377-T1400 WeakPolarHBondContact O-CA 3.45Å; L1377-V1401 PolarHBondContact N-O 2.87Å; L1377-V1401 PolarHBondContact O-N 2.96Å; L1377-I1403 HydrophobicContact CD1-CD1 3.93Å; L1377-I1403 HydrophobicContact CD1-CG1 3.79Å; L1377-I1403 HydrophobicContact CG-CG1 4.09Å; L1377-M1409 HydrophobicContact CD1-CE 4.17Å; L1377-M1409 HydrophobicContact CD1-SD 4.08Å; L1377-F1412 HydrophobicContact CD1-CD1 3.77Å; L1377-F1412 HydrophobicContact CD1-CE1 3.4Å; L1377-F1412 HydrophobicContact CD1-CZ 3.97Å |
| 1378 | V | 93.5 | Very high | 84.2 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 30% | 0.298 | C | S | . | . | trans | -129.1 | 78.8 | 174.6 | -172.1 | 0 | 0 | 0 | 0 | 108 | G1199 L1201 T1380 E1381 V1397 T1400 | G1199-V1378 VanDerWaalsContact CA-O 3.32Å; G1199-V1378 WeakPolarHBondContact CA-O 3.43Å; G1199-V1378 PolarHBondContact O-N 2.87Å; L1201-V1378 HydrophobicContact CB-CG2 4.08Å; L1201-V1378 HydrophobicContact CD1-CG2 4.28Å; V1378-T1380 PolarHBondContact O-N 3.45Å; V1378-E1381 HydrophobicContact CB-CG 4.38Å; V1378-E1381 HydrophobicContact CG1-CB 4.41Å; V1378-E1381 HydrophobicContact CG1-CG 3.77Å; V1378-E1381 PolarHBondContact O-N 2.76Å; V1378-V1397 HydrophobicContact CB-CG1 4.4Å; V1378-V1397 HydrophobicContact CG1-CG1 3.56Å; V1378-V1397 HydrophobicContact CG2-CG1 3.85Å; V1378-T1400 HydrophobicContact CG2-CG2 4.32Å | ||
| 1379 | P | 89.9 | Confident | 84.9 | Confident | 24 Ų | 24 | 55 Ų | 55 | 16% | 0.156 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -12.6 | -166.9 | -21.3 | 34.4 | 0 | 0 | 0 | 115.8 | Y1240 S1399 V1401 F1412 Y1416 | Y1240-P1379 WeakPolarHBondContact OH-CA 3.36Å; P1379-S1399 WeakPolarHBondContact CD-O 3.39Å; P1379-V1401 HydrophobicContact CG-CB 4.38Å; P1379-V1401 HydrophobicContact CG-CG2 3.73Å; P1379-F1412 HydrophobicContact CB-CZ 4.13Å; P1379-F1412 HydrophobicContact CG-CE2 3.98Å; P1379-F1412 HydrophobicContact CG-CZ 3.67Å; P1379-Y1416 HydrophobicContact CB-CD2 4.39Å; P1379-Y1416 HydrophobicContact CB-CE2 3.89Å; P1379-Y1416 PolarHBondContact O-OH 3Å |
| 1380 | T | 87.6 | Confident | 85.4 | Confident | 95 Ų | 95 | 58.9 Ų | 58.9 | 58% | 0.583 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -14.3 | 176.5 | 49.8 | 0 | 0 | 0 | 0 | 113.7 | V1378 | V1378-T1380 PolarHBondContact O-N 3.45Š|
| 1381 | E | 89.3 | Confident | 85.7 | Confident | 27 Ų | 27 | 54.3 Ų | 54.3 | 13% | 0.126 | 30% | 0.296 | C | S | . | . | trans | -95.7 | 107.3 | -179.1 | -72.4 | 176.6 | -179.6 | 0 | 0 | 111.5 | P1198 G1199 L1244 V1378 R1389 | P1198-E1381 CarbonylContact C-O 3.59Å; P1198-E1381 HydrophobicContact CB-CB 4.19Å; P1198-E1381 WeakPolarHBondContact CB-O 3.27Å; G1199-E1381 PolarHBondContact N-O 2.96Å; G1199-E1381 VanDerWaalsContact N-O 3.11Å; L1244-E1381 WeakPolarHBondContact CD2-O 3.06Å; V1378-E1381 HydrophobicContact CB-CG 4.38Å; V1378-E1381 HydrophobicContact CG1-CB 4.41Å; V1378-E1381 HydrophobicContact CG1-CG 3.77Å; V1378-E1381 PolarHBondContact O-N 2.76Å; E1381-R1389 WeakPolarHBondContact OE1-CD 3.32Å; E1381-R1389 IonicContact OE1-CZ 3.99Å; E1381-R1389 IonicContact OE1-NE 2.63Å; E1381-R1389 PolarHBondContact OE1-NE 3.4Å; E1381-R1389 IonicContact OE1-NH2 3.23Å; E1381-R1389 IonicContact OE2-CZ 3.75Å; E1381-R1389 IonicContact OE2-NE 2.71Å; E1381-R1389 PolarHBondContact OE2-NE 3.46Å; E1381-R1389 IonicContact OE2-NH2 3.15Å; E1381-R1389 PolarHBondContact OE2-NH2 3.41Å | ||
| 1382 | V | 87.5 | Confident | 85.4 | Confident | 62 Ų | 62 | 58.7 Ų | 58.7 | 38% | 0.376 | 32% | 0.322 | S | S | . | . | trans | -99.4 | 151 | 176.6 | -63.7 | 0 | 0 | 0 | 0 | 112.2 | L1244 A1384 S1385 | L1244-V1382 HydrophobicContact CD2-CG1 4.2Å; V1382-A1384 VanDerWaalsContact C-N 3.31Å; V1382-A1384 PolarHBondContact O-N 2.63Å; V1382-S1385 VanDerWaalsContact O-CB 3.29Å; V1382-S1385 WeakPolarHBondContact O-CB 3.18Å; V1382-S1385 PolarHBondContact O-N 3.29Å; V1382-S1385 VanDerWaalsContact O-N 3.16Å | ||
| 1383 | F | 85.1 | Confident | 85.1 | Confident | 54 Ų | 54 | 60.9 Ų | 60.9 | 24% | 0.237 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -34 | -174.1 | -171.5 | -92.7 | 0 | 0 | 0 | 113.6 | P1198 L1244 Y1246 P1247 Y1297 S1385 | P1198-F1383 HydrophobicContact CG-CB 4.23Å; P1198-F1383 HydrophobicContact CG-CD2 4Å; P1198-F1383 HydrophobicContact CG-CG 4.5Å; L1244-F1383 WeakPolarHBondContact O-CB 3.35Å; L1244-F1383 PolarHBondContact O-N 3.16Å; Y1246-F1383 AromaticContact CD1-CD2 3.56Å; Y1246-F1383 HydrophobicContact CD1-CD2 3.56Å; Y1246-F1383 AromaticContact CD1-CE2 3.74Å; Y1246-F1383 HydrophobicContact CD1-CE2 3.74Å; Y1246-F1383 HydrophobicContact CD2-CB 3.95Å; Y1246-F1383 AromaticContact CD2-CD2 3.78Å; Y1246-F1383 HydrophobicContact CD2-CD2 3.78Å; Y1246-F1383 HydrophobicContact CD2-CG 4.18Å; Y1246-F1383 AromaticContact CE1-CD2 3.71Å; Y1246-F1383 HydrophobicContact CE1-CD2 3.71Å; Y1246-F1383 AromaticContact CE1-CE2 3.97Å; Y1246-F1383 HydrophobicContact CE1-CE2 3.97Å; Y1246-F1383 HydrophobicContact CE2-CB 4.24Å; Y1246-F1383 AromaticContact CE2-CD2 3.93Å; Y1246-F1383 HydrophobicContact CE2-CD2 3.93Å; Y1246-F1383 HydrophobicContact CG-CB 4.46Å; Y1246-F1383 AromaticContact CG-CD2 3.63Å; Y1246-F1383 HydrophobicContact CG-CD2 3.63Å; Y1246-F1383 HydrophobicContact CG-CE2 4.18Å; Y1246-F1383 HydrophobicContact CG-CG 4.22Å; Y1246-F1383 AromaticContact CZ-CD2 3.91Å; P1247-F1383 HydrophobicContact CG-CE1 4.17Å; P1247-F1383 HydrophobicContact CG-CZ 4.47Å; Y1297-F1383 HydrophobicContact CE2-CE2 4.3Å; F1383-S1385 VanDerWaalsContact C-N 3.25Å; F1383-S1385 PolarHBondContact O-N 3.32Å |
| 1384 | A | 74.6 | Confident | 84.6 | Confident | 91 Ų | 91 | 60.5 Ų | 60.5 | 75% | 0.752 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | -1.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | V1382 Q1386 | V1382-A1384 VanDerWaalsContact C-N 3.31Å; V1382-A1384 PolarHBondContact O-N 2.63Å; A1384-Q1386 PolarHBondContact O-N 3.1Å |
| 1385 | S | 73.3 | Confident | 83.8 | Confident | 49 Ų | 49 | 64.1 Ų | 64.1 | 34% | 0.343 | 36% | 0.356 | S | S | . | . | trans | -65.7 | 130.1 | -178.7 | 177.3 | 0 | 0 | 0 | 0 | 112.1 | V1382 F1383 L1387 | V1382-S1385 VanDerWaalsContact O-CB 3.29Å; V1382-S1385 WeakPolarHBondContact O-CB 3.18Å; V1382-S1385 PolarHBondContact O-N 3.29Å; V1382-S1385 VanDerWaalsContact O-N 3.16Å; F1383-S1385 VanDerWaalsContact C-N 3.25Å; F1383-S1385 PolarHBondContact O-N 3.32Å; S1385-L1387 PolarHBondContact O-N 3.36Å; S1385-L1387 PolarHBondContact OG-N 3.2Å | ||
| 1386 | Q | 62.7 | Low | 82.7 | Confident | 198 Ų | 198 | 68.1 Ų | 68.1 | 93% | 0.925 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -72.4 | -15.7 | 173.1 | -67.1 | -174.1 | -7.4 | 0 | 0 | 113.2 | A1384 | A1384-Q1386 PolarHBondContact O-N 3.1Š|
| 1387 | L | 72.2 | Confident | 82 | Confident | 160 Ų | 160 | 68.8 Ų | 68.8 | 84% | 0.838 | 40% | 0.402 | S | S | * | . | trans | -120.6 | 56.3 | -173.3 | -67.8 | 170.7 | 0 | 0 | 0 | 111 | S1385 | S1385-L1387 PolarHBondContact O-N 3.36Å; S1385-L1387 PolarHBondContact OG-N 3.2Å | ||
| 1388 | L | 80 | Confident | 80.9 | Confident | 32 Ų | 32 | 72.2 Ų | 72.2 | 17% | 0.168 | 43% | 0.431 | C | S | . | . | P | Polyproline II helix | trans | -70.9 | 136.3 | 169.6 | -68.5 | 169.7 | 0 | 0 | 0 | 109.8 | L1195 P1198 | L1195-L1388 HydrophobicContact CB-CB 4.42Å; L1195-L1388 HydrophobicContact CD1-CB 4.44Å; L1195-L1388 HydrophobicContact CD1-CD1 4.27Å; L1195-L1388 HydrophobicContact CD2-CB 4.16Å; P1198-L1388 HydrophobicContact CB-CD2 3.81Å; P1198-L1388 HydrophobicContact CG-CD1 3.88Å; P1198-L1388 HydrophobicContact CG-CD2 3.74Å; P1198-L1388 HydrophobicContact CG-CG 4.49Å |
| 1389 | R | 87.4 | Confident | 80.5 | Confident | 26 Ų | 26 | 76.1 Ų | 76.1 | 10% | 0.098 | 46% | 0.458 | C | S | . | . | P | Polyproline II helix | trans | -61.7 | 161.5 | 172.3 | 66.7 | 178.8 | 168.7 | 91.9 | 14.3 | 111.2 | A1196 F1200 L1201 E1381 E1393 | A1196-R1389 HydrophobicContact CB-CG 3.55Å; A1196-R1389 VanDerWaalsContact CB-CZ 3.45Å; A1196-R1389 PolarHBondContact N-O 3.08Å; F1200-R1389 PolarHBondContact O-NH2 3.15Å; L1201-R1389 PolarHBondContact O-NH1 3.39Å; L1201-R1389 VanDerWaalsContact O-NH1 3.15Å; L1201-R1389 PolarHBondContact O-NH2 2.75Å; E1381-R1389 WeakPolarHBondContact OE1-CD 3.32Å; E1381-R1389 IonicContact OE1-CZ 3.99Å; E1381-R1389 IonicContact OE1-NE 2.63Å; E1381-R1389 PolarHBondContact OE1-NE 3.4Å; E1381-R1389 IonicContact OE1-NH2 3.23Å; E1381-R1389 IonicContact OE2-CZ 3.75Å; E1381-R1389 IonicContact OE2-NE 2.71Å; E1381-R1389 PolarHBondContact OE2-NE 3.46Å; E1381-R1389 IonicContact OE2-NH2 3.15Å; E1381-R1389 PolarHBondContact OE2-NH2 3.41Å; R1389-E1393 HydrophobicContact CB-CB 4.36Å; R1389-E1393 WeakPolarHBondContact CB-OE2 3.12Å; R1389-E1393 WeakPolarHBondContact CD-O 3.46Å; R1389-E1393 PolarHBondContact NH1-O 3.09Å |
| 1390 | K | 85.1 | Confident | 80.5 | Confident | 103 Ų | 103 | 78.3 Ų | 78.3 | 45% | 0.448 | 47% | 0.471 | S | S | . | . | B | Isolated β-bridge | trans | -70.4 | 149 | 170.1 | -63.9 | -177.8 | 176.4 | 177.7 | 0 | 110.4 | Q1194 N1392 E1393 | Q1194-K1390 CarbonylContact O-C 3.52Å; Q1194-K1390 WeakPolarHBondContact O-CA 3.14Å; K1390-N1392 WeakPolarHBondContact CB-OD1 3.4Å; K1390-N1392 PolarHBondContact O-N 3.05Å; K1390-N1392 VanDerWaalsContact O-N 3.1Å; K1390-E1393 HydrophobicContact CB-CG 4.06Å; K1390-E1393 PolarHBondContact N-OE2 3.44Å; K1390-E1393 WeakPolarHBondContact O-CB 3.11Å; K1390-E1393 PolarHBondContact O-N 3.26Å |
| 1391 | A | 81.4 | Confident | 80.8 | Confident | 16 Ų | 16 | 76.3 Ų | 76.3 | 13% | 0.132 | 46% | 0.459 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -26.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q1194 | Q1194-A1391 WeakPolarHBondContact O-CB 3.46Å; Q1194-A1391 PolarHBondContact O-N 3.15Å |
| 1392 | N | 80.3 | Confident | 81.1 | Confident | 125 Ų | 125 | 79.5 Ų | 79.5 | 67% | 0.668 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88 | -8.4 | 177.5 | 63.2 | -26.5 | 0 | 0 | 0 | 114.1 | K1390 I1394 | K1390-N1392 WeakPolarHBondContact CB-OD1 3.4Å; K1390-N1392 PolarHBondContact O-N 3.05Å; K1390-N1392 VanDerWaalsContact O-N 3.1Å; N1392-I1394 PolarHBondContact O-N 3.47Å; N1392-I1394 VanDerWaalsContact O-N 3.1Å |
| 1393 | E | 83.3 | Confident | 81.5 | Confident | 92 Ų | 92 | 76.8 Ų | 76.8 | 43% | 0.43 | 46% | 0.457 | S | S | . | . | trans | -81.5 | 85.9 | 175.9 | -71.3 | 168.1 | 176.6 | 0 | 0 | 109.3 | R1389 K1390 | R1389-E1393 HydrophobicContact CB-CB 4.36Å; R1389-E1393 WeakPolarHBondContact CB-OE2 3.12Å; R1389-E1393 WeakPolarHBondContact CD-O 3.46Å; R1389-E1393 PolarHBondContact NH1-O 3.09Å; K1390-E1393 HydrophobicContact CB-CG 4.06Å; K1390-E1393 PolarHBondContact N-OE2 3.44Å; K1390-E1393 WeakPolarHBondContact O-CB 3.11Å; K1390-E1393 PolarHBondContact O-N 3.26Å | ||
| 1394 | I | 81 | Confident | 81.9 | Confident | 58 Ų | 58 | 79.4 Ų | 79.4 | 30% | 0.297 | 47% | 0.47 | S | S | . | . | trans | -104.4 | -30.6 | -177.4 | -57.3 | 166 | 0 | 0 | 0 | 111 | L1201 Y1202 N1392 | L1201-I1394 HydrophobicContact CD1-CG2 3.92Å; L1201-I1394 HydrophobicContact CD2-CG2 4.08Å; L1201-I1394 HydrophobicContact CG-CG2 3.93Å; Y1202-I1394 HydrophobicContact CD1-CD1 4.13Å; Y1202-I1394 HydrophobicContact CE1-CD1 3.95Å; Y1202-I1394 HydrophobicContact CE1-CG2 3.96Å; N1392-I1394 PolarHBondContact O-N 3.47Å; N1392-I1394 VanDerWaalsContact O-N 3.1Å | ||
| 1395 | S | 77.6 | Confident | 82.7 | Confident | 116 Ų | 116 | 77 Ų | 77 | 81% | 0.811 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | 130.2 | -179.7 | 55.1 | 0 | 0 | 0 | 0 | 111.9 | ||
| 1396 | G | 73.8 | Confident | 83.8 | Confident | 84 Ų | 84 | 75.3 Ų | 75.3 | 87% | 0.866 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.9 | 10.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | A1398 | G1396-A1398 PolarHBondContact O-N 3.24Š|
| 1397 | V | 80.5 | Confident | 85.3 | Confident | 32 Ų | 32 | 68.6 Ų | 68.6 | 19% | 0.194 | 41% | 0.408 | C | S | . | . | trans | -67.5 | 115.7 | 172 | -177.5 | 0 | 0 | 0 | 0 | 109 | L1201 V1378 T1400 | L1201-V1397 HydrophobicContact CD1-CB 4.13Å; L1201-V1397 HydrophobicContact CD1-CG1 4.46Å; L1201-V1397 HydrophobicContact CD1-CG2 3.92Å; V1378-V1397 HydrophobicContact CB-CG1 4.4Å; V1378-V1397 HydrophobicContact CG1-CG1 3.56Å; V1378-V1397 HydrophobicContact CG2-CG1 3.85Å; V1397-T1400 HydrophobicContact CB-CG2 4.4Å; V1397-T1400 HydrophobicContact CG1-CG2 4.29Å | ||
| 1398 | A | 73.7 | Confident | 86.3 | Confident | 73 Ų | 73 | 64.3 Ų | 64.3 | 60% | 0.603 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -75.2 | 151.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | G1396 | G1396-A1398 PolarHBondContact O-N 3.24Š|
| 1399 | S | 83.4 | Confident | 87.1 | Confident | 81 Ų | 81 | 62.8 Ų | 62.8 | 57% | 0.566 | 38% | 0.378 | S | S | * | . | S | Bend | trans | 66.1 | 37.3 | 173.3 | -51.3 | 0 | 0 | 0 | 0 | 116.1 | P1379 | P1379-S1399 WeakPolarHBondContact CD-O 3.39Š|
| 1400 | T | 91.1 | Very high | 87.4 | Confident | 71 Ų | 71 | 63.3 Ų | 63.3 | 44% | 0.436 | 38% | 0.384 | S | S | . | . | trans | -70.6 | 138.6 | 171.9 | 56.7 | 0 | 0 | 0 | 0 | 111.8 | L1201 I1376 L1377 V1378 V1397 | L1201-T1400 HydrophobicContact CD1-CG2 4.49Å; L1201-T1400 HydrophobicContact CD2-CG2 4.5Å; I1376-T1400 HydrophobicContact CG2-CG2 4.33Å; L1377-T1400 CarbonylContact O-C 3.58Å; L1377-T1400 VanDerWaalsContact O-CA 3.27Å; L1377-T1400 WeakPolarHBondContact O-CA 3.45Å; V1378-T1400 HydrophobicContact CG2-CG2 4.32Å; V1397-T1400 HydrophobicContact CB-CG2 4.4Å; V1397-T1400 HydrophobicContact CG1-CG2 4.29Å | ||
| 1401 | V | 93.2 | Very high | 87.9 | Confident | 52 Ų | 52 | 61.3 Ų | 61.3 | 32% | 0.315 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 122.6 | 173.8 | -177.7 | 0 | 0 | 0 | 0 | 109.1 | I1376 L1377 P1379 I1403 F1412 | I1376-V1401 WeakPolarHBondContact CA-O 3.11Å; L1377-V1401 PolarHBondContact N-O 2.87Å; L1377-V1401 PolarHBondContact O-N 2.96Å; P1379-V1401 HydrophobicContact CG-CB 4.38Å; P1379-V1401 HydrophobicContact CG-CG2 3.73Å; V1401-I1403 HydrophobicContact CG1-CD1 4.06Å; V1401-F1412 HydrophobicContact CB-CE2 4.47Å; V1401-F1412 HydrophobicContact CG1-CD2 4.21Å; V1401-F1412 HydrophobicContact CG1-CE2 4.22Å; V1401-F1412 HydrophobicContact CG2-CE2 4.32Å |
| 1402 | E | 95.5 | Very high | 88.6 | Confident | 94 Ų | 94 | 61.9 Ų | 61.9 | 44% | 0.439 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 115.6 | 176.8 | -173.3 | -179.3 | 174.8 | 0 | 0 | 110.3 | N1374 I1376 Q1404 | N1374-E1402 HydrophobicContact CB-CG 3.61Å; N1374-E1402 VanDerWaalsContact CB-OE1 3.27Å; N1374-E1402 WeakPolarHBondContact CB-OE1 3.3Å; N1374-E1402 PolarHBondContact ND2-OE1 2.64Å; I1376-E1402 HydrophobicContact CG1-CG 4.28Å; E1402-Q1404 VanDerWaalsContact CD-NE2 3.32Å |
| 1403 | I | 96.3 | Very high | 89.2 | Confident | 5 Ų | 5 | 56.1 Ų | 56.1 | 3% | 0.026 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 113.6 | -179.4 | -52.8 | -66 | 0 | 0 | 0 | 109.3 | Y1233 N1374 L1375 L1377 V1401 S1405 D1408 M1409 F1412 | Y1233-I1403 WeakPolarHBondContact OH-CG2 3.29Å; N1374-I1403 WeakPolarHBondContact CB-O 3.42Å; L1375-I1403 HydrophobicContact CB-CB 4.2Å; L1375-I1403 HydrophobicContact CB-CG1 4.47Å; L1375-I1403 PolarHBondContact O-N 2.78Å; L1377-I1403 HydrophobicContact CD1-CD1 3.93Å; L1377-I1403 HydrophobicContact CD1-CG1 3.79Å; L1377-I1403 HydrophobicContact CG-CG1 4.09Å; V1401-I1403 HydrophobicContact CG1-CD1 4.06Å; I1403-S1405 WeakPolarHBondContact CG2-O 3.44Å; I1403-D1408 HydrophobicContact CG2-CB 4.16Å; I1403-M1409 HydrophobicContact CD1-SD 4.15Å; I1403-M1409 HydrophobicContact CG1-SD 3.91Å; I1403-M1409 HydrophobicContact CG2-CB 3.72Å; I1403-M1409 HydrophobicContact CG2-CG 4.49Å; I1403-M1409 HydrophobicContact CG2-SD 4.16Å; I1403-F1412 HydrophobicContact CD1-CB 3.95Å; I1403-F1412 HydrophobicContact CD1-CD1 4.21Å; I1403-F1412 HydrophobicContact CD1-CD2 4.37Å; I1403-F1412 HydrophobicContact CD1-CG 3.9Å |
| 1404 | Q | 92.7 | Very high | 89.7 | Confident | 110 Ų | 110 | 59.1 Ų | 59.1 | 51% | 0.514 | 36% | 0.36 | S | S | . | . | trans | -81.5 | -27.6 | -174.5 | -57.1 | -64.7 | -38 | 0 | 0 | 113.1 | N1374 E1402 D1408 | N1374-Q1404 PolarHBondContact ND2-OE1 3.5Å; E1402-Q1404 VanDerWaalsContact CD-NE2 3.32Å; Q1404-D1408 WeakPolarHBondContact CB-OD2 3.32Å | ||
| 1405 | S | 92.8 | Very high | 90.3 | Very high | 40 Ų | 40 | 62.3 Ų | 62.3 | 28% | 0.28 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -154.2 | 169.1 | -176.2 | 73.4 | 0 | 0 | 0 | 0 | 113.3 | I1403 P1407 D1408 M1409 | I1403-S1405 WeakPolarHBondContact CG2-O 3.44Å; S1405-P1407 WeakPolarHBondContact OG-CD 3.35Å; S1405-D1408 WeakPolarHBondContact CB-OD2 3.46Å; S1405-D1408 PolarHBondContact N-OD2 3Å; S1405-D1408 PolarHBondContact O-N 2.9Å; S1405-D1408 PolarHBondContact OG-N 2.87Å; S1405-D1408 PolarHBondContact OG-OD2 2.8Å; S1405-M1409 PolarHBondContact O-N 3.06Å |
| 1406 | M | 94.9 | Very high | 90.9 | Very high | 14 Ų | 14 | 58.3 Ų | 58.3 | 7% | 0.069 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -58.2 | -47.5 | 174.3 | 176.9 | -77.7 | -74.7 | 0 | 0 | 112.5 | Y1212 A1229 E1232 Y1233 D1408 M1409 V1410 | Y1212-M1406 HydrophobicContact CD1-CE 4.09Å; Y1212-M1406 HydrophobicContact CD2-CE 3.42Å; Y1212-M1406 VanDerWaalsContact CD2-CE 3.42Å; Y1212-M1406 HydrophobicContact CE1-CE 4.32Å; Y1212-M1406 HydrophobicContact CE2-CE 3.71Å; Y1212-M1406 HydrophobicContact CG-CE 3.63Å; A1229-M1406 HydrophobicContact CB-CE 4.43Å; A1229-M1406 VanDerWaalsContact O-CG 3.32Å; A1229-M1406 WeakPolarHBondContact O-CG 3.31Å; E1232-M1406 HydrophobicContact CB-CE 4.27Å; E1232-M1406 HydrophobicContact CB-CG 4.08Å; E1232-M1406 HydrophobicContact CB-SD 3.79Å; Y1233-M1406 HydrophobicContact CD2-CB 3.64Å; Y1233-M1406 HydrophobicContact CD2-CG 4.2Å; Y1233-M1406 HydrophobicContact CE2-CB 4.28Å; Y1233-M1406 HydrophobicContact CG-CB 4.2Å; Y1233-M1406 HydrophobicContact CG-CG 4.26Å; M1406-D1408 VanDerWaalsContact C-N 3.26Å; M1406-D1408 PolarHBondContact O-N 3.31Å; M1406-M1409 WeakPolarHBondContact O-CB 3.47Å; M1406-M1409 PolarHBondContact O-N 2.93Å; M1406-M1409 VanDerWaalsContact O-N 3.09Å; M1406-V1410 PolarHBondContact O-N 2.95Å; M1406-V1410 HydrophobicContact SD-CG2 3.71Å |
| 1407 | P | 94.1 | Very high | 91.6 | Very high | 56 Ų | 56 | 56.8 Ų | 56.8 | 36% | 0.364 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -55.7 | -39 | 174.4 | -29 | 35.9 | 0 | 0 | 0 | 113.7 | Y1212 S1405 M1409 V1410 S1411 | Y1212-P1407 HydrophobicContact CD2-CG 4.16Å; Y1212-P1407 HydrophobicContact CE2-CG 4.09Å; S1405-P1407 WeakPolarHBondContact OG-CD 3.35Å; P1407-M1409 VanDerWaalsContact C-N 3.34Å; P1407-V1410 PolarHBondContact O-N 3.04Å; P1407-S1411 PolarHBondContact O-N 2.87Å; P1407-S1411 PolarHBondContact O-OG 3.22Å; P1407-S1411 VanDerWaalsContact O-OG 3.08Å |
| 1408 | D | 94.8 | Very high | 92 | Very high | 70 Ų | 70 | 59 Ų | 59 | 37% | 0.374 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -65.7 | -38.9 | 177 | -55.5 | -38.1 | 0 | 0 | 0 | 111.3 | I1403 Q1404 S1405 M1406 S1411 F1412 | I1403-D1408 HydrophobicContact CG2-CB 4.16Å; Q1404-D1408 WeakPolarHBondContact CB-OD2 3.32Å; S1405-D1408 WeakPolarHBondContact CB-OD2 3.46Å; S1405-D1408 PolarHBondContact N-OD2 3Å; S1405-D1408 PolarHBondContact O-N 2.9Å; S1405-D1408 PolarHBondContact OG-N 2.87Å; S1405-D1408 PolarHBondContact OG-OD2 2.8Å; M1406-D1408 VanDerWaalsContact C-N 3.26Å; M1406-D1408 PolarHBondContact O-N 3.31Å; D1408-S1411 PolarHBondContact O-N 3.11Å; D1408-F1412 WeakPolarHBondContact O-CB 3.36Å; D1408-F1412 PolarHBondContact O-N 3.21Å |
| 1409 | M | 96 | Very high | 92.7 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61.2 | -45.4 | 174.2 | -170 | 62.6 | -172.8 | 0 | 0 | 111.6 | Y1233 A1236 I1237 Y1240 L1375 L1377 I1403 S1405 M1406 P1407 F1412 V1413 | Y1233-M1409 HydrophobicContact CD1-CB 3.89Å; Y1233-M1409 HydrophobicContact CD1-CG 3.66Å; Y1233-M1409 HydrophobicContact CE1-CB 3.57Å; Y1233-M1409 HydrophobicContact CE1-CG 3.43Å; Y1233-M1409 VanDerWaalsContact CE1-CG 3.43Å; Y1233-M1409 HydrophobicContact CE1-SD 3.94Å; A1236-M1409 HydrophobicContact CB-CG 3.68Å; I1237-M1409 HydrophobicContact CB-CE 4.5Å; I1237-M1409 HydrophobicContact CG1-CE 3.9Å; Y1240-M1409 HydrophobicContact CD1-CE 4.47Å; Y1240-M1409 HydrophobicContact CG-CE 4.35Å; L1375-M1409 HydrophobicContact CD2-CE 4.21Å; L1375-M1409 HydrophobicContact CD2-SD 3.99Å; L1377-M1409 HydrophobicContact CD1-CE 4.17Å; L1377-M1409 HydrophobicContact CD1-SD 4.08Å; I1403-M1409 HydrophobicContact CD1-SD 4.15Å; I1403-M1409 HydrophobicContact CG1-SD 3.91Å; I1403-M1409 HydrophobicContact CG2-CB 3.72Å; I1403-M1409 HydrophobicContact CG2-CG 4.49Å; I1403-M1409 HydrophobicContact CG2-SD 4.16Å; S1405-M1409 PolarHBondContact O-N 3.06Å; M1406-M1409 WeakPolarHBondContact O-CB 3.47Å; M1406-M1409 PolarHBondContact O-N 2.93Å; M1406-M1409 VanDerWaalsContact O-N 3.09Å; P1407-M1409 VanDerWaalsContact C-N 3.34Å; M1409-F1412 PolarHBondContact O-N 2.77Å; M1409-V1413 HydrophobicContact CE-CG2 3.75Å; M1409-V1413 HydrophobicContact CG-CG2 4.46Å; M1409-V1413 WeakPolarHBondContact O-CB 3.22Å; M1409-V1413 VanDerWaalsContact O-CG2 3.27Å; M1409-V1413 WeakPolarHBondContact O-CG2 3.38Å; M1409-V1413 PolarHBondContact O-N 3.4Å; M1409-V1413 HydrophobicContact SD-CG2 4.47Å |
| 1410 | V | 94.1 | Very high | 92.7 | Very high | 37 Ų | 37 | 57.7 Ų | 57.7 | 22% | 0.224 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -65.3 | -43.4 | -179.2 | 174.7 | 0 | 0 | 0 | 0 | 110.7 | A1236 M1406 P1407 V1413 Y1414 | A1236-V1410 HydrophobicContact CB-CG2 4.35Å; M1406-V1410 PolarHBondContact O-N 2.95Å; M1406-V1410 HydrophobicContact SD-CG2 3.71Å; P1407-V1410 PolarHBondContact O-N 3.04Å; V1410-V1413 PolarHBondContact O-N 2.67Å; V1410-Y1414 WeakPolarHBondContact O-CB 3.45Å; V1410-Y1414 PolarHBondContact O-N 2.86Å |
| 1411 | S | 95.1 | Very high | 92.1 | Very high | 61 Ų | 61 | 55.2 Ų | 55.2 | 43% | 0.427 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62.3 | -47.1 | 174.9 | -61.8 | 0 | 0 | 0 | 0 | 111.4 | P1407 D1408 V1413 Y1414 E1415 | P1407-S1411 PolarHBondContact O-N 2.87Å; P1407-S1411 PolarHBondContact O-OG 3.22Å; P1407-S1411 VanDerWaalsContact O-OG 3.08Å; D1408-S1411 PolarHBondContact O-N 3.11Å; S1411-V1413 PolarHBondContact O-N 3.15Å; S1411-Y1414 PolarHBondContact O-N 3.35Å; S1411-E1415 WeakPolarHBondContact O-CB 3.27Å; S1411-E1415 WeakPolarHBondContact O-CG 3.29Å; S1411-E1415 PolarHBondContact O-N 3.24Å |
| 1412 | F | 96.3 | Very high | 91.4 | Very high | 29 Ų | 29 | 59.8 Ų | 59.8 | 13% | 0.127 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -58.4 | -46.2 | 176.6 | 172.4 | -94.7 | 0 | 0 | 0 | 112 | Y1240 L1377 P1379 V1401 I1403 D1408 M1409 Y1414 E1415 Y1416 | Y1240-F1412 AromaticContact CD2-CE1 3.79Å; Y1240-F1412 HydrophobicContact CD2-CE1 3.79Å; Y1240-F1412 AromaticContact CE2-CE1 3.63Å; Y1240-F1412 HydrophobicContact CE2-CE1 3.63Å; Y1240-F1412 HydrophobicContact CE2-CZ 4.02Å; Y1240-F1412 HydrophobicContact CG-CE1 4.49Å; L1377-F1412 HydrophobicContact CD1-CD1 3.77Å; L1377-F1412 HydrophobicContact CD1-CE1 3.4Å; L1377-F1412 HydrophobicContact CD1-CZ 3.97Å; P1379-F1412 HydrophobicContact CB-CZ 4.13Å; P1379-F1412 HydrophobicContact CG-CE2 3.98Å; P1379-F1412 HydrophobicContact CG-CZ 3.67Å; V1401-F1412 HydrophobicContact CB-CE2 4.47Å; V1401-F1412 HydrophobicContact CG1-CD2 4.21Å; V1401-F1412 HydrophobicContact CG1-CE2 4.22Å; V1401-F1412 HydrophobicContact CG2-CE2 4.32Å; I1403-F1412 HydrophobicContact CD1-CB 3.95Å; I1403-F1412 HydrophobicContact CD1-CD1 4.21Å; I1403-F1412 HydrophobicContact CD1-CD2 4.37Å; I1403-F1412 HydrophobicContact CD1-CG 3.9Å; D1408-F1412 WeakPolarHBondContact O-CB 3.36Å; D1408-F1412 PolarHBondContact O-N 3.21Å; M1409-F1412 PolarHBondContact O-N 2.77Å; F1412-Y1414 VanDerWaalsContact C-N 3.34Å; F1412-Y1414 PolarHBondContact O-N 2.74Å; F1412-E1415 PolarHBondContact O-N 3.27Å; F1412-Y1416 HydrophobicContact CZ-CD2 4.14Å; F1412-Y1416 VanDerWaalsContact O-CB 3.23Å; F1412-Y1416 WeakPolarHBondContact O-CB 3.32Å; F1412-Y1416 PolarHBondContact O-N 3.46Å |
| 1413 | V | 93.6 | Very high | 90.7 | Very high | 4 Ų | 4 | 58.4 Ų | 58.4 | 2% | 0.024 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64.3 | -39.9 | 177.6 | 165.6 | 0 | 0 | 0 | 0 | 111.5 | A1236 M1239 M1243 M1409 V1410 S1411 Y1417 | A1236-V1413 HydrophobicContact CB-CG2 4.17Å; A1236-V1413 WeakPolarHBondContact O-CG2 3.47Å; M1239-V1413 HydrophobicContact CB-CG1 3.89Å; M1239-V1413 HydrophobicContact CE-CG1 3.93Å; M1239-V1413 HydrophobicContact SD-CG1 4.46Å; M1243-V1413 HydrophobicContact CE-CB 4.34Å; M1243-V1413 HydrophobicContact CE-CG1 3.72Å; M1243-V1413 HydrophobicContact CE-CG2 4.48Å; M1409-V1413 HydrophobicContact CE-CG2 3.75Å; M1409-V1413 HydrophobicContact CG-CG2 4.46Å; M1409-V1413 WeakPolarHBondContact O-CB 3.22Å; M1409-V1413 VanDerWaalsContact O-CG2 3.27Å; M1409-V1413 WeakPolarHBondContact O-CG2 3.38Å; M1409-V1413 PolarHBondContact O-N 3.4Å; M1409-V1413 HydrophobicContact SD-CG2 4.47Å; V1410-V1413 PolarHBondContact O-N 2.67Å; S1411-V1413 PolarHBondContact O-N 3.15Å; V1413-Y1417 VanDerWaalsContact O-CB 3.26Å; V1413-Y1417 WeakPolarHBondContact O-CB 3.33Å; V1413-Y1417 PolarHBondContact O-N 3.25Å |
| 1414 | Y | 92.3 | Very high | 89.7 | Confident | 155 Ų | 155 | 59.1 Ų | 59.1 | 61% | 0.608 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -64.5 | -46.7 | 176.4 | 178.3 | -98.1 | 0 | 0 | 0 | 111.7 | V1410 S1411 F1412 Y1417 T1418 | V1410-Y1414 WeakPolarHBondContact O-CB 3.45Å; V1410-Y1414 PolarHBondContact O-N 2.86Å; S1411-Y1414 PolarHBondContact O-N 3.35Å; F1412-Y1414 VanDerWaalsContact C-N 3.34Å; F1412-Y1414 PolarHBondContact O-N 2.74Å; Y1414-Y1417 PolarHBondContact O-N 3.31Å; Y1414-T1418 HydrophobicContact CE1-CG2 4.26Å; Y1414-T1418 HydrophobicContact CE2-CG2 4.46Å; Y1414-T1418 PolarHBondContact O-N 3.31Å; Y1414-T1418 PolarHBondContact O-OG1 2.96Å |
| 1415 | E | 93.5 | Very high | 89 | Confident | 125 Ų | 125 | 61.5 Ų | 61.5 | 58% | 0.584 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -63.6 | -42 | 175.9 | -72.4 | 175.7 | -171.8 | 0 | 0 | 112.1 | S1411 F1412 Y1417 T1418 A1419 | S1411-E1415 WeakPolarHBondContact O-CB 3.27Å; S1411-E1415 WeakPolarHBondContact O-CG 3.29Å; S1411-E1415 PolarHBondContact O-N 3.24Å; F1412-E1415 PolarHBondContact O-N 3.27Å; E1415-Y1417 VanDerWaalsContact C-N 3.33Å; E1415-Y1417 PolarHBondContact O-N 3.11Å; E1415-T1418 WeakPolarHBondContact CA-OG1 3.5Å; E1415-T1418 PolarHBondContact O-N 3.03Å; E1415-T1418 PolarHBondContact O-OG1 2.85Å; E1415-T1418 VanDerWaalsContact O-OG1 3.11Å; E1415-A1419 VanDerWaalsContact O-CB 3.24Å; E1415-A1419 WeakPolarHBondContact O-CB 3.33Å; E1415-A1419 PolarHBondContact O-N 3.45Å |
| 1416 | Y | 91.1 | Very high | 88.2 | Confident | 32 Ų | 32 | 65.4 Ų | 65.4 | 13% | 0.125 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -64.5 | -39.4 | 175.6 | -166.2 | -89 | 0 | 0 | 0 | 111.3 | Y1240 M1243 L1244 P1379 F1412 N1420 | Y1240-Y1416 HydrophobicContact CD2-CD1 4.43Å; Y1240-Y1416 HydrophobicContact CE2-CD1 4.49Å; Y1240-Y1416 HydrophobicContact CE2-CD2 4.41Å; Y1240-Y1416 HydrophobicContact CE2-CE1 4.41Å; Y1240-Y1416 HydrophobicContact CE2-CE2 4.34Å; Y1240-Y1416 HydrophobicContact CE2-CG 4.49Å; M1243-Y1416 HydrophobicContact CB-CD1 4.02Å; M1243-Y1416 HydrophobicContact CB-CE1 3.9Å; M1243-Y1416 HydrophobicContact CE-CD1 3.72Å; M1243-Y1416 HydrophobicContact CE-CG 4.4Å; M1243-Y1416 HydrophobicContact SD-CD1 3.89Å; L1244-Y1416 HydrophobicContact CD2-CE1 4.45Å; L1244-Y1416 VanDerWaalsContact CD2-OH 3.3Å; L1244-Y1416 WeakPolarHBondContact CD2-OH 3.41Å; P1379-Y1416 HydrophobicContact CB-CD2 4.39Å; P1379-Y1416 HydrophobicContact CB-CE2 3.89Å; P1379-Y1416 PolarHBondContact O-OH 3Å; F1412-Y1416 HydrophobicContact CZ-CD2 4.14Å; F1412-Y1416 VanDerWaalsContact O-CB 3.23Å; F1412-Y1416 WeakPolarHBondContact O-CB 3.32Å; F1412-Y1416 PolarHBondContact O-N 3.46Å; Y1416-N1420 WeakPolarHBondContact CE1-ND2 3.49Å; Y1416-N1420 WeakPolarHBondContact O-CB 3.28Å; Y1416-N1420 PolarHBondContact O-N 2.91Å; Y1416-N1420 VanDerWaalsContact O-N 3.13Å; Y1416-N1420 PolarHBondContact O-ND2 3.14Å |
| 1417 | Y | 88.5 | Confident | 87.1 | Confident | 52 Ų | 52 | 70.4 Ų | 70.4 | 20% | 0.204 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -65.4 | -49.3 | 175.2 | -176.2 | -101.1 | 0 | 0 | 0 | 111.3 | M1243 N1275 L1277 V1413 Y1414 E1415 A1419 N1420 A1421 | M1243-Y1417 HydrophobicContact CG-CD2 4.33Å; M1243-Y1417 VanDerWaalsContact SD-CA 3.54Å; M1243-Y1417 VanDerWaalsContact SD-CB 3.51Å; M1243-Y1417 HydrophobicContact SD-CD2 3.64Å; M1243-Y1417 HydrophobicContact SD-CG 4.07Å; N1275-Y1417 PolarHBondContact ND2-OH 3.16Å; L1277-Y1417 HydrophobicContact CD1-CE2 4.44Å; V1413-Y1417 VanDerWaalsContact O-CB 3.26Å; V1413-Y1417 WeakPolarHBondContact O-CB 3.33Å; V1413-Y1417 PolarHBondContact O-N 3.25Å; Y1414-Y1417 PolarHBondContact O-N 3.31Å; E1415-Y1417 VanDerWaalsContact C-N 3.33Å; E1415-Y1417 PolarHBondContact O-N 3.11Å; Y1417-A1419 VanDerWaalsContact C-N 3.33Å; Y1417-A1419 PolarHBondContact O-N 2.89Å; Y1417-N1420 PolarHBondContact O-N 3.34Å; Y1417-A1421 HydrophobicContact CE1-CB 4.39Å; Y1417-A1421 WeakPolarHBondContact O-CA 3.38Å; Y1417-A1421 WeakPolarHBondContact O-CB 3.31Å; Y1417-A1421 PolarHBondContact O-N 3.45Å |
| 1418 | T | 89 | Confident | 85.9 | Confident | 79 Ų | 79 | 73.1 Ų | 73.1 | 49% | 0.485 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -63.9 | -36.6 | 178.9 | 38 | 0 | 0 | 0 | 0 | 112.6 | Y1414 E1415 | Y1414-T1418 HydrophobicContact CE1-CG2 4.26Å; Y1414-T1418 HydrophobicContact CE2-CG2 4.46Å; Y1414-T1418 PolarHBondContact O-N 3.31Å; Y1414-T1418 PolarHBondContact O-OG1 2.96Å; E1415-T1418 WeakPolarHBondContact CA-OG1 3.5Å; E1415-T1418 PolarHBondContact O-N 3.03Å; E1415-T1418 PolarHBondContact O-OG1 2.85Å; E1415-T1418 VanDerWaalsContact O-OG1 3.11Å |
| 1419 | A | 88 | Confident | 84.9 | Confident | 78 Ų | 78 | 72 Ų | 72 | 65% | 0.645 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -68.4 | -31.9 | 177 | 0 | 0 | 0 | 0 | 0 | 113.5 | E1415 Y1417 | E1415-A1419 VanDerWaalsContact O-CB 3.24Å; E1415-A1419 WeakPolarHBondContact O-CB 3.33Å; E1415-A1419 PolarHBondContact O-N 3.45Å; Y1417-A1419 VanDerWaalsContact C-N 3.33Å; Y1417-A1419 PolarHBondContact O-N 2.89Å |
| 1420 | N | 84.7 | Confident | 83.6 | Confident | 48 Ų | 48 | 75 Ų | 75 | 26% | 0.257 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -111.5 | -1 | -174.4 | -62.4 | -67.9 | 0 | 0 | 0 | 114.3 | Y1416 Y1417 E1422 T1423 L1424 | Y1416-N1420 WeakPolarHBondContact CE1-ND2 3.49Å; Y1416-N1420 WeakPolarHBondContact O-CB 3.28Å; Y1416-N1420 PolarHBondContact O-N 2.91Å; Y1416-N1420 VanDerWaalsContact O-N 3.13Å; Y1416-N1420 PolarHBondContact O-ND2 3.14Å; Y1417-N1420 PolarHBondContact O-N 3.34Å; N1420-E1422 VanDerWaalsContact C-N 3.29Å; N1420-E1422 PolarHBondContact O-N 2.87Å; N1420-T1423 PolarHBondContact O-N 3.09Å; N1420-L1424 HydrophobicContact CB-CD1 4.03Å; N1420-L1424 HydrophobicContact CB-CG 4.22Å; N1420-L1424 WeakPolarHBondContact O-CB 3.46Å; N1420-L1424 VanDerWaalsContact O-CG 3.3Å; N1420-L1424 WeakPolarHBondContact O-CG 3.39Å; N1420-L1424 PolarHBondContact O-N 3.19Å |
| 1421 | A | 77.5 | Confident | 82.2 | Confident | 18 Ų | 18 | 76.8 Ų | 76.8 | 15% | 0.149 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -57.2 | -38.9 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y1417 R1425 | Y1417-A1421 HydrophobicContact CE1-CB 4.39Å; Y1417-A1421 WeakPolarHBondContact O-CA 3.38Å; Y1417-A1421 WeakPolarHBondContact O-CB 3.31Å; Y1417-A1421 PolarHBondContact O-N 3.45Å; A1421-R1425 WeakPolarHBondContact O-CB 3.4Å; A1421-R1425 VanDerWaalsContact O-CG 3.26Å; A1421-R1425 WeakPolarHBondContact O-CG 3.31Å; A1421-R1425 PolarHBondContact O-N 3.07Å |
| 1422 | E | 79.1 | Confident | 80.8 | Confident | 148 Ų | 148 | 76.7 Ų | 76.7 | 69% | 0.692 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -70.1 | -46.1 | 179.4 | -167.7 | 164.9 | -165.2 | 0 | 0 | 111.3 | N1420 R1425 Q1426 | N1420-E1422 VanDerWaalsContact C-N 3.29Å; N1420-E1422 PolarHBondContact O-N 2.87Å; E1422-R1425 PolarHBondContact O-N 3.2Å; E1422-Q1426 WeakPolarHBondContact O-CG 3.43Å; E1422-Q1426 PolarHBondContact O-N 3.36Å |
| 1423 | T | 79.9 | Confident | 78.4 | Confident | 65 Ų | 65 | 83.3 Ų | 83.3 | 40% | 0.399 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -58.7 | -48.1 | 174 | -45.6 | 0 | 0 | 0 | 0 | 111.7 | N1420 R1425 Q1426 E1427 | N1420-T1423 PolarHBondContact O-N 3.09Å; T1423-R1425 VanDerWaalsContact C-N 3.31Å; T1423-R1425 PolarHBondContact O-N 3.28Å; T1423-Q1426 WeakPolarHBondContact O-CB 3.5Å; T1423-Q1426 PolarHBondContact O-N 2.95Å; T1423-Q1426 VanDerWaalsContact O-N 3.12Å; T1423-E1427 WeakPolarHBondContact O-CG 3.43Å; T1423-E1427 PolarHBondContact O-N 3.36Å |
| 1424 | L | 76.9 | Confident | 76.3 | Confident | 20 Ų | 20 | 86.6 Ų | 86.6 | 11% | 0.105 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -62.6 | -37.3 | 179.4 | -71.7 | 169.2 | 0 | 0 | 0 | 112.2 | M1243 L1277 N1420 W1428 | M1243-L1424 HydrophobicContact CB-CD1 4.13Å; M1243-L1424 HydrophobicContact CG-CD1 3.98Å; M1243-L1424 WeakPolarHBondContact O-CD2 3.23Å; L1277-L1424 HydrophobicContact CD1-CB 4.13Å; L1277-L1424 HydrophobicContact CD2-CB 4.4Å; L1277-L1424 WeakPolarHBondContact CD2-O 3.36Å; N1420-L1424 HydrophobicContact CB-CD1 4.03Å; N1420-L1424 HydrophobicContact CB-CG 4.22Å; N1420-L1424 WeakPolarHBondContact O-CB 3.46Å; N1420-L1424 VanDerWaalsContact O-CG 3.3Å; N1420-L1424 WeakPolarHBondContact O-CG 3.39Å; N1420-L1424 PolarHBondContact O-N 3.19Å; L1424-W1428 WeakPolarHBondContact O-CB 3.39Å; L1424-W1428 PolarHBondContact O-N 3.23Å |
| 1425 | R | 77.3 | Confident | 74 | Confident | 160 Ų | 160 | 85.3 Ų | 85.3 | 60% | 0.604 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -66.5 | -40.7 | 173.9 | -78.6 | 177.6 | -175.1 | -177.6 | 2.6 | 111.9 | L1277 A1421 E1422 T1423 A1429 | L1277-R1425 HydrophobicContact CD1-CG 4.18Å; A1421-R1425 WeakPolarHBondContact O-CB 3.4Å; A1421-R1425 VanDerWaalsContact O-CG 3.26Å; A1421-R1425 WeakPolarHBondContact O-CG 3.31Å; A1421-R1425 PolarHBondContact O-N 3.07Å; E1422-R1425 PolarHBondContact O-N 3.2Å; T1423-R1425 VanDerWaalsContact C-N 3.31Å; T1423-R1425 PolarHBondContact O-N 3.28Å; R1425-A1429 VanDerWaalsContact O-CB 3.27Å; R1425-A1429 WeakPolarHBondContact O-CB 3.39Å; R1425-A1429 PolarHBondContact O-N 2.88Å |
| 1426 | Q | 76.4 | Confident | 71.2 | Confident | 122 Ų | 122 | 85.7 Ų | 85.7 | 57% | 0.57 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -66 | -45.9 | 176.7 | -71 | 174.2 | 8.6 | 0 | 0 | 111.4 | E1422 T1423 W1428 A1429 A1430 | E1422-Q1426 WeakPolarHBondContact O-CG 3.43Å; E1422-Q1426 PolarHBondContact O-N 3.36Å; T1423-Q1426 WeakPolarHBondContact O-CB 3.5Å; T1423-Q1426 PolarHBondContact O-N 2.95Å; T1423-Q1426 VanDerWaalsContact O-N 3.12Å; Q1426-W1428 PolarHBondContact O-N 2.66Å; Q1426-A1429 PolarHBondContact O-N 2.89Å; Q1426-A1430 VanDerWaalsContact O-CB 3.31Å; Q1426-A1430 WeakPolarHBondContact O-CB 3.17Å; Q1426-A1430 PolarHBondContact O-N 3.26Å |
| 1427 | E | 71.6 | Confident | 68.5 | Low | 119 Ų | 119 | 92.2 Ų | 92.2 | 56% | 0.556 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.2 | -41.3 | 176 | -73.3 | -179.9 | 170.6 | 0 | 0 | 112.1 | T1423 A1430 A1431 | T1423-E1427 WeakPolarHBondContact O-CG 3.43Å; T1423-E1427 PolarHBondContact O-N 3.36Å; E1427-A1430 PolarHBondContact O-N 2.89Å; E1427-A1431 VanDerWaalsContact O-CB 3.25Å; E1427-A1431 WeakPolarHBondContact O-CB 3.14Å; E1427-A1431 PolarHBondContact O-N 3.44Å |
| 1428 | W | 69.3 | Low | 65.8 | Low | 114 Ų | 114 | 95.1 Ų | 95.1 | 43% | 0.432 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -67.4 | -40.2 | 175.6 | -177.9 | 88.3 | 0 | 0 | 0 | 112.5 | P1276 L1277 L1424 Q1426 N1432 | P1276-W1428 HydrophobicContact CB-CH2 4.33Å; P1276-W1428 HydrophobicContact CB-CZ2 3.51Å; P1276-W1428 HydrophobicContact CG-CZ2 4.25Å; L1277-W1428 HydrophobicContact CD2-CB 3.31Å; L1277-W1428 HydrophobicContact CD2-CD2 4.37Å; L1277-W1428 HydrophobicContact CD2-CG 3.54Å; L1424-W1428 WeakPolarHBondContact O-CB 3.39Å; L1424-W1428 PolarHBondContact O-N 3.23Å; Q1426-W1428 PolarHBondContact O-N 2.66Å; W1428-N1432 WeakPolarHBondContact CZ2-ND2 3.38Å; W1428-N1432 PolarHBondContact NE1-ND2 3.39Å; W1428-N1432 WeakPolarHBondContact O-CB 3.45Å; W1428-N1432 PolarHBondContact O-N 3.09Å; W1428-N1432 VanDerWaalsContact O-N 3.11Å; W1428-N1432 PolarHBondContact O-ND2 3.03Å |
| 1429 | A | 72.7 | Confident | 63 | Low | 46 Ų | 46 | 98.2 Ų | 98.2 | 38% | 0.38 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -63.1 | -45 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | R1425 Q1426 N1432 E1433 | R1425-A1429 VanDerWaalsContact O-CB 3.27Å; R1425-A1429 WeakPolarHBondContact O-CB 3.39Å; R1425-A1429 PolarHBondContact O-N 2.88Å; Q1426-A1429 PolarHBondContact O-N 2.89Å; A1429-N1432 CarbonylContact O-C 2.76Å; A1429-N1432 PolarHBondContact O-N 3.28Å; A1429-E1433 PolarHBondContact O-N 3.42Å |
| 1430 | A | 68.1 | Low | 60.2 | Low | 62 Ų | 62 | 97.6 Ų | 97.6 | 51% | 0.512 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -65.6 | -39.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q1426 E1427 N1432 E1433 | Q1426-A1430 VanDerWaalsContact O-CB 3.31Å; Q1426-A1430 WeakPolarHBondContact O-CB 3.17Å; Q1426-A1430 PolarHBondContact O-N 3.26Å; E1427-A1430 PolarHBondContact O-N 2.89Å; A1430-N1432 PolarHBondContact O-N 2.89Å; A1430-E1433 PolarHBondContact O-N 3.49Å |
| 1431 | A | 65.4 | Low | 57.5 | Low | 76 Ų | 76 | 104.5 Ų | 104.5 | 63% | 0.628 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -67.4 | -23.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | E1427 | E1427-A1431 VanDerWaalsContact O-CB 3.25Å; E1427-A1431 WeakPolarHBondContact O-CB 3.14Å; E1427-A1431 PolarHBondContact O-N 3.44Å |
| 1432 | N | 65.2 | Low | 55.2 | Low | 59 Ų | 59 | 109 Ų | 109 | 32% | 0.316 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -103.2 | -2.5 | 177.7 | -68.5 | -29 | 0 | 0 | 0 | 113.8 | W1428 A1429 A1430 G1434 I1435 | W1428-N1432 WeakPolarHBondContact CZ2-ND2 3.38Å; W1428-N1432 PolarHBondContact NE1-ND2 3.39Å; W1428-N1432 WeakPolarHBondContact O-CB 3.45Å; W1428-N1432 PolarHBondContact O-N 3.09Å; W1428-N1432 VanDerWaalsContact O-N 3.11Å; W1428-N1432 PolarHBondContact O-ND2 3.03Å; A1429-N1432 CarbonylContact O-C 2.76Å; A1429-N1432 PolarHBondContact O-N 3.28Å; A1430-N1432 PolarHBondContact O-N 2.89Å; N1432-G1434 PolarHBondContact O-N 2.75Å; N1432-G1434 VanDerWaalsContact O-N 3.08Å; N1432-I1435 PolarHBondContact O-N 3.25Å; N1432-I1435 VanDerWaalsContact O-N 3.12Å |
| 1433 | E | 45.9 | Very low | 52.9 | Low | 167 Ų | 167 | 107 Ų | 107 | 78% | 0.78 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.6 | 107.2 | 171.4 | -94.1 | -171.9 | 166.2 | 0 | 0 | 109 | A1429 A1430 | A1429-E1433 PolarHBondContact O-N 3.42Å; A1430-E1433 PolarHBondContact O-N 3.49Å |
| 1434 | G | 51.1 | Low | 50.5 | Low | 74 Ų | 74 | 112.4 Ų | 112.4 | 76% | 0.763 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 118.6 | -13.7 | -176 | 0 | 0 | 0 | 0 | 0 | 114.2 | N1432 V1436 | N1432-G1434 PolarHBondContact O-N 2.75Å; N1432-G1434 VanDerWaalsContact O-N 3.08Å; G1434-V1436 VanDerWaalsContact C-N 3.27Å; G1434-V1436 PolarHBondContact O-N 3.1Å |
| 1435 | I | 44 | Very low | 48.2 | Very low | 127 Ų | 127 | 118.3 Ų | 118.3 | 65% | 0.651 | 64% | 0.644 | S | S | * | * | trans | -93.5 | 63.5 | 169.8 | -48.1 | 177.3 | 0 | 0 | 0 | 108 | N1432 | N1432-I1435 PolarHBondContact O-N 3.25Å; N1432-I1435 VanDerWaalsContact O-N 3.12Å | ||
| 1436 | V | 32.9 | Very low | 46 | Very low | 133 Ų | 133 | 114 Ų | 114 | 81% | 0.806 | 64% | 0.642 | S | S | * | * | trans | -96.4 | 76.9 | 165.9 | -173.6 | 0 | 0 | 0 | 0 | 107.3 | G1434 | G1434-V1436 VanDerWaalsContact C-N 3.27Å; G1434-V1436 PolarHBondContact O-N 3.1Å | ||
| 1437 | E | 34.2 | Very low | 43.8 | Very low | 170 Ų | 170 | 114.1 Ų | 114.1 | 79% | 0.794 | 65% | 0.647 | S | S | * | * | trans | -97.2 | 123.4 | 148.3 | -85.3 | -169.5 | 164 | 0 | 0 | 107 | V1439 | E1437-V1439 PolarHBondContact O-N 3.1Å; E1437-V1439 VanDerWaalsContact O-N 3.08Å | ||
| 1438 | P | 32.6 | Very low | 41.7 | Very low | 112 Ų | 112 | 115.2 Ų | 115.2 | 73% | 0.727 | 65% | 0.653 | S | S | * | * | trans | -61.5 | 119.1 | 167.8 | 26 | -28.1 | 0 | 0 | 0 | 106.1 | A1440 | P1438-A1440 PolarHBondContact O-N 3.13Š| ||
| 1439 | V | 30.7 | Very low | 39.8 | Very low | 145 Ų | 145 | 116.3 Ų | 116.3 | 88% | 0.879 | 67% | 0.666 | S | S | * | * | trans | -61.4 | 88 | 167.4 | -179.3 | 0 | 0 | 0 | 0 | 106.1 | E1437 | E1437-V1439 PolarHBondContact O-N 3.1Å; E1437-V1439 VanDerWaalsContact O-N 3.08Å | ||
| 1440 | A | 29.6 | Very low | 37.7 | Very low | 64 Ų | 64 | 122.6 Ų | 122.6 | 53% | 0.529 | 69% | 0.685 | S | S | . | * | trans | -52.5 | 141.6 | 161.2 | 0 | 0 | 0 | 0 | 0 | 106.5 | P1438 V1442 | P1438-A1440 PolarHBondContact O-N 3.13Å; A1440-V1442 HydrophobicContact CB-CG2 4.13Å; A1440-V1442 PolarHBondContact O-N 2.96Å | ||
| 1441 | E | 27.5 | Very low | 35.8 | Very low | 193 Ų | 193 | 125.9 Ų | 125.9 | 90% | 0.902 | 69% | 0.69 | S | S | * | * | trans | -57.9 | 74.9 | 170.8 | -67.2 | 178.8 | 129.7 | 0 | 0 | 109.8 | N1443 | E1441-N1443 PolarHBondContact O-N 2.75Š| ||
| 1442 | V | 29 | Very low | 34.2 | Very low | 113 Ų | 113 | 127 Ų | 127 | 69% | 0.685 | 69% | 0.688 | S | S | * | * | trans | -92.3 | 97.6 | 174.5 | -179.8 | 0 | 0 | 0 | 0 | 106.3 | A1440 | A1440-V1442 HydrophobicContact CB-CG2 4.13Å; A1440-V1442 PolarHBondContact O-N 2.96Å | ||
| 1443 | N | 30.7 | Very low | 32.5 | Very low | 107 Ų | 107 | 128.2 Ų | 128.2 | 57% | 0.572 | 69% | 0.692 | S | S | * | * | trans | 62.8 | 91.9 | 154.9 | -59.6 | -18.8 | 0 | 0 | 0 | 116.5 | E1441 E1445 A1446 | E1441-N1443 PolarHBondContact O-N 2.75Å; N1443-E1445 PolarHBondContact O-N 2.94Å; N1443-A1446 PolarHBondContact O-N 2.92Å | ||
| 1444 | K | 29.2 | Very low | 31.8 | Very low | 177 Ų | 177 | 124.4 Ų | 124.4 | 77% | 0.77 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.4 | 4.5 | 155.7 | -77.7 | -179.5 | 174.2 | 171.9 | 0 | 114.9 | ||
| 1445 | E | 29.5 | Very low | 30.9 | Very low | 145 Ų | 145 | 125.6 Ų | 125.6 | 68% | 0.678 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.2 | -24.7 | 178.2 | -66.6 | -172.4 | 158.6 | 0 | 0 | 113.4 | N1443 | N1443-E1445 PolarHBondContact O-N 2.94Š|
| 1446 | A | 31.3 | Very low | 30.3 | Very low | 68 Ų | 68 | 126.9 Ų | 126.9 | 56% | 0.562 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -78.6 | -28.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | N1443 Q1448 | N1443-A1446 PolarHBondContact O-N 2.92Å; A1446-Q1448 VanDerWaalsContact C-N 3.34Å |
| 1447 | D | 29.4 | Very low | 30 | Very low | 126 Ų | 126 | 126.6 Ų | 126.6 | 67% | 0.674 | 65% | 0.653 | S | S | * | * | G | 310 helix | trans | -75.8 | -21.8 | 175.4 | -81.1 | -25.5 | 0 | 0 | 0 | 112.8 | L1449 K1450 | D1447-L1449 VanDerWaalsContact C-N 3.3Å; D1447-L1449 PolarHBondContact O-N 2.71Å; D1447-K1450 PolarHBondContact O-N 3.21Å |
| 1448 | Q | 28.5 | Very low | 29.7 | Very low | 142 Ų | 142 | 124.6 Ų | 124.6 | 66% | 0.664 | 65% | 0.652 | S | S | * | * | G | 310 helix | trans | -72.7 | -19.9 | 177.1 | -70.5 | -178.2 | 9.3 | 0 | 0 | 113.5 | A1446 | A1446-Q1448 VanDerWaalsContact C-N 3.34Š|
| 1449 | L | 28.9 | Very low | 29.4 | Very low | 137 Ų | 137 | 126 Ų | 126 | 72% | 0.717 | 65% | 0.653 | S | S | * | * | G | 310 helix | trans | -85.9 | -13 | 179.8 | -81.7 | 158 | 0 | 0 | 0 | 114 | D1447 T1452 | D1447-L1449 VanDerWaalsContact C-N 3.3Å; D1447-L1449 PolarHBondContact O-N 2.71Å; L1449-T1452 PolarHBondContact O-OG1 3.41Å |
| 1450 | K | 27.5 | Very low | 29.2 | Very low | 177 Ų | 177 | 126.8 Ų | 126.8 | 77% | 0.77 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -99.7 | -6.9 | -176.9 | -75.1 | -177 | -179.2 | 170.8 | 0 | 115.3 | D1447 T1452 | D1447-K1450 PolarHBondContact O-N 3.21Å; K1450-T1452 PolarHBondContact O-N 3.44Å |
| 1451 | E | 28 | Very low | 29 | Very low | 132 Ų | 132 | 135.3 Ų | 135.3 | 62% | 0.617 | 68% | 0.681 | S | S | * | * | trans | -80.2 | 4.2 | 176.5 | -71.6 | -167.9 | 145.6 | 0 | 0 | 114.3 | E1453 I1454 | E1451-E1453 PolarHBondContact O-N 3.09Å; E1451-I1454 PolarHBondContact O-N 2.95Å | ||
| 1452 | T | 31.7 | Very low | 29 | Very low | 98 Ų | 98 | 132.5 Ų | 132.5 | 60% | 0.601 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.9 | -0.9 | -174.3 | 44.5 | 0 | 0 | 0 | 0 | 116.7 | L1449 K1450 | L1449-T1452 PolarHBondContact O-OG1 3.41Å; K1450-T1452 PolarHBondContact O-N 3.44Å |
| 1453 | E | 30.5 | Very low | 29.1 | Very low | 86 Ų | 86 | 133.5 Ų | 133.5 | 40% | 0.402 | 67% | 0.669 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -116.3 | 7.2 | 178 | -79.6 | -165.1 | 150.6 | 0 | 0 | 115.4 | K1261 K1265 E1451 | K1261-E1453 IonicContact NZ-OE1 3.63Å; K1261-E1453 PolarHBondContact NZ-OE1 3.25Å; K1261-E1453 IonicContact NZ-OE2 3.28Å; K1265-E1453 IonicContact NZ-OE2 2.67Å; K1265-E1453 PolarHBondContact NZ-OE2 3.24Å; E1451-E1453 PolarHBondContact O-N 3.09Å |
| 1454 | I | 31.1 | Very low | 29 | Very low | 87 Ų | 87 | 134.9 Ų | 134.9 | 45% | 0.446 | 68% | 0.675 | S | S | . | * | trans | -109.8 | 90.4 | -177.2 | -53.5 | 160.6 | 0 | 0 | 0 | 110.3 | R1269 E1451 | R1269-I1454 VanDerWaalsContact NH1-CD1 3.29Å; E1451-I1454 PolarHBondContact O-N 2.95Å | ||
| 1455 | E | 31.4 | Very low | 28.9 | Very low | 98 Ų | 98 | 132.5 Ų | 132.5 | 46% | 0.458 | 67% | 0.669 | S | S | . | * | trans | -157.9 | 26.8 | 163.4 | -117 | 175.3 | -158.8 | 0 | 0 | 114.5 | R591 | R591-E1455 IonicContact CZ-OE1 3.7Å; R591-E1455 IonicContact NH1-OE1 3.88Å; R591-E1455 PolarHBondContact NH1-OE1 3.09Å | ||
| 1456 | F | 31.3 | Very low | 28.9 | Very low | 154 Ų | 154 | 131.7 Ų | 131.7 | 68% | 0.675 | 67% | 0.669 | S | S | * | * | trans | -99.8 | 5.2 | 174.3 | -84.5 | -78 | 0 | 0 | 0 | 114.8 | ||||
| 1457 | E | 28 | Very low | 28.8 | Very low | 128 Ų | 128 | 135.9 Ų | 135.9 | 60% | 0.598 | 68% | 0.676 | S | S | * | * | trans | -83.4 | -7.4 | -177.6 | -100.9 | -178.4 | 164.5 | 0 | 0 | 115.5 | R1270 L1459 | R1270-E1457 IonicContact NH2-OE1 3.21Å; R1270-E1457 PolarHBondContact NH2-OE1 2.85Å; E1457-L1459 PolarHBondContact O-N 3.26Å; E1457-L1459 VanDerWaalsContact O-N 3.07Å | ||
| 1458 | V | 27.1 | Very low | 28.7 | Very low | 127 Ų | 127 | 136.6 Ų | 136.6 | 77% | 0.77 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.5 | 31 | 178.3 | -159.5 | 0 | 0 | 0 | 0 | 113.3 | ||
| 1459 | L | 27.3 | Very low | 28.7 | Very low | 143 Ų | 143 | 136.2 Ų | 136.2 | 75% | 0.749 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.6 | 0.3 | 170 | -87.1 | 167.1 | 0 | 0 | 0 | 113.8 | E1457 | E1457-L1459 PolarHBondContact O-N 3.26Å; E1457-L1459 VanDerWaalsContact O-N 3.07Å |
| 1460 | N | 26.6 | Very low | 28.7 | Very low | 161 Ų | 161 | 136.2 Ų | 136.2 | 86% | 0.861 | 67% | 0.674 | S | S | * | * | trans | -114.5 | 11.4 | 175 | -85.6 | -9.5 | 0 | 0 | 0 | 114.4 | ||||
| 1461 | E | 24.1 | Very low | 28.8 | Very low | 243 Ų | 243 | 132.5 Ų | 132.5 | 100% | 1.136 | 67% | 0.665 | S | S | * | * | trans | -118.8 | 0 | 155.6 | -72.4 | -173.1 | 167.3 | 0 | 0 | 108.5 |
Retrieved 1,461 of 1,461 residues in 4449.8 ms
(Link to these results)