| 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 | 48.1 | Very low | 52.4 | Low | 178 Ų | 178 | 91.6 Ų | 91.6 | 88% | 0.877 | 49% | 0.49 | S | S | * | . | 0 | 140.6 | 0 | -70.7 | -178.4 | -157.6 | 0 | 0 | 108 | Q5 V6 | M1-Q5 HydrophobicContact CB-CB 4.37Å; M1-V6 HydrophobicContact CB-CG2 4.27Å | |||
| 2 | S | 50.9 | Low | 52.9 | Low | 64 Ų | 64 | 85.3 Ų | 85.3 | 45% | 0.448 | 46% | 0.46 | S | S | . | . | trans | -73.5 | 156.2 | 174.5 | 74.7 | 0 | 0 | 0 | 0 | 110.4 | A4 Q5 V6 | S2-A4 PolarHBondContact O-N 3.08Å; S2-A4 VanDerWaalsContact O-N 3.16Å; S2-Q5 WeakPolarHBondContact O-CB 3.49Å; S2-Q5 PolarHBondContact O-N 3.19Å; S2-V6 PolarHBondContact O-N 2.95Å | ||
| 3 | I | 52.7 | Low | 54.3 | Low | 138 Ų | 138 | 87.4 Ų | 87.4 | 71% | 0.708 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -52.9 | -37.4 | 177.4 | -66.7 | 170.9 | 0 | 0 | 0 | 111.3 | Q5 V6 I7 | I3-Q5 VanDerWaalsContact C-N 3.34Å; I3-Q5 PolarHBondContact O-N 3.05Å; I3-V6 PolarHBondContact O-N 3.1Å; I3-I7 HydrophobicContact CG2-CD1 3.84Å; I3-I7 HydrophobicContact CG2-CG1 4.44Å; I3-I7 WeakPolarHBondContact O-CG1 3.35Å; I3-I7 PolarHBondContact O-N 3.16Å; I3-I7 VanDerWaalsContact O-N 3.08Å |
| 4 | A | 53.5 | Low | 56.4 | Low | 63 Ų | 63 | 85.9 Ų | 85.9 | 52% | 0.521 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -61.4 | -39.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | S2 V8 | S2-A4 PolarHBondContact O-N 3.08Å; S2-A4 VanDerWaalsContact O-N 3.16Å; A4-V8 VanDerWaalsContact O-CG2 3.26Å; A4-V8 WeakPolarHBondContact O-CG2 3.36Å; A4-V8 PolarHBondContact O-N 3.49Å; A4-V8 VanDerWaalsContact O-N 3.1Å |
| 5 | Q | 49.5 | Very low | 58.7 | Low | 113 Ų | 113 | 80.2 Ų | 80.2 | 53% | 0.528 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -69.1 | -36.3 | 177.4 | -71.2 | 176.8 | -30.7 | 0 | 0 | 112.4 | M1 S2 I3 K9 | M1-Q5 HydrophobicContact CB-CB 4.37Å; S2-Q5 WeakPolarHBondContact O-CB 3.49Å; S2-Q5 PolarHBondContact O-N 3.19Å; I3-Q5 VanDerWaalsContact C-N 3.34Å; I3-Q5 PolarHBondContact O-N 3.05Å; Q5-K9 WeakPolarHBondContact O-CB 3.32Å; Q5-K9 PolarHBondContact O-N 3.07Å; Q5-K9 VanDerWaalsContact O-N 3.16Å |
| 6 | V | 46.4 | Very low | 60.7 | Low | 62 Ų | 62 | 80.3 Ų | 80.3 | 38% | 0.376 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -63.6 | -47.8 | 176.8 | 179 | 0 | 0 | 0 | 0 | 110.2 | M1 S2 I3 V8 K9 E10 | M1-V6 HydrophobicContact CB-CG2 4.27Å; S2-V6 PolarHBondContact O-N 2.95Å; I3-V6 PolarHBondContact O-N 3.1Å; V6-V8 PolarHBondContact O-N 2.66Å; V6-K9 PolarHBondContact O-N 3.01Å; V6-K9 VanDerWaalsContact O-N 3.14Å; V6-E10 PolarHBondContact O-N 3.31Å |
| 7 | I | 53.8 | Low | 62.6 | Low | 66 Ų | 66 | 81.1 Ų | 81.1 | 34% | 0.338 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -61.1 | -44.1 | 178.6 | -65.5 | 169.2 | 0 | 0 | 0 | 111.3 | I3 K9 E10 V11 | I3-I7 HydrophobicContact CG2-CD1 3.84Å; I3-I7 HydrophobicContact CG2-CG1 4.44Å; I3-I7 WeakPolarHBondContact O-CG1 3.35Å; I3-I7 PolarHBondContact O-N 3.16Å; I3-I7 VanDerWaalsContact O-N 3.08Å; I7-K9 PolarHBondContact O-N 3.41Å; I7-E10 PolarHBondContact O-N 3.36Å; I7-V11 HydrophobicContact CG2-CG2 4.43Å; I7-V11 WeakPolarHBondContact O-CB 3.39Å; I7-V11 VanDerWaalsContact O-CG2 3.24Å; I7-V11 WeakPolarHBondContact O-CG2 3.47Å; I7-V11 PolarHBondContact O-N 3.04Å; I7-V11 VanDerWaalsContact O-N 3.14Å |
| 8 | V | 56.1 | Low | 64.3 | Low | 79 Ų | 79 | 77.8 Ų | 77.8 | 48% | 0.479 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -61.2 | -34.3 | 178.4 | 169.6 | 0 | 0 | 0 | 0 | 111.8 | A4 V6 A12 S29 | A4-V8 VanDerWaalsContact O-CG2 3.26Å; A4-V8 WeakPolarHBondContact O-CG2 3.36Å; A4-V8 PolarHBondContact O-N 3.49Å; A4-V8 VanDerWaalsContact O-N 3.1Å; V6-V8 PolarHBondContact O-N 2.66Å; V8-A12 PolarHBondContact O-N 3.24Å; V8-S29 PolarHBondContact O-OG 3.31Å |
| 9 | K | 54.5 | Low | 65.9 | Low | 125 Ų | 125 | 75.8 Ų | 75.8 | 54% | 0.543 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -76.2 | -41.4 | -179.1 | -158.6 | 179.9 | -177.2 | -174.6 | 0 | 112.6 | Q5 V6 I7 A12 Q13 | Q5-K9 WeakPolarHBondContact O-CB 3.32Å; Q5-K9 PolarHBondContact O-N 3.07Å; Q5-K9 VanDerWaalsContact O-N 3.16Å; V6-K9 PolarHBondContact O-N 3.01Å; V6-K9 VanDerWaalsContact O-N 3.14Å; I7-K9 PolarHBondContact O-N 3.41Å; K9-A12 PolarHBondContact O-N 3.2Å; K9-Q13 WeakPolarHBondContact O-CG 3.48Å; K9-Q13 PolarHBondContact O-N 3.27Å |
| 10 | E | 55.4 | Low | 67.4 | Low | 112 Ų | 112 | 72.2 Ų | 72.2 | 52% | 0.523 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -64.6 | -40.2 | 176.4 | -74.4 | 177.3 | 168.2 | 0 | 0 | 112.1 | V6 I7 Q13 Q14 | V6-E10 PolarHBondContact O-N 3.31Å; I7-E10 PolarHBondContact O-N 3.36Å; E10-Q13 WeakPolarHBondContact O-CB 3.46Å; E10-Q13 PolarHBondContact O-N 3.06Å; E10-Q14 PolarHBondContact O-N 3.33Å |
| 11 | V | 55.9 | Low | 68.6 | Low | 8 Ų | 8 | 70.5 Ų | 70.5 | 5% | 0.048 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -60.4 | -46.4 | 176.7 | 162.2 | 0 | 0 | 0 | 0 | 112 | I7 Q13 Q14 S29 I33 K34 | I7-V11 HydrophobicContact CG2-CG2 4.43Å; I7-V11 WeakPolarHBondContact O-CB 3.39Å; I7-V11 VanDerWaalsContact O-CG2 3.24Å; I7-V11 WeakPolarHBondContact O-CG2 3.47Å; I7-V11 PolarHBondContact O-N 3.04Å; I7-V11 VanDerWaalsContact O-N 3.14Å; V11-Q13 PolarHBondContact O-N 3.44Å; V11-Q14 PolarHBondContact O-N 3.07Å; V11-Q14 VanDerWaalsContact O-N 3.13Å; V11-S29 WeakPolarHBondContact CG1-OG 3.33Å; V11-I33 WeakPolarHBondContact CG1-O 3.38Å; V11-K34 VanDerWaalsContact CG1-O 3.24Å; V11-K34 WeakPolarHBondContact CG1-O 3.35Å; V11-K34 HydrophobicContact CG2-CB 3.82Å; V11-K34 HydrophobicContact CG2-CG 4.12Å |
| 12 | A | 58.7 | Low | 70.7 | Confident | 16 Ų | 16 | 65.8 Ų | 65.8 | 13% | 0.132 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -58.9 | -38.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | V8 K9 Q14 E16 | V8-A12 PolarHBondContact O-N 3.24Å; K9-A12 PolarHBondContact O-N 3.2Å; A12-Q14 VanDerWaalsContact C-N 3.3Å; A12-Q14 PolarHBondContact O-N 3.06Å; A12-E16 WeakPolarHBondContact O-CB 3.4Å; A12-E16 WeakPolarHBondContact O-CG 3.49Å; A12-E16 PolarHBondContact O-N 3.46Å |
| 13 | Q | 70.8 | Confident | 72.6 | Confident | 112 Ų | 112 | 66.8 Ų | 66.8 | 52% | 0.523 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -63.8 | -31.9 | 179 | -70.1 | 175.6 | -22.9 | 0 | 0 | 113.4 | K9 E10 V11 S17 | K9-Q13 WeakPolarHBondContact O-CG 3.48Å; K9-Q13 PolarHBondContact O-N 3.27Å; E10-Q13 WeakPolarHBondContact O-CB 3.46Å; E10-Q13 PolarHBondContact O-N 3.06Å; V11-Q13 PolarHBondContact O-N 3.44Å; Q13-S17 WeakPolarHBondContact O-CB 3.47Å; Q13-S17 PolarHBondContact O-N 3.32Å |
| 14 | Q | 83.3 | Confident | 74.5 | Confident | 67 Ų | 67 | 60.2 Ų | 60.2 | 31% | 0.313 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -73.4 | -44.7 | -179.2 | -66.4 | -175.1 | 8.5 | 0 | 0 | 112.3 | E10 V11 A12 E16 S17 D35 P36 | E10-Q14 PolarHBondContact O-N 3.33Å; V11-Q14 PolarHBondContact O-N 3.07Å; V11-Q14 VanDerWaalsContact O-N 3.13Å; A12-Q14 VanDerWaalsContact C-N 3.3Å; A12-Q14 PolarHBondContact O-N 3.06Å; Q14-E16 VanDerWaalsContact C-N 3.35Å; Q14-S17 WeakPolarHBondContact O-CB 3.34Å; Q14-S17 PolarHBondContact O-N 2.96Å; Q14-S17 PolarHBondContact O-OG 3.4Å; Q14-D35 VanDerWaalsContact CD-OD1 3.26Å; Q14-D35 PolarHBondContact NE2-OD1 3.27Å; Q14-D35 VanDerWaalsContact OE1-CA 3.29Å; Q14-D35 PolarHBondContact OE1-OD1 2.7Å; Q14-P36 HydrophobicContact CB-CG 4.27Å |
| 15 | F | 90.7 | Very high | 76.3 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -68.6 | -35.5 | 174.2 | -80.1 | -83.2 | 0 | 0 | 0 | 112.1 | S17 L18 I20 S25 C28 I33 P36 I44 L69 | F15-S17 VanDerWaalsContact C-N 3.26Å; F15-S17 PolarHBondContact O-N 3.23Å; F15-L18 HydrophobicContact CD1-CD1 4.37Å; F15-L18 WeakPolarHBondContact O-CB 3.36Å; F15-L18 PolarHBondContact O-N 2.99Å; F15-I20 HydrophobicContact CB-CB 4.27Å; F15-I20 WeakPolarHBondContact O-CB 3.22Å; F15-I20 PolarHBondContact O-N 2.85Å; F15-I20 VanDerWaalsContact O-N 3.17Å; F15-S25 VanDerWaalsContact CB-OG 3.32Å; F15-S25 WeakPolarHBondContact CB-OG 3.34Å; F15-C28 HydrophobicContact CD2-CB 4.38Å; F15-C28 HydrophobicContact CE2-CB 4.42Å; F15-I33 HydrophobicContact CE2-CG2 3.73Å; F15-I33 HydrophobicContact CZ-CG2 3.65Å; F15-P36 HydrophobicContact CD1-CB 4.49Å; F15-P36 HydrophobicContact CE1-CB 3.97Å; F15-P36 HydrophobicContact CE2-CB 4.39Å; F15-P36 HydrophobicContact CZ-CB 3.91Å; F15-I44 HydrophobicContact CD1-CD1 4.47Å; F15-I44 HydrophobicContact CE1-CD1 4.3Å; F15-L69 HydrophobicContact CD1-CD1 3.8Å; F15-L69 HydrophobicContact CE1-CD1 3.55Å |
| 16 | E | 91.2 | Very high | 78.2 | Confident | 81 Ų | 81 | 53.4 Ų | 53.4 | 38% | 0.379 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -58.6 | -37.6 | 171.2 | -74.8 | 172.3 | -154.1 | 0 | 0 | 112.5 | A12 Q14 L18 G19 I20 S22 S25 | A12-E16 WeakPolarHBondContact O-CB 3.4Å; A12-E16 WeakPolarHBondContact O-CG 3.49Å; A12-E16 PolarHBondContact O-N 3.46Å; Q14-E16 VanDerWaalsContact C-N 3.35Å; E16-L18 PolarHBondContact O-N 3.16Å; E16-G19 WeakPolarHBondContact O-CA 3.36Å; E16-G19 PolarHBondContact O-N 3.18Å; E16-I20 VanDerWaalsContact CA-O 3.25Å; E16-I20 WeakPolarHBondContact CA-O 3.41Å; E16-I20 WeakPolarHBondContact CG-O 3.18Å; E16-S22 WeakPolarHBondContact OE1-CA 3.42Å; E16-S22 VanDerWaalsContact OE1-CB 3.28Å; E16-S22 WeakPolarHBondContact OE1-CB 3.31Å; E16-S25 PolarHBondContact N-OG 3.31Å |
| 17 | S | 92 | Very high | 80.1 | Confident | 94 Ų | 94 | 51.4 Ų | 51.4 | 66% | 0.657 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -64.4 | -20.8 | 175.5 | 81.2 | 0 | 0 | 0 | 0 | 113.8 | Q13 Q14 F15 G19 | Q13-S17 WeakPolarHBondContact O-CB 3.47Å; Q13-S17 PolarHBondContact O-N 3.32Å; Q14-S17 WeakPolarHBondContact O-CB 3.34Å; Q14-S17 PolarHBondContact O-N 2.96Å; Q14-S17 PolarHBondContact O-OG 3.4Å; F15-S17 VanDerWaalsContact C-N 3.26Å; F15-S17 PolarHBondContact O-N 3.23Å; S17-G19 VanDerWaalsContact C-N 3.28Å |
| 18 | L | 94.3 | Very high | 81.7 | Confident | 22 Ų | 22 | 48.2 Ų | 48.2 | 12% | 0.115 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -0.1 | 173.6 | -54.3 | -178 | 0 | 0 | 0 | 112.9 | F15 E16 P36 A41 I44 P45 | F15-L18 HydrophobicContact CD1-CD1 4.37Å; F15-L18 WeakPolarHBondContact O-CB 3.36Å; F15-L18 PolarHBondContact O-N 2.99Å; E16-L18 PolarHBondContact O-N 3.16Å; L18-P36 HydrophobicContact CD1-CB 3.64Å; L18-P36 HydrophobicContact CD1-CG 3.96Å; L18-A41 HydrophobicContact CD2-CB 4.25Å; L18-I44 HydrophobicContact CB-CG2 4.13Å; L18-I44 HydrophobicContact CD1-CD1 4.13Å; L18-P45 HydrophobicContact CB-CG 4.23Å; L18-P45 HydrophobicContact CD2-CG 4.21Å |
| 19 | G | 94.3 | Very high | 83 | Confident | 41 Ų | 41 | 45.3 Ų | 45.3 | 42% | 0.423 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.2 | 9.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | E16 S17 Q73 | E16-G19 WeakPolarHBondContact O-CA 3.36Å; E16-G19 PolarHBondContact O-N 3.18Å; S17-G19 VanDerWaalsContact C-N 3.28Å; G19-Q73 PolarHBondContact O-NE2 2.84Å |
| 20 | I | 95.1 | Very high | 84.3 | Confident | 3 Ų | 3 | 43.5 Ų | 43.5 | 2% | 0.015 | 27% | 0.266 | C | S | . | . | trans | -80.2 | 129.3 | 175.5 | -59.6 | -64.7 | 0 | 0 | 0 | 110.4 | F15 E16 L24 S25 I44 L48 L69 Q73 | F15-I20 HydrophobicContact CB-CB 4.27Å; F15-I20 WeakPolarHBondContact O-CB 3.22Å; F15-I20 PolarHBondContact O-N 2.85Å; F15-I20 VanDerWaalsContact O-N 3.17Å; E16-I20 VanDerWaalsContact CA-O 3.25Å; E16-I20 WeakPolarHBondContact CA-O 3.41Å; E16-I20 WeakPolarHBondContact CG-O 3.18Å; I20-L24 HydrophobicContact CG2-CB 3.78Å; I20-L24 HydrophobicContact CG2-CD2 3.75Å; I20-L24 HydrophobicContact CG2-CG 3.75Å; I20-S25 WeakPolarHBondContact CG2-OG 3.24Å; I20-S25 PolarHBondContact O-OG 3.02Å; I20-I44 HydrophobicContact CD1-CG2 3.71Å; I20-I44 HydrophobicContact CG1-CG2 3.9Å; I20-L48 HydrophobicContact CD1-CD1 4.13Å; I20-L69 HydrophobicContact CD1-CB 3.96Å; I20-Q73 VanDerWaalsContact CA-OE1 3.26Å | ||
| 21 | S | 93.2 | Very high | 85.5 | Confident | 36 Ų | 36 | 41.7 Ų | 41.7 | 25% | 0.252 | 26% | 0.262 | S | S | . | . | trans | -58.1 | 149 | 178.7 | 58.5 | 0 | 0 | 0 | 0 | 112.8 | W23 L24 S25 Q73 | S21-W23 VanDerWaalsContact C-N 3.29Å; S21-W23 PolarHBondContact O-N 3.21Å; S21-W23 VanDerWaalsContact OG-CD1 3.28Å; S21-W23 PolarHBondContact OG-NE1 3.2Å; S21-L24 PolarHBondContact O-N 3.08Å; S21-S25 PolarHBondContact O-N 3.23Å; S21-S25 PolarHBondContact O-OG 3.39Å; S21-Q73 PolarHBondContact OG-OE1 2.96Å | ||
| 22 | S | 92.1 | Very high | 86.7 | Confident | 79 Ų | 79 | 43.9 Ų | 43.9 | 55% | 0.552 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -58.4 | -36.1 | -173.9 | 56.6 | 0 | 0 | 0 | 0 | 114.1 | E16 G26 | E16-S22 WeakPolarHBondContact OE1-CA 3.42Å; E16-S22 VanDerWaalsContact OE1-CB 3.28Å; E16-S22 WeakPolarHBondContact OE1-CB 3.31Å; S22-G26 PolarHBondContact O-N 3.41Å |
| 23 | W | 91.8 | Very high | 87.7 | Confident | 85 Ų | 85 | 44.5 Ų | 44.5 | 32% | 0.322 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -66.3 | -40 | 177.9 | 74.3 | -95.9 | 0 | 0 | 0 | 111.7 | S21 G26 C27 I72 L108 | S21-W23 VanDerWaalsContact C-N 3.29Å; S21-W23 PolarHBondContact O-N 3.21Å; S21-W23 VanDerWaalsContact OG-CD1 3.28Å; S21-W23 PolarHBondContact OG-NE1 3.2Å; W23-G26 PolarHBondContact O-N 3.06Å; W23-C27 PolarHBondContact O-N 2.95Å; W23-C27 VanDerWaalsContact O-N 3.13Å; W23-C27 PolarHBondContact O-SG 3.17Å; W23-I72 HydrophobicContact CH2-CG2 3.81Å; W23-L108 HydrophobicContact CH2-CD1 3.45Å; W23-L108 VanDerWaalsContact CH2-CD1 3.45Å; W23-L108 HydrophobicContact CH2-CD2 3.98Å; W23-L108 HydrophobicContact CH2-CG 3.59Å; W23-L108 HydrophobicContact CZ2-CD1 3.91Å; W23-L108 HydrophobicContact CZ2-CD2 4.06Å; W23-L108 HydrophobicContact CZ2-CG 4.15Å; W23-L108 HydrophobicContact CZ3-CD1 4.38Å; W23-L108 HydrophobicContact CZ3-CG 4.1Å |
| 24 | L | 92.4 | Very high | 88 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -76.1 | -38.8 | -179.8 | -177.8 | 58.3 | 0 | 0 | 0 | 110.9 | I20 S21 G26 C27 C28 L69 I72 Q73 | I20-L24 HydrophobicContact CG2-CB 3.78Å; I20-L24 HydrophobicContact CG2-CD2 3.75Å; I20-L24 HydrophobicContact CG2-CG 3.75Å; S21-L24 PolarHBondContact O-N 3.08Å; L24-G26 VanDerWaalsContact C-N 3.27Å; L24-G26 PolarHBondContact O-N 3.23Å; L24-C27 VanDerWaalsContact O-CB 3.3Å; L24-C27 WeakPolarHBondContact O-CB 3.44Å; L24-C27 PolarHBondContact O-N 3.07Å; L24-C28 PolarHBondContact O-N 3.29Å; L24-C28 VanDerWaalsContact O-N 3.11Å; L24-L69 HydrophobicContact CD1-CD2 3.94Å; L24-L69 HydrophobicContact CD2-CB 4.41Å; L24-L69 HydrophobicContact CD2-CD2 4.13Å; L24-L69 WeakPolarHBondContact CD2-O 3.28Å; L24-L69 HydrophobicContact CG-CD2 3.92Å; L24-I72 HydrophobicContact CD1-CG2 3.98Å; L24-I72 HydrophobicContact CD2-CB 4.45Å; L24-I72 HydrophobicContact CD2-CG2 4.27Å; L24-Q73 HydrophobicContact CD2-CB 4.01Å |
| 25 | S | 91.2 | Very high | 88.1 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -59.1 | -39 | 169.3 | -64.1 | 0 | 0 | 0 | 0 | 111.6 | F15 E16 I20 S21 C27 C28 S29 | F15-S25 VanDerWaalsContact CB-OG 3.32Å; F15-S25 WeakPolarHBondContact CB-OG 3.34Å; E16-S25 PolarHBondContact N-OG 3.31Å; I20-S25 WeakPolarHBondContact CG2-OG 3.24Å; I20-S25 PolarHBondContact O-OG 3.02Å; S21-S25 PolarHBondContact O-N 3.23Å; S21-S25 PolarHBondContact O-OG 3.39Å; S25-C27 VanDerWaalsContact C-N 3.31Å; S25-C27 PolarHBondContact O-N 3.43Å; S25-C28 WeakPolarHBondContact O-CB 3.34Å; S25-C28 PolarHBondContact O-N 3.48Å; S25-S29 PolarHBondContact O-N 3.32Å; S25-S29 VanDerWaalsContact O-N 3.16Å; S25-S29 PolarHBondContact O-OG 2.89Å |
| 26 | G | 88.3 | Confident | 88 | Confident | 33 Ų | 33 | 47.6 Ų | 47.6 | 34% | 0.34 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -62 | -35.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | S22 W23 L24 S29 A30 | S22-G26 PolarHBondContact O-N 3.41Å; W23-G26 PolarHBondContact O-N 3.06Å; L24-G26 VanDerWaalsContact C-N 3.27Å; L24-G26 PolarHBondContact O-N 3.23Å; G26-S29 PolarHBondContact O-N 2.74Å; G26-A30 PolarHBondContact O-N 3.49Å |
| 27 | C | 87.9 | Confident | 87.9 | Confident | 20 Ų | 20 | 45.6 Ų | 45.6 | 14% | 0.135 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65 | -40.7 | 173.6 | -62.1 | 0 | 0 | 0 | 0 | 111.6 | W23 L24 S25 S29 A30 V31 L104 | W23-C27 PolarHBondContact O-N 2.95Å; W23-C27 VanDerWaalsContact O-N 3.13Å; W23-C27 PolarHBondContact O-SG 3.17Å; L24-C27 VanDerWaalsContact O-CB 3.3Å; L24-C27 WeakPolarHBondContact O-CB 3.44Å; L24-C27 PolarHBondContact O-N 3.07Å; S25-C27 VanDerWaalsContact C-N 3.31Å; S25-C27 PolarHBondContact O-N 3.43Å; C27-S29 PolarHBondContact O-N 3.18Å; C27-A30 PolarHBondContact O-N 3.18Å; C27-V31 WeakPolarHBondContact O-CG2 3.41Å; C27-V31 PolarHBondContact O-N 3.43Å; C27-V31 VanDerWaalsContact O-N 3.1Å; C27-L104 HydrophobicContact CB-CD2 4.27Å |
| 28 | C | 86.6 | Confident | 87.8 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -56.3 | -48.3 | 173.5 | -66.7 | 0 | 0 | 0 | 0 | 111.6 | F15 L24 S25 A30 V31 G32 I33 L69 | F15-C28 HydrophobicContact CD2-CB 4.38Å; F15-C28 HydrophobicContact CE2-CB 4.42Å; L24-C28 PolarHBondContact O-N 3.29Å; L24-C28 VanDerWaalsContact O-N 3.11Å; S25-C28 WeakPolarHBondContact O-CB 3.34Å; S25-C28 PolarHBondContact O-N 3.48Å; C28-A30 VanDerWaalsContact C-N 3.32Å; C28-A30 PolarHBondContact O-N 3.15Å; C28-V31 VanDerWaalsContact O-CG2 3.29Å; C28-V31 WeakPolarHBondContact O-CG2 3.28Å; C28-V31 PolarHBondContact O-N 3.2Å; C28-G32 PolarHBondContact O-N 2.96Å; C28-I33 HydrophobicContact CB-CB 4.11Å; C28-I33 HydrophobicContact CB-CD1 4.34Å; C28-I33 HydrophobicContact CB-CG2 4.44Å; C28-I33 WeakPolarHBondContact O-CB 3.49Å; C28-I33 PolarHBondContact O-N 3.14Å; C28-L69 WeakPolarHBondContact SG-CD2 3.47Å |
| 29 | S | 83.9 | Confident | 87.6 | Confident | 17 Ų | 17 | 43.5 Ų | 43.5 | 12% | 0.119 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -59.5 | -42 | 176.5 | -59.1 | 0 | 0 | 0 | 0 | 112.2 | V8 V11 S25 G26 C27 V31 G32 | V8-S29 PolarHBondContact O-OG 3.31Å; V11-S29 WeakPolarHBondContact CG1-OG 3.33Å; S25-S29 PolarHBondContact O-N 3.32Å; S25-S29 VanDerWaalsContact O-N 3.16Å; S25-S29 PolarHBondContact O-OG 2.89Å; G26-S29 PolarHBondContact O-N 2.74Å; C27-S29 PolarHBondContact O-N 3.18Å; S29-V31 VanDerWaalsContact C-N 3.32Å; S29-V31 PolarHBondContact O-N 3.4Å; S29-G32 PolarHBondContact O-N 2.97Å |
| 30 | A | 82.2 | Confident | 87.6 | Confident | 88 Ų | 88 | 41.7 Ų | 41.7 | 73% | 0.727 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -65.4 | -33.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113 | G26 C27 C28 G32 | G26-A30 PolarHBondContact O-N 3.49Å; C27-A30 PolarHBondContact O-N 3.18Å; C28-A30 VanDerWaalsContact C-N 3.32Å; C28-A30 PolarHBondContact O-N 3.15Å; A30-G32 VanDerWaalsContact C-N 3.29Å |
| 31 | V | 80.4 | Confident | 87.6 | Confident | 73 Ų | 73 | 43.1 Ų | 43.1 | 44% | 0.442 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | 6 | 174 | -57.4 | 0 | 0 | 0 | 0 | 113.3 | C27 C28 S29 I33 A103 L104 | C27-V31 WeakPolarHBondContact O-CG2 3.41Å; C27-V31 PolarHBondContact O-N 3.43Å; C27-V31 VanDerWaalsContact O-N 3.1Å; C28-V31 VanDerWaalsContact O-CG2 3.29Å; C28-V31 WeakPolarHBondContact O-CG2 3.28Å; C28-V31 PolarHBondContact O-N 3.2Å; S29-V31 VanDerWaalsContact C-N 3.32Å; S29-V31 PolarHBondContact O-N 3.4Å; V31-I33 HydrophobicContact CG2-CD1 3.39Å; V31-I33 HydrophobicContact CG2-CG1 3.84Å; V31-A103 HydrophobicContact CG1-CB 4.45Å; V31-L104 HydrophobicContact CG2-CD2 4.22Å |
| 32 | G | 79.8 | Confident | 87.7 | Confident | 55 Ų | 55 | 44.3 Ų | 44.3 | 57% | 0.567 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82 | 14.6 | 174 | 0 | 0 | 0 | 0 | 0 | 115.3 | C28 S29 A30 | C28-G32 PolarHBondContact O-N 2.96Å; S29-G32 PolarHBondContact O-N 2.97Å; A30-G32 VanDerWaalsContact C-N 3.29Å |
| 33 | I | 81.2 | Confident | 87.9 | Confident | 29 Ų | 29 | 40.5 Ų | 40.5 | 15% | 0.149 | 25% | 0.254 | C | S | . | . | trans | -78.4 | 122.1 | 171.5 | -60.4 | 156.8 | 0 | 0 | 0 | 107.4 | V11 F15 C28 V31 L65 | V11-I33 WeakPolarHBondContact CG1-O 3.38Å; F15-I33 HydrophobicContact CE2-CG2 3.73Å; F15-I33 HydrophobicContact CZ-CG2 3.65Å; C28-I33 HydrophobicContact CB-CB 4.11Å; C28-I33 HydrophobicContact CB-CD1 4.34Å; C28-I33 HydrophobicContact CB-CG2 4.44Å; C28-I33 WeakPolarHBondContact O-CB 3.49Å; C28-I33 PolarHBondContact O-N 3.14Å; V31-I33 HydrophobicContact CG2-CD1 3.39Å; V31-I33 HydrophobicContact CG2-CG1 3.84Å; I33-L65 HydrophobicContact CD1-CD1 3.37Å; I33-L65 HydrophobicContact CD1-CD2 3.84Å; I33-L65 HydrophobicContact CD1-CG 4.25Å; I33-L65 HydrophobicContact CG1-CD1 3.88Å; I33-L65 HydrophobicContact CG2-CD1 4.17Å | ||
| 34 | K | 76 | Confident | 88.2 | Confident | 119 Ų | 119 | 36.5 Ų | 36.5 | 52% | 0.517 | 24% | 0.239 | S | C | . | . | trans | -100.9 | -76 | -175.1 | -63.6 | -173.8 | 179.9 | -174.9 | 0 | 112.6 | V11 | V11-K34 VanDerWaalsContact CG1-O 3.24Å; V11-K34 WeakPolarHBondContact CG1-O 3.35Å; V11-K34 HydrophobicContact CG2-CB 3.82Å; V11-K34 HydrophobicContact CG2-CG 4.12Å | ||
| 35 | D | 84.8 | Confident | 88.4 | Confident | 96 Ų | 96 | 38.5 Ų | 38.5 | 51% | 0.513 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -104.7 | 140.6 | -175.2 | -49.1 | -75.9 | 0 | 0 | 0 | 110.1 | Q14 T37 | Q14-D35 VanDerWaalsContact CD-OD1 3.26Å; Q14-D35 PolarHBondContact NE2-OD1 3.27Å; Q14-D35 VanDerWaalsContact OE1-CA 3.29Å; Q14-D35 PolarHBondContact OE1-OD1 2.7Å; D35-T37 PolarHBondContact O-N 3.28Å |
| 36 | P | 89.6 | Confident | 88.7 | Confident | 28 Ų | 28 | 40.8 Ų | 40.8 | 18% | 0.182 | 26% | 0.263 | C | S | . | . | trans | -66.3 | 129.2 | 174.8 | 27.5 | -28.4 | 0 | 0 | 0 | 109.2 | Q14 F15 L18 Q40 | Q14-P36 HydrophobicContact CB-CG 4.27Å; F15-P36 HydrophobicContact CD1-CB 4.49Å; F15-P36 HydrophobicContact CE1-CB 3.97Å; F15-P36 HydrophobicContact CE2-CB 4.39Å; F15-P36 HydrophobicContact CZ-CB 3.91Å; L18-P36 HydrophobicContact CD1-CB 3.64Å; L18-P36 HydrophobicContact CD1-CG 3.96Å; P36-Q40 VanDerWaalsContact CA-OE1 3.27Å; P36-Q40 HydrophobicContact CB-CB 4.09Å | ||
| 37 | T | 89.2 | Confident | 89.2 | Confident | 39 Ų | 39 | 39.2 Ų | 39.2 | 24% | 0.239 | 25% | 0.247 | C | C | . | . | trans | -65.5 | 160.8 | 173.5 | 59.5 | 0 | 0 | 0 | 0 | 110.9 | D35 V39 Q40 A41 S61 | D35-T37 PolarHBondContact O-N 3.28Å; T37-V39 PolarHBondContact O-N 3.28Å; T37-V39 VanDerWaalsContact O-N 3.15Å; T37-V39 WeakPolarHBondContact OG1-CG1 3.44Å; T37-Q40 WeakPolarHBondContact O-CA 3.44Å; T37-Q40 WeakPolarHBondContact O-CB 3.22Å; T37-Q40 PolarHBondContact O-N 2.83Å; T37-Q40 VanDerWaalsContact OG1-CG 3.23Å; T37-Q40 WeakPolarHBondContact OG1-CG 3.24Å; T37-Q40 PolarHBondContact OG1-N 2.81Å; T37-Q40 PolarHBondContact OG1-NE2 3.33Å; T37-Q40 PolarHBondContact OG1-OE1 2.91Å; T37-A41 PolarHBondContact O-N 3.28Å; T37-S61 WeakPolarHBondContact CB-O 3.31Å; T37-S61 WeakPolarHBondContact CG2-O 3.37Å; T37-S61 PolarHBondContact OG1-O 2.91Å | ||
| 38 | P | 89.9 | Confident | 89.6 | Confident | 70 Ų | 70 | 40.6 Ų | 40.6 | 46% | 0.455 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -51.9 | -40.7 | 178.2 | -29.8 | 36.3 | 0 | 0 | 0 | 113.7 | Q40 A41 N42 W216 | P38-Q40 PolarHBondContact O-N 3.29Å; P38-A41 PolarHBondContact O-N 2.9Å; P38-N42 WeakPolarHBondContact O-CB 3.47Å; P38-N42 PolarHBondContact O-N 3.06Å; P38-N42 PolarHBondContact O-ND2 3.41Å; P38-W216 HydrophobicContact CB-CH2 3.9Å; P38-W216 HydrophobicContact CB-CZ2 3.79Å |
| 39 | V | 90.9 | Very high | 90 | Very high | 2 Ų | 2 | 43.9 Ų | 43.9 | 1% | 0.012 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -66.5 | -37.3 | 177.1 | 68.4 | 0 | 0 | 0 | 0 | 112.2 | T37 C43 S61 K63 A66 F194 W216 | T37-V39 PolarHBondContact O-N 3.28Å; T37-V39 VanDerWaalsContact O-N 3.15Å; T37-V39 WeakPolarHBondContact OG1-CG1 3.44Å; V39-C43 WeakPolarHBondContact O-CB 3.1Å; V39-C43 PolarHBondContact O-N 3.47Å; V39-C43 PolarHBondContact O-SG 3.34Å; V39-S61 WeakPolarHBondContact CG1-O 3.3Å; V39-K63 HydrophobicContact CG1-CG 4.26Å; V39-K63 HydrophobicContact CG2-CG 4.26Å; V39-A66 HydrophobicContact CG2-CB 4.49Å; V39-F194 HydrophobicContact CG2-CD1 4.45Å; V39-F194 HydrophobicContact CG2-CE1 4.06Å; V39-W216 VanDerWaalsContact CA-CZ3 3.44Å; V39-W216 HydrophobicContact CB-CE3 4.19Å; V39-W216 HydrophobicContact CB-CH2 3.86Å; V39-W216 HydrophobicContact CB-CZ3 3.41Å; V39-W216 VanDerWaalsContact CB-CZ3 3.41Å; V39-W216 HydrophobicContact CG2-CE3 3.95Å; V39-W216 HydrophobicContact CG2-CH2 4.49Å; V39-W216 HydrophobicContact CG2-CZ3 3.58Å |
| 40 | Q | 94.3 | Very high | 90.6 | Very high | 3 Ų | 3 | 44.6 Ų | 44.6 | 1% | 0.014 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -67.7 | -47.7 | 175.9 | -70.5 | 159.9 | 5.7 | 0 | 0 | 110.8 | P36 T37 P38 N42 I44 G62 L65 A66 | P36-Q40 VanDerWaalsContact CA-OE1 3.27Å; P36-Q40 HydrophobicContact CB-CB 4.09Å; T37-Q40 WeakPolarHBondContact O-CA 3.44Å; T37-Q40 WeakPolarHBondContact O-CB 3.22Å; T37-Q40 PolarHBondContact O-N 2.83Å; T37-Q40 VanDerWaalsContact OG1-CG 3.23Å; T37-Q40 WeakPolarHBondContact OG1-CG 3.24Å; T37-Q40 PolarHBondContact OG1-N 2.81Å; T37-Q40 PolarHBondContact OG1-NE2 3.33Å; T37-Q40 PolarHBondContact OG1-OE1 2.91Å; P38-Q40 PolarHBondContact O-N 3.29Å; Q40-N42 VanDerWaalsContact C-N 3.28Å; Q40-N42 PolarHBondContact O-N 3.37Å; Q40-I44 HydrophobicContact CB-CD1 3.76Å; Q40-I44 HydrophobicContact CB-CG1 4.45Å; Q40-I44 HydrophobicContact CG-CD1 4.28Å; Q40-I44 WeakPolarHBondContact O-CB 3.28Å; Q40-I44 WeakPolarHBondContact O-CG1 3.35Å; Q40-I44 PolarHBondContact O-N 2.65Å; Q40-G62 PolarHBondContact NE2-O 3.48Å; Q40-L65 HydrophobicContact CG-CB 4.43Å; Q40-A66 HydrophobicContact CG-CB 3.92Å |
| 41 | A | 94.3 | Very high | 91.1 | Very high | 34 Ų | 34 | 45 Ų | 45 | 28% | 0.281 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -60.5 | -35.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113 | L18 T37 P38 P45 | L18-A41 HydrophobicContact CD2-CB 4.25Å; T37-A41 PolarHBondContact O-N 3.28Å; P38-A41 PolarHBondContact O-N 2.9Å; A41-P45 VanDerWaalsContact O-CD 3.28Å; A41-P45 WeakPolarHBondContact O-CD 3.39Å |
| 42 | N | 95.2 | Very high | 91.8 | Very high | 60 Ų | 60 | 41.5 Ų | 41.5 | 32% | 0.321 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -90.6 | -31.4 | -177.8 | -72.3 | -83.2 | 0 | 0 | 0 | 113.7 | P38 Q40 Q46 W216 | P38-N42 WeakPolarHBondContact O-CB 3.47Å; P38-N42 PolarHBondContact O-N 3.06Å; P38-N42 PolarHBondContact O-ND2 3.41Å; Q40-N42 VanDerWaalsContact C-N 3.28Å; Q40-N42 PolarHBondContact O-N 3.37Å; N42-Q46 WeakPolarHBondContact O-CG 3.4Å; N42-W216 HydrophobicContact CB-CB 4.49Å; N42-W216 HydrophobicContact CB-CD2 3.86Å; N42-W216 HydrophobicContact CB-CG 3.67Å; N42-W216 HydrophobicContact CB-CZ2 4.5Å; N42-W216 PolarHBondContact ND2-NE1 3.07Å |
| 43 | C | 96.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -88.8 | -41.4 | -178.3 | -63.8 | 0 | 0 | 0 | 0 | 112.9 | V39 Q46 I47 V53 A66 F194 | V39-C43 WeakPolarHBondContact O-CB 3.1Å; V39-C43 PolarHBondContact O-N 3.47Å; V39-C43 PolarHBondContact O-SG 3.34Å; C43-Q46 PolarHBondContact O-N 3.15Å; C43-Q46 VanDerWaalsContact O-N 3.1Å; C43-I47 HydrophobicContact CB-CD1 4.24Å; C43-I47 VanDerWaalsContact O-CG1 3.29Å; C43-I47 WeakPolarHBondContact O-CG1 3.48Å; C43-I47 PolarHBondContact O-N 3.36Å; C43-V53 HydrophobicContact CB-CG1 4.07Å; C43-A66 HydrophobicContact CB-CB 4.4Å; C43-F194 HydrophobicContact CB-CE1 4.43Å; C43-F194 HydrophobicContact CB-CZ 4.36Å |
| 44 | I | 97.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -55.3 | -51.1 | -172.6 | -70 | 171.3 | 0 | 0 | 0 | 112.2 | F15 L18 I20 Q40 Q46 I47 L48 A66 L69 | F15-I44 HydrophobicContact CD1-CD1 4.47Å; F15-I44 HydrophobicContact CE1-CD1 4.3Å; L18-I44 HydrophobicContact CB-CG2 4.13Å; L18-I44 HydrophobicContact CD1-CD1 4.13Å; I20-I44 HydrophobicContact CD1-CG2 3.71Å; I20-I44 HydrophobicContact CG1-CG2 3.9Å; Q40-I44 HydrophobicContact CB-CD1 3.76Å; Q40-I44 HydrophobicContact CB-CG1 4.45Å; Q40-I44 HydrophobicContact CG-CD1 4.28Å; Q40-I44 WeakPolarHBondContact O-CB 3.28Å; Q40-I44 WeakPolarHBondContact O-CG1 3.35Å; Q40-I44 PolarHBondContact O-N 2.65Å; I44-Q46 PolarHBondContact O-N 2.89Å; I44-I47 PolarHBondContact O-N 2.88Å; I44-I47 VanDerWaalsContact O-N 3.16Å; I44-L48 HydrophobicContact CG2-CD1 4.03Å; I44-L48 HydrophobicContact CG2-CG 4.42Å; I44-L48 WeakPolarHBondContact O-CG 3.4Å; I44-L48 PolarHBondContact O-N 3.48Å; I44-A66 WeakPolarHBondContact CG1-O 3.35Å; I44-L69 HydrophobicContact CD1-CD1 4.06Å |
| 45 | P | 97.3 | Very high | 93.6 | Very high | 43 Ų | 43 | 32.1 Ų | 32.1 | 28% | 0.279 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -62.1 | -33.5 | -179.1 | -23.2 | 34.6 | 0 | 0 | 0 | 112.9 | L18 A41 A49 | L18-P45 HydrophobicContact CB-CG 4.23Å; L18-P45 HydrophobicContact CD2-CG 4.21Å; A41-P45 VanDerWaalsContact O-CD 3.28Å; A41-P45 WeakPolarHBondContact O-CD 3.39Å; P45-A49 WeakPolarHBondContact O-CB 3.34Å; P45-A49 PolarHBondContact O-N 3.45Å |
| 46 | Q | 97.2 | Very high | 93.7 | Very high | 47 Ų | 47 | 27.8 Ų | 27.8 | 22% | 0.22 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -73.7 | -34 | 179.8 | -55.4 | -59.3 | -42.3 | 0 | 0 | 111.8 | N42 C43 I44 A49 K51 V53 Y214 | N42-Q46 WeakPolarHBondContact O-CG 3.4Å; C43-Q46 PolarHBondContact O-N 3.15Å; C43-Q46 VanDerWaalsContact O-N 3.1Å; I44-Q46 PolarHBondContact O-N 2.89Å; Q46-A49 PolarHBondContact O-N 3.16Å; Q46-K51 WeakPolarHBondContact O-CB 3.44Å; Q46-K51 PolarHBondContact O-N 2.94Å; Q46-V53 HydrophobicContact CB-CG2 4.04Å; Q46-Y214 HydrophobicContact CB-CD1 3.84Å; Q46-Y214 HydrophobicContact CB-CE1 4.28Å; Q46-Y214 HydrophobicContact CB-CG 4.07Å; Q46-Y214 HydrophobicContact CG-CD1 3.61Å; Q46-Y214 HydrophobicContact CG-CD2 4.05Å; Q46-Y214 HydrophobicContact CG-CE1 3.61Å; Q46-Y214 HydrophobicContact CG-CE2 4.07Å; Q46-Y214 HydrophobicContact CG-CG 3.82Å |
| 47 | I | 97.7 | Very high | 93.3 | Very high | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -67.4 | -46.3 | 173.7 | -61.4 | 166 | 0 | 0 | 0 | 109.9 | C43 I44 A49 G50 V53 A66 P70 F160 Q190 L192 F194 | C43-I47 HydrophobicContact CB-CD1 4.24Å; C43-I47 VanDerWaalsContact O-CG1 3.29Å; C43-I47 WeakPolarHBondContact O-CG1 3.48Å; C43-I47 PolarHBondContact O-N 3.36Å; I44-I47 PolarHBondContact O-N 2.88Å; I44-I47 VanDerWaalsContact O-N 3.16Å; I47-A49 PolarHBondContact O-N 3.36Å; I47-G50 PolarHBondContact O-N 3.17Å; I47-V53 HydrophobicContact CG1-CB 4.2Å; I47-V53 HydrophobicContact CG1-CG2 3.66Å; I47-A66 WeakPolarHBondContact CD1-O 3.47Å; I47-P70 HydrophobicContact CB-CB 4.01Å; I47-P70 HydrophobicContact CB-CG 3.9Å; I47-P70 HydrophobicContact CD1-CG 3.9Å; I47-P70 HydrophobicContact CG2-CB 3.6Å; I47-P70 HydrophobicContact CG2-CG 3.61Å; I47-F160 HydrophobicContact CG2-CE1 3.99Å; I47-Q190 PolarHBondContact O-NE2 3.03Å; I47-L192 HydrophobicContact CD1-CD1 3.99Å; I47-L192 HydrophobicContact CD1-CD2 4.28Å; I47-L192 HydrophobicContact CG1-CD1 4.24Å; I47-L192 HydrophobicContact CG1-CD2 3.81Å; I47-L192 HydrophobicContact CG2-CD1 3.88Å; I47-L192 HydrophobicContact CG2-CD2 4.15Å; I47-F194 HydrophobicContact CD1-CZ 4.33Å |
| 48 | L | 97.1 | Very high | 92.5 | Very high | 49 Ų | 49 | 27.7 Ų | 27.7 | 26% | 0.257 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -62 | -32.2 | 176.5 | -68.2 | 176.6 | 0 | 0 | 0 | 112.5 | I20 I44 G50 P70 Q73 V74 | I20-L48 HydrophobicContact CD1-CD1 4.13Å; I44-L48 HydrophobicContact CG2-CD1 4.03Å; I44-L48 HydrophobicContact CG2-CG 4.42Å; I44-L48 WeakPolarHBondContact O-CG 3.4Å; I44-L48 PolarHBondContact O-N 3.48Å; L48-G50 PolarHBondContact O-N 3.07Å; L48-P70 HydrophobicContact CD2-CB 3.62Å; L48-P70 HydrophobicContact CG-CB 3.96Å; L48-Q73 HydrophobicContact CD2-CB 4.45Å; L48-Q73 HydrophobicContact CD2-CG 4.36Å; L48-V74 HydrophobicContact CD2-CG2 4.28Å |
| 49 | A | 95.9 | Very high | 91.6 | Very high | 69 Ų | 69 | 25.7 Ų | 25.7 | 57% | 0.57 | 15% | 0.154 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | 2.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | P45 Q46 I47 | P45-A49 WeakPolarHBondContact O-CB 3.34Å; P45-A49 PolarHBondContact O-N 3.45Å; Q46-A49 PolarHBondContact O-N 3.16Å; I47-A49 PolarHBondContact O-N 3.36Å |
| 50 | G | 94.7 | Very high | 90.4 | Very high | 32 Ų | 32 | 28 Ų | 28 | 33% | 0.33 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.5 | 18.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | I47 L48 | I47-G50 PolarHBondContact O-N 3.17Å; L48-G50 PolarHBondContact O-N 3.07Å |
| 51 | K | 94.3 | Very high | 89.4 | Confident | 96 Ų | 96 | 28.8 Ų | 28.8 | 42% | 0.417 | 18% | 0.184 | S | C | . | . | trans | -88 | 143.9 | 178 | -60.2 | -178.3 | -175.6 | 170.1 | 0 | 111.6 | Q46 Q190 | Q46-K51 WeakPolarHBondContact O-CB 3.44Å; Q46-K51 PolarHBondContact O-N 2.94Å; K51-Q190 PolarHBondContact O-NE2 3.25Å | ||
| 52 | D | 94.1 | Very high | 88.9 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 18% | 0.182 | C | C | . | . | trans | -61.5 | 143.4 | 161.6 | -70.2 | -4.3 | 0 | 0 | 0 | 108.5 | Q190 T191 V210 K211 P213 Y214 | D52-Q190 WeakPolarHBondContact OD1-CA 3.31Å; D52-T191 VanDerWaalsContact CA-O 3.23Å; D52-T191 WeakPolarHBondContact CA-O 3.22Å; D52-T191 WeakPolarHBondContact CB-O 3.22Å; D52-T191 PolarHBondContact OD1-N 3.32Å; D52-V210 PolarHBondContact OD2-N 2.84Å; D52-K211 PolarHBondContact OD2-N 3.15Å; D52-P213 HydrophobicContact CB-CB 3.97Å; D52-P213 CarbonylContact O-C 3.6Å; D52-P213 VanDerWaalsContact O-CA 3.32Å; D52-P213 WeakPolarHBondContact O-CA 3.5Å; D52-Y214 PolarHBondContact O-N 2.94Å | ||
| 53 | V | 93.5 | Very high | 88.6 | Confident | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.006 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 136.3 | -175.4 | 173.3 | 0 | 0 | 0 | 0 | 111.1 | C43 Q46 I47 T191 L192 L193 Y214 | C43-V53 HydrophobicContact CB-CG1 4.07Å; Q46-V53 HydrophobicContact CB-CG2 4.04Å; I47-V53 HydrophobicContact CG1-CB 4.2Å; I47-V53 HydrophobicContact CG1-CG2 3.66Å; V53-T191 PolarHBondContact N-O 3.22Å; V53-T191 VanDerWaalsContact N-O 3.1Å; V53-L192 HydrophobicContact CB-CD2 4.01Å; V53-L192 HydrophobicContact CG2-CD2 4.32Å; V53-L192 CarbonylContact O-C 3.54Å; V53-L192 WeakPolarHBondContact O-CA 3.27Å; V53-L193 PolarHBondContact O-N 2.87Å; V53-Y214 CarbonylContact C-O 3.53Å; V53-Y214 WeakPolarHBondContact CA-O 3.33Å; V53-Y214 HydrophobicContact CG1-CD1 4.3Å; V53-Y214 HydrophobicContact CG2-CD1 4.3Å |
| 54 | I | 91.4 | Very high | 88.4 | Confident | 4 Ų | 4 | 27.2 Ų | 27.2 | 2% | 0.021 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 112 | 164.3 | -57.6 | 172.8 | 0 | 0 | 0 | 107.8 | L193 L202 V205 P213 Y214 F215 W216 | I54-L193 CarbonylContact C-O 3.26Å; I54-L193 VanDerWaalsContact CA-O 3.29Å; I54-L193 WeakPolarHBondContact CA-O 3.14Å; I54-L193 HydrophobicContact CG1-CB 4.46Å; I54-L202 HydrophobicContact CD1-CD2 3.97Å; I54-V205 HydrophobicContact CD1-CB 4.08Å; I54-V205 HydrophobicContact CD1-CG1 3.56Å; I54-V205 HydrophobicContact CD1-CG2 4.11Å; I54-V205 HydrophobicContact CG1-CG1 3.92Å; I54-V205 HydrophobicContact CG1-CG2 4.47Å; I54-P213 HydrophobicContact CD1-CB 4.12Å; I54-P213 HydrophobicContact CD1-CG 3.64Å; I54-P213 HydrophobicContact CG1-CB 3.98Å; I54-P213 HydrophobicContact CG1-CG 4.08Å; I54-Y214 PolarHBondContact N-O 3.41Å; I54-F215 HydrophobicContact CB-CD2 3.84Å; I54-F215 HydrophobicContact CB-CE2 4.48Å; I54-F215 HydrophobicContact CD1-CD2 4.34Å; I54-F215 HydrophobicContact CG2-CD2 3.72Å; I54-F215 HydrophobicContact CG2-CE2 3.87Å; I54-W216 PolarHBondContact O-N 2.95Å |
| 55 | G | 90.7 | Very high | 88.2 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 112 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | L193 F194 S195 | G55-L193 PolarHBondContact N-O 2.91Å; G55-F194 WeakPolarHBondContact O-CA 3.28Å; G55-S195 PolarHBondContact O-N 3.19Å; G55-S195 VanDerWaalsContact O-N 3.1Å |
| 56 | C | 86.4 | Confident | 88.1 | Confident | 5 Ų | 5 | 26 Ų | 26 | 3% | 0.034 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 113.6 | 178.9 | -68.7 | 0 | 0 | 0 | 0 | 111 | S195 I198 W216 Q217 E218 | C56-S195 WeakPolarHBondContact CA-O 3.36Å; C56-I198 HydrophobicContact CB-CD1 4.31Å; C56-I198 HydrophobicContact CB-CG1 3.9Å; C56-I198 VanDerWaalsContact SG-CG1 3.54Å; C56-W216 PolarHBondContact N-O 3.33Å; C56-Q217 HydrophobicContact CB-CB 4.27Å; C56-Q217 HydrophobicContact CB-CG 4.24Å; C56-Q217 WeakPolarHBondContact O-CA 3.22Å; C56-E218 PolarHBondContact O-N 3.1Å |
| 57 | S | 82.1 | Confident | 88.1 | Confident | 5 Ų | 5 | 23.7 Ų | 23.7 | 4% | 0.035 | 16% | 0.157 | C | C | . | . | trans | -154.5 | 162.2 | 176.4 | 58 | 0 | 0 | 0 | 0 | 112 | S61 K63 S195 E218 | S57-S61 WeakPolarHBondContact CB-OG 3.42Å; S57-S61 PolarHBondContact OG-OG 3.44Å; S57-K63 PolarHBondContact O-NZ 3.37Å; S57-K63 VanDerWaalsContact OG-CD 3.32Å; S57-K63 WeakPolarHBondContact OG-CD 3.15Å; S57-K63 WeakPolarHBondContact OG-CG 3.43Å; S57-S195 PolarHBondContact N-O 2.99Å; S57-S195 VanDerWaalsContact N-O 3.16Å; S57-E218 WeakPolarHBondContact CB-OE2 3.5Å | ||
| 58 | K | 72.3 | Confident | 88 | Confident | 61 Ų | 61 | 23.7 Ų | 23.7 | 27% | 0.265 | 16% | 0.157 | S | C | . | . | trans | -58.9 | 157.4 | -179.2 | -61.5 | -176.4 | -176.4 | -179.5 | 0 | 111.5 | S61 E218 S220 T222 T224 | K58-S61 VanDerWaalsContact O-CB 3.26Å; K58-S61 WeakPolarHBondContact O-CB 3.29Å; K58-S61 PolarHBondContact O-N 3.47Å; K58-S61 PolarHBondContact O-OG 3.26Å; K58-E218 PolarHBondContact N-OE2 2.78Å; K58-S220 WeakPolarHBondContact CE-OG 3.15Å; K58-S220 PolarHBondContact NZ-OG 2.98Å; K58-T222 PolarHBondContact NZ-O 3.42Å; K58-T224 PolarHBondContact NZ-O 3.09Å | ||
| 59 | T | 69.3 | Low | 88 | Confident | 27 Ų | 27 | 21.3 Ų | 21.3 | 17% | 0.166 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | 139 | 177.2 | 56.4 | 0 | 0 | 0 | 0 | 111 | S61 | T59-S61 VanDerWaalsContact C-N 3.34Š|
| 60 | G | 67.2 | Low | 88.1 | Confident | 51 Ų | 51 | 18 Ų | 18 | 53% | 0.526 | 12% | 0.117 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82.1 | 8.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | G62 | G60-G62 PolarHBondContact O-N 3.38Š|
| 61 | S | 73.3 | Confident | 88.3 | Confident | 20 Ų | 20 | 16.5 Ų | 16.5 | 14% | 0.14 | 10% | 0.101 | C | C | . | . | S | Bend | trans | -80.7 | 7.7 | 176.3 | 55.9 | 0 | 0 | 0 | 0 | 114.3 | T37 V39 S57 K58 T59 | T37-S61 WeakPolarHBondContact CB-O 3.31Å; T37-S61 WeakPolarHBondContact CG2-O 3.37Å; T37-S61 PolarHBondContact OG1-O 2.91Å; V39-S61 WeakPolarHBondContact CG1-O 3.3Å; S57-S61 WeakPolarHBondContact CB-OG 3.42Å; S57-S61 PolarHBondContact OG-OG 3.44Å; K58-S61 VanDerWaalsContact O-CB 3.26Å; K58-S61 WeakPolarHBondContact O-CB 3.29Å; K58-S61 PolarHBondContact O-N 3.47Å; K58-S61 PolarHBondContact O-OG 3.26Å; T59-S61 VanDerWaalsContact C-N 3.34Å |
| 62 | G | 82.4 | Confident | 88.4 | Confident | 23 Ų | 23 | 12 Ų | 12 | 24% | 0.237 | 8% | 0.082 | C | C | . | . | S | Bend | trans | 85.9 | 19.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | Q40 G60 T64 L65 A66 | Q40-G62 PolarHBondContact NE2-O 3.48Å; G60-G62 PolarHBondContact O-N 3.38Å; G62-T64 VanDerWaalsContact C-N 3.3Å; G62-T64 PolarHBondContact O-N 2.8Å; G62-L65 PolarHBondContact O-N 3.21Å; G62-A66 PolarHBondContact O-N 3.32Å |
| 63 | K | 88.8 | Confident | 88.6 | Confident | 18 Ų | 18 | 13 Ų | 13 | 8% | 0.078 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -52.8 | -39.5 | 179.3 | -66.6 | -172.1 | -71.9 | -156 | 0 | 114.4 | V39 S57 L65 A66 F67 F194 S195 | V39-K63 HydrophobicContact CG1-CG 4.26Å; V39-K63 HydrophobicContact CG2-CG 4.26Å; S57-K63 PolarHBondContact O-NZ 3.37Å; S57-K63 VanDerWaalsContact OG-CD 3.32Å; S57-K63 WeakPolarHBondContact OG-CD 3.15Å; S57-K63 WeakPolarHBondContact OG-CG 3.43Å; K63-L65 VanDerWaalsContact C-N 3.31Å; K63-L65 PolarHBondContact O-N 2.95Å; K63-A66 VanDerWaalsContact O-CB 3.27Å; K63-A66 WeakPolarHBondContact O-CB 3.36Å; K63-A66 PolarHBondContact O-N 3.08Å; K63-F67 WeakPolarHBondContact O-CD1 3.22Å; K63-F67 PolarHBondContact O-N 3.32Å; K63-F194 HydrophobicContact CB-CD1 3.97Å; K63-F194 HydrophobicContact CB-CG 4.43Å; K63-F194 HydrophobicContact CD-CB 4.17Å; K63-F194 HydrophobicContact CD-CD1 4.08Å; K63-F194 HydrophobicContact CG-CD1 4.03Å; K63-S195 VanDerWaalsContact NZ-C 3.31Å; K63-S195 PolarHBondContact NZ-O 2.81Å |
| 64 | T | 92.2 | Very high | 88.7 | Confident | 19 Ų | 19 | 13.4 Ų | 13.4 | 12% | 0.117 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -56.9 | -44.6 | -179.1 | -51.1 | 0 | 0 | 0 | 0 | 112.4 | G62 A66 F67 A68 I97 Q100 | G62-T64 VanDerWaalsContact C-N 3.3Å; G62-T64 PolarHBondContact O-N 2.8Å; T64-A66 VanDerWaalsContact C-N 3.31Å; T64-A66 PolarHBondContact O-N 3.41Å; T64-F67 VanDerWaalsContact CA-CE1 3.48Å; T64-F67 HydrophobicContact CG2-CE2 4.34Å; T64-F67 HydrophobicContact CG2-CZ 3.96Å; T64-F67 PolarHBondContact O-N 3.01Å; T64-A68 WeakPolarHBondContact O-CB 3.25Å; T64-A68 PolarHBondContact O-N 2.88Å; T64-I97 HydrophobicContact CG2-CB 4.37Å; T64-I97 HydrophobicContact CG2-CG1 3.99Å; T64-I97 HydrophobicContact CG2-CG2 4.26Å; T64-Q100 HydrophobicContact CG2-CB 4.02Å; T64-Q100 HydrophobicContact CG2-CG 3.9Å |
| 65 | L | 93.6 | Very high | 88.9 | Confident | 17 Ų | 17 | 13.3 Ų | 13.3 | 9% | 0.089 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -71.4 | -28.6 | 178.5 | -61.7 | 171.7 | 0 | 0 | 0 | 112.3 | I33 Q40 G62 K63 F67 A68 L69 L104 | I33-L65 HydrophobicContact CD1-CD1 3.37Å; I33-L65 HydrophobicContact CD1-CD2 3.84Å; I33-L65 HydrophobicContact CD1-CG 4.25Å; I33-L65 HydrophobicContact CG1-CD1 3.88Å; I33-L65 HydrophobicContact CG2-CD1 4.17Å; Q40-L65 HydrophobicContact CG-CB 4.43Å; G62-L65 PolarHBondContact O-N 3.21Å; K63-L65 VanDerWaalsContact C-N 3.31Å; K63-L65 PolarHBondContact O-N 2.95Å; L65-F67 PolarHBondContact O-N 3.43Å; L65-A68 PolarHBondContact O-N 3.32Å; L65-L69 HydrophobicContact CB-CD1 4.23Å; L65-L69 HydrophobicContact CB-CG 4.46Å; L65-L69 WeakPolarHBondContact O-CB 3.36Å; L65-L69 WeakPolarHBondContact O-CG 3.28Å; L65-L69 PolarHBondContact O-N 3.02Å; L65-L104 HydrophobicContact CD2-CD1 3.49Å; L65-L104 VanDerWaalsContact CD2-CD1 3.49Å |
| 66 | A | 95.4 | Very high | 89.1 | Confident | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -60.9 | -31.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | V39 Q40 C43 I44 I47 G62 K63 T64 P70 F194 | V39-A66 HydrophobicContact CG2-CB 4.49Å; Q40-A66 HydrophobicContact CG-CB 3.92Å; C43-A66 HydrophobicContact CB-CB 4.4Å; I44-A66 WeakPolarHBondContact CG1-O 3.35Å; I47-A66 WeakPolarHBondContact CD1-O 3.47Å; G62-A66 PolarHBondContact O-N 3.32Å; K63-A66 VanDerWaalsContact O-CB 3.27Å; K63-A66 WeakPolarHBondContact O-CB 3.36Å; K63-A66 PolarHBondContact O-N 3.08Å; T64-A66 VanDerWaalsContact C-N 3.31Å; T64-A66 PolarHBondContact O-N 3.41Å; A66-P70 WeakPolarHBondContact O-CD 3.24Å; A66-P70 VanDerWaalsContact O-CG 3.27Å; A66-P70 WeakPolarHBondContact O-CG 3.49Å; A66-F194 HydrophobicContact CB-CE1 3.97Å; A66-F194 HydrophobicContact CB-CZ 4.07Å |
| 67 | F | 97.3 | Very high | 89.5 | Confident | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -101.1 | -33.4 | 172.1 | 63 | -104.4 | 0 | 0 | 0 | 114.3 | K63 T64 L65 P70 I71 V86 I97 F101 V162 D164 L192 F194 | K63-F67 WeakPolarHBondContact O-CD1 3.22Å; K63-F67 PolarHBondContact O-N 3.32Å; T64-F67 VanDerWaalsContact CA-CE1 3.48Å; T64-F67 HydrophobicContact CG2-CE2 4.34Å; T64-F67 HydrophobicContact CG2-CZ 3.96Å; T64-F67 PolarHBondContact O-N 3.01Å; L65-F67 PolarHBondContact O-N 3.43Å; F67-P70 WeakPolarHBondContact O-CD 3.45Å; F67-P70 WeakPolarHBondContact O-CG 3.16Å; F67-I71 HydrophobicContact CB-CD1 4.39Å; F67-I71 HydrophobicContact CD2-CD1 4.26Å; F67-I71 WeakPolarHBondContact O-CB 3.42Å; F67-I71 WeakPolarHBondContact O-CD1 3.33Å; F67-I71 WeakPolarHBondContact O-CG1 3.43Å; F67-I71 PolarHBondContact O-N 3.4Å; F67-V86 HydrophobicContact CE2-CG1 4.32Å; F67-V86 HydrophobicContact CE2-CG2 4.38Å; F67-V86 HydrophobicContact CZ-CG1 4.37Å; F67-I97 HydrophobicContact CE2-CG2 4.09Å; F67-I97 HydrophobicContact CZ-CD1 4.31Å; F67-I97 HydrophobicContact CZ-CG1 4.44Å; F67-I97 HydrophobicContact CZ-CG2 4.2Å; F67-F101 HydrophobicContact CD2-CE2 4.39Å; F67-F101 HydrophobicContact CD2-CZ 4.16Å; F67-F101 AromaticContact CE2-CE2 3.89Å; F67-F101 HydrophobicContact CE2-CE2 3.89Å; F67-F101 HydrophobicContact CE2-CZ 4.12Å; F67-V162 HydrophobicContact CB-CG1 4.47Å; F67-V162 HydrophobicContact CB-CG2 4.46Å; F67-V162 HydrophobicContact CD1-CG1 3.89Å; F67-V162 HydrophobicContact CD2-CG1 4Å; F67-V162 HydrophobicContact CD2-CG2 4.16Å; F67-V162 HydrophobicContact CE1-CG1 3.99Å; F67-V162 HydrophobicContact CE2-CG1 4.15Å; F67-V162 HydrophobicContact CG-CG1 3.88Å; F67-V162 HydrophobicContact CG-CG2 4.39Å; F67-V162 HydrophobicContact CZ-CG1 4.13Å; F67-D164 HydrophobicContact CE1-CB 4.37Å; F67-L192 HydrophobicContact CB-CD1 3.88Å; F67-F194 HydrophobicContact CB-CD2 4.48Å; F67-F194 HydrophobicContact CB-CE2 3.71Å; F67-F194 HydrophobicContact CB-CZ 4.23Å; F67-F194 AromaticContact CD1-CD2 3.65Å; F67-F194 HydrophobicContact CD1-CD2 3.65Å; F67-F194 AromaticContact CD1-CE2 3.67Å; F67-F194 HydrophobicContact CD1-CE2 3.67Å; F67-F194 HydrophobicContact CD1-CG 4.29Å; F67-F194 HydrophobicContact CD1-CZ 4.31Å; F67-F194 HydrophobicContact CE1-CD2 4.35Å; F67-F194 HydrophobicContact CG-CD2 4.47Å; F67-F194 HydrophobicContact CG-CE2 4.15Å |
| 68 | A | 97.2 | Very high | 89.9 | Confident | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -66.3 | -43 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | T64 L65 I71 I72 F101 | T64-A68 WeakPolarHBondContact O-CB 3.25Å; T64-A68 PolarHBondContact O-N 2.88Å; L65-A68 PolarHBondContact O-N 3.32Å; A68-I71 PolarHBondContact O-N 2.8Å; A68-I72 WeakPolarHBondContact O-CB 3.16Å; A68-I72 VanDerWaalsContact O-CG1 3.23Å; A68-I72 WeakPolarHBondContact O-CG1 3.41Å; A68-I72 PolarHBondContact O-N 3.35Å; A68-F101 HydrophobicContact CB-CD1 4.31Å; A68-F101 HydrophobicContact CB-CE1 3.9Å; A68-F101 HydrophobicContact CB-CE2 4.13Å; A68-F101 HydrophobicContact CB-CZ 3.81Å |
| 69 | L | 96.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60.3 | -54.8 | -179.9 | -67.2 | 172.8 | 0 | 0 | 0 | 112.9 | F15 I20 L24 C28 I44 L65 I71 I72 Q73 L104 | F15-L69 HydrophobicContact CD1-CD1 3.8Å; F15-L69 HydrophobicContact CE1-CD1 3.55Å; I20-L69 HydrophobicContact CD1-CB 3.96Å; L24-L69 HydrophobicContact CD1-CD2 3.94Å; L24-L69 HydrophobicContact CD2-CB 4.41Å; L24-L69 HydrophobicContact CD2-CD2 4.13Å; L24-L69 WeakPolarHBondContact CD2-O 3.28Å; L24-L69 HydrophobicContact CG-CD2 3.92Å; C28-L69 WeakPolarHBondContact SG-CD2 3.47Å; I44-L69 HydrophobicContact CD1-CD1 4.06Å; L65-L69 HydrophobicContact CB-CD1 4.23Å; L65-L69 HydrophobicContact CB-CG 4.46Å; L65-L69 WeakPolarHBondContact O-CB 3.36Å; L65-L69 WeakPolarHBondContact O-CG 3.28Å; L65-L69 PolarHBondContact O-N 3.02Å; L69-I71 VanDerWaalsContact C-N 3.31Å; L69-I71 PolarHBondContact O-N 3.31Å; L69-I72 PolarHBondContact O-N 2.95Å; L69-Q73 PolarHBondContact O-N 2.95Å; L69-L104 HydrophobicContact CD2-CD1 3.94Å; L69-L104 HydrophobicContact CD2-CD2 4.29Å |
| 70 | P | 97.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64 | -35.4 | 178.7 | 24.1 | -34 | 0 | 0 | 0 | 112.4 | I47 L48 A66 F67 Q73 V74 | I47-P70 HydrophobicContact CB-CB 4.01Å; I47-P70 HydrophobicContact CB-CG 3.9Å; I47-P70 HydrophobicContact CD1-CG 3.9Å; I47-P70 HydrophobicContact CG2-CB 3.6Å; I47-P70 HydrophobicContact CG2-CG 3.61Å; L48-P70 HydrophobicContact CD2-CB 3.62Å; L48-P70 HydrophobicContact CG-CB 3.96Å; A66-P70 WeakPolarHBondContact O-CD 3.24Å; A66-P70 VanDerWaalsContact O-CG 3.27Å; A66-P70 WeakPolarHBondContact O-CG 3.49Å; F67-P70 WeakPolarHBondContact O-CD 3.45Å; F67-P70 WeakPolarHBondContact O-CG 3.16Å; P70-Q73 PolarHBondContact O-N 2.85Å; P70-V74 VanDerWaalsContact O-CG2 3.29Å; P70-V74 WeakPolarHBondContact O-CG2 3.27Å; P70-V74 PolarHBondContact O-N 3.18Å |
| 71 | I | 98.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -61.5 | -47.9 | 175.8 | -71 | 170 | 0 | 0 | 0 | 111.2 | F67 A68 L69 Q73 V74 L75 F83 A84 F101 F160 V162 L192 | F67-I71 HydrophobicContact CB-CD1 4.39Å; F67-I71 HydrophobicContact CD2-CD1 4.26Å; F67-I71 WeakPolarHBondContact O-CB 3.42Å; F67-I71 WeakPolarHBondContact O-CD1 3.33Å; F67-I71 WeakPolarHBondContact O-CG1 3.43Å; F67-I71 PolarHBondContact O-N 3.4Å; A68-I71 PolarHBondContact O-N 2.8Å; L69-I71 VanDerWaalsContact C-N 3.31Å; L69-I71 PolarHBondContact O-N 3.31Å; I71-Q73 VanDerWaalsContact C-N 3.31Å; I71-Q73 PolarHBondContact O-N 2.86Å; I71-V74 PolarHBondContact O-N 3.04Å; I71-L75 VanDerWaalsContact O-CB 3.27Å; I71-L75 WeakPolarHBondContact O-CB 3.29Å; I71-L75 PolarHBondContact O-N 3.42Å; I71-F83 HydrophobicContact CG2-CD1 4.21Å; I71-F83 HydrophobicContact CG2-CE1 4.26Å; I71-A84 HydrophobicContact CD1-CB 4.4Å; I71-A84 HydrophobicContact CG2-CB 3.73Å; I71-F101 HydrophobicContact CB-CE1 4.28Å; I71-F101 HydrophobicContact CD1-CZ 4.29Å; I71-F101 HydrophobicContact CG2-CE1 3.98Å; I71-F101 HydrophobicContact CG2-CZ 4.48Å; I71-F160 HydrophobicContact CD1-CB 4.1Å; I71-F160 HydrophobicContact CD1-CD1 4.35Å; I71-F160 HydrophobicContact CD1-CG 4.23Å; I71-F160 HydrophobicContact CG1-CB 4.16Å; I71-F160 HydrophobicContact CG1-CD1 3.81Å; I71-F160 HydrophobicContact CG1-CD2 4.09Å; I71-F160 HydrophobicContact CG1-CE1 4.16Å; I71-F160 HydrophobicContact CG1-CE2 4.44Å; I71-F160 HydrophobicContact CG1-CG 3.76Å; I71-F160 HydrophobicContact CG1-CZ 4.47Å; I71-V162 HydrophobicContact CD1-CG2 3.61Å; I71-L192 HydrophobicContact CD1-CD1 4.31Å |
| 72 | I | 97.5 | Very high | 94 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62.5 | -41.1 | 178.9 | -70.6 | 168.6 | 0 | 0 | 0 | 110.4 | W23 L24 A68 L69 L75 S76 F101 L104 L108 L110 | W23-I72 HydrophobicContact CH2-CG2 3.81Å; L24-I72 HydrophobicContact CD1-CG2 3.98Å; L24-I72 HydrophobicContact CD2-CB 4.45Å; L24-I72 HydrophobicContact CD2-CG2 4.27Å; A68-I72 WeakPolarHBondContact O-CB 3.16Å; A68-I72 VanDerWaalsContact O-CG1 3.23Å; A68-I72 WeakPolarHBondContact O-CG1 3.41Å; A68-I72 PolarHBondContact O-N 3.35Å; L69-I72 PolarHBondContact O-N 2.95Å; I72-L75 PolarHBondContact O-N 3.46Å; I72-S76 PolarHBondContact O-N 3.12Å; I72-F101 HydrophobicContact CD1-CD1 3.86Å; I72-F101 HydrophobicContact CD1-CE1 4.38Å; I72-F101 HydrophobicContact CG1-CD1 3.85Å; I72-F101 HydrophobicContact CG1-CE1 4.09Å; I72-L104 HydrophobicContact CD1-CB 3.6Å; I72-L104 HydrophobicContact CD1-CD1 4.46Å; I72-L108 HydrophobicContact CG2-CD1 3.77Å; I72-L110 HydrophobicContact CG1-CD2 4.44Å |
| 73 | Q | 96.8 | Very high | 94.7 | Very high | 21 Ų | 21 | 25.5 Ų | 25.5 | 10% | 0.098 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -60.7 | -53.2 | 176.6 | 177.2 | 156 | -61.3 | 0 | 0 | 111.9 | G19 I20 S21 L24 L48 L69 P70 I71 L75 S76 | G19-Q73 PolarHBondContact O-NE2 2.84Å; I20-Q73 VanDerWaalsContact CA-OE1 3.26Å; S21-Q73 PolarHBondContact OG-OE1 2.96Å; L24-Q73 HydrophobicContact CD2-CB 4.01Å; L48-Q73 HydrophobicContact CD2-CB 4.45Å; L48-Q73 HydrophobicContact CD2-CG 4.36Å; L69-Q73 PolarHBondContact O-N 2.95Å; P70-Q73 PolarHBondContact O-N 2.85Å; I71-Q73 VanDerWaalsContact C-N 3.31Å; I71-Q73 PolarHBondContact O-N 2.86Å; Q73-L75 VanDerWaalsContact C-N 3.28Å; Q73-L75 PolarHBondContact O-N 3.2Å; Q73-S76 WeakPolarHBondContact O-CB 3.44Å; Q73-S76 PolarHBondContact O-N 2.62Å; Q73-S76 PolarHBondContact O-OG 3.01Å |
| 74 | V | 96.7 | Very high | 95.1 | Very high | 10 Ų | 10 | 24.6 Ų | 24.6 | 6% | 0.061 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -65.9 | -35.1 | -178.3 | -175 | 0 | 0 | 0 | 0 | 111.2 | L48 P70 I71 S76 E77 F83 R159 F160 | L48-V74 HydrophobicContact CD2-CG2 4.28Å; P70-V74 VanDerWaalsContact O-CG2 3.29Å; P70-V74 WeakPolarHBondContact O-CG2 3.27Å; P70-V74 PolarHBondContact O-N 3.18Å; I71-V74 PolarHBondContact O-N 3.04Å; V74-S76 VanDerWaalsContact C-N 3.25Å; V74-S76 PolarHBondContact O-N 3.03Å; V74-E77 PolarHBondContact O-N 3.39Å; V74-F83 HydrophobicContact CB-CZ 4.11Å; V74-F83 HydrophobicContact CG1-CZ 3.83Å; V74-R159 VanDerWaalsContact CG1-NH1 3.32Å; V74-F160 HydrophobicContact CB-CE2 4.17Å; V74-F160 HydrophobicContact CB-CZ 4.3Å; V74-F160 HydrophobicContact CG1-CE2 4.26Å; V74-F160 HydrophobicContact CG2-CZ 4.18Å |
| 75 | L | 96.1 | Very high | 95.4 | Very high | 3 Ų | 3 | 23.7 Ų | 23.7 | 2% | 0.016 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -62.1 | -33.8 | 173.1 | 177.4 | 68.8 | 0 | 0 | 0 | 112.1 | I71 I72 Q73 E77 D78 P79 F83 L110 H133 | I71-L75 VanDerWaalsContact O-CB 3.27Å; I71-L75 WeakPolarHBondContact O-CB 3.29Å; I71-L75 PolarHBondContact O-N 3.42Å; I72-L75 PolarHBondContact O-N 3.46Å; Q73-L75 VanDerWaalsContact C-N 3.28Å; Q73-L75 PolarHBondContact O-N 3.2Å; L75-E77 PolarHBondContact O-N 2.99Å; L75-D78 CarbonylContact O-C 3.43Å; L75-D78 PolarHBondContact O-N 2.69Å; L75-P79 HydrophobicContact CD1-CB 4.35Å; L75-P79 WeakPolarHBondContact O-CA 3.42Å; L75-P79 WeakPolarHBondContact O-CD 3.44Å; L75-P79 VanDerWaalsContact O-CG 3.28Å; L75-P79 WeakPolarHBondContact O-CG 3.26Å; L75-P79 VanDerWaalsContact O-N 3.14Å; L75-F83 HydrophobicContact CB-CD1 3.94Å; L75-F83 HydrophobicContact CB-CE1 3.82Å; L75-F83 HydrophobicContact CB-CG 4.38Å; L75-F83 HydrophobicContact CB-CZ 4.18Å; L75-F83 HydrophobicContact CD1-CB 3.67Å; L75-F83 HydrophobicContact CD1-CD1 3.97Å; L75-F83 HydrophobicContact CD1-CD2 3.75Å; L75-F83 HydrophobicContact CD1-CE1 4.49Å; L75-F83 HydrophobicContact CD1-CE2 4.32Å; L75-F83 HydrophobicContact CD1-CG 3.56Å; L75-F83 HydrophobicContact CG-CD1 4.45Å; L75-F83 HydrophobicContact CG-CG 4.49Å; L75-L110 HydrophobicContact CD2-CD1 3.16Å; L75-H133 HydrophobicContact CD1-CB 4.37Å; L75-H133 HydrophobicContact CD2-CB 3.64Å |
| 76 | S | 94.9 | Very high | 95.6 | Very high | 37 Ų | 37 | 22.9 Ų | 22.9 | 26% | 0.259 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -66.4 | -20.9 | -179.1 | 78.8 | 0 | 0 | 0 | 0 | 114.1 | I72 Q73 V74 | I72-S76 PolarHBondContact O-N 3.12Å; Q73-S76 WeakPolarHBondContact O-CB 3.44Å; Q73-S76 PolarHBondContact O-N 2.62Å; Q73-S76 PolarHBondContact O-OG 3.01Å; V74-S76 VanDerWaalsContact C-N 3.25Å; V74-S76 PolarHBondContact O-N 3.03Å |
| 77 | E | 93.8 | Very high | 95.7 | Very high | 136 Ų | 136 | 22.9 Ų | 22.9 | 64% | 0.636 | 12% | 0.123 | S | C | * | . | H | α-helix | trans | -77.2 | -39.2 | 179.5 | -62.7 | 171.4 | -173.1 | 0 | 0 | 111.8 | V74 L75 | V74-E77 PolarHBondContact O-N 3.39Å; L75-E77 PolarHBondContact O-N 2.99Å |
| 78 | D | 90 | Very high | 95.5 | Very high | 107 Ų | 107 | 22.9 Ų | 22.9 | 57% | 0.572 | 12% | 0.123 | S | C | * | . | S | Bend | trans | -148 | 82.5 | 178.7 | -176.1 | 22.5 | 0 | 0 | 0 | 110.8 | L75 Y80 | L75-D78 CarbonylContact O-C 3.43Å; L75-D78 PolarHBondContact O-N 2.69Å; D78-Y80 WeakPolarHBondContact O-CD1 3.41Å; D78-Y80 PolarHBondContact O-N 3.13Å |
| 79 | P | 87.5 | Confident | 95.1 | Very high | 79 Ų | 79 | 23.6 Ų | 23.6 | 51% | 0.513 | 13% | 0.128 | S | C | . | . | trans | -72.7 | 123.3 | -178 | -14.3 | 27.3 | 0 | 0 | 0 | 112.4 | L75 | L75-P79 HydrophobicContact CD1-CB 4.35Å; L75-P79 WeakPolarHBondContact O-CA 3.42Å; L75-P79 WeakPolarHBondContact O-CD 3.44Å; L75-P79 VanDerWaalsContact O-CG 3.28Å; L75-P79 WeakPolarHBondContact O-CG 3.26Å; L75-P79 VanDerWaalsContact O-N 3.14Å | ||
| 80 | Y | 91.8 | Very high | 94.6 | Very high | 68 Ų | 68 | 23.9 Ų | 23.9 | 27% | 0.267 | 13% | 0.13 | S | C | . | . | trans | -144.3 | 170.8 | 170.9 | 65 | -94.8 | 0 | 0 | 0 | 111.2 | D78 F83 H133 K157 | D78-Y80 WeakPolarHBondContact O-CD1 3.41Å; D78-Y80 PolarHBondContact O-N 3.13Å; Y80-F83 HydrophobicContact CD1-CD2 4.2Å; Y80-F83 AromaticContact CE1-CD2 3.45Å; Y80-F83 HydrophobicContact CE1-CD2 3.45Å; Y80-F83 VanDerWaalsContact CE1-CD2 3.45Å; Y80-F83 AromaticContact CE1-CE2 3.8Å; Y80-F83 HydrophobicContact CE1-CE2 3.8Å; Y80-F83 HydrophobicContact CE2-CD2 4.13Å; Y80-F83 AromaticContact CZ-CD2 3.4Å; Y80-F83 VanDerWaalsContact CZ-CD2 3.4Å; Y80-F83 WeakPolarHBondContact OH-CD2 3.44Å; Y80-H133 PolarHBondContact O-CD2 3.07Å; Y80-K157 HydrophobicContact CE2-CB 4.14Å; Y80-K157 WeakPolarHBondContact CE2-O 3.41Å; Y80-K157 PolarHBondContact OH-O 3.49Å | ||
| 81 | G | 92.4 | Very high | 94 | Very high | 13 Ų | 13 | 28 Ų | 28 | 13% | 0.134 | 15% | 0.146 | C | C | . | . | S | Bend | trans | -18.3 | -120.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | F83 P132 H133 | G81-F83 PolarHBondContact O-N 3.14Å; G81-P132 CarbonylContact O-C 3.51Å; G81-P132 VanDerWaalsContact O-C 3.29Å; G81-H133 WeakPolarHBondContact O-CA 3.3Å; G81-H133 PolarHBondContact O-N 3.38Å |
| 82 | I | 96.9 | Very high | 93.2 | Very high | 6 Ų | 6 | 28.5 Ų | 28.5 | 3% | 0.031 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -89.2 | 109.5 | 176.7 | -61.7 | 164 | 0 | 0 | 0 | 109.1 | P132 V135 W154 F155 I158 | I82-P132 VanDerWaalsContact CA-O 3.28Å; I82-P132 WeakPolarHBondContact CA-O 3.38Å; I82-P132 HydrophobicContact CG1-CG 4.46Å; I82-P132 WeakPolarHBondContact CG1-O 3.47Å; I82-V135 HydrophobicContact CD1-CG2 4.22Å; I82-V135 HydrophobicContact CG1-CG2 4.2Å; I82-V135 HydrophobicContact CG2-CG2 3.94Å; I82-W154 HydrophobicContact CD1-CB 3.61Å; I82-W154 HydrophobicContact CD1-CG 4.25Å; I82-F155 HydrophobicContact CD1-CE1 4.44Å; I82-F155 HydrophobicContact CG2-CD1 3.9Å; I82-F155 HydrophobicContact CG2-CE1 3.94Å; I82-I158 HydrophobicContact CG2-CG2 3.91Å |
| 83 | F | 97 | Very high | 92.7 | Very high | 1 Ų | 1 | 28.8 Ų | 28.8 | 0% | 0.004 | 15% | 0.149 | C | C | . | . | trans | -99.6 | -38.1 | -174.9 | -176.4 | -96.5 | 0 | 0 | 0 | 112.8 | I71 V74 L75 Y80 G81 H133 R159 F160 | I71-F83 HydrophobicContact CG2-CD1 4.21Å; I71-F83 HydrophobicContact CG2-CE1 4.26Å; V74-F83 HydrophobicContact CB-CZ 4.11Å; V74-F83 HydrophobicContact CG1-CZ 3.83Å; L75-F83 HydrophobicContact CB-CD1 3.94Å; L75-F83 HydrophobicContact CB-CE1 3.82Å; L75-F83 HydrophobicContact CB-CG 4.38Å; L75-F83 HydrophobicContact CB-CZ 4.18Å; L75-F83 HydrophobicContact CD1-CB 3.67Å; L75-F83 HydrophobicContact CD1-CD1 3.97Å; L75-F83 HydrophobicContact CD1-CD2 3.75Å; L75-F83 HydrophobicContact CD1-CE1 4.49Å; L75-F83 HydrophobicContact CD1-CE2 4.32Å; L75-F83 HydrophobicContact CD1-CG 3.56Å; L75-F83 HydrophobicContact CG-CD1 4.45Å; L75-F83 HydrophobicContact CG-CG 4.49Å; Y80-F83 HydrophobicContact CD1-CD2 4.2Å; Y80-F83 AromaticContact CE1-CD2 3.45Å; Y80-F83 HydrophobicContact CE1-CD2 3.45Å; Y80-F83 VanDerWaalsContact CE1-CD2 3.45Å; Y80-F83 AromaticContact CE1-CE2 3.8Å; Y80-F83 HydrophobicContact CE1-CE2 3.8Å; Y80-F83 HydrophobicContact CE2-CD2 4.13Å; Y80-F83 AromaticContact CZ-CD2 3.4Å; Y80-F83 VanDerWaalsContact CZ-CD2 3.4Å; Y80-F83 WeakPolarHBondContact OH-CD2 3.44Å; G81-F83 PolarHBondContact O-N 3.14Å; F83-H133 WeakPolarHBondContact CB-O 3.29Å; F83-H133 PolarHBondContact N-O 3.02Å; F83-R159 HydrophobicContact CD2-CB 4.21Å; F83-R159 HydrophobicContact CE1-CB 4.44Å; F83-R159 HydrophobicContact CE2-CB 3.91Å; F83-R159 HydrophobicContact CE2-CG 4.4Å; F83-R159 HydrophobicContact CZ-CB 4.05Å; F83-R159 HydrophobicContact CZ-CG 4.27Å; F83-R159 PolarHBondContact O-N 3.37Å; F83-F160 AromaticContact CD1-CD2 3.92Å; F83-F160 HydrophobicContact CD1-CD2 3.92Å; F83-F160 HydrophobicContact CD1-CE2 4.38Å; F83-F160 AromaticContact CE1-CD2 3.33Å; F83-F160 HydrophobicContact CE1-CD2 3.33Å; F83-F160 AromaticContact CE1-CE2 3.36Å; F83-F160 HydrophobicContact CE1-CE2 3.36Å; F83-F160 AromaticContact CZ-CD2 3.94Å; F83-F160 HydrophobicContact CZ-CD2 3.94Å; F83-F160 AromaticContact CZ-CE2 3.64Å; F83-F160 HydrophobicContact CZ-CE2 3.64Å; F83-F160 PolarHBondContact O-N 2.89Å; F83-F160 VanDerWaalsContact O-N 3.15Å | ||
| 84 | A | 98.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 137.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | I71 H133 V134 V135 F160 | I71-A84 HydrophobicContact CD1-CB 4.4Å; I71-A84 HydrophobicContact CG2-CB 3.73Å; A84-H133 PolarHBondContact N-O 3.02Å; A84-H133 VanDerWaalsContact N-O 3.15Å; A84-V134 HydrophobicContact CB-CG1 4.28Å; A84-V134 HydrophobicContact CB-CG2 4.32Å; A84-V134 WeakPolarHBondContact O-CA 3.31Å; A84-V135 PolarHBondContact O-N 2.99Å; A84-F160 WeakPolarHBondContact CA-O 3.45Å; A84-F160 HydrophobicContact CB-CB 3.93Å |
| 85 | L | 98.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 121.8 | 169.1 | 173.2 | 60.4 | 0 | 0 | 0 | 109.5 | L87 V135 A137 L142 F155 I158 F160 L161 V162 I181 I185 | L85-L87 HydrophobicContact CD1-CD2 4.01Å; L85-L87 HydrophobicContact CD2-CD2 4.23Å; L85-L87 HydrophobicContact CD2-CG 4.41Å; L85-L87 HydrophobicContact CG-CD2 4.15Å; L85-L87 HydrophobicContact CG-CG 4.25Å; L85-V135 CarbonylContact C-O 3.47Å; L85-V135 WeakPolarHBondContact CA-O 3.46Å; L85-V135 HydrophobicContact CD1-CB 4.12Å; L85-V135 HydrophobicContact CD1-CG1 3.92Å; L85-A137 HydrophobicContact CD1-CB 4.45Å; L85-L142 HydrophobicContact CD1-CD2 3.65Å; L85-L142 HydrophobicContact CD2-CD2 3.9Å; L85-L142 HydrophobicContact CG-CD2 4.4Å; L85-F155 HydrophobicContact CB-CD1 4.37Å; L85-F155 HydrophobicContact CB-CE1 4.44Å; L85-F155 HydrophobicContact CD1-CE1 4.09Å; L85-F155 HydrophobicContact CD2-CD1 4.2Å; L85-F155 HydrophobicContact CD2-CE1 4.28Å; L85-I158 HydrophobicContact CB-CD1 4.26Å; L85-F160 PolarHBondContact N-O 2.88Å; L85-L161 HydrophobicContact CB-CD1 4.38Å; L85-L161 HydrophobicContact CD2-CD1 4.06Å; L85-L161 HydrophobicContact CG-CD1 4.16Å; L85-L161 CarbonylContact O-C 3.34Å; L85-L161 WeakPolarHBondContact O-CA 3.34Å; L85-V162 PolarHBondContact O-N 2.88Å; L85-I181 HydrophobicContact CD2-CG2 4Å; L85-I185 HydrophobicContact CD2-CG2 4.07Å |
| 86 | V | 98.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 115.7 | 174.2 | -174.8 | 0 | 0 | 0 | 0 | 109.5 | F67 I97 F101 V134 V135 I136 A137 V162 | F67-V86 HydrophobicContact CE2-CG1 4.32Å; F67-V86 HydrophobicContact CE2-CG2 4.38Å; F67-V86 HydrophobicContact CZ-CG1 4.37Å; V86-I97 HydrophobicContact CG1-CD1 4.04Å; V86-I97 HydrophobicContact CG1-CG2 4.2Å; V86-F101 HydrophobicContact CG2-CE2 3.96Å; V86-F101 HydrophobicContact CG2-CZ 4.21Å; V86-V134 HydrophobicContact CG2-CG1 4.29Å; V86-V135 PolarHBondContact N-O 3.18Å; V86-I136 HydrophobicContact CB-CB 4.48Å; V86-I136 HydrophobicContact CB-CG1 4.23Å; V86-I136 HydrophobicContact CB-CG2 4.19Å; V86-I136 HydrophobicContact CG1-CG2 4.35Å; V86-I136 HydrophobicContact CG2-CG1 4.44Å; V86-I136 CarbonylContact O-C 3.56Å; V86-I136 WeakPolarHBondContact O-CA 3.37Å; V86-A137 PolarHBondContact O-N 2.91Å; V86-V162 HydrophobicContact CB-CB 4.23Å; V86-V162 HydrophobicContact CG1-CB 3.99Å; V86-V162 HydrophobicContact CG1-CG1 4.11Å; V86-V162 HydrophobicContact CG2-CB 3.97Å; V86-V162 HydrophobicContact CG2-CG2 4.06Å |
| 87 | L | 96.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 137.8 | 173.9 | -61.5 | 179.3 | 0 | 0 | 0 | 110.1 | L85 A137 L142 L161 V162 D164 L169 L178 I181 F182 | L85-L87 HydrophobicContact CD1-CD2 4.01Å; L85-L87 HydrophobicContact CD2-CD2 4.23Å; L85-L87 HydrophobicContact CD2-CG 4.41Å; L85-L87 HydrophobicContact CG-CD2 4.15Å; L85-L87 HydrophobicContact CG-CG 4.25Å; L87-A137 WeakPolarHBondContact CA-O 3.29Å; L87-A137 HydrophobicContact CD2-CB 4.31Å; L87-L142 HydrophobicContact CD2-CD2 3.73Å; L87-L161 HydrophobicContact CD1-CD1 4.15Å; L87-L161 HydrophobicContact CG-CD1 4.36Å; L87-V162 PolarHBondContact N-O 3.22Å; L87-D164 PolarHBondContact O-N 3.37Å; L87-L169 HydrophobicContact CB-CD1 4.17Å; L87-L169 WeakPolarHBondContact O-CD1 3.23Å; L87-L178 HydrophobicContact CD1-CD2 3.78Å; L87-I181 HydrophobicContact CD1-CD1 4.46Å; L87-I181 HydrophobicContact CD1-CG2 4.27Å; L87-I181 HydrophobicContact CD2-CD1 4.27Å; L87-F182 HydrophobicContact CD1-CE1 4.14Å |
| 88 | T | 93.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 11% | 0.112 | C | C | . | . | trans | -149.5 | 146.1 | -178.9 | 178 | 0 | 0 | 0 | 0 | 110.8 | S90 L93 A94 I97 I136 A137 T138 P139 | T88-S90 VanDerWaalsContact C-N 3.3Å; T88-S90 PolarHBondContact O-N 3.47Å; T88-L93 HydrophobicContact CG2-CB 4.35Å; T88-L93 VanDerWaalsContact OG1-CB 3.26Å; T88-L93 WeakPolarHBondContact OG1-CB 3.39Å; T88-L93 WeakPolarHBondContact OG1-CD2 3.37Å; T88-L93 WeakPolarHBondContact OG1-CG 3.39Å; T88-A94 HydrophobicContact CG2-CB 3.63Å; T88-I97 HydrophobicContact CG2-CD1 4.44Å; T88-I136 HydrophobicContact CG2-CG2 4.39Å; T88-A137 PolarHBondContact N-O 3.49Å; T88-T138 WeakPolarHBondContact O-CA 3.25Å; T88-P139 WeakPolarHBondContact O-CD 3.39Å | ||
| 89 | P | 88.4 | Confident | 91.7 | Very high | 15 Ų | 15 | 22 Ų | 22 | 10% | 0.097 | 11% | 0.109 | C | C | . | . | S | Bend | trans | -75.7 | -15.2 | -170.2 | 31 | -38.8 | 0 | 0 | 0 | 113.9 | D164 E165 R168 L169 F174 | P89-D164 VanDerWaalsContact CD-O 3.31Å; P89-D164 WeakPolarHBondContact CD-O 3.4Å; P89-E165 HydrophobicContact CG-CB 3.75Å; P89-R168 HydrophobicContact CB-CB 4.1Å; P89-R168 HydrophobicContact CG-CB 3.97Å; P89-L169 HydrophobicContact CB-CD2 4.1Å; P89-L169 HydrophobicContact CB-CG 4.4Å; P89-F174 HydrophobicContact CB-CE2 3.99Å; P89-F174 HydrophobicContact CB-CZ 4.41Å |
| 90 | S | 85.2 | Confident | 91.9 | Very high | 6 Ų | 6 | 20.9 Ų | 20.9 | 4% | 0.042 | 10% | 0.097 | C | C | . | . | trans | -125.9 | 150.5 | -177.2 | 86.4 | 0 | 0 | 0 | 0 | 112.8 | T88 E92 L93 A94 T138 R319 | T88-S90 VanDerWaalsContact C-N 3.3Å; T88-S90 PolarHBondContact O-N 3.47Å; S90-E92 PolarHBondContact O-N 2.97Å; S90-L93 VanDerWaalsContact OG-CB 3.29Å; S90-L93 WeakPolarHBondContact OG-CB 3.4Å; S90-L93 PolarHBondContact OG-N 3.33Å; S90-L93 VanDerWaalsContact OG-N 3.08Å; S90-A94 PolarHBondContact O-N 2.83Å; S90-T138 WeakPolarHBondContact O-CG2 2.83Å; S90-R319 VanDerWaalsContact CB-O 3.26Å; S90-R319 WeakPolarHBondContact CB-O 3.24Å; S90-R319 PolarHBondContact OG-O 2.93Å | ||
| 91 | R | 85.8 | Confident | 92.2 | Very high | 87 Ų | 87 | 17.7 Ų | 17.7 | 33% | 0.328 | 8% | 0.084 | S | C | . | . | H | α-helix | trans | -66 | -37 | 178.2 | -50.7 | -178.6 | -179.9 | 170.4 | -1.8 | 110.4 | A94 F95 V116 G117 T138 | R91-A94 WeakPolarHBondContact O-CB 3.34Å; R91-A94 PolarHBondContact O-N 3.43Å; R91-F95 WeakPolarHBondContact O-CD2 3.49Å; R91-F95 PolarHBondContact O-N 2.82Å; R91-V116 HydrophobicContact CB-CB 4.02Å; R91-V116 HydrophobicContact CB-CG1 4.15Å; R91-V116 HydrophobicContact CB-CG2 4.31Å; R91-V116 HydrophobicContact CG-CB 3.94Å; R91-V116 HydrophobicContact CG-CG1 4.39Å; R91-G117 WeakPolarHBondContact CD-O 3.49Å; R91-G117 PolarHBondContact NE-O 2.73Å; R91-G117 PolarHBondContact NH1-O 2.77Å; R91-T138 HydrophobicContact CG-CG2 4.17Å |
| 92 | E | 80.6 | Confident | 92.2 | Very high | 10 Ų | 10 | 20 Ų | 20 | 5% | 0.047 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -62.4 | -46.4 | -178.2 | -74.1 | 62.6 | -121.8 | 0 | 0 | 111.6 | S90 A94 F95 Q96 Q293 R296 L321 | S90-E92 PolarHBondContact O-N 2.97Å; E92-A94 VanDerWaalsContact C-N 3.29Å; E92-A94 PolarHBondContact O-N 3.47Å; E92-F95 PolarHBondContact O-N 2.83Å; E92-Q96 PolarHBondContact O-N 3.34Å; E92-Q293 PolarHBondContact OE1-NE2 2.78Å; E92-Q293 PolarHBondContact OE1-OE1 2.94Å; E92-R296 IonicContact OE1-CZ 3.61Å; E92-R296 IonicContact OE1-NE 3.79Å; E92-R296 IonicContact OE1-NH1 2.69Å; E92-R296 PolarHBondContact OE1-NH1 3.4Å; E92-R296 IonicContact OE1-NH2 3.33Å; E92-R296 PolarHBondContact OE1-NH2 3.15Å; E92-R296 IonicContact OE2-CZ 2.64Å; E92-R296 IonicContact OE2-NH1 2.83Å; E92-R296 PolarHBondContact OE2-NH1 2.8Å; E92-R296 IonicContact OE2-NH2 3.42Å; E92-R296 PolarHBondContact OE2-NH2 3.2Å; E92-L321 HydrophobicContact CB-CD2 3.43Å; E92-L321 VanDerWaalsContact CB-CD2 3.43Å; E92-L321 HydrophobicContact CB-CG 3.75Å; E92-L321 HydrophobicContact CG-CD1 4.42Å; E92-L321 HydrophobicContact CG-CD2 3.5Å; E92-L321 VanDerWaalsContact CG-CD2 3.5Å; E92-L321 HydrophobicContact CG-CG 3.84Å |
| 93 | L | 86.6 | Confident | 92 | Very high | 5 Ų | 5 | 21.6 Ų | 21.6 | 3% | 0.026 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -65.7 | -37.1 | 176.5 | -170.2 | 43.8 | 0 | 0 | 0 | 111.1 | T88 S90 F95 Q96 I97 E165 G320 | T88-L93 HydrophobicContact CG2-CB 4.35Å; T88-L93 VanDerWaalsContact OG1-CB 3.26Å; T88-L93 WeakPolarHBondContact OG1-CB 3.39Å; T88-L93 WeakPolarHBondContact OG1-CD2 3.37Å; T88-L93 WeakPolarHBondContact OG1-CG 3.39Å; S90-L93 VanDerWaalsContact OG-CB 3.29Å; S90-L93 WeakPolarHBondContact OG-CB 3.4Å; S90-L93 PolarHBondContact OG-N 3.33Å; S90-L93 VanDerWaalsContact OG-N 3.08Å; L93-F95 VanDerWaalsContact C-N 3.34Å; L93-F95 PolarHBondContact O-N 3.18Å; L93-Q96 PolarHBondContact O-N 3.33Å; L93-I97 HydrophobicContact CD1-CD1 3.91Å; L93-I97 HydrophobicContact CD1-CG1 3.93Å; L93-I97 HydrophobicContact CG-CD1 3.78Å; L93-I97 HydrophobicContact CG-CG1 4.29Å; L93-I97 WeakPolarHBondContact O-CB 3.32Å; L93-I97 VanDerWaalsContact O-CG1 3.23Å; L93-I97 WeakPolarHBondContact O-CG1 3.2Å; L93-I97 PolarHBondContact O-N 3.15Å; L93-E165 HydrophobicContact CD2-CB 4.42Å; L93-E165 HydrophobicContact CD2-CG 3.71Å; L93-G320 VanDerWaalsContact CA-O 3.22Å; L93-G320 WeakPolarHBondContact CA-O 3.45Å; L93-G320 VanDerWaalsContact CB-O 3.31Å; L93-G320 WeakPolarHBondContact CB-O 3.17Å; L93-G320 VanDerWaalsContact CD1-O 3.27Å; L93-G320 WeakPolarHBondContact CD1-O 3.49Å; L93-G320 PolarHBondContact N-O 3.05Å |
| 94 | A | 92 | Very high | 91.7 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -59.5 | -45.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | T88 S90 R91 E92 G98 I114 V116 I136 | T88-A94 HydrophobicContact CG2-CB 3.63Å; S90-A94 PolarHBondContact O-N 2.83Å; R91-A94 WeakPolarHBondContact O-CB 3.34Å; R91-A94 PolarHBondContact O-N 3.43Å; E92-A94 VanDerWaalsContact C-N 3.29Å; E92-A94 PolarHBondContact O-N 3.47Å; A94-G98 PolarHBondContact O-N 2.81Å; A94-I114 HydrophobicContact CB-CG2 4.01Å; A94-V116 HydrophobicContact CB-CG1 3.66Å; A94-I136 HydrophobicContact CB-CG2 3.79Å; A94-I136 WeakPolarHBondContact O-CG2 3.32Å |
| 95 | F | 89.9 | Confident | 91.5 | Very high | 33 Ų | 33 | 21.6 Ų | 21.6 | 15% | 0.145 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -62.2 | -46.3 | 175 | -80.6 | -75.8 | 0 | 0 | 0 | 112.2 | R91 E92 L93 I97 G98 E99 I114 V116 R119 Q293 L297 | R91-F95 WeakPolarHBondContact O-CD2 3.49Å; R91-F95 PolarHBondContact O-N 2.82Å; E92-F95 PolarHBondContact O-N 2.83Å; L93-F95 VanDerWaalsContact C-N 3.34Å; L93-F95 PolarHBondContact O-N 3.18Å; F95-I97 PolarHBondContact O-N 3.04Å; F95-G98 PolarHBondContact O-N 2.93Å; F95-E99 WeakPolarHBondContact O-CG 3.46Å; F95-E99 PolarHBondContact O-N 3.2Å; F95-I114 HydrophobicContact CD1-CD1 3.62Å; F95-I114 HydrophobicContact CD1-CG2 4.21Å; F95-I114 HydrophobicContact CD2-CG2 4.4Å; F95-I114 HydrophobicContact CE1-CD1 4.06Å; F95-I114 HydrophobicContact CE1-CG2 4.15Å; F95-I114 HydrophobicContact CE2-CG2 4.35Å; F95-I114 HydrophobicContact CG-CD1 4.35Å; F95-I114 HydrophobicContact CG-CG2 4.32Å; F95-I114 HydrophobicContact CZ-CG2 4.23Å; F95-V116 HydrophobicContact CE2-CG2 3.81Å; F95-V116 HydrophobicContact CZ-CG2 4.17Å; F95-R119 HydrophobicContact CZ-CG 4.47Å; F95-Q293 HydrophobicContact CE2-CG 3.99Å; F95-L297 HydrophobicContact CB-CD2 4.39Å; F95-L297 HydrophobicContact CD1-CD1 4.33Å; F95-L297 HydrophobicContact CD2-CD1 4.4Å; F95-L297 HydrophobicContact CD2-CD2 4.26Å; F95-L297 HydrophobicContact CE1-CD1 4.23Å; F95-L297 HydrophobicContact CE2-CD1 4.31Å; F95-L297 HydrophobicContact CG-CD1 4.43Å; F95-L297 HydrophobicContact CG-CD2 4.26Å; F95-L297 HydrophobicContact CZ-CD1 4.21Å |
| 96 | Q | 86 | Confident | 91.1 | Very high | 28 Ų | 28 | 28.3 Ų | 28.3 | 13% | 0.131 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -64 | -43.4 | -179.4 | -176.2 | -160.1 | -49.3 | 0 | 0 | 112.7 | E92 L93 G98 E99 Q100 G320 D322 | E92-Q96 PolarHBondContact O-N 3.34Å; L93-Q96 PolarHBondContact O-N 3.33Å; Q96-G98 VanDerWaalsContact C-N 3.3Å; Q96-G98 PolarHBondContact O-N 2.82Å; Q96-E99 WeakPolarHBondContact O-CB 3.39Å; Q96-E99 PolarHBondContact O-N 2.94Å; Q96-Q100 WeakPolarHBondContact O-CG 3.48Å; Q96-Q100 PolarHBondContact O-N 3.46Å; Q96-Q100 VanDerWaalsContact O-N 3.15Å; Q96-G320 PolarHBondContact OE1-O 3.27Å; Q96-G320 VanDerWaalsContact OE1-O 3.11Å; Q96-D322 HydrophobicContact CG-CB 4.24Å |
| 97 | I | 93.2 | Very high | 90.7 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.6 | -43.9 | 174.6 | -66.9 | 167 | 0 | 0 | 0 | 109.4 | T64 F67 V86 T88 L93 F95 E99 Q100 F101 I136 D164 | T64-I97 HydrophobicContact CG2-CB 4.37Å; T64-I97 HydrophobicContact CG2-CG1 3.99Å; T64-I97 HydrophobicContact CG2-CG2 4.26Å; F67-I97 HydrophobicContact CE2-CG2 4.09Å; F67-I97 HydrophobicContact CZ-CD1 4.31Å; F67-I97 HydrophobicContact CZ-CG1 4.44Å; F67-I97 HydrophobicContact CZ-CG2 4.2Å; V86-I97 HydrophobicContact CG1-CD1 4.04Å; V86-I97 HydrophobicContact CG1-CG2 4.2Å; T88-I97 HydrophobicContact CG2-CD1 4.44Å; L93-I97 HydrophobicContact CD1-CD1 3.91Å; L93-I97 HydrophobicContact CD1-CG1 3.93Å; L93-I97 HydrophobicContact CG-CD1 3.78Å; L93-I97 HydrophobicContact CG-CG1 4.29Å; L93-I97 WeakPolarHBondContact O-CB 3.32Å; L93-I97 VanDerWaalsContact O-CG1 3.23Å; L93-I97 WeakPolarHBondContact O-CG1 3.2Å; L93-I97 PolarHBondContact O-N 3.15Å; F95-I97 PolarHBondContact O-N 3.04Å; I97-E99 VanDerWaalsContact C-N 3.33Å; I97-E99 PolarHBondContact O-N 3.04Å; I97-Q100 WeakPolarHBondContact O-CB 3.38Å; I97-Q100 PolarHBondContact O-N 2.79Å; I97-Q100 VanDerWaalsContact O-N 3.09Å; I97-F101 HydrophobicContact CG2-CD2 3.67Å; I97-F101 HydrophobicContact CG2-CE2 3.58Å; I97-F101 WeakPolarHBondContact O-CD2 3.33Å; I97-F101 PolarHBondContact O-N 3.33Å; I97-I136 HydrophobicContact CB-CG2 4.12Å; I97-I136 HydrophobicContact CG2-CG1 4.03Å; I97-I136 HydrophobicContact CG2-CG2 4.12Å; I97-D164 HydrophobicContact CD1-CB 4.21Å |
| 98 | G | 95.2 | Very high | 90.3 | Very high | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.01 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59.1 | -39.4 | 176 | 0 | 0 | 0 | 0 | 0 | 113.4 | A94 F95 Q96 Q100 F101 T102 | A94-G98 PolarHBondContact O-N 2.81Å; F95-G98 PolarHBondContact O-N 2.93Å; Q96-G98 VanDerWaalsContact C-N 3.3Å; Q96-G98 PolarHBondContact O-N 2.82Å; G98-Q100 VanDerWaalsContact C-N 3.34Å; G98-Q100 PolarHBondContact O-N 2.73Å; G98-F101 PolarHBondContact O-N 2.83Å; G98-T102 VanDerWaalsContact O-CB 3.32Å; G98-T102 WeakPolarHBondContact O-CB 3.13Å; G98-T102 PolarHBondContact O-N 2.93Å; G98-T102 PolarHBondContact O-OG1 3.18Å |
| 99 | E | 92 | Very high | 90.3 | Very high | 109 Ų | 109 | 37.9 Ų | 37.9 | 51% | 0.509 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -60.7 | -41.9 | 172.7 | -73.9 | 178.8 | 176.1 | 0 | 0 | 111.6 | F95 Q96 I97 T102 A103 | F95-E99 WeakPolarHBondContact O-CG 3.46Å; F95-E99 PolarHBondContact O-N 3.2Å; Q96-E99 WeakPolarHBondContact O-CB 3.39Å; Q96-E99 PolarHBondContact O-N 2.94Å; I97-E99 VanDerWaalsContact C-N 3.33Å; I97-E99 PolarHBondContact O-N 3.04Å; E99-T102 PolarHBondContact O-N 2.95Å; E99-A103 VanDerWaalsContact O-CB 3.29Å; E99-A103 WeakPolarHBondContact O-CB 3.14Å; E99-A103 PolarHBondContact O-N 2.95Å |
| 100 | Q | 92.5 | Very high | 90.6 | Very high | 57 Ų | 57 | 38 Ų | 38 | 27% | 0.266 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -65.1 | -46.7 | 177.5 | -63.6 | -55.5 | -62.2 | 0 | 0 | 111.9 | T64 Q96 I97 G98 T102 A103 L104 | T64-Q100 HydrophobicContact CG2-CB 4.02Å; T64-Q100 HydrophobicContact CG2-CG 3.9Å; Q96-Q100 WeakPolarHBondContact O-CG 3.48Å; Q96-Q100 PolarHBondContact O-N 3.46Å; Q96-Q100 VanDerWaalsContact O-N 3.15Å; I97-Q100 WeakPolarHBondContact O-CB 3.38Å; I97-Q100 PolarHBondContact O-N 2.79Å; I97-Q100 VanDerWaalsContact O-N 3.09Å; G98-Q100 VanDerWaalsContact C-N 3.34Å; G98-Q100 PolarHBondContact O-N 2.73Å; Q100-T102 VanDerWaalsContact C-N 3.34Å; Q100-T102 PolarHBondContact O-N 3.38Å; Q100-A103 PolarHBondContact O-N 3.1Å; Q100-L104 WeakPolarHBondContact O-CB 3.36Å; Q100-L104 WeakPolarHBondContact O-CG 3.23Å; Q100-L104 PolarHBondContact O-N 2.8Å |
| 101 | F | 96.2 | Very high | 91.2 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.1 | -45.2 | 175.3 | -85.7 | -76.6 | 0 | 0 | 0 | 111.7 | F67 A68 I71 I72 V86 I97 G98 L104 G105 L110 T112 V134 I136 | F67-F101 HydrophobicContact CD2-CE2 4.39Å; F67-F101 HydrophobicContact CD2-CZ 4.16Å; F67-F101 AromaticContact CE2-CE2 3.89Å; F67-F101 HydrophobicContact CE2-CE2 3.89Å; F67-F101 HydrophobicContact CE2-CZ 4.12Å; A68-F101 HydrophobicContact CB-CD1 4.31Å; A68-F101 HydrophobicContact CB-CE1 3.9Å; A68-F101 HydrophobicContact CB-CE2 4.13Å; A68-F101 HydrophobicContact CB-CZ 3.81Å; I71-F101 HydrophobicContact CB-CE1 4.28Å; I71-F101 HydrophobicContact CD1-CZ 4.29Å; I71-F101 HydrophobicContact CG2-CE1 3.98Å; I71-F101 HydrophobicContact CG2-CZ 4.48Å; I72-F101 HydrophobicContact CD1-CD1 3.86Å; I72-F101 HydrophobicContact CD1-CE1 4.38Å; I72-F101 HydrophobicContact CG1-CD1 3.85Å; I72-F101 HydrophobicContact CG1-CE1 4.09Å; V86-F101 HydrophobicContact CG2-CE2 3.96Å; V86-F101 HydrophobicContact CG2-CZ 4.21Å; I97-F101 HydrophobicContact CG2-CD2 3.67Å; I97-F101 HydrophobicContact CG2-CE2 3.58Å; I97-F101 WeakPolarHBondContact O-CD2 3.33Å; I97-F101 PolarHBondContact O-N 3.33Å; G98-F101 PolarHBondContact O-N 2.83Å; F101-L104 PolarHBondContact O-N 3.36Å; F101-G105 WeakPolarHBondContact O-CA 3.43Å; F101-G105 PolarHBondContact O-N 3.34Å; F101-L110 HydrophobicContact CB-CD2 3.84Å; F101-L110 HydrophobicContact CD1-CD2 4.04Å; F101-L110 HydrophobicContact CG-CD2 4.42Å; F101-L110 VanDerWaalsContact O-CD2 3.22Å; F101-L110 WeakPolarHBondContact O-CD2 3.18Å; F101-T112 HydrophobicContact CB-CG2 3.86Å; F101-V134 HydrophobicContact CD1-CB 4.48Å; F101-V134 HydrophobicContact CD1-CG1 4.21Å; F101-V134 HydrophobicContact CD1-CG2 3.95Å; F101-V134 HydrophobicContact CD2-CG1 4.14Å; F101-V134 HydrophobicContact CE1-CG1 4.12Å; F101-V134 HydrophobicContact CE1-CG2 4.04Å; F101-V134 HydrophobicContact CE2-CG1 4.03Å; F101-V134 HydrophobicContact CG-CG1 4.23Å; F101-V134 HydrophobicContact CZ-CG1 4.02Å; F101-I136 HydrophobicContact CD2-CD1 4.38Å; F101-I136 HydrophobicContact CD2-CG1 4.39Å |
| 102 | T | 94.3 | Very high | 91.7 | Very high | 63 Ų | 63 | 41.1 Ų | 41.1 | 39% | 0.387 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -63.8 | -44 | -179 | -56.2 | 0 | 0 | 0 | 0 | 111.3 | G98 E99 Q100 M106 T112 | G98-T102 VanDerWaalsContact O-CB 3.32Å; G98-T102 WeakPolarHBondContact O-CB 3.13Å; G98-T102 PolarHBondContact O-N 2.93Å; G98-T102 PolarHBondContact O-OG1 3.18Å; E99-T102 PolarHBondContact O-N 2.95Å; Q100-T102 VanDerWaalsContact C-N 3.34Å; Q100-T102 PolarHBondContact O-N 3.38Å; T102-M106 WeakPolarHBondContact O-CB 3.44Å; T102-M106 PolarHBondContact O-N 2.89Å; T102-M106 VanDerWaalsContact O-N 3.1Å; T102-T112 PolarHBondContact OG1-OG1 2.96Å |
| 103 | A | 91.1 | Very high | 92.5 | Very high | 39 Ų | 39 | 40.8 Ų | 40.8 | 32% | 0.322 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -64.7 | -44.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | V31 E99 Q100 | V31-A103 HydrophobicContact CG1-CB 4.45Å; E99-A103 VanDerWaalsContact O-CB 3.29Å; E99-A103 WeakPolarHBondContact O-CB 3.14Å; E99-A103 PolarHBondContact O-N 2.95Å; Q100-A103 PolarHBondContact O-N 3.1Å |
| 104 | L | 91.9 | Very high | 93 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -80 | -29.7 | -177.2 | -65.2 | 167.2 | 0 | 0 | 0 | 113.1 | C27 V31 L65 L69 I72 Q100 F101 | C27-L104 HydrophobicContact CB-CD2 4.27Å; V31-L104 HydrophobicContact CG2-CD2 4.22Å; L65-L104 HydrophobicContact CD2-CD1 3.49Å; L65-L104 VanDerWaalsContact CD2-CD1 3.49Å; L69-L104 HydrophobicContact CD2-CD1 3.94Å; L69-L104 HydrophobicContact CD2-CD2 4.29Å; I72-L104 HydrophobicContact CD1-CB 3.6Å; I72-L104 HydrophobicContact CD1-CD1 4.46Å; Q100-L104 WeakPolarHBondContact O-CB 3.36Å; Q100-L104 WeakPolarHBondContact O-CG 3.23Å; Q100-L104 PolarHBondContact O-N 2.8Å; F101-L104 PolarHBondContact O-N 3.36Å |
| 105 | G | 92.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -92.8 | -4.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | F101 P107 L108 G109 L110 | F101-G105 WeakPolarHBondContact O-CA 3.43Å; F101-G105 PolarHBondContact O-N 3.34Å; G105-P107 VanDerWaalsContact C-CD 3.42Å; G105-P107 VanDerWaalsContact C-N 3.31Å; G105-L108 PolarHBondContact O-N 3.31Å; G105-G109 PolarHBondContact O-N 3.48Å; G105-L110 VanDerWaalsContact O-CB 3.25Å; G105-L110 WeakPolarHBondContact O-CB 3.42Å; G105-L110 PolarHBondContact O-N 3.41Å; G105-L110 VanDerWaalsContact O-N 3.12Å |
| 106 | M | 91.1 | Very high | 93.5 | Very high | 141 Ų | 141 | 40.1 Ų | 40.1 | 70% | 0.695 | 22% | 0.222 | S | C | * | . | G | 310 helix | trans | -50 | -44.4 | 179.5 | -174.2 | -165.5 | -59.5 | 0 | 0 | 113 | T102 L108 G109 | T102-M106 WeakPolarHBondContact O-CB 3.44Å; T102-M106 PolarHBondContact O-N 2.89Å; T102-M106 VanDerWaalsContact O-N 3.1Å; M106-L108 PolarHBondContact O-N 3.45Å; M106-G109 PolarHBondContact O-N 3.22Å |
| 107 | P | 88.9 | Confident | 93.6 | Very high | 86 Ų | 86 | 39 Ų | 39 | 56% | 0.558 | 22% | 0.218 | S | C | * | . | G | 310 helix | trans | -64.3 | -22.5 | 179.7 | -23.1 | 36.3 | 0 | 0 | 0 | 114.6 | G105 | G105-P107 VanDerWaalsContact C-CD 3.42Å; G105-P107 VanDerWaalsContact C-N 3.31Å |
| 108 | L | 89.7 | Confident | 93.1 | Very high | 67 Ų | 67 | 41.8 Ų | 41.8 | 35% | 0.351 | 25% | 0.246 | S | C | . | . | G | 310 helix | trans | -90.4 | -1.4 | 176.7 | -64.5 | 178.2 | 0 | 0 | 0 | 113.1 | W23 I72 G105 M106 L110 | W23-L108 HydrophobicContact CH2-CD1 3.45Å; W23-L108 VanDerWaalsContact CH2-CD1 3.45Å; W23-L108 HydrophobicContact CH2-CD2 3.98Å; W23-L108 HydrophobicContact CH2-CG 3.59Å; W23-L108 HydrophobicContact CZ2-CD1 3.91Å; W23-L108 HydrophobicContact CZ2-CD2 4.06Å; W23-L108 HydrophobicContact CZ2-CG 4.15Å; W23-L108 HydrophobicContact CZ3-CD1 4.38Å; W23-L108 HydrophobicContact CZ3-CG 4.1Å; I72-L108 HydrophobicContact CG2-CD1 3.77Å; G105-L108 PolarHBondContact O-N 3.31Å; M106-L108 PolarHBondContact O-N 3.45Å; L108-L110 VanDerWaalsContact C-N 3.27Å; L108-L110 PolarHBondContact O-N 3.27Å |
| 109 | G | 92.7 | Very high | 92.7 | Very high | 48 Ų | 48 | 44.7 Ų | 44.7 | 50% | 0.495 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.4 | 36.1 | -168.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | G105 M106 R111 | G105-G109 PolarHBondContact O-N 3.48Å; M106-G109 PolarHBondContact O-N 3.22Å; G109-R111 PolarHBondContact O-N 3.11Å |
| 110 | L | 95.6 | Very high | 92.6 | Very high | 18 Ų | 18 | 43.6 Ų | 43.6 | 9% | 0.094 | 26% | 0.255 | C | S | . | . | trans | -58 | 119 | -178.8 | -173.4 | 78.9 | 0 | 0 | 0 | 111.1 | I72 L75 F101 G105 L108 T112 H133 V134 | I72-L110 HydrophobicContact CG1-CD2 4.44Å; L75-L110 HydrophobicContact CD2-CD1 3.16Å; F101-L110 HydrophobicContact CB-CD2 3.84Å; F101-L110 HydrophobicContact CD1-CD2 4.04Å; F101-L110 HydrophobicContact CG-CD2 4.42Å; F101-L110 VanDerWaalsContact O-CD2 3.22Å; F101-L110 WeakPolarHBondContact O-CD2 3.18Å; G105-L110 VanDerWaalsContact O-CB 3.25Å; G105-L110 WeakPolarHBondContact O-CB 3.42Å; G105-L110 PolarHBondContact O-N 3.41Å; G105-L110 VanDerWaalsContact O-N 3.12Å; L108-L110 VanDerWaalsContact C-N 3.27Å; L108-L110 PolarHBondContact O-N 3.27Å; L110-T112 HydrophobicContact CD2-CG2 3.7Å; L110-T112 HydrophobicContact CG-CG2 4.03Å; L110-H133 HydrophobicContact CD1-CB 3.73Å; L110-V134 HydrophobicContact CD1-CG2 4.15Å; L110-V134 HydrophobicContact CD2-CG2 4.39Å | ||
| 111 | R | 96.5 | Very high | 92.6 | Very high | 118 Ų | 118 | 43 Ų | 43 | 45% | 0.445 | 26% | 0.256 | S | S | . | . | trans | -89.9 | 125.2 | 171.2 | -62.3 | -171.1 | -58.3 | -71.1 | -7.7 | 109.8 | G109 Q131 P132 H133 V134 | G109-R111 PolarHBondContact O-N 3.11Å; R111-Q131 PolarHBondContact NH2-O 3.35Å; R111-P132 HydrophobicContact CB-CB 4.22Å; R111-H133 VanDerWaalsContact CZ-NE2 3.34Å; R111-H133 PolarHBondContact N-ND1 3.29Å; R111-H133 PolarHBondContact NH1-CE1 2.64Å; R111-H133 VanDerWaalsContact NH1-CE1 3.28Å; R111-H133 PolarHBondContact NH1-NE2 3.27Å; R111-H133 PolarHBondContact NH2-NE2 3.04Å; R111-H133 PolarHBondContact O-N 2.83Å; R111-V134 PolarHBondContact O-N 3.44Å | ||
| 112 | T | 97.1 | Very high | 92.4 | Very high | 40 Ų | 40 | 48 Ų | 48 | 25% | 0.245 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 148.4 | 176.7 | 65.5 | 0 | 0 | 0 | 0 | 109.8 | F101 T102 L110 V134 | F101-T112 HydrophobicContact CB-CG2 3.86Å; T102-T112 PolarHBondContact OG1-OG1 2.96Å; L110-T112 HydrophobicContact CD2-CG2 3.7Å; L110-T112 HydrophobicContact CG-CG2 4.03Å; T112-V134 CarbonylContact C-O 3.3Å; T112-V134 VanDerWaalsContact CA-O 3.28Å; T112-V134 WeakPolarHBondContact CA-O 3.29Å; T112-V134 HydrophobicContact CG2-CB 4.3Å |
| 113 | S | 97.4 | Very high | 92.4 | Very high | 3 Ų | 3 | 49.6 Ų | 49.6 | 2% | 0.021 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 140.5 | 169.4 | 173 | 0 | 0 | 0 | 0 | 110.1 | I115 E127 V134 I136 | S113-I115 VanDerWaalsContact OG-CD1 3.22Å; S113-I115 WeakPolarHBondContact OG-CD1 3.39Å; S113-E127 WeakPolarHBondContact OG-CB 3.29Å; S113-E127 PolarHBondContact OG-OE2 3.29Å; S113-V134 PolarHBondContact N-O 3.25Å; S113-I136 PolarHBondContact O-N 3.17Å |
| 114 | I | 97.4 | Very high | 92.6 | Very high | 24 Ų | 24 | 47.8 Ų | 47.8 | 12% | 0.123 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 108.2 | -178.6 | -63.1 | 158.9 | 0 | 0 | 0 | 109.1 | A94 F95 V116 R119 I136 | A94-I114 HydrophobicContact CB-CG2 4.01Å; F95-I114 HydrophobicContact CD1-CD1 3.62Å; F95-I114 HydrophobicContact CD1-CG2 4.21Å; F95-I114 HydrophobicContact CD2-CG2 4.4Å; F95-I114 HydrophobicContact CE1-CD1 4.06Å; F95-I114 HydrophobicContact CE1-CG2 4.15Å; F95-I114 HydrophobicContact CE2-CG2 4.35Å; F95-I114 HydrophobicContact CG-CD1 4.35Å; F95-I114 HydrophobicContact CG-CG2 4.32Å; F95-I114 HydrophobicContact CZ-CG2 4.23Å; I114-V116 HydrophobicContact CG2-CG1 3.85Å; I114-V116 HydrophobicContact CG2-CG2 4.15Å; I114-R119 PolarHBondContact O-NH1 3.3Å; I114-I136 CarbonylContact C-O 3.58Å; I114-I136 VanDerWaalsContact CA-O 3.28Å; I114-I136 WeakPolarHBondContact CA-O 3.4Å |
| 115 | I | 97.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 96.2 | -172.3 | -53 | -62 | 0 | 0 | 0 | 110.6 | S113 Q124 L128 V135 I136 A137 T138 R141 L142 | S113-I115 VanDerWaalsContact OG-CD1 3.22Å; S113-I115 WeakPolarHBondContact OG-CD1 3.39Å; I115-Q124 HydrophobicContact CD1-CB 3.84Å; I115-Q124 HydrophobicContact CD1-CG 4.02Å; I115-L128 HydrophobicContact CD1-CD1 4.07Å; I115-L128 HydrophobicContact CD1-CD2 4.18Å; I115-L128 HydrophobicContact CD1-CG 3.83Å; I115-L128 HydrophobicContact CG1-CD1 4.4Å; I115-L128 HydrophobicContact CG1-CD2 4.12Å; I115-L128 HydrophobicContact CG1-CG 4.28Å; I115-V135 HydrophobicContact CG1-CG1 3.8Å; I115-I136 PolarHBondContact N-O 2.83Å; I115-A137 HydrophobicContact CB-CB 3.85Å; I115-A137 VanDerWaalsContact O-CA 3.24Å; I115-A137 WeakPolarHBondContact O-CA 3.37Å; I115-A137 WeakPolarHBondContact O-CB 3.27Å; I115-T138 PolarHBondContact O-N 3.12Å; I115-R141 HydrophobicContact CG2-CB 4.32Å; I115-R141 HydrophobicContact CG2-CG 3.72Å; I115-L142 HydrophobicContact CG2-CB 4.5Å; I115-L142 HydrophobicContact CG2-CD1 4.14Å |
| 116 | V | 94.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 30% | 0.302 | C | S | . | . | trans | -143 | 150.3 | -171.5 | -61.2 | 0 | 0 | 0 | 0 | 112.3 | R91 A94 F95 I114 R119 Q124 T138 | R91-V116 HydrophobicContact CB-CB 4.02Å; R91-V116 HydrophobicContact CB-CG1 4.15Å; R91-V116 HydrophobicContact CB-CG2 4.31Å; R91-V116 HydrophobicContact CG-CB 3.94Å; R91-V116 HydrophobicContact CG-CG1 4.39Å; A94-V116 HydrophobicContact CB-CG1 3.66Å; F95-V116 HydrophobicContact CE2-CG2 3.81Å; F95-V116 HydrophobicContact CZ-CG2 4.17Å; I114-V116 HydrophobicContact CG2-CG1 3.85Å; I114-V116 HydrophobicContact CG2-CG2 4.15Å; V116-R119 HydrophobicContact CG2-CG 4.03Å; V116-Q124 PolarHBondContact O-NE2 3.1Å; V116-Q124 PolarHBondContact O-OE1 3.43Å; V116-T138 HydrophobicContact CG1-CG2 3.96Å | ||
| 117 | G | 87.8 | Confident | 93 | Very high | 6 Ų | 6 | 49.8 Ų | 49.8 | 6% | 0.062 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | 154.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | R91 R119 | R91-G117 WeakPolarHBondContact CD-O 3.49Å; R91-G117 PolarHBondContact NE-O 2.73Å; R91-G117 PolarHBondContact NH1-O 2.77Å; G117-R119 PolarHBondContact O-N 3.44Å |
| 118 | G | 82.8 | Confident | 93.3 | Very high | 57 Ų | 57 | 45.7 Ų | 45.7 | 59% | 0.588 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.1 | -0.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 119 | R | 87.8 | Confident | 93.5 | Very high | 62 Ų | 62 | 45.3 Ų | 45.3 | 23% | 0.234 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -94.5 | 162.3 | 158.4 | -68.9 | -172 | 73.1 | -153.9 | -5 | 110.1 | F95 I114 V116 G117 S121 E123 Q124 E127 | F95-R119 HydrophobicContact CZ-CG 4.47Å; I114-R119 PolarHBondContact O-NH1 3.3Å; V116-R119 HydrophobicContact CG2-CG 4.03Å; G117-R119 PolarHBondContact O-N 3.44Å; R119-S121 PolarHBondContact O-N 3.3Å; R119-E123 IonicContact NH2-OE2 3.64Å; R119-Q124 HydrophobicContact CB-CG 4.37Å; R119-Q124 VanDerWaalsContact CB-NE2 3.34Å; R119-Q124 PolarHBondContact O-NE2 3.2Å; R119-E127 IonicContact CZ-OE1 3.73Å; R119-E127 IonicContact NH1-OE1 2.72Å; R119-E127 PolarHBondContact NH1-OE1 3.2Å; R119-E127 VanDerWaalsContact NH1-OE1 3.14Å; R119-E127 IonicContact NH1-OE2 2.98Å; R119-E127 PolarHBondContact NH1-OE2 2.95Å; R119-E127 VanDerWaalsContact NH1-OE2 3.13Å; R119-E127 IonicContact NH2-OE1 3.41Å; R119-E127 PolarHBondContact NH2-OE1 2.94Å |
| 120 | D | 89.1 | Confident | 93.6 | Very high | 87 Ų | 87 | 49.8 Ų | 49.8 | 47% | 0.465 | 27% | 0.265 | S | S | . | . | trans | -61.1 | 133.3 | 176.2 | -176.2 | -92.5 | 0 | 0 | 0 | 110.7 | I122 E123 Q124 | D120-I122 WeakPolarHBondContact OD1-CA 3.36Å; D120-I122 WeakPolarHBondContact OD1-CB 2.89Å; D120-I122 PolarHBondContact OD1-N 2.92Å; D120-E123 HydrophobicContact CB-CB 3.99Å; D120-E123 PolarHBondContact OD1-N 3.17Å; D120-Q124 WeakPolarHBondContact O-CG 2.97Å; D120-Q124 PolarHBondContact O-N 3.2Å; D120-Q124 PolarHBondContact O-NE2 2.91Å | ||
| 121 | S | 91.4 | Very high | 93.6 | Very high | 43 Ų | 43 | 54.1 Ų | 54.1 | 30% | 0.301 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -81.5 | -22.2 | -174.3 | -155.2 | 0 | 0 | 0 | 0 | 112.8 | R119 A125 R141 H145 | R119-S121 PolarHBondContact O-N 3.3Å; S121-A125 PolarHBondContact O-N 3.47Å; S121-R141 PolarHBondContact OG-NH1 3.44Å; S121-R141 VanDerWaalsContact OG-NH1 3.07Å; S121-H145 PolarHBondContact O-CE1 2.86Å |
| 122 | I | 91.9 | Very high | 93.6 | Very high | 107 Ų | 107 | 48.8 Ų | 48.8 | 55% | 0.549 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -81.2 | -42.6 | 179.5 | -62.7 | 170.1 | 0 | 0 | 0 | 108.7 | D120 A125 K126 | D120-I122 WeakPolarHBondContact OD1-CA 3.36Å; D120-I122 WeakPolarHBondContact OD1-CB 2.89Å; D120-I122 PolarHBondContact OD1-N 2.92Å; I122-A125 PolarHBondContact O-N 3.39Å; I122-K126 WeakPolarHBondContact O-CG 3.46Å; I122-K126 PolarHBondContact O-N 2.8Å |
| 123 | E | 94.4 | Very high | 93.7 | Very high | 96 Ų | 96 | 47.6 Ų | 47.6 | 45% | 0.449 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -57 | -49.7 | 173.7 | -170.6 | -178.3 | -153.3 | 0 | 0 | 111.5 | R119 D120 A125 K126 E127 | R119-E123 IonicContact NH2-OE2 3.64Å; D120-E123 HydrophobicContact CB-CB 3.99Å; D120-E123 PolarHBondContact OD1-N 3.17Å; E123-A125 VanDerWaalsContact C-N 3.28Å; E123-A125 PolarHBondContact O-N 2.89Å; E123-K126 WeakPolarHBondContact O-CB 3.07Å; E123-K126 PolarHBondContact O-N 2.97Å; E123-E127 PolarHBondContact O-N 2.74Å |
| 124 | Q | 95.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.7 | -34.7 | 176.5 | -77.1 | 174.7 | 91.7 | 0 | 0 | 113.4 | I115 V116 R119 D120 E127 L128 H145 | I115-Q124 HydrophobicContact CD1-CB 3.84Å; I115-Q124 HydrophobicContact CD1-CG 4.02Å; V116-Q124 PolarHBondContact O-NE2 3.1Å; V116-Q124 PolarHBondContact O-OE1 3.43Å; R119-Q124 HydrophobicContact CB-CG 4.37Å; R119-Q124 VanDerWaalsContact CB-NE2 3.34Å; R119-Q124 PolarHBondContact O-NE2 3.2Å; D120-Q124 WeakPolarHBondContact O-CG 2.97Å; D120-Q124 PolarHBondContact O-N 3.2Å; D120-Q124 PolarHBondContact O-NE2 2.91Å; Q124-E127 PolarHBondContact O-N 3.5Å; Q124-L128 WeakPolarHBondContact O-CG 3.4Å; Q124-L128 PolarHBondContact O-N 3Å; Q124-H145 WeakPolarHBondContact CB-NE2 3.44Å |
| 125 | A | 93.3 | Very high | 93.8 | Very high | 9 Ų | 9 | 46.3 Ų | 46.3 | 7% | 0.074 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -69 | -36.2 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | S121 I122 E123 L128 A129 | S121-A125 PolarHBondContact O-N 3.47Å; I122-A125 PolarHBondContact O-N 3.39Å; E123-A125 VanDerWaalsContact C-N 3.28Å; E123-A125 PolarHBondContact O-N 2.89Å; A125-L128 PolarHBondContact O-N 3.49Å; A125-A129 WeakPolarHBondContact O-CB 3.45Å; A125-A129 PolarHBondContact O-N 3.09Å |
| 126 | K | 94.6 | Very high | 93.8 | Very high | 136 Ų | 136 | 46.3 Ų | 46.3 | 59% | 0.591 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -65.9 | -45.6 | 173 | -68 | 176.4 | 179.7 | -177.8 | 0 | 111.1 | I122 E123 L128 A129 E130 | I122-K126 WeakPolarHBondContact O-CG 3.46Å; I122-K126 PolarHBondContact O-N 2.8Å; E123-K126 WeakPolarHBondContact O-CB 3.07Å; E123-K126 PolarHBondContact O-N 2.97Å; K126-L128 VanDerWaalsContact C-N 3.27Å; K126-L128 PolarHBondContact O-N 3.33Å; K126-A129 WeakPolarHBondContact O-CB 3.26Å; K126-A129 PolarHBondContact O-N 3.49Å; K126-E130 WeakPolarHBondContact O-CG 3.37Å; K126-E130 PolarHBondContact O-N 3.43Å |
| 127 | E | 96 | Very high | 94 | Very high | 39 Ų | 39 | 46.3 Ų | 46.3 | 18% | 0.182 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -55.5 | -42.2 | 175.2 | -69.8 | 175.9 | -162.2 | 0 | 0 | 111.5 | S113 R119 E123 Q124 E130 P132 | S113-E127 WeakPolarHBondContact OG-CB 3.29Å; S113-E127 PolarHBondContact OG-OE2 3.29Å; R119-E127 IonicContact CZ-OE1 3.73Å; R119-E127 IonicContact NH1-OE1 2.72Å; R119-E127 PolarHBondContact NH1-OE1 3.2Å; R119-E127 VanDerWaalsContact NH1-OE1 3.14Å; R119-E127 IonicContact NH1-OE2 2.98Å; R119-E127 PolarHBondContact NH1-OE2 2.95Å; R119-E127 VanDerWaalsContact NH1-OE2 3.13Å; R119-E127 IonicContact NH2-OE1 3.41Å; R119-E127 PolarHBondContact NH2-OE1 2.94Å; E123-E127 PolarHBondContact O-N 2.74Å; Q124-E127 PolarHBondContact O-N 3.5Å; E127-E130 PolarHBondContact O-N 3.41Å; E127-P132 VanDerWaalsContact O-CD 3.24Å; E127-P132 WeakPolarHBondContact O-CD 3.45Å |
| 128 | L | 96.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65.9 | -40.6 | 175.5 | -74.4 | 169 | 0 | 0 | 0 | 112.8 | I115 Q124 A125 K126 E130 Q131 V135 H145 W154 F155 | I115-L128 HydrophobicContact CD1-CD1 4.07Å; I115-L128 HydrophobicContact CD1-CD2 4.18Å; I115-L128 HydrophobicContact CD1-CG 3.83Å; I115-L128 HydrophobicContact CG1-CD1 4.4Å; I115-L128 HydrophobicContact CG1-CD2 4.12Å; I115-L128 HydrophobicContact CG1-CG 4.28Å; Q124-L128 WeakPolarHBondContact O-CG 3.4Å; Q124-L128 PolarHBondContact O-N 3Å; A125-L128 PolarHBondContact O-N 3.49Å; K126-L128 VanDerWaalsContact C-N 3.27Å; K126-L128 PolarHBondContact O-N 3.33Å; L128-E130 PolarHBondContact O-N 3.39Å; L128-Q131 PolarHBondContact O-N 2.95Å; L128-V135 HydrophobicContact CD2-CG1 4.15Å; L128-V135 HydrophobicContact CD2-CG2 3.9Å; L128-H145 HydrophobicContact CD1-CB 4.09Å; L128-W154 HydrophobicContact CB-CD2 4.17Å; L128-W154 HydrophobicContact CB-CZ2 4.14Å; L128-W154 HydrophobicContact CD1-CD2 4.44Å; L128-W154 HydrophobicContact CD1-CE3 4.08Å; L128-W154 HydrophobicContact CD1-CH2 4.03Å; L128-W154 HydrophobicContact CD1-CZ2 4.39Å; L128-W154 HydrophobicContact CD1-CZ3 3.88Å; L128-F155 HydrophobicContact CD2-CZ 4.27Å |
| 129 | A | 93.5 | Very high | 94.9 | Very high | 59 Ų | 59 | 44 Ų | 44 | 49% | 0.488 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -65.4 | -26.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | A125 K126 Q131 | A125-A129 WeakPolarHBondContact O-CB 3.45Å; A125-A129 PolarHBondContact O-N 3.09Å; K126-A129 WeakPolarHBondContact O-CB 3.26Å; K126-A129 PolarHBondContact O-N 3.49Å; A129-Q131 PolarHBondContact O-N 2.96Å |
| 130 | E | 95.2 | Very high | 95.2 | Very high | 141 Ų | 141 | 42.1 Ų | 42.1 | 66% | 0.659 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | -0.7 | 172.9 | -70.1 | 175.4 | 179.9 | 0 | 0 | 113.8 | K126 E127 L128 | K126-E130 WeakPolarHBondContact O-CG 3.37Å; K126-E130 PolarHBondContact O-N 3.43Å; E127-E130 PolarHBondContact O-N 3.41Å; L128-E130 PolarHBondContact O-N 3.39Å |
| 131 | Q | 95.4 | Very high | 95.5 | Very high | 110 Ų | 110 | 40.7 Ų | 40.7 | 51% | 0.514 | 21% | 0.212 | S | C | . | . | trans | 50.6 | 68.1 | 177.2 | -57.5 | -171.4 | 30.8 | 0 | 0 | 113.4 | R111 L128 A129 | R111-Q131 PolarHBondContact NH2-O 3.35Å; L128-Q131 PolarHBondContact O-N 2.95Å; A129-Q131 PolarHBondContact O-N 2.96Å | ||
| 132 | P | 97 | Very high | 95.8 | Very high | 6 Ų | 6 | 38.6 Ų | 38.6 | 4% | 0.039 | 20% | 0.198 | C | C | . | . | trans | -69.5 | 148 | 176.6 | 30.8 | -34.5 | 0 | 0 | 0 | 110 | G81 I82 R111 E127 V134 V135 | G81-P132 CarbonylContact O-C 3.51Å; G81-P132 VanDerWaalsContact O-C 3.29Å; I82-P132 VanDerWaalsContact CA-O 3.28Å; I82-P132 WeakPolarHBondContact CA-O 3.38Å; I82-P132 HydrophobicContact CG1-CG 4.46Å; I82-P132 WeakPolarHBondContact CG1-O 3.47Å; R111-P132 HydrophobicContact CB-CB 4.22Å; E127-P132 VanDerWaalsContact O-CD 3.24Å; E127-P132 WeakPolarHBondContact O-CD 3.45Å; P132-V134 VanDerWaalsContact C-N 3.32Å; P132-V134 PolarHBondContact O-N 3.3Å; P132-V135 HydrophobicContact CG-CG2 3.83Å | ||
| 133 | H | 98.1 | Very high | 96 | Very high | 15 Ų | 15 | 33.8 Ų | 33.8 | 7% | 0.069 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -60.2 | -40.6 | -179.6 | -54 | 140.7 | 0 | 0 | 0 | 113.2 | L75 Y80 G81 F83 A84 L110 R111 | L75-H133 HydrophobicContact CD1-CB 4.37Å; L75-H133 HydrophobicContact CD2-CB 3.64Å; Y80-H133 PolarHBondContact O-CD2 3.07Å; G81-H133 WeakPolarHBondContact O-CA 3.3Å; G81-H133 PolarHBondContact O-N 3.38Å; F83-H133 WeakPolarHBondContact CB-O 3.29Å; F83-H133 PolarHBondContact N-O 3.02Å; A84-H133 PolarHBondContact N-O 3.02Å; A84-H133 VanDerWaalsContact N-O 3.15Å; L110-H133 HydrophobicContact CD1-CB 3.73Å; R111-H133 VanDerWaalsContact CZ-NE2 3.34Å; R111-H133 PolarHBondContact N-ND1 3.29Å; R111-H133 PolarHBondContact NH1-CE1 2.64Å; R111-H133 VanDerWaalsContact NH1-CE1 3.28Å; R111-H133 PolarHBondContact NH1-NE2 3.27Å; R111-H133 PolarHBondContact NH2-NE2 3.04Å; R111-H133 PolarHBondContact O-N 2.83Å |
| 134 | V | 98.4 | Very high | 96 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 124.2 | -179.2 | -173.6 | 0 | 0 | 0 | 0 | 110 | A84 V86 F101 L110 R111 T112 S113 P132 I136 | A84-V134 HydrophobicContact CB-CG1 4.28Å; A84-V134 HydrophobicContact CB-CG2 4.32Å; A84-V134 WeakPolarHBondContact O-CA 3.31Å; V86-V134 HydrophobicContact CG2-CG1 4.29Å; F101-V134 HydrophobicContact CD1-CB 4.48Å; F101-V134 HydrophobicContact CD1-CG1 4.21Å; F101-V134 HydrophobicContact CD1-CG2 3.95Å; F101-V134 HydrophobicContact CD2-CG1 4.14Å; F101-V134 HydrophobicContact CE1-CG1 4.12Å; F101-V134 HydrophobicContact CE1-CG2 4.04Å; F101-V134 HydrophobicContact CE2-CG1 4.03Å; F101-V134 HydrophobicContact CG-CG1 4.23Å; F101-V134 HydrophobicContact CZ-CG1 4.02Å; L110-V134 HydrophobicContact CD1-CG2 4.15Å; L110-V134 HydrophobicContact CD2-CG2 4.39Å; R111-V134 PolarHBondContact O-N 3.44Å; T112-V134 CarbonylContact C-O 3.3Å; T112-V134 VanDerWaalsContact CA-O 3.28Å; T112-V134 WeakPolarHBondContact CA-O 3.29Å; T112-V134 HydrophobicContact CG2-CB 4.3Å; S113-V134 PolarHBondContact N-O 3.25Å; P132-V134 VanDerWaalsContact C-N 3.32Å; P132-V134 PolarHBondContact O-N 3.3Å; V134-I136 HydrophobicContact CB-CD1 4.35Å; V134-I136 HydrophobicContact CG1-CD1 3.73Å; V134-I136 HydrophobicContact CG1-CG1 4.12Å |
| 135 | V | 98.6 | Very high | 96 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 122.8 | 171.3 | 177.4 | 0 | 0 | 0 | 0 | 108.3 | I82 A84 L85 V86 I115 L128 P132 A137 F155 | I82-V135 HydrophobicContact CD1-CG2 4.22Å; I82-V135 HydrophobicContact CG1-CG2 4.2Å; I82-V135 HydrophobicContact CG2-CG2 3.94Å; A84-V135 PolarHBondContact O-N 2.99Å; L85-V135 CarbonylContact C-O 3.47Å; L85-V135 WeakPolarHBondContact CA-O 3.46Å; L85-V135 HydrophobicContact CD1-CB 4.12Å; L85-V135 HydrophobicContact CD1-CG1 3.92Å; V86-V135 PolarHBondContact N-O 3.18Å; I115-V135 HydrophobicContact CG1-CG1 3.8Å; L128-V135 HydrophobicContact CD2-CG1 4.15Å; L128-V135 HydrophobicContact CD2-CG2 3.9Å; P132-V135 HydrophobicContact CG-CG2 3.83Å; V135-A137 HydrophobicContact CG1-CB 4.4Å; V135-F155 HydrophobicContact CB-CE1 4.22Å; V135-F155 HydrophobicContact CG1-CE1 4.34Å; V135-F155 HydrophobicContact CG1-CZ 4.39Å; V135-F155 HydrophobicContact CG2-CE1 4.18Å |
| 136 | I | 98.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 123.7 | 174.2 | -53 | 88.6 | 0 | 0 | 0 | 108 | V86 T88 A94 I97 F101 S113 I114 I115 V134 | V86-I136 HydrophobicContact CB-CB 4.48Å; V86-I136 HydrophobicContact CB-CG1 4.23Å; V86-I136 HydrophobicContact CB-CG2 4.19Å; V86-I136 HydrophobicContact CG1-CG2 4.35Å; V86-I136 HydrophobicContact CG2-CG1 4.44Å; V86-I136 CarbonylContact O-C 3.56Å; V86-I136 WeakPolarHBondContact O-CA 3.37Å; T88-I136 HydrophobicContact CG2-CG2 4.39Å; A94-I136 HydrophobicContact CB-CG2 3.79Å; A94-I136 WeakPolarHBondContact O-CG2 3.32Å; I97-I136 HydrophobicContact CB-CG2 4.12Å; I97-I136 HydrophobicContact CG2-CG1 4.03Å; I97-I136 HydrophobicContact CG2-CG2 4.12Å; F101-I136 HydrophobicContact CD2-CD1 4.38Å; F101-I136 HydrophobicContact CD2-CG1 4.39Å; S113-I136 PolarHBondContact O-N 3.17Å; I114-I136 CarbonylContact C-O 3.58Å; I114-I136 VanDerWaalsContact CA-O 3.28Å; I114-I136 WeakPolarHBondContact CA-O 3.4Å; I115-I136 PolarHBondContact N-O 2.83Å; V134-I136 HydrophobicContact CB-CD1 4.35Å; V134-I136 HydrophobicContact CG1-CD1 3.73Å; V134-I136 HydrophobicContact CG1-CG1 4.12Å |
| 137 | A | 97.9 | Very high | 96 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 151.7 | -167.6 | 0 | 0 | 0 | 0 | 0 | 115 | L85 V86 L87 T88 I115 V135 L142 | L85-A137 HydrophobicContact CD1-CB 4.45Å; V86-A137 PolarHBondContact O-N 2.91Å; L87-A137 WeakPolarHBondContact CA-O 3.29Å; L87-A137 HydrophobicContact CD2-CB 4.31Å; T88-A137 PolarHBondContact N-O 3.49Å; I115-A137 HydrophobicContact CB-CB 3.85Å; I115-A137 VanDerWaalsContact O-CA 3.24Å; I115-A137 WeakPolarHBondContact O-CA 3.37Å; I115-A137 WeakPolarHBondContact O-CB 3.27Å; V135-A137 HydrophobicContact CG1-CB 4.4Å; A137-L142 HydrophobicContact CB-CB 3.98Å; A137-L142 HydrophobicContact CB-CD1 4.36Å; A137-L142 HydrophobicContact CB-CD2 3.97Å; A137-L142 HydrophobicContact CB-CG 4.34Å |
| 138 | T | 95.3 | Very high | 95.7 | Very high | 13 Ų | 13 | 32.9 Ų | 32.9 | 8% | 0.08 | 19% | 0.188 | C | C | . | . | trans | -88.3 | 137.7 | 160.7 | 55 | 0 | 0 | 0 | 0 | 110.1 | T88 S90 R91 I115 V116 G140 R141 L142 | T88-T138 WeakPolarHBondContact O-CA 3.25Å; S90-T138 WeakPolarHBondContact O-CG2 2.83Å; R91-T138 HydrophobicContact CG-CG2 4.17Å; I115-T138 PolarHBondContact O-N 3.12Å; V116-T138 HydrophobicContact CG1-CG2 3.96Å; T138-G140 VanDerWaalsContact C-N 3.29Å; T138-G140 PolarHBondContact O-N 3.21Å; T138-G140 VanDerWaalsContact O-N 3.15Å; T138-R141 PolarHBondContact O-N 3.35Å; T138-L142 PolarHBondContact O-N 3Å | ||
| 139 | P | 95.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -52.5 | -43.2 | -173.4 | -28.7 | 33.5 | 0 | 0 | 0 | 114.2 | T88 R141 L142 A143 L169 F174 Q177 L178 I181 | T88-P139 WeakPolarHBondContact O-CD 3.39Å; P139-R141 PolarHBondContact O-N 2.96Å; P139-L142 PolarHBondContact O-N 2.99Å; P139-A143 VanDerWaalsContact O-CB 3.29Å; P139-A143 WeakPolarHBondContact O-CB 3.47Å; P139-A143 PolarHBondContact O-N 2.97Å; P139-L169 HydrophobicContact CG-CD2 3.59Å; P139-F174 HydrophobicContact CB-CB 4.06Å; P139-F174 HydrophobicContact CB-CD1 4.01Å; P139-F174 HydrophobicContact CB-CG 4.16Å; P139-F174 HydrophobicContact CG-CB 4.19Å; P139-F174 HydrophobicContact CG-CD1 4.15Å; P139-F174 HydrophobicContact CG-CG 4.04Å; P139-Q177 HydrophobicContact CB-CB 3.93Å; P139-L178 HydrophobicContact CB-CD2 4.14Å; P139-L178 HydrophobicContact CB-CG 4.47Å; P139-L178 HydrophobicContact CG-CD2 3.97Å; P139-I181 HydrophobicContact CB-CD1 4.09Å |
| 140 | G | 94.2 | Very high | 94.7 | Very high | 24 Ų | 24 | 37.8 Ų | 37.8 | 25% | 0.247 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -49.9 | -60.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | T138 L142 A143 D144 | T138-G140 VanDerWaalsContact C-N 3.29Å; T138-G140 PolarHBondContact O-N 3.21Å; T138-G140 VanDerWaalsContact O-N 3.15Å; G140-L142 PolarHBondContact O-N 3.16Å; G140-A143 PolarHBondContact O-N 3.25Å; G140-D144 VanDerWaalsContact O-CG 3.24Å; G140-D144 PolarHBondContact O-N 3.1Å; G140-D144 VanDerWaalsContact O-N 3.1Å |
| 141 | R | 95.2 | Very high | 94.3 | Very high | 56 Ų | 56 | 40 Ų | 40 | 21% | 0.211 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -68.6 | -37.4 | -175.9 | -178.3 | 50.6 | 45.9 | 143.8 | -3.4 | 112.1 | I115 S121 T138 P139 D144 H145 | I115-R141 HydrophobicContact CG2-CB 4.32Å; I115-R141 HydrophobicContact CG2-CG 3.72Å; S121-R141 PolarHBondContact OG-NH1 3.44Å; S121-R141 VanDerWaalsContact OG-NH1 3.07Å; T138-R141 PolarHBondContact O-N 3.35Å; P139-R141 PolarHBondContact O-N 2.96Å; R141-D144 IonicContact CZ-OD2 3.66Å; R141-D144 IonicContact NE-OD2 2.78Å; R141-D144 PolarHBondContact NE-OD2 3.2Å; R141-D144 IonicContact NH2-OD2 3.82Å; R141-D144 WeakPolarHBondContact O-CB 3.19Å; R141-D144 PolarHBondContact O-N 2.87Å; R141-H145 PolarHBondContact O-CD2 2.87Å; R141-H145 PolarHBondContact O-N 3.38Å; R141-H145 VanDerWaalsContact O-N 3.16Å |
| 142 | L | 97.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.7 | -43.5 | 178.7 | -170.6 | 61.8 | 0 | 0 | 0 | 111.9 | L85 L87 I115 A137 T138 P139 G140 D144 H145 I146 F155 I181 | L85-L142 HydrophobicContact CD1-CD2 3.65Å; L85-L142 HydrophobicContact CD2-CD2 3.9Å; L85-L142 HydrophobicContact CG-CD2 4.4Å; L87-L142 HydrophobicContact CD2-CD2 3.73Å; I115-L142 HydrophobicContact CG2-CB 4.5Å; I115-L142 HydrophobicContact CG2-CD1 4.14Å; A137-L142 HydrophobicContact CB-CB 3.98Å; A137-L142 HydrophobicContact CB-CD1 4.36Å; A137-L142 HydrophobicContact CB-CD2 3.97Å; A137-L142 HydrophobicContact CB-CG 4.34Å; T138-L142 PolarHBondContact O-N 3Å; P139-L142 PolarHBondContact O-N 2.99Å; G140-L142 PolarHBondContact O-N 3.16Å; L142-D144 VanDerWaalsContact C-N 3.33Å; L142-D144 PolarHBondContact O-N 2.98Å; L142-H145 PolarHBondContact O-N 2.99Å; L142-I146 HydrophobicContact CG-CD1 4.04Å; L142-I146 WeakPolarHBondContact O-CG1 3.42Å; L142-I146 PolarHBondContact O-N 2.87Å; L142-F155 HydrophobicContact CD1-CE2 3.88Å; L142-F155 HydrophobicContact CD1-CZ 3.67Å; L142-F155 HydrophobicContact CD2-CE2 4.46Å; L142-F155 HydrophobicContact CD2-CZ 4.35Å; L142-F155 HydrophobicContact CG-CE2 4.4Å; L142-F155 HydrophobicContact CG-CZ 4.47Å; L142-I181 HydrophobicContact CB-CD1 4.16Å; L142-I181 HydrophobicContact CB-CG1 4.49Å; L142-I181 HydrophobicContact CD2-CD1 4Å; L142-I181 HydrophobicContact CD2-CG1 4.07Å; L142-I181 HydrophobicContact CD2-CG2 4.21Å; L142-I181 HydrophobicContact CG-CD1 4.34Å; L142-I181 HydrophobicContact CG-CG1 4.25Å |
| 143 | A | 95.9 | Very high | 93.6 | Very high | 6 Ų | 6 | 43.5 Ų | 43.5 | 5% | 0.05 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60.8 | -42 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | P139 G140 H145 I146 V147 Q177 I181 | P139-A143 VanDerWaalsContact O-CB 3.29Å; P139-A143 WeakPolarHBondContact O-CB 3.47Å; P139-A143 PolarHBondContact O-N 2.97Å; G140-A143 PolarHBondContact O-N 3.25Å; A143-H145 VanDerWaalsContact C-N 3.28Å; A143-H145 PolarHBondContact O-N 3.23Å; A143-I146 PolarHBondContact O-N 2.8Å; A143-V147 WeakPolarHBondContact O-CB 3.43Å; A143-V147 VanDerWaalsContact O-CG2 3.31Å; A143-V147 WeakPolarHBondContact O-CG2 3.42Å; A143-V147 PolarHBondContact O-N 2.82Å; A143-Q177 HydrophobicContact CB-CB 3.76Å; A143-Q177 HydrophobicContact CB-CG 3.95Å; A143-I181 HydrophobicContact CB-CG1 4.42Å |
| 144 | D | 94.8 | Very high | 93.4 | Very high | 80 Ų | 80 | 44 Ų | 44 | 43% | 0.428 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -54.8 | -45 | 174.1 | -62.4 | -21.9 | 0 | 0 | 0 | 111.4 | G140 R141 L142 S148 | G140-D144 VanDerWaalsContact O-CG 3.24Å; G140-D144 PolarHBondContact O-N 3.1Å; G140-D144 VanDerWaalsContact O-N 3.1Å; R141-D144 IonicContact CZ-OD2 3.66Å; R141-D144 IonicContact NE-OD2 2.78Å; R141-D144 PolarHBondContact NE-OD2 3.2Å; R141-D144 IonicContact NH2-OD2 3.82Å; R141-D144 WeakPolarHBondContact O-CB 3.19Å; R141-D144 PolarHBondContact O-N 2.87Å; L142-D144 VanDerWaalsContact C-N 3.33Å; L142-D144 PolarHBondContact O-N 2.98Å; D144-S148 VanDerWaalsContact O-CB 3.22Å; D144-S148 WeakPolarHBondContact O-CB 3.44Å; D144-S148 PolarHBondContact O-N 2.79Å; D144-S148 PolarHBondContact O-OG 2.84Å |
| 145 | H | 96 | Very high | 93.2 | Very high | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -65.7 | -44.6 | 178 | -80.1 | -75.9 | 0 | 0 | 0 | 112.6 | S121 Q124 L128 R141 L142 A143 S148 R149 W154 | S121-H145 PolarHBondContact O-CE1 2.86Å; Q124-H145 WeakPolarHBondContact CB-NE2 3.44Å; L128-H145 HydrophobicContact CD1-CB 4.09Å; R141-H145 PolarHBondContact O-CD2 2.87Å; R141-H145 PolarHBondContact O-N 3.38Å; R141-H145 VanDerWaalsContact O-N 3.16Å; L142-H145 PolarHBondContact O-N 2.99Å; A143-H145 VanDerWaalsContact C-N 3.28Å; A143-H145 PolarHBondContact O-N 3.23Å; H145-S148 PolarHBondContact O-OG 3.46Å; H145-R149 WeakPolarHBondContact O-CB 3.29Å; H145-R149 PolarHBondContact O-N 2.95Å; H145-R149 VanDerWaalsContact O-N 3.16Å; H145-W154 HydrophobicContact CB-CH2 4.18Å; H145-W154 HydrophobicContact CB-CZ3 3.94Å |
| 146 | I | 94.6 | Very high | 92.9 | Very high | 11 Ų | 11 | 46.1 Ų | 46.1 | 6% | 0.056 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.2 | -46 | 179.1 | -74.1 | 172.4 | 0 | 0 | 0 | 111.3 | L142 A143 R149 S150 F155 I181 K184 | L142-I146 HydrophobicContact CG-CD1 4.04Å; L142-I146 WeakPolarHBondContact O-CG1 3.42Å; L142-I146 PolarHBondContact O-N 2.87Å; A143-I146 PolarHBondContact O-N 2.8Å; I146-R149 CarbonylContact O-C 3.53Å; I146-R149 VanDerWaalsContact O-C 3.3Å; I146-R149 PolarHBondContact O-N 3.24Å; I146-S150 WeakPolarHBondContact O-CA 3.41Å; I146-S150 PolarHBondContact O-N 2.74Å; I146-F155 HydrophobicContact CD1-CD2 4.13Å; I146-F155 HydrophobicContact CD1-CE2 3.97Å; I146-F155 HydrophobicContact CG1-CE2 4.16Å; I146-I181 HydrophobicContact CD1-CB 4.27Å; I146-I181 HydrophobicContact CD1-CG1 3.83Å; I146-I181 HydrophobicContact CD1-CG2 4.45Å; I146-K184 HydrophobicContact CG2-CB 4.29Å; I146-K184 HydrophobicContact CG2-CG 3.62Å |
| 147 | V | 91.8 | Very high | 92.7 | Very high | 94 Ų | 94 | 53.7 Ų | 53.7 | 57% | 0.57 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -70.4 | -42.7 | -177.7 | 173 | 0 | 0 | 0 | 0 | 110.9 | A143 R149 | A143-V147 WeakPolarHBondContact O-CB 3.43Å; A143-V147 VanDerWaalsContact O-CG2 3.31Å; A143-V147 WeakPolarHBondContact O-CG2 3.42Å; A143-V147 PolarHBondContact O-N 2.82Å; V147-R149 PolarHBondContact O-N 3.25Å |
| 148 | S | 90.2 | Very high | 92.6 | Very high | 75 Ų | 75 | 53.8 Ų | 53.8 | 52% | 0.524 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -70.4 | -17 | 179.7 | 61 | 0 | 0 | 0 | 0 | 114.2 | D144 H145 | D144-S148 VanDerWaalsContact O-CB 3.22Å; D144-S148 WeakPolarHBondContact O-CB 3.44Å; D144-S148 PolarHBondContact O-N 2.79Å; D144-S148 PolarHBondContact O-OG 2.84Å; H145-S148 PolarHBondContact O-OG 3.46Å |
| 149 | R | 90.4 | Very high | 92.6 | Very high | 91 Ų | 91 | 58.4 Ų | 58.4 | 34% | 0.343 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -135 | 57.4 | -179.6 | -67.2 | 168.4 | 179.7 | 73.1 | -1 | 109.6 | H145 I146 V147 E151 E152 W154 | H145-R149 WeakPolarHBondContact O-CB 3.29Å; H145-R149 PolarHBondContact O-N 2.95Å; H145-R149 VanDerWaalsContact O-N 3.16Å; I146-R149 CarbonylContact O-C 3.53Å; I146-R149 VanDerWaalsContact O-C 3.3Å; I146-R149 PolarHBondContact O-N 3.24Å; V147-R149 PolarHBondContact O-N 3.25Å; R149-E151 PolarHBondContact O-N 3.43Å; R149-E151 VanDerWaalsContact O-N 3.08Å; R149-E152 HydrophobicContact CB-CB 4.24Å; R149-E152 HydrophobicContact CB-CG 3.82Å; R149-E152 WeakPolarHBondContact O-CB 3.3Å; R149-E152 PolarHBondContact O-N 3.35Å; R149-W154 HydrophobicContact CB-CH2 3.99Å; R149-W154 HydrophobicContact CB-CZ2 4.46Å; R149-W154 HydrophobicContact CG-CH2 4.49Å |
| 150 | S | 79.7 | Confident | 92.7 | Very high | 71 Ų | 71 | 58.4 Ų | 58.4 | 50% | 0.497 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -17.5 | -173.5 | 59.7 | 0 | 0 | 0 | 0 | 114.3 | I146 K184 | I146-S150 WeakPolarHBondContact O-CA 3.41Å; I146-S150 PolarHBondContact O-N 2.74Å; S150-K184 PolarHBondContact O-NZ 3.26Å |
| 151 | E | 85.5 | Confident | 92.8 | Very high | 188 Ų | 188 | 57.3 Ų | 57.3 | 88% | 0.879 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | -24.6 | 174 | -61.7 | -177.4 | 177.5 | 0 | 0 | 112.8 | R149 | R149-E151 PolarHBondContact O-N 3.43Å; R149-E151 VanDerWaalsContact O-N 3.08Å |
| 152 | E | 87.5 | Confident | 92.9 | Very high | 95 Ų | 95 | 54.6 Ų | 54.6 | 44% | 0.444 | 28% | 0.279 | S | S | . | . | trans | -71.6 | 135.1 | 176.9 | -66.2 | -72.8 | 168 | 0 | 0 | 110.3 | R149 W154 | R149-E152 HydrophobicContact CB-CB 4.24Å; R149-E152 HydrophobicContact CB-CG 3.82Å; R149-E152 WeakPolarHBondContact O-CB 3.3Å; R149-E152 PolarHBondContact O-N 3.35Å; E152-W154 HydrophobicContact CB-CD2 3.93Å; E152-W154 HydrophobicContact CB-CE3 4.34Å; E152-W154 HydrophobicContact CB-CG 4.45Å; E152-W154 HydrophobicContact CB-CH2 4.13Å; E152-W154 HydrophobicContact CB-CZ2 3.7Å; E152-W154 HydrophobicContact CB-CZ3 4.42Å; E152-W154 HydrophobicContact CG-CH2 4.28Å; E152-W154 HydrophobicContact CG-CZ2 3.61Å; E152-W154 PolarHBondContact OE2-NE1 3.23Å | ||
| 153 | N | 90.3 | Very high | 92.7 | Very high | 94 Ų | 94 | 54.6 Ų | 54.6 | 50% | 0.503 | 28% | 0.279 | S | S | . | . | trans | -122.5 | 46.8 | -179.3 | -156.4 | 5.7 | 0 | 0 | 0 | 111.5 | F155 A156 | N153-F155 PolarHBondContact O-N 3.04Å; N153-A156 HydrophobicContact CB-CB 4.25Å; N153-A156 VanDerWaalsContact CG-CB 3.46Å; N153-A156 WeakPolarHBondContact ND2-CB 3.44Å; N153-A156 WeakPolarHBondContact O-CB 3.32Å; N153-A156 PolarHBondContact O-N 3.19Å; N153-A156 VanDerWaalsContact O-N 3.1Å | ||
| 154 | W | 92.9 | Very high | 92.5 | Very high | 26 Ų | 26 | 54.6 Ų | 54.6 | 10% | 0.098 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -48.1 | -36.2 | -179.3 | -63 | -44.5 | 0 | 0 | 0 | 113.4 | I82 L128 H145 R149 E152 | I82-W154 HydrophobicContact CD1-CB 3.61Å; I82-W154 HydrophobicContact CD1-CG 4.25Å; L128-W154 HydrophobicContact CB-CD2 4.17Å; L128-W154 HydrophobicContact CB-CZ2 4.14Å; L128-W154 HydrophobicContact CD1-CD2 4.44Å; L128-W154 HydrophobicContact CD1-CE3 4.08Å; L128-W154 HydrophobicContact CD1-CH2 4.03Å; L128-W154 HydrophobicContact CD1-CZ2 4.39Å; L128-W154 HydrophobicContact CD1-CZ3 3.88Å; H145-W154 HydrophobicContact CB-CH2 4.18Å; H145-W154 HydrophobicContact CB-CZ3 3.94Å; R149-W154 HydrophobicContact CB-CH2 3.99Å; R149-W154 HydrophobicContact CB-CZ2 4.46Å; R149-W154 HydrophobicContact CG-CH2 4.49Å; E152-W154 HydrophobicContact CB-CD2 3.93Å; E152-W154 HydrophobicContact CB-CE3 4.34Å; E152-W154 HydrophobicContact CB-CG 4.45Å; E152-W154 HydrophobicContact CB-CH2 4.13Å; E152-W154 HydrophobicContact CB-CZ2 3.7Å; E152-W154 HydrophobicContact CB-CZ3 4.42Å; E152-W154 HydrophobicContact CG-CH2 4.28Å; E152-W154 HydrophobicContact CG-CZ2 3.61Å; E152-W154 PolarHBondContact OE2-NE1 3.23Å |
| 155 | F | 95.2 | Very high | 92.1 | Very high | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.009 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | 13.2 | -173 | -52.3 | -68.8 | 0 | 0 | 0 | 114.6 | I82 L85 L128 V135 L142 I146 N153 K157 I158 I185 A186 | I82-F155 HydrophobicContact CD1-CE1 4.44Å; I82-F155 HydrophobicContact CG2-CD1 3.9Å; I82-F155 HydrophobicContact CG2-CE1 3.94Å; L85-F155 HydrophobicContact CB-CD1 4.37Å; L85-F155 HydrophobicContact CB-CE1 4.44Å; L85-F155 HydrophobicContact CD1-CE1 4.09Å; L85-F155 HydrophobicContact CD2-CD1 4.2Å; L85-F155 HydrophobicContact CD2-CE1 4.28Å; L128-F155 HydrophobicContact CD2-CZ 4.27Å; V135-F155 HydrophobicContact CB-CE1 4.22Å; V135-F155 HydrophobicContact CG1-CE1 4.34Å; V135-F155 HydrophobicContact CG1-CZ 4.39Å; V135-F155 HydrophobicContact CG2-CE1 4.18Å; L142-F155 HydrophobicContact CD1-CE2 3.88Å; L142-F155 HydrophobicContact CD1-CZ 3.67Å; L142-F155 HydrophobicContact CD2-CE2 4.46Å; L142-F155 HydrophobicContact CD2-CZ 4.35Å; L142-F155 HydrophobicContact CG-CE2 4.4Å; L142-F155 HydrophobicContact CG-CZ 4.47Å; I146-F155 HydrophobicContact CD1-CD2 4.13Å; I146-F155 HydrophobicContact CD1-CE2 3.97Å; I146-F155 HydrophobicContact CG1-CE2 4.16Å; N153-F155 PolarHBondContact O-N 3.04Å; F155-K157 PolarHBondContact O-N 2.86Å; F155-I158 HydrophobicContact CB-CG2 3.91Å; F155-I158 HydrophobicContact CD1-CG2 3.83Å; F155-I158 HydrophobicContact CG-CG2 4.38Å; F155-I185 HydrophobicContact CB-CB 4.37Å; F155-I185 HydrophobicContact CB-CG2 3.82Å; F155-I185 HydrophobicContact CG-CG2 4.31Å; F155-A186 PolarHBondContact O-N 3.23Å |
| 156 | A | 92.4 | Very high | 91.7 | Very high | 41 Ų | 41 | 51.9 Ų | 51.9 | 34% | 0.339 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -30 | -179 | 0 | 0 | 0 | 0 | 0 | 114.3 | N153 A186 | N153-A156 HydrophobicContact CB-CB 4.25Å; N153-A156 VanDerWaalsContact CG-CB 3.46Å; N153-A156 WeakPolarHBondContact ND2-CB 3.44Å; N153-A156 WeakPolarHBondContact O-CB 3.32Å; N153-A156 PolarHBondContact O-N 3.19Å; N153-A156 VanDerWaalsContact O-N 3.1Å; A156-A186 WeakPolarHBondContact O-CB 3.33Å |
| 157 | K | 93.6 | Very high | 90.9 | Very high | 159 Ų | 159 | 51.5 Ų | 51.5 | 69% | 0.691 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.8 | 10.3 | -172.2 | -63.1 | -174.7 | -179.5 | -179.5 | 0 | 113.2 | Y80 F155 R159 | Y80-K157 HydrophobicContact CE2-CB 4.14Å; Y80-K157 WeakPolarHBondContact CE2-O 3.41Å; Y80-K157 PolarHBondContact OH-O 3.49Å; F155-K157 PolarHBondContact O-N 2.86Å; K157-R159 PolarHBondContact O-N 2.95Å |
| 158 | I | 95.6 | Very high | 90.3 | Very high | 2 Ų | 2 | 47.4 Ų | 47.4 | 1% | 0.01 | 24% | 0.235 | C | C | . | . | trans | -59.4 | 138.7 | -179.8 | 69.3 | 174 | 0 | 0 | 0 | 110.6 | I82 L85 F155 I185 A186 | I82-I158 HydrophobicContact CG2-CG2 3.91Å; L85-I158 HydrophobicContact CB-CD1 4.26Å; F155-I158 HydrophobicContact CB-CG2 3.91Å; F155-I158 HydrophobicContact CD1-CG2 3.83Å; F155-I158 HydrophobicContact CG-CG2 4.38Å; I158-I185 HydrophobicContact CD1-CB 3.75Å; I158-I185 HydrophobicContact CD1-CG2 3.85Å; I158-I185 HydrophobicContact CG1-CB 4.48Å; I158-A186 HydrophobicContact CG1-CB 4.12Å | ||
| 159 | R | 95.9 | Very high | 90.1 | Very high | 111 Ų | 111 | 43.9 Ų | 43.9 | 42% | 0.419 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -94.6 | -31.2 | 172.8 | -172.8 | 168.7 | 177 | 170.1 | -4.6 | 111.8 | V74 F83 K157 Q190 | V74-R159 VanDerWaalsContact CG1-NH1 3.32Å; F83-R159 HydrophobicContact CD2-CB 4.21Å; F83-R159 HydrophobicContact CE1-CB 4.44Å; F83-R159 HydrophobicContact CE2-CB 3.91Å; F83-R159 HydrophobicContact CE2-CG 4.4Å; F83-R159 HydrophobicContact CZ-CB 4.05Å; F83-R159 HydrophobicContact CZ-CG 4.27Å; F83-R159 PolarHBondContact O-N 3.37Å; K157-R159 PolarHBondContact O-N 2.95Å; R159-Q190 PolarHBondContact O-N 3.48Å |
| 160 | F | 97.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 132.2 | -177.8 | -67.7 | -90.1 | 0 | 0 | 0 | 112.5 | I47 I71 V74 F83 A84 L85 Q190 L192 | I47-F160 HydrophobicContact CG2-CE1 3.99Å; I71-F160 HydrophobicContact CD1-CB 4.1Å; I71-F160 HydrophobicContact CD1-CD1 4.35Å; I71-F160 HydrophobicContact CD1-CG 4.23Å; I71-F160 HydrophobicContact CG1-CB 4.16Å; I71-F160 HydrophobicContact CG1-CD1 3.81Å; I71-F160 HydrophobicContact CG1-CD2 4.09Å; I71-F160 HydrophobicContact CG1-CE1 4.16Å; I71-F160 HydrophobicContact CG1-CE2 4.44Å; I71-F160 HydrophobicContact CG1-CG 3.76Å; I71-F160 HydrophobicContact CG1-CZ 4.47Å; V74-F160 HydrophobicContact CB-CE2 4.17Å; V74-F160 HydrophobicContact CB-CZ 4.3Å; V74-F160 HydrophobicContact CG1-CE2 4.26Å; V74-F160 HydrophobicContact CG2-CZ 4.18Å; F83-F160 AromaticContact CD1-CD2 3.92Å; F83-F160 HydrophobicContact CD1-CD2 3.92Å; F83-F160 HydrophobicContact CD1-CE2 4.38Å; F83-F160 AromaticContact CE1-CD2 3.33Å; F83-F160 HydrophobicContact CE1-CD2 3.33Å; F83-F160 AromaticContact CE1-CE2 3.36Å; F83-F160 HydrophobicContact CE1-CE2 3.36Å; F83-F160 AromaticContact CZ-CD2 3.94Å; F83-F160 HydrophobicContact CZ-CD2 3.94Å; F83-F160 AromaticContact CZ-CE2 3.64Å; F83-F160 HydrophobicContact CZ-CE2 3.64Å; F83-F160 PolarHBondContact O-N 2.89Å; F83-F160 VanDerWaalsContact O-N 3.15Å; A84-F160 WeakPolarHBondContact CA-O 3.45Å; A84-F160 HydrophobicContact CB-CB 3.93Å; L85-F160 PolarHBondContact N-O 2.88Å; F160-Q190 WeakPolarHBondContact CA-O 3.28Å; F160-Q190 HydrophobicContact CD1-CB 3.98Å; F160-Q190 HydrophobicContact CD1-CG 4.25Å; F160-Q190 HydrophobicContact CE1-CB 4.06Å; F160-Q190 VanDerWaalsContact CE1-CD 3.47Å; F160-Q190 HydrophobicContact CE1-CG 4.08Å; F160-L192 HydrophobicContact CD1-CD1 4.01Å; F160-L192 HydrophobicContact CD1-CG 4.41Å; F160-L192 HydrophobicContact CE1-CD1 4.43Å |
| 161 | L | 96.5 | Very high | 89.5 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 125.1 | 162.3 | 173.7 | 69 | 0 | 0 | 0 | 108.3 | L85 L87 L163 F182 I185 Q190 T191 L192 V208 | L85-L161 HydrophobicContact CB-CD1 4.38Å; L85-L161 HydrophobicContact CD2-CD1 4.06Å; L85-L161 HydrophobicContact CG-CD1 4.16Å; L85-L161 CarbonylContact O-C 3.34Å; L85-L161 WeakPolarHBondContact O-CA 3.34Å; L87-L161 HydrophobicContact CD1-CD1 4.15Å; L87-L161 HydrophobicContact CG-CD1 4.36Å; L161-L163 HydrophobicContact CD1-CD1 4.43Å; L161-L163 HydrophobicContact CD2-CD1 3.81Å; L161-L163 HydrophobicContact CG-CD1 3.8Å; L161-F182 HydrophobicContact CD2-CD1 4.45Å; L161-F182 HydrophobicContact CD2-CE1 3.92Å; L161-I185 HydrophobicContact CD2-CD1 3.76Å; L161-Q190 PolarHBondContact N-O 3.4Å; L161-T191 HydrophobicContact CD2-CG2 4.24Å; L161-T191 CarbonylContact O-C 3.29Å; L161-T191 WeakPolarHBondContact O-CA 3.19Å; L161-L192 PolarHBondContact O-N 3.01Å; L161-V208 HydrophobicContact CD2-CG1 3.81Å |
| 162 | V | 96.5 | Very high | 89.1 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 133.3 | 174.7 | -173.7 | 0 | 0 | 0 | 0 | 109.7 | F67 I71 L85 V86 L87 L192 F194 | F67-V162 HydrophobicContact CB-CG1 4.47Å; F67-V162 HydrophobicContact CB-CG2 4.46Å; F67-V162 HydrophobicContact CD1-CG1 3.89Å; F67-V162 HydrophobicContact CD2-CG1 4Å; F67-V162 HydrophobicContact CD2-CG2 4.16Å; F67-V162 HydrophobicContact CE1-CG1 3.99Å; F67-V162 HydrophobicContact CE2-CG1 4.15Å; F67-V162 HydrophobicContact CG-CG1 3.88Å; F67-V162 HydrophobicContact CG-CG2 4.39Å; F67-V162 HydrophobicContact CZ-CG1 4.13Å; I71-V162 HydrophobicContact CD1-CG2 3.61Å; L85-V162 PolarHBondContact O-N 2.88Å; V86-V162 HydrophobicContact CB-CB 4.23Å; V86-V162 HydrophobicContact CG1-CB 3.99Å; V86-V162 HydrophobicContact CG1-CG1 4.11Å; V86-V162 HydrophobicContact CG2-CB 3.97Å; V86-V162 HydrophobicContact CG2-CG2 4.06Å; L87-V162 PolarHBondContact N-O 3.22Å; V162-L192 CarbonylContact C-O 3.57Å; V162-L192 VanDerWaalsContact CA-O 3.26Å; V162-L192 WeakPolarHBondContact CA-O 3.41Å; V162-L192 HydrophobicContact CG2-CB 4.23Å; V162-L192 HydrophobicContact CG2-CD1 4.18Å; V162-F194 HydrophobicContact CG1-CD2 4.45Å |
| 163 | L | 93.9 | Very high | 88.8 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 103.4 | 168 | -71.2 | 90.7 | 0 | 0 | 0 | 108.3 | L161 A166 L169 L170 F182 T191 L192 L193 F194 V208 | L161-L163 HydrophobicContact CD1-CD1 4.43Å; L161-L163 HydrophobicContact CD2-CD1 3.81Å; L161-L163 HydrophobicContact CG-CD1 3.8Å; L163-A166 HydrophobicContact CB-CB 4.13Å; L163-L169 HydrophobicContact CB-CD1 3.9Å; L163-L169 HydrophobicContact CD2-CD1 4.24Å; L163-L169 HydrophobicContact CG-CD1 4.24Å; L163-L170 HydrophobicContact CD2-CD2 4.26Å; L163-F182 HydrophobicContact CD2-CZ 4.28Å; L163-T191 HydrophobicContact CD1-CG2 4.25Å; L163-L192 PolarHBondContact N-O 3.33Å; L163-L193 HydrophobicContact CB-CD1 4.1Å; L163-L193 HydrophobicContact CB-CG 3.99Å; L163-L193 HydrophobicContact CD1-CD1 4.24Å; L163-L193 HydrophobicContact CD2-CD1 4.18Å; L163-L193 HydrophobicContact CG-CD1 4.41Å; L163-F194 PolarHBondContact O-N 3.2Å; L163-V208 HydrophobicContact CD1-CG1 4.33Å |
| 164 | D | 92 | Very high | 88.6 | Confident | 5 Ų | 5 | 31.4 Ų | 31.4 | 3% | 0.027 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 144.1 | 175.5 | -165.8 | 25.5 | 0 | 0 | 0 | 111.1 | F67 L87 P89 I97 A166 L169 | F67-D164 HydrophobicContact CE1-CB 4.37Å; L87-D164 PolarHBondContact O-N 3.37Å; P89-D164 VanDerWaalsContact CD-O 3.31Å; P89-D164 WeakPolarHBondContact CD-O 3.4Å; I97-D164 HydrophobicContact CD1-CB 4.21Å; D164-A166 VanDerWaalsContact C-N 3.29Å; D164-L169 VanDerWaalsContact O-CD1 3.29Å; D164-L169 WeakPolarHBondContact O-CD1 3.38Å |
| 165 | E | 86.8 | Confident | 88.3 | Confident | 25 Ų | 25 | 32.9 Ų | 32.9 | 12% | 0.117 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.2 | 50.6 | -163.4 | -63.8 | -168.8 | 175.4 | 0 | 0 | 111.7 | P89 L93 D167 R168 L169 F194 G320 | P89-E165 HydrophobicContact CG-CB 3.75Å; L93-E165 HydrophobicContact CD2-CB 4.42Å; L93-E165 HydrophobicContact CD2-CG 3.71Å; E165-D167 VanDerWaalsContact C-N 3.29Å; E165-D167 PolarHBondContact O-N 3.13Å; E165-R168 HydrophobicContact CB-CB 4.48Å; E165-R168 WeakPolarHBondContact O-CA 3.46Å; E165-R168 WeakPolarHBondContact O-CB 3.41Å; E165-R168 PolarHBondContact O-N 3.39Å; E165-L169 PolarHBondContact O-N 3.22Å; E165-L169 VanDerWaalsContact O-N 3.09Å; E165-F194 PolarHBondContact N-O 3.15Å; E165-G320 VanDerWaalsContact OE1-CA 3.29Å; E165-G320 WeakPolarHBondContact OE1-CA 3.46Å; E165-G320 PolarHBondContact OE1-N 3.12Å |
| 166 | A | 86.2 | Confident | 88 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.7 | -30.2 | -171.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | L163 D164 R168 L169 L170 L193 F194 | L163-A166 HydrophobicContact CB-CB 4.13Å; D164-A166 VanDerWaalsContact C-N 3.29Å; A166-R168 PolarHBondContact O-N 2.91Å; A166-L169 PolarHBondContact O-N 3.07Å; A166-L170 HydrophobicContact CB-CD1 4.44Å; A166-L170 VanDerWaalsContact O-CB 3.29Å; A166-L170 WeakPolarHBondContact O-CB 3.42Å; A166-L170 VanDerWaalsContact O-CG 3.25Å; A166-L170 WeakPolarHBondContact O-CG 3.46Å; A166-L170 PolarHBondContact O-N 3.25Å; A166-L193 HydrophobicContact CB-CD1 4.16Å; A166-L193 HydrophobicContact CB-CD2 3.1Å; A166-L193 HydrophobicContact CB-CG 3.47Å; A166-L193 VanDerWaalsContact CB-CG 3.47Å; A166-F194 PolarHBondContact N-O 3.22Å |
| 167 | D | 78.2 | Confident | 88.1 | Confident | 2 Ų | 2 | 39.5 Ų | 39.5 | 1% | 0.011 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -55.4 | -35.4 | 170.5 | 61.9 | -47.1 | 0 | 0 | 0 | 111.7 | E165 E171 S195 T197 D200 K339 H343 | E165-D167 VanDerWaalsContact C-N 3.29Å; E165-D167 PolarHBondContact O-N 3.13Å; D167-E171 WeakPolarHBondContact O-CG 3.48Å; D167-S195 VanDerWaalsContact CB-OG 3.32Å; D167-S195 WeakPolarHBondContact CB-OG 3.4Å; D167-S195 PolarHBondContact OD1-OG 3.43Å; D167-T197 WeakPolarHBondContact CB-OG1 3.49Å; D167-T197 PolarHBondContact OD2-OG1 3.04Å; D167-D200 HydrophobicContact CB-CB 4.27Å; D167-K339 WeakPolarHBondContact OD2-CE 3.33Å; D167-K339 IonicContact OD2-NZ 3.02Å; D167-K339 PolarHBondContact OD2-NZ 3.07Å; D167-H343 IonicContact OD2-CE1 2.72Å |
| 168 | R | 78.9 | Confident | 88 | Confident | 9 Ų | 9 | 32.2 Ų | 32.2 | 3% | 0.034 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -84.3 | -34.1 | 177.5 | -60.1 | -53.2 | -176.5 | 165.1 | -3.2 | 113.4 | P89 E165 A166 L170 E171 H343 | P89-R168 HydrophobicContact CB-CB 4.1Å; P89-R168 HydrophobicContact CG-CB 3.97Å; E165-R168 HydrophobicContact CB-CB 4.48Å; E165-R168 WeakPolarHBondContact O-CA 3.46Å; E165-R168 WeakPolarHBondContact O-CB 3.41Å; E165-R168 PolarHBondContact O-N 3.39Å; A166-R168 PolarHBondContact O-N 2.91Å; R168-L170 PolarHBondContact O-N 3.48Å; R168-E171 VanDerWaalsContact CD-CD 3.45Å; R168-E171 WeakPolarHBondContact CD-OE1 3.48Å; R168-E171 WeakPolarHBondContact CD-OE2 3.25Å; R168-E171 IonicContact CZ-OE1 3.91Å; R168-E171 IonicContact CZ-OE2 3.21Å; R168-E171 IonicContact NE-OE1 3.88Å; R168-E171 PolarHBondContact NE-OE1 3.43Å; R168-E171 IonicContact NE-OE2 2.66Å; R168-E171 VanDerWaalsContact NH1-CD 3.28Å; R168-E171 IonicContact NH1-OE1 2.73Å; R168-E171 PolarHBondContact NH1-OE1 3.41Å; R168-E171 IonicContact NH1-OE2 3.74Å; R168-E171 PolarHBondContact NH1-OE2 3.38Å; R168-H343 PolarHBondContact NH2-CE1 3.11Å; R168-H343 PolarHBondContact NH2-ND1 2.86Å; R168-H343 VanDerWaalsContact NH2-ND1 3.16Å |
| 169 | L | 86.4 | Confident | 87.8 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.4 | -36.3 | 174.2 | -74 | 170.8 | 0 | 0 | 0 | 111.6 | L87 P89 P139 L163 D164 E165 A166 F174 L178 | L87-L169 HydrophobicContact CB-CD1 4.17Å; L87-L169 WeakPolarHBondContact O-CD1 3.23Å; P89-L169 HydrophobicContact CB-CD2 4.1Å; P89-L169 HydrophobicContact CB-CG 4.4Å; P139-L169 HydrophobicContact CG-CD2 3.59Å; L163-L169 HydrophobicContact CB-CD1 3.9Å; L163-L169 HydrophobicContact CD2-CD1 4.24Å; L163-L169 HydrophobicContact CG-CD1 4.24Å; D164-L169 VanDerWaalsContact O-CD1 3.29Å; D164-L169 WeakPolarHBondContact O-CD1 3.38Å; E165-L169 PolarHBondContact O-N 3.22Å; E165-L169 VanDerWaalsContact O-N 3.09Å; A166-L169 PolarHBondContact O-N 3.07Å; L169-F174 HydrophobicContact CD2-CD2 4.3Å; L169-L178 WeakPolarHBondContact O-CD1 3.41Å |
| 170 | L | 82.1 | Confident | 87.6 | Confident | 11 Ų | 11 | 33.7 Ų | 33.7 | 6% | 0.058 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100 | 12.2 | -171.1 | -57.4 | 174.2 | 0 | 0 | 0 | 113.2 | L163 A166 R168 G172 L178 L193 R204 | L163-L170 HydrophobicContact CD2-CD2 4.26Å; A166-L170 HydrophobicContact CB-CD1 4.44Å; A166-L170 VanDerWaalsContact O-CB 3.29Å; A166-L170 WeakPolarHBondContact O-CB 3.42Å; A166-L170 VanDerWaalsContact O-CG 3.25Å; A166-L170 WeakPolarHBondContact O-CG 3.46Å; A166-L170 PolarHBondContact O-N 3.25Å; R168-L170 PolarHBondContact O-N 3.48Å; L170-G172 PolarHBondContact O-N 2.92Å; L170-L178 HydrophobicContact CD2-CD1 3.92Å; L170-L193 HydrophobicContact CD1-CD1 4.3Å; L170-R204 HydrophobicContact CB-CB 4.15Å; L170-R204 HydrophobicContact CD1-CB 3.9Å; L170-R204 HydrophobicContact CD2-CB 4.33Å; L170-R204 HydrophobicContact CG-CB 4.34Å; L170-R204 WeakPolarHBondContact O-CD 3.47Å; L170-R204 PolarHBondContact O-NE 3.31Å; L170-R204 PolarHBondContact O-NH1 2.88Å |
| 171 | E | 76.6 | Confident | 87.4 | Confident | 79 Ų | 79 | 33.7 Ų | 33.7 | 37% | 0.369 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | 9.2 | 179.8 | -104.7 | 165.7 | -155.4 | 0 | 0 | 114.2 | D167 R168 K339 | D167-E171 WeakPolarHBondContact O-CG 3.48Å; R168-E171 VanDerWaalsContact CD-CD 3.45Å; R168-E171 WeakPolarHBondContact CD-OE1 3.48Å; R168-E171 WeakPolarHBondContact CD-OE2 3.25Å; R168-E171 IonicContact CZ-OE1 3.91Å; R168-E171 IonicContact CZ-OE2 3.21Å; R168-E171 IonicContact NE-OE1 3.88Å; R168-E171 PolarHBondContact NE-OE1 3.43Å; R168-E171 IonicContact NE-OE2 2.66Å; R168-E171 VanDerWaalsContact NH1-CD 3.28Å; R168-E171 IonicContact NH1-OE1 2.73Å; R168-E171 PolarHBondContact NH1-OE1 3.41Å; R168-E171 IonicContact NH1-OE2 3.74Å; R168-E171 PolarHBondContact NH1-OE2 3.38Å; E171-K339 IonicContact OE1-NZ 3.75Å; E171-K339 PolarHBondContact OE1-NZ 3.24Å |
| 172 | G | 76.3 | Confident | 87.2 | Confident | 32 Ų | 32 | 35.4 Ų | 35.4 | 33% | 0.33 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 99.3 | -25.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115 | L170 F174 D175 | L170-G172 PolarHBondContact O-N 2.92Å; G172-F174 PolarHBondContact O-N 3.42Å; G172-D175 WeakPolarHBondContact CA-OD1 3.5Å; G172-D175 PolarHBondContact O-N 2.95Å |
| 173 | Q | 80.1 | Confident | 86.9 | Confident | 131 Ų | 131 | 41.7 Ų | 41.7 | 61% | 0.612 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -29.3 | -175.6 | -179.7 | 175.7 | 7.3 | 0 | 0 | 113.4 | ||
| 174 | F | 87.1 | Confident | 86.7 | Confident | 24 Ų | 24 | 44.9 Ų | 44.9 | 11% | 0.105 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.2 | 9.5 | -172.5 | -58.1 | -67.9 | 0 | 0 | 0 | 113.8 | P89 P139 L169 G172 L176 Q177 L178 | P89-F174 HydrophobicContact CB-CE2 3.99Å; P89-F174 HydrophobicContact CB-CZ 4.41Å; P139-F174 HydrophobicContact CB-CB 4.06Å; P139-F174 HydrophobicContact CB-CD1 4.01Å; P139-F174 HydrophobicContact CB-CG 4.16Å; P139-F174 HydrophobicContact CG-CB 4.19Å; P139-F174 HydrophobicContact CG-CD1 4.15Å; P139-F174 HydrophobicContact CG-CG 4.04Å; L169-F174 HydrophobicContact CD2-CD2 4.3Å; G172-F174 PolarHBondContact O-N 3.42Å; F174-L176 PolarHBondContact O-N 3.26Å; F174-Q177 VanDerWaalsContact C-OE1 3.26Å; F174-Q177 VanDerWaalsContact CA-OE1 3.26Å; F174-Q177 WeakPolarHBondContact O-CB 3.47Å; F174-Q177 PolarHBondContact O-N 2.95Å; F174-Q177 PolarHBondContact O-OE1 3.15Å; F174-L178 HydrophobicContact CB-CD1 4.07Å; F174-L178 HydrophobicContact CB-CG 4.01Å; F174-L178 WeakPolarHBondContact O-CB 3.15Å; F174-L178 WeakPolarHBondContact O-CG 3.38Å; F174-L178 PolarHBondContact O-N 3.5Å |
| 175 | D | 86.9 | Confident | 86.8 | Confident | 58 Ų | 58 | 45 Ų | 45 | 31% | 0.31 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -56 | -49.3 | -166.9 | -72.5 | 6.7 | 0 | 0 | 0 | 112.4 | G172 Q177 L178 E179 R204 | G172-D175 WeakPolarHBondContact CA-OD1 3.5Å; G172-D175 PolarHBondContact O-N 2.95Å; D175-Q177 VanDerWaalsContact C-N 3.3Å; D175-Q177 PolarHBondContact O-N 3.31Å; D175-L178 PolarHBondContact O-N 3.17Å; D175-E179 WeakPolarHBondContact O-CB 3.39Å; D175-E179 PolarHBondContact O-N 2.93Å; D175-R204 VanDerWaalsContact CG-NH1 3.29Å; D175-R204 IonicContact OD1-CZ 3.36Å; D175-R204 IonicContact OD1-NH1 3.13Å; D175-R204 PolarHBondContact OD1-NH1 3.25Å; D175-R204 IonicContact OD1-NH2 2.69Å; D175-R204 IonicContact OD2-CZ 2.97Å; D175-R204 IonicContact OD2-NH1 3.86Å; D175-R204 PolarHBondContact OD2-NH1 3.46Å; D175-R204 VanDerWaalsContact OD2-NH1 3.12Å; D175-R204 IonicContact OD2-NH2 3.43Å; D175-R204 PolarHBondContact OD2-NH2 3.16Å |
| 176 | L | 89.4 | Confident | 87 | Confident | 123 Ų | 123 | 44.6 Ų | 44.6 | 64% | 0.644 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -62.5 | -37.1 | 178.3 | -63.7 | 175.5 | 0 | 0 | 0 | 112.7 | F174 S180 | F174-L176 PolarHBondContact O-N 3.26Å; L176-S180 PolarHBondContact O-N 3.37Å; L176-S180 PolarHBondContact O-OG 2.92Å |
| 177 | Q | 93.9 | Very high | 87 | Confident | 59 Ų | 59 | 51.3 Ų | 51.3 | 28% | 0.276 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -72.4 | -43.4 | 179.5 | -65.3 | 76.7 | 25.6 | 0 | 0 | 110.9 | P139 A143 F174 D175 S180 I181 | P139-Q177 HydrophobicContact CB-CB 3.93Å; A143-Q177 HydrophobicContact CB-CB 3.76Å; A143-Q177 HydrophobicContact CB-CG 3.95Å; F174-Q177 VanDerWaalsContact C-OE1 3.26Å; F174-Q177 VanDerWaalsContact CA-OE1 3.26Å; F174-Q177 WeakPolarHBondContact O-CB 3.47Å; F174-Q177 PolarHBondContact O-N 2.95Å; F174-Q177 PolarHBondContact O-OE1 3.15Å; D175-Q177 VanDerWaalsContact C-N 3.3Å; D175-Q177 PolarHBondContact O-N 3.31Å; Q177-S180 PolarHBondContact O-N 2.86Å; Q177-I181 WeakPolarHBondContact O-CD1 3.45Å; Q177-I181 WeakPolarHBondContact O-CG1 3.23Å; Q177-I181 PolarHBondContact O-N 3.2Å |
| 178 | L | 92.2 | Very high | 87.7 | Confident | 6 Ų | 6 | 56.6 Ų | 56.6 | 3% | 0.031 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.6 | -40.9 | 176.9 | -71.3 | 176.5 | 0 | 0 | 0 | 111.3 | L87 P139 L169 L170 F174 D175 S180 I181 F182 | L87-L178 HydrophobicContact CD1-CD2 3.78Å; P139-L178 HydrophobicContact CB-CD2 4.14Å; P139-L178 HydrophobicContact CB-CG 4.47Å; P139-L178 HydrophobicContact CG-CD2 3.97Å; L169-L178 WeakPolarHBondContact O-CD1 3.41Å; L170-L178 HydrophobicContact CD2-CD1 3.92Å; F174-L178 HydrophobicContact CB-CD1 4.07Å; F174-L178 HydrophobicContact CB-CG 4.01Å; F174-L178 WeakPolarHBondContact O-CB 3.15Å; F174-L178 WeakPolarHBondContact O-CG 3.38Å; F174-L178 PolarHBondContact O-N 3.5Å; D175-L178 PolarHBondContact O-N 3.17Å; L178-S180 PolarHBondContact O-N 3.02Å; L178-I181 PolarHBondContact O-N 3.08Å; L178-F182 HydrophobicContact CB-CD2 4.47Å; L178-F182 HydrophobicContact CB-CE2 4.09Å; L178-F182 HydrophobicContact CB-CZ 4.35Å; L178-F182 HydrophobicContact CD2-CE1 4.46Å; L178-F182 HydrophobicContact CD2-CZ 4.13Å; L178-F182 WeakPolarHBondContact O-CB 3.2Å; L178-F182 WeakPolarHBondContact O-CD2 3.16Å; L178-F182 WeakPolarHBondContact O-CG 3.21Å; L178-F182 PolarHBondContact O-N 2.9Å |
| 179 | E | 90.3 | Very high | 88.4 | Confident | 109 Ų | 109 | 57.1 Ų | 57.1 | 51% | 0.509 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -57.1 | -50.5 | 173.9 | -174.6 | -178.7 | -178.8 | 0 | 0 | 111.1 | D175 I181 F182 Q183 | D175-E179 WeakPolarHBondContact O-CB 3.39Å; D175-E179 PolarHBondContact O-N 2.93Å; E179-I181 VanDerWaalsContact C-N 3.28Å; E179-I181 PolarHBondContact O-N 3.42Å; E179-F182 PolarHBondContact O-N 2.66Å; E179-Q183 WeakPolarHBondContact O-CG 3.26Å; E179-Q183 PolarHBondContact O-N 3.48Å; E179-Q183 VanDerWaalsContact O-N 3.08Å |
| 180 | S | 91.6 | Very high | 88.8 | Confident | 35 Ų | 35 | 57.9 Ų | 57.9 | 25% | 0.245 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -58.7 | -39.4 | 177.8 | -58.7 | 0 | 0 | 0 | 0 | 112.4 | L176 Q177 L178 | L176-S180 PolarHBondContact O-N 3.37Å; L176-S180 PolarHBondContact O-OG 2.92Å; Q177-S180 PolarHBondContact O-N 2.86Å; L178-S180 PolarHBondContact O-N 3.02Å |
| 181 | I | 94.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -68.2 | -49.7 | 176.5 | -66.5 | 158.8 | 0 | 0 | 0 | 110.3 | L85 L87 P139 L142 A143 I146 Q177 L178 E179 Q183 K184 I185 | L85-I181 HydrophobicContact CD2-CG2 4Å; L87-I181 HydrophobicContact CD1-CD1 4.46Å; L87-I181 HydrophobicContact CD1-CG2 4.27Å; L87-I181 HydrophobicContact CD2-CD1 4.27Å; P139-I181 HydrophobicContact CB-CD1 4.09Å; L142-I181 HydrophobicContact CB-CD1 4.16Å; L142-I181 HydrophobicContact CB-CG1 4.49Å; L142-I181 HydrophobicContact CD2-CD1 4Å; L142-I181 HydrophobicContact CD2-CG1 4.07Å; L142-I181 HydrophobicContact CD2-CG2 4.21Å; L142-I181 HydrophobicContact CG-CD1 4.34Å; L142-I181 HydrophobicContact CG-CG1 4.25Å; A143-I181 HydrophobicContact CB-CG1 4.42Å; I146-I181 HydrophobicContact CD1-CB 4.27Å; I146-I181 HydrophobicContact CD1-CG1 3.83Å; I146-I181 HydrophobicContact CD1-CG2 4.45Å; Q177-I181 WeakPolarHBondContact O-CD1 3.45Å; Q177-I181 WeakPolarHBondContact O-CG1 3.23Å; Q177-I181 PolarHBondContact O-N 3.2Å; L178-I181 PolarHBondContact O-N 3.08Å; E179-I181 VanDerWaalsContact C-N 3.28Å; E179-I181 PolarHBondContact O-N 3.42Å; I181-Q183 PolarHBondContact O-N 3.44Å; I181-K184 PolarHBondContact O-N 2.85Å; I181-I185 HydrophobicContact CG2-CG2 4.11Å; I181-I185 WeakPolarHBondContact O-CG2 3.48Å; I181-I185 PolarHBondContact O-N 2.83Å |
| 182 | F | 91.5 | Very high | 90.3 | Very high | 36 Ų | 36 | 53.6 Ų | 53.6 | 16% | 0.158 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66.8 | -20 | -174.7 | -66.4 | -16.3 | 0 | 0 | 0 | 114.2 | L87 L161 L163 L178 E179 K184 I185 K187 V208 | L87-F182 HydrophobicContact CD1-CE1 4.14Å; L161-F182 HydrophobicContact CD2-CD1 4.45Å; L161-F182 HydrophobicContact CD2-CE1 3.92Å; L163-F182 HydrophobicContact CD2-CZ 4.28Å; L178-F182 HydrophobicContact CB-CD2 4.47Å; L178-F182 HydrophobicContact CB-CE2 4.09Å; L178-F182 HydrophobicContact CB-CZ 4.35Å; L178-F182 HydrophobicContact CD2-CE1 4.46Å; L178-F182 HydrophobicContact CD2-CZ 4.13Å; L178-F182 WeakPolarHBondContact O-CB 3.2Å; L178-F182 WeakPolarHBondContact O-CD2 3.16Å; L178-F182 WeakPolarHBondContact O-CG 3.21Å; L178-F182 PolarHBondContact O-N 2.9Å; E179-F182 PolarHBondContact O-N 2.66Å; F182-K184 VanDerWaalsContact C-N 3.34Å; F182-I185 HydrophobicContact CB-CD1 4.48Å; F182-I185 HydrophobicContact CD1-CD1 3.64Å; F182-I185 HydrophobicContact CE1-CD1 4.36Å; F182-I185 HydrophobicContact CG-CD1 4.41Å; F182-K187 PolarHBondContact O-NZ 3.02Å; F182-V208 HydrophobicContact CD2-CG2 4.28Å; F182-V208 HydrophobicContact CE1-CG1 4.1Å; F182-V208 HydrophobicContact CE2-CB 4.4Å; F182-V208 HydrophobicContact CE2-CG1 3.98Å; F182-V208 HydrophobicContact CE2-CG2 3.49Å; F182-V208 VanDerWaalsContact CE2-CG2 3.49Å; F182-V208 HydrophobicContact CZ-CG1 3.71Å; F182-V208 HydrophobicContact CZ-CG2 3.89Å |
| 183 | Q | 89.7 | Confident | 91.1 | Very high | 131 Ų | 131 | 52 Ų | 52 | 61% | 0.612 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -24.8 | 170.4 | -72.6 | 176.5 | 10 | 0 | 0 | 113.2 | E179 I181 | E179-Q183 WeakPolarHBondContact O-CG 3.26Å; E179-Q183 PolarHBondContact O-N 3.48Å; E179-Q183 VanDerWaalsContact O-N 3.08Å; I181-Q183 PolarHBondContact O-N 3.44Å |
| 184 | K | 91.3 | Very high | 91.6 | Very high | 67 Ų | 67 | 45.8 Ų | 45.8 | 29% | 0.291 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | -9.3 | -174.6 | -71.5 | -68.3 | -166.4 | 170.9 | 0 | 115.3 | I146 S150 I181 F182 | I146-K184 HydrophobicContact CG2-CB 4.29Å; I146-K184 HydrophobicContact CG2-CG 3.62Å; S150-K184 PolarHBondContact O-NZ 3.26Å; I181-K184 PolarHBondContact O-N 2.85Å; F182-K184 VanDerWaalsContact C-N 3.34Å |
| 185 | I | 92.4 | Very high | 91.5 | Very high | 8 Ų | 8 | 44.7 Ų | 44.7 | 4% | 0.041 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -86.4 | 150 | 177.2 | 65.3 | 179.6 | 0 | 0 | 0 | 112.2 | L85 F155 I158 L161 I181 F182 K187 | L85-I185 HydrophobicContact CD2-CG2 4.07Å; F155-I185 HydrophobicContact CB-CB 4.37Å; F155-I185 HydrophobicContact CB-CG2 3.82Å; F155-I185 HydrophobicContact CG-CG2 4.31Å; I158-I185 HydrophobicContact CD1-CB 3.75Å; I158-I185 HydrophobicContact CD1-CG2 3.85Å; I158-I185 HydrophobicContact CG1-CB 4.48Å; L161-I185 HydrophobicContact CD2-CD1 3.76Å; I181-I185 HydrophobicContact CG2-CG2 4.11Å; I181-I185 WeakPolarHBondContact O-CG2 3.48Å; I181-I185 PolarHBondContact O-N 2.83Å; F182-I185 HydrophobicContact CB-CD1 4.48Å; F182-I185 HydrophobicContact CD1-CD1 3.64Å; F182-I185 HydrophobicContact CE1-CD1 4.36Å; F182-I185 HydrophobicContact CG-CD1 4.41Å; I185-K187 PolarHBondContact O-N 3.26Å |
| 186 | A | 91.2 | Very high | 90.9 | Very high | 16 Ų | 16 | 43.4 Ų | 43.4 | 13% | 0.132 | 23% | 0.226 | C | C | . | . | trans | -51.2 | 131 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | F155 A156 I158 R189 | F155-A186 PolarHBondContact O-N 3.23Å; A156-A186 WeakPolarHBondContact O-CB 3.33Å; I158-A186 HydrophobicContact CG1-CB 4.12Å; A186-R189 VanDerWaalsContact O-CD 3.24Å; A186-R189 WeakPolarHBondContact O-CD 3.26Å; A186-R189 WeakPolarHBondContact O-CG 3.29Å; A186-R189 PolarHBondContact O-NH1 3.45Å | ||
| 187 | K | 87.8 | Confident | 89.8 | Confident | 142 Ų | 142 | 39.3 Ų | 39.3 | 62% | 0.617 | 21% | 0.206 | S | C | * | . | S | Bend | trans | -71.4 | -39 | 174.2 | -62.9 | -60 | -175.4 | -169.8 | 0 | 112 | F182 I185 R189 V210 | F182-K187 PolarHBondContact O-NZ 3.02Å; I185-K187 PolarHBondContact O-N 3.26Å; K187-R189 PolarHBondContact O-N 3.47Å; K187-V210 WeakPolarHBondContact O-CG2 3.27Å |
| 188 | S | 91.1 | Very high | 88.3 | Confident | 112 Ų | 112 | 38.2 Ų | 38.2 | 78% | 0.783 | 20% | 0.202 | S | C | * | . | S | Bend | trans | -82.8 | 96.3 | 172.7 | -171.3 | 0 | 0 | 0 | 0 | 109.6 | ||
| 189 | R | 94 | Very high | 87 | Confident | 20 Ų | 20 | 43.1 Ų | 43.1 | 8% | 0.075 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -153 | 167.2 | 180 | 65.3 | 178.3 | -172.7 | -76.5 | -7.5 | 110.3 | A186 K187 V208 | A186-R189 VanDerWaalsContact O-CD 3.24Å; A186-R189 WeakPolarHBondContact O-CD 3.26Å; A186-R189 WeakPolarHBondContact O-CG 3.29Å; A186-R189 PolarHBondContact O-NH1 3.45Å; K187-R189 PolarHBondContact O-N 3.47Å; R189-V208 PolarHBondContact NH2-O 3.28Å |
| 190 | Q | 95.5 | Very high | 85.4 | Confident | 16 Ų | 16 | 40.6 Ų | 40.6 | 8% | 0.075 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 127.3 | 168.9 | -169.7 | 172 | -5.8 | 0 | 0 | 109.6 | I47 K51 D52 R159 F160 L161 L192 | I47-Q190 PolarHBondContact O-NE2 3.03Å; K51-Q190 PolarHBondContact O-NE2 3.25Å; D52-Q190 WeakPolarHBondContact OD1-CA 3.31Å; R159-Q190 PolarHBondContact O-N 3.48Å; F160-Q190 WeakPolarHBondContact CA-O 3.28Å; F160-Q190 HydrophobicContact CD1-CB 3.98Å; F160-Q190 HydrophobicContact CD1-CG 4.25Å; F160-Q190 HydrophobicContact CE1-CB 4.06Å; F160-Q190 VanDerWaalsContact CE1-CD 3.47Å; F160-Q190 HydrophobicContact CE1-CG 4.08Å; L161-Q190 PolarHBondContact N-O 3.4Å; Q190-L192 HydrophobicContact CG-CD2 4.05Å |
| 191 | T | 94.9 | Very high | 83.7 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 124.3 | -177.9 | -57.9 | 0 | 0 | 0 | 0 | 110.5 | D52 V53 L161 L163 V208 | D52-T191 VanDerWaalsContact CA-O 3.23Å; D52-T191 WeakPolarHBondContact CA-O 3.22Å; D52-T191 WeakPolarHBondContact CB-O 3.22Å; D52-T191 PolarHBondContact OD1-N 3.32Å; V53-T191 PolarHBondContact N-O 3.22Å; V53-T191 VanDerWaalsContact N-O 3.1Å; L161-T191 HydrophobicContact CD2-CG2 4.24Å; L161-T191 CarbonylContact O-C 3.29Å; L161-T191 WeakPolarHBondContact O-CA 3.19Å; L163-T191 HydrophobicContact CD1-CG2 4.25Å; T191-V208 HydrophobicContact CG2-CG1 4.19Å |
| 192 | L | 95.2 | Very high | 82.1 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 127.7 | -178.2 | -49 | -177.9 | 0 | 0 | 0 | 109.4 | I47 V53 F67 I71 F160 L161 V162 L163 Q190 F194 | I47-L192 HydrophobicContact CD1-CD1 3.99Å; I47-L192 HydrophobicContact CD1-CD2 4.28Å; I47-L192 HydrophobicContact CG1-CD1 4.24Å; I47-L192 HydrophobicContact CG1-CD2 3.81Å; I47-L192 HydrophobicContact CG2-CD1 3.88Å; I47-L192 HydrophobicContact CG2-CD2 4.15Å; V53-L192 HydrophobicContact CB-CD2 4.01Å; V53-L192 HydrophobicContact CG2-CD2 4.32Å; V53-L192 CarbonylContact O-C 3.54Å; V53-L192 WeakPolarHBondContact O-CA 3.27Å; F67-L192 HydrophobicContact CB-CD1 3.88Å; I71-L192 HydrophobicContact CD1-CD1 4.31Å; F160-L192 HydrophobicContact CD1-CD1 4.01Å; F160-L192 HydrophobicContact CD1-CG 4.41Å; F160-L192 HydrophobicContact CE1-CD1 4.43Å; L161-L192 PolarHBondContact O-N 3.01Å; V162-L192 CarbonylContact C-O 3.57Å; V162-L192 VanDerWaalsContact CA-O 3.26Å; V162-L192 WeakPolarHBondContact CA-O 3.41Å; V162-L192 HydrophobicContact CG2-CB 4.23Å; V162-L192 HydrophobicContact CG2-CD1 4.18Å; L163-L192 PolarHBondContact N-O 3.33Å; Q190-L192 HydrophobicContact CG-CD2 4.05Å; L192-F194 HydrophobicContact CB-CE2 4.02Å |
| 193 | L | 92.4 | Very high | 80.7 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 121 | -171.6 | -158.5 | 140.7 | 0 | 0 | 0 | 110 | V53 I54 G55 L163 A166 L170 A201 V205 | V53-L193 PolarHBondContact O-N 2.87Å; I54-L193 CarbonylContact C-O 3.26Å; I54-L193 VanDerWaalsContact CA-O 3.29Å; I54-L193 WeakPolarHBondContact CA-O 3.14Å; I54-L193 HydrophobicContact CG1-CB 4.46Å; G55-L193 PolarHBondContact N-O 2.91Å; L163-L193 HydrophobicContact CB-CD1 4.1Å; L163-L193 HydrophobicContact CB-CG 3.99Å; L163-L193 HydrophobicContact CD1-CD1 4.24Å; L163-L193 HydrophobicContact CD2-CD1 4.18Å; L163-L193 HydrophobicContact CG-CD1 4.41Å; A166-L193 HydrophobicContact CB-CD1 4.16Å; A166-L193 HydrophobicContact CB-CD2 3.1Å; A166-L193 HydrophobicContact CB-CG 3.47Å; A166-L193 VanDerWaalsContact CB-CG 3.47Å; L170-L193 HydrophobicContact CD1-CD1 4.3Å; L193-A201 HydrophobicContact CD2-CB 3.97Å; L193-V205 HydrophobicContact CB-CG2 4.44Å; L193-V205 HydrophobicContact CD1-CB 4.02Å; L193-V205 HydrophobicContact CD1-CG1 3.96Å; L193-V205 HydrophobicContact CD1-CG2 3.25Å; L193-V205 HydrophobicContact CD2-CG2 3.4Å; L193-V205 HydrophobicContact CG-CG2 3.81Å |
| 194 | F | 90.9 | Very high | 79.2 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 126.4 | -173.4 | -75.3 | -86 | 0 | 0 | 0 | 110 | V39 C43 I47 G55 K63 A66 F67 V162 L163 E165 A166 L192 | V39-F194 HydrophobicContact CG2-CD1 4.45Å; V39-F194 HydrophobicContact CG2-CE1 4.06Å; C43-F194 HydrophobicContact CB-CE1 4.43Å; C43-F194 HydrophobicContact CB-CZ 4.36Å; I47-F194 HydrophobicContact CD1-CZ 4.33Å; G55-F194 WeakPolarHBondContact O-CA 3.28Å; K63-F194 HydrophobicContact CB-CD1 3.97Å; K63-F194 HydrophobicContact CB-CG 4.43Å; K63-F194 HydrophobicContact CD-CB 4.17Å; K63-F194 HydrophobicContact CD-CD1 4.08Å; K63-F194 HydrophobicContact CG-CD1 4.03Å; A66-F194 HydrophobicContact CB-CE1 3.97Å; A66-F194 HydrophobicContact CB-CZ 4.07Å; F67-F194 HydrophobicContact CB-CD2 4.48Å; F67-F194 HydrophobicContact CB-CE2 3.71Å; F67-F194 HydrophobicContact CB-CZ 4.23Å; F67-F194 AromaticContact CD1-CD2 3.65Å; F67-F194 HydrophobicContact CD1-CD2 3.65Å; F67-F194 AromaticContact CD1-CE2 3.67Å; F67-F194 HydrophobicContact CD1-CE2 3.67Å; F67-F194 HydrophobicContact CD1-CG 4.29Å; F67-F194 HydrophobicContact CD1-CZ 4.31Å; F67-F194 HydrophobicContact CE1-CD2 4.35Å; F67-F194 HydrophobicContact CG-CD2 4.47Å; F67-F194 HydrophobicContact CG-CE2 4.15Å; V162-F194 HydrophobicContact CG1-CD2 4.45Å; L163-F194 PolarHBondContact O-N 3.2Å; E165-F194 PolarHBondContact N-O 3.15Å; A166-F194 PolarHBondContact N-O 3.22Å; L192-F194 HydrophobicContact CB-CE2 4.02Å |
| 195 | S | 85.2 | Confident | 77.8 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 159.2 | -172.8 | -178 | 0 | 0 | 0 | 0 | 111.7 | G55 C56 S57 K63 D167 T197 | G55-S195 PolarHBondContact O-N 3.19Å; G55-S195 VanDerWaalsContact O-N 3.1Å; C56-S195 WeakPolarHBondContact CA-O 3.36Å; S57-S195 PolarHBondContact N-O 2.99Å; S57-S195 VanDerWaalsContact N-O 3.16Å; K63-S195 VanDerWaalsContact NZ-C 3.31Å; K63-S195 PolarHBondContact NZ-O 2.81Å; D167-S195 VanDerWaalsContact CB-OG 3.32Å; D167-S195 WeakPolarHBondContact CB-OG 3.4Å; D167-S195 PolarHBondContact OD1-OG 3.43Å; S195-T197 PolarHBondContact OG-N 3.31Å; S195-T197 VanDerWaalsContact OG-N 3.09Å; S195-T197 PolarHBondContact OG-O 2.91Å |
| 196 | A | 74.3 | Confident | 76.3 | Confident | 32 Ų | 32 | 45.4 Ų | 45.4 | 26% | 0.264 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -87.8 | -27.1 | 167.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 197 | T | 65.6 | Low | 75.2 | Confident | 36 Ų | 36 | 52.4 Ų | 52.4 | 22% | 0.221 | 28% | 0.279 | C | S | . | . | trans | -128.1 | 141.5 | -176.2 | 56.7 | 0 | 0 | 0 | 0 | 111.5 | D167 S195 K339 | D167-T197 WeakPolarHBondContact CB-OG1 3.49Å; D167-T197 PolarHBondContact OD2-OG1 3.04Å; S195-T197 PolarHBondContact OG-N 3.31Å; S195-T197 VanDerWaalsContact OG-N 3.09Å; S195-T197 PolarHBondContact OG-O 2.91Å; T197-K339 VanDerWaalsContact OG1-CE 3.27Å; T197-K339 WeakPolarHBondContact OG1-CE 3.33Å; T197-K339 PolarHBondContact OG1-NZ 2.9Å | ||
| 198 | I | 64.3 | Low | 74.4 | Confident | 37 Ų | 37 | 46.1 Ų | 46.1 | 19% | 0.19 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -80.7 | -43.4 | -174.9 | -84.2 | 165.4 | 0 | 0 | 0 | 113.9 | C56 D200 A201 L202 F215 Q217 | C56-I198 HydrophobicContact CB-CD1 4.31Å; C56-I198 HydrophobicContact CB-CG1 3.9Å; C56-I198 VanDerWaalsContact SG-CG1 3.54Å; I198-D200 VanDerWaalsContact C-N 3.26Å; I198-D200 PolarHBondContact O-N 2.78Å; I198-A201 PolarHBondContact O-N 3.21Å; I198-A201 VanDerWaalsContact O-N 3.13Å; I198-L202 HydrophobicContact CG2-CD1 3.42Å; I198-L202 VanDerWaalsContact CG2-CD1 3.42Å; I198-L202 HydrophobicContact CG2-CG 3.98Å; I198-L202 PolarHBondContact O-N 3.48Å; I198-F215 HydrophobicContact CD1-CE1 4.41Å; I198-F215 HydrophobicContact CD1-CE2 4.44Å; I198-F215 HydrophobicContact CD1-CZ 3.57Å; I198-F215 HydrophobicContact CG1-CE2 4.24Å; I198-F215 HydrophobicContact CG1-CZ 3.83Å; I198-Q217 HydrophobicContact CD1-CB 4.01Å; I198-Q217 HydrophobicContact CD1-CG 3.56Å |
| 199 | T | 63.3 | Low | 73.4 | Confident | 108 Ų | 108 | 41.8 Ų | 41.8 | 66% | 0.663 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -55.6 | -42.5 | -166.8 | 33.1 | 0 | 0 | 0 | 0 | 112.2 | ||
| 200 | D | 57.3 | Low | 72.2 | Confident | 56 Ų | 56 | 44.9 Ų | 44.9 | 30% | 0.299 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -86.1 | -27.4 | -176.5 | -50.5 | -30.9 | 0 | 0 | 0 | 112.4 | D167 I198 K339 | D167-D200 HydrophobicContact CB-CB 4.27Å; I198-D200 VanDerWaalsContact C-N 3.26Å; I198-D200 PolarHBondContact O-N 2.78Å; D200-K339 IonicContact OD2-NZ 3.12Å; D200-K339 PolarHBondContact OD2-NZ 3.03Å |
| 201 | A | 55.8 | Low | 71.4 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -69.6 | -54.2 | 179 | 0 | 0 | 0 | 0 | 0 | 109.8 | L193 I198 S203 R204 V205 | L193-A201 HydrophobicContact CD2-CB 3.97Å; I198-A201 PolarHBondContact O-N 3.21Å; I198-A201 VanDerWaalsContact O-N 3.13Å; A201-S203 VanDerWaalsContact C-N 3.34Å; A201-S203 PolarHBondContact O-N 3.08Å; A201-R204 PolarHBondContact O-N 3.5Å; A201-V205 VanDerWaalsContact C-CG2 3.47Å; A201-V205 HydrophobicContact CB-CG2 4.27Å; A201-V205 WeakPolarHBondContact O-CB 3.37Å; A201-V205 WeakPolarHBondContact O-CG2 3.14Å; A201-V205 PolarHBondContact O-N 2.92Å |
| 202 | L | 60.7 | Low | 70.9 | Confident | 63 Ų | 63 | 59.6 Ų | 59.6 | 33% | 0.33 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -58.8 | -39.9 | -168.8 | -76.9 | 178.2 | 0 | 0 | 0 | 114.3 | I54 I198 R204 F215 | I54-L202 HydrophobicContact CD1-CD2 3.97Å; I198-L202 HydrophobicContact CG2-CD1 3.42Å; I198-L202 VanDerWaalsContact CG2-CD1 3.42Å; I198-L202 HydrophobicContact CG2-CG 3.98Å; I198-L202 PolarHBondContact O-N 3.48Å; L202-R204 VanDerWaalsContact C-N 3.34Å; L202-R204 PolarHBondContact O-N 2.64Å; L202-F215 HydrophobicContact CD2-CD2 4.05Å; L202-F215 HydrophobicContact CD2-CE2 3.91Å; L202-F215 HydrophobicContact CG-CE2 4.43Å |
| 203 | S | 61.9 | Low | 70.6 | Confident | 77 Ų | 77 | 61.5 Ų | 61.5 | 54% | 0.538 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -65.8 | -36 | -173.7 | 56.6 | 0 | 0 | 0 | 0 | 112.8 | A201 | A201-S203 VanDerWaalsContact C-N 3.34Å; A201-S203 PolarHBondContact O-N 3.08Å |
| 204 | R | 58.7 | Low | 70.6 | Confident | 77 Ų | 77 | 64.5 Ų | 64.5 | 29% | 0.291 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -100.9 | -19.4 | -179.1 | -73.6 | 176.8 | 168.9 | -149.1 | -10.2 | 113.7 | L170 D175 A201 L202 Q206 E207 | L170-R204 HydrophobicContact CB-CB 4.15Å; L170-R204 HydrophobicContact CD1-CB 3.9Å; L170-R204 HydrophobicContact CD2-CB 4.33Å; L170-R204 HydrophobicContact CG-CB 4.34Å; L170-R204 WeakPolarHBondContact O-CD 3.47Å; L170-R204 PolarHBondContact O-NE 3.31Å; L170-R204 PolarHBondContact O-NH1 2.88Å; D175-R204 VanDerWaalsContact CG-NH1 3.29Å; D175-R204 IonicContact OD1-CZ 3.36Å; D175-R204 IonicContact OD1-NH1 3.13Å; D175-R204 PolarHBondContact OD1-NH1 3.25Å; D175-R204 IonicContact OD1-NH2 2.69Å; D175-R204 IonicContact OD2-CZ 2.97Å; D175-R204 IonicContact OD2-NH1 3.86Å; D175-R204 PolarHBondContact OD2-NH1 3.46Å; D175-R204 VanDerWaalsContact OD2-NH1 3.12Å; D175-R204 IonicContact OD2-NH2 3.43Å; D175-R204 PolarHBondContact OD2-NH2 3.16Å; A201-R204 PolarHBondContact O-N 3.5Å; L202-R204 VanDerWaalsContact C-N 3.34Å; L202-R204 PolarHBondContact O-N 2.64Å; R204-Q206 PolarHBondContact O-N 2.97Å; R204-E207 PolarHBondContact O-N 2.95Å |
| 205 | V | 60.9 | Low | 70.5 | Confident | 1 Ų | 1 | 68.4 Ų | 68.4 | 1% | 0.006 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -58 | -38.7 | 173.6 | 176.8 | 0 | 0 | 0 | 0 | 111.3 | I54 L193 A201 E207 V208 S209 | I54-V205 HydrophobicContact CD1-CB 4.08Å; I54-V205 HydrophobicContact CD1-CG1 3.56Å; I54-V205 HydrophobicContact CD1-CG2 4.11Å; I54-V205 HydrophobicContact CG1-CG1 3.92Å; I54-V205 HydrophobicContact CG1-CG2 4.47Å; L193-V205 HydrophobicContact CB-CG2 4.44Å; L193-V205 HydrophobicContact CD1-CB 4.02Å; L193-V205 HydrophobicContact CD1-CG1 3.96Å; L193-V205 HydrophobicContact CD1-CG2 3.25Å; L193-V205 HydrophobicContact CD2-CG2 3.4Å; L193-V205 HydrophobicContact CG-CG2 3.81Å; A201-V205 VanDerWaalsContact C-CG2 3.47Å; A201-V205 HydrophobicContact CB-CG2 4.27Å; A201-V205 WeakPolarHBondContact O-CB 3.37Å; A201-V205 WeakPolarHBondContact O-CG2 3.14Å; A201-V205 PolarHBondContact O-N 2.92Å; V205-E207 PolarHBondContact O-N 3.09Å; V205-E207 VanDerWaalsContact O-N 3.11Å; V205-V208 PolarHBondContact O-N 3.28Å; V205-S209 WeakPolarHBondContact CG1-OG 3.18Å; V205-S209 PolarHBondContact O-N 3.1Å |
| 206 | Q | 62.2 | Low | 70.8 | Confident | 160 Ų | 160 | 69.9 Ų | 69.9 | 75% | 0.748 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -59.6 | -24.7 | -177.5 | -69.4 | -174.4 | -2.2 | 0 | 0 | 112.9 | R204 | R204-Q206 PolarHBondContact O-N 2.97Å |
| 207 | E | 67.6 | Low | 71.3 | Confident | 164 Ų | 164 | 73.1 Ų | 73.1 | 77% | 0.766 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -80.8 | -23.1 | 177.2 | -59.7 | 179.5 | 173.9 | 0 | 0 | 112.7 | R204 V205 | R204-E207 PolarHBondContact O-N 2.95Å; V205-E207 PolarHBondContact O-N 3.09Å; V205-E207 VanDerWaalsContact O-N 3.11Å |
| 208 | V | 70.7 | Confident | 72.1 | Confident | 10 Ų | 10 | 74.3 Ų | 74.3 | 6% | 0.061 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -100.2 | -34.9 | -173.6 | -170.7 | 0 | 0 | 0 | 0 | 112.1 | L161 L163 F182 R189 T191 V205 | L161-V208 HydrophobicContact CD2-CG1 3.81Å; L163-V208 HydrophobicContact CD1-CG1 4.33Å; F182-V208 HydrophobicContact CD2-CG2 4.28Å; F182-V208 HydrophobicContact CE1-CG1 4.1Å; F182-V208 HydrophobicContact CE2-CB 4.4Å; F182-V208 HydrophobicContact CE2-CG1 3.98Å; F182-V208 HydrophobicContact CE2-CG2 3.49Å; F182-V208 VanDerWaalsContact CE2-CG2 3.49Å; F182-V208 HydrophobicContact CZ-CG1 3.71Å; F182-V208 HydrophobicContact CZ-CG2 3.89Å; R189-V208 PolarHBondContact NH2-O 3.28Å; T191-V208 HydrophobicContact CG2-CG1 4.19Å; V205-V208 PolarHBondContact O-N 3.28Å |
| 209 | S | 70.3 | Confident | 72.3 | Confident | 20 Ų | 20 | 81.5 Ų | 81.5 | 14% | 0.14 | 40% | 0.399 | C | S | . | . | trans | -77.8 | 135 | 179.5 | -67.2 | 0 | 0 | 0 | 0 | 111.5 | V205 | V205-S209 WeakPolarHBondContact CG1-OG 3.18Å; V205-S209 PolarHBondContact O-N 3.1Å | ||
| 210 | V | 68.7 | Low | 72.2 | Confident | 86 Ų | 86 | 79.3 Ų | 79.3 | 52% | 0.521 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -90.7 | -26 | -176.8 | -179.8 | 0 | 0 | 0 | 0 | 110.4 | D52 K187 | D52-V210 PolarHBondContact OD2-N 2.84Å; K187-V210 WeakPolarHBondContact O-CG2 3.27Å |
| 211 | K | 79 | Confident | 72 | Confident | 123 Ų | 123 | 82.1 Ų | 82.1 | 54% | 0.535 | 41% | 0.412 | S | S | . | . | S | Bend | trans | -119.8 | 160.9 | -179.3 | -60.9 | 175.8 | -174.9 | 173.1 | 0 | 109.7 | D52 P213 | D52-K211 PolarHBondContact OD2-N 3.15Å; K211-P213 VanDerWaalsContact O-CD 3.24Å; K211-P213 WeakPolarHBondContact O-CD 3.02Å; K211-P213 VanDerWaalsContact O-N 3.15Å |
| 212 | K | 84.3 | Confident | 71.9 | Confident | 202 Ų | 202 | 84.1 Ų | 84.1 | 88% | 0.878 | 42% | 0.424 | S | S | * | . | P | Polyproline II helix | trans | -60.2 | 116.5 | 170.5 | -175.8 | 176.5 | 180 | 177.8 | 0 | 108.8 | ||
| 213 | P | 88.9 | Confident | 72 | Confident | 39 Ų | 39 | 84.4 Ų | 84.4 | 25% | 0.253 | 43% | 0.429 | S | S | . | . | P | Polyproline II helix | trans | -78.6 | 149.8 | -175.7 | 30.5 | -32.4 | 0 | 0 | 0 | 111.3 | D52 I54 K211 | D52-P213 HydrophobicContact CB-CB 3.97Å; D52-P213 CarbonylContact O-C 3.6Å; D52-P213 VanDerWaalsContact O-CA 3.32Å; D52-P213 WeakPolarHBondContact O-CA 3.5Å; I54-P213 HydrophobicContact CD1-CB 4.12Å; I54-P213 HydrophobicContact CD1-CG 3.64Å; I54-P213 HydrophobicContact CG1-CB 3.98Å; I54-P213 HydrophobicContact CG1-CG 4.08Å; K211-P213 VanDerWaalsContact O-CD 3.24Å; K211-P213 WeakPolarHBondContact O-CD 3.02Å; K211-P213 VanDerWaalsContact O-N 3.15Å |
| 214 | Y | 92.1 | Very high | 72.1 | Confident | 63 Ų | 63 | 81.2 Ų | 81.2 | 25% | 0.247 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 130 | 160.5 | 171 | -98.4 | 0 | 0 | 0 | 108.8 | Q46 D52 V53 I54 W216 | Q46-Y214 HydrophobicContact CB-CD1 3.84Å; Q46-Y214 HydrophobicContact CB-CE1 4.28Å; Q46-Y214 HydrophobicContact CB-CG 4.07Å; Q46-Y214 HydrophobicContact CG-CD1 3.61Å; Q46-Y214 HydrophobicContact CG-CD2 4.05Å; Q46-Y214 HydrophobicContact CG-CE1 3.61Å; Q46-Y214 HydrophobicContact CG-CE2 4.07Å; Q46-Y214 HydrophobicContact CG-CG 3.82Å; D52-Y214 PolarHBondContact O-N 2.94Å; V53-Y214 CarbonylContact C-O 3.53Å; V53-Y214 WeakPolarHBondContact CA-O 3.33Å; V53-Y214 HydrophobicContact CG1-CD1 4.3Å; V53-Y214 HydrophobicContact CG2-CD1 4.3Å; I54-Y214 PolarHBondContact N-O 3.41Å; Y214-W216 HydrophobicContact CD1-CB 4.5Å; Y214-W216 HydrophobicContact CE1-CB 3.63Å |
| 215 | F | 89.4 | Confident | 72.6 | Confident | 82 Ų | 82 | 79.8 Ų | 79.8 | 36% | 0.36 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 126.9 | -177.8 | 180 | -95 | 0 | 0 | 0 | 109.7 | I54 I198 L202 Q217 | I54-F215 HydrophobicContact CB-CD2 3.84Å; I54-F215 HydrophobicContact CB-CE2 4.48Å; I54-F215 HydrophobicContact CD1-CD2 4.34Å; I54-F215 HydrophobicContact CG2-CD2 3.72Å; I54-F215 HydrophobicContact CG2-CE2 3.87Å; I198-F215 HydrophobicContact CD1-CE1 4.41Å; I198-F215 HydrophobicContact CD1-CE2 4.44Å; I198-F215 HydrophobicContact CD1-CZ 3.57Å; I198-F215 HydrophobicContact CG1-CE2 4.24Å; I198-F215 HydrophobicContact CG1-CZ 3.83Å; L202-F215 HydrophobicContact CD2-CD2 4.05Å; L202-F215 HydrophobicContact CD2-CE2 3.91Å; L202-F215 HydrophobicContact CG-CE2 4.43Å; F215-Q217 HydrophobicContact CE1-CB 3.87Å; F215-Q217 HydrophobicContact CZ-CB 4.04Å |
| 216 | W | 90.5 | Very high | 73.1 | Confident | 32 Ų | 32 | 85.7 Ų | 85.7 | 12% | 0.121 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 135.3 | 171.8 | -179.8 | 86.8 | 0 | 0 | 0 | 110.4 | P38 V39 N42 I54 C56 Y214 E218 | P38-W216 HydrophobicContact CB-CH2 3.9Å; P38-W216 HydrophobicContact CB-CZ2 3.79Å; V39-W216 VanDerWaalsContact CA-CZ3 3.44Å; V39-W216 HydrophobicContact CB-CE3 4.19Å; V39-W216 HydrophobicContact CB-CH2 3.86Å; V39-W216 HydrophobicContact CB-CZ3 3.41Å; V39-W216 VanDerWaalsContact CB-CZ3 3.41Å; V39-W216 HydrophobicContact CG2-CE3 3.95Å; V39-W216 HydrophobicContact CG2-CH2 4.49Å; V39-W216 HydrophobicContact CG2-CZ3 3.58Å; N42-W216 HydrophobicContact CB-CB 4.49Å; N42-W216 HydrophobicContact CB-CD2 3.86Å; N42-W216 HydrophobicContact CB-CG 3.67Å; N42-W216 HydrophobicContact CB-CZ2 4.5Å; N42-W216 PolarHBondContact ND2-NE1 3.07Å; I54-W216 PolarHBondContact O-N 2.95Å; C56-W216 PolarHBondContact N-O 3.33Å; Y214-W216 HydrophobicContact CD1-CB 4.5Å; Y214-W216 HydrophobicContact CE1-CB 3.63Å; W216-E218 HydrophobicContact CH2-CB 3.76Å; W216-E218 HydrophobicContact CH2-CG 4.37Å; W216-E218 HydrophobicContact CZ2-CB 4.39Å; W216-E218 HydrophobicContact CZ3-CB 4.2Å |
| 217 | Q | 85.9 | Confident | 74 | Confident | 100 Ų | 100 | 80.7 Ų | 80.7 | 47% | 0.467 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 136.2 | 177.8 | 177.4 | -171 | -0.3 | 0 | 0 | 109.4 | C56 I198 F215 E219 | C56-Q217 HydrophobicContact CB-CB 4.27Å; C56-Q217 HydrophobicContact CB-CG 4.24Å; C56-Q217 WeakPolarHBondContact O-CA 3.22Å; I198-Q217 HydrophobicContact CD1-CB 4.01Å; I198-Q217 HydrophobicContact CD1-CG 3.56Å; F215-Q217 HydrophobicContact CE1-CB 3.87Å; F215-Q217 HydrophobicContact CZ-CB 4.04Å; Q217-E219 PolarHBondContact O-N 2.88Å |
| 218 | E | 81.9 | Confident | 75 | Confident | 60 Ų | 60 | 73.4 Ų | 73.4 | 28% | 0.28 | 38% | 0.384 | S | S | . | . | trans | -71.7 | 119.6 | 166.1 | -169.2 | 170.6 | -146.2 | 0 | 0 | 110.7 | C56 S57 K58 W216 | C56-E218 PolarHBondContact O-N 3.1Å; S57-E218 WeakPolarHBondContact CB-OE2 3.5Å; K58-E218 PolarHBondContact N-OE2 2.78Å; W216-E218 HydrophobicContact CH2-CB 3.76Å; W216-E218 HydrophobicContact CH2-CG 4.37Å; W216-E218 HydrophobicContact CZ2-CB 4.39Å; W216-E218 HydrophobicContact CZ3-CB 4.2Å | ||
| 219 | E | 68.8 | Low | 75.9 | Confident | 189 Ų | 189 | 76.2 Ų | 76.2 | 88% | 0.883 | 40% | 0.396 | S | S | * | . | trans | -67.9 | 132.7 | 172.9 | -72.3 | -174.2 | 174.7 | 0 | 0 | 110.5 | Q217 | Q217-E219 PolarHBondContact O-N 2.88Š| ||
| 220 | S | 60 | Low | 77.1 | Confident | 61 Ų | 61 | 76.4 Ų | 76.4 | 43% | 0.427 | 40% | 0.395 | S | S | . | . | trans | -149 | 128.9 | 177.3 | -170.7 | 0 | 0 | 0 | 0 | 111.2 | K58 T222 | K58-S220 WeakPolarHBondContact CE-OG 3.15Å; K58-S220 PolarHBondContact NZ-OG 2.98Å; S220-T222 PolarHBondContact OG-O 3.41Å | ||
| 221 | S | 52.8 | Low | 78.4 | Confident | 115 Ų | 115 | 76.1 Ų | 76.1 | 80% | 0.804 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -73.2 | -28.5 | 176.3 | 53.6 | 0 | 0 | 0 | 0 | 112.9 | ||
| 222 | T | 54.7 | Low | 79.2 | Confident | 42 Ų | 42 | 73 Ų | 73 | 26% | 0.258 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -123.1 | 142.9 | 179.4 | 53.9 | 0 | 0 | 0 | 0 | 110.1 | K58 S220 T224 D226 | K58-T222 PolarHBondContact NZ-O 3.42Å; S220-T222 PolarHBondContact OG-O 3.41Å; T222-T224 VanDerWaalsContact C-N 3.29Å; T222-T224 CarbonylContact C-O 3.59Å; T222-T224 PolarHBondContact O-N 2.72Å; T222-T224 PolarHBondContact OG1-O 2.95Å; T222-D226 PolarHBondContact OG1-OD1 2.72Å |
| 223 | V | 62.9 | Low | 79.9 | Confident | 70 Ų | 70 | 63.5 Ų | 63.5 | 42% | 0.424 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -68.9 | -34.8 | 178.3 | -169.1 | 0 | 0 | 0 | 0 | 110.4 | V342 T375 | V223-V342 HydrophobicContact CB-CG2 4.36Å; V223-V342 HydrophobicContact CG1-CB 4.25Å; V223-V342 HydrophobicContact CG1-CG1 3.53Å; V223-V342 HydrophobicContact CG1-CG2 3.69Å; V223-T375 WeakPolarHBondContact CG2-O 3.32Å |
| 224 | T | 64.1 | Low | 80.2 | Confident | 10 Ų | 10 | 66 Ų | 66 | 6% | 0.061 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -85 | 174.5 | 172.8 | 51.8 | 0 | 0 | 0 | 0 | 112.1 | K58 T222 L228 Q230 V345 I376 | K58-T224 PolarHBondContact NZ-O 3.09Å; T222-T224 VanDerWaalsContact C-N 3.29Å; T222-T224 CarbonylContact C-O 3.59Å; T222-T224 PolarHBondContact O-N 2.72Å; T222-T224 PolarHBondContact OG1-O 2.95Å; T224-L228 HydrophobicContact CG2-CD2 4.24Å; T224-Q230 PolarHBondContact OG1-NE2 3.48Å; T224-V345 HydrophobicContact CG2-CG2 3.84Å; T224-I376 HydrophobicContact CG2-CG2 4.35Å |
| 225 | V | 68.3 | Low | 80.4 | Confident | 46 Ų | 46 | 63.2 Ų | 63.2 | 28% | 0.279 | 33% | 0.329 | S | S | . | . | trans | -87.3 | 140.4 | 176.2 | -144.7 | 0 | 0 | 0 | 0 | 108.8 | T227 L228 A349 | V225-T227 PolarHBondContact O-N 2.76Å; V225-L228 WeakPolarHBondContact O-CB 3.32Å; V225-L228 PolarHBondContact O-N 3.34Å; V225-A349 HydrophobicContact CB-CB 4.48Å | ||
| 226 | D | 72.6 | Confident | 80.7 | Confident | 126 Ų | 126 | 62.3 Ų | 62.3 | 67% | 0.674 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -24.3 | -175.7 | -62.1 | -27 | 0 | 0 | 0 | 113.4 | T222 L228 | T222-D226 PolarHBondContact OG1-OD1 2.72Å; D226-L228 PolarHBondContact O-N 3.13Å |
| 227 | T | 81.2 | Confident | 80.8 | Confident | 54 Ų | 54 | 66.7 Ų | 66.7 | 33% | 0.331 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | 1.1 | 176.2 | 59.5 | 0 | 0 | 0 | 0 | 113.5 | V225 R353 P354 G355 | V225-T227 PolarHBondContact O-N 2.76Å; T227-R353 WeakPolarHBondContact CB-O 3.38Å; T227-R353 PolarHBondContact OG1-O 2.92Å; T227-P354 WeakPolarHBondContact O-CA 3.3Å; T227-G355 PolarHBondContact O-N 3.27Å; T227-G355 VanDerWaalsContact O-N 3.1Å |
| 228 | L | 87 | Confident | 81.2 | Confident | 12 Ų | 12 | 68.2 Ų | 68.2 | 6% | 0.063 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 112.2 | 178.6 | -175.3 | 68.7 | 0 | 0 | 0 | 111.3 | T224 V225 D226 Q230 V345 A349 A357 | T224-L228 HydrophobicContact CG2-CD2 4.24Å; V225-L228 WeakPolarHBondContact O-CB 3.32Å; V225-L228 PolarHBondContact O-N 3.34Å; D226-L228 PolarHBondContact O-N 3.13Å; L228-Q230 HydrophobicContact CD2-CG 3.69Å; L228-Q230 HydrophobicContact CG-CG 3.74Å; L228-Q230 PolarHBondContact O-N 3.21Å; L228-V345 HydrophobicContact CD2-CB 3.8Å; L228-V345 HydrophobicContact CD2-CG2 3.61Å; L228-A349 HydrophobicContact CB-CB 3.67Å; L228-A349 HydrophobicContact CD1-CB 3.76Å; L228-A349 HydrophobicContact CG-CB 4.31Å; L228-A357 HydrophobicContact CD1-CB 4.2Å |
| 229 | E | 91.5 | Very high | 81.8 | Confident | 68 Ų | 68 | 66.9 Ų | 66.9 | 32% | 0.318 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 112.6 | 170.1 | -177 | -178.5 | -164.5 | 0 | 0 | 110.1 | R231 G355 K356 A357 | E229-R231 HydrophobicContact CG-CG 4.33Å; E229-R231 IonicContact OE1-CZ 3.07Å; E229-R231 IonicContact OE1-NE 2.72Å; E229-R231 PolarHBondContact OE1-NE 3.5Å; E229-R231 IonicContact OE1-NH2 2.65Å; E229-R231 PolarHBondContact OE1-NH2 2.99Å; E229-G355 PolarHBondContact N-O 3.31Å; E229-K356 HydrophobicContact CB-CG 4.3Å; E229-K356 CarbonylContact O-C 3.58Å; E229-K356 WeakPolarHBondContact O-CA 3.44Å; E229-K356 WeakPolarHBondContact OE2-CD 3.11Å; E229-K356 WeakPolarHBondContact OE2-CE 3.39Å; E229-K356 IonicContact OE2-NZ 3.48Å; E229-A357 PolarHBondContact O-N 3.21Å |
| 230 | Q | 93.8 | Very high | 83.2 | Confident | 24 Ų | 24 | 59 Ų | 59 | 11% | 0.112 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 121.7 | -177.3 | -59.1 | 177.5 | 73.3 | 0 | 0 | 110.7 | T224 L228 Y341 L380 | T224-Q230 PolarHBondContact OG1-NE2 3.48Å; L228-Q230 HydrophobicContact CD2-CG 3.69Å; L228-Q230 HydrophobicContact CG-CG 3.74Å; L228-Q230 PolarHBondContact O-N 3.21Å; Q230-Y341 PolarHBondContact OE1-OH 3.29Å; Q230-L380 HydrophobicContact CB-CD2 3.71Å |
| 231 | R | 96.2 | Very high | 85 | Confident | 80 Ų | 80 | 57.1 Ų | 57.1 | 30% | 0.302 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 160.8 | 179 | -61.5 | -162.9 | -174.8 | -157.9 | 4.9 | 112.4 | E229 A357 V358 T359 K381 L383 | E229-R231 HydrophobicContact CG-CG 4.33Å; E229-R231 IonicContact OE1-CZ 3.07Å; E229-R231 IonicContact OE1-NE 2.72Å; E229-R231 PolarHBondContact OE1-NE 3.5Å; E229-R231 IonicContact OE1-NH2 2.65Å; E229-R231 PolarHBondContact OE1-NH2 2.99Å; R231-A357 PolarHBondContact N-O 3.11Å; R231-V358 CarbonylContact O-C 3.25Å; R231-V358 WeakPolarHBondContact O-CA 3.31Å; R231-T359 PolarHBondContact O-N 2.95Å; R231-K381 CarbonylContact C-O 3.54Å; R231-K381 WeakPolarHBondContact CA-O 3.35Å; R231-K381 VanDerWaalsContact CB-O 3.24Å; R231-K381 WeakPolarHBondContact CB-O 3.46Å; R231-L383 HydrophobicContact CB-CB 3.94Å; R231-L383 HydrophobicContact CG-CB 4.49Å |
| 232 | Y | 97.3 | Very high | 87.1 | Confident | 58 Ų | 58 | 51.8 Ų | 51.8 | 23% | 0.227 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 153.4 | 167.3 | 76.2 | -90.4 | 0 | 0 | 0 | 111.5 | L234 T359 V361 L380 K381 E382 L383 | Y232-L234 HydrophobicContact CD2-CB 4.43Å; Y232-L234 HydrophobicContact CE2-CB 4.09Å; Y232-T359 CarbonylContact C-O 3.58Å; Y232-T359 WeakPolarHBondContact CA-O 3.42Å; Y232-T359 WeakPolarHBondContact CB-O 3.48Å; Y232-V361 HydrophobicContact CD2-CG2 4.43Å; Y232-L380 HydrophobicContact CD1-CB 3.76Å; Y232-L380 WeakPolarHBondContact CE1-O 3.23Å; Y232-K381 PolarHBondContact N-O 3.01Å; Y232-E382 HydrophobicContact CD2-CG 4.43Å; Y232-E382 HydrophobicContact CE1-CB 3.87Å; Y232-E382 HydrophobicContact CE1-CG 4.49Å; Y232-E382 HydrophobicContact CE2-CB 4.07Å; Y232-E382 HydrophobicContact CE2-CG 3.78Å; Y232-E382 CarbonylContact O-C 3.56Å; Y232-E382 WeakPolarHBondContact O-CA 3.37Å; Y232-L383 PolarHBondContact O-N 3.27Å |
| 233 | V | 97.7 | Very high | 89.2 | Confident | 2 Ų | 2 | 50.5 Ų | 50.5 | 1% | 0.012 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 115.1 | 169.3 | 175.7 | 0 | 0 | 0 | 0 | 107.2 | C235 Y243 V358 T359 F360 V361 L383 L385 | V233-C235 HydrophobicContact CG1-CB 4.36Å; V233-Y243 HydrophobicContact CG1-CD1 3.96Å; V233-V358 HydrophobicContact CG2-CG1 3.63Å; V233-T359 PolarHBondContact N-O 3.05Å; V233-F360 HydrophobicContact CB-CD1 3.77Å; V233-F360 HydrophobicContact CB-CE1 3.71Å; V233-F360 HydrophobicContact CB-CG 4.46Å; V233-F360 HydrophobicContact CB-CZ 4.38Å; V233-F360 HydrophobicContact CG1-CD1 3.9Å; V233-F360 HydrophobicContact CG1-CE1 3.72Å; V233-F360 HydrophobicContact CG2-CD1 4.45Å; V233-F360 HydrophobicContact CG2-CE1 3.95Å; V233-F360 HydrophobicContact CG2-CZ 4.18Å; V233-V361 PolarHBondContact O-N 2.82Å; V233-L383 HydrophobicContact CG2-CB 3.94Å; V233-L383 HydrophobicContact CG2-CD2 4.06Å; V233-L383 HydrophobicContact CG2-CG 4.21Å; V233-L385 HydrophobicContact CG1-CD1 4Å; V233-L385 HydrophobicContact CG1-CG 4.35Å; V233-L385 HydrophobicContact CG2-CD1 4.02Å; V233-L385 HydrophobicContact CG2-CG 4.27Å |
| 234 | L | 96.3 | Very high | 90.9 | Very high | 92 Ų | 92 | 47.1 Ų | 47.1 | 48% | 0.482 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 125.2 | 168.1 | -178 | 62.9 | 0 | 0 | 0 | 108.5 | Y232 V361 | Y232-L234 HydrophobicContact CD2-CB 4.43Å; Y232-L234 HydrophobicContact CE2-CB 4.09Å; L234-V361 WeakPolarHBondContact CA-O 3.44Å |
| 235 | C | 95.5 | Very high | 92.5 | Very high | 4 Ų | 4 | 46.8 Ų | 46.8 | 3% | 0.027 | 24% | 0.238 | C | C | . | . | trans | -146.2 | 153.1 | -178.5 | 57.5 | 0 | 0 | 0 | 0 | 111.8 | V233 Y243 V361 | V233-C235 HydrophobicContact CG1-CB 4.36Å; C235-Y243 HydrophobicContact CB-CD1 3.73Å; C235-Y243 HydrophobicContact CB-CD2 3.72Å; C235-Y243 HydrophobicContact CB-CE1 3.99Å; C235-Y243 HydrophobicContact CB-CE2 3.99Å; C235-Y243 HydrophobicContact CB-CG 3.61Å; C235-V361 PolarHBondContact N-O 2.83Å | ||
| 236 | P | 95.1 | Very high | 93.9 | Very high | 63 Ų | 63 | 45.5 Ų | 45.5 | 41% | 0.409 | 23% | 0.228 | S | C | . | . | trans | -66.2 | 137.2 | 174.2 | -12.7 | 26 | 0 | 0 | 0 | 110.5 | D238 V239 K240 | P236-D238 VanDerWaalsContact C-N 3.27Å; P236-D238 PolarHBondContact O-N 2.98Å; P236-V239 HydrophobicContact CB-CG2 3.85Å; P236-V239 HydrophobicContact CG-CG2 3.85Å; P236-V239 PolarHBondContact O-N 3.46Å; P236-K240 PolarHBondContact O-N 3.4Å | ||
| 237 | K | 93.7 | Very high | 95 | Very high | 124 Ų | 124 | 40 Ų | 40 | 54% | 0.539 | 20% | 0.2 | S | C | . | . | G | 310 helix | trans | -52.4 | -42.3 | -176.3 | 179.3 | -176.9 | 172.9 | -174.2 | 0 | 113.6 | V239 T362 F364 | K237-V239 VanDerWaalsContact C-N 3.31Å; K237-V239 PolarHBondContact O-N 3.05Å; K237-T362 HydrophobicContact CB-CG2 4.03Å; K237-F364 HydrophobicContact CD-CD2 4.28Å; K237-F364 HydrophobicContact CD-CE2 3.99Å |
| 238 | D | 93.6 | Very high | 95.8 | Very high | 132 Ų | 132 | 37.4 Ų | 37.4 | 71% | 0.706 | 18% | 0.184 | S | C | * | . | G | 310 helix | trans | -77 | -18.2 | -170.6 | -60.2 | -39.3 | 0 | 0 | 0 | 113.6 | P236 | P236-D238 VanDerWaalsContact C-N 3.27Å; P236-D238 PolarHBondContact O-N 2.98Å |
| 239 | V | 95.6 | Very high | 96.1 | Very high | 33 Ų | 33 | 39.5 Ų | 39.5 | 20% | 0.2 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -117.3 | 9.5 | 177.9 | -63.9 | 0 | 0 | 0 | 0 | 112.8 | P236 K237 D241 A242 Y243 V394 | P236-V239 HydrophobicContact CB-CG2 3.85Å; P236-V239 HydrophobicContact CG-CG2 3.85Å; P236-V239 PolarHBondContact O-N 3.46Å; K237-V239 VanDerWaalsContact C-N 3.31Å; K237-V239 PolarHBondContact O-N 3.05Å; V239-D241 PolarHBondContact O-N 3.29Å; V239-A242 WeakPolarHBondContact O-CB 3.46Å; V239-A242 PolarHBondContact O-N 2.94Å; V239-Y243 HydrophobicContact CG2-CD2 4.16Å; V239-Y243 HydrophobicContact CG2-CE2 3.71Å; V239-Y243 WeakPolarHBondContact O-CD2 3.14Å; V239-Y243 PolarHBondContact O-N 3.46Å; V239-V394 HydrophobicContact CB-CG2 4.24Å; V239-V394 HydrophobicContact CG1-CG1 3.72Å; V239-V394 HydrophobicContact CG1-CG2 4.15Å |
| 240 | K | 97.1 | Very high | 96.2 | Very high | 22 Ų | 22 | 38.4 Ų | 38.4 | 10% | 0.096 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -50.3 | -43.5 | -178.6 | 179.3 | 175 | 70.4 | 159.7 | 0 | 112.8 | P236 A242 Y243 V244 H332 N333 F360 T362 | P236-K240 PolarHBondContact O-N 3.4Å; K240-A242 PolarHBondContact O-N 3.22Å; K240-Y243 WeakPolarHBondContact O-CB 3.29Å; K240-Y243 PolarHBondContact O-N 3.46Å; K240-V244 HydrophobicContact CG-CG2 4.35Å; K240-V244 WeakPolarHBondContact O-CG2 3.32Å; K240-V244 PolarHBondContact O-N 3.16Å; K240-H332 PolarHBondContact NZ-CE1 3.29Å; K240-H332 PolarHBondContact NZ-O 3.2Å; K240-N333 PolarHBondContact NZ-ND2 3.38Å; K240-F360 HydrophobicContact CD-CB 4.19Å; K240-F360 HydrophobicContact CG-CB 4.34Å; K240-T362 HydrophobicContact CD-CG2 4.3Å |
| 241 | D | 98 | Very high | 96.1 | Very high | 23 Ų | 23 | 38.6 Ų | 38.6 | 12% | 0.123 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59 | -35 | -179.3 | -68.5 | 15.6 | 0 | 0 | 0 | 111.3 | V239 V244 V245 M276 H332 V397 K401 | V239-D241 PolarHBondContact O-N 3.29Å; D241-V244 PolarHBondContact O-N 3.1Å; D241-V245 WeakPolarHBondContact O-CG2 3.42Å; D241-V245 PolarHBondContact O-N 3.42Å; D241-M276 HydrophobicContact CB-CE 4.32Å; D241-M276 HydrophobicContact CB-SD 4.12Å; D241-H332 IonicContact OD1-CE1 3.99Å; D241-H332 IonicContact OD1-NE2 3.98Å; D241-H332 PolarHBondContact OD1-NE2 3.23Å; D241-V397 HydrophobicContact CB-CG1 3.83Å; D241-K401 WeakPolarHBondContact OD2-CD 3.18Å; D241-K401 WeakPolarHBondContact OD2-CE 3.13Å; D241-K401 IonicContact OD2-NZ 2.66Å; D241-K401 PolarHBondContact OD2-NZ 3.08Å |
| 242 | A | 98.1 | Very high | 95.9 | Very high | 2 Ų | 2 | 36.1 Ų | 36.1 | 2% | 0.017 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -69.7 | -37.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | V239 K240 V244 V245 Y246 V390 V394 V397 | V239-A242 WeakPolarHBondContact O-CB 3.46Å; V239-A242 PolarHBondContact O-N 2.94Å; K240-A242 PolarHBondContact O-N 3.22Å; A242-V244 VanDerWaalsContact C-N 3.32Å; A242-V245 PolarHBondContact O-N 3.2Å; A242-Y246 VanDerWaalsContact O-CB 3.3Å; A242-Y246 WeakPolarHBondContact O-CB 3.47Å; A242-Y246 PolarHBondContact O-N 3.34Å; A242-V390 HydrophobicContact CB-CG1 3.96Å; A242-V394 HydrophobicContact CB-CB 4.49Å; A242-V394 HydrophobicContact CB-CG2 3.84Å; A242-V397 HydrophobicContact CB-CB 4.17Å; A242-V397 HydrophobicContact CB-CG1 4.24Å; A242-V397 HydrophobicContact CB-CG2 4.28Å |
| 243 | Y | 98.4 | Very high | 95.6 | Very high | 15 Ų | 15 | 39 Ų | 39 | 6% | 0.059 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.1 | -40.4 | 172.1 | -78.1 | -104.4 | 0 | 0 | 0 | 111.3 | V233 C235 V239 K240 Y246 A247 L385 D387 V390 | V233-Y243 HydrophobicContact CG1-CD1 3.96Å; C235-Y243 HydrophobicContact CB-CD1 3.73Å; C235-Y243 HydrophobicContact CB-CD2 3.72Å; C235-Y243 HydrophobicContact CB-CE1 3.99Å; C235-Y243 HydrophobicContact CB-CE2 3.99Å; C235-Y243 HydrophobicContact CB-CG 3.61Å; V239-Y243 HydrophobicContact CG2-CD2 4.16Å; V239-Y243 HydrophobicContact CG2-CE2 3.71Å; V239-Y243 WeakPolarHBondContact O-CD2 3.14Å; V239-Y243 PolarHBondContact O-N 3.46Å; K240-Y243 WeakPolarHBondContact O-CB 3.29Å; K240-Y243 PolarHBondContact O-N 3.46Å; Y243-Y246 PolarHBondContact O-N 3.48Å; Y243-A247 WeakPolarHBondContact O-CB 3.41Å; Y243-A247 PolarHBondContact O-N 3.28Å; Y243-L385 HydrophobicContact CD1-CB 4.36Å; Y243-L385 HydrophobicContact CD1-CD1 4.28Å; Y243-D387 PolarHBondContact OH-OD1 3.02Å; Y243-V390 HydrophobicContact CD1-CG1 4.38Å; Y243-V390 HydrophobicContact CD1-CG2 4Å; Y243-V390 HydrophobicContact CD2-CG1 3.59Å; Y243-V390 HydrophobicContact CE1-CG2 4.12Å; Y243-V390 HydrophobicContact CE2-CB 4.44Å; Y243-V390 HydrophobicContact CE2-CG1 3.73Å; Y243-V390 HydrophobicContact CG-CG1 3.92Å; Y243-V390 HydrophobicContact CG-CG2 4.27Å |
| 244 | V | 98.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.3 | -48.6 | 177.4 | -176.3 | 0 | 0 | 0 | 0 | 110.9 | K240 D241 A242 Y246 A247 V248 I262 F277 I330 F360 | K240-V244 HydrophobicContact CG-CG2 4.35Å; K240-V244 WeakPolarHBondContact O-CG2 3.32Å; K240-V244 PolarHBondContact O-N 3.16Å; D241-V244 PolarHBondContact O-N 3.1Å; A242-V244 VanDerWaalsContact C-N 3.32Å; V244-Y246 VanDerWaalsContact C-N 3.32Å; V244-Y246 PolarHBondContact O-N 3.38Å; V244-A247 PolarHBondContact O-N 3.29Å; V244-V248 HydrophobicContact CG1-CG2 4.42Å; V244-V248 WeakPolarHBondContact O-CG2 3.34Å; V244-V248 PolarHBondContact O-N 3.39Å; V244-I262 HydrophobicContact CG1-CD1 4.44Å; V244-F277 HydrophobicContact CG1-CE2 4.47Å; V244-F277 HydrophobicContact CG1-CZ 4.08Å; V244-I330 HydrophobicContact CG1-CD1 4.45Å; V244-I330 HydrophobicContact CG1-CG2 4.17Å; V244-F360 HydrophobicContact CB-CE2 4.32Å; V244-F360 HydrophobicContact CB-CZ 4.24Å; V244-F360 HydrophobicContact CG1-CE2 4.32Å; V244-F360 HydrophobicContact CG2-CD1 3.79Å; V244-F360 HydrophobicContact CG2-CD2 3.72Å; V244-F360 HydrophobicContact CG2-CE1 3.89Å; V244-F360 HydrophobicContact CG2-CE2 3.81Å; V244-F360 HydrophobicContact CG2-CG 3.71Å; V244-F360 HydrophobicContact CG2-CZ 3.89Å |
| 245 | V | 97.9 | Very high | 94.8 | Very high | 3 Ų | 3 | 45.8 Ų | 45.8 | 2% | 0.018 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -56.6 | -47 | 176.6 | 167.5 | 0 | 0 | 0 | 0 | 110.8 | D241 A242 A247 V248 K249 M276 F277 L280 F282 V397 | D241-V245 WeakPolarHBondContact O-CG2 3.42Å; D241-V245 PolarHBondContact O-N 3.42Å; A242-V245 PolarHBondContact O-N 3.2Å; V245-A247 PolarHBondContact O-N 3.02Å; V245-V248 PolarHBondContact O-N 2.98Å; V245-K249 WeakPolarHBondContact O-CB 3.34Å; V245-K249 PolarHBondContact O-N 3.43Å; V245-M276 HydrophobicContact CG2-CE 3.64Å; V245-F277 HydrophobicContact CB-CZ 4.48Å; V245-F277 HydrophobicContact CG2-CE1 3.98Å; V245-F277 HydrophobicContact CG2-CE2 4.13Å; V245-F277 HydrophobicContact CG2-CZ 3.73Å; V245-L280 HydrophobicContact CG1-CD1 4.07Å; V245-L280 HydrophobicContact CG2-CD1 3.73Å; V245-F282 HydrophobicContact CG1-CE2 4.05Å; V245-F282 HydrophobicContact CG1-CZ 4.24Å; V245-V397 HydrophobicContact CB-CG2 4.03Å; V245-V397 HydrophobicContact CG1-CG2 4.03Å; V245-V397 HydrophobicContact CG2-CG1 4.27Å; V245-V397 HydrophobicContact CG2-CG2 3.97Å |
| 246 | Y | 97.3 | Very high | 94.3 | Very high | 18 Ų | 18 | 49.7 Ų | 49.7 | 7% | 0.071 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.8 | -41.7 | 179 | -179.6 | -113.2 | 0 | 0 | 0 | 112.5 | A242 Y243 V244 K249 L250 L385 K389 V390 Y393 | A242-Y246 VanDerWaalsContact O-CB 3.3Å; A242-Y246 WeakPolarHBondContact O-CB 3.47Å; A242-Y246 PolarHBondContact O-N 3.34Å; Y243-Y246 PolarHBondContact O-N 3.48Å; V244-Y246 VanDerWaalsContact C-N 3.32Å; V244-Y246 PolarHBondContact O-N 3.38Å; Y246-K249 PolarHBondContact O-N 2.88Å; Y246-L250 HydrophobicContact CD1-CD1 3.89Å; Y246-L250 HydrophobicContact CD1-CG 4.46Å; Y246-L250 HydrophobicContact CD2-CG 4.36Å; Y246-L250 HydrophobicContact CE1-CD1 3.33Å; Y246-L250 HydrophobicContact CE1-CG 4.05Å; Y246-L250 HydrophobicContact CE2-CD1 4.12Å; Y246-L250 HydrophobicContact CE2-CD2 4.16Å; Y246-L250 HydrophobicContact CE2-CG 3.92Å; Y246-L250 HydrophobicContact CG-CD1 4.49Å; Y246-L250 VanDerWaalsContact CZ-CD1 3.45Å; Y246-L250 WeakPolarHBondContact O-CB 3.44Å; Y246-L250 WeakPolarHBondContact O-CG 3.5Å; Y246-L250 PolarHBondContact O-N 3.26Å; Y246-L385 HydrophobicContact CD1-CB 4.37Å; Y246-L385 HydrophobicContact CD1-CD1 4.27Å; Y246-L385 HydrophobicContact CD1-CD2 4.49Å; Y246-L385 HydrophobicContact CE1-CB 4.36Å; Y246-L385 HydrophobicContact CE1-CD2 4.36Å; Y246-K389 HydrophobicContact CE1-CB 4.27Å; Y246-K389 HydrophobicContact CE2-CB 3.85Å; Y246-K389 WeakPolarHBondContact OH-CB 3.38Å; Y246-K389 WeakPolarHBondContact OH-CD 3.43Å; Y246-V390 HydrophobicContact CD1-CG2 3.46Å; Y246-V390 VanDerWaalsContact CD1-CG2 3.46Å; Y246-V390 HydrophobicContact CE1-CG2 4.1Å; Y246-V390 HydrophobicContact CG-CG2 3.88Å; Y246-Y393 AromaticContact CD2-CD2 3.95Å; Y246-Y393 HydrophobicContact CD2-CD2 3.95Å; Y246-Y393 AromaticContact CD2-CE2 3.61Å; Y246-Y393 HydrophobicContact CD2-CE2 3.61Å; Y246-Y393 HydrophobicContact CE2-CE2 4.09Å |
| 247 | A | 96.5 | Very high | 93.7 | Very high | 11 Ų | 11 | 54 Ų | 54 | 9% | 0.091 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.2 | -43.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y243 V244 V245 F251 F360 L385 | Y243-A247 WeakPolarHBondContact O-CB 3.41Å; Y243-A247 PolarHBondContact O-N 3.28Å; V244-A247 PolarHBondContact O-N 3.29Å; V245-A247 PolarHBondContact O-N 3.02Å; A247-F251 WeakPolarHBondContact O-CB 3.22Å; A247-F251 PolarHBondContact O-N 2.87Å; A247-F251 VanDerWaalsContact O-N 3.13Å; A247-F360 HydrophobicContact CB-CZ 3.73Å; A247-L385 HydrophobicContact CB-CD1 4.06Å |
| 248 | V | 96.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.5 | -49.6 | 175.3 | 175.4 | 0 | 0 | 0 | 0 | 109.8 | V244 V245 L250 F251 T252 V260 I262 F277 F282 V310 I330 | V244-V248 HydrophobicContact CG1-CG2 4.42Å; V244-V248 WeakPolarHBondContact O-CG2 3.34Å; V244-V248 PolarHBondContact O-N 3.39Å; V245-V248 PolarHBondContact O-N 2.98Å; V248-L250 PolarHBondContact O-N 2.98Å; V248-F251 PolarHBondContact O-N 3.4Å; V248-F251 VanDerWaalsContact O-N 3.13Å; V248-T252 HydrophobicContact CG1-CG2 4.12Å; V248-T252 WeakPolarHBondContact O-CG2 3.38Å; V248-T252 PolarHBondContact O-N 3.41Å; V248-T252 PolarHBondContact O-OG1 3.26Å; V248-V260 HydrophobicContact CG2-CG1 4.36Å; V248-I262 HydrophobicContact CG2-CD1 3.89Å; V248-F277 HydrophobicContact CB-CE1 3.97Å; V248-F277 HydrophobicContact CB-CZ 4.46Å; V248-F277 HydrophobicContact CG1-CE1 4.03Å; V248-F277 HydrophobicContact CG2-CE1 3.92Å; V248-F277 HydrophobicContact CG2-CZ 3.97Å; V248-F282 HydrophobicContact CB-CE1 4.46Å; V248-F282 HydrophobicContact CG1-CD1 4.02Å; V248-F282 HydrophobicContact CG1-CE1 3.78Å; V248-V310 HydrophobicContact CG1-CG2 3.86Å; V248-I330 HydrophobicContact CG2-CD1 3.41Å; V248-I330 VanDerWaalsContact CG2-CD1 3.41Å |
| 249 | K | 94.8 | Very high | 93.3 | Very high | 56 Ų | 56 | 42.5 Ų | 42.5 | 24% | 0.243 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -53.4 | -56.2 | 178.8 | -173.3 | 169.6 | 179.8 | 170.4 | 0 | 111.5 | V245 Y246 F251 T252 E253 F282 Y393 | V245-K249 WeakPolarHBondContact O-CB 3.34Å; V245-K249 PolarHBondContact O-N 3.43Å; Y246-K249 PolarHBondContact O-N 2.88Å; K249-F251 PolarHBondContact O-N 3.44Å; K249-T252 PolarHBondContact O-N 3.11Å; K249-T252 PolarHBondContact O-OG1 3.31Å; K249-E253 WeakPolarHBondContact CE-OE1 3.23Å; K249-E253 HydrophobicContact CG-CG 4.25Å; K249-E253 WeakPolarHBondContact CG-OE1 3.48Å; K249-E253 IonicContact NZ-OE1 2.78Å; K249-E253 WeakPolarHBondContact O-CB 3.29Å; K249-E253 WeakPolarHBondContact O-CG 3.28Å; K249-E253 PolarHBondContact O-N 2.95Å; K249-F282 HydrophobicContact CB-CE1 4.37Å; K249-F282 HydrophobicContact CB-CZ 4.01Å; K249-Y393 HydrophobicContact CD-CE1 3.95Å; K249-Y393 WeakPolarHBondContact CE-OH 3.46Å; K249-Y393 PolarHBondContact NZ-OH 2.61Å |
| 250 | L | 93 | Very high | 93.2 | Very high | 45 Ų | 45 | 41 Ų | 41 | 24% | 0.236 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -53.4 | -40 | 178.5 | -80.9 | 178.4 | 0 | 0 | 0 | 112.7 | Y246 V248 K254 L385 | Y246-L250 HydrophobicContact CD1-CD1 3.89Å; Y246-L250 HydrophobicContact CD1-CG 4.46Å; Y246-L250 HydrophobicContact CD2-CG 4.36Å; Y246-L250 HydrophobicContact CE1-CD1 3.33Å; Y246-L250 HydrophobicContact CE1-CG 4.05Å; Y246-L250 HydrophobicContact CE2-CD1 4.12Å; Y246-L250 HydrophobicContact CE2-CD2 4.16Å; Y246-L250 HydrophobicContact CE2-CG 3.92Å; Y246-L250 HydrophobicContact CG-CD1 4.49Å; Y246-L250 VanDerWaalsContact CZ-CD1 3.45Å; Y246-L250 WeakPolarHBondContact O-CB 3.44Å; Y246-L250 WeakPolarHBondContact O-CG 3.5Å; Y246-L250 PolarHBondContact O-N 3.26Å; V248-L250 PolarHBondContact O-N 2.98Å; L250-K254 WeakPolarHBondContact O-CB 3.44Å; L250-K254 VanDerWaalsContact O-CG 3.29Å; L250-K254 WeakPolarHBondContact O-CG 3.48Å; L250-K254 PolarHBondContact O-N 3.28Å; L250-L385 HydrophobicContact CD1-CD2 4.27Å |
| 251 | F | 91.9 | Very high | 93.1 | Very high | 27 Ų | 27 | 40 Ų | 40 | 12% | 0.118 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -75.1 | -42.6 | -177.5 | -166.6 | -107.3 | 0 | 0 | 0 | 112 | A247 V248 K249 N255 T258 V260 D327 L328 K356 | A247-F251 WeakPolarHBondContact O-CB 3.22Å; A247-F251 PolarHBondContact O-N 2.87Å; A247-F251 VanDerWaalsContact O-N 3.13Å; V248-F251 PolarHBondContact O-N 3.4Å; V248-F251 VanDerWaalsContact O-N 3.13Å; K249-F251 PolarHBondContact O-N 3.44Å; F251-N255 PolarHBondContact O-N 3.13Å; F251-N255 PolarHBondContact O-ND2 3Å; F251-T258 HydrophobicContact CD1-CG2 3.85Å; F251-T258 HydrophobicContact CE1-CG2 4.06Å; F251-T258 WeakPolarHBondContact CE1-OG1 3.24Å; F251-V260 HydrophobicContact CD1-CG2 4Å; F251-V260 HydrophobicContact CE1-CG2 4.49Å; F251-D327 HydrophobicContact CE1-CB 3.77Å; F251-D327 HydrophobicContact CZ-CB 3.73Å; F251-L328 HydrophobicContact CB-CD2 3.96Å; F251-L328 HydrophobicContact CD1-CB 3.68Å; F251-L328 HydrophobicContact CD1-CD2 3.64Å; F251-L328 HydrophobicContact CD1-CG 4.31Å; F251-L328 HydrophobicContact CD2-CD2 4.26Å; F251-L328 HydrophobicContact CE1-CB 3.27Å; F251-L328 HydrophobicContact CE1-CD2 4.13Å; F251-L328 HydrophobicContact CE1-CG 4.31Å; F251-L328 HydrophobicContact CE2-CB 4.42Å; F251-L328 HydrophobicContact CG-CB 4.36Å; F251-L328 HydrophobicContact CG-CD2 3.69Å; F251-L328 HydrophobicContact CZ-CB 3.72Å; F251-K356 HydrophobicContact CE2-CD 3.95Å |
| 252 | T | 91.3 | Very high | 93.1 | Very high | 28 Ų | 28 | 38.9 Ų | 38.9 | 17% | 0.172 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -70.2 | -33.7 | 178.6 | 54.3 | 0 | 0 | 0 | 0 | 113.5 | V248 K249 N255 P256 T258 V260 | V248-T252 HydrophobicContact CG1-CG2 4.12Å; V248-T252 WeakPolarHBondContact O-CG2 3.38Å; V248-T252 PolarHBondContact O-N 3.41Å; V248-T252 PolarHBondContact O-OG1 3.26Å; K249-T252 PolarHBondContact O-N 3.11Å; K249-T252 PolarHBondContact O-OG1 3.31Å; T252-N255 CarbonylContact O-C 3.56Å; T252-N255 VanDerWaalsContact O-C 3.25Å; T252-N255 PolarHBondContact O-N 2.9Å; T252-P256 WeakPolarHBondContact O-CA 3.4Å; T252-T258 HydrophobicContact CG2-CG2 3.81Å; T252-V260 HydrophobicContact CG2-CG2 4.24Å |
| 253 | E | 91 | Very high | 93 | Very high | 120 Ų | 120 | 39 Ų | 39 | 56% | 0.561 | 19% | 0.193 | S | C | * | . | H | α-helix | trans | -69.8 | -40.7 | 176 | -74.1 | 174.8 | 166.2 | 0 | 0 | 111.6 | K249 N255 | K249-E253 WeakPolarHBondContact CE-OE1 3.23Å; K249-E253 HydrophobicContact CG-CG 4.25Å; K249-E253 WeakPolarHBondContact CG-OE1 3.48Å; K249-E253 IonicContact NZ-OE1 2.78Å; K249-E253 WeakPolarHBondContact O-CB 3.29Å; K249-E253 WeakPolarHBondContact O-CG 3.28Å; K249-E253 PolarHBondContact O-N 2.95Å; E253-N255 VanDerWaalsContact C-N 3.32Å |
| 254 | K | 89.9 | Confident | 92.9 | Very high | 161 Ų | 161 | 38.2 Ų | 38.2 | 70% | 0.7 | 19% | 0.191 | S | C | * | . | H | α-helix | trans | -71.7 | -27.3 | 176.5 | -71.9 | 179.1 | -179.3 | -175.8 | 0 | 112.9 | L250 | L250-K254 WeakPolarHBondContact O-CB 3.44Å; L250-K254 VanDerWaalsContact O-CG 3.29Å; L250-K254 WeakPolarHBondContact O-CG 3.48Å; L250-K254 PolarHBondContact O-N 3.28Å |
| 255 | N | 88.1 | Confident | 92.5 | Very high | 74 Ų | 74 | 45 Ų | 45 | 40% | 0.396 | 22% | 0.222 | S | C | . | . | trans | -135.3 | 81.8 | -175.3 | -54.3 | -81.9 | 0 | 0 | 0 | 110.2 | F251 T252 E253 H257 T258 | F251-N255 PolarHBondContact O-N 3.13Å; F251-N255 PolarHBondContact O-ND2 3Å; T252-N255 CarbonylContact O-C 3.56Å; T252-N255 VanDerWaalsContact O-C 3.25Å; T252-N255 PolarHBondContact O-N 2.9Å; E253-N255 VanDerWaalsContact C-N 3.32Å; N255-H257 PolarHBondContact O-N 2.89Å; N255-T258 HydrophobicContact CB-CG2 4.3Å; N255-T258 WeakPolarHBondContact O-CB 3.23Å; N255-T258 WeakPolarHBondContact O-CG2 3.42Å; N255-T258 PolarHBondContact O-N 3.06Å | ||
| 256 | P | 83.8 | Confident | 92.3 | Very high | 86 Ų | 86 | 47 Ų | 47 | 56% | 0.558 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -25.8 | -173.4 | -27.3 | 35.6 | 0 | 0 | 0 | 115.2 | T252 T258 K309 | T252-P256 WeakPolarHBondContact O-CA 3.4Å; P256-T258 VanDerWaalsContact C-N 3.29Å; P256-K309 WeakPolarHBondContact O-CE 3.4Å; P256-K309 PolarHBondContact O-NZ 3.47Å |
| 257 | H | 83.9 | Confident | 92 | Very high | 154 Ų | 154 | 47.1 Ų | 47.1 | 71% | 0.713 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | 3.9 | 178.2 | -64.3 | -68.3 | 0 | 0 | 0 | 113.8 | N255 N306 | N255-H257 PolarHBondContact O-N 2.89Å; H257-N306 PolarHBondContact O-ND2 3.14Å |
| 258 | T | 86.8 | Confident | 91.9 | Very high | 3 Ų | 3 | 49.8 Ų | 49.8 | 2% | 0.018 | 25% | 0.247 | C | C | . | . | trans | -70.5 | 154.6 | -173.4 | -161.9 | 0 | 0 | 0 | 0 | 114.1 | F251 T252 N255 P256 V260 K309 D327 | F251-T258 HydrophobicContact CD1-CG2 3.85Å; F251-T258 HydrophobicContact CE1-CG2 4.06Å; F251-T258 WeakPolarHBondContact CE1-OG1 3.24Å; T252-T258 HydrophobicContact CG2-CG2 3.81Å; N255-T258 HydrophobicContact CB-CG2 4.3Å; N255-T258 WeakPolarHBondContact O-CB 3.23Å; N255-T258 WeakPolarHBondContact O-CG2 3.42Å; N255-T258 PolarHBondContact O-N 3.06Å; P256-T258 VanDerWaalsContact C-N 3.29Å; T258-V260 HydrophobicContact CG2-CG2 4.24Å; T258-K309 VanDerWaalsContact O-CD 3.22Å; T258-K309 WeakPolarHBondContact O-CD 3.25Å; T258-D327 WeakPolarHBondContact CA-OD2 3.24Å; T258-D327 WeakPolarHBondContact CB-OD2 3.33Å; T258-D327 VanDerWaalsContact OG1-CB 3.23Å; T258-D327 WeakPolarHBondContact OG1-CB 3.47Å; T258-D327 VanDerWaalsContact OG1-CG 3.26Å; T258-D327 PolarHBondContact OG1-OD2 3.02Å | ||
| 259 | S | 91.1 | Very high | 91.9 | Very high | 12 Ų | 12 | 51.4 Ų | 51.4 | 8% | 0.084 | 26% | 0.255 | C | S | . | . | trans | -120.7 | 132.2 | 169.4 | 57.4 | 0 | 0 | 0 | 0 | 110.9 | F325 V326 D327 L328 | S259-F325 PolarHBondContact OG-O 3.23Å; S259-V326 WeakPolarHBondContact OG-CA 3.48Å; S259-D327 PolarHBondContact N-OD2 2.66Å; S259-D327 PolarHBondContact O-N 3.21Å; S259-D327 VanDerWaalsContact O-N 3.14Å; S259-L328 PolarHBondContact O-N 2.93Å | ||
| 260 | V | 94.6 | Very high | 92 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 128.4 | -175.6 | -175.1 | 0 | 0 | 0 | 0 | 109.9 | V248 F251 T252 T258 I262 F303 K309 V310 L311 L328 I330 | V248-V260 HydrophobicContact CG2-CG1 4.36Å; F251-V260 HydrophobicContact CD1-CG2 4Å; F251-V260 HydrophobicContact CE1-CG2 4.49Å; T252-V260 HydrophobicContact CG2-CG2 4.24Å; T258-V260 HydrophobicContact CG2-CG2 4.24Å; V260-I262 HydrophobicContact CG1-CG1 4.08Å; V260-F303 WeakPolarHBondContact O-CE2 3.24Å; V260-K309 PolarHBondContact N-O 2.97Å; V260-V310 HydrophobicContact CB-CG2 4.35Å; V260-V310 CarbonylContact O-C 3.53Å; V260-V310 WeakPolarHBondContact O-CA 3.48Å; V260-L311 PolarHBondContact O-N 3.49Å; V260-L328 WeakPolarHBondContact CA-O 3.47Å; V260-L328 HydrophobicContact CG1-CB 4.43Å; V260-L328 HydrophobicContact CG1-CD2 4.15Å; V260-L328 HydrophobicContact CG1-CG 4.24Å; V260-L328 HydrophobicContact CG2-CB 4.37Å; V260-L328 HydrophobicContact CG2-CD2 4.44Å; V260-I330 HydrophobicContact CG1-CD1 3.95Å; V260-I330 HydrophobicContact CG1-CG1 4.31Å |
| 261 | L | 94.7 | Very high | 92.1 | Very high | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 122.4 | 175.4 | -176 | 67.6 | 0 | 0 | 0 | 110 | F263 L311 L323 V326 L328 V329 I330 R347 | L261-F263 HydrophobicContact CD2-CE1 4.5Å; L261-F263 HydrophobicContact CD2-CE2 3.51Å; L261-F263 HydrophobicContact CD2-CZ 3.5Å; L261-F263 HydrophobicContact CG-CD2 4.44Å; L261-F263 HydrophobicContact CG-CE2 3.86Å; L261-F263 HydrophobicContact CG-CZ 4.13Å; L261-L311 CarbonylContact C-O 3.59Å; L261-L311 WeakPolarHBondContact CA-O 3.17Å; L261-L311 HydrophobicContact CD1-CB 3.98Å; L261-L311 HydrophobicContact CD1-CD2 3.98Å; L261-L311 HydrophobicContact CD1-CG 4.09Å; L261-L323 HydrophobicContact CD1-CD1 4.21Å; L261-L323 HydrophobicContact CD1-CD2 3.96Å; L261-L323 HydrophobicContact CD2-CD1 3.39Å; L261-L323 HydrophobicContact CD2-CD2 4.39Å; L261-L323 HydrophobicContact CD2-CG 4.39Å; L261-L323 HydrophobicContact CG-CD1 4.46Å; L261-V326 HydrophobicContact CB-CB 4.47Å; L261-V326 HydrophobicContact CB-CG1 4.21Å; L261-V326 HydrophobicContact CB-CG2 4.12Å; L261-L328 PolarHBondContact N-O 3.12Å; L261-V329 CarbonylContact O-C 3.52Å; L261-V329 WeakPolarHBondContact O-CA 3.21Å; L261-I330 PolarHBondContact O-N 3.12Å; L261-R347 HydrophobicContact CD2-CB 4.02Å; L261-R347 HydrophobicContact CD2-CG 4.08Å |
| 262 | I | 97 | Very high | 92.4 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 122.2 | -178.5 | -48.9 | -174 | 0 | 0 | 0 | 109.5 | V244 V248 V260 F277 V310 L311 I312 C313 I330 H332 | V244-I262 HydrophobicContact CG1-CD1 4.44Å; V248-I262 HydrophobicContact CG2-CD1 3.89Å; V260-I262 HydrophobicContact CG1-CG1 4.08Å; I262-F277 HydrophobicContact CD1-CE2 4.13Å; I262-F277 HydrophobicContact CD1-CZ 3.95Å; I262-V310 HydrophobicContact CD1-CG1 3.56Å; I262-V310 HydrophobicContact CG1-CG1 3.91Å; I262-L311 PolarHBondContact N-O 3.46Å; I262-I312 HydrophobicContact CB-CB 4.45Å; I262-I312 HydrophobicContact CB-CG1 4.11Å; I262-I312 HydrophobicContact CB-CG2 4.27Å; I262-I312 HydrophobicContact CD1-CD1 4.31Å; I262-I312 HydrophobicContact CD1-CG1 4.25Å; I262-I312 HydrophobicContact CG1-CG1 4.43Å; I262-I312 HydrophobicContact CG2-CG2 4.41Å; I262-I312 CarbonylContact O-C 3.57Å; I262-I312 VanDerWaalsContact O-CA 3.31Å; I262-I312 WeakPolarHBondContact O-CA 3.35Å; I262-C313 PolarHBondContact O-N 2.99Å; I262-I330 CarbonylContact C-O 3.58Å; I262-I330 WeakPolarHBondContact CA-O 3.1Å; I262-I330 HydrophobicContact CB-CB 4.46Å; I262-I330 HydrophobicContact CD1-CD1 4.47Å; I262-I330 HydrophobicContact CG1-CB 4.16Å; I262-I330 HydrophobicContact CG1-CD1 4.4Å; I262-I330 HydrophobicContact CG2-CB 4.28Å; I262-I330 HydrophobicContact CG2-CG2 4.06Å; I262-H332 HydrophobicContact CG2-CB 3.88Å |
| 263 | F | 96.9 | Very high | 92.7 | Very high | 4 Ų | 4 | 45.7 Ų | 45.7 | 2% | 0.018 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 126.2 | 174.1 | -67.3 | -90.3 | 0 | 0 | 0 | 111.2 | L261 C313 S318 V329 I330 H332 R344 R347 | L261-F263 HydrophobicContact CD2-CE1 4.5Å; L261-F263 HydrophobicContact CD2-CE2 3.51Å; L261-F263 HydrophobicContact CD2-CZ 3.5Å; L261-F263 HydrophobicContact CG-CD2 4.44Å; L261-F263 HydrophobicContact CG-CE2 3.86Å; L261-F263 HydrophobicContact CG-CZ 4.13Å; F263-C313 CarbonylContact C-O 3.52Å; F263-C313 WeakPolarHBondContact CA-O 3.05Å; F263-S318 WeakPolarHBondContact CE1-OG 3.47Å; F263-V329 HydrophobicContact CD2-CG1 3.84Å; F263-V329 HydrophobicContact CE2-CG1 3.65Å; F263-I330 PolarHBondContact N-O 3.04Å; F263-H332 VanDerWaalsContact O-CB 3.3Å; F263-H332 WeakPolarHBondContact O-CB 3.49Å; F263-H332 PolarHBondContact O-N 3.16Å; F263-R344 HydrophobicContact CD1-CG 3.69Å; F263-R344 HydrophobicContact CD2-CB 3.85Å; F263-R344 HydrophobicContact CD2-CG 3.86Å; F263-R344 HydrophobicContact CE1-CB 4.24Å; F263-R344 HydrophobicContact CE1-CG 3.65Å; F263-R344 HydrophobicContact CE2-CB 3.59Å; F263-R344 HydrophobicContact CE2-CG 3.85Å; F263-R344 HydrophobicContact CG-CB 4.31Å; F263-R344 HydrophobicContact CG-CG 3.78Å; F263-R344 HydrophobicContact CZ-CB 3.81Å; F263-R344 HydrophobicContact CZ-CG 3.75Å; F263-R347 HydrophobicContact CZ-CG 4.31Å |
| 264 | S | 95.5 | Very high | 93 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 159.7 | 177 | 63 | 0 | 0 | 0 | 0 | 111.1 | C270 C313 | S264-C270 VanDerWaalsContact OG-CA 3.3Å; S264-C270 WeakPolarHBondContact OG-CA 3.48Å; S264-C270 WeakPolarHBondContact OG-CB 3.29Å; S264-C313 PolarHBondContact N-O 2.81Å; S264-C313 PolarHBondContact OG-O 2.79Å |
| 265 | H | 91.1 | Very high | 93.4 | Very high | 142 Ų | 142 | 34.7 Ų | 34.7 | 66% | 0.657 | 18% | 0.18 | S | C | * | . | S | Bend | trans | -79.5 | -38.6 | -173.3 | 177.9 | 67.2 | 0 | 0 | 0 | 113.5 | E269 N333 | H265-E269 WeakPolarHBondContact CB-OE2 3.45Å; H265-E269 PolarHBondContact N-OE2 2.99Å; H265-N333 HydrophobicContact CB-CB 4.15Å; H265-N333 PolarHBondContact N-OD1 2.97Å |
| 266 | S | 91.8 | Very high | 93.9 | Very high | 44 Ų | 44 | 31.2 Ų | 31.2 | 31% | 0.308 | 16% | 0.161 | S | C | . | . | S | Bend | trans | -129.4 | 156.9 | -172.1 | 74.2 | 0 | 0 | 0 | 0 | 112.9 | Y268 E269 C270 | S266-Y268 PolarHBondContact O-N 2.94Å; S266-E269 PolarHBondContact O-N 3.16Å; S266-E269 VanDerWaalsContact OG-CB 3.31Å; S266-E269 WeakPolarHBondContact OG-CB 3.47Å; S266-E269 PolarHBondContact OG-N 3.4Å; S266-E269 VanDerWaalsContact OG-N 3.09Å; S266-C270 VanDerWaalsContact O-CB 3.32Å; S266-C270 WeakPolarHBondContact O-CB 3.33Å; S266-C270 PolarHBondContact O-N 2.71Å |
| 267 | C | 92.4 | Very high | 94.6 | Very high | 21 Ų | 21 | 27.1 Ų | 27.1 | 14% | 0.142 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -59.2 | -36.3 | 176.2 | -57 | 0 | 0 | 0 | 0 | 112.4 | Q271 H288 S289 M290 F413 | C267-Q271 WeakPolarHBondContact O-CB 3.39Å; C267-Q271 PolarHBondContact O-N 2.88Å; C267-H288 HydrophobicContact CB-CB 4.04Å; C267-S289 PolarHBondContact SG-OG 3.31Å; C267-M290 HydrophobicContact CB-CG 4Å; C267-F413 HydrophobicContact CB-CE1 4.33Å; C267-F413 HydrophobicContact CB-CZ 4.41Å |
| 268 | Y | 94 | Very high | 95.2 | Very high | 67 Ų | 67 | 24.5 Ų | 24.5 | 26% | 0.263 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -68.4 | -44.4 | 177.7 | -174.7 | -84.6 | 0 | 0 | 0 | 111.3 | S266 Q271 S272 R405 L408 D409 F413 | S266-Y268 PolarHBondContact O-N 2.94Å; Y268-Q271 PolarHBondContact O-N 3.49Å; Y268-S272 WeakPolarHBondContact O-CB 3.2Å; Y268-S272 PolarHBondContact O-N 2.89Å; Y268-R405 HydrophobicContact CE1-CG 3.99Å; Y268-R405 WeakPolarHBondContact OH-CB 3.44Å; Y268-R405 PolarHBondContact OH-O 2.87Å; Y268-L408 HydrophobicContact CD2-CD1 4.38Å; Y268-L408 HydrophobicContact CE2-CB 3.89Å; Y268-L408 HydrophobicContact CE2-CD1 4.21Å; Y268-D409 WeakPolarHBondContact CE2-OD1 3.43Å; Y268-D409 PolarHBondContact OH-OD1 3.04Å; Y268-F413 AromaticContact CD2-CD1 3.87Å; Y268-F413 HydrophobicContact CD2-CD1 3.87Å; Y268-F413 HydrophobicContact CD2-CE1 4.45Å |
| 269 | E | 96.1 | Very high | 95.7 | Very high | 35 Ų | 35 | 29.1 Ų | 29.1 | 16% | 0.164 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64.4 | -43.5 | 176.1 | -173 | -178.8 | -122.9 | 0 | 0 | 111.3 | H265 S266 Q271 S272 L273 H332 N333 | H265-E269 WeakPolarHBondContact CB-OE2 3.45Å; H265-E269 PolarHBondContact N-OE2 2.99Å; S266-E269 PolarHBondContact O-N 3.16Å; S266-E269 VanDerWaalsContact OG-CB 3.31Å; S266-E269 WeakPolarHBondContact OG-CB 3.47Å; S266-E269 PolarHBondContact OG-N 3.4Å; S266-E269 VanDerWaalsContact OG-N 3.09Å; E269-Q271 PolarHBondContact O-N 2.93Å; E269-S272 PolarHBondContact O-N 3.06Å; E269-L273 HydrophobicContact CG-CD1 3.98Å; E269-L273 HydrophobicContact CG-CG 4.38Å; E269-L273 WeakPolarHBondContact O-CB 3.18Å; E269-L273 VanDerWaalsContact O-CG 3.25Å; E269-L273 WeakPolarHBondContact O-CG 3.32Å; E269-L273 PolarHBondContact O-N 3.45Å; E269-H332 IonicContact OE1-CE1 3.51Å; E269-H332 PolarHBondContact OE1-CE1 3.49Å; E269-H332 VanDerWaalsContact OE1-CE1 3.27Å; E269-H332 IonicContact OE1-ND1 3.7Å; E269-H332 IonicContact OE2-ND1 3.84Å; E269-N333 PolarHBondContact OE1-ND2 3.41Å; E269-N333 VanDerWaalsContact OE1-ND2 3.08Å; E269-N333 PolarHBondContact OE2-ND2 2.89Å; E269-N333 PolarHBondContact OE2-OD1 3.37Å |
| 270 | C | 96.4 | Very high | 96 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -54.4 | -52 | 174.7 | -169.1 | 0 | 0 | 0 | 0 | 111.5 | S264 S266 S274 H288 I312 T314 | S264-C270 VanDerWaalsContact OG-CA 3.3Å; S264-C270 WeakPolarHBondContact OG-CA 3.48Å; S264-C270 WeakPolarHBondContact OG-CB 3.29Å; S266-C270 VanDerWaalsContact O-CB 3.32Å; S266-C270 WeakPolarHBondContact O-CB 3.33Å; S266-C270 PolarHBondContact O-N 2.71Å; C270-S274 PolarHBondContact O-N 2.62Å; C270-H288 HydrophobicContact CB-CB 4.31Å; C270-I312 VanDerWaalsContact SG-C 3.59Å; C270-I312 PolarHBondContact SG-O 3Å; C270-I312 VanDerWaalsContact SG-O 3.35Å; C270-T314 HydrophobicContact CB-CG2 4.04Å |
| 271 | Q | 96.5 | Very high | 96 | Very high | 35 Ų | 35 | 33 Ų | 33 | 16% | 0.164 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -69 | -41.3 | -178.4 | -169 | 64.1 | 6.7 | 0 | 0 | 111.8 | C267 Y268 E269 L273 S274 L275 H288 L408 F413 | C267-Q271 WeakPolarHBondContact O-CB 3.39Å; C267-Q271 PolarHBondContact O-N 2.88Å; Y268-Q271 PolarHBondContact O-N 3.49Å; E269-Q271 PolarHBondContact O-N 2.93Å; Q271-L273 PolarHBondContact O-N 3.49Å; Q271-S274 PolarHBondContact O-N 3.32Å; Q271-L275 WeakPolarHBondContact O-CG 3.46Å; Q271-L275 PolarHBondContact O-N 2.79Å; Q271-H288 PolarHBondContact OE1-NE2 3.15Å; Q271-L408 HydrophobicContact CB-CD1 4.12Å; Q271-L408 HydrophobicContact CB-CD2 4.25Å; Q271-L408 HydrophobicContact CG-CD1 4.12Å; Q271-L408 HydrophobicContact CG-CD2 3.46Å; Q271-L408 VanDerWaalsContact CG-CD2 3.46Å; Q271-L408 HydrophobicContact CG-CG 4.41Å; Q271-F413 HydrophobicContact CB-CE2 4.06Å; Q271-F413 HydrophobicContact CB-CZ 3.92Å; Q271-F413 HydrophobicContact CG-CD2 4.46Å; Q271-F413 HydrophobicContact CG-CE2 3.88Å; Q271-F413 HydrophobicContact CG-CZ 4.27Å |
| 272 | S | 97.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64.2 | -40.7 | 178.5 | 176.7 | 0 | 0 | 0 | 0 | 111.7 | Y268 E269 M276 K401 R405 | Y268-S272 WeakPolarHBondContact O-CB 3.2Å; Y268-S272 PolarHBondContact O-N 2.89Å; E269-S272 PolarHBondContact O-N 3.06Å; S272-M276 WeakPolarHBondContact O-CB 3.45Å; S272-M276 PolarHBondContact O-N 3.15Å; S272-K401 WeakPolarHBondContact OG-CD 3.41Å; S272-K401 WeakPolarHBondContact OG-CE 3.45Å; S272-R405 WeakPolarHBondContact OG-CG 3.41Å |
| 273 | L | 98.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.5 | -44.5 | 171.7 | -73.7 | 168.7 | 0 | 0 | 0 | 111.1 | E269 Q271 L275 M276 F277 I312 | E269-L273 HydrophobicContact CG-CD1 3.98Å; E269-L273 HydrophobicContact CG-CG 4.38Å; E269-L273 WeakPolarHBondContact O-CB 3.18Å; E269-L273 VanDerWaalsContact O-CG 3.25Å; E269-L273 WeakPolarHBondContact O-CG 3.32Å; E269-L273 PolarHBondContact O-N 3.45Å; Q271-L273 PolarHBondContact O-N 3.49Å; L273-L275 VanDerWaalsContact C-N 3.34Å; L273-L275 PolarHBondContact O-N 3.29Å; L273-M276 HydrophobicContact CD2-CE 3.82Å; L273-M276 PolarHBondContact O-N 2.84Å; L273-F277 WeakPolarHBondContact O-CB 3.27Å; L273-F277 WeakPolarHBondContact O-CD2 3.48Å; L273-F277 PolarHBondContact O-N 2.79Å; L273-I312 HydrophobicContact CB-CD1 3.69Å; L273-I312 HydrophobicContact CB-CG2 4.33Å; L273-I312 HydrophobicContact CD1-CG2 4.36Å |
| 274 | S | 97.4 | Very high | 95.9 | Very high | 13 Ų | 13 | 41.4 Ų | 41.4 | 9% | 0.091 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.2 | -42.5 | -179.8 | -169.9 | 0 | 0 | 0 | 0 | 112.3 | C270 Q271 N278 V284 | C270-S274 PolarHBondContact O-N 2.62Å; Q271-S274 PolarHBondContact O-N 3.32Å; S274-N278 WeakPolarHBondContact O-CB 3.45Å; S274-N278 PolarHBondContact O-N 3.16Å; S274-V284 VanDerWaalsContact O-CG1 3.24Å; S274-V284 WeakPolarHBondContact O-CG1 3.27Å |
| 275 | L | 97.8 | Very high | 95.8 | Very high | 38 Ų | 38 | 41.7 Ų | 41.7 | 20% | 0.199 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.7 | -44.8 | 175.7 | -70.9 | 175 | 0 | 0 | 0 | 111.5 | Q271 L273 N278 D279 A404 K407 L408 | Q271-L275 WeakPolarHBondContact O-CG 3.46Å; Q271-L275 PolarHBondContact O-N 2.79Å; L273-L275 VanDerWaalsContact C-N 3.34Å; L273-L275 PolarHBondContact O-N 3.29Å; L275-N278 PolarHBondContact O-N 2.77Å; L275-D279 WeakPolarHBondContact O-CB 3.46Å; L275-D279 PolarHBondContact O-N 3.1Å; L275-A404 HydrophobicContact CB-CB 3.63Å; L275-A404 HydrophobicContact CD1-CB 4.4Å; L275-K407 HydrophobicContact CD1-CD 4.42Å; L275-L408 HydrophobicContact CD1-CD1 4.29Å; L275-L408 HydrophobicContact CD1-CD2 3.88Å; L275-L408 HydrophobicContact CD1-CG 3.85Å |
| 276 | M | 98.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.4 | -48.2 | 176.7 | 179.3 | -162.2 | 79.4 | 0 | 0 | 111.9 | D241 V245 S272 L273 N278 D279 L280 V397 A400 K401 A404 | D241-M276 HydrophobicContact CB-CE 4.32Å; D241-M276 HydrophobicContact CB-SD 4.12Å; V245-M276 HydrophobicContact CG2-CE 3.64Å; S272-M276 WeakPolarHBondContact O-CB 3.45Å; S272-M276 PolarHBondContact O-N 3.15Å; L273-M276 HydrophobicContact CD2-CE 3.82Å; L273-M276 PolarHBondContact O-N 2.84Å; M276-N278 VanDerWaalsContact C-N 3.31Å; M276-N278 PolarHBondContact O-N 3.01Å; M276-D279 PolarHBondContact O-N 3.16Å; M276-L280 HydrophobicContact CE-CD1 4.47Å; M276-L280 HydrophobicContact CG-CD1 3.96Å; M276-L280 WeakPolarHBondContact O-CD1 3.2Å; M276-L280 WeakPolarHBondContact O-CG 3.3Å; M276-L280 PolarHBondContact O-N 3.32Å; M276-V397 HydrophobicContact CE-CG1 4.31Å; M276-V397 HydrophobicContact SD-CG1 3.68Å; M276-A400 HydrophobicContact CG-CB 3.9Å; M276-K401 HydrophobicContact CB-CD 4.39Å; M276-K401 HydrophobicContact CG-CB 4.24Å; M276-K401 HydrophobicContact CG-CD 4.5Å; M276-K401 HydrophobicContact SD-CB 3.83Å; M276-K401 HydrophobicContact SD-CD 3.79Å; M276-K401 HydrophobicContact SD-CG 4.3Å; M276-A404 HydrophobicContact CB-CB 4.44Å |
| 277 | F | 98.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.7 | -39.5 | 177.3 | -92.8 | -86.4 | 0 | 0 | 0 | 111.9 | V244 V245 V248 I262 L273 L280 G281 F282 V284 I312 | V244-F277 HydrophobicContact CG1-CE2 4.47Å; V244-F277 HydrophobicContact CG1-CZ 4.08Å; V245-F277 HydrophobicContact CB-CZ 4.48Å; V245-F277 HydrophobicContact CG2-CE1 3.98Å; V245-F277 HydrophobicContact CG2-CE2 4.13Å; V245-F277 HydrophobicContact CG2-CZ 3.73Å; V248-F277 HydrophobicContact CB-CE1 3.97Å; V248-F277 HydrophobicContact CB-CZ 4.46Å; V248-F277 HydrophobicContact CG1-CE1 4.03Å; V248-F277 HydrophobicContact CG2-CE1 3.92Å; V248-F277 HydrophobicContact CG2-CZ 3.97Å; I262-F277 HydrophobicContact CD1-CE2 4.13Å; I262-F277 HydrophobicContact CD1-CZ 3.95Å; L273-F277 WeakPolarHBondContact O-CB 3.27Å; L273-F277 WeakPolarHBondContact O-CD2 3.48Å; L273-F277 PolarHBondContact O-N 2.79Å; F277-L280 PolarHBondContact O-N 3.42Å; F277-G281 PolarHBondContact O-N 3.16Å; F277-F282 HydrophobicContact CB-CB 4.27Å; F277-F282 HydrophobicContact CD1-CB 4.01Å; F277-F282 HydrophobicContact CD1-CD1 4.24Å; F277-F282 AromaticContact CD1-CD2 3.7Å; F277-F282 HydrophobicContact CD1-CD2 3.7Å; F277-F282 HydrophobicContact CD1-CE2 4.2Å; F277-F282 AromaticContact CD1-CG 3.72Å; F277-F282 HydrophobicContact CD1-CG 3.72Å; F277-F282 HydrophobicContact CE1-CD2 4.38Å; F277-F282 HydrophobicContact CE1-CE2 4.46Å; F277-F282 HydrophobicContact CE1-CG 4.43Å; F277-F282 WeakPolarHBondContact O-CB 3.35Å; F277-F282 WeakPolarHBondContact O-CD2 3.38Å; F277-F282 PolarHBondContact O-N 3.43Å; F277-V284 HydrophobicContact CB-CB 4.12Å; F277-V284 HydrophobicContact CB-CG1 3.79Å; F277-V284 HydrophobicContact CB-CG2 4.2Å; F277-I312 HydrophobicContact CD2-CD1 3.72Å; F277-I312 HydrophobicContact CE2-CD1 4.22Å; F277-I312 HydrophobicContact CG-CD1 4.34Å |
| 278 | N | 97.1 | Very high | 95.8 | Very high | 100 Ų | 100 | 32.2 Ų | 32.2 | 54% | 0.535 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -66.2 | -40.7 | 178 | -173.7 | 77.7 | 0 | 0 | 0 | 112 | S274 L275 M276 L280 G281 V284 | S274-N278 WeakPolarHBondContact O-CB 3.45Å; S274-N278 PolarHBondContact O-N 3.16Å; L275-N278 PolarHBondContact O-N 2.77Å; M276-N278 VanDerWaalsContact C-N 3.31Å; M276-N278 PolarHBondContact O-N 3.01Å; N278-L280 VanDerWaalsContact C-N 3.32Å; N278-G281 PolarHBondContact O-N 2.87Å; N278-V284 HydrophobicContact CB-CG1 3.8Å |
| 279 | D | 97.5 | Very high | 95.2 | Very high | 99 Ų | 99 | 31.3 Ų | 31.3 | 53% | 0.529 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -62.9 | -39.2 | 175.9 | -170.7 | 64 | 0 | 0 | 0 | 112 | L275 M276 G281 A400 | L275-D279 WeakPolarHBondContact O-CB 3.46Å; L275-D279 PolarHBondContact O-N 3.1Å; M276-D279 PolarHBondContact O-N 3.16Å; D279-G281 PolarHBondContact O-N 2.97Å; D279-G281 VanDerWaalsContact O-N 3.08Å; D279-A400 HydrophobicContact CB-CB 4.35Å; D279-A400 WeakPolarHBondContact OD2-CB 3.32Å |
| 280 | L | 97.1 | Very high | 94.7 | Very high | 28 Ų | 28 | 32.5 Ų | 32.5 | 15% | 0.147 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | 8.3 | 172.5 | -61.8 | 167.5 | 0 | 0 | 0 | 113.8 | V245 M276 F277 N278 F282 E396 V397 A400 | V245-L280 HydrophobicContact CG1-CD1 4.07Å; V245-L280 HydrophobicContact CG2-CD1 3.73Å; M276-L280 HydrophobicContact CE-CD1 4.47Å; M276-L280 HydrophobicContact CG-CD1 3.96Å; M276-L280 WeakPolarHBondContact O-CD1 3.2Å; M276-L280 WeakPolarHBondContact O-CG 3.3Å; M276-L280 PolarHBondContact O-N 3.32Å; F277-L280 PolarHBondContact O-N 3.42Å; N278-L280 VanDerWaalsContact C-N 3.32Å; L280-F282 HydrophobicContact CB-CD2 3.92Å; L280-F282 HydrophobicContact CB-CE2 4Å; L280-E396 HydrophobicContact CD2-CB 4.44Å; L280-E396 HydrophobicContact CD2-CG 3.58Å; L280-V397 HydrophobicContact CD1-CG2 3.86Å; L280-V397 HydrophobicContact CD2-CG2 4.43Å; L280-A400 HydrophobicContact CD2-CB 4.19Å; L280-A400 HydrophobicContact CG-CB 4.17Å |
| 281 | G | 95.5 | Very high | 94.2 | Very high | 66 Ų | 66 | 33.4 Ų | 33.4 | 68% | 0.68 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 84.5 | 9.5 | 174 | 0 | 0 | 0 | 0 | 0 | 116.1 | F277 N278 D279 | F277-G281 PolarHBondContact O-N 3.16Å; N278-G281 PolarHBondContact O-N 2.87Å; D279-G281 PolarHBondContact O-N 2.97Å; D279-G281 VanDerWaalsContact O-N 3.08Å |
| 282 | F | 95.5 | Very high | 93.5 | Very high | 31 Ų | 31 | 34.7 Ų | 34.7 | 14% | 0.136 | 20% | 0.204 | C | C | . | . | trans | -82.3 | 138.5 | 176.8 | -65.4 | -97.9 | 0 | 0 | 0 | 111.9 | V245 V248 K249 F277 L280 V284 | V245-F282 HydrophobicContact CG1-CE2 4.05Å; V245-F282 HydrophobicContact CG1-CZ 4.24Å; V248-F282 HydrophobicContact CB-CE1 4.46Å; V248-F282 HydrophobicContact CG1-CD1 4.02Å; V248-F282 HydrophobicContact CG1-CE1 3.78Å; K249-F282 HydrophobicContact CB-CE1 4.37Å; K249-F282 HydrophobicContact CB-CZ 4.01Å; F277-F282 HydrophobicContact CB-CB 4.27Å; F277-F282 HydrophobicContact CD1-CB 4.01Å; F277-F282 HydrophobicContact CD1-CD1 4.24Å; F277-F282 AromaticContact CD1-CD2 3.7Å; F277-F282 HydrophobicContact CD1-CD2 3.7Å; F277-F282 HydrophobicContact CD1-CE2 4.2Å; F277-F282 AromaticContact CD1-CG 3.72Å; F277-F282 HydrophobicContact CD1-CG 3.72Å; F277-F282 HydrophobicContact CE1-CD2 4.38Å; F277-F282 HydrophobicContact CE1-CE2 4.46Å; F277-F282 HydrophobicContact CE1-CG 4.43Å; F277-F282 WeakPolarHBondContact O-CB 3.35Å; F277-F282 WeakPolarHBondContact O-CD2 3.38Å; F277-F282 PolarHBondContact O-N 3.43Å; L280-F282 HydrophobicContact CB-CD2 3.92Å; L280-F282 HydrophobicContact CB-CE2 4Å; F282-V284 PolarHBondContact O-N 3.18Å | ||
| 283 | R | 93.8 | Very high | 92.7 | Very high | 137 Ų | 137 | 35.5 Ų | 35.5 | 52% | 0.517 | 21% | 0.208 | S | C | . | . | trans | -75.6 | 91.9 | 169.1 | -69.4 | -171.9 | -70.9 | 160 | -14.5 | 110.5 | R307 L308 K309 V310 | R283-R307 PolarHBondContact NH1-O 2.94Å; R283-L308 HydrophobicContact CB-CD2 4.43Å; R283-K309 VanDerWaalsContact NH2-CE 3.3Å; R283-K309 PolarHBondContact O-N 2.94Å; R283-V310 PolarHBondContact O-N 3.47Å; R283-V310 VanDerWaalsContact O-N 3.12Å | ||
| 284 | V | 95.7 | Very high | 92 | Very high | 14 Ų | 14 | 46.2 Ų | 46.2 | 9% | 0.085 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 146.6 | -171.9 | 64.7 | 0 | 0 | 0 | 0 | 112.6 | S274 F277 N278 F282 V310 I312 | S274-V284 VanDerWaalsContact O-CG1 3.24Å; S274-V284 WeakPolarHBondContact O-CG1 3.27Å; F277-V284 HydrophobicContact CB-CB 4.12Å; F277-V284 HydrophobicContact CB-CG1 3.79Å; F277-V284 HydrophobicContact CB-CG2 4.2Å; N278-V284 HydrophobicContact CB-CG1 3.8Å; F282-V284 PolarHBondContact O-N 3.18Å; V284-V310 CarbonylContact C-O 3.56Å; V284-V310 VanDerWaalsContact CA-O 3.27Å; V284-V310 WeakPolarHBondContact CA-O 2.88Å; V284-V310 HydrophobicContact CB-CB 4.12Å; V284-V310 HydrophobicContact CG2-CB 3.94Å; V284-V310 HydrophobicContact CG2-CG1 3.91Å; V284-I312 HydrophobicContact CG2-CD1 3.83Å; V284-I312 HydrophobicContact CG2-CG1 3.68Å |
| 285 | G | 93.8 | Very high | 91.5 | Very high | 6 Ų | 6 | 50.7 Ų | 50.7 | 6% | 0.062 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 165.7 | 166.4 | 0 | 0 | 0 | 0 | 0 | 112 | V310 I312 | G285-V310 PolarHBondContact N-O 3.19Å; G285-I312 PolarHBondContact O-N 3Å |
| 286 | A | 93.7 | Very high | 90.9 | Very high | 5 Ų | 5 | 49.4 Ų | 49.4 | 4% | 0.041 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 144.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | I291 I312 | A286-I291 HydrophobicContact CB-CD1 3.59Å; A286-I291 VanDerWaalsContact O-CD1 3.28Å; A286-I291 WeakPolarHBondContact O-CD1 3.22Å; A286-I312 CarbonylContact C-O 3.59Å; A286-I312 VanDerWaalsContact CA-O 3.26Å; A286-I312 WeakPolarHBondContact CA-O 3.5Å |
| 287 | L | 91 | Very high | 90.2 | Very high | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.01 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 104 | 171.7 | -65.6 | 177.7 | 0 | 0 | 0 | 110.3 | R296 F300 L311 I312 C313 T314 A317 L321 | L287-R296 HydrophobicContact CD2-CB 3.73Å; L287-R296 HydrophobicContact CD2-CG 4.15Å; L287-R296 VanDerWaalsContact CD2-O 3.23Å; L287-R296 WeakPolarHBondContact CD2-O 3.47Å; L287-F300 HydrophobicContact CD1-CB 4.46Å; L287-F300 HydrophobicContact CD1-CD2 4.38Å; L287-L311 HydrophobicContact CD1-CD1 3.91Å; L287-L311 HydrophobicContact CD1-CD2 3.64Å; L287-L311 HydrophobicContact CD1-CG 4Å; L287-L311 HydrophobicContact CG-CD1 3.83Å; L287-L311 HydrophobicContact CG-CD2 4.46Å; L287-L311 HydrophobicContact CG-CG 4.33Å; L287-I312 PolarHBondContact N-O 3.44Å; L287-C313 HydrophobicContact CB-CB 3.88Å; L287-C313 WeakPolarHBondContact O-CA 3.4Å; L287-T314 PolarHBondContact O-N 3.3Å; L287-T314 VanDerWaalsContact O-N 3.12Å; L287-A317 HydrophobicContact CB-CB 4.36Å; L287-A317 WeakPolarHBondContact O-CB 3.26Å; L287-L321 HydrophobicContact CD1-CD1 3.45Å; L287-L321 VanDerWaalsContact CD1-CD1 3.45Å |
| 288 | H | 90.2 | Very high | 89.7 | Confident | 1 Ų | 1 | 55.1 Ų | 55.1 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | trans | -150.2 | 162.9 | 172.3 | 61.3 | 78.4 | 0 | 0 | 0 | 111.2 | C267 C270 Q271 M290 I291 T314 A317 F413 | C267-H288 HydrophobicContact CB-CB 4.04Å; C270-H288 HydrophobicContact CB-CB 4.31Å; Q271-H288 PolarHBondContact OE1-NE2 3.15Å; H288-M290 WeakPolarHBondContact ND1-CB 3.49Å; H288-M290 PolarHBondContact ND1-N 2.87Å; H288-M290 PolarHBondContact O-N 3.38Å; H288-I291 VanDerWaalsContact CE1-CG1 3.44Å; H288-I291 WeakPolarHBondContact CE1-CG1 3.29Å; H288-I291 VanDerWaalsContact NE2-CD1 3.29Å; H288-I291 WeakPolarHBondContact NE2-CD1 3.24Å; H288-I291 WeakPolarHBondContact NE2-CG1 3.49Å; H288-I291 PolarHBondContact O-N 3.48Å; H288-I291 VanDerWaalsContact O-N 3.08Å; H288-T314 HydrophobicContact CB-CG2 3.91Å; H288-A317 VanDerWaalsContact CA-CB 3.47Å; H288-F413 AromaticContact CE1-CE2 3.88Å; H288-F413 AromaticContact CE1-CZ 3.47Å; H288-F413 VanDerWaalsContact CE1-CZ 3.47Å; H288-F413 WeakPolarHBondContact CE1-CZ 3Å | ||
| 289 | S | 82.8 | Confident | 89.3 | Confident | 48 Ų | 48 | 51 Ų | 51 | 34% | 0.336 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -4.6 | -173.3 | 61.7 | 0 | 0 | 0 | 0 | 117.1 | C267 R417 | C267-S289 PolarHBondContact SG-OG 3.31Å; S289-R417 PolarHBondContact OG-NH1 3.17Å |
| 290 | M | 84.3 | Confident | 88.7 | Confident | 60 Ų | 60 | 47.5 Ų | 47.5 | 30% | 0.296 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | -12.1 | 178.5 | -64.1 | -69.3 | -54.5 | 0 | 0 | 112.8 | C267 H288 F413 R417 | C267-M290 HydrophobicContact CB-CG 4Å; H288-M290 WeakPolarHBondContact ND1-CB 3.49Å; H288-M290 PolarHBondContact ND1-N 2.87Å; H288-M290 PolarHBondContact O-N 3.38Å; M290-F413 HydrophobicContact CB-CE2 4.29Å; M290-F413 HydrophobicContact CB-CZ 3.92Å; M290-F413 HydrophobicContact CG-CE1 4.39Å; M290-F413 HydrophobicContact CG-CZ 4.18Å; M290-R417 HydrophobicContact CE-CB 3.99Å; M290-R417 HydrophobicContact SD-CB 3.75Å; M290-R417 WeakPolarHBondContact SD-CD 3.46Å; M290-R417 HydrophobicContact SD-CG 4.14Å |
| 291 | I | 85.6 | Confident | 88.1 | Confident | 18 Ų | 18 | 48.7 Ų | 48.7 | 9% | 0.092 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -80.7 | 141.2 | 172.5 | -69.3 | 164.9 | 0 | 0 | 0 | 108 | A286 H288 E295 R296 | A286-I291 HydrophobicContact CB-CD1 3.59Å; A286-I291 VanDerWaalsContact O-CD1 3.28Å; A286-I291 WeakPolarHBondContact O-CD1 3.22Å; H288-I291 VanDerWaalsContact CE1-CG1 3.44Å; H288-I291 WeakPolarHBondContact CE1-CG1 3.29Å; H288-I291 VanDerWaalsContact NE2-CD1 3.29Å; H288-I291 WeakPolarHBondContact NE2-CD1 3.24Å; H288-I291 WeakPolarHBondContact NE2-CG1 3.49Å; H288-I291 PolarHBondContact O-N 3.48Å; H288-I291 VanDerWaalsContact O-N 3.08Å; I291-E295 HydrophobicContact CG2-CB 3.57Å; I291-E295 HydrophobicContact CG2-CG 3.58Å; I291-R296 HydrophobicContact CB-CG 3.81Å; I291-R296 HydrophobicContact CG2-CG 3.63Å; I291-R296 WeakPolarHBondContact O-CD 3.45Å |
| 292 | A | 83.1 | Confident | 87.9 | Confident | 63 Ų | 63 | 47.8 Ų | 47.8 | 52% | 0.521 | 25% | 0.248 | S | C | . | . | trans | -59.6 | 143 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | R294 E295 R296 | A292-R294 VanDerWaalsContact C-N 3.25Å; A292-R294 PolarHBondContact O-N 3.01Å; A292-R294 VanDerWaalsContact O-N 3.16Å; A292-E295 PolarHBondContact O-N 3.14Å; A292-R296 PolarHBondContact O-N 3.43Å | ||
| 293 | Q | 80.4 | Confident | 87.6 | Confident | 17 Ų | 17 | 46.5 Ų | 46.5 | 8% | 0.079 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -56.9 | -38.9 | -173.8 | -169.1 | 63.6 | 23.6 | 0 | 0 | 112.7 | E92 F95 E295 R296 L297 | E92-Q293 PolarHBondContact OE1-NE2 2.78Å; E92-Q293 PolarHBondContact OE1-OE1 2.94Å; F95-Q293 HydrophobicContact CE2-CG 3.99Å; Q293-E295 VanDerWaalsContact C-N 3.33Å; Q293-E295 PolarHBondContact O-N 3.3Å; Q293-R296 WeakPolarHBondContact O-CB 3.24Å; Q293-R296 PolarHBondContact O-N 2.96Å; Q293-L297 WeakPolarHBondContact O-CG 3.49Å; Q293-L297 PolarHBondContact O-N 3.06Å |
| 294 | R | 83.3 | Confident | 87.1 | Confident | 224 Ų | 224 | 45.5 Ų | 45.5 | 85% | 0.845 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -58 | -43.5 | 174.8 | 179.4 | -179.9 | 172.9 | 123.1 | -1.3 | 112.5 | A292 L297 S298 | A292-R294 VanDerWaalsContact C-N 3.25Å; A292-R294 PolarHBondContact O-N 3.01Å; A292-R294 VanDerWaalsContact O-N 3.16Å; R294-L297 PolarHBondContact O-N 3.26Å; R294-S298 WeakPolarHBondContact O-CB 3.45Å; R294-S298 PolarHBondContact O-N 3.16Å |
| 295 | E | 87 | Confident | 86.7 | Confident | 107 Ų | 107 | 48 Ų | 48 | 50% | 0.5 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -73.2 | -32.8 | -179.8 | -176.6 | -178.8 | -177.8 | 0 | 0 | 111.5 | I291 A292 Q293 S298 S299 | I291-E295 HydrophobicContact CG2-CB 3.57Å; I291-E295 HydrophobicContact CG2-CG 3.58Å; A292-E295 PolarHBondContact O-N 3.14Å; Q293-E295 VanDerWaalsContact C-N 3.33Å; Q293-E295 PolarHBondContact O-N 3.3Å; E295-S298 PolarHBondContact O-N 3.37Å; E295-S299 WeakPolarHBondContact O-CB 3.44Å; E295-S299 PolarHBondContact O-N 3.4Å; E295-S299 PolarHBondContact O-OG 3.45Å |
| 296 | R | 85.6 | Confident | 86.3 | Confident | 11 Ų | 11 | 50.1 Ų | 50.1 | 4% | 0.042 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.2 | -50.1 | 170.1 | -64.9 | 177.4 | 69.5 | -155 | 1.7 | 111.2 | E92 L287 I291 A292 Q293 S298 S299 F300 A317 | E92-R296 IonicContact OE1-CZ 3.61Å; E92-R296 IonicContact OE1-NE 3.79Å; E92-R296 IonicContact OE1-NH1 2.69Å; E92-R296 PolarHBondContact OE1-NH1 3.4Å; E92-R296 IonicContact OE1-NH2 3.33Å; E92-R296 PolarHBondContact OE1-NH2 3.15Å; E92-R296 IonicContact OE2-CZ 2.64Å; E92-R296 IonicContact OE2-NH1 2.83Å; E92-R296 PolarHBondContact OE2-NH1 2.8Å; E92-R296 IonicContact OE2-NH2 3.42Å; E92-R296 PolarHBondContact OE2-NH2 3.2Å; L287-R296 HydrophobicContact CD2-CB 3.73Å; L287-R296 HydrophobicContact CD2-CG 4.15Å; L287-R296 VanDerWaalsContact CD2-O 3.23Å; L287-R296 WeakPolarHBondContact CD2-O 3.47Å; I291-R296 HydrophobicContact CB-CG 3.81Å; I291-R296 HydrophobicContact CG2-CG 3.63Å; I291-R296 WeakPolarHBondContact O-CD 3.45Å; A292-R296 PolarHBondContact O-N 3.43Å; Q293-R296 WeakPolarHBondContact O-CB 3.24Å; Q293-R296 PolarHBondContact O-N 2.96Å; R296-S298 VanDerWaalsContact C-N 3.31Å; R296-S298 PolarHBondContact O-N 3.14Å; R296-S299 PolarHBondContact O-N 3.43Å; R296-F300 WeakPolarHBondContact O-CB 3.26Å; R296-F300 PolarHBondContact O-N 3.1Å; R296-A317 VanDerWaalsContact NH2-CA 3.26Å; R296-A317 VanDerWaalsContact NH2-CB 3.33Å; R296-A317 PolarHBondContact NH2-O 2.99Å |
| 297 | L | 82.2 | Confident | 86.2 | Confident | 56 Ų | 56 | 57.5 Ų | 57.5 | 29% | 0.293 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62 | -39.7 | 177.1 | -68 | 175.2 | 0 | 0 | 0 | 111.7 | F95 Q293 R294 F300 A301 | F95-L297 HydrophobicContact CB-CD2 4.39Å; F95-L297 HydrophobicContact CD1-CD1 4.33Å; F95-L297 HydrophobicContact CD2-CD1 4.4Å; F95-L297 HydrophobicContact CD2-CD2 4.26Å; F95-L297 HydrophobicContact CE1-CD1 4.23Å; F95-L297 HydrophobicContact CE2-CD1 4.31Å; F95-L297 HydrophobicContact CG-CD1 4.43Å; F95-L297 HydrophobicContact CG-CD2 4.26Å; F95-L297 HydrophobicContact CZ-CD1 4.21Å; Q293-L297 WeakPolarHBondContact O-CG 3.49Å; Q293-L297 PolarHBondContact O-N 3.06Å; R294-L297 PolarHBondContact O-N 3.26Å; L297-F300 PolarHBondContact O-N 3.43Å; L297-A301 WeakPolarHBondContact O-CB 3.42Å; L297-A301 PolarHBondContact O-N 3.06Å |
| 298 | S | 88.1 | Confident | 86.2 | Confident | 64 Ų | 64 | 58.5 Ų | 58.5 | 45% | 0.448 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -63.4 | -50.2 | 175.9 | -175.6 | 0 | 0 | 0 | 0 | 112.3 | R294 E295 R296 F300 A301 L302 | R294-S298 WeakPolarHBondContact O-CB 3.45Å; R294-S298 PolarHBondContact O-N 3.16Å; E295-S298 PolarHBondContact O-N 3.37Å; R296-S298 VanDerWaalsContact C-N 3.31Å; R296-S298 PolarHBondContact O-N 3.14Å; S298-F300 VanDerWaalsContact C-N 3.27Å; S298-F300 PolarHBondContact O-N 3.22Å; S298-A301 PolarHBondContact O-N 3.46Å; S298-A301 VanDerWaalsContact O-N 3.16Å; S298-L302 VanDerWaalsContact O-CG 3.29Å; S298-L302 WeakPolarHBondContact O-CG 3.16Å; S298-L302 PolarHBondContact O-N 3.16Å |
| 299 | S | 89.1 | Confident | 86.3 | Confident | 15 Ų | 15 | 59.6 Ų | 59.6 | 11% | 0.105 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -58.3 | -42 | 177.2 | -62.9 | 0 | 0 | 0 | 0 | 111.3 | E295 R296 L302 F303 | E295-S299 WeakPolarHBondContact O-CB 3.44Å; E295-S299 PolarHBondContact O-N 3.4Å; E295-S299 PolarHBondContact O-OG 3.45Å; R296-S299 PolarHBondContact O-N 3.43Å; S299-L302 PolarHBondContact O-N 2.83Å; S299-F303 WeakPolarHBondContact O-CB 3.31Å; S299-F303 PolarHBondContact O-N 2.83Å |
| 300 | F | 84.7 | Confident | 86.9 | Confident | 25 Ų | 25 | 57.3 Ų | 57.3 | 11% | 0.11 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64 | -44.7 | 175.9 | -176.9 | -110.8 | 0 | 0 | 0 | 112.5 | L287 R296 L297 S298 L302 F303 K304 L311 L321 D322 L323 | L287-F300 HydrophobicContact CD1-CB 4.46Å; L287-F300 HydrophobicContact CD1-CD2 4.38Å; R296-F300 WeakPolarHBondContact O-CB 3.26Å; R296-F300 PolarHBondContact O-N 3.1Å; L297-F300 PolarHBondContact O-N 3.43Å; S298-F300 VanDerWaalsContact C-N 3.27Å; S298-F300 PolarHBondContact O-N 3.22Å; F300-L302 PolarHBondContact O-N 3.34Å; F300-F303 PolarHBondContact O-N 2.97Å; F300-K304 WeakPolarHBondContact O-CB 3.36Å; F300-K304 PolarHBondContact O-N 2.97Å; F300-L311 HydrophobicContact CD2-CD2 4.48Å; F300-L321 HydrophobicContact CD1-CD2 4.17Å; F300-L321 HydrophobicContact CD2-CD1 4.05Å; F300-L321 HydrophobicContact CD2-CD2 3.72Å; F300-L321 HydrophobicContact CD2-CG 4.39Å; F300-L321 HydrophobicContact CE1-CD2 4.12Å; F300-L321 HydrophobicContact CE2-CB 3.95Å; F300-L321 HydrophobicContact CE2-CD1 4.17Å; F300-L321 HydrophobicContact CE2-CD2 3.66Å; F300-L321 HydrophobicContact CE2-CG 4.17Å; F300-L321 HydrophobicContact CG-CD2 3.96Å; F300-L321 HydrophobicContact CZ-CB 4.3Å; F300-L321 HydrophobicContact CZ-CD2 3.87Å; F300-D322 WeakPolarHBondContact CZ-O 3.31Å; F300-L323 HydrophobicContact CD2-CD2 4.18Å; F300-L323 HydrophobicContact CE2-CD2 3.72Å; F300-L323 HydrophobicContact CE2-CG 4.04Å |
| 301 | A | 85.1 | Confident | 87.4 | Confident | 53 Ų | 53 | 54.5 Ų | 54.5 | 44% | 0.438 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -64.4 | -37.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | L297 S298 F303 K304 S305 | L297-A301 WeakPolarHBondContact O-CB 3.42Å; L297-A301 PolarHBondContact O-N 3.06Å; S298-A301 PolarHBondContact O-N 3.46Å; S298-A301 VanDerWaalsContact O-N 3.16Å; A301-F303 VanDerWaalsContact C-N 3.34Å; A301-K304 PolarHBondContact O-N 3.43Å; A301-S305 WeakPolarHBondContact O-CB 3.32Å; A301-S305 PolarHBondContact O-N 2.89Å; A301-S305 PolarHBondContact O-OG 2.86Å |
| 302 | L | 90.8 | Very high | 87.9 | Confident | 47 Ų | 47 | 53.6 Ų | 53.6 | 25% | 0.246 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.3 | -36.7 | 174.3 | -67.3 | 174.3 | 0 | 0 | 0 | 112 | S298 S299 F300 S305 N306 R307 L308 | S298-L302 VanDerWaalsContact O-CG 3.29Å; S298-L302 WeakPolarHBondContact O-CG 3.16Å; S298-L302 PolarHBondContact O-N 3.16Å; S299-L302 PolarHBondContact O-N 2.83Å; F300-L302 PolarHBondContact O-N 3.34Å; L302-S305 WeakPolarHBondContact CA-OG 3.26Å; L302-S305 PolarHBondContact O-OG 2.71Å; L302-N306 PolarHBondContact O-N 2.92Å; L302-R307 HydrophobicContact CB-CB 4.48Å; L302-R307 HydrophobicContact CD2-CB 4.25Å; L302-R307 VanDerWaalsContact CD2-NE 3.3Å; L302-R307 WeakPolarHBondContact O-CA 3.5Å; L302-R307 WeakPolarHBondContact O-CB 3.13Å; L302-R307 PolarHBondContact O-N 3.22Å; L302-L308 HydrophobicContact CB-CD1 3.71Å; L302-L308 HydrophobicContact CB-CG 3.75Å; L302-L308 HydrophobicContact CD1-CD1 4.29Å; L302-L308 PolarHBondContact O-N 3.25Å; L302-L308 VanDerWaalsContact O-N 3.08Å |
| 303 | F | 89.6 | Confident | 88.4 | Confident | 3 Ų | 3 | 50.7 Ų | 50.7 | 1% | 0.013 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -69 | -44.7 | 173.2 | -174.4 | -109.4 | 0 | 0 | 0 | 111.9 | V260 S299 F300 A301 S305 N306 L308 L311 L323 P324 V326 | V260-F303 WeakPolarHBondContact O-CE2 3.24Å; S299-F303 WeakPolarHBondContact O-CB 3.31Å; S299-F303 PolarHBondContact O-N 2.83Å; F300-F303 PolarHBondContact O-N 2.97Å; A301-F303 VanDerWaalsContact C-N 3.34Å; F303-S305 VanDerWaalsContact C-N 3.25Å; F303-S305 PolarHBondContact O-N 2.86Å; F303-N306 WeakPolarHBondContact O-CA 3.39Å; F303-N306 PolarHBondContact O-N 3.34Å; F303-L308 HydrophobicContact CB-CB 4.39Å; F303-L308 HydrophobicContact CD2-CB 4.39Å; F303-L308 WeakPolarHBondContact CD2-O 3.3Å; F303-L311 HydrophobicContact CB-CB 4.47Å; F303-L311 HydrophobicContact CB-CD1 4.46Å; F303-L311 HydrophobicContact CB-CD2 4.05Å; F303-L311 HydrophobicContact CD1-CB 4.12Å; F303-L311 HydrophobicContact CD1-CD2 3.51Å; F303-L311 HydrophobicContact CD1-CG 4.45Å; F303-L311 HydrophobicContact CD2-CB 3.56Å; F303-L311 HydrophobicContact CD2-CD2 4.36Å; F303-L311 HydrophobicContact CD2-CG 4.5Å; F303-L311 HydrophobicContact CE1-CB 4.18Å; F303-L311 HydrophobicContact CE1-CD2 3.96Å; F303-L311 HydrophobicContact CE2-CB 3.62Å; F303-L311 HydrophobicContact CG-CB 3.79Å; F303-L311 HydrophobicContact CG-CD2 3.72Å; F303-L311 HydrophobicContact CG-CG 4.28Å; F303-L311 HydrophobicContact CZ-CB 3.93Å; F303-L323 HydrophobicContact CD1-CD2 4.08Å; F303-L323 HydrophobicContact CE1-CD2 3.9Å; F303-P324 HydrophobicContact CD1-CG 3.89Å; F303-P324 HydrophobicContact CE1-CG 3.89Å; F303-V326 HydrophobicContact CE1-CG1 3.6Å; F303-V326 HydrophobicContact CZ-CG1 3.58Å |
| 304 | K | 84 | Confident | 88.9 | Confident | 117 Ų | 117 | 50.2 Ų | 50.2 | 51% | 0.509 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -58.9 | -34.8 | 175.9 | -167.6 | 174.7 | 179.2 | 176.3 | 0 | 113 | F300 A301 N306 P324 | F300-K304 WeakPolarHBondContact O-CB 3.36Å; F300-K304 PolarHBondContact O-N 2.97Å; A301-K304 PolarHBondContact O-N 3.43Å; K304-N306 VanDerWaalsContact C-N 3.27Å; K304-N306 PolarHBondContact O-N 3.34Å; K304-P324 HydrophobicContact CG-CB 4.45Å |
| 305 | S | 86.3 | Confident | 88.9 | Confident | 65 Ų | 65 | 41 Ų | 41 | 46% | 0.455 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85 | 8.9 | 174.4 | 53.8 | 0 | 0 | 0 | 0 | 114.2 | A301 L302 F303 R307 | A301-S305 WeakPolarHBondContact O-CB 3.32Å; A301-S305 PolarHBondContact O-N 2.89Å; A301-S305 PolarHBondContact O-OG 2.86Å; L302-S305 WeakPolarHBondContact CA-OG 3.26Å; L302-S305 PolarHBondContact O-OG 2.71Å; F303-S305 VanDerWaalsContact C-N 3.25Å; F303-S305 PolarHBondContact O-N 2.86Å; S305-R307 PolarHBondContact O-N 3.41Å; S305-R307 VanDerWaalsContact O-N 3.07Å |
| 306 | N | 86.3 | Confident | 88.1 | Confident | 51 Ų | 51 | 40 Ų | 40 | 27% | 0.273 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57 | 20 | -178.3 | -157.1 | 10.5 | 0 | 0 | 0 | 114 | H257 L302 F303 K304 K309 | H257-N306 PolarHBondContact O-ND2 3.14Å; L302-N306 PolarHBondContact O-N 2.92Å; F303-N306 WeakPolarHBondContact O-CA 3.39Å; F303-N306 PolarHBondContact O-N 3.34Å; K304-N306 VanDerWaalsContact C-N 3.27Å; K304-N306 PolarHBondContact O-N 3.34Å; N306-K309 PolarHBondContact ND2-NZ 2.86Å; N306-K309 VanDerWaalsContact ND2-NZ 3.12Å; N306-K309 WeakPolarHBondContact O-CE 3.4Å; N306-K309 WeakPolarHBondContact OD1-CD 3.31Å; N306-K309 WeakPolarHBondContact OD1-CE 3.28Å; N306-K309 PolarHBondContact OD1-NZ 3.37Å |
| 307 | R | 90 | Very high | 87.1 | Confident | 160 Ų | 160 | 39.5 Ų | 39.5 | 60% | 0.604 | 21% | 0.212 | S | C | * | . | S | Bend | trans | -78 | -34.6 | 173.9 | -70.5 | -159.3 | -75.7 | 177.3 | -4.2 | 111.4 | R283 L302 S305 | R283-R307 PolarHBondContact NH1-O 2.94Å; L302-R307 HydrophobicContact CB-CB 4.48Å; L302-R307 HydrophobicContact CD2-CB 4.25Å; L302-R307 VanDerWaalsContact CD2-NE 3.3Å; L302-R307 WeakPolarHBondContact O-CA 3.5Å; L302-R307 WeakPolarHBondContact O-CB 3.13Å; L302-R307 PolarHBondContact O-N 3.22Å; S305-R307 PolarHBondContact O-N 3.41Å; S305-R307 VanDerWaalsContact O-N 3.07Å |
| 308 | L | 91.6 | Very high | 86.1 | Confident | 24 Ų | 24 | 37.2 Ų | 37.2 | 13% | 0.126 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -96.4 | 134 | 161.2 | -63.5 | 175.1 | 0 | 0 | 0 | 109 | R283 L302 F303 | R283-L308 HydrophobicContact CB-CD2 4.43Å; L302-L308 HydrophobicContact CB-CD1 3.71Å; L302-L308 HydrophobicContact CB-CG 3.75Å; L302-L308 HydrophobicContact CD1-CD1 4.29Å; L302-L308 PolarHBondContact O-N 3.25Å; L302-L308 VanDerWaalsContact O-N 3.08Å; F303-L308 HydrophobicContact CB-CB 4.39Å; F303-L308 HydrophobicContact CD2-CB 4.39Å; F303-L308 WeakPolarHBondContact CD2-O 3.3Å |
| 309 | K | 92 | Very high | 85.2 | Confident | 24 Ų | 24 | 37.1 Ų | 37.1 | 10% | 0.104 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -92.8 | -27.1 | 179.4 | -64.2 | -69.8 | 169.4 | 176.8 | 0 | 111.9 | P256 T258 V260 R283 N306 | P256-K309 WeakPolarHBondContact O-CE 3.4Å; P256-K309 PolarHBondContact O-NZ 3.47Å; T258-K309 VanDerWaalsContact O-CD 3.22Å; T258-K309 WeakPolarHBondContact O-CD 3.25Å; V260-K309 PolarHBondContact N-O 2.97Å; R283-K309 VanDerWaalsContact NH2-CE 3.3Å; R283-K309 PolarHBondContact O-N 2.94Å; N306-K309 PolarHBondContact ND2-NZ 2.86Å; N306-K309 VanDerWaalsContact ND2-NZ 3.12Å; N306-K309 WeakPolarHBondContact O-CE 3.4Å; N306-K309 WeakPolarHBondContact OD1-CD 3.31Å; N306-K309 WeakPolarHBondContact OD1-CE 3.28Å; N306-K309 PolarHBondContact OD1-NZ 3.37Å |
| 310 | V | 94.9 | Very high | 83.6 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 134.1 | -178.9 | -172.9 | 0 | 0 | 0 | 0 | 108.9 | V248 V260 I262 R283 V284 G285 I312 | V248-V310 HydrophobicContact CG1-CG2 3.86Å; V260-V310 HydrophobicContact CB-CG2 4.35Å; V260-V310 CarbonylContact O-C 3.53Å; V260-V310 WeakPolarHBondContact O-CA 3.48Å; I262-V310 HydrophobicContact CD1-CG1 3.56Å; I262-V310 HydrophobicContact CG1-CG1 3.91Å; R283-V310 PolarHBondContact O-N 3.47Å; R283-V310 VanDerWaalsContact O-N 3.12Å; V284-V310 CarbonylContact C-O 3.56Å; V284-V310 VanDerWaalsContact CA-O 3.27Å; V284-V310 WeakPolarHBondContact CA-O 2.88Å; V284-V310 HydrophobicContact CB-CB 4.12Å; V284-V310 HydrophobicContact CG2-CB 3.94Å; V284-V310 HydrophobicContact CG2-CG1 3.91Å; G285-V310 PolarHBondContact N-O 3.19Å; V310-I312 HydrophobicContact CG1-CG1 4.15Å |
| 311 | L | 95 | Very high | 82.6 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 120.6 | 171.1 | -173 | 63.3 | 0 | 0 | 0 | 108.5 | V260 L261 I262 L287 F300 F303 L323 | V260-L311 PolarHBondContact O-N 3.49Å; L261-L311 CarbonylContact C-O 3.59Å; L261-L311 WeakPolarHBondContact CA-O 3.17Å; L261-L311 HydrophobicContact CD1-CB 3.98Å; L261-L311 HydrophobicContact CD1-CD2 3.98Å; L261-L311 HydrophobicContact CD1-CG 4.09Å; I262-L311 PolarHBondContact N-O 3.46Å; L287-L311 HydrophobicContact CD1-CD1 3.91Å; L287-L311 HydrophobicContact CD1-CD2 3.64Å; L287-L311 HydrophobicContact CD1-CG 4Å; L287-L311 HydrophobicContact CG-CD1 3.83Å; L287-L311 HydrophobicContact CG-CD2 4.46Å; L287-L311 HydrophobicContact CG-CG 4.33Å; F300-L311 HydrophobicContact CD2-CD2 4.48Å; F303-L311 HydrophobicContact CB-CB 4.47Å; F303-L311 HydrophobicContact CB-CD1 4.46Å; F303-L311 HydrophobicContact CB-CD2 4.05Å; F303-L311 HydrophobicContact CD1-CB 4.12Å; F303-L311 HydrophobicContact CD1-CD2 3.51Å; F303-L311 HydrophobicContact CD1-CG 4.45Å; F303-L311 HydrophobicContact CD2-CB 3.56Å; F303-L311 HydrophobicContact CD2-CD2 4.36Å; F303-L311 HydrophobicContact CD2-CG 4.5Å; F303-L311 HydrophobicContact CE1-CB 4.18Å; F303-L311 HydrophobicContact CE1-CD2 3.96Å; F303-L311 HydrophobicContact CE2-CB 3.62Å; F303-L311 HydrophobicContact CG-CB 3.79Å; F303-L311 HydrophobicContact CG-CD2 3.72Å; F303-L311 HydrophobicContact CG-CG 4.28Å; F303-L311 HydrophobicContact CZ-CB 3.93Å; L311-L323 HydrophobicContact CD2-CD2 3.62Å |
| 312 | I | 96 | Very high | 81.4 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 131.1 | 177.5 | -47.9 | -169.4 | 0 | 0 | 0 | 108.2 | I262 C270 L273 F277 V284 G285 A286 L287 V310 | I262-I312 HydrophobicContact CB-CB 4.45Å; I262-I312 HydrophobicContact CB-CG1 4.11Å; I262-I312 HydrophobicContact CB-CG2 4.27Å; I262-I312 HydrophobicContact CD1-CD1 4.31Å; I262-I312 HydrophobicContact CD1-CG1 4.25Å; I262-I312 HydrophobicContact CG1-CG1 4.43Å; I262-I312 HydrophobicContact CG2-CG2 4.41Å; I262-I312 CarbonylContact O-C 3.57Å; I262-I312 VanDerWaalsContact O-CA 3.31Å; I262-I312 WeakPolarHBondContact O-CA 3.35Å; C270-I312 VanDerWaalsContact SG-C 3.59Å; C270-I312 PolarHBondContact SG-O 3Å; C270-I312 VanDerWaalsContact SG-O 3.35Å; L273-I312 HydrophobicContact CB-CD1 3.69Å; L273-I312 HydrophobicContact CB-CG2 4.33Å; L273-I312 HydrophobicContact CD1-CG2 4.36Å; F277-I312 HydrophobicContact CD2-CD1 3.72Å; F277-I312 HydrophobicContact CE2-CD1 4.22Å; F277-I312 HydrophobicContact CG-CD1 4.34Å; V284-I312 HydrophobicContact CG2-CD1 3.83Å; V284-I312 HydrophobicContact CG2-CG1 3.68Å; G285-I312 PolarHBondContact O-N 3Å; A286-I312 CarbonylContact C-O 3.59Å; A286-I312 VanDerWaalsContact CA-O 3.26Å; A286-I312 WeakPolarHBondContact CA-O 3.5Å; L287-I312 PolarHBondContact N-O 3.44Å; V310-I312 HydrophobicContact CG1-CG1 4.15Å |
| 313 | C | 93.5 | Very high | 80.2 | Confident | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.007 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 158.1 | -175.4 | 60.6 | 0 | 0 | 0 | 0 | 112.8 | I262 F263 S264 L287 | I262-C313 PolarHBondContact O-N 2.99Å; F263-C313 CarbonylContact C-O 3.52Å; F263-C313 WeakPolarHBondContact CA-O 3.05Å; S264-C313 PolarHBondContact N-O 2.81Å; S264-C313 PolarHBondContact OG-O 2.79Å; L287-C313 HydrophobicContact CB-CB 3.88Å; L287-C313 WeakPolarHBondContact O-CA 3.4Å |
| 314 | T | 91.5 | Very high | 78.9 | Confident | 8 Ų | 8 | 35.5 Ų | 35.5 | 5% | 0.049 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 151.8 | 163.2 | 58 | 0 | 0 | 0 | 0 | 109.6 | C270 L287 H288 V316 A317 S318 | C270-T314 HydrophobicContact CB-CG2 4.04Å; L287-T314 PolarHBondContact O-N 3.3Å; L287-T314 VanDerWaalsContact O-N 3.12Å; H288-T314 HydrophobicContact CB-CG2 3.91Å; T314-V316 VanDerWaalsContact C-N 3.27Å; T314-V316 PolarHBondContact O-N 3.35Å; T314-V316 VanDerWaalsContact O-N 3.16Å; T314-A317 CarbonylContact O-C 3.56Å; T314-A317 WeakPolarHBondContact O-CA 3.47Å; T314-A317 PolarHBondContact O-N 3.2Å; T314-A317 WeakPolarHBondContact OG1-CB 3.46Å; T314-S318 PolarHBondContact O-N 2.84Å; T314-S318 PolarHBondContact O-OG 3.09Å; T314-S318 VanDerWaalsContact O-OG 3.1Å |
| 315 | D | 83.4 | Confident | 78.2 | Confident | 31 Ų | 31 | 32.3 Ų | 32.3 | 17% | 0.166 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -45.4 | -52.4 | 178 | -68.4 | -62.9 | 0 | 0 | 0 | 113 | A317 S318 R319 T340 R344 | D315-A317 PolarHBondContact O-N 3.37Å; D315-A317 VanDerWaalsContact O-N 3.15Å; D315-S318 VanDerWaalsContact CA-OG 3.3Å; D315-S318 WeakPolarHBondContact CA-OG 3.45Å; D315-S318 PolarHBondContact O-N 3.23Å; D315-S318 VanDerWaalsContact O-N 3.16Å; D315-S318 PolarHBondContact O-OG 3.15Å; D315-R319 VanDerWaalsContact O-CG 3.27Å; D315-R319 WeakPolarHBondContact O-CG 3.25Å; D315-R319 PolarHBondContact O-N 2.82Å; D315-T340 WeakPolarHBondContact OD1-CG2 3.22Å; D315-R344 VanDerWaalsContact CG-NH2 3.3Å; D315-R344 IonicContact OD1-CZ 2.74Å; D315-R344 IonicContact OD1-NE 2.9Å; D315-R344 PolarHBondContact OD1-NE 3.07Å; D315-R344 IonicContact OD1-NH2 3.7Å; D315-R344 PolarHBondContact OD1-NH2 2.96Å; D315-R344 IonicContact OD2-CZ 2.84Å; D315-R344 IonicContact OD2-NE 2.85Å; D315-R344 IonicContact OD2-NH2 3.72Å; D315-R344 PolarHBondContact OD2-NH2 3.12Å |
| 316 | V | 69.8 | Low | 78.3 | Confident | 84 Ų | 84 | 29.2 Ų | 29.2 | 51% | 0.509 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -55.7 | -36.4 | -179 | 175.6 | 0 | 0 | 0 | 0 | 111.8 | T314 | T314-V316 VanDerWaalsContact C-N 3.27Å; T314-V316 PolarHBondContact O-N 3.35Å; T314-V316 VanDerWaalsContact O-N 3.16Å |
| 317 | A | 66.1 | Low | 78.4 | Confident | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.008 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -90 | -18.4 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | L287 H288 R296 T314 D315 L321 | L287-A317 HydrophobicContact CB-CB 4.36Å; L287-A317 WeakPolarHBondContact O-CB 3.26Å; H288-A317 VanDerWaalsContact CA-CB 3.47Å; R296-A317 VanDerWaalsContact NH2-CA 3.26Å; R296-A317 VanDerWaalsContact NH2-CB 3.33Å; R296-A317 PolarHBondContact NH2-O 2.99Å; T314-A317 CarbonylContact O-C 3.56Å; T314-A317 WeakPolarHBondContact O-CA 3.47Å; T314-A317 PolarHBondContact O-N 3.2Å; T314-A317 WeakPolarHBondContact OG1-CB 3.46Å; D315-A317 PolarHBondContact O-N 3.37Å; D315-A317 VanDerWaalsContact O-N 3.15Å; A317-L321 WeakPolarHBondContact O-CD1 3.32Å |
| 318 | S | 60 | Low | 78.6 | Confident | 8 Ų | 8 | 21.8 Ų | 21.8 | 6% | 0.056 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -88.6 | -15.8 | 171.4 | 49.7 | 0 | 0 | 0 | 0 | 114.1 | F263 T314 D315 G320 L321 | F263-S318 WeakPolarHBondContact CE1-OG 3.47Å; T314-S318 PolarHBondContact O-N 2.84Å; T314-S318 PolarHBondContact O-OG 3.09Å; T314-S318 VanDerWaalsContact O-OG 3.1Å; D315-S318 VanDerWaalsContact CA-OG 3.3Å; D315-S318 WeakPolarHBondContact CA-OG 3.45Å; D315-S318 PolarHBondContact O-N 3.23Å; D315-S318 VanDerWaalsContact O-N 3.16Å; D315-S318 PolarHBondContact O-OG 3.15Å; S318-G320 PolarHBondContact O-N 3Å; S318-L321 WeakPolarHBondContact O-CB 3.38Å; S318-L321 PolarHBondContact O-N 3.48Å; S318-L321 VanDerWaalsContact O-N 3.16Å |
| 319 | R | 69 | Low | 78.8 | Confident | 62 Ų | 62 | 20.6 Ų | 20.6 | 23% | 0.234 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | 132.9 | -178.6 | -85.5 | 168.2 | -161.9 | -167.5 | -2.9 | 110.6 | S90 D315 L321 | S90-R319 VanDerWaalsContact CB-O 3.26Å; S90-R319 WeakPolarHBondContact CB-O 3.24Å; S90-R319 PolarHBondContact OG-O 2.93Å; D315-R319 VanDerWaalsContact O-CG 3.27Å; D315-R319 WeakPolarHBondContact O-CG 3.25Å; D315-R319 PolarHBondContact O-N 2.82Å; R319-L321 PolarHBondContact O-N 3.13Å |
| 320 | G | 56.8 | Low | 79 | Confident | 2 Ų | 2 | 19.5 Ų | 19.5 | 2% | 0.021 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.4 | 19.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | L93 Q96 E165 S318 D322 | L93-G320 VanDerWaalsContact CA-O 3.22Å; L93-G320 WeakPolarHBondContact CA-O 3.45Å; L93-G320 VanDerWaalsContact CB-O 3.31Å; L93-G320 WeakPolarHBondContact CB-O 3.17Å; L93-G320 VanDerWaalsContact CD1-O 3.27Å; L93-G320 WeakPolarHBondContact CD1-O 3.49Å; L93-G320 PolarHBondContact N-O 3.05Å; Q96-G320 PolarHBondContact OE1-O 3.27Å; Q96-G320 VanDerWaalsContact OE1-O 3.11Å; E165-G320 VanDerWaalsContact OE1-CA 3.29Å; E165-G320 WeakPolarHBondContact OE1-CA 3.46Å; E165-G320 PolarHBondContact OE1-N 3.12Å; S318-G320 PolarHBondContact O-N 3Å; G320-D322 PolarHBondContact O-N 2.8Å |
| 321 | L | 62 | Low | 79.2 | Confident | 6 Ų | 6 | 19.5 Ų | 19.5 | 3% | 0.031 | 10% | 0.103 | C | C | . | . | trans | -72.6 | 119.1 | 156 | -69.5 | 170.5 | 0 | 0 | 0 | 107.8 | E92 L287 F300 A317 S318 R319 L323 R347 | E92-L321 HydrophobicContact CB-CD2 3.43Å; E92-L321 VanDerWaalsContact CB-CD2 3.43Å; E92-L321 HydrophobicContact CB-CG 3.75Å; E92-L321 HydrophobicContact CG-CD1 4.42Å; E92-L321 HydrophobicContact CG-CD2 3.5Å; E92-L321 VanDerWaalsContact CG-CD2 3.5Å; E92-L321 HydrophobicContact CG-CG 3.84Å; L287-L321 HydrophobicContact CD1-CD1 3.45Å; L287-L321 VanDerWaalsContact CD1-CD1 3.45Å; F300-L321 HydrophobicContact CD1-CD2 4.17Å; F300-L321 HydrophobicContact CD2-CD1 4.05Å; F300-L321 HydrophobicContact CD2-CD2 3.72Å; F300-L321 HydrophobicContact CD2-CG 4.39Å; F300-L321 HydrophobicContact CE1-CD2 4.12Å; F300-L321 HydrophobicContact CE2-CB 3.95Å; F300-L321 HydrophobicContact CE2-CD1 4.17Å; F300-L321 HydrophobicContact CE2-CD2 3.66Å; F300-L321 HydrophobicContact CE2-CG 4.17Å; F300-L321 HydrophobicContact CG-CD2 3.96Å; F300-L321 HydrophobicContact CZ-CB 4.3Å; F300-L321 HydrophobicContact CZ-CD2 3.87Å; A317-L321 WeakPolarHBondContact O-CD1 3.32Å; S318-L321 WeakPolarHBondContact O-CB 3.38Å; S318-L321 PolarHBondContact O-N 3.48Å; S318-L321 VanDerWaalsContact O-N 3.16Å; R319-L321 PolarHBondContact O-N 3.13Å; L321-L323 HydrophobicContact CB-CD1 4.15Å; L321-L323 HydrophobicContact CB-CG 3.84Å; L321-L323 HydrophobicContact CD1-CD2 4.5Å; L321-L323 PolarHBondContact O-N 2.85Å; L321-R347 PolarHBondContact O-NH1 3.36Å | ||
| 322 | D | 61 | Low | 79.3 | Confident | 66 Ų | 66 | 19.5 Ų | 19.5 | 35% | 0.353 | 10% | 0.104 | S | C | . | . | trans | -73.4 | 71.4 | 157.8 | -171.6 | 37.5 | 0 | 0 | 0 | 108.2 | Q96 F300 G320 R350 | Q96-D322 HydrophobicContact CG-CB 4.24Å; F300-D322 WeakPolarHBondContact CZ-O 3.31Å; G320-D322 PolarHBondContact O-N 2.8Å; D322-R350 IonicContact OD1-CZ 3.27Å; D322-R350 IonicContact OD1-NH1 3.58Å; D322-R350 PolarHBondContact OD1-NH1 3.39Å | ||
| 323 | L | 65.8 | Low | 79.3 | Confident | 1 Ų | 1 | 20.9 Ų | 20.9 | 1% | 0.005 | 11% | 0.111 | C | C | . | . | trans | -52.1 | 135.2 | 170.4 | -75.1 | 147.2 | 0 | 0 | 0 | 107.8 | L261 F300 F303 L311 L321 R347 | L261-L323 HydrophobicContact CD1-CD1 4.21Å; L261-L323 HydrophobicContact CD1-CD2 3.96Å; L261-L323 HydrophobicContact CD2-CD1 3.39Å; L261-L323 HydrophobicContact CD2-CD2 4.39Å; L261-L323 HydrophobicContact CD2-CG 4.39Å; L261-L323 HydrophobicContact CG-CD1 4.46Å; F300-L323 HydrophobicContact CD2-CD2 4.18Å; F300-L323 HydrophobicContact CE2-CD2 3.72Å; F300-L323 HydrophobicContact CE2-CG 4.04Å; F303-L323 HydrophobicContact CD1-CD2 4.08Å; F303-L323 HydrophobicContact CE1-CD2 3.9Å; L311-L323 HydrophobicContact CD2-CD2 3.62Å; L321-L323 HydrophobicContact CB-CD1 4.15Å; L321-L323 HydrophobicContact CB-CG 3.84Å; L321-L323 HydrophobicContact CD1-CD2 4.5Å; L321-L323 PolarHBondContact O-N 2.85Å; L323-R347 HydrophobicContact CD1-CG 4.04Å | ||
| 324 | P | 61.6 | Low | 79.4 | Confident | 34 Ų | 34 | 21.5 Ų | 21.5 | 22% | 0.221 | 11% | 0.114 | C | C | . | . | trans | -51.4 | 156.5 | 168.5 | 30.7 | -40.8 | 0 | 0 | 0 | 108.8 | F303 K304 V326 | F303-P324 HydrophobicContact CD1-CG 3.89Å; F303-P324 HydrophobicContact CE1-CG 3.89Å; K304-P324 HydrophobicContact CG-CB 4.45Å; P324-V326 VanDerWaalsContact O-CG1 3.31Å; P324-V326 WeakPolarHBondContact O-CG1 3.47Å; P324-V326 PolarHBondContact O-N 2.69Å | ||
| 325 | F | 70.5 | Confident | 79.4 | Confident | 50 Ų | 50 | 21.3 Ų | 21.3 | 22% | 0.219 | 11% | 0.113 | C | C | . | . | trans | -48.6 | 113.5 | 172.9 | 172.9 | -93.4 | 0 | 0 | 0 | 109.9 | S259 D327 R350 R353 P354 | S259-F325 PolarHBondContact OG-O 3.23Å; F325-D327 WeakPolarHBondContact CE1-OD1 3.45Å; F325-R350 HydrophobicContact CD2-CB 4.22Å; F325-R353 HydrophobicContact CD2-CB 4.45Å; F325-R353 HydrophobicContact CE2-CB 3.57Å; F325-R353 HydrophobicContact CZ-CB 3.63Å; F325-P354 WeakPolarHBondContact CZ-O 3.46Å | ||
| 326 | V | 86.8 | Confident | 79.7 | Confident | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 14% | 0.136 | C | C | . | . | trans | -98.9 | 133.4 | 175.8 | -57.2 | 0 | 0 | 0 | 0 | 109.9 | S259 L261 F303 P324 L328 V329 R347 S348 | S259-V326 WeakPolarHBondContact OG-CA 3.48Å; L261-V326 HydrophobicContact CB-CB 4.47Å; L261-V326 HydrophobicContact CB-CG1 4.21Å; L261-V326 HydrophobicContact CB-CG2 4.12Å; F303-V326 HydrophobicContact CE1-CG1 3.6Å; F303-V326 HydrophobicContact CZ-CG1 3.58Å; P324-V326 VanDerWaalsContact O-CG1 3.31Å; P324-V326 WeakPolarHBondContact O-CG1 3.47Å; P324-V326 PolarHBondContact O-N 2.69Å; V326-L328 VanDerWaalsContact C-N 3.31Å; V326-V329 HydrophobicContact CG2-CG2 3.61Å; V326-R347 HydrophobicContact CG2-CB 4.21Å; V326-S348 WeakPolarHBondContact O-CA 3.12Å; V326-S348 WeakPolarHBondContact O-CB 3.13Å; V326-S348 PolarHBondContact O-OG 2.95Å | ||
| 327 | D | 90 | Very high | 80.5 | Confident | 49 Ų | 49 | 24.5 Ų | 24.5 | 26% | 0.262 | 14% | 0.135 | S | C | . | . | S | Bend | trans | -75.7 | -27.7 | -178 | -45.3 | -80.5 | 0 | 0 | 0 | 111.1 | F251 T258 S259 F325 K356 | F251-D327 HydrophobicContact CE1-CB 3.77Å; F251-D327 HydrophobicContact CZ-CB 3.73Å; T258-D327 WeakPolarHBondContact CA-OD2 3.24Å; T258-D327 WeakPolarHBondContact CB-OD2 3.33Å; T258-D327 VanDerWaalsContact OG1-CB 3.23Å; T258-D327 WeakPolarHBondContact OG1-CB 3.47Å; T258-D327 VanDerWaalsContact OG1-CG 3.26Å; T258-D327 PolarHBondContact OG1-OD2 3.02Å; S259-D327 PolarHBondContact N-OD2 2.66Å; S259-D327 PolarHBondContact O-N 3.21Å; S259-D327 VanDerWaalsContact O-N 3.14Å; F325-D327 WeakPolarHBondContact CE1-OD1 3.45Å; D327-K356 PolarHBondContact O-N 2.81Å |
| 328 | L | 94 | Very high | 81.4 | Confident | 6 Ų | 6 | 25.9 Ų | 25.9 | 3% | 0.031 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 124.4 | 177.6 | 176.3 | 63.5 | 0 | 0 | 0 | 112.5 | F251 S259 V260 L261 V326 I330 K356 V358 | F251-L328 HydrophobicContact CB-CD2 3.96Å; F251-L328 HydrophobicContact CD1-CB 3.68Å; F251-L328 HydrophobicContact CD1-CD2 3.64Å; F251-L328 HydrophobicContact CD1-CG 4.31Å; F251-L328 HydrophobicContact CD2-CD2 4.26Å; F251-L328 HydrophobicContact CE1-CB 3.27Å; F251-L328 HydrophobicContact CE1-CD2 4.13Å; F251-L328 HydrophobicContact CE1-CG 4.31Å; F251-L328 HydrophobicContact CE2-CB 4.42Å; F251-L328 HydrophobicContact CG-CB 4.36Å; F251-L328 HydrophobicContact CG-CD2 3.69Å; F251-L328 HydrophobicContact CZ-CB 3.72Å; S259-L328 PolarHBondContact O-N 2.93Å; V260-L328 WeakPolarHBondContact CA-O 3.47Å; V260-L328 HydrophobicContact CG1-CB 4.43Å; V260-L328 HydrophobicContact CG1-CD2 4.15Å; V260-L328 HydrophobicContact CG1-CG 4.24Å; V260-L328 HydrophobicContact CG2-CB 4.37Å; V260-L328 HydrophobicContact CG2-CD2 4.44Å; L261-L328 PolarHBondContact N-O 3.12Å; V326-L328 VanDerWaalsContact C-N 3.31Å; L328-I330 HydrophobicContact CD1-CG1 4.26Å; L328-I330 HydrophobicContact CD2-CD1 3.9Å; L328-I330 HydrophobicContact CD2-CG1 3.93Å; L328-I330 HydrophobicContact CG-CD1 4.38Å; L328-I330 HydrophobicContact CG-CG1 3.89Å; L328-K356 WeakPolarHBondContact CA-O 3.27Å; L328-K356 HydrophobicContact CD1-CB 3.87Å; L328-V358 HydrophobicContact CD1-CB 4.27Å; L328-V358 HydrophobicContact CD1-CG2 3.77Å |
| 329 | V | 94.6 | Very high | 82.4 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 129.2 | 163 | 170.6 | 0 | 0 | 0 | 0 | 109.2 | L261 F263 V326 V345 R347 K356 A357 V358 | L261-V329 CarbonylContact O-C 3.52Å; L261-V329 WeakPolarHBondContact O-CA 3.21Å; F263-V329 HydrophobicContact CD2-CG1 3.84Å; F263-V329 HydrophobicContact CE2-CG1 3.65Å; V326-V329 HydrophobicContact CG2-CG2 3.61Å; V329-V345 HydrophobicContact CG1-CG1 4.48Å; V329-R347 HydrophobicContact CG2-CB 4.03Å; V329-K356 PolarHBondContact N-O 3.41Å; V329-A357 HydrophobicContact CB-CB 4.41Å; V329-A357 CarbonylContact O-C 3.44Å; V329-A357 VanDerWaalsContact O-CA 3.28Å; V329-A357 WeakPolarHBondContact O-CA 3.48Å; V329-V358 PolarHBondContact O-N 2.93Å |
| 330 | I | 97.6 | Very high | 83.2 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 123.3 | 171.6 | -66.3 | 176.6 | 0 | 0 | 0 | 109.6 | V244 V248 V260 L261 I262 F263 L328 H332 V358 F360 | V244-I330 HydrophobicContact CG1-CD1 4.45Å; V244-I330 HydrophobicContact CG1-CG2 4.17Å; V248-I330 HydrophobicContact CG2-CD1 3.41Å; V248-I330 VanDerWaalsContact CG2-CD1 3.41Å; V260-I330 HydrophobicContact CG1-CD1 3.95Å; V260-I330 HydrophobicContact CG1-CG1 4.31Å; L261-I330 PolarHBondContact O-N 3.12Å; I262-I330 CarbonylContact C-O 3.58Å; I262-I330 WeakPolarHBondContact CA-O 3.1Å; I262-I330 HydrophobicContact CB-CB 4.46Å; I262-I330 HydrophobicContact CD1-CD1 4.47Å; I262-I330 HydrophobicContact CG1-CB 4.16Å; I262-I330 HydrophobicContact CG1-CD1 4.4Å; I262-I330 HydrophobicContact CG2-CB 4.28Å; I262-I330 HydrophobicContact CG2-CG2 4.06Å; F263-I330 PolarHBondContact N-O 3.04Å; L328-I330 HydrophobicContact CD1-CG1 4.26Å; L328-I330 HydrophobicContact CD2-CD1 3.9Å; L328-I330 HydrophobicContact CD2-CG1 3.93Å; L328-I330 HydrophobicContact CG-CD1 4.38Å; L328-I330 HydrophobicContact CG-CG1 3.89Å; I330-H332 PolarHBondContact O-N 3.27Å; I330-V358 CarbonylContact C-O 3.59Å; I330-V358 VanDerWaalsContact CA-O 3.29Å; I330-V358 WeakPolarHBondContact CA-O 3.33Å; I330-F360 HydrophobicContact CG2-CD2 3.66Å; I330-F360 HydrophobicContact CG2-CE2 3.55Å |
| 331 | N | 97.9 | Very high | 84.8 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 97.4 | 163.1 | -64.3 | -58.7 | 0 | 0 | 0 | 108.2 | N333 R344 V358 T359 F360 | N331-N333 PolarHBondContact O-N 3.41Å; N331-R344 WeakPolarHBondContact OD1-CD 3.46Å; N331-R344 PolarHBondContact OD1-NH1 3.28Å; N331-V358 PolarHBondContact N-O 3.48Å; N331-T359 HydrophobicContact CB-CG2 3.85Å; N331-T359 PolarHBondContact ND2-OG1 3.25Å; N331-F360 PolarHBondContact O-N 3.24Å |
| 332 | H | 98 | Very high | 85.8 | Confident | 1 Ų | 1 | 25.7 Ų | 25.7 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | S | Bend | trans | -64.6 | -34.3 | 174.7 | 171.4 | -88.6 | 0 | 0 | 0 | 111 | K240 D241 I262 F263 E269 I330 | K240-H332 PolarHBondContact NZ-CE1 3.29Å; K240-H332 PolarHBondContact NZ-O 3.2Å; D241-H332 IonicContact OD1-CE1 3.99Å; D241-H332 IonicContact OD1-NE2 3.98Å; D241-H332 PolarHBondContact OD1-NE2 3.23Å; I262-H332 HydrophobicContact CG2-CB 3.88Å; F263-H332 VanDerWaalsContact O-CB 3.3Å; F263-H332 WeakPolarHBondContact O-CB 3.49Å; F263-H332 PolarHBondContact O-N 3.16Å; E269-H332 IonicContact OE1-CE1 3.51Å; E269-H332 PolarHBondContact OE1-CE1 3.49Å; E269-H332 VanDerWaalsContact OE1-CE1 3.27Å; E269-H332 IonicContact OE1-ND1 3.7Å; E269-H332 IonicContact OE2-ND1 3.84Å; I330-H332 PolarHBondContact O-N 3.27Å |
| 333 | N | 95.8 | Very high | 86.6 | Confident | 29 Ų | 29 | 24 Ų | 24 | 16% | 0.155 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -120.6 | 133.7 | 168.3 | -46.7 | 75.9 | 0 | 0 | 0 | 107.8 | K240 H265 E269 N331 R344 | K240-N333 PolarHBondContact NZ-ND2 3.38Å; H265-N333 HydrophobicContact CB-CB 4.15Å; H265-N333 PolarHBondContact N-OD1 2.97Å; E269-N333 PolarHBondContact OE1-ND2 3.41Å; E269-N333 VanDerWaalsContact OE1-ND2 3.08Å; E269-N333 PolarHBondContact OE2-ND2 2.89Å; E269-N333 PolarHBondContact OE2-OD1 3.37Å; N331-N333 PolarHBondContact O-N 3.41Å; N333-R344 PolarHBondContact O-NH1 3.03Å |
| 334 | I | 94.7 | Very high | 87.7 | Confident | 14 Ų | 14 | 24.2 Ų | 24.2 | 7% | 0.072 | 14% | 0.136 | C | C | . | . | trans | -56.8 | 132.7 | 169 | -165 | 160.9 | 0 | 0 | 0 | 109.3 | T359 V361 D365 L368 V369 I372 | I334-T359 HydrophobicContact CB-CG2 4.21Å; I334-T359 HydrophobicContact CD1-CG2 4.38Å; I334-T359 HydrophobicContact CG1-CG2 4.13Å; I334-V361 HydrophobicContact CD1-CG2 4.44Å; I334-D365 HydrophobicContact CD1-CB 4.47Å; I334-D365 HydrophobicContact CG2-CB 3.88Å; I334-D365 WeakPolarHBondContact CG2-OD1 3.4Å; I334-L368 HydrophobicContact CD1-CB 3.72Å; I334-L368 HydrophobicContact CG1-CB 4Å; I334-L368 HydrophobicContact CG2-CB 3.99Å; I334-L368 HydrophobicContact CG2-CD1 3.51Å; I334-L368 HydrophobicContact CG2-CG 4.4Å; I334-V369 HydrophobicContact CD1-CB 4.21Å; I334-V369 HydrophobicContact CD1-CG2 3.38Å; I334-I372 HydrophobicContact CD1-CD1 3.89Å; I334-I372 HydrophobicContact CG1-CD1 3.57Å | ||
| 335 | P | 92.2 | Very high | 89 | Confident | 3 Ų | 3 | 22.6 Ų | 22.6 | 2% | 0.019 | 13% | 0.126 | C | C | . | . | trans | -67.8 | 146 | 176.5 | 26.6 | -31.9 | 0 | 0 | 0 | 110.5 | E337 T340 Y341 I372 | P335-E337 VanDerWaalsContact C-N 3.25Å; P335-E337 PolarHBondContact O-N 2.99Å; P335-T340 HydrophobicContact CB-CG2 3.72Å; P335-Y341 HydrophobicContact CG-CD2 4.3Å; P335-Y341 HydrophobicContact CG-CG 4.45Å; P335-I372 HydrophobicContact CG-CD1 4Å | ||
| 336 | A | 89.1 | Confident | 89.4 | Confident | 80 Ų | 80 | 20.8 Ų | 20.8 | 66% | 0.661 | 12% | 0.121 | S | C | * | . | S | Bend | trans | -70.3 | -24.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 337 | E | 86.7 | Confident | 89.1 | Confident | 103 Ų | 103 | 21.5 Ų | 21.5 | 48% | 0.481 | 12% | 0.124 | S | C | . | . | S | Bend | trans | -119.1 | 131.5 | -179.4 | -69.9 | 168.9 | -159.7 | 0 | 0 | 110.2 | P335 K339 T340 Y341 | P335-E337 VanDerWaalsContact C-N 3.25Å; P335-E337 PolarHBondContact O-N 2.99Å; E337-K339 VanDerWaalsContact C-N 3.26Å; E337-K339 PolarHBondContact O-N 3.27Å; E337-T340 WeakPolarHBondContact O-CB 3.34Å; E337-T340 PolarHBondContact O-N 3.43Å; E337-Y341 PolarHBondContact O-N 3.43Å |
| 338 | P | 86.3 | Confident | 88.7 | Confident | 29 Ų | 29 | 19.2 Ų | 19.2 | 19% | 0.188 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -56.6 | -35.6 | 177.3 | -29.9 | 37.6 | 0 | 0 | 0 | 114.5 | T340 Y341 V342 A371 I372 T375 | P338-T340 PolarHBondContact O-N 3.1Å; P338-Y341 VanDerWaalsContact O-CB 3.25Å; P338-Y341 WeakPolarHBondContact O-CB 3.4Å; P338-Y341 PolarHBondContact O-N 2.94Å; P338-V342 PolarHBondContact O-N 2.95Å; P338-A371 HydrophobicContact CG-CB 3.91Å; P338-A371 WeakPolarHBondContact CG-O 3.44Å; P338-I372 HydrophobicContact CB-CG1 4.31Å; P338-I372 HydrophobicContact CG-CG1 4.44Å; P338-T375 HydrophobicContact CB-CG2 3.79Å; P338-T375 WeakPolarHBondContact CB-OG1 3.31Å; P338-T375 WeakPolarHBondContact CG-OG1 3.24Å |
| 339 | K | 81 | Confident | 87.8 | Confident | 36 Ų | 36 | 18.9 Ų | 18.9 | 16% | 0.157 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -59.2 | -36 | 175.7 | -168.5 | -177.9 | 178.5 | -172.2 | 0 | 112.2 | D167 E171 T197 D200 E337 V342 H343 | D167-K339 WeakPolarHBondContact OD2-CE 3.33Å; D167-K339 IonicContact OD2-NZ 3.02Å; D167-K339 PolarHBondContact OD2-NZ 3.07Å; E171-K339 IonicContact OE1-NZ 3.75Å; E171-K339 PolarHBondContact OE1-NZ 3.24Å; T197-K339 VanDerWaalsContact OG1-CE 3.27Å; T197-K339 WeakPolarHBondContact OG1-CE 3.33Å; T197-K339 PolarHBondContact OG1-NZ 2.9Å; D200-K339 IonicContact OD2-NZ 3.12Å; D200-K339 PolarHBondContact OD2-NZ 3.03Å; E337-K339 VanDerWaalsContact C-N 3.26Å; E337-K339 PolarHBondContact O-N 3.27Å; K339-V342 PolarHBondContact O-N 3.42Å; K339-H343 PolarHBondContact O-N 3.21Å |
| 340 | T | 85.3 | Confident | 86.6 | Confident | 17 Ų | 17 | 20.5 Ų | 20.5 | 10% | 0.104 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -67.8 | -37.9 | 176.3 | -62.8 | 0 | 0 | 0 | 0 | 110.8 | D315 P335 E337 P338 V342 H343 R344 | D315-T340 WeakPolarHBondContact OD1-CG2 3.22Å; P335-T340 HydrophobicContact CB-CG2 3.72Å; E337-T340 WeakPolarHBondContact O-CB 3.34Å; E337-T340 PolarHBondContact O-N 3.43Å; P338-T340 PolarHBondContact O-N 3.1Å; T340-V342 PolarHBondContact O-N 3.42Å; T340-H343 PolarHBondContact O-N 3.07Å; T340-R344 HydrophobicContact CG2-CG 4.3Å; T340-R344 VanDerWaalsContact O-CG 3.28Å; T340-R344 WeakPolarHBondContact O-CG 3.42Å; T340-R344 PolarHBondContact O-N 3.08Å |
| 341 | Y | 89.5 | Confident | 85 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -55.9 | -52 | 174.1 | 176.1 | -95.1 | 0 | 0 | 0 | 111.9 | Q230 P335 E337 P338 H343 R344 V345 T359 I372 I376 L380 | Q230-Y341 PolarHBondContact OE1-OH 3.29Å; P335-Y341 HydrophobicContact CG-CD2 4.3Å; P335-Y341 HydrophobicContact CG-CG 4.45Å; E337-Y341 PolarHBondContact O-N 3.43Å; P338-Y341 VanDerWaalsContact O-CB 3.25Å; P338-Y341 WeakPolarHBondContact O-CB 3.4Å; P338-Y341 PolarHBondContact O-N 2.94Å; Y341-H343 VanDerWaalsContact C-N 3.28Å; Y341-H343 PolarHBondContact O-N 3.16Å; Y341-R344 PolarHBondContact O-N 3.04Å; Y341-R344 VanDerWaalsContact O-N 3.12Å; Y341-V345 HydrophobicContact CD1-CG1 4.45Å; Y341-V345 HydrophobicContact CD1-CG2 4.26Å; Y341-V345 HydrophobicContact CD2-CG1 4.06Å; Y341-V345 HydrophobicContact CE1-CG1 4.09Å; Y341-V345 HydrophobicContact CE1-CG2 3.92Å; Y341-V345 HydrophobicContact CE2-CG1 3.66Å; Y341-V345 HydrophobicContact CG-CG1 4.44Å; Y341-V345 WeakPolarHBondContact O-CG2 3.32Å; Y341-V345 PolarHBondContact O-N 3.08Å; Y341-T359 WeakPolarHBondContact CE2-OG1 3.43Å; Y341-I372 HydrophobicContact CD1-CG2 3.45Å; Y341-I372 VanDerWaalsContact CD1-CG2 3.45Å; Y341-I372 HydrophobicContact CD2-CD1 3.88Å; Y341-I372 HydrophobicContact CD2-CG2 3.97Å; Y341-I372 HydrophobicContact CE1-CG2 3.7Å; Y341-I372 HydrophobicContact CE2-CG2 4.17Å; Y341-I372 HydrophobicContact CG-CD1 4.01Å; Y341-I372 HydrophobicContact CG-CG1 4.17Å; Y341-I372 HydrophobicContact CG-CG2 3.6Å; Y341-I376 HydrophobicContact CD1-CG2 3.99Å; Y341-I376 HydrophobicContact CE1-CD1 4.08Å; Y341-I376 HydrophobicContact CE1-CG2 4.02Å; Y341-L380 WeakPolarHBondContact OH-CD2 3.34Å |
| 342 | V | 82.9 | Confident | 83.4 | Confident | 21 Ų | 21 | 28.6 Ų | 28.6 | 13% | 0.127 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -53.7 | -46 | 178.3 | 172 | 0 | 0 | 0 | 0 | 111.2 | V223 P338 K339 T340 R344 G346 I376 | V223-V342 HydrophobicContact CB-CG2 4.36Å; V223-V342 HydrophobicContact CG1-CB 4.25Å; V223-V342 HydrophobicContact CG1-CG1 3.53Å; V223-V342 HydrophobicContact CG1-CG2 3.69Å; P338-V342 PolarHBondContact O-N 2.95Å; K339-V342 PolarHBondContact O-N 3.42Å; T340-V342 PolarHBondContact O-N 3.42Å; V342-R344 PolarHBondContact O-N 3.27Å; V342-G346 PolarHBondContact O-N 3.42Å; V342-I376 HydrophobicContact CG2-CG2 4.02Å |
| 343 | H | 79.3 | Confident | 82.1 | Confident | 31 Ų | 31 | 35.9 Ų | 35.9 | 14% | 0.144 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -67.1 | -35.5 | -179.4 | -67.8 | 172 | 0 | 0 | 0 | 113.8 | D167 R168 K339 T340 Y341 R347 | D167-H343 IonicContact OD2-CE1 2.72Å; R168-H343 PolarHBondContact NH2-CE1 3.11Å; R168-H343 PolarHBondContact NH2-ND1 2.86Å; R168-H343 VanDerWaalsContact NH2-ND1 3.16Å; K339-H343 PolarHBondContact O-N 3.21Å; T340-H343 PolarHBondContact O-N 3.07Å; Y341-H343 VanDerWaalsContact C-N 3.28Å; Y341-H343 PolarHBondContact O-N 3.16Å; H343-R347 PolarHBondContact O-NE 2.91Å; H343-R347 VanDerWaalsContact O-NE 3.13Å |
| 344 | R | 88.2 | Confident | 81.5 | Confident | 5 Ų | 5 | 39.5 Ų | 39.5 | 2% | 0.019 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -68.5 | -51.5 | 176.3 | -70.7 | -175.4 | -177.9 | -176.7 | -0 | 111 | F263 D315 N331 N333 T340 Y341 V342 G346 R347 | F263-R344 HydrophobicContact CD1-CG 3.69Å; F263-R344 HydrophobicContact CD2-CB 3.85Å; F263-R344 HydrophobicContact CD2-CG 3.86Å; F263-R344 HydrophobicContact CE1-CB 4.24Å; F263-R344 HydrophobicContact CE1-CG 3.65Å; F263-R344 HydrophobicContact CE2-CB 3.59Å; F263-R344 HydrophobicContact CE2-CG 3.85Å; F263-R344 HydrophobicContact CG-CB 4.31Å; F263-R344 HydrophobicContact CG-CG 3.78Å; F263-R344 HydrophobicContact CZ-CB 3.81Å; F263-R344 HydrophobicContact CZ-CG 3.75Å; D315-R344 VanDerWaalsContact CG-NH2 3.3Å; D315-R344 IonicContact OD1-CZ 2.74Å; D315-R344 IonicContact OD1-NE 2.9Å; D315-R344 PolarHBondContact OD1-NE 3.07Å; D315-R344 IonicContact OD1-NH2 3.7Å; D315-R344 PolarHBondContact OD1-NH2 2.96Å; D315-R344 IonicContact OD2-CZ 2.84Å; D315-R344 IonicContact OD2-NE 2.85Å; D315-R344 IonicContact OD2-NH2 3.72Å; D315-R344 PolarHBondContact OD2-NH2 3.12Å; N331-R344 WeakPolarHBondContact OD1-CD 3.46Å; N331-R344 PolarHBondContact OD1-NH1 3.28Å; N333-R344 PolarHBondContact O-NH1 3.03Å; T340-R344 HydrophobicContact CG2-CG 4.3Å; T340-R344 VanDerWaalsContact O-CG 3.28Å; T340-R344 WeakPolarHBondContact O-CG 3.42Å; T340-R344 PolarHBondContact O-N 3.08Å; Y341-R344 PolarHBondContact O-N 3.04Å; Y341-R344 VanDerWaalsContact O-N 3.12Å; V342-R344 PolarHBondContact O-N 3.27Å; R344-G346 VanDerWaalsContact C-N 3.35Å; R344-G346 PolarHBondContact O-N 2.88Å; R344-R347 WeakPolarHBondContact O-CB 3.4Å; R344-R347 VanDerWaalsContact O-CG 3.24Å; R344-R347 WeakPolarHBondContact O-CG 3.36Å; R344-R347 PolarHBondContact O-N 2.89Å |
| 345 | V | 87.7 | Confident | 81.2 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -75.1 | -25.8 | -174.2 | -53.6 | 0 | 0 | 0 | 0 | 112.8 | T224 L228 V329 Y341 R347 S348 A357 | T224-V345 HydrophobicContact CG2-CG2 3.84Å; L228-V345 HydrophobicContact CD2-CB 3.8Å; L228-V345 HydrophobicContact CD2-CG2 3.61Å; V329-V345 HydrophobicContact CG1-CG1 4.48Å; Y341-V345 HydrophobicContact CD1-CG1 4.45Å; Y341-V345 HydrophobicContact CD1-CG2 4.26Å; Y341-V345 HydrophobicContact CD2-CG1 4.06Å; Y341-V345 HydrophobicContact CE1-CG1 4.09Å; Y341-V345 HydrophobicContact CE1-CG2 3.92Å; Y341-V345 HydrophobicContact CE2-CG1 3.66Å; Y341-V345 HydrophobicContact CG-CG1 4.44Å; Y341-V345 WeakPolarHBondContact O-CG2 3.32Å; Y341-V345 PolarHBondContact O-N 3.08Å; V345-R347 PolarHBondContact O-N 3.46Å; V345-S348 PolarHBondContact O-N 2.95Å; V345-A357 HydrophobicContact CB-CB 3.75Å; V345-A357 HydrophobicContact CG1-CB 3.55Å |
| 346 | G | 80.8 | Confident | 81.2 | Confident | 12 Ų | 12 | 43.1 Ų | 43.1 | 12% | 0.124 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | 1.9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | V342 R344 S348 R350 | V342-G346 PolarHBondContact O-N 3.42Å; R344-G346 VanDerWaalsContact C-N 3.35Å; R344-G346 PolarHBondContact O-N 2.88Å; G346-S348 VanDerWaalsContact C-N 3.34Å; G346-R350 PolarHBondContact O-NE 3.41Å |
| 347 | R | 80.3 | Confident | 81.5 | Confident | 16 Ų | 16 | 39.3 Ų | 39.3 | 6% | 0.06 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -19.5 | 167.1 | -55 | -61.6 | 138.4 | 169.8 | -1.3 | 112.3 | L261 F263 L321 L323 V326 V329 H343 R344 V345 | L261-R347 HydrophobicContact CD2-CB 4.02Å; L261-R347 HydrophobicContact CD2-CG 4.08Å; F263-R347 HydrophobicContact CZ-CG 4.31Å; L321-R347 PolarHBondContact O-NH1 3.36Å; L323-R347 HydrophobicContact CD1-CG 4.04Å; V326-R347 HydrophobicContact CG2-CB 4.21Å; V329-R347 HydrophobicContact CG2-CB 4.03Å; H343-R347 PolarHBondContact O-NE 2.91Å; H343-R347 VanDerWaalsContact O-NE 3.13Å; R344-R347 WeakPolarHBondContact O-CB 3.4Å; R344-R347 VanDerWaalsContact O-CG 3.24Å; R344-R347 WeakPolarHBondContact O-CG 3.36Å; R344-R347 PolarHBondContact O-N 2.89Å; V345-R347 PolarHBondContact O-N 3.46Å |
| 348 | S | 81.5 | Confident | 82 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -100.5 | 170.2 | 171.3 | -160.7 | 0 | 0 | 0 | 0 | 111.3 | V326 V345 G346 R350 G355 K356 | V326-S348 WeakPolarHBondContact O-CA 3.12Å; V326-S348 WeakPolarHBondContact O-CB 3.13Å; V326-S348 PolarHBondContact O-OG 2.95Å; V345-S348 PolarHBondContact O-N 2.95Å; G346-S348 VanDerWaalsContact C-N 3.34Å; S348-R350 PolarHBondContact O-N 3.3Å; S348-G355 WeakPolarHBondContact OG-CA 3.47Å; S348-K356 PolarHBondContact OG-N 3.41Å |
| 349 | A | 73.9 | Confident | 82.5 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 20% | 0.198 | C | C | . | . | S | Bend | trans | 56.8 | 46.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | V225 L228 R353 | V225-A349 HydrophobicContact CB-CB 4.48Å; L228-A349 HydrophobicContact CB-CB 3.67Å; L228-A349 HydrophobicContact CD1-CB 3.76Å; L228-A349 HydrophobicContact CG-CB 4.31Å; A349-R353 CarbonylContact C-O 3.55Å; A349-R353 VanDerWaalsContact CA-O 3.3Å; A349-R353 WeakPolarHBondContact CA-O 3.4Å |
| 350 | R | 70.1 | Confident | 83.4 | Confident | 34 Ų | 34 | 31.9 Ų | 31.9 | 13% | 0.128 | 19% | 0.19 | C | C | . | . | trans | -92.1 | 154.2 | 178 | -64.6 | -178.8 | 172.5 | -170.5 | -4.2 | 112.7 | D322 F325 G346 S348 G352 R353 | D322-R350 IonicContact OD1-CZ 3.27Å; D322-R350 IonicContact OD1-NH1 3.58Å; D322-R350 PolarHBondContact OD1-NH1 3.39Å; F325-R350 HydrophobicContact CD2-CB 4.22Å; G346-R350 PolarHBondContact O-NE 3.41Å; S348-R350 PolarHBondContact O-N 3.3Å; R350-G352 VanDerWaalsContact C-N 3.31Å; R350-G352 PolarHBondContact O-N 3.03Å; R350-R353 PolarHBondContact O-N 2.89Å; R350-R353 VanDerWaalsContact O-N 3.15Å | ||
| 351 | A | 63.2 | Low | 83.9 | Confident | 108 Ų | 108 | 31.4 Ų | 31.4 | 89% | 0.893 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.8 | 43.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | R353 | A351-R353 PolarHBondContact O-N 2.99Š|
| 352 | G | 64.9 | Low | 84.2 | Confident | 61 Ų | 61 | 31.8 Ų | 31.8 | 63% | 0.629 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 75.6 | -3.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | R350 | R350-G352 VanDerWaalsContact C-N 3.31Å; R350-G352 PolarHBondContact O-N 3.03Å |
| 353 | R | 71.7 | Confident | 84.6 | Confident | 154 Ų | 154 | 36 Ų | 36 | 58% | 0.581 | 21% | 0.208 | S | C | * | . | trans | -75.2 | 146.4 | 176.4 | -68 | -174.6 | 176.7 | -176.9 | -0.7 | 111.2 | T227 F325 A349 R350 A351 | T227-R353 WeakPolarHBondContact CB-O 3.38Å; T227-R353 PolarHBondContact OG1-O 2.92Å; F325-R353 HydrophobicContact CD2-CB 4.45Å; F325-R353 HydrophobicContact CE2-CB 3.57Å; F325-R353 HydrophobicContact CZ-CB 3.63Å; A349-R353 CarbonylContact C-O 3.55Å; A349-R353 VanDerWaalsContact CA-O 3.3Å; A349-R353 WeakPolarHBondContact CA-O 3.4Å; R350-R353 PolarHBondContact O-N 2.89Å; R350-R353 VanDerWaalsContact O-N 3.15Å; A351-R353 PolarHBondContact O-N 2.99Å | ||
| 354 | P | 82.5 | Confident | 85.3 | Confident | 105 Ų | 105 | 41 Ų | 41 | 68% | 0.682 | 23% | 0.229 | S | C | * | . | trans | -68.3 | 143 | 171.6 | 30 | -34.2 | 0 | 0 | 0 | 110.2 | T227 F325 | T227-P354 WeakPolarHBondContact O-CA 3.3Å; F325-P354 WeakPolarHBondContact CZ-O 3.46Å | ||
| 355 | G | 87.7 | Confident | 85.7 | Confident | 3 Ų | 3 | 42.2 Ų | 42.2 | 3% | 0.031 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 165.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | T227 E229 S348 | T227-G355 PolarHBondContact O-N 3.27Å; T227-G355 VanDerWaalsContact O-N 3.1Å; E229-G355 PolarHBondContact N-O 3.31Å; S348-G355 WeakPolarHBondContact OG-CA 3.47Å |
| 356 | K | 93.2 | Very high | 85.9 | Confident | 90 Ų | 90 | 46.8 Ų | 46.8 | 39% | 0.391 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 140.9 | -177.7 | -57.2 | -168.2 | -177.3 | -175.9 | 0 | 111.5 | E229 F251 D327 L328 V329 S348 | E229-K356 HydrophobicContact CB-CG 4.3Å; E229-K356 CarbonylContact O-C 3.58Å; E229-K356 WeakPolarHBondContact O-CA 3.44Å; E229-K356 WeakPolarHBondContact OE2-CD 3.11Å; E229-K356 WeakPolarHBondContact OE2-CE 3.39Å; E229-K356 IonicContact OE2-NZ 3.48Å; F251-K356 HydrophobicContact CE2-CD 3.95Å; D327-K356 PolarHBondContact O-N 2.81Å; L328-K356 WeakPolarHBondContact CA-O 3.27Å; L328-K356 HydrophobicContact CD1-CB 3.87Å; V329-K356 PolarHBondContact N-O 3.41Å; S348-K356 PolarHBondContact OG-N 3.41Å |
| 357 | A | 94.7 | Very high | 86.5 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 127.5 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | L228 E229 R231 V329 V345 | L228-A357 HydrophobicContact CD1-CB 4.2Å; E229-A357 PolarHBondContact O-N 3.21Å; R231-A357 PolarHBondContact N-O 3.11Å; V329-A357 HydrophobicContact CB-CB 4.41Å; V329-A357 CarbonylContact O-C 3.44Å; V329-A357 VanDerWaalsContact O-CA 3.28Å; V329-A357 WeakPolarHBondContact O-CA 3.48Å; V345-A357 HydrophobicContact CB-CB 3.75Å; V345-A357 HydrophobicContact CG1-CB 3.55Å |
| 358 | V | 97.4 | Very high | 87.2 | Confident | 13 Ų | 13 | 51.8 Ų | 51.8 | 8% | 0.079 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 123 | 178.4 | 180 | 0 | 0 | 0 | 0 | 109.8 | R231 V233 L328 V329 I330 N331 F360 L383 | R231-V358 CarbonylContact O-C 3.25Å; R231-V358 WeakPolarHBondContact O-CA 3.31Å; V233-V358 HydrophobicContact CG2-CG1 3.63Å; L328-V358 HydrophobicContact CD1-CB 4.27Å; L328-V358 HydrophobicContact CD1-CG2 3.77Å; V329-V358 PolarHBondContact O-N 2.93Å; I330-V358 CarbonylContact C-O 3.59Å; I330-V358 VanDerWaalsContact CA-O 3.29Å; I330-V358 WeakPolarHBondContact CA-O 3.33Å; N331-V358 PolarHBondContact N-O 3.48Å; V358-F360 HydrophobicContact CG1-CD2 4.45Å; V358-F360 HydrophobicContact CG1-CE2 3.92Å; V358-F360 HydrophobicContact CG1-CZ 4.27Å; V358-L383 HydrophobicContact CG1-CD2 4.2Å; V358-L383 HydrophobicContact CG2-CD2 4.01Å |
| 359 | T | 97.9 | Very high | 87.8 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 122.1 | 178.7 | -57.6 | 0 | 0 | 0 | 0 | 111 | R231 Y232 V233 N331 I334 Y341 V361 | R231-T359 PolarHBondContact O-N 2.95Å; Y232-T359 CarbonylContact C-O 3.58Å; Y232-T359 WeakPolarHBondContact CA-O 3.42Å; Y232-T359 WeakPolarHBondContact CB-O 3.48Å; V233-T359 PolarHBondContact N-O 3.05Å; N331-T359 HydrophobicContact CB-CG2 3.85Å; N331-T359 PolarHBondContact ND2-OG1 3.25Å; I334-T359 HydrophobicContact CB-CG2 4.21Å; I334-T359 HydrophobicContact CD1-CG2 4.38Å; I334-T359 HydrophobicContact CG1-CG2 4.13Å; Y341-T359 WeakPolarHBondContact CE2-OG1 3.43Å; T359-V361 HydrophobicContact CG2-CG2 4.01Å |
| 360 | F | 98.2 | Very high | 88.8 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 127.5 | 175.3 | -72.5 | -93.2 | 0 | 0 | 0 | 109.8 | V233 K240 V244 A247 I330 N331 V358 | V233-F360 HydrophobicContact CB-CD1 3.77Å; V233-F360 HydrophobicContact CB-CE1 3.71Å; V233-F360 HydrophobicContact CB-CG 4.46Å; V233-F360 HydrophobicContact CB-CZ 4.38Å; V233-F360 HydrophobicContact CG1-CD1 3.9Å; V233-F360 HydrophobicContact CG1-CE1 3.72Å; V233-F360 HydrophobicContact CG2-CD1 4.45Å; V233-F360 HydrophobicContact CG2-CE1 3.95Å; V233-F360 HydrophobicContact CG2-CZ 4.18Å; K240-F360 HydrophobicContact CD-CB 4.19Å; K240-F360 HydrophobicContact CG-CB 4.34Å; V244-F360 HydrophobicContact CB-CE2 4.32Å; V244-F360 HydrophobicContact CB-CZ 4.24Å; V244-F360 HydrophobicContact CG1-CE2 4.32Å; V244-F360 HydrophobicContact CG2-CD1 3.79Å; V244-F360 HydrophobicContact CG2-CD2 3.72Å; V244-F360 HydrophobicContact CG2-CE1 3.89Å; V244-F360 HydrophobicContact CG2-CE2 3.81Å; V244-F360 HydrophobicContact CG2-CG 3.71Å; V244-F360 HydrophobicContact CG2-CZ 3.89Å; A247-F360 HydrophobicContact CB-CZ 3.73Å; I330-F360 HydrophobicContact CG2-CD2 3.66Å; I330-F360 HydrophobicContact CG2-CE2 3.55Å; N331-F360 PolarHBondContact O-N 3.24Å; V358-F360 HydrophobicContact CG1-CD2 4.45Å; V358-F360 HydrophobicContact CG1-CE2 3.92Å; V358-F360 HydrophobicContact CG1-CZ 4.27Å |
| 361 | V | 97.2 | Very high | 89.9 | Confident | 6 Ų | 6 | 57.4 Ų | 57.4 | 4% | 0.036 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 137.5 | -170.6 | 180 | 0 | 0 | 0 | 0 | 107.9 | Y232 V233 L234 C235 I334 T359 D365 V369 | Y232-V361 HydrophobicContact CD2-CG2 4.43Å; V233-V361 PolarHBondContact O-N 2.82Å; L234-V361 WeakPolarHBondContact CA-O 3.44Å; C235-V361 PolarHBondContact N-O 2.83Å; I334-V361 HydrophobicContact CD1-CG2 4.44Å; T359-V361 HydrophobicContact CG2-CG2 4.01Å; V361-D365 HydrophobicContact CG1-CB 3.73Å; V361-V369 HydrophobicContact CB-CG2 4.47Å; V361-V369 HydrophobicContact CG1-CG2 3.7Å; V361-V369 HydrophobicContact CG2-CG2 3.8Å |
| 362 | T | 95.7 | Very high | 91.3 | Very high | 8 Ų | 8 | 52.3 Ų | 52.3 | 5% | 0.049 | 29% | 0.287 | C | S | . | . | trans | -110.5 | 174.3 | 170.3 | 69.7 | 0 | 0 | 0 | 0 | 109.8 | K237 K240 F364 D365 | K237-T362 HydrophobicContact CB-CG2 4.03Å; K240-T362 HydrophobicContact CD-CG2 4.3Å; T362-F364 PolarHBondContact O-N 2.93Å; T362-F364 PolarHBondContact OG1-N 2.8Å; T362-D365 WeakPolarHBondContact CB-OD2 3.47Å; T362-D365 PolarHBondContact N-OD2 3.01Å; T362-D365 PolarHBondContact O-N 3.46Å; T362-D365 PolarHBondContact OG1-OD2 2.76Å | ||
| 363 | Q | 91.5 | Very high | 92.6 | Very high | 111 Ų | 111 | 50.5 Ų | 50.5 | 52% | 0.519 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -16.7 | 177.1 | 69.5 | -96.2 | 28.9 | 0 | 0 | 114.2 | ||
| 364 | F | 93.8 | Very high | 93.5 | Very high | 135 Ų | 135 | 49.5 Ų | 49.5 | 59% | 0.592 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | -6.5 | -178.9 | -54.4 | -68.9 | 0 | 0 | 0 | 113.7 | K237 T362 | K237-F364 HydrophobicContact CD-CD2 4.28Å; K237-F364 HydrophobicContact CD-CE2 3.99Å; T362-F364 PolarHBondContact O-N 2.93Å; T362-F364 PolarHBondContact OG1-N 2.8Å |
| 365 | D | 95.5 | Very high | 93.6 | Very high | 30 Ų | 30 | 47.7 Ų | 47.7 | 16% | 0.16 | 26% | 0.256 | C | S | . | . | trans | -102.9 | 1 | -169.2 | -64 | -50.4 | 0 | 0 | 0 | 113.1 | I334 V361 T362 A367 L368 V369 | I334-D365 HydrophobicContact CD1-CB 4.47Å; I334-D365 HydrophobicContact CG2-CB 3.88Å; I334-D365 WeakPolarHBondContact CG2-OD1 3.4Å; V361-D365 HydrophobicContact CG1-CB 3.73Å; T362-D365 WeakPolarHBondContact CB-OD2 3.47Å; T362-D365 PolarHBondContact N-OD2 3.01Å; T362-D365 PolarHBondContact O-N 3.46Å; T362-D365 PolarHBondContact OG1-OD2 2.76Å; D365-A367 PolarHBondContact O-N 2.99Å; D365-L368 WeakPolarHBondContact O-CB 3.47Å; D365-L368 PolarHBondContact O-N 2.97Å; D365-V369 PolarHBondContact O-N 2.8Å | ||
| 366 | I | 91.5 | Very high | 93.4 | Very high | 96 Ų | 96 | 47.8 Ų | 47.8 | 49% | 0.492 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -55.3 | -46.1 | -171.7 | -60.2 | 173 | 0 | 0 | 0 | 112.4 | L368 V369 H370 | I366-L368 VanDerWaalsContact C-N 3.28Å; I366-L368 PolarHBondContact O-N 2.88Å; I366-V369 WeakPolarHBondContact O-CB 3.49Å; I366-V369 PolarHBondContact O-N 3.46Å; I366-V369 VanDerWaalsContact O-N 3.17Å; I366-H370 PolarHBondContact O-N 2.72Å |
| 367 | A | 93.8 | Very high | 93 | Very high | 76 Ų | 76 | 46.8 Ų | 46.8 | 63% | 0.628 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -63.4 | -35.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | D365 A371 | D365-A367 PolarHBondContact O-N 2.99Å; A367-A371 PolarHBondContact O-N 3.02Å; A367-A371 VanDerWaalsContact O-N 3.1Å |
| 368 | L | 95.2 | Very high | 92.6 | Very high | 58 Ų | 58 | 49.6 Ų | 49.6 | 30% | 0.304 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -71.7 | -33.9 | 177 | -64.3 | 176.1 | 0 | 0 | 0 | 111.3 | I334 D365 I366 I372 | I334-L368 HydrophobicContact CD1-CB 3.72Å; I334-L368 HydrophobicContact CG1-CB 4Å; I334-L368 HydrophobicContact CG2-CB 3.99Å; I334-L368 HydrophobicContact CG2-CD1 3.51Å; I334-L368 HydrophobicContact CG2-CG 4.4Å; D365-L368 WeakPolarHBondContact O-CB 3.47Å; D365-L368 PolarHBondContact O-N 2.97Å; I366-L368 VanDerWaalsContact C-N 3.28Å; I366-L368 PolarHBondContact O-N 2.88Å; L368-I372 WeakPolarHBondContact O-CD1 3.48Å; L368-I372 VanDerWaalsContact O-CG1 3.31Å; L368-I372 WeakPolarHBondContact O-CG1 3.32Å; L368-I372 PolarHBondContact O-N 2.96Å; L368-I372 VanDerWaalsContact O-N 3.13Å |
| 369 | V | 94.8 | Very high | 92.3 | Very high | 14 Ų | 14 | 57.2 Ų | 57.2 | 9% | 0.085 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62.2 | -51.8 | 172.9 | 176.3 | 0 | 0 | 0 | 0 | 110.2 | I334 V361 D365 I366 A371 I372 E373 | I334-V369 HydrophobicContact CD1-CB 4.21Å; I334-V369 HydrophobicContact CD1-CG2 3.38Å; V361-V369 HydrophobicContact CB-CG2 4.47Å; V361-V369 HydrophobicContact CG1-CG2 3.7Å; V361-V369 HydrophobicContact CG2-CG2 3.8Å; D365-V369 PolarHBondContact O-N 2.8Å; I366-V369 WeakPolarHBondContact O-CB 3.49Å; I366-V369 PolarHBondContact O-N 3.46Å; I366-V369 VanDerWaalsContact O-N 3.17Å; V369-A371 PolarHBondContact O-N 3.01Å; V369-I372 WeakPolarHBondContact O-CB 3.43Å; V369-I372 PolarHBondContact O-N 3.27Å; V369-I372 VanDerWaalsContact O-N 3.1Å; V369-E373 HydrophobicContact CG1-CG 4.2Å; V369-E373 WeakPolarHBondContact O-CG 3.37Å; V369-E373 PolarHBondContact O-N 2.96Å |
| 370 | H | 93.7 | Very high | 92.1 | Very high | 101 Ų | 101 | 57.7 Ų | 57.7 | 47% | 0.468 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -60.3 | -43.9 | -179.7 | -66.7 | 168.8 | 0 | 0 | 0 | 112.1 | I366 I372 E373 D374 | I366-H370 PolarHBondContact O-N 2.72Å; H370-I372 PolarHBondContact O-N 3.39Å; H370-E373 IonicContact CD2-OE2 3.64Å; H370-E373 PolarHBondContact O-N 3.29Å; H370-E373 VanDerWaalsContact O-N 3.12Å; H370-D374 WeakPolarHBondContact O-CB 3.22Å; H370-D374 VanDerWaalsContact O-CG 3.22Å; H370-D374 PolarHBondContact O-N 3.49Å |
| 371 | A | 93.4 | Very high | 91.9 | Very high | 36 Ų | 36 | 65.1 Ų | 65.1 | 30% | 0.298 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -59.5 | -35.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | P338 A367 V369 T375 | P338-A371 HydrophobicContact CG-CB 3.91Å; P338-A371 WeakPolarHBondContact CG-O 3.44Å; A367-A371 PolarHBondContact O-N 3.02Å; A367-A371 VanDerWaalsContact O-N 3.1Å; V369-A371 PolarHBondContact O-N 3.01Å; A371-T375 PolarHBondContact O-N 2.84Å; A371-T375 PolarHBondContact O-OG1 2.98Å |
| 372 | I | 92.3 | Very high | 91.9 | Very high | 1 Ų | 1 | 68.4 Ų | 68.4 | 1% | 0.005 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -67.4 | -50.5 | 173.3 | -73.1 | 165.6 | 0 | 0 | 0 | 110.6 | I334 P335 P338 Y341 L368 V369 H370 D374 T375 I376 | I334-I372 HydrophobicContact CD1-CD1 3.89Å; I334-I372 HydrophobicContact CG1-CD1 3.57Å; P335-I372 HydrophobicContact CG-CD1 4Å; P338-I372 HydrophobicContact CB-CG1 4.31Å; P338-I372 HydrophobicContact CG-CG1 4.44Å; Y341-I372 HydrophobicContact CD1-CG2 3.45Å; Y341-I372 VanDerWaalsContact CD1-CG2 3.45Å; Y341-I372 HydrophobicContact CD2-CD1 3.88Å; Y341-I372 HydrophobicContact CD2-CG2 3.97Å; Y341-I372 HydrophobicContact CE1-CG2 3.7Å; Y341-I372 HydrophobicContact CE2-CG2 4.17Å; Y341-I372 HydrophobicContact CG-CD1 4.01Å; Y341-I372 HydrophobicContact CG-CG1 4.17Å; Y341-I372 HydrophobicContact CG-CG2 3.6Å; L368-I372 WeakPolarHBondContact O-CD1 3.48Å; L368-I372 VanDerWaalsContact O-CG1 3.31Å; L368-I372 WeakPolarHBondContact O-CG1 3.32Å; L368-I372 PolarHBondContact O-N 2.96Å; L368-I372 VanDerWaalsContact O-N 3.13Å; V369-I372 WeakPolarHBondContact O-CB 3.43Å; V369-I372 PolarHBondContact O-N 3.27Å; V369-I372 VanDerWaalsContact O-N 3.1Å; H370-I372 PolarHBondContact O-N 3.39Å; I372-D374 VanDerWaalsContact C-N 3.31Å; I372-D374 PolarHBondContact O-N 3.5Å; I372-T375 PolarHBondContact O-N 3.45Å; I372-T375 VanDerWaalsContact O-N 3.09Å; I372-I376 HydrophobicContact CG2-CD1 4.2Å; I372-I376 HydrophobicContact CG2-CG2 4.43Å; I372-I376 WeakPolarHBondContact O-CG1 3.46Å; I372-I376 PolarHBondContact O-N 3.01Å |
| 373 | E | 93.4 | Very high | 91.9 | Very high | 23 Ų | 23 | 70 Ų | 70 | 11% | 0.107 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -57.2 | -42.8 | -179.8 | -69.8 | -176.2 | 149.7 | 0 | 0 | 112.1 | V369 H370 T375 I376 G377 C378 K379 L380 | V369-E373 HydrophobicContact CG1-CG 4.2Å; V369-E373 WeakPolarHBondContact O-CG 3.37Å; V369-E373 PolarHBondContact O-N 2.96Å; H370-E373 IonicContact CD2-OE2 3.64Å; H370-E373 PolarHBondContact O-N 3.29Å; H370-E373 VanDerWaalsContact O-N 3.12Å; E373-T375 VanDerWaalsContact C-N 3.31Å; E373-T375 PolarHBondContact O-N 2.95Å; E373-I376 PolarHBondContact O-N 3.5Å; E373-G377 WeakPolarHBondContact O-CA 3.21Å; E373-G377 PolarHBondContact O-N 3.31Å; E373-C378 WeakPolarHBondContact CA-O 3.42Å; E373-C378 WeakPolarHBondContact CB-O 3.1Å; E373-C378 PolarHBondContact O-N 3.08Å; E373-K379 VanDerWaalsContact OE1-CA 3.31Å; E373-K379 WeakPolarHBondContact OE1-CA 3.41Å; E373-L380 HydrophobicContact CG-CG 4.2Å; E373-L380 PolarHBondContact OE1-N 2.76Å |
| 374 | D | 89.6 | Confident | 92 | Very high | 134 Ų | 134 | 72.5 Ų | 72.5 | 72% | 0.717 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -61.2 | -40.2 | 176 | -68.9 | -21.6 | 0 | 0 | 0 | 111.6 | H370 I372 | H370-D374 WeakPolarHBondContact O-CB 3.22Å; H370-D374 VanDerWaalsContact O-CG 3.22Å; H370-D374 PolarHBondContact O-N 3.49Å; I372-D374 VanDerWaalsContact C-N 3.31Å; I372-D374 PolarHBondContact O-N 3.5Å |
| 375 | T | 84.1 | Confident | 92.1 | Very high | 66 Ų | 66 | 67.3 Ų | 67.3 | 41% | 0.405 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -74.6 | -38.6 | -179.3 | -58.7 | 0 | 0 | 0 | 0 | 112.6 | V223 P338 A371 I372 E373 G377 | V223-T375 WeakPolarHBondContact CG2-O 3.32Å; P338-T375 HydrophobicContact CB-CG2 3.79Å; P338-T375 WeakPolarHBondContact CB-OG1 3.31Å; P338-T375 WeakPolarHBondContact CG-OG1 3.24Å; A371-T375 PolarHBondContact O-N 2.84Å; A371-T375 PolarHBondContact O-OG1 2.98Å; I372-T375 PolarHBondContact O-N 3.45Å; I372-T375 VanDerWaalsContact O-N 3.09Å; E373-T375 VanDerWaalsContact C-N 3.31Å; E373-T375 PolarHBondContact O-N 2.95Å; T375-G377 VanDerWaalsContact C-N 3.33Å |
| 376 | I | 84.4 | Confident | 92 | Very high | 6 Ų | 6 | 68.3 Ų | 68.3 | 3% | 0.031 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -84.6 | -11.1 | 179.9 | 69.4 | -179.4 | 0 | 0 | 0 | 112.7 | T224 Y341 V342 I372 E373 C378 L380 | T224-I376 HydrophobicContact CG2-CG2 4.35Å; Y341-I376 HydrophobicContact CD1-CG2 3.99Å; Y341-I376 HydrophobicContact CE1-CD1 4.08Å; Y341-I376 HydrophobicContact CE1-CG2 4.02Å; V342-I376 HydrophobicContact CG2-CG2 4.02Å; I372-I376 HydrophobicContact CG2-CD1 4.2Å; I372-I376 HydrophobicContact CG2-CG2 4.43Å; I372-I376 WeakPolarHBondContact O-CG1 3.46Å; I372-I376 PolarHBondContact O-N 3.01Å; E373-I376 PolarHBondContact O-N 3.5Å; I376-C378 VanDerWaalsContact C-N 3.31Å; I376-C378 PolarHBondContact O-N 2.58Å; I376-L380 HydrophobicContact CD1-CD2 3.82Å |
| 377 | G | 84.9 | Confident | 92 | Very high | 69 Ų | 69 | 68.8 Ų | 68.8 | 71% | 0.711 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.8 | 16.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | E373 T375 | E373-G377 WeakPolarHBondContact O-CA 3.21Å; E373-G377 PolarHBondContact O-N 3.31Å; T375-G377 VanDerWaalsContact C-N 3.33Å |
| 378 | C | 86.5 | Confident | 92.1 | Very high | 58 Ų | 58 | 71.6 Ų | 71.6 | 39% | 0.392 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -149.7 | 153.1 | 179.1 | 73.5 | 0 | 0 | 0 | 0 | 112.4 | E373 I376 | E373-C378 WeakPolarHBondContact CA-O 3.42Å; E373-C378 WeakPolarHBondContact CB-O 3.1Å; E373-C378 PolarHBondContact O-N 3.08Å; I376-C378 VanDerWaalsContact C-N 3.31Å; I376-C378 PolarHBondContact O-N 2.58Å |
| 379 | K | 91.4 | Very high | 92.1 | Very high | 173 Ų | 173 | 74 Ų | 74 | 75% | 0.752 | 39% | 0.387 | S | S | * | . | P | Polyproline II helix | trans | -81.6 | 135.2 | 175.7 | -66.5 | -165.9 | 175.3 | -170.5 | 0 | 111.5 | E373 | E373-K379 VanDerWaalsContact OE1-CA 3.31Å; E373-K379 WeakPolarHBondContact OE1-CA 3.41Å |
| 380 | L | 93.2 | Very high | 92.1 | Very high | 11 Ų | 11 | 73.3 Ų | 73.3 | 6% | 0.058 | 38% | 0.384 | C | S | . | . | P | Polyproline II helix | trans | -70.8 | 136.6 | 173.7 | -61.4 | -179 | 0 | 0 | 0 | 109.4 | Q230 Y232 Y341 E373 I376 | Q230-L380 HydrophobicContact CB-CD2 3.71Å; Y232-L380 HydrophobicContact CD1-CB 3.76Å; Y232-L380 WeakPolarHBondContact CE1-O 3.23Å; Y341-L380 WeakPolarHBondContact OH-CD2 3.34Å; E373-L380 HydrophobicContact CG-CG 4.2Å; E373-L380 PolarHBondContact OE1-N 2.76Å; I376-L380 HydrophobicContact CD1-CD2 3.82Å |
| 381 | K | 94 | Very high | 92.2 | Very high | 155 Ų | 155 | 71.7 Ų | 71.7 | 67% | 0.674 | 38% | 0.383 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 137.9 | 176.3 | -67 | -178.8 | -178.3 | 176.4 | 0 | 110.3 | R231 Y232 L383 | R231-K381 CarbonylContact C-O 3.54Å; R231-K381 WeakPolarHBondContact CA-O 3.35Å; R231-K381 VanDerWaalsContact CB-O 3.24Å; R231-K381 WeakPolarHBondContact CB-O 3.46Å; Y232-K381 PolarHBondContact N-O 3.01Å; K381-L383 PolarHBondContact O-N 3.44Å |
| 382 | E | 96.3 | Very high | 92.2 | Very high | 75 Ų | 75 | 76 Ų | 76 | 35% | 0.35 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 131.2 | 175.4 | -166 | -175.1 | 179.2 | 0 | 0 | 110.7 | Y232 K384 | Y232-E382 HydrophobicContact CD2-CG 4.43Å; Y232-E382 HydrophobicContact CE1-CB 3.87Å; Y232-E382 HydrophobicContact CE1-CG 4.49Å; Y232-E382 HydrophobicContact CE2-CB 4.07Å; Y232-E382 HydrophobicContact CE2-CG 3.78Å; Y232-E382 CarbonylContact O-C 3.56Å; Y232-E382 WeakPolarHBondContact O-CA 3.37Å; E382-K384 HydrophobicContact CG-CG 4.1Å; E382-K384 WeakPolarHBondContact OE2-CE 3.39Å; E382-K384 IonicContact OE2-NZ 4Å |
| 383 | L | 95.9 | Very high | 92.3 | Very high | 42 Ų | 42 | 77.9 Ų | 77.9 | 22% | 0.22 | 41% | 0.405 | C | S | . | . | trans | -97.3 | 96.4 | 164.4 | 179 | 62.5 | 0 | 0 | 0 | 108.3 | R231 Y232 V233 V358 K381 L385 | R231-L383 HydrophobicContact CB-CB 3.94Å; R231-L383 HydrophobicContact CG-CB 4.49Å; Y232-L383 PolarHBondContact O-N 3.27Å; V233-L383 HydrophobicContact CG2-CB 3.94Å; V233-L383 HydrophobicContact CG2-CD2 4.06Å; V233-L383 HydrophobicContact CG2-CG 4.21Å; V358-L383 HydrophobicContact CG1-CD2 4.2Å; V358-L383 HydrophobicContact CG2-CD2 4.01Å; K381-L383 PolarHBondContact O-N 3.44Å; L383-L385 HydrophobicContact CD2-CD2 4.26Å; L383-L385 HydrophobicContact CG-CD2 4.13Å; L383-L385 PolarHBondContact O-N 2.93Å | ||
| 384 | K | 94.4 | Very high | 92.5 | Very high | 164 Ų | 164 | 78.2 Ų | 78.2 | 71% | 0.713 | 41% | 0.408 | S | S | * | . | trans | -69.9 | 115.7 | 174.7 | -67.3 | -169.3 | 175.3 | -173.1 | 0 | 110.5 | E382 | E382-K384 HydrophobicContact CG-CG 4.1Å; E382-K384 WeakPolarHBondContact OE2-CE 3.39Å; E382-K384 IonicContact OE2-NZ 4Å | ||
| 385 | L | 94.6 | Very high | 92.8 | Very high | 25 Ų | 25 | 76.8 Ų | 76.8 | 13% | 0.131 | 40% | 0.404 | C | S | . | . | trans | -96.3 | 148.3 | 167.9 | -60.3 | -179 | 0 | 0 | 0 | 108.7 | V233 Y243 Y246 A247 L250 L383 D387 V390 | V233-L385 HydrophobicContact CG1-CD1 4Å; V233-L385 HydrophobicContact CG1-CG 4.35Å; V233-L385 HydrophobicContact CG2-CD1 4.02Å; V233-L385 HydrophobicContact CG2-CG 4.27Å; Y243-L385 HydrophobicContact CD1-CB 4.36Å; Y243-L385 HydrophobicContact CD1-CD1 4.28Å; Y246-L385 HydrophobicContact CD1-CB 4.37Å; Y246-L385 HydrophobicContact CD1-CD1 4.27Å; Y246-L385 HydrophobicContact CD1-CD2 4.49Å; Y246-L385 HydrophobicContact CE1-CB 4.36Å; Y246-L385 HydrophobicContact CE1-CD2 4.36Å; A247-L385 HydrophobicContact CB-CD1 4.06Å; L250-L385 HydrophobicContact CD1-CD2 4.27Å; L383-L385 HydrophobicContact CD2-CD2 4.26Å; L383-L385 HydrophobicContact CG-CD2 4.13Å; L383-L385 PolarHBondContact O-N 2.93Å; L385-D387 PolarHBondContact O-N 3.46Å; L385-V390 HydrophobicContact CB-CG2 4.42Å | ||
| 386 | S | 93.7 | Very high | 93.5 | Very high | 52 Ų | 52 | 78.8 Ų | 78.8 | 36% | 0.364 | 41% | 0.409 | S | S | . | . | trans | -76.7 | 112.5 | -180 | 171.8 | 0 | 0 | 0 | 0 | 109.9 | H388 K389 V390 | S386-H388 PolarHBondContact O-N 3.17Å; S386-K389 PolarHBondContact O-N 3.02Å; S386-K389 PolarHBondContact OG-N 3.36Å; S386-V390 WeakPolarHBondContact O-CG2 3.39Å; S386-V390 PolarHBondContact O-N 3.28Å | ||
| 387 | D | 93.1 | Very high | 94.1 | Very high | 105 Ų | 105 | 78.6 Ų | 78.6 | 56% | 0.561 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -55.3 | -38.5 | 177.2 | -62.6 | -22.4 | 0 | 0 | 0 | 111.9 | Y243 L385 K389 V390 S391 | Y243-D387 PolarHBondContact OH-OD1 3.02Å; L385-D387 PolarHBondContact O-N 3.46Å; D387-K389 VanDerWaalsContact C-N 3.33Å; D387-K389 PolarHBondContact O-N 3.1Å; D387-V390 PolarHBondContact O-N 3.26Å; D387-S391 WeakPolarHBondContact O-CB 3.34Å; D387-S391 PolarHBondContact O-N 3.1Å |
| 388 | H | 94.3 | Very high | 94.7 | Very high | 135 Ų | 135 | 79.2 Ų | 79.2 | 63% | 0.625 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -62 | -36.3 | 174.8 | 179 | -75.2 | 0 | 0 | 0 | 113 | S386 S391 | S386-H388 PolarHBondContact O-N 3.17Å; H388-S391 PolarHBondContact O-OG 3.13Å |
| 389 | K | 95.1 | Very high | 95.2 | Very high | 108 Ų | 108 | 80 Ų | 80 | 47% | 0.47 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -78.1 | -34.6 | 176.8 | -68 | -174.7 | 176.8 | -174.9 | 0 | 111.4 | Y246 S386 D387 Y393 | Y246-K389 HydrophobicContact CE1-CB 4.27Å; Y246-K389 HydrophobicContact CE2-CB 3.85Å; Y246-K389 WeakPolarHBondContact OH-CB 3.38Å; Y246-K389 WeakPolarHBondContact OH-CD 3.43Å; S386-K389 PolarHBondContact O-N 3.02Å; S386-K389 PolarHBondContact OG-N 3.36Å; D387-K389 VanDerWaalsContact C-N 3.33Å; D387-K389 PolarHBondContact O-N 3.1Å; K389-Y393 WeakPolarHBondContact O-CD2 3.32Å; K389-Y393 WeakPolarHBondContact O-CE2 3.38Å |
| 390 | V | 95.8 | Very high | 95.6 | Very high | 1 Ų | 1 | 71.8 Ų | 71.8 | 1% | 0.006 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -67.3 | -38.9 | 175.8 | 177.7 | 0 | 0 | 0 | 0 | 111 | A242 Y243 Y246 L385 S386 D387 Q392 Y393 V394 | A242-V390 HydrophobicContact CB-CG1 3.96Å; Y243-V390 HydrophobicContact CD1-CG1 4.38Å; Y243-V390 HydrophobicContact CD1-CG2 4Å; Y243-V390 HydrophobicContact CD2-CG1 3.59Å; Y243-V390 HydrophobicContact CE1-CG2 4.12Å; Y243-V390 HydrophobicContact CE2-CB 4.44Å; Y243-V390 HydrophobicContact CE2-CG1 3.73Å; Y243-V390 HydrophobicContact CG-CG1 3.92Å; Y243-V390 HydrophobicContact CG-CG2 4.27Å; Y246-V390 HydrophobicContact CD1-CG2 3.46Å; Y246-V390 VanDerWaalsContact CD1-CG2 3.46Å; Y246-V390 HydrophobicContact CE1-CG2 4.1Å; Y246-V390 HydrophobicContact CG-CG2 3.88Å; L385-V390 HydrophobicContact CB-CG2 4.42Å; S386-V390 WeakPolarHBondContact O-CG2 3.39Å; S386-V390 PolarHBondContact O-N 3.28Å; D387-V390 PolarHBondContact O-N 3.26Å; V390-Q392 PolarHBondContact O-N 3.4Å; V390-Q392 VanDerWaalsContact O-N 3.12Å; V390-Y393 PolarHBondContact O-N 2.86Å; V390-V394 HydrophobicContact CG1-CG2 4.4Å; V390-V394 PolarHBondContact O-N 2.9Å |
| 391 | S | 94.8 | Very high | 95.8 | Very high | 66 Ų | 66 | 71.8 Ų | 71.8 | 46% | 0.462 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -58 | -28.4 | -178.7 | 68.2 | 0 | 0 | 0 | 0 | 113.3 | D387 H388 Y393 V394 | D387-S391 WeakPolarHBondContact O-CB 3.34Å; D387-S391 PolarHBondContact O-N 3.1Å; H388-S391 PolarHBondContact O-OG 3.13Å; S391-Y393 PolarHBondContact O-N 3.12Å; S391-V394 PolarHBondContact O-N 3.09Å |
| 392 | Q | 95 | Very high | 95.9 | Very high | 126 Ų | 126 | 73.3 Ų | 73.3 | 59% | 0.589 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -63.1 | -24 | 174.9 | -62.7 | 179.6 | -33.9 | 0 | 0 | 113.3 | V390 | V390-Q392 PolarHBondContact O-N 3.4Å; V390-Q392 VanDerWaalsContact O-N 3.12Å |
| 393 | Y | 94.2 | Very high | 96 | Very high | 42 Ų | 42 | 74.7 Ų | 74.7 | 17% | 0.165 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -102.2 | -12.9 | -179.7 | -60.4 | -80.9 | 0 | 0 | 0 | 112.9 | Y246 K249 K389 V390 S391 T395 E396 V397 | Y246-Y393 AromaticContact CD2-CD2 3.95Å; Y246-Y393 HydrophobicContact CD2-CD2 3.95Å; Y246-Y393 AromaticContact CD2-CE2 3.61Å; Y246-Y393 HydrophobicContact CD2-CE2 3.61Å; Y246-Y393 HydrophobicContact CE2-CE2 4.09Å; K249-Y393 HydrophobicContact CD-CE1 3.95Å; K249-Y393 WeakPolarHBondContact CE-OH 3.46Å; K249-Y393 PolarHBondContact NZ-OH 2.61Å; K389-Y393 WeakPolarHBondContact O-CD2 3.32Å; K389-Y393 WeakPolarHBondContact O-CE2 3.38Å; V390-Y393 PolarHBondContact O-N 2.86Å; S391-Y393 PolarHBondContact O-N 3.12Å; Y393-T395 PolarHBondContact O-N 3.31Å; Y393-E396 PolarHBondContact O-N 3.43Å; Y393-V397 VanDerWaalsContact O-CB 3.3Å; Y393-V397 WeakPolarHBondContact O-CB 3.37Å; Y393-V397 WeakPolarHBondContact O-CG2 3.2Å; Y393-V397 PolarHBondContact O-N 3.39Å |
| 394 | V | 96.5 | Very high | 96 | Very high | 29 Ų | 29 | 73 Ų | 73 | 18% | 0.176 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -57.8 | -49.6 | -170.7 | 167.6 | 0 | 0 | 0 | 0 | 111.7 | V239 A242 V390 S391 L398 | V239-V394 HydrophobicContact CB-CG2 4.24Å; V239-V394 HydrophobicContact CG1-CG1 3.72Å; V239-V394 HydrophobicContact CG1-CG2 4.15Å; A242-V394 HydrophobicContact CB-CB 4.49Å; A242-V394 HydrophobicContact CB-CG2 3.84Å; V390-V394 HydrophobicContact CG1-CG2 4.4Å; V390-V394 PolarHBondContact O-N 2.9Å; S391-V394 PolarHBondContact O-N 3.09Å; V394-L398 HydrophobicContact CG1-CD1 3.69Å; V394-L398 HydrophobicContact CG1-CG 4.32Å; V394-L398 WeakPolarHBondContact O-CB 3.35Å; V394-L398 WeakPolarHBondContact O-CG 3.3Å; V394-L398 PolarHBondContact O-N 3.36Å |
| 395 | T | 97.2 | Very high | 96.2 | Very high | 104 Ų | 104 | 70.8 Ų | 70.8 | 64% | 0.638 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -62.7 | -50.1 | -178 | -55.1 | 0 | 0 | 0 | 0 | 111.6 | Y393 V397 L398 V399 | Y393-T395 PolarHBondContact O-N 3.31Å; T395-V397 PolarHBondContact O-N 3.48Å; T395-L398 PolarHBondContact O-N 3.26Å; T395-V399 WeakPolarHBondContact O-CG2 3.16Å; T395-V399 PolarHBondContact O-N 3.06Å |
| 396 | E | 97.4 | Very high | 96.2 | Very high | 109 Ų | 109 | 74 Ų | 74 | 51% | 0.509 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -59.4 | -46.8 | -179.6 | -168.3 | -172.2 | -168.7 | 0 | 0 | 111.2 | L280 Y393 L398 V399 A400 | L280-E396 HydrophobicContact CD2-CB 4.44Å; L280-E396 HydrophobicContact CD2-CG 3.58Å; Y393-E396 PolarHBondContact O-N 3.43Å; E396-L398 PolarHBondContact O-N 3.39Å; E396-V399 PolarHBondContact O-N 2.89Å; E396-A400 WeakPolarHBondContact O-CB 3.34Å; E396-A400 PolarHBondContact O-N 2.82Å |
| 397 | V | 97.9 | Very high | 96.3 | Very high | 1 Ų | 1 | 76.5 Ų | 76.5 | 1% | 0.006 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -65.2 | -41 | 179.9 | 174.2 | 0 | 0 | 0 | 0 | 111.7 | D241 A242 V245 M276 L280 Y393 T395 K401 | D241-V397 HydrophobicContact CB-CG1 3.83Å; A242-V397 HydrophobicContact CB-CB 4.17Å; A242-V397 HydrophobicContact CB-CG1 4.24Å; A242-V397 HydrophobicContact CB-CG2 4.28Å; V245-V397 HydrophobicContact CB-CG2 4.03Å; V245-V397 HydrophobicContact CG1-CG2 4.03Å; V245-V397 HydrophobicContact CG2-CG1 4.27Å; V245-V397 HydrophobicContact CG2-CG2 3.97Å; M276-V397 HydrophobicContact CE-CG1 4.31Å; M276-V397 HydrophobicContact SD-CG1 3.68Å; L280-V397 HydrophobicContact CD1-CG2 3.86Å; L280-V397 HydrophobicContact CD2-CG2 4.43Å; Y393-V397 VanDerWaalsContact O-CB 3.3Å; Y393-V397 WeakPolarHBondContact O-CB 3.37Å; Y393-V397 WeakPolarHBondContact O-CG2 3.2Å; Y393-V397 PolarHBondContact O-N 3.39Å; T395-V397 PolarHBondContact O-N 3.48Å; V397-K401 WeakPolarHBondContact O-CB 3.28Å; V397-K401 PolarHBondContact O-N 3.12Å |
| 398 | L | 97.4 | Very high | 96.3 | Very high | 82 Ų | 82 | 71.5 Ų | 71.5 | 43% | 0.429 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -66.2 | -38.8 | 177.7 | -74 | 175.5 | 0 | 0 | 0 | 112.3 | V394 T395 E396 R402 | V394-L398 HydrophobicContact CG1-CD1 3.69Å; V394-L398 HydrophobicContact CG1-CG 4.32Å; V394-L398 WeakPolarHBondContact O-CB 3.35Å; V394-L398 WeakPolarHBondContact O-CG 3.3Å; V394-L398 PolarHBondContact O-N 3.36Å; T395-L398 PolarHBondContact O-N 3.26Å; E396-L398 PolarHBondContact O-N 3.39Å; L398-R402 WeakPolarHBondContact O-CB 3.34Å; L398-R402 PolarHBondContact O-N 3.4Å |
| 399 | V | 98 | Very high | 96.1 | Very high | 74 Ų | 74 | 69.6 Ų | 69.6 | 45% | 0.448 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -65.1 | -54.6 | 175.5 | 172.1 | 0 | 0 | 0 | 0 | 110.1 | T395 E396 K401 R402 E403 | T395-V399 WeakPolarHBondContact O-CG2 3.16Å; T395-V399 PolarHBondContact O-N 3.06Å; E396-V399 PolarHBondContact O-N 2.89Å; V399-K401 PolarHBondContact O-N 2.9Å; V399-R402 WeakPolarHBondContact O-CB 3.45Å; V399-R402 PolarHBondContact O-N 2.93Å; V399-E403 PolarHBondContact O-N 3.03Å |
| 400 | A | 98 | Very high | 96 | Very high | 2 Ų | 2 | 71.8 Ų | 71.8 | 2% | 0.017 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -56.2 | -40 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | M276 D279 L280 E396 A404 | M276-A400 HydrophobicContact CG-CB 3.9Å; D279-A400 HydrophobicContact CB-CB 4.35Å; D279-A400 WeakPolarHBondContact OD2-CB 3.32Å; L280-A400 HydrophobicContact CD2-CB 4.19Å; L280-A400 HydrophobicContact CG-CB 4.17Å; E396-A400 WeakPolarHBondContact O-CB 3.34Å; E396-A400 PolarHBondContact O-N 2.82Å; A400-A404 VanDerWaalsContact O-CB 3.24Å; A400-A404 WeakPolarHBondContact O-CB 3.29Å; A400-A404 PolarHBondContact O-N 3.41Å |
| 401 | K | 97.8 | Very high | 95.6 | Very high | 10 Ų | 10 | 77.5 Ų | 77.5 | 4% | 0.043 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -65 | -40.4 | 176.3 | -173.9 | 61.1 | 169.2 | -136.4 | 0 | 112.3 | D241 S272 M276 V397 V399 R405 | D241-K401 WeakPolarHBondContact OD2-CD 3.18Å; D241-K401 WeakPolarHBondContact OD2-CE 3.13Å; D241-K401 IonicContact OD2-NZ 2.66Å; D241-K401 PolarHBondContact OD2-NZ 3.08Å; S272-K401 WeakPolarHBondContact OG-CD 3.41Å; S272-K401 WeakPolarHBondContact OG-CE 3.45Å; M276-K401 HydrophobicContact CB-CD 4.39Å; M276-K401 HydrophobicContact CG-CB 4.24Å; M276-K401 HydrophobicContact CG-CD 4.5Å; M276-K401 HydrophobicContact SD-CB 3.83Å; M276-K401 HydrophobicContact SD-CD 3.79Å; M276-K401 HydrophobicContact SD-CG 4.3Å; V397-K401 WeakPolarHBondContact O-CB 3.28Å; V397-K401 PolarHBondContact O-N 3.12Å; V399-K401 PolarHBondContact O-N 2.9Å; K401-R405 WeakPolarHBondContact O-CG 3.4Å; K401-R405 PolarHBondContact O-N 3.31Å; K401-R405 VanDerWaalsContact O-N 3.11Å |
| 402 | R | 97.1 | Very high | 95.2 | Very high | 187 Ų | 187 | 80.3 Ų | 80.3 | 71% | 0.706 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -66.8 | -45.9 | 179.3 | -173.8 | 174.6 | -177.1 | 175.7 | -0.8 | 110.8 | L398 V399 R405 L406 | L398-R402 WeakPolarHBondContact O-CB 3.34Å; L398-R402 PolarHBondContact O-N 3.4Å; V399-R402 WeakPolarHBondContact O-CB 3.45Å; V399-R402 PolarHBondContact O-N 2.93Å; R402-R405 PolarHBondContact O-N 2.92Å; R402-L406 HydrophobicContact CG-CD1 4.44Å; R402-L406 WeakPolarHBondContact O-CG 3.46Å; R402-L406 PolarHBondContact O-N 2.68Å |
| 403 | E | 97.8 | Very high | 94.7 | Very high | 104 Ų | 104 | 76.5 Ų | 76.5 | 49% | 0.486 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -62.6 | -43.5 | 176.5 | -68.3 | -178.7 | 178 | 0 | 0 | 111.8 | V399 R405 L406 K407 | V399-E403 PolarHBondContact O-N 3.03Å; E403-R405 VanDerWaalsContact C-N 3.28Å; E403-R405 PolarHBondContact O-N 2.83Å; E403-L406 PolarHBondContact O-N 3.14Å; E403-K407 WeakPolarHBondContact O-CB 3.31Å; E403-K407 PolarHBondContact O-N 3.2Å |
| 404 | A | 96.9 | Very high | 94.1 | Very high | 6 Ų | 6 | 75.3 Ų | 75.3 | 5% | 0.05 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -56.3 | -41.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L275 M276 A400 L408 | L275-A404 HydrophobicContact CB-CB 3.63Å; L275-A404 HydrophobicContact CD1-CB 4.4Å; M276-A404 HydrophobicContact CB-CB 4.44Å; A400-A404 VanDerWaalsContact O-CB 3.24Å; A400-A404 WeakPolarHBondContact O-CB 3.29Å; A400-A404 PolarHBondContact O-N 3.41Å; A404-L408 VanDerWaalsContact O-CG 3.31Å; A404-L408 WeakPolarHBondContact O-CG 3.39Å; A404-L408 PolarHBondContact O-N 2.87Å |
| 405 | R | 96.9 | Very high | 93.2 | Very high | 119 Ų | 119 | 77.9 Ų | 77.9 | 45% | 0.449 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -69.8 | -44.1 | 177.3 | -74 | -177.7 | 176.3 | 168.3 | 1.8 | 112.4 | Y268 S272 K401 R402 E403 K407 L408 D409 | Y268-R405 HydrophobicContact CE1-CG 3.99Å; Y268-R405 WeakPolarHBondContact OH-CB 3.44Å; Y268-R405 PolarHBondContact OH-O 2.87Å; S272-R405 WeakPolarHBondContact OG-CG 3.41Å; K401-R405 WeakPolarHBondContact O-CG 3.4Å; K401-R405 PolarHBondContact O-N 3.31Å; K401-R405 VanDerWaalsContact O-N 3.11Å; R402-R405 PolarHBondContact O-N 2.92Å; E403-R405 VanDerWaalsContact C-N 3.28Å; E403-R405 PolarHBondContact O-N 2.83Å; R405-K407 VanDerWaalsContact C-N 3.31Å; R405-K407 PolarHBondContact O-N 3.22Å; R405-L408 PolarHBondContact O-N 2.93Å; R405-L408 VanDerWaalsContact O-N 3.14Å; R405-D409 VanDerWaalsContact O-CG 3.25Å; R405-D409 PolarHBondContact O-N 2.98Å |
| 406 | L | 95.8 | Very high | 92 | Very high | 91 Ų | 91 | 78.4 Ų | 78.4 | 48% | 0.476 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -56.9 | -46.3 | 175.9 | -72.5 | 171.5 | 0 | 0 | 0 | 111.2 | R402 E403 L408 D409 E410 | R402-L406 HydrophobicContact CG-CD1 4.44Å; R402-L406 WeakPolarHBondContact O-CG 3.46Å; R402-L406 PolarHBondContact O-N 2.68Å; E403-L406 PolarHBondContact O-N 3.14Å; L406-L408 VanDerWaalsContact C-N 3.31Å; L406-L408 PolarHBondContact O-N 3.41Å; L406-D409 PolarHBondContact O-N 2.87Å; L406-D409 VanDerWaalsContact O-N 3.12Å; L406-E410 WeakPolarHBondContact O-CG 3.49Å; L406-E410 PolarHBondContact O-N 2.71Å |
| 407 | K | 94.6 | Very high | 90.8 | Very high | 105 Ų | 105 | 79.5 Ų | 79.5 | 46% | 0.457 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -58.9 | -40.7 | 176.4 | -173.3 | 172.5 | -176.8 | 173.2 | 0 | 112.8 | L275 E403 R405 Q411 | L275-K407 HydrophobicContact CD1-CD 4.42Å; E403-K407 WeakPolarHBondContact O-CB 3.31Å; E403-K407 PolarHBondContact O-N 3.2Å; R405-K407 VanDerWaalsContact C-N 3.31Å; R405-K407 PolarHBondContact O-N 3.22Å; K407-Q411 WeakPolarHBondContact O-CB 3.5Å; K407-Q411 WeakPolarHBondContact O-CG 3.1Å; K407-Q411 PolarHBondContact O-N 3.2Å |
| 408 | L | 93.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 86.5 Ų | 86.5 | 0% | 0 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -69 | -36.3 | 176.7 | -69.3 | 173.5 | 0 | 0 | 0 | 112.6 | Y268 Q271 L275 A404 R405 L406 K412 F413 | Y268-L408 HydrophobicContact CD2-CD1 4.38Å; Y268-L408 HydrophobicContact CE2-CB 3.89Å; Y268-L408 HydrophobicContact CE2-CD1 4.21Å; Q271-L408 HydrophobicContact CB-CD1 4.12Å; Q271-L408 HydrophobicContact CB-CD2 4.25Å; Q271-L408 HydrophobicContact CG-CD1 4.12Å; Q271-L408 HydrophobicContact CG-CD2 3.46Å; Q271-L408 VanDerWaalsContact CG-CD2 3.46Å; Q271-L408 HydrophobicContact CG-CG 4.41Å; L275-L408 HydrophobicContact CD1-CD1 4.29Å; L275-L408 HydrophobicContact CD1-CD2 3.88Å; L275-L408 HydrophobicContact CD1-CG 3.85Å; A404-L408 VanDerWaalsContact O-CG 3.31Å; A404-L408 WeakPolarHBondContact O-CG 3.39Å; A404-L408 PolarHBondContact O-N 2.87Å; R405-L408 PolarHBondContact O-N 2.93Å; R405-L408 VanDerWaalsContact O-N 3.14Å; L406-L408 VanDerWaalsContact C-N 3.31Å; L406-L408 PolarHBondContact O-N 3.41Å; L408-K412 PolarHBondContact O-N 2.97Å; L408-F413 HydrophobicContact CB-CB 3.99Å; L408-F413 HydrophobicContact CD2-CB 4.08Å; L408-F413 HydrophobicContact CD2-CD2 3.69Å; L408-F413 HydrophobicContact CD2-CE2 4.29Å; L408-F413 HydrophobicContact CD2-CG 3.96Å; L408-F413 VanDerWaalsContact O-CB 3.24Å; L408-F413 WeakPolarHBondContact O-CB 3.45Å; L408-F413 PolarHBondContact O-N 3.3Å |
| 409 | D | 91.2 | Very high | 88.9 | Confident | 95 Ų | 95 | 85.8 Ų | 85.8 | 51% | 0.508 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -70.3 | -40.9 | 178.6 | -66.2 | -11.2 | 0 | 0 | 0 | 110.9 | Y268 R405 L406 K412 | Y268-D409 WeakPolarHBondContact CE2-OD1 3.43Å; Y268-D409 PolarHBondContact OH-OD1 3.04Å; R405-D409 VanDerWaalsContact O-CG 3.25Å; R405-D409 PolarHBondContact O-N 2.98Å; L406-D409 PolarHBondContact O-N 2.87Å; L406-D409 VanDerWaalsContact O-N 3.12Å; D409-K412 WeakPolarHBondContact O-CA 3.07Å; D409-K412 PolarHBondContact O-N 3.15Å |
| 410 | E | 91.2 | Very high | 87.9 | Confident | 154 Ų | 154 | 86.1 Ų | 86.1 | 72% | 0.72 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -62.4 | -40.5 | 173.1 | -73.8 | 175.3 | 177.4 | 0 | 0 | 112.5 | L406 K412 | L406-E410 WeakPolarHBondContact O-CG 3.49Å; L406-E410 PolarHBondContact O-N 2.71Å; E410-K412 PolarHBondContact O-N 3.29Å |
| 411 | Q | 88.9 | Confident | 86.8 | Confident | 121 Ų | 121 | 92.6 Ų | 92.6 | 57% | 0.565 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | 1.8 | 173.4 | -69.6 | 178.2 | -4.6 | 0 | 0 | 113.2 | K407 F413 | K407-Q411 WeakPolarHBondContact O-CB 3.5Å; K407-Q411 WeakPolarHBondContact O-CG 3.1Å; K407-Q411 PolarHBondContact O-N 3.2Å; Q411-F413 PolarHBondContact O-N 2.84Å |
| 412 | K | 85.3 | Confident | 86 | Confident | 125 Ų | 125 | 96.4 Ų | 96.4 | 54% | 0.543 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.3 | 44.1 | -177.8 | -52.2 | -169.6 | -177.4 | -178.6 | 0 | 112 | L408 D409 E410 G414 E415 | L408-K412 PolarHBondContact O-N 2.97Å; D409-K412 WeakPolarHBondContact O-CA 3.07Å; D409-K412 PolarHBondContact O-N 3.15Å; E410-K412 PolarHBondContact O-N 3.29Å; K412-G414 PolarHBondContact O-N 3Å; K412-G414 VanDerWaalsContact O-N 3.15Å; K412-E415 HydrophobicContact CB-CB 3.92Å; K412-E415 WeakPolarHBondContact CB-OE2 3.33Å; K412-E415 WeakPolarHBondContact CD-OE2 3.39Å; K412-E415 IonicContact NZ-OE1 3.41Å; K412-E415 IonicContact NZ-OE2 2.71Å; K412-E415 WeakPolarHBondContact O-CB 3.41Å; K412-E415 PolarHBondContact O-N 2.93Å |
| 413 | F | 85.3 | Confident | 85.1 | Confident | 46 Ų | 46 | 93.5 Ų | 93.5 | 20% | 0.202 | 42% | 0.423 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | 122.4 | -173.7 | -176.7 | -88.9 | 0 | 0 | 0 | 111.6 | C267 Y268 Q271 H288 M290 L408 Q411 | C267-F413 HydrophobicContact CB-CE1 4.33Å; C267-F413 HydrophobicContact CB-CZ 4.41Å; Y268-F413 AromaticContact CD2-CD1 3.87Å; Y268-F413 HydrophobicContact CD2-CD1 3.87Å; Y268-F413 HydrophobicContact CD2-CE1 4.45Å; Q271-F413 HydrophobicContact CB-CE2 4.06Å; Q271-F413 HydrophobicContact CB-CZ 3.92Å; Q271-F413 HydrophobicContact CG-CD2 4.46Å; Q271-F413 HydrophobicContact CG-CE2 3.88Å; Q271-F413 HydrophobicContact CG-CZ 4.27Å; H288-F413 AromaticContact CE1-CE2 3.88Å; H288-F413 AromaticContact CE1-CZ 3.47Å; H288-F413 VanDerWaalsContact CE1-CZ 3.47Å; H288-F413 WeakPolarHBondContact CE1-CZ 3Å; M290-F413 HydrophobicContact CB-CE2 4.29Å; M290-F413 HydrophobicContact CB-CZ 3.92Å; M290-F413 HydrophobicContact CG-CE1 4.39Å; M290-F413 HydrophobicContact CG-CZ 4.18Å; L408-F413 HydrophobicContact CB-CB 3.99Å; L408-F413 HydrophobicContact CD2-CB 4.08Å; L408-F413 HydrophobicContact CD2-CD2 3.69Å; L408-F413 HydrophobicContact CD2-CE2 4.29Å; L408-F413 HydrophobicContact CD2-CG 3.96Å; L408-F413 VanDerWaalsContact O-CB 3.24Å; L408-F413 WeakPolarHBondContact O-CB 3.45Å; L408-F413 PolarHBondContact O-N 3.3Å; Q411-F413 PolarHBondContact O-N 2.84Å |
| 414 | G | 80.4 | Confident | 84.1 | Confident | 17 Ų | 17 | 93 Ų | 93 | 18% | 0.175 | 42% | 0.421 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 84.7 | -2.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | K412 R417 K418 | K412-G414 PolarHBondContact O-N 3Å; K412-G414 VanDerWaalsContact O-N 3.15Å; G414-R417 PolarHBondContact O-N 3.19Å; G414-K418 PolarHBondContact O-N 3.07Å |
| 415 | E | 79.5 | Confident | 83.2 | Confident | 83 Ų | 83 | 94.1 Ų | 94.1 | 39% | 0.388 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -61.3 | -47.1 | 179 | -169.5 | -176.2 | -142.8 | 0 | 0 | 111.7 | K412 R417 K418 I419 | K412-E415 HydrophobicContact CB-CB 3.92Å; K412-E415 WeakPolarHBondContact CB-OE2 3.33Å; K412-E415 WeakPolarHBondContact CD-OE2 3.39Å; K412-E415 IonicContact NZ-OE1 3.41Å; K412-E415 IonicContact NZ-OE2 2.71Å; K412-E415 WeakPolarHBondContact O-CB 3.41Å; K412-E415 PolarHBondContact O-N 2.93Å; E415-R417 PolarHBondContact O-N 2.84Å; E415-K418 WeakPolarHBondContact O-CA 3.32Å; E415-K418 WeakPolarHBondContact O-CB 3.15Å; E415-K418 PolarHBondContact O-N 3.38Å; E415-I419 HydrophobicContact CG-CD1 4.1Å; E415-I419 WeakPolarHBondContact O-CG1 3.21Å; E415-I419 PolarHBondContact O-N 3Å |
| 416 | Q | 71.8 | Confident | 82.4 | Confident | 115 Ų | 115 | 93.7 Ų | 93.7 | 54% | 0.537 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -56.6 | -38.8 | 176.4 | -170.1 | 60.8 | 42.3 | 0 | 0 | 112.4 | I419 N420 | Q416-I419 PolarHBondContact O-N 2.83Å; Q416-N420 PolarHBondContact NE2-OD1 3.19Å; Q416-N420 WeakPolarHBondContact O-CB 3.34Å; Q416-N420 PolarHBondContact O-N 2.73Å; Q416-N420 PolarHBondContact O-OD1 2.82Å |
| 417 | R | 72.4 | Confident | 81.6 | Confident | 132 Ų | 132 | 95.5 Ų | 95.5 | 50% | 0.498 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -70.2 | -36.1 | 176.7 | -175.7 | 172.2 | 178.4 | 178.4 | 6 | 111.9 | S289 M290 G414 E415 R421 | S289-R417 PolarHBondContact OG-NH1 3.17Å; M290-R417 HydrophobicContact CE-CB 3.99Å; M290-R417 HydrophobicContact SD-CB 3.75Å; M290-R417 WeakPolarHBondContact SD-CD 3.46Å; M290-R417 HydrophobicContact SD-CG 4.14Å; G414-R417 PolarHBondContact O-N 3.19Å; E415-R417 PolarHBondContact O-N 2.84Å; R417-R421 VanDerWaalsContact O-CB 3.3Å; R417-R421 WeakPolarHBondContact O-CB 3.18Å; R417-R421 PolarHBondContact O-N 3.43Å |
| 418 | K | 77.3 | Confident | 80.8 | Confident | 149 Ų | 149 | 95.9 Ų | 95.9 | 65% | 0.648 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -63.1 | -44.4 | 172.2 | -71.3 | 176.4 | -175.1 | 170.1 | 0 | 110.7 | G414 E415 R421 R422 | G414-K418 PolarHBondContact O-N 3.07Å; E415-K418 WeakPolarHBondContact O-CA 3.32Å; E415-K418 WeakPolarHBondContact O-CB 3.15Å; E415-K418 PolarHBondContact O-N 3.38Å; K418-R421 PolarHBondContact O-N 2.7Å; K418-R422 WeakPolarHBondContact O-CG 3.41Å; K418-R422 PolarHBondContact O-N 2.92Å |
| 419 | I | 77.1 | Confident | 80.2 | Confident | 66 Ų | 66 | 99.3 Ų | 99.3 | 34% | 0.338 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -60 | -51.2 | 176.7 | -66.8 | 167.3 | 0 | 0 | 0 | 110.1 | E415 Q416 R421 R422 K423 | E415-I419 HydrophobicContact CG-CD1 4.1Å; E415-I419 WeakPolarHBondContact O-CG1 3.21Å; E415-I419 PolarHBondContact O-N 3Å; Q416-I419 PolarHBondContact O-N 2.83Å; I419-R421 VanDerWaalsContact C-N 3.3Å; I419-R421 PolarHBondContact O-N 2.81Å; I419-R422 PolarHBondContact O-N 2.89Å; I419-K423 HydrophobicContact CG2-CD 4.45Å; I419-K423 WeakPolarHBondContact O-CG 3.3Å; I419-K423 PolarHBondContact O-N 2.86Å |
| 420 | N | 76.5 | Confident | 79.8 | Confident | 81 Ų | 81 | 98.1 Ų | 98.1 | 43% | 0.433 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61.7 | -39 | 179.8 | -68.7 | -1.7 | 0 | 0 | 0 | 111.8 | Q416 K423 Q424 | Q416-N420 PolarHBondContact NE2-OD1 3.19Å; Q416-N420 WeakPolarHBondContact O-CB 3.34Å; Q416-N420 PolarHBondContact O-N 2.73Å; Q416-N420 PolarHBondContact O-OD1 2.82Å; N420-K423 PolarHBondContact O-N 2.9Å; N420-Q424 WeakPolarHBondContact O-CB 3.3Å; N420-Q424 PolarHBondContact O-N 3.38Å |
| 421 | R | 76.4 | Confident | 79.6 | Confident | 139 Ų | 139 | 94.7 Ų | 94.7 | 53% | 0.525 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -66.1 | -39.3 | 176.1 | -167.3 | 178.9 | -168.1 | 170.1 | 5.8 | 112.5 | R417 K418 I419 Q424 M425 | R417-R421 VanDerWaalsContact O-CB 3.3Å; R417-R421 WeakPolarHBondContact O-CB 3.18Å; R417-R421 PolarHBondContact O-N 3.43Å; K418-R421 PolarHBondContact O-N 2.7Å; I419-R421 VanDerWaalsContact C-N 3.3Å; I419-R421 PolarHBondContact O-N 2.81Å; R421-Q424 PolarHBondContact O-N 2.88Å; R421-M425 HydrophobicContact CG-CE 4.13Å; R421-M425 WeakPolarHBondContact O-CG 3.36Å; R421-M425 PolarHBondContact O-N 2.97Å |
| 422 | R | 80.9 | Confident | 79.2 | Confident | 90 Ų | 90 | 89.6 Ų | 89.6 | 34% | 0.34 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -63.7 | -44.4 | 174.2 | -72.7 | -178.8 | 92.8 | 107.2 | -1.4 | 111 | K418 I419 Q424 M425 I426 P432 D433 E436 | K418-R422 WeakPolarHBondContact O-CG 3.41Å; K418-R422 PolarHBondContact O-N 2.92Å; I419-R422 PolarHBondContact O-N 2.89Å; R422-Q424 VanDerWaalsContact C-N 3.32Å; R422-Q424 PolarHBondContact O-N 3.07Å; R422-M425 PolarHBondContact O-N 3.07Å; R422-I426 VanDerWaalsContact O-CG1 3.31Å; R422-I426 WeakPolarHBondContact O-CG1 3.4Å; R422-I426 PolarHBondContact O-N 3.3Å; R422-I426 VanDerWaalsContact O-N 3.08Å; R422-P432 HydrophobicContact CB-CB 4.27Å; R422-P432 HydrophobicContact CG-CB 3.97Å; R422-D433 IonicContact CZ-OD1 3.57Å; R422-D433 IonicContact NH2-OD1 3.33Å; R422-D433 PolarHBondContact NH2-OD1 3.33Å; R422-D433 IonicContact NH2-OD2 2.76Å; R422-D433 PolarHBondContact NH2-OD2 2.95Å; R422-E436 IonicContact CZ-OE2 3.67Å; R422-E436 IonicContact NH1-OE2 3.14Å; R422-E436 PolarHBondContact NH1-OE2 2.94Å |
| 423 | K | 77.9 | Confident | 79.2 | Confident | 125 Ų | 125 | 87.4 Ų | 87.4 | 54% | 0.543 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -58.1 | -44.5 | 174.8 | -71 | -176.7 | 178.5 | -173.6 | 0 | 111.8 | I419 N420 I426 I427 | I419-K423 HydrophobicContact CG2-CD 4.45Å; I419-K423 WeakPolarHBondContact O-CG 3.3Å; I419-K423 PolarHBondContact O-N 2.86Å; N420-K423 PolarHBondContact O-N 2.9Å; K423-I426 PolarHBondContact O-N 2.92Å; K423-I427 WeakPolarHBondContact O-CG1 3.41Å; K423-I427 PolarHBondContact O-N 3.48Å; K423-I427 VanDerWaalsContact O-N 3.07Å |
| 424 | Q | 75.4 | Confident | 79.2 | Confident | 94 Ų | 94 | 90.9 Ų | 90.9 | 44% | 0.439 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -63.2 | -43.9 | 178.3 | -171 | 62.5 | 32.3 | 0 | 0 | 112.4 | N420 R421 R422 I426 I427 E428 | N420-Q424 WeakPolarHBondContact O-CB 3.3Å; N420-Q424 PolarHBondContact O-N 3.38Å; R421-Q424 PolarHBondContact O-N 2.88Å; R422-Q424 VanDerWaalsContact C-N 3.32Å; R422-Q424 PolarHBondContact O-N 3.07Å; Q424-I426 VanDerWaalsContact C-N 3.32Å; Q424-I426 PolarHBondContact O-N 3.07Å; Q424-I427 WeakPolarHBondContact O-CB 3.47Å; Q424-I427 PolarHBondContact O-N 3.18Å; Q424-E428 VanDerWaalsContact CG-OE1 3.3Å; Q424-E428 WeakPolarHBondContact CG-OE1 3.5Å; Q424-E428 PolarHBondContact NE2-OE1 3.38Å; Q424-E428 WeakPolarHBondContact O-CG 3.46Å; Q424-E428 PolarHBondContact O-N 3.05Å |
| 425 | M | 79.1 | Confident | 79.2 | Confident | 30 Ų | 30 | 92.1 Ų | 92.1 | 15% | 0.148 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -58.8 | -43.1 | 175.4 | -74.9 | 171.4 | 172.3 | 0 | 0 | 111.9 | R421 R422 I427 E428 G429 I430 P432 V435 | R421-M425 HydrophobicContact CG-CE 4.13Å; R421-M425 WeakPolarHBondContact O-CG 3.36Å; R421-M425 PolarHBondContact O-N 2.97Å; R422-M425 PolarHBondContact O-N 3.07Å; M425-I427 VanDerWaalsContact C-N 3.32Å; M425-I427 PolarHBondContact O-N 2.88Å; M425-E428 CarbonylContact O-C 3.59Å; M425-E428 PolarHBondContact O-N 3.47Å; M425-E428 VanDerWaalsContact O-N 3.14Å; M425-G429 PolarHBondContact O-N 2.91Å; M425-G429 VanDerWaalsContact O-N 3.15Å; M425-I430 CarbonylContact C-O 3.58Å; M425-I430 VanDerWaalsContact C-O 3.26Å; M425-I430 HydrophobicContact CB-CB 4.14Å; M425-I430 HydrophobicContact CB-CG2 4.44Å; M425-I430 HydrophobicContact CG-CG2 4.5Å; M425-I430 PolarHBondContact O-N 3.45Å; M425-I430 VanDerWaalsContact O-O 3.08Å; M425-P432 HydrophobicContact CB-CB 4.43Å; M425-P432 HydrophobicContact SD-CB 4.13Å; M425-V435 HydrophobicContact CE-CG1 4.17Å |
| 426 | I | 80 | Confident | 79.2 | Confident | 110 Ų | 110 | 91.5 Ų | 91.5 | 56% | 0.564 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -61.6 | -41.4 | 177.1 | -66.1 | 164 | 0 | 0 | 0 | 111 | R422 K423 Q424 E428 G429 P432 | R422-I426 VanDerWaalsContact O-CG1 3.31Å; R422-I426 WeakPolarHBondContact O-CG1 3.4Å; R422-I426 PolarHBondContact O-N 3.3Å; R422-I426 VanDerWaalsContact O-N 3.08Å; K423-I426 PolarHBondContact O-N 2.92Å; Q424-I426 VanDerWaalsContact C-N 3.32Å; Q424-I426 PolarHBondContact O-N 3.07Å; I426-E428 VanDerWaalsContact C-N 3.3Å; I426-E428 PolarHBondContact O-N 2.97Å; I426-G429 PolarHBondContact O-N 3.01Å; I426-G429 VanDerWaalsContact O-N 3.17Å; I426-P432 HydrophobicContact CD1-CG 4.27Å; I426-P432 HydrophobicContact CG1-CG 3.99Å |
| 427 | I | 78.7 | Confident | 79.6 | Confident | 129 Ų | 129 | 92.4 Ų | 92.4 | 66% | 0.662 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -64 | -37.5 | 175.9 | -67.3 | 164.7 | 0 | 0 | 0 | 111.2 | K423 Q424 M425 G429 | K423-I427 WeakPolarHBondContact O-CG1 3.41Å; K423-I427 PolarHBondContact O-N 3.48Å; K423-I427 VanDerWaalsContact O-N 3.07Å; Q424-I427 WeakPolarHBondContact O-CB 3.47Å; Q424-I427 PolarHBondContact O-N 3.18Å; M425-I427 VanDerWaalsContact C-N 3.32Å; M425-I427 PolarHBondContact O-N 2.88Å; I427-G429 PolarHBondContact O-N 3.18Å |
| 428 | E | 77.6 | Confident | 79.9 | Confident | 113 Ų | 113 | 89.6 Ų | 89.6 | 53% | 0.528 | 44% | 0.444 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78 | 2.9 | 176.9 | -69.7 | 167.1 | -170.2 | 0 | 0 | 113.4 | Q424 M425 I426 I430 | Q424-E428 VanDerWaalsContact CG-OE1 3.3Å; Q424-E428 WeakPolarHBondContact CG-OE1 3.5Å; Q424-E428 PolarHBondContact NE2-OE1 3.38Å; Q424-E428 WeakPolarHBondContact O-CG 3.46Å; Q424-E428 PolarHBondContact O-N 3.05Å; M425-E428 CarbonylContact O-C 3.59Å; M425-E428 PolarHBondContact O-N 3.47Å; M425-E428 VanDerWaalsContact O-N 3.14Å; I426-E428 VanDerWaalsContact C-N 3.3Å; I426-E428 PolarHBondContact O-N 2.97Å; E428-I430 VanDerWaalsContact C-N 3.27Å; E428-I430 HydrophobicContact CB-CD1 4.16Å; E428-I430 HydrophobicContact CB-CG1 4.26Å; E428-I430 PolarHBondContact O-N 3.33Å |
| 429 | G | 81.7 | Confident | 79.9 | Confident | 71 Ų | 71 | 89.1 Ų | 89.1 | 73% | 0.732 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.1 | 14.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | M425 I426 I427 | M425-G429 PolarHBondContact O-N 2.91Å; M425-G429 VanDerWaalsContact O-N 3.15Å; I426-G429 PolarHBondContact O-N 3.01Å; I426-G429 VanDerWaalsContact O-N 3.17Å; I427-G429 PolarHBondContact O-N 3.18Å |
| 430 | I | 83.5 | Confident | 80 | Confident | 71 Ų | 71 | 91.8 Ų | 91.8 | 36% | 0.364 | 45% | 0.448 | S | S | . | . | trans | -96.3 | 123.3 | 179.6 | -57.5 | 172.8 | 0 | 0 | 0 | 108.9 | M425 E428 P432 V435 | M425-I430 CarbonylContact C-O 3.58Å; M425-I430 VanDerWaalsContact C-O 3.26Å; M425-I430 HydrophobicContact CB-CB 4.14Å; M425-I430 HydrophobicContact CB-CG2 4.44Å; M425-I430 HydrophobicContact CG-CG2 4.5Å; M425-I430 PolarHBondContact O-N 3.45Å; M425-I430 VanDerWaalsContact O-O 3.08Å; E428-I430 VanDerWaalsContact C-N 3.27Å; E428-I430 HydrophobicContact CB-CD1 4.16Å; E428-I430 HydrophobicContact CB-CG1 4.26Å; E428-I430 PolarHBondContact O-N 3.33Å; I430-P432 WeakPolarHBondContact O-CD 3.45Å; I430-V435 HydrophobicContact CG2-CG2 3.42Å; I430-V435 VanDerWaalsContact CG2-CG2 3.42Å | ||
| 431 | D | 85.5 | Confident | 80.1 | Confident | 81 Ų | 81 | 96 Ų | 96 | 43% | 0.433 | 46% | 0.457 | S | S | . | . | trans | -69.4 | 111.8 | 173.4 | -178.6 | -4.6 | 0 | 0 | 0 | 110.4 | D433 E434 V435 | D431-D433 PolarHBondContact O-N 3.42Å; D431-D433 WeakPolarHBondContact OD1-CB 3.11Å; D431-D433 PolarHBondContact OD1-N 3.49Å; D431-E434 HydrophobicContact CB-CB 3.98Å; D431-E434 PolarHBondContact O-N 2.94Å; D431-V435 WeakPolarHBondContact O-CG2 3.24Å; D431-V435 PolarHBondContact O-N 3.41Å | ||
| 432 | P | 81.7 | Confident | 80 | Confident | 14 Ų | 14 | 96.5 Ų | 96.5 | 9% | 0.091 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -63.5 | -27.2 | -179.9 | 25.7 | -32.8 | 0 | 0 | 0 | 113.4 | R422 M425 I426 I430 E436 | R422-P432 HydrophobicContact CB-CB 4.27Å; R422-P432 HydrophobicContact CG-CB 3.97Å; M425-P432 HydrophobicContact CB-CB 4.43Å; M425-P432 HydrophobicContact SD-CB 4.13Å; I426-P432 HydrophobicContact CD1-CG 4.27Å; I426-P432 HydrophobicContact CG1-CG 3.99Å; I430-P432 WeakPolarHBondContact O-CD 3.45Å; P432-E436 WeakPolarHBondContact O-CB 3.36Å; P432-E436 PolarHBondContact O-N 2.86Å |
| 433 | D | 85.7 | Confident | 79.6 | Confident | 80 Ų | 80 | 99.5 Ų | 99.5 | 43% | 0.428 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -75.2 | -35.4 | 178.9 | -76.1 | -50.8 | 0 | 0 | 0 | 112.1 | R422 D431 E436 K437 | R422-D433 IonicContact CZ-OD1 3.57Å; R422-D433 IonicContact NH2-OD1 3.33Å; R422-D433 PolarHBondContact NH2-OD1 3.33Å; R422-D433 IonicContact NH2-OD2 2.76Å; R422-D433 PolarHBondContact NH2-OD2 2.95Å; D431-D433 PolarHBondContact O-N 3.42Å; D431-D433 WeakPolarHBondContact OD1-CB 3.11Å; D431-D433 PolarHBondContact OD1-N 3.49Å; D433-E436 PolarHBondContact O-N 3.46Å; D433-K437 WeakPolarHBondContact O-CB 2.83Å; D433-K437 WeakPolarHBondContact O-CG 3.38Å; D433-K437 PolarHBondContact O-N 3.13Å |
| 434 | E | 83.3 | Confident | 79.2 | Confident | 118 Ų | 118 | 103.3 Ų | 103.3 | 55% | 0.551 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -65.5 | -46.6 | 172.8 | -165.7 | 173.7 | -161.2 | 0 | 0 | 111.1 | D431 E436 K437 D438 | D431-E434 HydrophobicContact CB-CB 3.98Å; D431-E434 PolarHBondContact O-N 2.94Å; E434-E436 VanDerWaalsContact C-N 3.26Å; E434-E436 PolarHBondContact O-N 3.46Å; E434-K437 WeakPolarHBondContact O-CB 3.34Å; E434-K437 PolarHBondContact O-N 3.13Å; E434-D438 PolarHBondContact O-N 3.1Å |
| 435 | V | 80.9 | Confident | 78.9 | Confident | 44 Ų | 44 | 108 Ų | 108 | 27% | 0.267 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58.7 | -39.1 | 174.5 | 175.6 | 0 | 0 | 0 | 0 | 111.6 | M425 I430 D431 R439 | M425-V435 HydrophobicContact CE-CG1 4.17Å; I430-V435 HydrophobicContact CG2-CG2 3.42Å; I430-V435 VanDerWaalsContact CG2-CG2 3.42Å; D431-V435 WeakPolarHBondContact O-CG2 3.24Å; D431-V435 PolarHBondContact O-N 3.41Å; V435-R439 WeakPolarHBondContact O-CB 3.44Å; V435-R439 WeakPolarHBondContact O-CG 3.2Å; V435-R439 PolarHBondContact O-N 3.24Å |
| 436 | E | 79.6 | Confident | 78.2 | Confident | 70 Ų | 70 | 110.7 Ų | 110.7 | 33% | 0.327 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -69.2 | -41.8 | 177.6 | -166.4 | 178.2 | 155.3 | 0 | 0 | 112.2 | R422 P432 D433 E434 R439 K440 | R422-E436 IonicContact CZ-OE2 3.67Å; R422-E436 IonicContact NH1-OE2 3.14Å; R422-E436 PolarHBondContact NH1-OE2 2.94Å; P432-E436 WeakPolarHBondContact O-CB 3.36Å; P432-E436 PolarHBondContact O-N 2.86Å; D433-E436 PolarHBondContact O-N 3.46Å; E434-E436 VanDerWaalsContact C-N 3.26Å; E434-E436 PolarHBondContact O-N 3.46Å; E436-R439 PolarHBondContact O-N 3.32Å; E436-K440 WeakPolarHBondContact O-CG 3.29Å; E436-K440 PolarHBondContact O-N 2.95Å; E436-K440 WeakPolarHBondContact OE1-CE 3.47Å; E436-K440 IonicContact OE1-NZ 3.96Å; E436-K440 PolarHBondContact OE1-NZ 3.36Å |
| 437 | K | 80.2 | Confident | 77.1 | Confident | 134 Ų | 134 | 113.4 Ų | 113.4 | 58% | 0.583 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -59.7 | -45.2 | 173.9 | -78.2 | 172.1 | -177.2 | 168.8 | 0 | 111.2 | D433 E434 R439 K440 R441 | D433-K437 WeakPolarHBondContact O-CB 2.83Å; D433-K437 WeakPolarHBondContact O-CG 3.38Å; D433-K437 PolarHBondContact O-N 3.13Å; E434-K437 WeakPolarHBondContact O-CB 3.34Å; E434-K437 PolarHBondContact O-N 3.13Å; K437-R439 PolarHBondContact O-N 3.48Å; K437-K440 PolarHBondContact O-N 3.38Å; K437-R441 WeakPolarHBondContact O-CG 3.37Å; K437-R441 PolarHBondContact O-N 3.07Å |
| 438 | D | 79.5 | Confident | 75.7 | Confident | 73 Ų | 73 | 110 Ų | 110 | 39% | 0.39 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.9 | -38.8 | 178.6 | -88.5 | 0.8 | 0 | 0 | 0 | 112.8 | E434 K440 R441 K442 | E434-D438 PolarHBondContact O-N 3.1Å; D438-K440 PolarHBondContact O-N 2.84Å; D438-R441 PolarHBondContact O-N 2.94Å; D438-R441 IonicContact OD1-NH1 3.94Å; D438-K442 PolarHBondContact O-N 3.24Å |
| 439 | R | 76.9 | Confident | 74.5 | Confident | 139 Ų | 139 | 109.2 Ų | 109.2 | 53% | 0.525 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.5 | -42.6 | 171 | -83.4 | 177.9 | 145.3 | -172.1 | -6 | 112.4 | V435 E436 K437 K442 K443 | V435-R439 WeakPolarHBondContact O-CB 3.44Å; V435-R439 WeakPolarHBondContact O-CG 3.2Å; V435-R439 PolarHBondContact O-N 3.24Å; E436-R439 PolarHBondContact O-N 3.32Å; K437-R439 PolarHBondContact O-N 3.48Å; R439-K442 PolarHBondContact O-N 2.96Å; R439-K443 PolarHBondContact O-N 3Å |
| 440 | K | 79.3 | Confident | 72.9 | Confident | 121 Ų | 121 | 110.2 Ų | 110.2 | 53% | 0.526 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.1 | -40.5 | 176.4 | -74.8 | 174.7 | -175.8 | 164.4 | 0 | 111.3 | E436 K437 D438 K443 R444 | E436-K440 WeakPolarHBondContact O-CG 3.29Å; E436-K440 PolarHBondContact O-N 2.95Å; E436-K440 WeakPolarHBondContact OE1-CE 3.47Å; E436-K440 IonicContact OE1-NZ 3.96Å; E436-K440 PolarHBondContact OE1-NZ 3.36Å; K437-K440 PolarHBondContact O-N 3.38Å; D438-K440 PolarHBondContact O-N 2.84Å; K440-K443 PolarHBondContact O-N 3.44Å; K440-R444 WeakPolarHBondContact O-CG 3.36Å; K440-R444 PolarHBondContact O-N 3.24Å |
| 441 | R | 79.3 | Confident | 71.1 | Confident | 169 Ų | 169 | 110 Ų | 110 | 64% | 0.638 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -61.5 | -47.8 | 173.8 | -75.6 | 173.9 | 171.2 | 175.7 | -4.7 | 112 | K437 D438 R444 R445 | K437-R441 WeakPolarHBondContact O-CG 3.37Å; K437-R441 PolarHBondContact O-N 3.07Å; D438-R441 PolarHBondContact O-N 2.94Å; D438-R441 IonicContact OD1-NH1 3.94Å; R441-R444 PolarHBondContact O-N 2.73Å; R441-R445 PolarHBondContact O-N 3Å |
| 442 | K | 74.1 | Confident | 69.3 | Low | 151 Ų | 151 | 112.3 Ų | 112.3 | 66% | 0.657 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -59.3 | -47.5 | 175.6 | -76.2 | -178.3 | 179.9 | 178.1 | 0 | 111.6 | D438 R439 R444 R445 T446 | D438-K442 PolarHBondContact O-N 3.24Å; R439-K442 PolarHBondContact O-N 2.96Å; K442-R444 VanDerWaalsContact C-N 3.34Å; K442-R444 PolarHBondContact O-N 2.93Å; K442-R445 WeakPolarHBondContact O-CB 3.41Å; K442-R445 PolarHBondContact O-N 2.95Å; K442-T446 PolarHBondContact O-N 3.26Å; K442-T446 PolarHBondContact O-OG1 3.28Å |
| 443 | K | 71.1 | Confident | 67.5 | Low | 153 Ų | 153 | 114.5 Ų | 114.5 | 67% | 0.665 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -60 | -38.9 | 176.3 | -79.2 | -175.3 | 176.9 | -176.6 | 0 | 113.3 | R439 K440 T446 K447 | R439-K443 PolarHBondContact O-N 3Å; K440-K443 PolarHBondContact O-N 3.44Å; K443-T446 PolarHBondContact O-N 2.9Å; K443-K447 PolarHBondContact O-N 2.79Å |
| 444 | R | 70.8 | Confident | 65.4 | Low | 204 Ų | 204 | 116.8 Ų | 116.8 | 77% | 0.77 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -63.9 | -43.9 | 175.1 | -79.8 | -178.4 | 168 | -178.4 | -3.5 | 111.4 | K440 R441 K442 K447 S448 | K440-R444 WeakPolarHBondContact O-CG 3.36Å; K440-R444 PolarHBondContact O-N 3.24Å; R441-R444 PolarHBondContact O-N 2.73Å; K442-R444 VanDerWaalsContact C-N 3.34Å; K442-R444 PolarHBondContact O-N 2.93Å; R444-K447 PolarHBondContact O-N 3.18Å; R444-S448 PolarHBondContact O-N 2.88Å; R444-S448 PolarHBondContact O-OG 3.36Å |
| 445 | R | 68 | Low | 63.2 | Low | 193 Ų | 193 | 113.7 Ų | 113.7 | 73% | 0.728 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -60.5 | -44.7 | 174.7 | -74.6 | -178.4 | 171 | 175.6 | -2.4 | 112.2 | R441 K442 K447 S448 T449 | R441-R445 PolarHBondContact O-N 3Å; K442-R445 WeakPolarHBondContact O-CB 3.41Å; K442-R445 PolarHBondContact O-N 2.95Å; R445-K447 VanDerWaalsContact C-N 3.34Å; R445-K447 PolarHBondContact O-N 2.94Å; R445-S448 WeakPolarHBondContact CA-OG 3.05Å; R445-S448 PolarHBondContact O-N 3.28Å; R445-S448 PolarHBondContact O-OG 3.22Å; R445-T449 PolarHBondContact O-N 3.35Å; R445-T449 PolarHBondContact O-OG1 3.41Å |
| 446 | T | 64.3 | Low | 61 | Low | 87 Ų | 87 | 120.5 Ų | 120.5 | 53% | 0.534 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -63.5 | -40.2 | 177.9 | -31 | 0 | 0 | 0 | 0 | 111.7 | K442 K443 T449 V450 | K442-T446 PolarHBondContact O-N 3.26Å; K442-T446 PolarHBondContact O-OG1 3.28Å; K443-T446 PolarHBondContact O-N 2.9Å; T446-T449 PolarHBondContact O-N 3.12Å; T446-V450 WeakPolarHBondContact O-CG2 3.4Å; T446-V450 PolarHBondContact O-N 2.83Å; T446-V450 VanDerWaalsContact O-N 3.1Å |
| 447 | K | 57.1 | Low | 58.9 | Low | 166 Ų | 166 | 121.9 Ų | 121.9 | 72% | 0.722 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -64.1 | -40.2 | 175.4 | -78.2 | -171.9 | 175.3 | -169 | 0 | 112.6 | K443 R444 R445 A451 | K443-K447 PolarHBondContact O-N 2.79Å; R444-K447 PolarHBondContact O-N 3.18Å; R445-K447 VanDerWaalsContact C-N 3.34Å; R445-K447 PolarHBondContact O-N 2.94Å; K447-A451 WeakPolarHBondContact O-CB 3.45Å; K447-A451 PolarHBondContact O-N 2.65Å |
| 448 | S | 49.8 | Very low | 56.8 | Low | 58 Ų | 58 | 121.4 Ų | 121.4 | 41% | 0.406 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -67.4 | -38.2 | 176.7 | 52.9 | 0 | 0 | 0 | 0 | 112.5 | R444 R445 A451 L452 | R444-S448 PolarHBondContact O-N 2.88Å; R444-S448 PolarHBondContact O-OG 3.36Å; R445-S448 WeakPolarHBondContact CA-OG 3.05Å; R445-S448 PolarHBondContact O-N 3.28Å; R445-S448 PolarHBondContact O-OG 3.22Å; S448-A451 PolarHBondContact O-N 2.72Å; S448-L452 WeakPolarHBondContact O-CD1 3.45Å; S448-L452 WeakPolarHBondContact O-CG 3.02Å; S448-L452 PolarHBondContact O-N 2.57Å |
| 449 | T | 51.5 | Low | 54.8 | Low | 97 Ų | 97 | 127.7 Ų | 127.7 | 60% | 0.595 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -65.5 | -40.3 | 177 | -47.9 | 0 | 0 | 0 | 0 | 111.7 | R445 T446 L452 G453 | R445-T449 PolarHBondContact O-N 3.35Å; R445-T449 PolarHBondContact O-OG1 3.41Å; T446-T449 PolarHBondContact O-N 3.12Å; T449-L452 PolarHBondContact O-N 3.44Å; T449-G453 PolarHBondContact O-N 2.86Å |
| 450 | V | 49.7 | Very low | 53 | Low | 91 Ų | 91 | 130 Ų | 130 | 55% | 0.552 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -66.4 | -37.2 | 174.8 | 175 | 0 | 0 | 0 | 0 | 111.5 | T446 N454 | T446-V450 WeakPolarHBondContact O-CG2 3.4Å; T446-V450 PolarHBondContact O-N 2.83Å; T446-V450 VanDerWaalsContact O-N 3.1Å; V450-N454 PolarHBondContact O-N 3.24Å |
| 451 | A | 45.4 | Very low | 51.7 | Low | 66 Ų | 66 | 130.5 Ų | 130.5 | 55% | 0.545 | 70% | 0.697 | S | S | . | * | H | α-helix | trans | -67.6 | -39.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | K447 S448 N454 | K447-A451 WeakPolarHBondContact O-CB 3.45Å; K447-A451 PolarHBondContact O-N 2.65Å; S448-A451 PolarHBondContact O-N 2.72Å; A451-N454 PolarHBondContact O-N 2.93Å |
| 452 | L | 47.1 | Very low | 50.2 | Low | 131 Ų | 131 | 128.5 Ų | 128.5 | 69% | 0.686 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -68.3 | -35.1 | 177.3 | -77.8 | 156.5 | 0 | 0 | 0 | 112.5 | S448 T449 N454 G455 | S448-L452 WeakPolarHBondContact O-CD1 3.45Å; S448-L452 WeakPolarHBondContact O-CG 3.02Å; S448-L452 PolarHBondContact O-N 2.57Å; T449-L452 PolarHBondContact O-N 3.44Å; L452-N454 VanDerWaalsContact C-N 3.26Å; L452-N454 PolarHBondContact O-N 3.29Å; L452-G455 PolarHBondContact O-N 3.4Å |
| 453 | G | 43.7 | Very low | 48.9 | Very low | 59 Ų | 59 | 127.2 Ų | 127.2 | 61% | 0.608 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -67 | -23 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | T449 | T449-G453 PolarHBondContact O-N 2.86Å |
| 454 | N | 42.2 | Very low | 47.6 | Very low | 129 Ų | 129 | 125.7 Ų | 125.7 | 69% | 0.69 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.3 | -4.6 | 176.9 | -74.6 | -2.2 | 0 | 0 | 0 | 113.6 | V450 A451 L452 | V450-N454 PolarHBondContact O-N 3.24Å; A451-N454 PolarHBondContact O-N 2.93Å; L452-N454 VanDerWaalsContact C-N 3.26Å; L452-N454 PolarHBondContact O-N 3.29Å |
| 455 | G | 37.7 | Very low | 46.1 | Very low | 53 Ų | 53 | 120.8 Ų | 120.8 | 55% | 0.546 | 70% | 0.701 | S | S | . | * | S | Bend | trans | -95 | -11 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | L452 | L452-G455 PolarHBondContact O-N 3.4Š|
| 456 | Q | 34.8 | Very low | 44.7 | Very low | 187 Ų | 187 | 116 Ų | 116 | 87% | 0.874 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -103.2 | 62.5 | 179.8 | -72 | -172.1 | -18.6 | 0 | 0 | 110.8 | ||
| 457 | S | 35.4 | Very low | 43.3 | Very low | 98 Ų | 98 | 118.1 Ų | 118.1 | 69% | 0.685 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -156.7 | 46.6 | 169.1 | 68.9 | 0 | 0 | 0 | 0 | 111.9 | ||
| 458 | T | 35.4 | Very low | 42.2 | Very low | 124 Ų | 124 | 114.4 Ų | 114.4 | 76% | 0.761 | 71% | 0.71 | S | S | * | * | trans | -152 | 61.3 | 170 | 55.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 459 | E | 36.6 | Very low | 41.6 | Very low | 206 Ų | 206 | 119.1 Ų | 119.1 | 96% | 0.963 | 74% | 0.735 | S | S | * | * | trans | -139.5 | 82.9 | 160.5 | -75.5 | -170.5 | 170.5 | 0 | 0 | 108.2 | ||||
| 460 | S | 39.8 | Very low | 40.7 | Very low | 188 Ų | 188 | 121.1 Ų | 121.1 | 100% | 1.315 | 75% | 0.748 | S | S | * | * | trans | -132 | 0 | 151.5 | 62.8 | 0 | 0 | 0 | 0 | 105.5 |
Retrieved 460 of 460 residues in 140.8 ms
(Link to these results)