| 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 | 28.3 | Very low | 42.2 | Very low | 237 Ų | 237 | 102.5 Ų | 102.5 | 100% | 1.167 | 52% | 0.516 | S | S | * | . | 0 | 63.6 | 0 | -67.3 | 177.1 | -124.5 | 0 | 0 | 108.5 | |||||
| 2 | G | 33.3 | Very low | 42.8 | Very low | 27 Ų | 27 | 101.2 Ų | 101.2 | 28% | 0.278 | 51% | 0.507 | S | S | . | . | trans | -86.4 | -18.7 | -163.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | A4 E226 | G2-A4 PolarHBondContact O-N 2.93Å; G2-E226 WeakPolarHBondContact CA-OE2 3.23Å | ||
| 3 | Q | 41.4 | Very low | 43.7 | Very low | 125 Ų | 125 | 94.5 Ų | 94.5 | 58% | 0.584 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | 39.9 | -173.4 | -60.7 | -177.7 | 0.2 | 0 | 0 | 114.1 | R7 | Q3-R7 PolarHBondContact O-NE 3.24Å; Q3-R7 PolarHBondContact O-NH2 3.23Å; Q3-R7 VanDerWaalsContact O-NH2 3.15Å |
| 4 | A | 35.4 | Very low | 44.3 | Very low | 54 Ų | 54 | 92.2 Ų | 92.2 | 45% | 0.446 | 46% | 0.46 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | -46.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | G2 R7 | G2-A4 PolarHBondContact O-N 2.93Å; A4-R7 WeakPolarHBondContact O-CB 3.3Å; A4-R7 WeakPolarHBondContact O-CD 3.46Å; A4-R7 WeakPolarHBondContact O-CG 3.27Å |
| 5 | L | 37.7 | Very low | 44.9 | Very low | 95 Ų | 95 | 93.1 Ų | 93.1 | 50% | 0.497 | 46% | 0.463 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | -6.3 | -164.9 | -79.1 | 150.4 | 0 | 0 | 0 | 115.2 | R7 E227 | L5-R7 VanDerWaalsContact C-N 3.27Å; L5-R7 PolarHBondContact O-N 3.39Å; L5-E227 HydrophobicContact CB-CB 4.27Å; L5-E227 HydrophobicContact CB-CG 4.44Å; L5-E227 HydrophobicContact CD1-CB 4.03Å; L5-E227 HydrophobicContact CD1-CG 3.54Å; L5-E227 VanDerWaalsContact CD1-OE1 3.32Å; L5-E227 WeakPolarHBondContact CD1-OE1 3.46Å |
| 6 | W | 45.8 | Very low | 45.8 | Very low | 31 Ų | 31 | 91.8 Ų | 91.8 | 12% | 0.117 | 46% | 0.457 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -3.1 | 171.5 | -75.1 | 91.6 | 0 | 0 | 0 | 114.4 | L8 E226 R228 L232 I269 I273 | W6-L8 VanDerWaalsContact C-N 3.34Å; W6-L8 PolarHBondContact O-N 3.07Å; W6-E226 VanDerWaalsContact CD1-O 3.27Å; W6-E226 PolarHBondContact NE1-O 3.49Å; W6-R228 HydrophobicContact CD2-CG 4.01Å; W6-R228 HydrophobicContact CE3-CG 4.01Å; W6-R228 VanDerWaalsContact CE3-CZ 3.42Å; W6-R228 VanDerWaalsContact CE3-NE 3.35Å; W6-R228 HydrophobicContact CH2-CG 3.71Å; W6-R228 HydrophobicContact CZ2-CB 4.45Å; W6-R228 HydrophobicContact CZ2-CG 3.72Å; W6-R228 HydrophobicContact CZ3-CG 3.88Å; W6-R228 VanDerWaalsContact CZ3-CZ 3.43Å; W6-R228 PolarHBondContact O-NH2 3.18Å; W6-L232 HydrophobicContact CH2-CD2 3.33Å; W6-L232 HydrophobicContact CZ2-CD2 3.47Å; W6-L232 VanDerWaalsContact CZ2-CD2 3.47Å; W6-I269 HydrophobicContact CE3-CG2 4.38Å; W6-I269 HydrophobicContact CH2-CG2 4.13Å; W6-I269 HydrophobicContact CZ3-CG2 3.88Å; W6-I273 HydrophobicContact CB-CD1 4.04Å; W6-I273 HydrophobicContact CB-CG2 4.31Å; W6-I273 HydrophobicContact CD2-CD1 3.57Å; W6-I273 HydrophobicContact CE3-CD1 3.37Å; W6-I273 HydrophobicContact CG-CD1 3.83Å; W6-I273 HydrophobicContact CZ3-CD1 4.17Å |
| 7 | R | 52.4 | Low | 46.3 | Very low | 171 Ų | 171 | 87.2 Ų | 87.2 | 65% | 0.645 | 43% | 0.434 | S | S | * | . | trans | -74.4 | 73 | -172.4 | -64.6 | 178.8 | -170.8 | -165.4 | 2.2 | 113.7 | Q3 A4 L5 | Q3-R7 PolarHBondContact O-NE 3.24Å; Q3-R7 PolarHBondContact O-NH2 3.23Å; Q3-R7 VanDerWaalsContact O-NH2 3.15Å; A4-R7 WeakPolarHBondContact O-CB 3.3Å; A4-R7 WeakPolarHBondContact O-CD 3.46Å; A4-R7 WeakPolarHBondContact O-CG 3.27Å; L5-R7 VanDerWaalsContact C-N 3.27Å; L5-R7 PolarHBondContact O-N 3.39Å | ||
| 8 | L | 52 | Low | 46.7 | Very low | 39 Ų | 39 | 86.2 Ų | 86.2 | 20% | 0.204 | 43% | 0.428 | C | S | . | . | trans | -92.7 | 140.1 | 165.9 | -63 | -171.8 | 0 | 0 | 0 | 110.8 | W6 Q12 Q13 L16 | W6-L8 VanDerWaalsContact C-N 3.34Å; W6-L8 PolarHBondContact O-N 3.07Å; L8-Q12 HydrophobicContact CB-CB 3.94Å; L8-Q12 HydrophobicContact CD1-CB 4.34Å; L8-Q12 HydrophobicContact CD2-CB 4.13Å; L8-Q12 HydrophobicContact CG-CB 4.36Å; L8-Q13 HydrophobicContact CB-CG 3.8Å; L8-L16 HydrophobicContact CD1-CD1 3.34Å | ||
| 9 | S | 48.1 | Very low | 47.3 | Very low | 49 Ų | 49 | 87.5 Ų | 87.5 | 34% | 0.343 | 43% | 0.433 | S | S | . | . | trans | -64.8 | 156.9 | 165.5 | 66 | 0 | 0 | 0 | 0 | 110.7 | R11 Q12 Q13 | S9-R11 PolarHBondContact O-N 3.14Å; S9-Q12 PolarHBondContact O-N 3.23Å; S9-Q12 PolarHBondContact OG-N 3.41Å; S9-Q12 PolarHBondContact OG-OE1 3.01Å; S9-Q13 PolarHBondContact O-N 2.91Å | ||
| 10 | P | 47.2 | Very low | 47.6 | Very low | 98 Ų | 98 | 84.5 Ų | 84.5 | 64% | 0.636 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -55.7 | -26.9 | 177.5 | -28.8 | 36.5 | 0 | 0 | 0 | 114.3 | Q14 | P10-Q14 WeakPolarHBondContact O-CB 3.39Å; P10-Q14 PolarHBondContact O-N 3.2Å |
| 11 | R | 43 | Very low | 47.6 | Very low | 201 Ų | 201 | 81.1 Ų | 81.1 | 76% | 0.758 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -69.7 | -46.1 | 172.3 | -72.4 | -174.4 | 175.8 | -177.5 | -1.8 | 112.3 | S9 Q13 Q14 Q15 | S9-R11 PolarHBondContact O-N 3.14Å; R11-Q13 VanDerWaalsContact C-N 3.33Å; R11-Q13 PolarHBondContact O-N 3.11Å; R11-Q14 PolarHBondContact O-N 3.11Å; R11-Q15 WeakPolarHBondContact O-CG 3.27Å; R11-Q15 PolarHBondContact O-N 3.34Å |
| 12 | Q | 49.7 | Very low | 48.4 | Very low | 87 Ų | 87 | 75.3 Ų | 75.3 | 41% | 0.407 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -67.3 | -34.2 | 176.3 | -69.8 | 161.6 | -64.3 | 0 | 0 | 112.1 | L8 S9 Q14 L16 | L8-Q12 HydrophobicContact CB-CB 3.94Å; L8-Q12 HydrophobicContact CD1-CB 4.34Å; L8-Q12 HydrophobicContact CD2-CB 4.13Å; L8-Q12 HydrophobicContact CG-CB 4.36Å; S9-Q12 PolarHBondContact O-N 3.23Å; S9-Q12 PolarHBondContact OG-N 3.41Å; S9-Q12 PolarHBondContact OG-OE1 3.01Å; Q12-Q14 VanDerWaalsContact C-N 3.33Å; Q12-L16 WeakPolarHBondContact O-CB 3.29Å; Q12-L16 PolarHBondContact O-N 3.08Å |
| 13 | Q | 54.2 | Low | 49.1 | Very low | 14 Ų | 14 | 81.1 Ų | 81.1 | 7% | 0.065 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -61.3 | -42.4 | 170.4 | -67.3 | -178.9 | -21.4 | 0 | 0 | 111.5 | L8 S9 R11 Q17 L270 | L8-Q13 HydrophobicContact CB-CG 3.8Å; S9-Q13 PolarHBondContact O-N 2.91Å; R11-Q13 VanDerWaalsContact C-N 3.33Å; R11-Q13 PolarHBondContact O-N 3.11Å; Q13-Q17 WeakPolarHBondContact O-CG 3.47Å; Q13-Q17 PolarHBondContact O-N 3.24Å; Q13-Q17 VanDerWaalsContact O-N 3.15Å; Q13-L270 HydrophobicContact CG-CD2 4.29Å |
| 14 | Q | 52.6 | Low | 49.2 | Very low | 63 Ų | 63 | 78.2 Ų | 78.2 | 29% | 0.294 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -68.1 | -45.1 | 177.1 | -169.3 | -170.8 | -39.1 | 0 | 0 | 111.9 | P10 R11 Q12 L16 Q17 E18 | P10-Q14 WeakPolarHBondContact O-CB 3.39Å; P10-Q14 PolarHBondContact O-N 3.2Å; R11-Q14 PolarHBondContact O-N 3.11Å; Q12-Q14 VanDerWaalsContact C-N 3.33Å; Q14-L16 VanDerWaalsContact C-N 3.34Å; Q14-L16 PolarHBondContact O-N 3.34Å; Q14-Q17 CarbonylContact O-C 3.55Å; Q14-Q17 WeakPolarHBondContact O-CA 3.5Å; Q14-Q17 WeakPolarHBondContact O-CB 3.33Å; Q14-Q17 PolarHBondContact O-N 3.25Å; Q14-E18 WeakPolarHBondContact CG-OE1 3.32Å; Q14-E18 PolarHBondContact NE2-OE1 3.47Å; Q14-E18 WeakPolarHBondContact O-CG 3.25Å; Q14-E18 PolarHBondContact O-N 2.93Å |
| 15 | Q | 53.2 | Low | 49.5 | Very low | 106 Ų | 106 | 80.6 Ų | 80.6 | 50% | 0.495 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -59.7 | -43.1 | 177.8 | -72 | 177.2 | -87.6 | 0 | 0 | 111.8 | R11 Q17 E18 E19 | R11-Q15 WeakPolarHBondContact O-CG 3.27Å; R11-Q15 PolarHBondContact O-N 3.34Å; Q15-Q17 VanDerWaalsContact C-N 3.28Å; Q15-Q17 PolarHBondContact O-N 2.89Å; Q15-E18 CarbonylContact O-C 3.59Å; Q15-E18 WeakPolarHBondContact O-CA 3.27Å; Q15-E18 WeakPolarHBondContact O-CB 3.36Å; Q15-E18 PolarHBondContact O-N 3.28Å; Q15-E19 WeakPolarHBondContact O-CG 3.48Å; Q15-E19 PolarHBondContact O-N 2.84Å |
| 16 | L | 58.5 | Low | 49.4 | Very low | 71 Ų | 71 | 84.9 Ų | 84.9 | 37% | 0.372 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -69.4 | -20.9 | 174.2 | -89 | 154.4 | 0 | 0 | 0 | 113.8 | L8 Q12 Q14 E19 L20 | L8-L16 HydrophobicContact CD1-CD1 3.34Å; Q12-L16 WeakPolarHBondContact O-CB 3.29Å; Q12-L16 PolarHBondContact O-N 3.08Å; Q14-L16 VanDerWaalsContact C-N 3.34Å; Q14-L16 PolarHBondContact O-N 3.34Å; L16-E19 WeakPolarHBondContact CD2-OE2 3.43Å; L16-L20 VanDerWaalsContact O-CB 3.31Å; L16-L20 WeakPolarHBondContact O-CB 3.4Å; L16-L20 PolarHBondContact O-N 3.28Å |
| 17 | Q | 53.9 | Low | 48.7 | Very low | 14 Ų | 14 | 88.8 Ų | 88.8 | 7% | 0.065 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -79.9 | -20.2 | 168.5 | -75.5 | -177 | -52.2 | 0 | 0 | 112.5 | Q13 Q14 Q15 S267 L270 A296 | Q13-Q17 WeakPolarHBondContact O-CG 3.47Å; Q13-Q17 PolarHBondContact O-N 3.24Å; Q13-Q17 VanDerWaalsContact O-N 3.15Å; Q14-Q17 CarbonylContact O-C 3.55Å; Q14-Q17 WeakPolarHBondContact O-CA 3.5Å; Q14-Q17 WeakPolarHBondContact O-CB 3.33Å; Q14-Q17 PolarHBondContact O-N 3.25Å; Q15-Q17 VanDerWaalsContact C-N 3.28Å; Q15-Q17 PolarHBondContact O-N 2.89Å; Q17-S267 PolarHBondContact NE2-OG 2.66Å; Q17-S267 VanDerWaalsContact NE2-OG 3.11Å; Q17-L270 HydrophobicContact CG-CD1 4.23Å; Q17-A296 HydrophobicContact CB-CB 4.43Å; Q17-A296 WeakPolarHBondContact O-CB 3.48Å |
| 18 | E | 54.2 | Low | 47.5 | Very low | 70 Ų | 70 | 84.7 Ų | 84.7 | 33% | 0.327 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -85.4 | -46 | 175.8 | -71.2 | 163.1 | 172.2 | 0 | 0 | 109.9 | Q14 Q15 L20 A21 D22 R295 | Q14-E18 WeakPolarHBondContact CG-OE1 3.32Å; Q14-E18 PolarHBondContact NE2-OE1 3.47Å; Q14-E18 WeakPolarHBondContact O-CG 3.25Å; Q14-E18 PolarHBondContact O-N 2.93Å; Q15-E18 CarbonylContact O-C 3.59Å; Q15-E18 WeakPolarHBondContact O-CA 3.27Å; Q15-E18 WeakPolarHBondContact O-CB 3.36Å; Q15-E18 PolarHBondContact O-N 3.28Å; E18-L20 VanDerWaalsContact C-N 3.28Å; E18-L20 PolarHBondContact O-N 2.91Å; E18-A21 WeakPolarHBondContact O-CB 3.18Å; E18-A21 PolarHBondContact O-N 2.94Å; E18-D22 PolarHBondContact O-N 2.72Å; E18-R295 IonicContact OE1-NH1 2.89Å |
| 19 | E | 57.4 | Low | 46.3 | Very low | 111 Ų | 111 | 86.8 Ų | 86.8 | 52% | 0.519 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -57.4 | -36.3 | 172.2 | -70.5 | 170.7 | 162.2 | 0 | 0 | 113.2 | Q15 L16 A21 | Q15-E19 WeakPolarHBondContact O-CG 3.48Å; Q15-E19 PolarHBondContact O-N 2.84Å; L16-E19 WeakPolarHBondContact CD2-OE2 3.43Å; E19-A21 VanDerWaalsContact C-N 3.3Å |
| 20 | L | 53.9 | Low | 45.3 | Very low | 27 Ų | 27 | 88 Ų | 88 | 14% | 0.141 | 51% | 0.506 | C | S | . | . | H | α-helix | trans | -77.4 | -14 | 177.3 | -146.1 | 68.7 | 0 | 0 | 0 | 113.4 | L16 E18 Y262 V263 Y266 | L16-L20 VanDerWaalsContact O-CB 3.31Å; L16-L20 WeakPolarHBondContact O-CB 3.4Å; L16-L20 PolarHBondContact O-N 3.28Å; E18-L20 VanDerWaalsContact C-N 3.28Å; E18-L20 PolarHBondContact O-N 2.91Å; L20-Y262 HydrophobicContact CD1-CE1 3.81Å; L20-Y262 HydrophobicContact CD2-CD1 4.32Å; L20-Y262 HydrophobicContact CD2-CE1 4Å; L20-Y262 HydrophobicContact CG-CE1 4.09Å; L20-V263 HydrophobicContact CD2-CG2 4.01Å; L20-V263 HydrophobicContact CG-CG2 4.18Å; L20-Y266 HydrophobicContact CD2-CD2 4.16Å; L20-Y266 HydrophobicContact CD2-CG 4.09Å |
| 21 | A | 48.3 | Very low | 44.2 | Very low | 14 Ų | 14 | 94.3 Ų | 94.3 | 12% | 0.116 | 52% | 0.518 | C | S | . | . | H | α-helix | trans | -86 | -45.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111 | E18 E19 Q23 L24 A296 | E18-A21 WeakPolarHBondContact O-CB 3.18Å; E18-A21 PolarHBondContact O-N 2.94Å; E19-A21 VanDerWaalsContact C-N 3.3Å; A21-Q23 VanDerWaalsContact C-N 3.3Å; A21-Q23 PolarHBondContact O-N 3.26Å; A21-L24 PolarHBondContact O-N 3.46Å; A21-L24 VanDerWaalsContact O-N 3.08Å; A21-A296 HydrophobicContact CB-CB 4.46Å |
| 22 | D | 45.1 | Very low | 43.4 | Very low | 115 Ų | 115 | 95.5 Ų | 95.5 | 62% | 0.615 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -58.8 | -41.3 | -176 | -72.4 | -22.2 | 0 | 0 | 0 | 112 | E18 L24 T25 | E18-D22 PolarHBondContact O-N 2.72Å; D22-L24 PolarHBondContact O-N 2.88Å; D22-T25 PolarHBondContact O-N 2.84Å; D22-T25 PolarHBondContact O-OG1 3.41Å |
| 23 | Q | 47.5 | Very low | 42.3 | Very low | 149 Ų | 149 | 97.1 Ų | 97.1 | 70% | 0.696 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -17.6 | 178.1 | -67.3 | -176.2 | 8.3 | 0 | 0 | 114.6 | A21 | A21-Q23 VanDerWaalsContact C-N 3.3Å; A21-Q23 PolarHBondContact O-N 3.26Å |
| 24 | L | 43 | Very low | 41 | Very low | 64 Ų | 64 | 104.7 Ų | 104.7 | 34% | 0.335 | 57% | 0.569 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -101.1 | -2.6 | -174.7 | -57.4 | -174.6 | 0 | 0 | 0 | 113.7 | A21 D22 E26 D259 V263 | A21-L24 PolarHBondContact O-N 3.46Å; A21-L24 VanDerWaalsContact O-N 3.08Å; D22-L24 PolarHBondContact O-N 2.88Å; L24-E26 VanDerWaalsContact C-N 3.31Å; L24-E26 PolarHBondContact O-N 3.29Å; L24-D259 HydrophobicContact CD1-CB 3.83Å; L24-D259 HydrophobicContact CD2-CB 3.68Å; L24-D259 HydrophobicContact CG-CB 4.35Å; L24-V263 HydrophobicContact CD1-CG2 3.53Å |
| 25 | T | 41.4 | Very low | 39.7 | Very low | 103 Ų | 103 | 105 Ų | 105 | 63% | 0.632 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.6 | -13.6 | -174.7 | 58.4 | 0 | 0 | 0 | 0 | 114.4 | D22 | D22-T25 PolarHBondContact O-N 2.84Å; D22-T25 PolarHBondContact O-OG1 3.41Å |
| 26 | E | 35.9 | Very low | 38.4 | Very low | 186 Ų | 186 | 111 Ų | 111 | 87% | 0.869 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.4 | -12.7 | -175.8 | -61.7 | -161.2 | 133.4 | 0 | 0 | 115.2 | L24 | L24-E26 VanDerWaalsContact C-N 3.31Å; L24-E26 PolarHBondContact O-N 3.29Å |
| 27 | S | 30.3 | Very low | 36.9 | Very low | 112 Ų | 112 | 114.5 Ų | 114.5 | 78% | 0.783 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -121.7 | 85.3 | -169 | -80 | 0 | 0 | 0 | 0 | 116.4 | ||
| 28 | G | 28.6 | Very low | 35.6 | Very low | 85 Ų | 85 | 117.3 Ų | 117.3 | 88% | 0.876 | 66% | 0.659 | S | S | * | * | trans | 81 | 143 | 143.4 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 29 | G | 25.9 | Very low | 34.2 | Very low | 84 Ų | 84 | 118.2 Ų | 118.2 | 87% | 0.866 | 69% | 0.687 | S | S | * | * | trans | -153.6 | 157 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 30 | G | 26.5 | Very low | 32.7 | Very low | 74 Ų | 74 | 116.3 Ų | 116.3 | 76% | 0.763 | 70% | 0.697 | S | S | * | * | trans | 89.6 | 163.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 31 | R | 25.9 | Very low | 31.5 | Very low | 231 Ų | 231 | 120.6 Ų | 120.6 | 87% | 0.872 | 73% | 0.729 | S | S | * | * | cis | -171.9 | 158.1 | -12.3 | -131.3 | 175.4 | -178.9 | 178.7 | 1 | 108.5 | ||||
| 32 | R | 26.2 | Very low | 30.5 | Very low | 225 Ų | 225 | 129.5 Ų | 129.5 | 85% | 0.849 | 77% | 0.769 | S | S | * | * | trans | 73.2 | 157.5 | 166.6 | -67.2 | 179 | -178.6 | 172.6 | -0.1 | 117.3 | ||||
| 33 | D | 26.1 | Very low | 29.6 | Very low | 122 Ų | 122 | 135.6 Ų | 135.6 | 65% | 0.652 | 78% | 0.783 | S | S | * | * | cis | -167.4 | 163 | -24 | -170 | 20.9 | 0 | 0 | 0 | 111.5 | ||||
| 34 | Q | 26.1 | Very low | 28.5 | Very low | 172 Ų | 172 | 140.6 Ų | 140.6 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | trans | -1.1 | 143 | 170.7 | -75.7 | 161 | 89.7 | 0 | 0 | 124.8 | ||||
| 35 | G | 25.2 | Very low | 27.8 | Very low | 70 Ų | 70 | 142 Ų | 142 | 72% | 0.722 | 82% | 0.816 | S | S | * | * | 140.6 | 112.3 | 111.4 | 0 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 36 | R | 26.6 | Very low | 27.6 | Very low | 232 Ų | 232 | 142.1 Ų | 142.1 | 88% | 0.875 | 82% | 0.819 | S | S | * | * | trans | 59.4 | 161.2 | 146.1 | -66 | -173.2 | 178.1 | 174.7 | 2.2 | 119.8 | ||||
| 37 | D | 27.1 | Very low | 27.2 | Very low | 145 Ų | 145 | 142.5 Ų | 142.5 | 78% | 0.775 | 82% | 0.821 | S | S | * | * | cis | -166.1 | 172.3 | -21.4 | -89.6 | -19.3 | 0 | 0 | 0 | 106.2 | ||||
| 38 | G | 26.1 | Very low | 27 | Very low | 73 Ų | 73 | 147.5 Ų | 147.5 | 75% | 0.753 | 82% | 0.824 | S | S | * | * | cis | 165.9 | 136.8 | -3.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 39 | G | 25.8 | Very low | 26.9 | Very low | 89 Ų | 89 | 149.6 Ų | 149.6 | 92% | 0.918 | 82% | 0.823 | S | S | * | * | trans | 79.7 | 168.4 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 40 | G | 25.6 | Very low | 27.2 | Very low | 70 Ų | 70 | 156.9 Ų | 156.9 | 72% | 0.722 | 83% | 0.827 | S | S | * | * | cis | 149.1 | 144.5 | -7.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 41 | S | 27.5 | Very low | 27.5 | Very low | 118 Ų | 118 | 158.4 Ų | 158.4 | 83% | 0.825 | 83% | 0.825 | S | S | * | * | cis | -166.9 | 161.1 | -5.7 | -81.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 42 | Q | 27.2 | Very low | 28.2 | Very low | 201 Ų | 201 | 153 Ų | 153 | 94% | 0.939 | 82% | 0.821 | S | S | * | * | trans | 76.5 | 162.6 | 163.2 | -69.7 | -172.1 | 4.1 | 0 | 0 | 121.6 | ||||
| 43 | R | 27.3 | Very low | 28.9 | Very low | 243 Ų | 243 | 147.1 Ų | 147.1 | 92% | 0.917 | 81% | 0.806 | S | S | * | * | trans | -114.2 | 154.5 | -166.1 | -55.7 | 167.3 | 173.2 | 165.5 | -5 | 112 | ||||
| 44 | R | 24.8 | Very low | 30.1 | Very low | 254 Ų | 254 | 147.3 Ų | 147.3 | 96% | 0.958 | 81% | 0.806 | S | S | * | * | trans | -167 | 148.8 | 138.2 | -110.8 | 169.2 | -169.9 | -173.5 | 3.3 | 112.7 | ||||
| 45 | A | 27.9 | Very low | 30.7 | Very low | 93 Ų | 93 | 147.8 Ų | 147.8 | 77% | 0.769 | 80% | 0.801 | S | S | * | * | trans | -168.4 | 168.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 46 | P | 36.3 | Very low | 31.6 | Very low | 106 Ų | 106 | 150.9 Ų | 150.9 | 69% | 0.688 | 80% | 0.797 | S | S | * | * | cis | -116 | -176.6 | -23.2 | 38.8 | -25.8 | 0 | 0 | 0 | 111.3 | ||||
| 47 | Q | 27.1 | Very low | 32.6 | Very low | 194 Ų | 194 | 146.7 Ų | 146.7 | 91% | 0.907 | 79% | 0.791 | S | S | * | * | trans | -131.7 | 139.2 | 160.4 | -93.4 | 179.3 | -39.2 | 0 | 0 | 110.6 | ||||
| 48 | Y | 26.1 | Very low | 33.5 | Very low | 216 Ų | 216 | 146.6 Ų | 146.6 | 85% | 0.847 | 79% | 0.789 | S | S | * | * | trans | -88.1 | 141.6 | 179.6 | -77.6 | -109.5 | 0 | 0 | 0 | 110.7 | ||||
| 49 | C | 28.2 | Very low | 34.4 | Very low | 129 Ų | 129 | 150.5 Ų | 150.5 | 87% | 0.872 | 79% | 0.786 | S | S | * | * | trans | -125.2 | 138.3 | 156.9 | -71.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 50 | Y | 31 | Very low | 35.1 | Very low | 238 Ų | 238 | 152.1 Ų | 152.1 | 93% | 0.933 | 78% | 0.778 | S | S | * | * | trans | -69.2 | 147.5 | 178.3 | -95 | -117.2 | 0 | 0 | 0 | 111.5 | ||||
| 51 | S | 32.7 | Very low | 35.8 | Very low | 105 Ų | 105 | 160.3 Ų | 160.3 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | trans | -120.6 | 145.9 | 160 | -167.8 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 52 | P | 42.3 | Very low | 36.6 | Very low | 119 Ų | 119 | 166.6 Ų | 166.6 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | trans | -63.4 | 144.3 | -173.3 | -24.4 | 35.7 | 0 | 0 | 0 | 114.5 | I54 | P52-I54 PolarHBondContact O-N 2.92Š| ||
| 53 | D | 39.6 | Very low | 37 | Very low | 100 Ų | 100 | 160.1 Ų | 160.1 | 54% | 0.535 | 78% | 0.78 | S | S | . | * | trans | -84.7 | 112.2 | -173.2 | -176.2 | 5.4 | 0 | 0 | 0 | 112.8 | Y55 H56 | D53-Y55 PolarHBondContact O-N 3.37Å; D53-Y55 WeakPolarHBondContact OD1-CB 3.31Å; D53-Y55 VanDerWaalsContact OD1-CD2 3.3Å; D53-Y55 WeakPolarHBondContact OD1-CD2 3.34Å; D53-Y55 PolarHBondContact OD1-N 3.38Å; D53-H56 PolarHBondContact O-N 3.39Å | ||
| 54 | I | 50.6 | Low | 37.9 | Very low | 127 Ų | 127 | 158.2 Ų | 158.2 | 65% | 0.651 | 78% | 0.778 | S | S | * | * | G | 310 helix | trans | -60.8 | -27.8 | 179.6 | -64.1 | 175.9 | 0 | 0 | 0 | 111.9 | P52 H56 L57 | P52-I54 PolarHBondContact O-N 2.92Å; I54-H56 PolarHBondContact O-N 3.45Å; I54-L57 PolarHBondContact O-N 3.19Å; I54-L57 VanDerWaalsContact O-N 3.14Å |
| 55 | Y | 39.8 | Very low | 38.6 | Very low | 182 Ų | 182 | 154.9 Ų | 154.9 | 71% | 0.714 | 77% | 0.773 | S | S | * | * | G | 310 helix | trans | -61 | -20.4 | 179.7 | -76.6 | -91 | 0 | 0 | 0 | 113.4 | D53 | D53-Y55 PolarHBondContact O-N 3.37Å; D53-Y55 WeakPolarHBondContact OD1-CB 3.31Å; D53-Y55 VanDerWaalsContact OD1-CD2 3.3Å; D53-Y55 WeakPolarHBondContact OD1-CD2 3.34Å; D53-Y55 PolarHBondContact OD1-N 3.38Å |
| 56 | H | 44.8 | Very low | 39.3 | Very low | 135 Ų | 135 | 159.1 Ų | 159.1 | 63% | 0.625 | 78% | 0.778 | S | S | * | * | G | 310 helix | trans | -78.2 | -27.1 | 178.1 | -111 | -89.9 | 0 | 0 | 0 | 114.3 | D53 I54 | D53-H56 PolarHBondContact O-N 3.39Å; I54-H56 PolarHBondContact O-N 3.45Å |
| 57 | L | 47.1 | Very low | 39.8 | Very low | 143 Ų | 143 | 163.8 Ų | 163.8 | 75% | 0.749 | 79% | 0.79 | S | S | * | * | G | 310 helix | trans | -72.9 | -30.6 | 177.7 | -82.1 | 163.9 | 0 | 0 | 0 | 112.7 | I54 K59 | I54-L57 PolarHBondContact O-N 3.19Å; I54-L57 VanDerWaalsContact O-N 3.14Å; L57-K59 PolarHBondContact O-N 2.69Å |
| 58 | L | 46.5 | Very low | 41.2 | Very low | 143 Ų | 143 | 157.4 Ų | 157.4 | 75% | 0.749 | 78% | 0.776 | S | S | * | * | G | 310 helix | trans | -72.7 | -7.3 | -179.7 | -63.3 | 174.5 | 0 | 0 | 0 | 113.8 | ||
| 59 | K | 43.3 | Very low | 42.9 | Very low | 156 Ų | 156 | 155.6 Ų | 155.6 | 68% | 0.678 | 77% | 0.773 | S | S | * | * | G | 310 helix | trans | -93.7 | -12.6 | -167.6 | -148.1 | 168.2 | -172.7 | 172.9 | 0 | 114.8 | L57 | L57-K59 PolarHBondContact O-N 2.69Š|
| 60 | T | 41.5 | Very low | 45.1 | Very low | 123 Ų | 123 | 154.7 Ų | 154.7 | 76% | 0.755 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -107.6 | 47.3 | -169.9 | 44.4 | 0 | 0 | 0 | 0 | 114.7 | ||
| 61 | R | 41.1 | Very low | 47.5 | Very low | 242 Ų | 242 | 146.6 Ų | 146.6 | 91% | 0.913 | 73% | 0.731 | S | S | * | * | trans | -147.1 | 43.2 | 165.1 | -131.4 | -177.8 | -166.2 | -151.7 | 4.5 | 115.7 | G63 | R61-G63 PolarHBondContact O-N 3.45Š| ||
| 62 | R | 43.4 | Very low | 49.9 | Very low | 249 Ų | 249 | 141.9 Ų | 141.9 | 94% | 0.94 | 70% | 0.697 | S | S | * | * | trans | -77.9 | 62.1 | 168.3 | -66.1 | -170 | 82.1 | 179.3 | 6.7 | 112.4 | ||||
| 63 | G | 36.3 | Very low | 51.8 | Low | 65 Ų | 65 | 142.1 Ų | 142.1 | 67% | 0.67 | 69% | 0.688 | S | S | * | * | trans | -78.5 | 157.8 | 153.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | R61 E65 | R61-G63 PolarHBondContact O-N 3.45Å; G63-E65 PolarHBondContact O-N 2.88Å | ||
| 64 | K | 46.6 | Very low | 53.9 | Low | 203 Ų | 203 | 144.2 Ų | 144.2 | 88% | 0.883 | 70% | 0.697 | S | S | * | * | trans | -72.6 | 119.3 | 179.2 | -64 | 172.3 | -179.8 | 174.7 | 0 | 110.2 | ||||
| 65 | E | 39.2 | Very low | 55.6 | Low | 184 Ų | 184 | 140.6 Ų | 140.6 | 86% | 0.86 | 68% | 0.679 | S | S | * | * | trans | -159.3 | -177.6 | 155.2 | -121.7 | 128.1 | -129.1 | 0 | 0 | 111.8 | G63 | G63-E65 PolarHBondContact O-N 2.88Š| ||
| 66 | Q | 41.9 | Very low | 57.9 | Low | 183 Ų | 183 | 135.3 Ų | 135.3 | 86% | 0.855 | 67% | 0.666 | S | S | * | * | trans | -73.4 | 151.9 | -163.8 | -55.7 | 176.8 | 21.7 | 0 | 0 | 112.5 | G68 | Q66-G68 PolarHBondContact O-N 3.32Š| ||
| 67 | H | 46.1 | Very low | 59.8 | Low | 203 Ų | 203 | 132.2 Ų | 132.2 | 94% | 0.94 | 66% | 0.658 | S | S | * | * | trans | -78.9 | 56.5 | 176.4 | -73.1 | 39.8 | 0 | 0 | 0 | 111.9 | ||||
| 68 | G | 58 | Low | 61.7 | Low | 60 Ų | 60 | 131.4 Ų | 131.4 | 62% | 0.619 | 65% | 0.651 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 162.3 | 162.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q66 | Q66-G68 PolarHBondContact O-N 3.32Š|
| 69 | F | 61.1 | Low | 63.7 | Low | 178 Ų | 178 | 129 Ų | 129 | 78% | 0.781 | 64% | 0.638 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 146.5 | 162.6 | -165.8 | -96.5 | 0 | 0 | 0 | 108.7 | D71 | F69-D71 PolarHBondContact O-N 3.25Š|
| 70 | I | 75 | Confident | 65.8 | Low | 111 Ų | 111 | 121.6 Ų | 121.6 | 57% | 0.569 | 61% | 0.606 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 119.3 | 176.8 | -62.2 | 175.4 | 0 | 0 | 0 | 107.8 | L72 L75 | I70-L72 PolarHBondContact O-N 3.33Å; I70-L75 HydrophobicContact CG2-CD2 4.12Å; I70-L75 HydrophobicContact CG2-CG 4.43Å |
| 71 | D | 81.5 | Confident | 68 | Low | 68 Ų | 68 | 118 Ų | 118 | 36% | 0.364 | 58% | 0.581 | S | S | . | * | P | Polyproline II helix | trans | -62.5 | 131.8 | 176.2 | -155.1 | -38.5 | 0 | 0 | 0 | 110.7 | F69 E73 M74 W99 | F69-D71 PolarHBondContact O-N 3.25Å; D71-E73 PolarHBondContact O-N 2.85Å; D71-E73 PolarHBondContact OD1-N 2.85Å; D71-M74 HydrophobicContact CB-CE 3.91Å; D71-M74 HydrophobicContact CB-CG 4.32Å; D71-M74 WeakPolarHBondContact O-CB 3.15Å; D71-M74 PolarHBondContact O-N 3.47Å; D71-M74 VanDerWaalsContact O-N 3.08Å; D71-W99 PolarHBondContact OD1-NE1 3.33Å |
| 72 | L | 82 | Confident | 70.2 | Confident | 5 Ų | 5 | 109.7 Ų | 109.7 | 3% | 0.026 | 56% | 0.558 | C | S | . | * | G | 310 helix | trans | -67.9 | -24.3 | -178.1 | -61.2 | -174.7 | 0 | 0 | 0 | 111.9 | I70 M74 L75 I83 L84 W99 L102 | I70-L72 PolarHBondContact O-N 3.33Å; L72-M74 PolarHBondContact O-N 3.17Å; L72-L75 HydrophobicContact CD2-CD1 3.83Å; L72-L75 WeakPolarHBondContact O-CB 3.35Å; L72-L75 PolarHBondContact O-N 3.39Å; L72-L75 VanDerWaalsContact O-N 3.11Å; L72-I83 HydrophobicContact CD1-CG2 4.43Å; L72-I83 HydrophobicContact CD2-CD1 3.85Å; L72-I83 HydrophobicContact CD2-CG2 4.35Å; L72-L84 HydrophobicContact CD1-CD1 4.46Å; L72-L84 HydrophobicContact CD1-CD2 3.79Å; L72-L84 HydrophobicContact CD1-CG 4Å; L72-W99 HydrophobicContact CB-CD2 4.18Å; L72-W99 HydrophobicContact CB-CG 4.37Å; L72-W99 HydrophobicContact CB-CZ2 4.32Å; L72-W99 HydrophobicContact CD1-CD2 3.9Å; L72-W99 HydrophobicContact CD1-CE3 3.71Å; L72-W99 HydrophobicContact CD1-CH2 3.84Å; L72-W99 HydrophobicContact CD1-CZ2 4.03Å; L72-W99 HydrophobicContact CD1-CZ3 3.68Å; L72-W99 HydrophobicContact CG-CD2 4.17Å; L72-W99 HydrophobicContact CG-CE3 4.41Å; L72-W99 HydrophobicContact CG-CH2 4.02Å; L72-W99 HydrophobicContact CG-CZ2 3.76Å; L72-W99 HydrophobicContact CG-CZ3 4.35Å; L72-L102 HydrophobicContact CB-CD1 3.84Å |
| 73 | E | 82 | Confident | 72.5 | Confident | 124 Ų | 124 | 101.8 Ų | 101.8 | 58% | 0.579 | 53% | 0.533 | S | S | * | . | G | 310 helix | trans | -68.8 | -16.7 | 173.1 | -74 | 175.3 | -157.7 | 0 | 0 | 113.3 | D71 L75 | D71-E73 PolarHBondContact O-N 2.85Å; D71-E73 PolarHBondContact OD1-N 2.85Å; E73-L75 VanDerWaalsContact C-N 3.34Å |
| 74 | M | 83.6 | Confident | 75.1 | Confident | 144 Ų | 144 | 98.9 Ų | 98.9 | 71% | 0.709 | 50% | 0.503 | S | S | * | . | G | 310 helix | trans | -87.5 | -0.6 | 171.7 | -65.1 | -165.8 | -65.8 | 0 | 0 | 113.6 | D71 L72 | D71-M74 HydrophobicContact CB-CE 3.91Å; D71-M74 HydrophobicContact CB-CG 4.32Å; D71-M74 WeakPolarHBondContact O-CB 3.15Å; D71-M74 PolarHBondContact O-N 3.47Å; D71-M74 VanDerWaalsContact O-N 3.08Å; L72-M74 PolarHBondContact O-N 3.17Å |
| 75 | L | 86.8 | Confident | 77.1 | Confident | 52 Ų | 52 | 92.1 Ų | 92.1 | 27% | 0.272 | 48% | 0.481 | S | S | . | . | S | Bend | trans | -99.6 | 155.9 | 175.5 | -58.6 | -179.9 | 0 | 0 | 0 | 110.7 | I70 L72 E73 L79 I83 | I70-L75 HydrophobicContact CG2-CD2 4.12Å; I70-L75 HydrophobicContact CG2-CG 4.43Å; L72-L75 HydrophobicContact CD2-CD1 3.83Å; L72-L75 WeakPolarHBondContact O-CB 3.35Å; L72-L75 PolarHBondContact O-N 3.39Å; L72-L75 VanDerWaalsContact O-N 3.11Å; E73-L75 VanDerWaalsContact C-N 3.34Å; L75-L79 HydrophobicContact CB-CB 4.45Å; L75-I83 HydrophobicContact CD1-CD1 3.87Å |
| 76 | P | 88.6 | Confident | 79.6 | Confident | 71 Ų | 71 | 92.7 Ų | 92.7 | 46% | 0.461 | 48% | 0.476 | S | S | . | . | trans | -49.1 | 133.8 | 161.1 | -25.8 | 33.8 | 0 | 0 | 0 | 110.7 | E78 L79 G80 | P76-E78 VanDerWaalsContact CB-OE2 3.27Å; P76-E78 WeakPolarHBondContact CB-OE2 3.43Å; P76-E78 PolarHBondContact O-N 2.82Å; P76-E78 VanDerWaalsContact O-N 3.11Å; P76-L79 HydrophobicContact CB-CG 4.43Å; P76-L79 HydrophobicContact CG-CD1 4.27Å; P76-L79 WeakPolarHBondContact O-CB 3.18Å; P76-L79 PolarHBondContact O-N 3.35Å; P76-G80 PolarHBondContact O-N 3.23Å | ||
| 77 | P | 84.6 | Confident | 81.9 | Confident | 70 Ų | 70 | 86.6 Ų | 86.6 | 46% | 0.455 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -61.3 | -27.4 | -171.4 | 25 | -34.7 | 0 | 0 | 0 | 112.5 | L79 G80 I81 L102 | P77-L79 VanDerWaalsContact C-N 3.29Å; P77-L79 PolarHBondContact O-N 3.2Å; P77-G80 PolarHBondContact O-N 2.97Å; P77-I81 WeakPolarHBondContact O-CB 3.18Å; P77-I81 VanDerWaalsContact O-CG1 3.29Å; P77-I81 WeakPolarHBondContact O-CG1 3.34Å; P77-I81 PolarHBondContact O-N 3.34Å; P77-L102 HydrophobicContact CB-CD2 4.09Å |
| 78 | E | 87.1 | Confident | 84 | Confident | 126 Ų | 126 | 80.7 Ų | 80.7 | 59% | 0.589 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -62.6 | -35.9 | 174.7 | -52.1 | 79.3 | -175.3 | 0 | 0 | 111.9 | P76 T82 | P76-E78 VanDerWaalsContact CB-OE2 3.27Å; P76-E78 WeakPolarHBondContact CB-OE2 3.43Å; P76-E78 PolarHBondContact O-N 2.82Å; P76-E78 VanDerWaalsContact O-N 3.11Å; E78-T82 VanDerWaalsContact O-CB 3.27Å; E78-T82 WeakPolarHBondContact O-CB 3.2Å; E78-T82 PolarHBondContact O-N 2.73Å; E78-T82 PolarHBondContact O-OG1 3.41Å |
| 79 | L | 87.8 | Confident | 85.5 | Confident | 92 Ų | 92 | 78.4 Ų | 78.4 | 48% | 0.482 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -76.1 | -39.6 | 174.9 | -62.2 | -176.1 | 0 | 0 | 0 | 111.6 | L75 P76 P77 T82 I83 | L75-L79 HydrophobicContact CB-CB 4.45Å; P76-L79 HydrophobicContact CB-CG 4.43Å; P76-L79 HydrophobicContact CG-CD1 4.27Å; P76-L79 WeakPolarHBondContact O-CB 3.18Å; P76-L79 PolarHBondContact O-N 3.35Å; P77-L79 VanDerWaalsContact C-N 3.29Å; P77-L79 PolarHBondContact O-N 3.2Å; L79-T82 PolarHBondContact O-N 3.18Å; L79-I83 WeakPolarHBondContact O-CD1 3.44Å; L79-I83 VanDerWaalsContact O-CG1 3.27Å; L79-I83 WeakPolarHBondContact O-CG1 3.48Å; L79-I83 PolarHBondContact O-N 3.11Å |
| 80 | G | 87.6 | Confident | 87 | Confident | 0 Ų | 0 | 74.6 Ų | 74.6 | 0% | 0 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -57.6 | -51.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | P76 P77 T82 I83 L84 | P76-G80 PolarHBondContact O-N 3.23Å; P77-G80 PolarHBondContact O-N 2.97Å; G80-T82 PolarHBondContact O-N 2.57Å; G80-I83 PolarHBondContact O-N 3.47Å; G80-L84 WeakPolarHBondContact O-CG 3.49Å; G80-L84 PolarHBondContact O-N 3.43Å |
| 81 | I | 87.4 | Confident | 87.8 | Confident | 47 Ų | 47 | 72.6 Ų | 72.6 | 24% | 0.241 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -58.3 | -46.2 | 173.7 | -71.3 | 169.8 | 0 | 0 | 0 | 110.6 | P77 I83 L84 S85 L102 D105 L108 | P77-I81 WeakPolarHBondContact O-CB 3.18Å; P77-I81 VanDerWaalsContact O-CG1 3.29Å; P77-I81 WeakPolarHBondContact O-CG1 3.34Å; P77-I81 PolarHBondContact O-N 3.34Å; I81-I83 VanDerWaalsContact C-N 3.32Å; I81-I83 PolarHBondContact O-N 2.95Å; I81-L84 PolarHBondContact O-N 2.92Å; I81-S85 WeakPolarHBondContact O-CB 3.34Å; I81-S85 PolarHBondContact O-N 3.12Å; I81-L102 HydrophobicContact CG1-CD2 4.21Å; I81-D105 HydrophobicContact CD1-CB 4.37Å; I81-D105 HydrophobicContact CG1-CB 4.45Å; I81-L108 HydrophobicContact CB-CD2 4.44Å; I81-L108 HydrophobicContact CG2-CD2 3.68Å; I81-L108 HydrophobicContact CG2-CG 4.07Å; I81-L108 WeakPolarHBondContact O-CD2 3.26Å |
| 82 | T | 88.5 | Confident | 88.3 | Confident | 69 Ų | 69 | 69.4 Ų | 69.4 | 42% | 0.423 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -58.9 | -43 | 178.5 | -62.4 | 0 | 0 | 0 | 0 | 111.6 | E78 L79 G80 S85 Y86 | E78-T82 VanDerWaalsContact O-CB 3.27Å; E78-T82 WeakPolarHBondContact O-CB 3.2Å; E78-T82 PolarHBondContact O-N 2.73Å; E78-T82 PolarHBondContact O-OG1 3.41Å; L79-T82 PolarHBondContact O-N 3.18Å; G80-T82 PolarHBondContact O-N 2.57Å; T82-S85 PolarHBondContact O-N 2.88Å; T82-S85 PolarHBondContact O-OG 3.08Å; T82-Y86 HydrophobicContact CG2-CE2 4.34Å; T82-Y86 WeakPolarHBondContact O-CD2 3.29Å; T82-Y86 VanDerWaalsContact O-CE2 3.31Å; T82-Y86 WeakPolarHBondContact O-CE2 3.3Å |
| 83 | I | 90.4 | Very high | 88.7 | Confident | 83 Ų | 83 | 70.9 Ų | 70.9 | 43% | 0.426 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -64.4 | -48.4 | 176.8 | -69.2 | 162.3 | 0 | 0 | 0 | 111.1 | L72 L75 L79 G80 I81 S85 Y86 | L72-I83 HydrophobicContact CD1-CG2 4.43Å; L72-I83 HydrophobicContact CD2-CD1 3.85Å; L72-I83 HydrophobicContact CD2-CG2 4.35Å; L75-I83 HydrophobicContact CD1-CD1 3.87Å; L79-I83 WeakPolarHBondContact O-CD1 3.44Å; L79-I83 VanDerWaalsContact O-CG1 3.27Å; L79-I83 WeakPolarHBondContact O-CG1 3.48Å; L79-I83 PolarHBondContact O-N 3.11Å; G80-I83 PolarHBondContact O-N 3.47Å; I81-I83 VanDerWaalsContact C-N 3.32Å; I81-I83 PolarHBondContact O-N 2.95Å; I83-S85 PolarHBondContact O-N 2.92Å; I83-Y86 PolarHBondContact O-N 3.2Å |
| 84 | L | 90.6 | Very high | 89.1 | Confident | 4 Ų | 4 | 70.2 Ų | 70.2 | 2% | 0.021 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -67.2 | -23.7 | -179.4 | -66 | -179.7 | 0 | 0 | 0 | 113.2 | L72 G80 I81 Y86 L87 L92 A95 W99 L102 L108 | L72-L84 HydrophobicContact CD1-CD1 4.46Å; L72-L84 HydrophobicContact CD1-CD2 3.79Å; L72-L84 HydrophobicContact CD1-CG 4Å; G80-L84 WeakPolarHBondContact O-CG 3.49Å; G80-L84 PolarHBondContact O-N 3.43Å; I81-L84 PolarHBondContact O-N 2.92Å; L84-Y86 PolarHBondContact O-N 3.39Å; L84-Y86 VanDerWaalsContact O-N 3.16Å; L84-L87 HydrophobicContact CD2-CD1 3.6Å; L84-L87 WeakPolarHBondContact O-CB 3.34Å; L84-L87 PolarHBondContact O-N 2.97Å; L84-L92 HydrophobicContact CB-CD1 4.06Å; L84-L92 HydrophobicContact CD1-CD1 4.38Å; L84-A95 HydrophobicContact CD2-CB 3.78Å; L84-W99 HydrophobicContact CD2-CE3 4.19Å; L84-W99 HydrophobicContact CD2-CZ3 4.27Å; L84-L102 HydrophobicContact CD1-CB 3.68Å; L84-L108 HydrophobicContact CB-CD1 3.66Å; L84-L108 HydrophobicContact CB-CD2 4.41Å; L84-L108 HydrophobicContact CD1-CD1 4.1Å |
| 85 | S | 90.3 | Very high | 89.4 | Confident | 61 Ų | 61 | 63.8 Ų | 63.8 | 43% | 0.427 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -16.2 | 178.6 | 78.3 | 0 | 0 | 0 | 0 | 114.8 | I81 T82 I83 | I81-S85 WeakPolarHBondContact O-CB 3.34Å; I81-S85 PolarHBondContact O-N 3.12Å; T82-S85 PolarHBondContact O-N 2.88Å; T82-S85 PolarHBondContact O-OG 3.08Å; I83-S85 PolarHBondContact O-N 2.92Å |
| 86 | Y | 90.1 | Very high | 89.5 | Confident | 196 Ų | 196 | 61.4 Ų | 61.4 | 77% | 0.769 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | -7.6 | 174.4 | -65.7 | -76.8 | 0 | 0 | 0 | 113.9 | T82 I83 L84 | T82-Y86 HydrophobicContact CG2-CE2 4.34Å; T82-Y86 WeakPolarHBondContact O-CD2 3.29Å; T82-Y86 VanDerWaalsContact O-CE2 3.31Å; T82-Y86 WeakPolarHBondContact O-CE2 3.3Å; I83-Y86 PolarHBondContact O-N 3.2Å; L84-Y86 PolarHBondContact O-N 3.39Å; L84-Y86 VanDerWaalsContact O-N 3.16Å |
| 87 | L | 90.8 | Very high | 89.5 | Confident | 54 Ų | 54 | 62.9 Ų | 62.9 | 28% | 0.283 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -78.8 | 152.5 | 177.6 | -60 | -176 | 0 | 0 | 0 | 111.6 | L84 D91 L92 A95 | L84-L87 HydrophobicContact CD2-CD1 3.6Å; L84-L87 WeakPolarHBondContact O-CB 3.34Å; L84-L87 PolarHBondContact O-N 2.97Å; L87-D91 HydrophobicContact CB-CB 4.03Å; L87-D91 HydrophobicContact CD1-CB 4.3Å; L87-D91 HydrophobicContact CD2-CB 4.16Å; L87-D91 HydrophobicContact CG-CB 4.39Å; L87-L92 HydrophobicContact CB-CB 4.4Å; L87-A95 HydrophobicContact CD1-CB 3.93Å |
| 88 | N | 90.6 | Very high | 89.7 | Confident | 80 Ų | 80 | 64 Ų | 64 | 43% | 0.428 | 35% | 0.349 | S | S | . | . | trans | -79.6 | 168.8 | 164.3 | 66.4 | 68.7 | 0 | 0 | 0 | 110.4 | T90 D91 L92 | N88-T90 VanDerWaalsContact C-N 3.26Å; N88-T90 PolarHBondContact O-N 3.27Å; N88-T90 WeakPolarHBondContact OD1-CA 3.36Å; N88-T90 VanDerWaalsContact OD1-CB 3.29Å; N88-T90 WeakPolarHBondContact OD1-CB 3.49Å; N88-T90 PolarHBondContact OD1-N 3.04Å; N88-D91 PolarHBondContact ND2-OD2 2.91Å; N88-D91 PolarHBondContact O-N 3.16Å; N88-D91 PolarHBondContact OD1-N 2.83Å; N88-D91 VanDerWaalsContact OD1-N 3.1Å; N88-L92 WeakPolarHBondContact O-CB 3.29Å; N88-L92 PolarHBondContact O-N 3.43Å | ||
| 89 | A | 90.3 | Very high | 89.8 | Confident | 11 Ų | 11 | 60 Ų | 60 | 9% | 0.091 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -63.1 | -23.6 | -176 | 0 | 0 | 0 | 0 | 0 | 115.3 | C93 W109 L112 Y137 | A89-C93 WeakPolarHBondContact O-CB 3.41Å; A89-C93 PolarHBondContact O-N 3.43Å; A89-C93 VanDerWaalsContact O-N 3.09Å; A89-C93 PolarHBondContact O-SG 2.81Å; A89-W109 HydrophobicContact CB-CH2 4.11Å; A89-W109 HydrophobicContact CB-CZ3 3.89Å; A89-L112 HydrophobicContact CB-CD1 4.18Å; A89-Y137 HydrophobicContact CB-CD1 4.05Å; A89-Y137 HydrophobicContact CB-CE1 3.38Å; A89-Y137 HydrophobicContact CB-CE2 3.91Å; A89-Y137 WeakPolarHBondContact CB-OH 3.31Å |
| 90 | T | 91.5 | Very high | 89.6 | Confident | 98 Ų | 98 | 61.8 Ų | 61.8 | 60% | 0.601 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -72.7 | -50.3 | 173.6 | -53.3 | 0 | 0 | 0 | 0 | 109.8 | N88 L92 C93 L94 | N88-T90 VanDerWaalsContact C-N 3.26Å; N88-T90 PolarHBondContact O-N 3.27Å; N88-T90 WeakPolarHBondContact OD1-CA 3.36Å; N88-T90 VanDerWaalsContact OD1-CB 3.29Å; N88-T90 WeakPolarHBondContact OD1-CB 3.49Å; N88-T90 PolarHBondContact OD1-N 3.04Å; T90-L92 VanDerWaalsContact C-N 3.31Å; T90-L92 PolarHBondContact O-N 2.88Å; T90-C93 WeakPolarHBondContact O-CB 3.49Å; T90-C93 PolarHBondContact O-N 3.4Å; T90-L94 WeakPolarHBondContact O-CG 3.4Å; T90-L94 PolarHBondContact O-N 3.02Å |
| 91 | D | 92.6 | Very high | 89.4 | Confident | 69 Ų | 69 | 68.9 Ų | 68.9 | 37% | 0.369 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -66.3 | -33.4 | 178.9 | -63.3 | -28 | 0 | 0 | 0 | 111.7 | L87 N88 L94 A95 | L87-D91 HydrophobicContact CB-CB 4.03Å; L87-D91 HydrophobicContact CD1-CB 4.3Å; L87-D91 HydrophobicContact CD2-CB 4.16Å; L87-D91 HydrophobicContact CG-CB 4.39Å; N88-D91 PolarHBondContact ND2-OD2 2.91Å; N88-D91 PolarHBondContact O-N 3.16Å; N88-D91 PolarHBondContact OD1-N 2.83Å; N88-D91 VanDerWaalsContact OD1-N 3.1Å; D91-L94 PolarHBondContact O-N 3.17Å; D91-A95 WeakPolarHBondContact O-CB 3.45Å; D91-A95 PolarHBondContact O-N 3.09Å |
| 92 | L | 92.3 | Very high | 89.3 | Confident | 1 Ų | 1 | 67.5 Ų | 67.5 | 1% | 0.005 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -69.2 | -36.5 | 172.8 | -173.7 | 62.6 | 0 | 0 | 0 | 112.3 | L84 L87 N88 T90 L94 A95 G96 L108 W109 L112 | L84-L92 HydrophobicContact CB-CD1 4.06Å; L84-L92 HydrophobicContact CD1-CD1 4.38Å; L87-L92 HydrophobicContact CB-CB 4.4Å; N88-L92 WeakPolarHBondContact O-CB 3.29Å; N88-L92 PolarHBondContact O-N 3.43Å; T90-L92 VanDerWaalsContact C-N 3.31Å; T90-L92 PolarHBondContact O-N 2.88Å; L92-L94 VanDerWaalsContact C-N 3.32Å; L92-A95 PolarHBondContact O-N 3.47Å; L92-G96 PolarHBondContact O-N 3.22Å; L92-L108 HydrophobicContact CD1-CD1 3.83Å; L92-L108 HydrophobicContact CD2-CB 4.08Å; L92-L108 HydrophobicContact CD2-CD1 4.43Å; L92-W109 HydrophobicContact CB-CZ2 4.22Å; L92-W109 HydrophobicContact CD2-CD2 4.01Å; L92-W109 HydrophobicContact CD2-CG 4.42Å; L92-W109 HydrophobicContact CD2-CH2 4.3Å; L92-W109 HydrophobicContact CD2-CZ2 3.68Å; L92-W109 HydrophobicContact CG-CZ2 3.79Å; L92-L112 HydrophobicContact CB-CD1 4.43Å; L92-L112 HydrophobicContact CD2-CD1 3.51Å |
| 93 | C | 89.9 | Confident | 89 | Confident | 36 Ų | 36 | 64.2 Ų | 64.2 | 24% | 0.243 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -62.8 | -38.3 | 170.3 | -88.3 | 0 | 0 | 0 | 0 | 112.2 | A89 T90 C97 R134 | A89-C93 WeakPolarHBondContact O-CB 3.41Å; A89-C93 PolarHBondContact O-N 3.43Å; A89-C93 VanDerWaalsContact O-N 3.09Å; A89-C93 PolarHBondContact O-SG 2.81Å; T90-C93 WeakPolarHBondContact O-CB 3.49Å; T90-C93 PolarHBondContact O-N 3.4Å; C93-C97 PolarHBondContact O-N 2.98Å; C93-C97 PolarHBondContact O-SG 2.87Å; C93-R134 PolarHBondContact SG-NH2 3.31Å; C93-R134 VanDerWaalsContact SG-NH2 3.36Å |
| 94 | L | 90.9 | Very high | 88.8 | Confident | 110 Ų | 110 | 63.8 Ų | 63.8 | 58% | 0.576 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -69.6 | -41.8 | 174.6 | -66.5 | 172.9 | 0 | 0 | 0 | 111.7 | T90 D91 L92 G96 C97 | T90-L94 WeakPolarHBondContact O-CG 3.4Å; T90-L94 PolarHBondContact O-N 3.02Å; D91-L94 PolarHBondContact O-N 3.17Å; L92-L94 VanDerWaalsContact C-N 3.32Å; L94-G96 VanDerWaalsContact C-N 3.31Å; L94-G96 PolarHBondContact O-N 3.32Å; L94-C97 WeakPolarHBondContact O-CB 3.22Å; L94-C97 PolarHBondContact O-N 3.37Å; L94-C97 VanDerWaalsContact O-N 3.09Å |
| 95 | A | 89.1 | Confident | 88.8 | Confident | 9 Ų | 9 | 65.1 Ų | 65.1 | 7% | 0.074 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -59.9 | -40.3 | 174 | 0 | 0 | 0 | 0 | 0 | 111.7 | L84 L87 D91 L92 C97 V98 W99 | L84-A95 HydrophobicContact CD2-CB 3.78Å; L87-A95 HydrophobicContact CD1-CB 3.93Å; D91-A95 WeakPolarHBondContact O-CB 3.45Å; D91-A95 PolarHBondContact O-N 3.09Å; L92-A95 PolarHBondContact O-N 3.47Å; A95-C97 PolarHBondContact O-N 3.46Å; A95-V98 PolarHBondContact O-N 3.09Å; A95-W99 HydrophobicContact CB-CE3 4.01Å; A95-W99 HydrophobicContact CB-CZ3 4.23Å; A95-W99 PolarHBondContact O-N 3.18Å |
| 96 | G | 88 | Confident | 88.8 | Confident | 3 Ų | 3 | 65.2 Ų | 65.2 | 3% | 0.031 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -15.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | L92 L94 V98 H104 | L92-G96 PolarHBondContact O-N 3.22Å; L94-G96 VanDerWaalsContact C-N 3.31Å; L94-G96 PolarHBondContact O-N 3.32Å; G96-V98 VanDerWaalsContact C-N 3.34Å; G96-H104 PolarHBondContact O-CE1 3.5Å; G96-H104 VanDerWaalsContact O-CE1 3.27Å |
| 97 | C | 89.2 | Confident | 88.9 | Confident | 102 Ų | 102 | 64.1 Ų | 64.1 | 69% | 0.689 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -17.7 | 169.2 | -65.4 | 0 | 0 | 0 | 0 | 113.2 | C93 L94 A95 | C93-C97 PolarHBondContact O-N 2.98Å; C93-C97 PolarHBondContact O-SG 2.87Å; L94-C97 WeakPolarHBondContact O-CB 3.22Å; L94-C97 PolarHBondContact O-N 3.37Å; L94-C97 VanDerWaalsContact O-N 3.09Å; A95-C97 PolarHBondContact O-N 3.46Å |
| 98 | V | 88.3 | Confident | 88.9 | Confident | 94 Ų | 94 | 62 Ų | 62 | 57% | 0.57 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102 | -57.4 | 178.2 | -176.7 | 0 | 0 | 0 | 0 | 109.7 | A95 G96 | A95-V98 PolarHBondContact O-N 3.09Å; G96-V98 VanDerWaalsContact C-N 3.34Å |
| 99 | W | 88.9 | Confident | 89.1 | Confident | 41 Ų | 41 | 58.2 Ų | 58.2 | 16% | 0.155 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -106 | 87.1 | -178.1 | -55.5 | -60.6 | 0 | 0 | 0 | 109.4 | D71 L72 L84 A95 L102 G103 | D71-W99 PolarHBondContact OD1-NE1 3.33Å; L72-W99 HydrophobicContact CB-CD2 4.18Å; L72-W99 HydrophobicContact CB-CG 4.37Å; L72-W99 HydrophobicContact CB-CZ2 4.32Å; L72-W99 HydrophobicContact CD1-CD2 3.9Å; L72-W99 HydrophobicContact CD1-CE3 3.71Å; L72-W99 HydrophobicContact CD1-CH2 3.84Å; L72-W99 HydrophobicContact CD1-CZ2 4.03Å; L72-W99 HydrophobicContact CD1-CZ3 3.68Å; L72-W99 HydrophobicContact CG-CD2 4.17Å; L72-W99 HydrophobicContact CG-CE3 4.41Å; L72-W99 HydrophobicContact CG-CH2 4.02Å; L72-W99 HydrophobicContact CG-CZ2 3.76Å; L72-W99 HydrophobicContact CG-CZ3 4.35Å; L84-W99 HydrophobicContact CD2-CE3 4.19Å; L84-W99 HydrophobicContact CD2-CZ3 4.27Å; A95-W99 HydrophobicContact CB-CE3 4.01Å; A95-W99 HydrophobicContact CB-CZ3 4.23Å; A95-W99 PolarHBondContact O-N 3.18Å; W99-L102 HydrophobicContact CB-CB 4.15Å; W99-L102 HydrophobicContact CB-CD1 4.39Å; W99-G103 PolarHBondContact O-N 3.45Å |
| 100 | Q | 84.3 | Confident | 89.3 | Confident | 130 Ų | 130 | 60 Ų | 60 | 61% | 0.607 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -63.9 | -50.2 | -168.3 | -65.9 | -169.9 | 17.4 | 0 | 0 | 112.5 | H104 | Q100-H104 WeakPolarHBondContact O-CB 3.46Å; Q100-H104 PolarHBondContact O-N 3.28Å; Q100-H104 VanDerWaalsContact O-N 3.17Å; Q100-H104 PolarHBondContact O-ND1 3.15Å |
| 101 | D | 84.1 | Confident | 89.3 | Confident | 149 Ų | 149 | 57.1 Ų | 57.1 | 80% | 0.797 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -67.6 | -40.9 | -177.6 | -67.2 | -30.3 | 0 | 0 | 0 | 112.2 | D105 | D101-D105 PolarHBondContact O-N 2.94Å |
| 102 | L | 83.9 | Confident | 89.4 | Confident | 18 Ų | 18 | 54.8 Ų | 54.8 | 9% | 0.094 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -73.1 | -43.9 | 179.8 | -63 | 173.1 | 0 | 0 | 0 | 112.1 | L72 P77 I81 L84 W99 H104 D105 L108 | L72-L102 HydrophobicContact CB-CD1 3.84Å; P77-L102 HydrophobicContact CB-CD2 4.09Å; I81-L102 HydrophobicContact CG1-CD2 4.21Å; L84-L102 HydrophobicContact CD1-CB 3.68Å; W99-L102 HydrophobicContact CB-CB 4.15Å; W99-L102 HydrophobicContact CB-CD1 4.39Å; L102-H104 VanDerWaalsContact C-N 3.34Å; L102-H104 PolarHBondContact O-N 3.14Å; L102-D105 WeakPolarHBondContact O-CB 3.45Å; L102-D105 PolarHBondContact O-N 3.29Å; L102-L108 WeakPolarHBondContact O-CD1 3.28Å |
| 103 | G | 82.3 | Confident | 89.5 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -76.1 | -17.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | W99 W109 | W99-G103 PolarHBondContact O-N 3.45Å; G103-W109 PolarHBondContact O-NE1 3.1Å |
| 104 | H | 86.1 | Confident | 89.7 | Confident | 73 Ų | 73 | 57.3 Ų | 57.3 | 34% | 0.338 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | 4.4 | 173.7 | -65 | 93.6 | 0 | 0 | 0 | 113.7 | G96 Q100 L102 E106 | G96-H104 PolarHBondContact O-CE1 3.5Å; G96-H104 VanDerWaalsContact O-CE1 3.27Å; Q100-H104 WeakPolarHBondContact O-CB 3.46Å; Q100-H104 PolarHBondContact O-N 3.28Å; Q100-H104 VanDerWaalsContact O-N 3.17Å; Q100-H104 PolarHBondContact O-ND1 3.15Å; L102-H104 VanDerWaalsContact C-N 3.34Å; L102-H104 PolarHBondContact O-N 3.14Å; H104-E106 PolarHBondContact O-N 3.25Å |
| 105 | D | 90.9 | Very high | 89.8 | Confident | 33 Ų | 33 | 55 Ų | 55 | 18% | 0.176 | 29% | 0.29 | C | S | . | . | trans | -55.2 | 131.9 | -179.8 | 170.8 | -103.4 | 0 | 0 | 0 | 113.1 | I81 D101 L102 Y107 L108 W109 | I81-D105 HydrophobicContact CD1-CB 4.37Å; I81-D105 HydrophobicContact CG1-CB 4.45Å; D101-D105 PolarHBondContact O-N 2.94Å; L102-D105 WeakPolarHBondContact O-CB 3.45Å; L102-D105 PolarHBondContact O-N 3.29Å; D105-Y107 VanDerWaalsContact C-N 3.31Å; D105-Y107 PolarHBondContact O-N 3.4Å; D105-Y107 WeakPolarHBondContact OD1-CA 3.49Å; D105-Y107 VanDerWaalsContact OD1-CB 3.25Å; D105-Y107 WeakPolarHBondContact OD1-CB 3.28Å; D105-Y107 PolarHBondContact OD1-N 2.79Å; D105-L108 HydrophobicContact CB-CD1 4.28Å; D105-L108 HydrophobicContact CB-CG 4.18Å; D105-L108 WeakPolarHBondContact O-CB 3.29Å; D105-L108 PolarHBondContact O-N 3.29Å; D105-L108 PolarHBondContact OD1-N 3.47Å; D105-W109 VanDerWaalsContact O-CD1 3.26Å; D105-W109 PolarHBondContact O-N 3.5Å | ||
| 106 | E | 91.2 | Very high | 90 | Very high | 62 Ų | 62 | 55.8 Ų | 55.8 | 29% | 0.29 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -72.3 | -22.1 | -174.1 | -78.4 | -75.4 | 132.7 | 0 | 0 | 113 | H104 Q110 S132 Y133 | H104-E106 PolarHBondContact O-N 3.25Å; E106-Q110 WeakPolarHBondContact O-CB 3.27Å; E106-Q110 PolarHBondContact O-N 3.21Å; E106-S132 VanDerWaalsContact OE1-CA 3.29Å; E106-S132 WeakPolarHBondContact OE1-CA 3.48Å; E106-S132 WeakPolarHBondContact OE1-CB 3.41Å; E106-S132 PolarHBondContact OE1-OG 3.2Å; E106-S132 WeakPolarHBondContact OE2-CA 3.39Å; E106-Y133 PolarHBondContact OE1-N 2.81Å; E106-Y133 VanDerWaalsContact OE2-CD2 3.26Å; E106-Y133 WeakPolarHBondContact OE2-CD2 3.34Å; E106-Y133 PolarHBondContact OE2-N 3.18Å |
| 107 | Y | 90.7 | Very high | 90.4 | Very high | 174 Ų | 174 | 55.6 Ų | 55.6 | 68% | 0.682 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -75.1 | -37.4 | 172.5 | -62.8 | -85.8 | 0 | 0 | 0 | 111.9 | D105 Q110 G111 | D105-Y107 VanDerWaalsContact C-N 3.31Å; D105-Y107 PolarHBondContact O-N 3.4Å; D105-Y107 WeakPolarHBondContact OD1-CA 3.49Å; D105-Y107 VanDerWaalsContact OD1-CB 3.25Å; D105-Y107 WeakPolarHBondContact OD1-CB 3.28Å; D105-Y107 PolarHBondContact OD1-N 2.79Å; Y107-Q110 PolarHBondContact O-N 3.46Å; Y107-G111 PolarHBondContact O-N 2.81Å |
| 108 | L | 92.2 | Very high | 90.6 | Very high | 8 Ų | 8 | 52.6 Ų | 52.6 | 4% | 0.042 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -58.5 | -53.3 | 170.7 | -69.4 | -176.1 | 0 | 0 | 0 | 111.3 | I81 L84 L92 L102 D105 Q110 G111 L112 | I81-L108 HydrophobicContact CB-CD2 4.44Å; I81-L108 HydrophobicContact CG2-CD2 3.68Å; I81-L108 HydrophobicContact CG2-CG 4.07Å; I81-L108 WeakPolarHBondContact O-CD2 3.26Å; L84-L108 HydrophobicContact CB-CD1 3.66Å; L84-L108 HydrophobicContact CB-CD2 4.41Å; L84-L108 HydrophobicContact CD1-CD1 4.1Å; L92-L108 HydrophobicContact CD1-CD1 3.83Å; L92-L108 HydrophobicContact CD2-CB 4.08Å; L92-L108 HydrophobicContact CD2-CD1 4.43Å; L102-L108 WeakPolarHBondContact O-CD1 3.28Å; D105-L108 HydrophobicContact CB-CD1 4.28Å; D105-L108 HydrophobicContact CB-CG 4.18Å; D105-L108 WeakPolarHBondContact O-CB 3.29Å; D105-L108 PolarHBondContact O-N 3.29Å; D105-L108 PolarHBondContact OD1-N 3.47Å; L108-Q110 VanDerWaalsContact C-N 3.3Å; L108-Q110 PolarHBondContact O-N 3.19Å; L108-G111 WeakPolarHBondContact O-CA 3.49Å; L108-G111 PolarHBondContact O-N 2.69Å; L108-G111 VanDerWaalsContact O-N 3.08Å; L108-L112 PolarHBondContact O-N 2.71Å |
| 109 | W | 94.4 | Very high | 91 | Very high | 1 Ų | 1 | 49.1 Ų | 49.1 | 0% | 0.004 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -66.5 | -32.2 | -179.7 | -72.4 | 98.7 | 0 | 0 | 0 | 112.1 | A89 L92 G103 D105 L112 C113 R134 Y137 | A89-W109 HydrophobicContact CB-CH2 4.11Å; A89-W109 HydrophobicContact CB-CZ3 3.89Å; L92-W109 HydrophobicContact CB-CZ2 4.22Å; L92-W109 HydrophobicContact CD2-CD2 4.01Å; L92-W109 HydrophobicContact CD2-CG 4.42Å; L92-W109 HydrophobicContact CD2-CH2 4.3Å; L92-W109 HydrophobicContact CD2-CZ2 3.68Å; L92-W109 HydrophobicContact CG-CZ2 3.79Å; G103-W109 PolarHBondContact O-NE1 3.1Å; D105-W109 VanDerWaalsContact O-CD1 3.26Å; D105-W109 PolarHBondContact O-N 3.5Å; W109-L112 HydrophobicContact CE3-CD1 4.31Å; W109-L112 HydrophobicContact CZ3-CD1 4.35Å; W109-C113 WeakPolarHBondContact O-CB 3.33Å; W109-C113 PolarHBondContact O-N 3.36Å; W109-C113 PolarHBondContact O-SG 2.94Å; W109-R134 HydrophobicContact CB-CB 4.25Å; W109-R134 HydrophobicContact CD2-CB 3.66Å; W109-R134 HydrophobicContact CD2-CG 3.69Å; W109-R134 HydrophobicContact CE3-CB 4.14Å; W109-R134 HydrophobicContact CE3-CG 3.99Å; W109-R134 HydrophobicContact CG-CB 3.66Å; W109-R134 HydrophobicContact CG-CG 4.22Å; W109-R134 HydrophobicContact CH2-CG 4.19Å; W109-R134 HydrophobicContact CZ2-CG 3.9Å; W109-R134 HydrophobicContact CZ3-CG 4.22Å; W109-Y137 HydrophobicContact CE3-CD2 4.29Å; W109-Y137 AromaticContact CE3-CG 3.94Å; W109-Y137 HydrophobicContact CE3-CG 3.94Å; W109-Y137 AromaticContact CZ3-CD1 3.94Å; W109-Y137 HydrophobicContact CZ3-CD1 3.94Å; W109-Y137 HydrophobicContact CZ3-CD2 4.31Å; W109-Y137 AromaticContact CZ3-CG 3.8Å; W109-Y137 HydrophobicContact CZ3-CG 3.8Å |
| 110 | Q | 93.8 | Very high | 91.2 | Very high | 49 Ų | 49 | 47.2 Ų | 47.2 | 23% | 0.229 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.7 | -44.6 | 169.1 | -174.2 | -174.8 | 114.5 | 0 | 0 | 111.7 | E106 Y107 L108 C113 K114 Y133 | E106-Q110 WeakPolarHBondContact O-CB 3.27Å; E106-Q110 PolarHBondContact O-N 3.21Å; Y107-Q110 PolarHBondContact O-N 3.46Å; L108-Q110 VanDerWaalsContact C-N 3.3Å; L108-Q110 PolarHBondContact O-N 3.19Å; Q110-C113 PolarHBondContact O-N 2.96Å; Q110-K114 VanDerWaalsContact CD-NZ 3.29Å; Q110-K114 HydrophobicContact CG-CD 3.96Å; Q110-K114 HydrophobicContact CG-CG 4.47Å; Q110-K114 WeakPolarHBondContact O-CB 3.15Å; Q110-K114 WeakPolarHBondContact O-CG 3.38Å; Q110-K114 PolarHBondContact O-N 3.2Å; Q110-Y133 HydrophobicContact CB-CD1 3.97Å; Q110-Y133 HydrophobicContact CB-CD2 3.64Å; Q110-Y133 HydrophobicContact CB-CE1 4.14Å; Q110-Y133 HydrophobicContact CB-CE2 3.83Å; Q110-Y133 HydrophobicContact CB-CG 3.73Å; Q110-Y133 HydrophobicContact CG-CD1 4.11Å; Q110-Y133 HydrophobicContact CG-CD2 4.17Å; Q110-Y133 HydrophobicContact CG-CE1 3.79Å; Q110-Y133 HydrophobicContact CG-CE2 3.86Å; Q110-Y133 HydrophobicContact CG-CG 4.3Å; Q110-Y133 VanDerWaalsContact NE2-CZ 3.33Å; Q110-Y133 PolarHBondContact NE2-OH 3.14Å |
| 111 | G | 92.7 | Very high | 91.7 | Very high | 38 Ų | 38 | 41.2 Ų | 41.2 | 39% | 0.392 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -59.6 | -47.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y107 L108 K114 S115 | Y107-G111 PolarHBondContact O-N 2.81Å; L108-G111 WeakPolarHBondContact O-CA 3.49Å; L108-G111 PolarHBondContact O-N 2.69Å; L108-G111 VanDerWaalsContact O-N 3.08Å; G111-K114 PolarHBondContact O-N 3.42Å; G111-S115 VanDerWaalsContact O-CB 3.3Å; G111-S115 WeakPolarHBondContact O-CB 3.24Å; G111-S115 PolarHBondContact O-N 2.64Å; G111-S115 PolarHBondContact O-OG 3.44Å; G111-S115 VanDerWaalsContact O-OG 3.12Å |
| 112 | L | 93.4 | Very high | 92.1 | Very high | 19 Ų | 19 | 35 Ų | 35 | 10% | 0.099 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.8 | -40.6 | 175.5 | -69.5 | -176 | 0 | 0 | 0 | 113 | A89 L92 L108 W109 S115 T116 Y137 | A89-L112 HydrophobicContact CB-CD1 4.18Å; L92-L112 HydrophobicContact CB-CD1 4.43Å; L92-L112 HydrophobicContact CD2-CD1 3.51Å; L108-L112 PolarHBondContact O-N 2.71Å; W109-L112 HydrophobicContact CE3-CD1 4.31Å; W109-L112 HydrophobicContact CZ3-CD1 4.35Å; L112-S115 PolarHBondContact O-OG 3.23Å; L112-T116 WeakPolarHBondContact O-CB 3.44Å; L112-T116 PolarHBondContact O-N 3.15Å; L112-T116 PolarHBondContact O-OG1 2.79Å; L112-Y137 HydrophobicContact CB-CD2 4.01Å; L112-Y137 HydrophobicContact CB-CE2 4Å |
| 113 | C | 94.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -58.4 | -53.4 | 173.8 | -74.7 | 0 | 0 | 0 | 0 | 110.7 | W109 Q110 S115 T116 W117 Y123 Y133 L140 | W109-C113 WeakPolarHBondContact O-CB 3.33Å; W109-C113 PolarHBondContact O-N 3.36Å; W109-C113 PolarHBondContact O-SG 2.94Å; Q110-C113 PolarHBondContact O-N 2.96Å; C113-S115 PolarHBondContact O-N 3.24Å; C113-T116 PolarHBondContact O-N 2.67Å; C113-W117 PolarHBondContact O-N 3.4Å; C113-Y123 HydrophobicContact CB-CE1 4.44Å; C113-Y123 PolarHBondContact O-OH 3.39Å; C113-Y133 HydrophobicContact CB-CD1 4.42Å; C113-Y133 PolarHBondContact SG-O 3.12Å; C113-L140 HydrophobicContact CB-CD1 4.44Å |
| 114 | K | 94 | Very high | 93 | Very high | 91 Ų | 91 | 41.8 Ų | 41.8 | 40% | 0.396 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -72.8 | -22.7 | -175.8 | -68.8 | 177.1 | 179.7 | 175.6 | 0 | 114.1 | Q110 G111 G118 Y123 | Q110-K114 VanDerWaalsContact CD-NZ 3.29Å; Q110-K114 HydrophobicContact CG-CD 3.96Å; Q110-K114 HydrophobicContact CG-CG 4.47Å; Q110-K114 WeakPolarHBondContact O-CB 3.15Å; Q110-K114 WeakPolarHBondContact O-CG 3.38Å; Q110-K114 PolarHBondContact O-N 3.2Å; G111-K114 PolarHBondContact O-N 3.42Å; K114-G118 VanDerWaalsContact O-CA 3.29Å; K114-G118 WeakPolarHBondContact O-CA 3.47Å; K114-Y123 HydrophobicContact CG-CD2 4.41Å; K114-Y123 HydrophobicContact CG-CE2 4.03Å |
| 115 | S | 93.4 | Very high | 93.1 | Very high | 61 Ų | 61 | 42.6 Ų | 42.6 | 43% | 0.427 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -82.6 | -21.2 | 174.9 | 68.7 | 0 | 0 | 0 | 0 | 113.2 | G111 L112 C113 R179 | G111-S115 VanDerWaalsContact O-CB 3.3Å; G111-S115 WeakPolarHBondContact O-CB 3.24Å; G111-S115 PolarHBondContact O-N 2.64Å; G111-S115 PolarHBondContact O-OG 3.44Å; G111-S115 VanDerWaalsContact O-OG 3.12Å; L112-S115 PolarHBondContact O-OG 3.23Å; C113-S115 PolarHBondContact O-N 3.24Å; S115-R179 PolarHBondContact O-NH1 2.87Å |
| 116 | T | 94.3 | Very high | 92.9 | Very high | 25 Ų | 25 | 52.9 Ų | 52.9 | 15% | 0.153 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -101.6 | -38.4 | -175.6 | -53.6 | 0 | 0 | 0 | 0 | 112.5 | L112 C113 R179 R180 | L112-T116 WeakPolarHBondContact O-CB 3.44Å; L112-T116 PolarHBondContact O-N 3.15Å; L112-T116 PolarHBondContact O-OG1 2.79Å; C113-T116 PolarHBondContact O-N 2.67Å; T116-R179 PolarHBondContact O-N 3.08Å; T116-R180 HydrophobicContact CG2-CG 3.49Å; T116-R180 VanDerWaalsContact CG2-CG 3.49Å |
| 117 | W | 95.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 27% | 0.265 | C | S | . | . | B | Isolated β-bridge | trans | -127.7 | 87.4 | 171.4 | -57.1 | -97.6 | 0 | 0 | 0 | 108.6 | C113 H119 Y123 Y137 L140 D141 S144 F174 R180 | C113-W117 PolarHBondContact O-N 3.4Å; W117-H119 PolarHBondContact O-N 3.17Å; W117-H119 VanDerWaalsContact O-N 3.08Å; W117-Y123 VanDerWaalsContact O-CE2 3.31Å; W117-Y123 WeakPolarHBondContact O-CE2 3.4Å; W117-Y123 PolarHBondContact O-OH 3.2Å; W117-Y137 HydrophobicContact CH2-CD2 4.44Å; W117-Y137 HydrophobicContact CH2-CE1 4.35Å; W117-Y137 HydrophobicContact CH2-CE2 4.09Å; W117-Y137 AromaticContact CZ3-CD2 3.77Å; W117-Y137 HydrophobicContact CZ3-CD2 3.77Å; W117-Y137 AromaticContact CZ3-CE2 3.59Å; W117-Y137 HydrophobicContact CZ3-CE2 3.59Å; W117-Y137 HydrophobicContact CZ3-CG 4.33Å; W117-L140 HydrophobicContact CD2-CB 3.83Å; W117-L140 HydrophobicContact CD2-CD1 4Å; W117-L140 HydrophobicContact CD2-CD2 4.22Å; W117-L140 HydrophobicContact CD2-CG 4.25Å; W117-L140 HydrophobicContact CE3-CB 3.78Å; W117-L140 HydrophobicContact CE3-CD1 3.65Å; W117-L140 HydrophobicContact CE3-CG 4.23Å; W117-L140 HydrophobicContact CG-CD1 4.4Å; W117-L140 HydrophobicContact CG-CD2 4.15Å; W117-L140 HydrophobicContact CH2-CB 3.65Å; W117-L140 VanDerWaalsContact CZ2-C 3.41Å; W117-L140 HydrophobicContact CZ2-CB 3.68Å; W117-L140 WeakPolarHBondContact CZ2-O 3.37Å; W117-L140 HydrophobicContact CZ3-CB 3.68Å; W117-L140 HydrophobicContact CZ3-CD1 4.15Å; W117-D141 HydrophobicContact CH2-CB 4.03Å; W117-D141 HydrophobicContact CZ2-CB 4.28Å; W117-S144 PolarHBondContact NE1-OG 2.9Å; W117-F174 HydrophobicContact CB-CE2 4.43Å; W117-F174 AromaticContact CD1-CE2 3.57Å; W117-F174 AromaticContact CD1-CZ 3.87Å; W117-F174 HydrophobicContact CG-CE2 4.3Å; W117-R180 HydrophobicContact CH2-CG 4.46Å; W117-R180 HydrophobicContact CZ2-CB 4.3Å; W117-R180 HydrophobicContact CZ2-CG 3.69Å |
| 118 | G | 93.6 | Very high | 92.4 | Very high | 39 Ų | 39 | 49.2 Ų | 49.2 | 40% | 0.402 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -66.1 | -13.2 | -169.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | K114 Y177 | K114-G118 VanDerWaalsContact O-CA 3.29Å; K114-G118 WeakPolarHBondContact O-CA 3.47Å; G118-Y177 PolarHBondContact N-O 3.33Å |
| 119 | H | 95.3 | Very high | 92.1 | Very high | 21 Ų | 21 | 54.1 Ų | 54.1 | 10% | 0.097 | 30% | 0.301 | C | S | . | . | trans | -136.4 | 132.2 | 168.6 | 178.2 | 89.5 | 0 | 0 | 0 | 110.1 | W117 E170 K173 F174 Y177 | W117-H119 PolarHBondContact O-N 3.17Å; W117-H119 VanDerWaalsContact O-N 3.08Å; H119-E170 IonicContact CE1-OE1 2.67Å; H119-E170 PolarHBondContact CE1-OE1 3.5Å; H119-E170 IonicContact CE1-OE2 2.97Å; H119-E170 PolarHBondContact CE1-OE2 3.14Å; H119-E170 VanDerWaalsContact CE1-OE2 3.24Å; H119-E170 VanDerWaalsContact NE2-CD 3.3Å; H119-E170 IonicContact NE2-OE1 3.72Å; H119-E170 PolarHBondContact NE2-OE1 2.77Å; H119-E170 IonicContact NE2-OE2 3.42Å; H119-E170 PolarHBondContact NE2-OE2 3.09Å; H119-K173 HydrophobicContact CB-CB 3.9Å; H119-K173 VanDerWaalsContact CD2-CB 3.44Å; H119-K173 WeakPolarHBondContact CD2-CB 3.46Å; H119-K173 VanDerWaalsContact CG-CB 3.46Å; H119-F174 WeakPolarHBondContact O-CD2 3.36Å; H119-Y177 HydrophobicContact CB-CD2 3.95Å | ||
| 120 | C | 94.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 34% | 0.341 | C | S | . | . | trans | -143.8 | 139 | 164.9 | -69.6 | 0 | 0 | 0 | 0 | 108.1 | I122 Y123 I163 L164 | C120-I122 HydrophobicContact CB-CG2 3.97Å; C120-I122 PolarHBondContact O-N 3.31Å; C120-I122 VanDerWaalsContact O-N 3.12Å; C120-Y123 HydrophobicContact CB-CD1 4.22Å; C120-Y123 HydrophobicContact CB-CD2 3.97Å; C120-Y123 HydrophobicContact CB-CE1 4.03Å; C120-Y123 HydrophobicContact CB-CE2 3.77Å; C120-Y123 HydrophobicContact CB-CG 4.18Å; C120-Y123 WeakPolarHBondContact O-CB 3.39Å; C120-Y123 PolarHBondContact O-N 2.8Å; C120-I163 HydrophobicContact CB-CG2 4.23Å; C120-L164 HydrophobicContact CB-CD2 4.49Å | ||
| 121 | S | 94.3 | Very high | 91.5 | Very high | 5 Ų | 5 | 57.9 Ų | 57.9 | 4% | 0.035 | 34% | 0.34 | C | S | . | . | G | 310 helix | trans | -60.6 | -26.6 | -177.3 | -53.5 | 0 | 0 | 0 | 0 | 113.6 | Y123 N124 K125 I163 E170 | S121-Y123 VanDerWaalsContact C-N 3.3Å; S121-Y123 PolarHBondContact O-N 2.96Å; S121-N124 PolarHBondContact O-N 3.22Å; S121-K125 WeakPolarHBondContact O-CG 3.31Å; S121-I163 PolarHBondContact N-O 2.95Å; S121-E170 WeakPolarHBondContact CB-OE2 3.4Å; S121-E170 PolarHBondContact OG-OE2 3.2Å |
| 122 | I | 93.4 | Very high | 91.6 | Very high | 18 Ų | 18 | 57.6 Ų | 57.6 | 9% | 0.092 | 33% | 0.332 | C | S | . | . | G | 310 helix | trans | -63.3 | -28.6 | 173.6 | -168.7 | 165.8 | 0 | 0 | 0 | 113.9 | C120 N124 K125 L127 F131 L136 I163 | C120-I122 HydrophobicContact CB-CG2 3.97Å; C120-I122 PolarHBondContact O-N 3.31Å; C120-I122 VanDerWaalsContact O-N 3.12Å; I122-N124 PolarHBondContact O-N 3.42Å; I122-K125 PolarHBondContact O-N 3.16Å; I122-L127 HydrophobicContact CG1-CD2 4.39Å; I122-F131 HydrophobicContact CD1-CD2 4.48Å; I122-F131 HydrophobicContact CD1-CE2 3.88Å; I122-L136 HydrophobicContact CG2-CD1 4.36Å; I122-L136 HydrophobicContact CG2-CD2 3.88Å; I122-I163 HydrophobicContact CG2-CG2 4.21Å; I122-I163 PolarHBondContact N-O 2.86Å |
| 123 | Y | 93.3 | Very high | 91.6 | Very high | 40 Ų | 40 | 57.6 Ų | 57.6 | 16% | 0.157 | 33% | 0.33 | C | S | . | . | G | 310 helix | trans | -65.3 | -23.1 | 177.9 | -57.5 | -23.8 | 0 | 0 | 0 | 113.1 | C113 K114 W117 C120 S121 L136 | C113-Y123 HydrophobicContact CB-CE1 4.44Å; C113-Y123 PolarHBondContact O-OH 3.39Å; K114-Y123 HydrophobicContact CG-CD2 4.41Å; K114-Y123 HydrophobicContact CG-CE2 4.03Å; W117-Y123 VanDerWaalsContact O-CE2 3.31Å; W117-Y123 WeakPolarHBondContact O-CE2 3.4Å; W117-Y123 PolarHBondContact O-OH 3.2Å; C120-Y123 HydrophobicContact CB-CD1 4.22Å; C120-Y123 HydrophobicContact CB-CD2 3.97Å; C120-Y123 HydrophobicContact CB-CE1 4.03Å; C120-Y123 HydrophobicContact CB-CE2 3.77Å; C120-Y123 HydrophobicContact CB-CG 4.18Å; C120-Y123 WeakPolarHBondContact O-CB 3.39Å; C120-Y123 PolarHBondContact O-N 2.8Å; S121-Y123 VanDerWaalsContact C-N 3.3Å; S121-Y123 PolarHBondContact O-N 2.96Å; Y123-L136 HydrophobicContact CD1-CD2 4.4Å; Y123-L136 HydrophobicContact CE1-CD2 3.8Å |
| 124 | N | 90.3 | Very high | 91.5 | Very high | 120 Ų | 120 | 61.3 Ų | 61.3 | 64% | 0.642 | 34% | 0.344 | S | S | * | . | G | 310 helix | trans | -98.1 | 1.7 | -179 | -59.4 | -41.5 | 0 | 0 | 0 | 112.7 | S121 I122 | S121-N124 PolarHBondContact O-N 3.22Å; I122-N124 PolarHBondContact O-N 3.42Å |
| 125 | K | 88.8 | Confident | 91.5 | Very high | 91 Ų | 91 | 65 Ų | 65 | 40% | 0.396 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -98.9 | 160 | 177.7 | -64.6 | 173.9 | -166.1 | 173.2 | 0 | 110 | S121 I122 L127 G162 | S121-K125 WeakPolarHBondContact O-CG 3.31Å; I122-K125 PolarHBondContact O-N 3.16Å; K125-L127 PolarHBondContact O-N 3.4Å; K125-G162 PolarHBondContact NZ-O 2.9Å |
| 126 | R | 87.1 | Confident | 91.6 | Very high | 249 Ų | 249 | 62.1 Ų | 62.1 | 94% | 0.94 | 34% | 0.336 | S | S | * | . | P | Polyproline II helix | trans | -64.8 | 126.1 | 161.1 | -73.3 | -174 | 176.8 | -175.6 | -1 | 108.3 | ||
| 127 | L | 87.4 | Confident | 91.7 | Very high | 71 Ų | 71 | 62 Ų | 62 | 37% | 0.372 | 33% | 0.333 | S | S | . | . | P | Polyproline II helix | trans | -69.4 | 141.6 | 179.5 | -58.6 | 173.3 | 0 | 0 | 0 | 110.2 | I122 K125 F131 Y133 | I122-L127 HydrophobicContact CG1-CD2 4.39Å; K125-L127 PolarHBondContact O-N 3.4Å; L127-F131 HydrophobicContact CB-CB 4.07Å; L127-F131 HydrophobicContact CB-CD1 4.23Å; L127-F131 HydrophobicContact CB-CG 4.03Å; L127-F131 HydrophobicContact CD1-CD1 3.79Å; L127-F131 HydrophobicContact CD1-CE1 4.01Å; L127-F131 HydrophobicContact CD1-CG 4.42Å; L127-F131 HydrophobicContact CD2-CD1 4.09Å; L127-F131 HydrophobicContact CD2-CD2 4.16Å; L127-F131 HydrophobicContact CD2-CE1 4.03Å; L127-F131 HydrophobicContact CD2-CE2 4.09Å; L127-F131 HydrophobicContact CD2-CG 4.16Å; L127-F131 HydrophobicContact CD2-CZ 4.03Å; L127-F131 HydrophobicContact CG-CD1 4.25Å; L127-F131 HydrophobicContact CG-CG 4.42Å; L127-Y133 HydrophobicContact CD1-CE2 4.23Å |
| 128 | P | 83.8 | Confident | 91.7 | Very high | 87 Ų | 87 | 66.5 Ų | 66.5 | 57% | 0.565 | 36% | 0.356 | S | S | * | . | P | Polyproline II helix | trans | -59.8 | 156.2 | 173 | -25.2 | 34.7 | 0 | 0 | 0 | 113.2 | G130 F131 | P128-G130 PolarHBondContact O-N 3.29Å; P128-F131 WeakPolarHBondContact O-CB 3.28Å; P128-F131 PolarHBondContact O-N 3.48Å; P128-F131 VanDerWaalsContact O-N 3.11Å |
| 129 | A | 85.2 | Confident | 91.8 | Very high | 111 Ų | 111 | 66.6 Ų | 66.6 | 92% | 0.917 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | 133.4 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110 | F131 | A129-F131 VanDerWaalsContact C-N 3.28Å; A129-F131 PolarHBondContact O-N 2.91Å |
| 130 | G | 86.4 | Confident | 91.9 | Very high | 82 Ų | 82 | 65.6 Ų | 65.6 | 85% | 0.845 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72 | 16.5 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | P128 | P128-G130 PolarHBondContact O-N 3.29Š|
| 131 | F | 90.8 | Very high | 92 | Very high | 47 Ų | 47 | 67.2 Ų | 67.2 | 21% | 0.206 | 35% | 0.35 | C | S | . | . | trans | -61.4 | 143.9 | 167.8 | 175.6 | -86 | 0 | 0 | 0 | 111.1 | I122 L127 P128 A129 Y133 L136 | I122-F131 HydrophobicContact CD1-CD2 4.48Å; I122-F131 HydrophobicContact CD1-CE2 3.88Å; L127-F131 HydrophobicContact CB-CB 4.07Å; L127-F131 HydrophobicContact CB-CD1 4.23Å; L127-F131 HydrophobicContact CB-CG 4.03Å; L127-F131 HydrophobicContact CD1-CD1 3.79Å; L127-F131 HydrophobicContact CD1-CE1 4.01Å; L127-F131 HydrophobicContact CD1-CG 4.42Å; L127-F131 HydrophobicContact CD2-CD1 4.09Å; L127-F131 HydrophobicContact CD2-CD2 4.16Å; L127-F131 HydrophobicContact CD2-CE1 4.03Å; L127-F131 HydrophobicContact CD2-CE2 4.09Å; L127-F131 HydrophobicContact CD2-CG 4.16Å; L127-F131 HydrophobicContact CD2-CZ 4.03Å; L127-F131 HydrophobicContact CG-CD1 4.25Å; L127-F131 HydrophobicContact CG-CG 4.42Å; P128-F131 WeakPolarHBondContact O-CB 3.28Å; P128-F131 PolarHBondContact O-N 3.48Å; P128-F131 VanDerWaalsContact O-N 3.11Å; A129-F131 VanDerWaalsContact C-N 3.28Å; A129-F131 PolarHBondContact O-N 2.91Å; F131-Y133 HydrophobicContact CD1-CE2 4.47Å; F131-Y133 AromaticContact CE1-CD1 3.74Å; F131-Y133 HydrophobicContact CE1-CD1 3.74Å; F131-Y133 AromaticContact CE1-CD2 3.74Å; F131-Y133 HydrophobicContact CE1-CD2 3.74Å; F131-Y133 AromaticContact CE1-CE1 3.75Å; F131-Y133 HydrophobicContact CE1-CE1 3.75Å; F131-Y133 AromaticContact CE1-CE2 3.74Å; F131-Y133 HydrophobicContact CE1-CE2 3.74Å; F131-Y133 AromaticContact CE1-CG 3.73Å; F131-Y133 HydrophobicContact CE1-CG 3.73Å; F131-Y133 AromaticContact CE1-CZ 3.74Å; F131-Y133 AromaticContact CZ-CD1 3.9Å; F131-Y133 HydrophobicContact CZ-CD1 3.9Å; F131-Y133 AromaticContact CZ-CE1 3.91Å; F131-Y133 HydrophobicContact CZ-CE1 3.91Å; F131-Y133 HydrophobicContact CZ-CG 4.28Å; F131-L136 HydrophobicContact CE2-CB 4.06Å; F131-L136 HydrophobicContact CE2-CD2 4.11Å; F131-L136 HydrophobicContact CZ-CB 3.79Å; F131-L136 HydrophobicContact CZ-CD2 3.68Å; F131-L136 HydrophobicContact CZ-CG 4.31Å | ||
| 132 | S | 93.5 | Very high | 92.1 | Very high | 32 Ų | 32 | 71.8 Ų | 71.8 | 22% | 0.224 | 37% | 0.371 | C | S | . | . | trans | -137.7 | 132.3 | 172.7 | 164.8 | 0 | 0 | 0 | 0 | 110.5 | E106 R134 R135 L136 | E106-S132 VanDerWaalsContact OE1-CA 3.29Å; E106-S132 WeakPolarHBondContact OE1-CA 3.48Å; E106-S132 WeakPolarHBondContact OE1-CB 3.41Å; E106-S132 PolarHBondContact OE1-OG 3.2Å; E106-S132 WeakPolarHBondContact OE2-CA 3.39Å; S132-R134 VanDerWaalsContact C-N 3.3Å; S132-R134 PolarHBondContact O-N 3.43Å; S132-R134 PolarHBondContact OG-N 3.17Å; S132-R135 WeakPolarHBondContact O-CB 3.18Å; S132-R135 PolarHBondContact O-N 2.92Å; S132-R135 PolarHBondContact OG-N 3.37Å; S132-L136 PolarHBondContact O-N 3.15Å | ||
| 133 | Y | 94.1 | Very high | 92.3 | Very high | 19 Ų | 19 | 70.9 Ų | 70.9 | 8% | 0.075 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -66.1 | -30.6 | 173.3 | -78 | -71.4 | 0 | 0 | 0 | 112.3 | E106 Q110 C113 L127 F131 R135 L136 Y137 | E106-Y133 PolarHBondContact OE1-N 2.81Å; E106-Y133 VanDerWaalsContact OE2-CD2 3.26Å; E106-Y133 WeakPolarHBondContact OE2-CD2 3.34Å; E106-Y133 PolarHBondContact OE2-N 3.18Å; Q110-Y133 HydrophobicContact CB-CD1 3.97Å; Q110-Y133 HydrophobicContact CB-CD2 3.64Å; Q110-Y133 HydrophobicContact CB-CE1 4.14Å; Q110-Y133 HydrophobicContact CB-CE2 3.83Å; Q110-Y133 HydrophobicContact CB-CG 3.73Å; Q110-Y133 HydrophobicContact CG-CD1 4.11Å; Q110-Y133 HydrophobicContact CG-CD2 4.17Å; Q110-Y133 HydrophobicContact CG-CE1 3.79Å; Q110-Y133 HydrophobicContact CG-CE2 3.86Å; Q110-Y133 HydrophobicContact CG-CG 4.3Å; Q110-Y133 VanDerWaalsContact NE2-CZ 3.33Å; Q110-Y133 PolarHBondContact NE2-OH 3.14Å; C113-Y133 HydrophobicContact CB-CD1 4.42Å; C113-Y133 PolarHBondContact SG-O 3.12Å; L127-Y133 HydrophobicContact CD1-CE2 4.23Å; F131-Y133 HydrophobicContact CD1-CE2 4.47Å; F131-Y133 AromaticContact CE1-CD1 3.74Å; F131-Y133 HydrophobicContact CE1-CD1 3.74Å; F131-Y133 AromaticContact CE1-CD2 3.74Å; F131-Y133 HydrophobicContact CE1-CD2 3.74Å; F131-Y133 AromaticContact CE1-CE1 3.75Å; F131-Y133 HydrophobicContact CE1-CE1 3.75Å; F131-Y133 AromaticContact CE1-CE2 3.74Å; F131-Y133 HydrophobicContact CE1-CE2 3.74Å; F131-Y133 AromaticContact CE1-CG 3.73Å; F131-Y133 HydrophobicContact CE1-CG 3.73Å; F131-Y133 AromaticContact CE1-CZ 3.74Å; F131-Y133 AromaticContact CZ-CD1 3.9Å; F131-Y133 HydrophobicContact CZ-CD1 3.9Å; F131-Y133 AromaticContact CZ-CE1 3.91Å; F131-Y133 HydrophobicContact CZ-CE1 3.91Å; F131-Y133 HydrophobicContact CZ-CG 4.28Å; Y133-R135 VanDerWaalsContact C-N 3.33Å; Y133-L136 HydrophobicContact CD1-CD2 4.29Å; Y133-L136 HydrophobicContact CE1-CD2 4.43Å; Y133-L136 PolarHBondContact O-N 3.47Å; Y133-Y137 WeakPolarHBondContact O-CB 3.47Å; Y133-Y137 PolarHBondContact O-N 3.43Å |
| 134 | R | 93 | Very high | 92.5 | Very high | 78 Ų | 78 | 69 Ų | 69 | 29% | 0.294 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -63.3 | -42 | 172.1 | -174 | 171.4 | -178.4 | -105.9 | -0.1 | 111.2 | C93 W109 S132 Y137 L138 | C93-R134 PolarHBondContact SG-NH2 3.31Å; C93-R134 VanDerWaalsContact SG-NH2 3.36Å; W109-R134 HydrophobicContact CB-CB 4.25Å; W109-R134 HydrophobicContact CD2-CB 3.66Å; W109-R134 HydrophobicContact CD2-CG 3.69Å; W109-R134 HydrophobicContact CE3-CB 4.14Å; W109-R134 HydrophobicContact CE3-CG 3.99Å; W109-R134 HydrophobicContact CG-CB 3.66Å; W109-R134 HydrophobicContact CG-CG 4.22Å; W109-R134 HydrophobicContact CH2-CG 4.19Å; W109-R134 HydrophobicContact CZ2-CG 3.9Å; W109-R134 HydrophobicContact CZ3-CG 4.22Å; S132-R134 VanDerWaalsContact C-N 3.3Å; S132-R134 PolarHBondContact O-N 3.43Å; S132-R134 PolarHBondContact OG-N 3.17Å; R134-Y137 PolarHBondContact O-N 2.81Å; R134-L138 WeakPolarHBondContact O-CG 2.77Å; R134-L138 PolarHBondContact O-N 3.38Å |
| 135 | R | 94.1 | Very high | 92.8 | Very high | 168 Ų | 168 | 68.4 Ų | 68.4 | 63% | 0.634 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -65.1 | -42.8 | 173.5 | -173.8 | 179.4 | 177.5 | 97.5 | -1.4 | 111.5 | S132 Y133 L138 Q139 | S132-R135 WeakPolarHBondContact O-CB 3.18Å; S132-R135 PolarHBondContact O-N 2.92Å; S132-R135 PolarHBondContact OG-N 3.37Å; Y133-R135 VanDerWaalsContact C-N 3.33Å; R135-L138 PolarHBondContact O-N 3.01Å; R135-Q139 WeakPolarHBondContact O-CG 3.5Å; R135-Q139 PolarHBondContact O-N 3.05Å; R135-Q139 VanDerWaalsContact O-N 3.16Å |
| 136 | L | 95.6 | Very high | 93.2 | Very high | 1 Ų | 1 | 65.9 Ų | 65.9 | 1% | 0.005 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -63.1 | -40.7 | 176.5 | 179.3 | 60.5 | 0 | 0 | 0 | 112 | I122 Y123 F131 S132 Y133 L138 Q139 L140 I163 | I122-L136 HydrophobicContact CG2-CD1 4.36Å; I122-L136 HydrophobicContact CG2-CD2 3.88Å; Y123-L136 HydrophobicContact CD1-CD2 4.4Å; Y123-L136 HydrophobicContact CE1-CD2 3.8Å; F131-L136 HydrophobicContact CE2-CB 4.06Å; F131-L136 HydrophobicContact CE2-CD2 4.11Å; F131-L136 HydrophobicContact CZ-CB 3.79Å; F131-L136 HydrophobicContact CZ-CD2 3.68Å; F131-L136 HydrophobicContact CZ-CG 4.31Å; S132-L136 PolarHBondContact O-N 3.15Å; Y133-L136 HydrophobicContact CD1-CD2 4.29Å; Y133-L136 HydrophobicContact CE1-CD2 4.43Å; Y133-L136 PolarHBondContact O-N 3.47Å; L136-L138 VanDerWaalsContact C-N 3.33Å; L136-L138 PolarHBondContact O-N 2.95Å; L136-Q139 PolarHBondContact O-N 3.37Å; L136-L140 HydrophobicContact CD1-CD1 4.12Å; L136-L140 HydrophobicContact CD1-CG 3.98Å; L136-L140 HydrophobicContact CD2-CD1 4.23Å; L136-L140 HydrophobicContact CG-CD1 3.76Å; L136-L140 HydrophobicContact CG-CG 4.13Å; L136-L140 WeakPolarHBondContact O-CB 3.49Å; L136-L140 WeakPolarHBondContact O-CG 3.44Å; L136-L140 PolarHBondContact O-N 3.37Å; L136-I163 HydrophobicContact CD1-CD1 3.66Å; L136-I163 HydrophobicContact CD1-CG1 3.65Å; L136-I163 HydrophobicContact CD1-CG2 4.41Å |
| 137 | Y | 95.7 | Very high | 93.7 | Very high | 24 Ų | 24 | 54 Ų | 54 | 9% | 0.094 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -56.9 | -47.8 | 177.2 | -173.6 | -76.8 | 0 | 0 | 0 | 111 | A89 W109 L112 W117 Y133 R134 Q139 L140 D141 | A89-Y137 HydrophobicContact CB-CD1 4.05Å; A89-Y137 HydrophobicContact CB-CE1 3.38Å; A89-Y137 HydrophobicContact CB-CE2 3.91Å; A89-Y137 WeakPolarHBondContact CB-OH 3.31Å; W109-Y137 HydrophobicContact CE3-CD2 4.29Å; W109-Y137 AromaticContact CE3-CG 3.94Å; W109-Y137 HydrophobicContact CE3-CG 3.94Å; W109-Y137 AromaticContact CZ3-CD1 3.94Å; W109-Y137 HydrophobicContact CZ3-CD1 3.94Å; W109-Y137 HydrophobicContact CZ3-CD2 4.31Å; W109-Y137 AromaticContact CZ3-CG 3.8Å; W109-Y137 HydrophobicContact CZ3-CG 3.8Å; L112-Y137 HydrophobicContact CB-CD2 4.01Å; L112-Y137 HydrophobicContact CB-CE2 4Å; W117-Y137 HydrophobicContact CH2-CD2 4.44Å; W117-Y137 HydrophobicContact CH2-CE1 4.35Å; W117-Y137 HydrophobicContact CH2-CE2 4.09Å; W117-Y137 AromaticContact CZ3-CD2 3.77Å; W117-Y137 HydrophobicContact CZ3-CD2 3.77Å; W117-Y137 AromaticContact CZ3-CE2 3.59Å; W117-Y137 HydrophobicContact CZ3-CE2 3.59Å; W117-Y137 HydrophobicContact CZ3-CG 4.33Å; Y133-Y137 WeakPolarHBondContact O-CB 3.47Å; Y133-Y137 PolarHBondContact O-N 3.43Å; R134-Y137 PolarHBondContact O-N 2.81Å; Y137-Q139 VanDerWaalsContact C-N 3.34Å; Y137-Q139 PolarHBondContact O-N 2.84Å; Y137-L140 PolarHBondContact O-N 3.26Å; Y137-D141 HydrophobicContact CE1-CB 4.35Å; Y137-D141 PolarHBondContact O-N 2.78Å |
| 138 | L | 95 | Very high | 94.2 | Very high | 93 Ų | 93 | 52.8 Ų | 52.8 | 49% | 0.487 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62.9 | -39.4 | 179.1 | -66 | 171.4 | 0 | 0 | 0 | 112 | R134 R135 L136 D141 E142 | R134-L138 WeakPolarHBondContact O-CG 2.77Å; R134-L138 PolarHBondContact O-N 3.38Å; R135-L138 PolarHBondContact O-N 3.01Å; L136-L138 VanDerWaalsContact C-N 3.33Å; L136-L138 PolarHBondContact O-N 2.95Å; L138-D141 PolarHBondContact O-N 3.45Å; L138-E142 VanDerWaalsContact O-CB 3.31Å; L138-E142 WeakPolarHBondContact O-CB 3.49Å; L138-E142 PolarHBondContact O-N 2.78Å |
| 139 | Q | 96.4 | Very high | 94.8 | Very high | 42 Ų | 42 | 52.3 Ų | 52.3 | 20% | 0.196 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -70.1 | -34.3 | 175 | -65.7 | 179.1 | -56.6 | 0 | 0 | 112.7 | R135 L136 Y137 G143 Y157 I163 | R135-Q139 WeakPolarHBondContact O-CG 3.5Å; R135-Q139 PolarHBondContact O-N 3.05Å; R135-Q139 VanDerWaalsContact O-N 3.16Å; L136-Q139 PolarHBondContact O-N 3.37Å; Y137-Q139 VanDerWaalsContact C-N 3.34Å; Y137-Q139 PolarHBondContact O-N 2.84Å; Q139-G143 PolarHBondContact O-N 3.23Å; Q139-Y157 HydrophobicContact CB-CE1 4.47Å; Q139-Y157 VanDerWaalsContact O-CE1 3.24Å; Q139-Y157 WeakPolarHBondContact O-CE1 3.37Å; Q139-I163 HydrophobicContact CB-CD1 3.91Å |
| 140 | L | 96.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -67.1 | -39.5 | 174.9 | -81.3 | 170.6 | 0 | 0 | 0 | 111.4 | C113 W117 L136 Y137 S144 F158 I163 F174 | C113-L140 HydrophobicContact CB-CD1 4.44Å; W117-L140 HydrophobicContact CD2-CB 3.83Å; W117-L140 HydrophobicContact CD2-CD1 4Å; W117-L140 HydrophobicContact CD2-CD2 4.22Å; W117-L140 HydrophobicContact CD2-CG 4.25Å; W117-L140 HydrophobicContact CE3-CB 3.78Å; W117-L140 HydrophobicContact CE3-CD1 3.65Å; W117-L140 HydrophobicContact CE3-CG 4.23Å; W117-L140 HydrophobicContact CG-CD1 4.4Å; W117-L140 HydrophobicContact CG-CD2 4.15Å; W117-L140 HydrophobicContact CH2-CB 3.65Å; W117-L140 VanDerWaalsContact CZ2-C 3.41Å; W117-L140 HydrophobicContact CZ2-CB 3.68Å; W117-L140 WeakPolarHBondContact CZ2-O 3.37Å; W117-L140 HydrophobicContact CZ3-CB 3.68Å; W117-L140 HydrophobicContact CZ3-CD1 4.15Å; L136-L140 HydrophobicContact CD1-CD1 4.12Å; L136-L140 HydrophobicContact CD1-CG 3.98Å; L136-L140 HydrophobicContact CD2-CD1 4.23Å; L136-L140 HydrophobicContact CG-CD1 3.76Å; L136-L140 HydrophobicContact CG-CG 4.13Å; L136-L140 WeakPolarHBondContact O-CB 3.49Å; L136-L140 WeakPolarHBondContact O-CG 3.44Å; L136-L140 PolarHBondContact O-N 3.37Å; Y137-L140 PolarHBondContact O-N 3.26Å; L140-S144 VanDerWaalsContact O-CB 3.31Å; L140-S144 WeakPolarHBondContact O-CB 3.32Å; L140-S144 PolarHBondContact O-N 3.01Å; L140-S144 PolarHBondContact O-OG 3.25Å; L140-F158 HydrophobicContact CD2-CE1 4.21Å; L140-I163 HydrophobicContact CD2-CD1 4.49Å; L140-I163 HydrophobicContact CD2-CG2 3.65Å; L140-F174 HydrophobicContact CD2-CE2 4.32Å |
| 141 | D | 96.3 | Very high | 95.8 | Very high | 33 Ų | 33 | 46 Ų | 46 | 18% | 0.176 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -74.3 | -43.5 | 177.5 | -147 | 45.2 | 0 | 0 | 0 | 112.2 | W117 Y137 L138 G143 S144 L145 R180 | W117-D141 HydrophobicContact CH2-CB 4.03Å; W117-D141 HydrophobicContact CZ2-CB 4.28Å; Y137-D141 HydrophobicContact CE1-CB 4.35Å; Y137-D141 PolarHBondContact O-N 2.78Å; L138-D141 PolarHBondContact O-N 3.45Å; D141-G143 PolarHBondContact O-N 3.17Å; D141-S144 PolarHBondContact O-N 3.49Å; D141-S144 VanDerWaalsContact O-N 3.16Å; D141-L145 WeakPolarHBondContact O-CG 3.49Å; D141-L145 PolarHBondContact O-N 2.86Å; D141-R180 VanDerWaalsContact CG-NH2 3.29Å; D141-R180 IonicContact OD1-CZ 3.4Å; D141-R180 IonicContact OD1-NE 2.72Å; D141-R180 PolarHBondContact OD1-NE 3.21Å; D141-R180 IonicContact OD1-NH2 3.39Å; D141-R180 PolarHBondContact OD1-NH2 3.36Å; D141-R180 IonicContact OD2-NH2 3.76Å; D141-R180 PolarHBondContact OD2-NH2 2.86Å; D141-R180 VanDerWaalsContact OD2-NH2 3.12Å |
| 142 | E | 97 | Very high | 96 | Very high | 101 Ų | 101 | 46.9 Ų | 46.9 | 47% | 0.472 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -53.6 | -55.1 | 172 | -173.8 | -174.1 | -178.9 | 0 | 0 | 110.7 | L138 S144 L145 T146 Y157 | L138-E142 VanDerWaalsContact O-CB 3.31Å; L138-E142 WeakPolarHBondContact O-CB 3.49Å; L138-E142 PolarHBondContact O-N 2.78Å; E142-S144 VanDerWaalsContact C-N 3.27Å; E142-S144 PolarHBondContact O-N 2.87Å; E142-L145 WeakPolarHBondContact O-CB 3.28Å; E142-L145 PolarHBondContact O-N 2.98Å; E142-L145 VanDerWaalsContact O-N 3.13Å; E142-T146 PolarHBondContact O-N 2.89Å; E142-T146 PolarHBondContact O-OG1 3.1Å; E142-T146 VanDerWaalsContact O-OG1 3.05Å; E142-Y157 VanDerWaalsContact CD-OH 3.29Å; E142-Y157 HydrophobicContact CG-CE2 3.9Å; E142-Y157 WeakPolarHBondContact OE2-CE2 3.46Å; E142-Y157 VanDerWaalsContact OE2-CZ 3.29Å; E142-Y157 PolarHBondContact OE2-OH 2.52Å |
| 143 | G | 97.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.6 | -27.6 | 179 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q139 D141 F147 F158 | Q139-G143 PolarHBondContact O-N 3.23Å; D141-G143 PolarHBondContact O-N 3.17Å; G143-F147 WeakPolarHBondContact O-CB 3.5Å; G143-F147 PolarHBondContact O-N 3.38Å; G143-F158 WeakPolarHBondContact O-CZ 3.29Å |
| 144 | S | 97.1 | Very high | 96.3 | Very high | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.007 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -72.1 | -38.8 | 173.7 | -60.9 | 0 | 0 | 0 | 0 | 111.4 | W117 L140 D141 E142 F147 N148 | W117-S144 PolarHBondContact NE1-OG 2.9Å; L140-S144 VanDerWaalsContact O-CB 3.31Å; L140-S144 WeakPolarHBondContact O-CB 3.32Å; L140-S144 PolarHBondContact O-N 3.01Å; L140-S144 PolarHBondContact O-OG 3.25Å; D141-S144 PolarHBondContact O-N 3.49Å; D141-S144 VanDerWaalsContact O-N 3.16Å; E142-S144 VanDerWaalsContact C-N 3.27Å; E142-S144 PolarHBondContact O-N 2.87Å; S144-F147 PolarHBondContact O-N 3.23Å; S144-N148 WeakPolarHBondContact O-CB 3.42Å; S144-N148 PolarHBondContact O-N 3.38Å; S144-N148 PolarHBondContact O-ND2 3.42Å; S144-N148 PolarHBondContact O-OD1 3.44Å |
| 145 | L | 97.4 | Very high | 96.5 | Very high | 107 Ų | 107 | 46.5 Ų | 46.5 | 56% | 0.56 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -66.2 | -40.8 | 172 | -67.2 | 170.5 | 0 | 0 | 0 | 111.2 | D141 E142 N148 A149 | D141-L145 WeakPolarHBondContact O-CG 3.49Å; D141-L145 PolarHBondContact O-N 2.86Å; E142-L145 WeakPolarHBondContact O-CB 3.28Å; E142-L145 PolarHBondContact O-N 2.98Å; E142-L145 VanDerWaalsContact O-N 3.13Å; L145-N148 PolarHBondContact O-N 3Å; L145-A149 PolarHBondContact O-N 3.37Å |
| 146 | T | 97.5 | Very high | 96.6 | Very high | 38 Ų | 38 | 41.8 Ų | 41.8 | 23% | 0.233 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.3 | -49.6 | 172.2 | -50.1 | 0 | 0 | 0 | 0 | 111.1 | E142 N148 A149 N150 E153 | E142-T146 PolarHBondContact O-N 2.89Å; E142-T146 PolarHBondContact O-OG1 3.1Å; E142-T146 VanDerWaalsContact O-OG1 3.05Å; T146-N148 PolarHBondContact O-N 3.26Å; T146-A149 PolarHBondContact O-N 2.88Å; T146-N150 CarbonylContact O-C 3.6Å; T146-N150 PolarHBondContact O-N 2.94Å; T146-N150 VanDerWaalsContact O-O 3.05Å; T146-E153 HydrophobicContact CG2-CB 3.85Å |
| 147 | F | 97.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -57 | -38.4 | 176.8 | -175.3 | -84.9 | 0 | 0 | 0 | 112.5 | G143 S144 A149 N150 P151 I155 L181 M185 L186 Y189 | G143-F147 WeakPolarHBondContact O-CB 3.5Å; G143-F147 PolarHBondContact O-N 3.38Å; S144-F147 PolarHBondContact O-N 3.23Å; F147-A149 PolarHBondContact O-N 3.47Å; F147-N150 WeakPolarHBondContact CA-O 3.46Å; F147-N150 CarbonylContact O-C 3.58Å; F147-P151 HydrophobicContact CD2-CB 3.94Å; F147-P151 WeakPolarHBondContact CD2-O 3.48Å; F147-P151 HydrophobicContact CE1-CB 4.28Å; F147-P151 HydrophobicContact CE2-CB 3.53Å; F147-P151 HydrophobicContact CG-CB 4.47Å; F147-P151 HydrophobicContact CZ-CB 3.71Å; F147-I155 HydrophobicContact CD2-CD1 3.93Å; F147-I155 HydrophobicContact CD2-CG1 3.84Å; F147-I155 HydrophobicContact CE2-CD1 3.9Å; F147-I155 HydrophobicContact CE2-CG1 3.76Å; F147-L181 HydrophobicContact CB-CD2 4.06Å; F147-L181 HydrophobicContact CD1-CB 4.07Å; F147-L181 HydrophobicContact CD1-CD1 4.3Å; F147-L181 HydrophobicContact CD1-CD2 3.68Å; F147-L181 HydrophobicContact CD1-CG 4.2Å; F147-L181 HydrophobicContact CE1-CB 4.05Å; F147-L181 HydrophobicContact CE1-CD1 4.14Å; F147-L181 HydrophobicContact CE1-CD2 4.33Å; F147-L181 HydrophobicContact CE1-CG 4.39Å; F147-L181 HydrophobicContact CG-CD2 3.88Å; F147-L181 HydrophobicContact CZ-CD1 4.38Å; F147-M185 HydrophobicContact CD1-CB 4.21Å; F147-M185 HydrophobicContact CE1-CB 3.88Å; F147-M185 WeakPolarHBondContact O-CB 3.32Å; F147-L186 HydrophobicContact CE1-CD1 4.19Å; F147-L186 HydrophobicContact CZ-CD1 4Å; F147-Y189 HydrophobicContact CE2-CD2 4.43Å; F147-Y189 HydrophobicContact CE2-CG 4.15Å; F147-Y189 HydrophobicContact CZ-CG 4.32Å |
| 148 | N | 96.7 | Very high | 96.8 | Very high | 44 Ų | 44 | 41.7 Ų | 41.7 | 24% | 0.235 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -72.3 | -12.5 | 179.6 | -68 | -14.5 | 0 | 0 | 0 | 113.7 | S144 L145 T146 R180 L181 N182 M185 | S144-N148 WeakPolarHBondContact O-CB 3.42Å; S144-N148 PolarHBondContact O-N 3.38Å; S144-N148 PolarHBondContact O-ND2 3.42Å; S144-N148 PolarHBondContact O-OD1 3.44Å; L145-N148 PolarHBondContact O-N 3Å; T146-N148 PolarHBondContact O-N 3.26Å; N148-R180 PolarHBondContact ND2-O 3.37Å; N148-L181 WeakPolarHBondContact OD1-CA 3.36Å; N148-N182 HydrophobicContact CB-CB 4.22Å; N148-N182 WeakPolarHBondContact OD1-CB 3.34Å; N148-N182 PolarHBondContact OD1-N 2.97Å; N148-M185 WeakPolarHBondContact O-CE 3.13Å |
| 149 | A | 96.9 | Very high | 96.8 | Very high | 78 Ų | 78 | 40 Ų | 40 | 65% | 0.645 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -100.3 | -47.2 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L145 T146 F147 M185 | L145-A149 PolarHBondContact O-N 3.37Å; T146-A149 PolarHBondContact O-N 2.88Å; F147-A149 PolarHBondContact O-N 3.47Å; A149-M185 WeakPolarHBondContact O-CE 3.33Å |
| 150 | N | 97.1 | Very high | 96.8 | Very high | 53 Ų | 53 | 42 Ų | 42 | 28% | 0.283 | 24% | 0.237 | S | C | . | . | trans | -141.6 | 116.4 | 172.2 | 178 | -17.2 | 0 | 0 | 0 | 109.4 | T146 F147 Q152 E153 G154 | T146-N150 CarbonylContact O-C 3.6Å; T146-N150 PolarHBondContact O-N 2.94Å; T146-N150 VanDerWaalsContact O-O 3.05Å; F147-N150 WeakPolarHBondContact CA-O 3.46Å; F147-N150 CarbonylContact O-C 3.58Å; N150-Q152 PolarHBondContact O-N 3.34Å; N150-Q152 PolarHBondContact OD1-N 3.28Å; N150-E153 HydrophobicContact CB-CB 4.03Å; N150-E153 HydrophobicContact CB-CG 4.19Å; N150-E153 VanDerWaalsContact ND2-CD 3.27Å; N150-E153 WeakPolarHBondContact ND2-CG 3.47Å; N150-E153 PolarHBondContact ND2-OE1 3.25Å; N150-E153 PolarHBondContact O-N 3.42Å; N150-E153 PolarHBondContact OD1-N 3.02Å; N150-G154 PolarHBondContact O-N 3.19Å | ||
| 151 | P | 95.8 | Very high | 96.7 | Very high | 8 Ų | 8 | 46.2 Ų | 46.2 | 5% | 0.052 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.8 | -38.4 | -175.6 | 23.2 | -32 | 0 | 0 | 0 | 113.4 | F147 G154 I155 M185 I188 Y189 | F147-P151 HydrophobicContact CD2-CB 3.94Å; F147-P151 WeakPolarHBondContact CD2-O 3.48Å; F147-P151 HydrophobicContact CE1-CB 4.28Å; F147-P151 HydrophobicContact CE2-CB 3.53Å; F147-P151 HydrophobicContact CG-CB 4.47Å; F147-P151 HydrophobicContact CZ-CB 3.71Å; P151-G154 PolarHBondContact O-N 3.37Å; P151-I155 WeakPolarHBondContact O-CG1 3.1Å; P151-I155 PolarHBondContact O-N 3.05Å; P151-M185 HydrophobicContact CB-CB 4.31Å; P151-M185 HydrophobicContact CG-CB 4.39Å; P151-I188 HydrophobicContact CG-CB 4.48Å; P151-I188 HydrophobicContact CG-CG2 4.25Å; P151-Y189 HydrophobicContact CB-CD2 4.21Å; P151-Y189 HydrophobicContact CB-CG 4.41Å |
| 152 | Q | 95.4 | Very high | 96.6 | Very high | 65 Ų | 65 | 46 Ų | 46 | 30% | 0.304 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -71.5 | -37.7 | -177.6 | -63.6 | -60.8 | -8.4 | 0 | 0 | 111.7 | N150 S156 E192 | N150-Q152 PolarHBondContact O-N 3.34Å; N150-Q152 PolarHBondContact OD1-N 3.28Å; Q152-S156 VanDerWaalsContact O-CB 3.23Å; Q152-S156 WeakPolarHBondContact O-CB 3.49Å; Q152-S156 PolarHBondContact O-N 3.05Å; Q152-S156 PolarHBondContact O-OG 3.05Å; Q152-E192 PolarHBondContact NE2-OE2 3.44Å |
| 153 | E | 96.7 | Very high | 96.5 | Very high | 117 Ų | 117 | 41.2 Ų | 41.2 | 55% | 0.547 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -65.3 | -40.4 | 171.2 | -74.2 | 172.8 | -141.4 | 0 | 0 | 111.8 | T146 N150 S156 Y157 | T146-E153 HydrophobicContact CG2-CB 3.85Å; N150-E153 HydrophobicContact CB-CB 4.03Å; N150-E153 HydrophobicContact CB-CG 4.19Å; N150-E153 VanDerWaalsContact ND2-CD 3.27Å; N150-E153 WeakPolarHBondContact ND2-CG 3.47Å; N150-E153 PolarHBondContact ND2-OE1 3.25Å; N150-E153 PolarHBondContact O-N 3.42Å; N150-E153 PolarHBondContact OD1-N 3.02Å; E153-S156 PolarHBondContact O-N 2.7Å; E153-Y157 WeakPolarHBondContact O-CB 3.24Å; E153-Y157 PolarHBondContact O-N 2.88Å |
| 154 | G | 96.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.1 | -45.2 | 178 | 0 | 0 | 0 | 0 | 0 | 113.4 | N150 P151 Y157 F158 | N150-G154 PolarHBondContact O-N 3.19Å; P151-G154 PolarHBondContact O-N 3.37Å; G154-Y157 WeakPolarHBondContact O-CB 3.25Å; G154-Y157 PolarHBondContact O-N 2.84Å; G154-F158 WeakPolarHBondContact O-CD2 3.42Å; G154-F158 WeakPolarHBondContact O-CG 3.22Å; G154-F158 PolarHBondContact O-N 2.72Å |
| 155 | I | 96.6 | Very high | 96.3 | Very high | 4 Ų | 4 | 44.5 Ų | 44.5 | 2% | 0.021 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.5 | -43.3 | 174.1 | -65.3 | -57.6 | 0 | 0 | 0 | 111.1 | F147 P151 Y157 F158 M159 L171 Y189 | F147-I155 HydrophobicContact CD2-CD1 3.93Å; F147-I155 HydrophobicContact CD2-CG1 3.84Å; F147-I155 HydrophobicContact CE2-CD1 3.9Å; F147-I155 HydrophobicContact CE2-CG1 3.76Å; P151-I155 WeakPolarHBondContact O-CG1 3.1Å; P151-I155 PolarHBondContact O-N 3.05Å; I155-Y157 VanDerWaalsContact C-N 3.31Å; I155-Y157 PolarHBondContact O-N 2.77Å; I155-F158 HydrophobicContact CD1-CD2 4.24Å; I155-F158 PolarHBondContact O-N 2.71Å; I155-M159 HydrophobicContact CG2-CE 3.43Å; I155-M159 VanDerWaalsContact CG2-CE 3.43Å; I155-M159 HydrophobicContact CG2-SD 4.12Å; I155-M159 WeakPolarHBondContact O-CG 3.42Å; I155-M159 PolarHBondContact O-N 3.25Å; I155-L171 HydrophobicContact CG2-CD2 4.34Å; I155-Y189 HydrophobicContact CB-CE2 4.24Å; I155-Y189 HydrophobicContact CG1-CD2 4.19Å; I155-Y189 HydrophobicContact CG1-CE1 4.38Å; I155-Y189 HydrophobicContact CG1-CE2 3.66Å; I155-Y189 HydrophobicContact CG2-CE2 4.42Å |
| 156 | S | 96.9 | Very high | 96.2 | Very high | 68 Ų | 68 | 43.9 Ų | 43.9 | 48% | 0.476 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -60.5 | -38.7 | 174.9 | -60.3 | 0 | 0 | 0 | 0 | 112.3 | Q152 E153 M159 S160 | Q152-S156 VanDerWaalsContact O-CB 3.23Å; Q152-S156 WeakPolarHBondContact O-CB 3.49Å; Q152-S156 PolarHBondContact O-N 3.05Å; Q152-S156 PolarHBondContact O-OG 3.05Å; E153-S156 PolarHBondContact O-N 2.7Å; S156-M159 PolarHBondContact O-N 2.65Å; S156-S160 WeakPolarHBondContact O-CB 3.4Å; S156-S160 PolarHBondContact O-N 3.16Å |
| 157 | Y | 97.9 | Very high | 96.2 | Very high | 24 Ų | 24 | 46.3 Ų | 46.3 | 9% | 0.094 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -58.9 | -52.8 | 172.5 | 174.5 | -74.1 | 0 | 0 | 0 | 110.3 | Q139 E142 E153 G154 I155 M159 S160 K161 | Q139-Y157 HydrophobicContact CB-CE1 4.47Å; Q139-Y157 VanDerWaalsContact O-CE1 3.24Å; Q139-Y157 WeakPolarHBondContact O-CE1 3.37Å; E142-Y157 VanDerWaalsContact CD-OH 3.29Å; E142-Y157 HydrophobicContact CG-CE2 3.9Å; E142-Y157 WeakPolarHBondContact OE2-CE2 3.46Å; E142-Y157 VanDerWaalsContact OE2-CZ 3.29Å; E142-Y157 PolarHBondContact OE2-OH 2.52Å; E153-Y157 WeakPolarHBondContact O-CB 3.24Å; E153-Y157 PolarHBondContact O-N 2.88Å; G154-Y157 WeakPolarHBondContact O-CB 3.25Å; G154-Y157 PolarHBondContact O-N 2.84Å; I155-Y157 VanDerWaalsContact C-N 3.31Å; I155-Y157 PolarHBondContact O-N 2.77Å; Y157-M159 VanDerWaalsContact C-N 3.26Å; Y157-M159 PolarHBondContact O-N 2.91Å; Y157-S160 WeakPolarHBondContact O-CB 3.47Å; Y157-S160 PolarHBondContact O-N 3.12Å; Y157-S160 PolarHBondContact O-OG 3.44Å; Y157-K161 HydrophobicContact CD1-CG 4.07Å; Y157-K161 HydrophobicContact CE1-CD 4.37Å; Y157-K161 HydrophobicContact CE1-CG 3.52Å; Y157-K161 HydrophobicContact CE2-CG 4.49Å; Y157-K161 WeakPolarHBondContact O-CG 3.31Å; Y157-K161 PolarHBondContact O-N 3Å; Y157-K161 VanDerWaalsContact OH-CE 3.25Å; Y157-K161 WeakPolarHBondContact OH-CE 3.4Å |
| 158 | F | 97.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.7 | -35.9 | -178.6 | -66.7 | -53 | 0 | 0 | 0 | 112.6 | L140 G143 G154 I155 G162 I163 L164 F174 | L140-F158 HydrophobicContact CD2-CE1 4.21Å; G143-F158 WeakPolarHBondContact O-CZ 3.29Å; G154-F158 WeakPolarHBondContact O-CD2 3.42Å; G154-F158 WeakPolarHBondContact O-CG 3.22Å; G154-F158 PolarHBondContact O-N 2.72Å; I155-F158 HydrophobicContact CD1-CD2 4.24Å; I155-F158 PolarHBondContact O-N 2.71Å; F158-G162 PolarHBondContact O-N 3.48Å; F158-I163 HydrophobicContact CB-CB 4.45Å; F158-I163 HydrophobicContact CD1-CD1 4.25Å; F158-I163 HydrophobicContact CD1-CG2 4.37Å; F158-I163 WeakPolarHBondContact O-CB 3.42Å; F158-I163 PolarHBondContact O-N 2.68Å; F158-L164 HydrophobicContact CB-CB 4.15Å; F158-L164 HydrophobicContact CB-CD1 3.74Å; F158-L164 HydrophobicContact CB-CG 3.87Å; F158-L164 HydrophobicContact CD2-CD1 3.87Å; F158-L164 HydrophobicContact CG-CD1 4Å; F158-L164 HydrophobicContact CG-CG 4.42Å; F158-L164 PolarHBondContact O-N 3.2Å; F158-F174 HydrophobicContact CD2-CE1 4.17Å; F158-F174 HydrophobicContact CD2-CZ 4.05Å; F158-F174 HydrophobicContact CE1-CZ 4.26Å; F158-F174 AromaticContact CE2-CE1 3.73Å; F158-F174 HydrophobicContact CE2-CE1 3.73Å; F158-F174 AromaticContact CE2-CZ 3.49Å; F158-F174 HydrophobicContact CE2-CZ 3.49Å; F158-F174 VanDerWaalsContact CE2-CZ 3.49Å; F158-F174 HydrophobicContact CZ-CE1 4.29Å; F158-F174 HydrophobicContact CZ-CE2 4.5Å; F158-F174 AromaticContact CZ-CZ 3.6Å; F158-F174 HydrophobicContact CZ-CZ 3.6Å |
| 159 | M | 96 | Very high | 96.1 | Very high | 57 Ų | 57 | 50.7 Ų | 50.7 | 28% | 0.281 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -66.7 | -44.9 | 172.6 | -67.6 | 173.8 | -179.8 | 0 | 0 | 111.6 | I155 S156 Y157 K161 G162 D166 L171 | I155-M159 HydrophobicContact CG2-CE 3.43Å; I155-M159 VanDerWaalsContact CG2-CE 3.43Å; I155-M159 HydrophobicContact CG2-SD 4.12Å; I155-M159 WeakPolarHBondContact O-CG 3.42Å; I155-M159 PolarHBondContact O-N 3.25Å; S156-M159 PolarHBondContact O-N 2.65Å; Y157-M159 VanDerWaalsContact C-N 3.26Å; Y157-M159 PolarHBondContact O-N 2.91Å; M159-K161 PolarHBondContact O-N 3.04Å; M159-G162 WeakPolarHBondContact O-CA 3.5Å; M159-G162 PolarHBondContact O-N 3.29Å; M159-D166 HydrophobicContact CE-CB 3.42Å; M159-D166 VanDerWaalsContact CE-CB 3.42Å; M159-D166 HydrophobicContact SD-CB 4.07Å; M159-L171 HydrophobicContact CE-CD1 4.33Å; M159-L171 HydrophobicContact CE-CD2 4.04Å |
| 160 | S | 96.3 | Very high | 96 | Very high | 84 Ų | 84 | 48.5 Ų | 48.5 | 59% | 0.587 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -60.5 | -30.2 | 178.2 | 81 | 0 | 0 | 0 | 0 | 113.6 | S156 Y157 | S156-S160 WeakPolarHBondContact O-CB 3.4Å; S156-S160 PolarHBondContact O-N 3.16Å; Y157-S160 WeakPolarHBondContact O-CB 3.47Å; Y157-S160 PolarHBondContact O-N 3.12Å; Y157-S160 PolarHBondContact O-OG 3.44Å |
| 161 | K | 94.7 | Very high | 96 | Very high | 89 Ų | 89 | 46 Ų | 46 | 39% | 0.387 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -1.4 | 174.4 | -51.5 | -44.3 | -177.9 | -165.9 | 0 | 113.3 | Y157 M159 I163 | Y157-K161 HydrophobicContact CD1-CG 4.07Å; Y157-K161 HydrophobicContact CE1-CD 4.37Å; Y157-K161 HydrophobicContact CE1-CG 3.52Å; Y157-K161 HydrophobicContact CE2-CG 4.49Å; Y157-K161 WeakPolarHBondContact O-CG 3.31Å; Y157-K161 PolarHBondContact O-N 3Å; Y157-K161 VanDerWaalsContact OH-CE 3.25Å; Y157-K161 WeakPolarHBondContact OH-CE 3.4Å; M159-K161 PolarHBondContact O-N 3.04Å; K161-I163 HydrophobicContact CB-CD1 3.73Å; K161-I163 HydrophobicContact CB-CG1 3.82Å; K161-I163 HydrophobicContact CG-CD1 4.32Å; K161-I163 PolarHBondContact O-N 3.12Å |
| 162 | G | 93.8 | Very high | 96 | Very high | 29 Ų | 29 | 45.6 Ų | 45.6 | 30% | 0.299 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.9 | 8.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | K125 F158 M159 | K125-G162 PolarHBondContact NZ-O 2.9Å; F158-G162 PolarHBondContact O-N 3.48Å; M159-G162 WeakPolarHBondContact O-CA 3.5Å; M159-G162 PolarHBondContact O-N 3.29Å |
| 163 | I | 95.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -67.6 | -44.4 | -176 | -64.7 | 172.9 | 0 | 0 | 0 | 110.5 | C120 S121 I122 L136 Q139 L140 F158 K161 | C120-I163 HydrophobicContact CB-CG2 4.23Å; S121-I163 PolarHBondContact N-O 2.95Å; I122-I163 HydrophobicContact CG2-CG2 4.21Å; I122-I163 PolarHBondContact N-O 2.86Å; L136-I163 HydrophobicContact CD1-CD1 3.66Å; L136-I163 HydrophobicContact CD1-CG1 3.65Å; L136-I163 HydrophobicContact CD1-CG2 4.41Å; Q139-I163 HydrophobicContact CB-CD1 3.91Å; L140-I163 HydrophobicContact CD2-CD1 4.49Å; L140-I163 HydrophobicContact CD2-CG2 3.65Å; F158-I163 HydrophobicContact CB-CB 4.45Å; F158-I163 HydrophobicContact CD1-CD1 4.25Å; F158-I163 HydrophobicContact CD1-CG2 4.37Å; F158-I163 WeakPolarHBondContact O-CB 3.42Å; F158-I163 PolarHBondContact O-N 2.68Å; K161-I163 HydrophobicContact CB-CD1 3.73Å; K161-I163 HydrophobicContact CB-CG1 3.82Å; K161-I163 HydrophobicContact CG-CD1 4.32Å; K161-I163 PolarHBondContact O-N 3.12Å |
| 164 | L | 95.8 | Very high | 96.1 | Very high | 4 Ų | 4 | 39.9 Ų | 39.9 | 2% | 0.021 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -112.4 | 171.3 | 174.9 | -62.4 | -179.1 | 0 | 0 | 0 | 111.1 | C120 F158 L171 F174 | C120-L164 HydrophobicContact CB-CD2 4.49Å; F158-L164 HydrophobicContact CB-CB 4.15Å; F158-L164 HydrophobicContact CB-CD1 3.74Å; F158-L164 HydrophobicContact CB-CG 3.87Å; F158-L164 HydrophobicContact CD2-CD1 3.87Å; F158-L164 HydrophobicContact CG-CD1 4Å; F158-L164 HydrophobicContact CG-CG 4.42Å; F158-L164 PolarHBondContact O-N 3.2Å; L164-L171 HydrophobicContact CB-CD2 4.43Å; L164-L171 HydrophobicContact CD1-CD2 4.1Å; L164-F174 HydrophobicContact CD1-CB 4.31Å; L164-F174 HydrophobicContact CD1-CD1 3.71Å; L164-F174 HydrophobicContact CD1-CD2 4.04Å; L164-F174 HydrophobicContact CD1-CE1 3.96Å; L164-F174 HydrophobicContact CD1-CE2 4.27Å; L164-F174 HydrophobicContact CD1-CG 3.76Å; L164-F174 HydrophobicContact CD1-CZ 4.24Å; L164-F174 HydrophobicContact CD2-CB 3.88Å; L164-F174 HydrophobicContact CD2-CD2 3.72Å; L164-F174 HydrophobicContact CD2-CE2 4.42Å; L164-F174 HydrophobicContact CD2-CG 3.84Å; L164-F174 HydrophobicContact CG-CD2 4.37Å; L164-F174 HydrophobicContact CG-CG 4.42Å |
| 165 | V | 94.9 | Very high | 96 | Very high | 65 Ų | 65 | 40.6 Ų | 40.6 | 39% | 0.394 | 22% | 0.221 | S | C | . | . | trans | -127.4 | 142.8 | 171.5 | 177.3 | 0 | 0 | 0 | 0 | 106.8 | H167 | V165-H167 HydrophobicContact CG1-CB 4.37Å; V165-H167 PolarHBondContact O-N 2.86Å | ||
| 166 | D | 95 | Very high | 95.8 | Very high | 94 Ų | 94 | 42.6 Ų | 42.6 | 50% | 0.503 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -72.4 | 85.3 | 171.6 | -163.9 | 8.5 | 0 | 0 | 0 | 109.8 | M159 R193 | M159-D166 HydrophobicContact CE-CB 3.42Å; M159-D166 VanDerWaalsContact CE-CB 3.42Å; M159-D166 HydrophobicContact SD-CB 4.07Å; D166-R193 IonicContact OD1-CZ 2.69Å; D166-R193 IonicContact OD1-NH1 3.16Å; D166-R193 PolarHBondContact OD1-NH1 3.15Å; D166-R193 IonicContact OD1-NH2 3.85Å; D166-R193 PolarHBondContact OD1-NH2 3.05Å; D166-R193 IonicContact OD2-NH1 2.75Å |
| 167 | H | 96.1 | Very high | 95.7 | Very high | 90 Ų | 90 | 45 Ų | 45 | 42% | 0.417 | 23% | 0.229 | S | C | . | . | trans | -147.2 | 125.5 | 174.6 | -175.4 | -76 | 0 | 0 | 0 | 107.9 | V165 K169 E170 L171 | V165-H167 HydrophobicContact CG1-CB 4.37Å; V165-H167 PolarHBondContact O-N 2.86Å; H167-K169 VanDerWaalsContact C-N 3.32Å; H167-K169 PolarHBondContact ND1-N 3.1Å; H167-K169 PolarHBondContact O-N 3Å; H167-K169 VanDerWaalsContact O-N 3.14Å; H167-E170 HydrophobicContact CB-CB 4.38Å; H167-E170 HydrophobicContact CB-CG 4.37Å; H167-E170 PolarHBondContact O-N 3.3Å; H167-L171 PolarHBondContact O-N 3.07Å; H167-L171 VanDerWaalsContact O-N 3.17Å | ||
| 168 | P | 96.5 | Very high | 95.5 | Very high | 33 Ų | 33 | 44.8 Ų | 44.8 | 21% | 0.214 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -55.1 | -43.5 | -167.8 | -29.7 | 37.2 | 0 | 0 | 0 | 113.8 | E170 L171 A172 D195 V196 E199 | P168-E170 VanDerWaalsContact C-N 3.26Å; P168-E170 PolarHBondContact O-N 2.96Å; P168-L171 PolarHBondContact O-N 3.11Å; P168-A172 VanDerWaalsContact O-CB 3.22Å; P168-A172 WeakPolarHBondContact O-CB 3.41Å; P168-A172 PolarHBondContact O-N 3.37Å; P168-D195 HydrophobicContact CG-CB 4.28Å; P168-D195 VanDerWaalsContact CG-OD2 3.29Å; P168-D195 WeakPolarHBondContact CG-OD2 3.27Å; P168-V196 HydrophobicContact CB-CG2 4.43Å; P168-E199 HydrophobicContact CB-CG 3.89Å |
| 169 | K | 96.2 | Very high | 95 | Very high | 103 Ų | 103 | 54.9 Ų | 54.9 | 45% | 0.448 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -61 | -26.5 | 176.1 | -65 | -176.8 | 179.5 | 178.7 | 0 | 115 | H167 K173 E199 | H167-K169 VanDerWaalsContact C-N 3.32Å; H167-K169 PolarHBondContact ND1-N 3.1Å; H167-K169 PolarHBondContact O-N 3Å; H167-K169 VanDerWaalsContact O-N 3.14Å; K169-K173 VanDerWaalsContact O-CD 3.27Å; K169-K173 WeakPolarHBondContact O-CD 3.36Å; K169-K173 VanDerWaalsContact O-CE 3.28Å; K169-K173 WeakPolarHBondContact O-CE 3.37Å; K169-K173 WeakPolarHBondContact O-CG 3.36Å; K169-K173 PolarHBondContact O-N 2.99Å; K169-E199 WeakPolarHBondContact CE-OE1 3.48Å; K169-E199 WeakPolarHBondContact CE-OE2 3.49Å; K169-E199 HydrophobicContact CG-CB 4.47Å; K169-E199 HydrophobicContact CG-CG 3.84Å; K169-E199 WeakPolarHBondContact CG-OE1 3.22Å; K169-E199 WeakPolarHBondContact CG-OE2 3.49Å; K169-E199 IonicContact NZ-OE1 2.79Å |
| 170 | E | 95.9 | Very high | 94.8 | Very high | 31 Ų | 31 | 57.2 Ų | 57.2 | 15% | 0.145 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -87.4 | -40 | -179 | -73.4 | -66.8 | 108.9 | 0 | 0 | 111 | H119 S121 H167 P168 K173 F174 | H119-E170 IonicContact CE1-OE1 2.67Å; H119-E170 PolarHBondContact CE1-OE1 3.5Å; H119-E170 IonicContact CE1-OE2 2.97Å; H119-E170 PolarHBondContact CE1-OE2 3.14Å; H119-E170 VanDerWaalsContact CE1-OE2 3.24Å; H119-E170 VanDerWaalsContact NE2-CD 3.3Å; H119-E170 IonicContact NE2-OE1 3.72Å; H119-E170 PolarHBondContact NE2-OE1 2.77Å; H119-E170 IonicContact NE2-OE2 3.42Å; H119-E170 PolarHBondContact NE2-OE2 3.09Å; S121-E170 WeakPolarHBondContact CB-OE2 3.4Å; S121-E170 PolarHBondContact OG-OE2 3.2Å; H167-E170 HydrophobicContact CB-CB 4.38Å; H167-E170 HydrophobicContact CB-CG 4.37Å; H167-E170 PolarHBondContact O-N 3.3Å; P168-E170 VanDerWaalsContact C-N 3.26Å; P168-E170 PolarHBondContact O-N 2.96Å; E170-K173 PolarHBondContact O-N 3.42Å; E170-K173 IonicContact OE1-NZ 2.71Å; E170-K173 PolarHBondContact OE1-NZ 2.97Å; E170-F174 WeakPolarHBondContact O-CB 3.37Å; E170-F174 PolarHBondContact O-N 3.14Å |
| 171 | L | 96.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -64 | -45.2 | 172.7 | -60.1 | 172 | 0 | 0 | 0 | 110.9 | I155 M159 L164 H167 P168 K173 F174 I175 V196 | I155-L171 HydrophobicContact CG2-CD2 4.34Å; M159-L171 HydrophobicContact CE-CD1 4.33Å; M159-L171 HydrophobicContact CE-CD2 4.04Å; L164-L171 HydrophobicContact CB-CD2 4.43Å; L164-L171 HydrophobicContact CD1-CD2 4.1Å; H167-L171 PolarHBondContact O-N 3.07Å; H167-L171 VanDerWaalsContact O-N 3.17Å; P168-L171 PolarHBondContact O-N 3.11Å; L171-K173 PolarHBondContact O-N 3.42Å; L171-F174 PolarHBondContact O-N 3Å; L171-I175 WeakPolarHBondContact O-CB 3.42Å; L171-I175 WeakPolarHBondContact O-CG1 3.23Å; L171-I175 PolarHBondContact O-N 2.98Å; L171-V196 HydrophobicContact CB-CG1 3.88Å; L171-V196 HydrophobicContact CB-CG2 4.06Å; L171-V196 HydrophobicContact CD1-CG2 3.84Å |
| 172 | A | 96.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59.4 | -43.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | P168 I175 F176 V196 E199 L200 L203 | P168-A172 VanDerWaalsContact O-CB 3.22Å; P168-A172 WeakPolarHBondContact O-CB 3.41Å; P168-A172 PolarHBondContact O-N 3.37Å; A172-I175 PolarHBondContact O-N 3.31Å; A172-F176 VanDerWaalsContact O-CB 3.28Å; A172-F176 WeakPolarHBondContact O-CB 3.42Å; A172-F176 PolarHBondContact O-N 2.94Å; A172-V196 HydrophobicContact CB-CG1 4.25Å; A172-E199 HydrophobicContact CB-CB 3.68Å; A172-L200 HydrophobicContact CB-CB 4.13Å; A172-L203 HydrophobicContact CB-CD1 4.14Å; A172-L203 WeakPolarHBondContact O-CD1 3.47Å |
| 173 | K | 96.2 | Very high | 94.3 | Very high | 63 Ų | 63 | 55.5 Ų | 55.5 | 27% | 0.274 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -65.5 | -43.8 | 174.8 | -70.1 | 167.1 | -158.6 | 169.2 | 0 | 112.1 | H119 K169 E170 L171 I175 F176 Y177 L203 | H119-K173 HydrophobicContact CB-CB 3.9Å; H119-K173 VanDerWaalsContact CD2-CB 3.44Å; H119-K173 WeakPolarHBondContact CD2-CB 3.46Å; H119-K173 VanDerWaalsContact CG-CB 3.46Å; K169-K173 VanDerWaalsContact O-CD 3.27Å; K169-K173 WeakPolarHBondContact O-CD 3.36Å; K169-K173 VanDerWaalsContact O-CE 3.28Å; K169-K173 WeakPolarHBondContact O-CE 3.37Å; K169-K173 WeakPolarHBondContact O-CG 3.36Å; K169-K173 PolarHBondContact O-N 2.99Å; E170-K173 PolarHBondContact O-N 3.42Å; E170-K173 IonicContact OE1-NZ 2.71Å; E170-K173 PolarHBondContact OE1-NZ 2.97Å; L171-K173 PolarHBondContact O-N 3.42Å; K173-I175 VanDerWaalsContact C-N 3.29Å; K173-I175 PolarHBondContact O-N 3.49Å; K173-F176 PolarHBondContact O-N 3.19Å; K173-Y177 HydrophobicContact CB-CD2 4.29Å; K173-Y177 VanDerWaalsContact O-CD2 3.24Å; K173-Y177 WeakPolarHBondContact O-CD2 3.45Å; K173-Y177 PolarHBondContact O-N 2.89Å; K173-L203 HydrophobicContact CB-CD1 4.49Å; K173-L203 HydrophobicContact CG-CD1 4.12Å; K173-L203 HydrophobicContact CG-CD2 4.24Å |
| 174 | F | 96.4 | Very high | 94 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -56.2 | -47.6 | 176.6 | 171 | -99.8 | 0 | 0 | 0 | 110.7 | W117 H119 L140 F158 L164 E170 L171 T178 L181 | W117-F174 HydrophobicContact CB-CE2 4.43Å; W117-F174 AromaticContact CD1-CE2 3.57Å; W117-F174 AromaticContact CD1-CZ 3.87Å; W117-F174 HydrophobicContact CG-CE2 4.3Å; H119-F174 WeakPolarHBondContact O-CD2 3.36Å; L140-F174 HydrophobicContact CD2-CE2 4.32Å; F158-F174 HydrophobicContact CD2-CE1 4.17Å; F158-F174 HydrophobicContact CD2-CZ 4.05Å; F158-F174 HydrophobicContact CE1-CZ 4.26Å; F158-F174 AromaticContact CE2-CE1 3.73Å; F158-F174 HydrophobicContact CE2-CE1 3.73Å; F158-F174 AromaticContact CE2-CZ 3.49Å; F158-F174 HydrophobicContact CE2-CZ 3.49Å; F158-F174 VanDerWaalsContact CE2-CZ 3.49Å; F158-F174 HydrophobicContact CZ-CE1 4.29Å; F158-F174 HydrophobicContact CZ-CE2 4.5Å; F158-F174 AromaticContact CZ-CZ 3.6Å; F158-F174 HydrophobicContact CZ-CZ 3.6Å; L164-F174 HydrophobicContact CD1-CB 4.31Å; L164-F174 HydrophobicContact CD1-CD1 3.71Å; L164-F174 HydrophobicContact CD1-CD2 4.04Å; L164-F174 HydrophobicContact CD1-CE1 3.96Å; L164-F174 HydrophobicContact CD1-CE2 4.27Å; L164-F174 HydrophobicContact CD1-CG 3.76Å; L164-F174 HydrophobicContact CD1-CZ 4.24Å; L164-F174 HydrophobicContact CD2-CB 3.88Å; L164-F174 HydrophobicContact CD2-CD2 3.72Å; L164-F174 HydrophobicContact CD2-CE2 4.42Å; L164-F174 HydrophobicContact CD2-CG 3.84Å; L164-F174 HydrophobicContact CG-CD2 4.37Å; L164-F174 HydrophobicContact CG-CG 4.42Å; E170-F174 WeakPolarHBondContact O-CB 3.37Å; E170-F174 PolarHBondContact O-N 3.14Å; L171-F174 PolarHBondContact O-N 3Å; F174-T178 WeakPolarHBondContact O-CB 3.44Å; F174-T178 WeakPolarHBondContact O-CG2 3.36Å; F174-T178 PolarHBondContact O-N 2.78Å; F174-T178 VanDerWaalsContact O-N 3.12Å; F174-L181 HydrophobicContact CD1-CD1 4.42Å; F174-L181 HydrophobicContact CE1-CD1 3.9Å; F174-L181 HydrophobicContact CE1-CD2 4.42Å |
| 175 | I | 94.9 | Very high | 93.9 | Very high | 14 Ų | 14 | 62.4 Ų | 62.4 | 7% | 0.072 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.7 | -45.9 | 176 | -71.6 | 169.3 | 0 | 0 | 0 | 112 | L171 A172 K173 Y177 L181 L186 Y189 L190 V196 L200 | L171-I175 WeakPolarHBondContact O-CB 3.42Å; L171-I175 WeakPolarHBondContact O-CG1 3.23Å; L171-I175 PolarHBondContact O-N 2.98Å; A172-I175 PolarHBondContact O-N 3.31Å; K173-I175 VanDerWaalsContact C-N 3.29Å; K173-I175 PolarHBondContact O-N 3.49Å; I175-Y177 VanDerWaalsContact C-N 3.35Å; I175-Y177 PolarHBondContact O-N 3.4Å; I175-L181 HydrophobicContact CG1-CD1 4.22Å; I175-L186 HydrophobicContact CB-CD1 4.35Å; I175-L186 HydrophobicContact CD1-CD1 4.09Å; I175-L186 HydrophobicContact CG1-CD1 3.9Å; I175-L186 HydrophobicContact CG2-CD1 3.63Å; I175-L186 HydrophobicContact CG2-CD2 3.87Å; I175-L186 HydrophobicContact CG2-CG 4.22Å; I175-Y189 HydrophobicContact CD1-CD1 4.1Å; I175-Y189 HydrophobicContact CD1-CE1 4.1Å; I175-L190 HydrophobicContact CD1-CD2 4.25Å; I175-V196 HydrophobicContact CD1-CG1 3.89Å; I175-L200 HydrophobicContact CB-CD1 4.43Å; I175-L200 HydrophobicContact CG2-CD1 3.87Å; I175-L200 HydrophobicContact CG2-CD2 3.87Å |
| 176 | F | 94.1 | Very high | 93.8 | Very high | 47 Ų | 47 | 60 Ų | 60 | 21% | 0.206 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -68.2 | -31.4 | -176.7 | -170 | -93.6 | 0 | 0 | 0 | 113.5 | A172 K173 L200 L203 H204 | A172-F176 VanDerWaalsContact O-CB 3.28Å; A172-F176 WeakPolarHBondContact O-CB 3.42Å; A172-F176 PolarHBondContact O-N 2.94Å; K173-F176 PolarHBondContact O-N 3.19Å; F176-L200 HydrophobicContact CB-CD1 3.77Å; F176-L200 HydrophobicContact CD2-CD1 3.91Å; F176-L200 HydrophobicContact CG-CD1 4.34Å; F176-L203 HydrophobicContact CB-CD1 3.62Å; F176-L203 HydrophobicContact CD1-CB 4.41Å; F176-L203 HydrophobicContact CD1-CD1 4.5Å; F176-L203 HydrophobicContact CD2-CB 3.9Å; F176-L203 HydrophobicContact CD2-CD1 4.37Å; F176-L203 HydrophobicContact CE2-CB 4.09Å; F176-L203 HydrophobicContact CG-CB 4.07Å; F176-L203 HydrophobicContact CG-CD1 3.94Å; F176-L203 HydrophobicContact CZ-CB 4.42Å; F176-H204 AromaticContact CE2-CE1 3.66Å; F176-H204 AromaticContact CE2-ND1 3.75Å; F176-H204 AromaticContact CE2-NE2 3.91Å |
| 177 | Y | 94.1 | Very high | 93.6 | Very high | 119 Ų | 119 | 57.8 Ų | 57.8 | 47% | 0.467 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -106.5 | 4.7 | -174.9 | -65.3 | -65.5 | 0 | 0 | 0 | 114.8 | G118 H119 K173 I175 | G118-Y177 PolarHBondContact N-O 3.33Å; H119-Y177 HydrophobicContact CB-CD2 3.95Å; K173-Y177 HydrophobicContact CB-CD2 4.29Å; K173-Y177 VanDerWaalsContact O-CD2 3.24Å; K173-Y177 WeakPolarHBondContact O-CD2 3.45Å; K173-Y177 PolarHBondContact O-N 2.89Å; I175-Y177 VanDerWaalsContact C-N 3.35Å; I175-Y177 PolarHBondContact O-N 3.4Å |
| 178 | T | 92.6 | Very high | 93.3 | Very high | 18 Ų | 18 | 57.6 Ų | 57.6 | 11% | 0.11 | 25% | 0.252 | C | S | . | . | B | Isolated β-bridge | trans | -96.9 | 152.1 | 172.4 | -176.1 | 0 | 0 | 0 | 0 | 112.4 | F174 R180 L181 | F174-T178 WeakPolarHBondContact O-CB 3.44Å; F174-T178 WeakPolarHBondContact O-CG2 3.36Å; F174-T178 PolarHBondContact O-N 2.78Å; F174-T178 VanDerWaalsContact O-N 3.12Å; T178-R180 PolarHBondContact OG1-N 2.97Å; T178-L181 HydrophobicContact CG2-CB 4.4Å; T178-L181 HydrophobicContact CG2-CD1 3.6Å; T178-L181 HydrophobicContact CG2-CG 3.58Å |
| 179 | R | 86.4 | Confident | 93.2 | Very high | 212 Ų | 212 | 56 Ų | 56 | 80% | 0.8 | 24% | 0.241 | S | C | * | . | S | Bend | trans | -117 | 9.7 | 174.2 | -58.4 | -179.2 | -175.4 | 135.9 | -2.2 | 113.5 | S115 T116 | S115-R179 PolarHBondContact O-NH1 2.87Å; T116-R179 PolarHBondContact O-N 3.08Å |
| 180 | R | 91.8 | Very high | 93 | Very high | 106 Ų | 106 | 51.1 Ų | 51.1 | 40% | 0.4 | 22% | 0.22 | S | C | . | . | trans | -104.2 | -12.1 | -173.1 | -59.9 | -68.5 | -79.2 | 177 | -2.6 | 114.7 | T116 W117 D141 N148 T178 | T116-R180 HydrophobicContact CG2-CG 3.49Å; T116-R180 VanDerWaalsContact CG2-CG 3.49Å; W117-R180 HydrophobicContact CH2-CG 4.46Å; W117-R180 HydrophobicContact CZ2-CB 4.3Å; W117-R180 HydrophobicContact CZ2-CG 3.69Å; D141-R180 VanDerWaalsContact CG-NH2 3.29Å; D141-R180 IonicContact OD1-CZ 3.4Å; D141-R180 IonicContact OD1-NE 2.72Å; D141-R180 PolarHBondContact OD1-NE 3.21Å; D141-R180 IonicContact OD1-NH2 3.39Å; D141-R180 PolarHBondContact OD1-NH2 3.36Å; D141-R180 IonicContact OD2-NH2 3.76Å; D141-R180 PolarHBondContact OD2-NH2 2.86Å; D141-R180 VanDerWaalsContact OD2-NH2 3.12Å; N148-R180 PolarHBondContact ND2-O 3.37Å; T178-R180 PolarHBondContact OG1-N 2.97Å | ||
| 181 | L | 93.5 | Very high | 92.7 | Very high | 30 Ų | 30 | 52.6 Ų | 52.6 | 16% | 0.157 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -86 | 140.2 | -176.8 | -53.1 | -176.5 | 0 | 0 | 0 | 112.1 | F147 N148 F174 I175 T178 L186 | F147-L181 HydrophobicContact CB-CD2 4.06Å; F147-L181 HydrophobicContact CD1-CB 4.07Å; F147-L181 HydrophobicContact CD1-CD1 4.3Å; F147-L181 HydrophobicContact CD1-CD2 3.68Å; F147-L181 HydrophobicContact CD1-CG 4.2Å; F147-L181 HydrophobicContact CE1-CB 4.05Å; F147-L181 HydrophobicContact CE1-CD1 4.14Å; F147-L181 HydrophobicContact CE1-CD2 4.33Å; F147-L181 HydrophobicContact CE1-CG 4.39Å; F147-L181 HydrophobicContact CG-CD2 3.88Å; F147-L181 HydrophobicContact CZ-CD1 4.38Å; N148-L181 WeakPolarHBondContact OD1-CA 3.36Å; F174-L181 HydrophobicContact CD1-CD1 4.42Å; F174-L181 HydrophobicContact CE1-CD1 3.9Å; F174-L181 HydrophobicContact CE1-CD2 4.42Å; I175-L181 HydrophobicContact CG1-CD1 4.22Å; T178-L181 HydrophobicContact CG2-CB 4.4Å; T178-L181 HydrophobicContact CG2-CD1 3.6Å; T178-L181 HydrophobicContact CG2-CG 3.58Å; L181-L186 HydrophobicContact CB-CD1 4.41Å; L181-L186 HydrophobicContact CD1-CD1 3.9Å |
| 182 | N | 92.7 | Very high | 92.5 | Very high | 69 Ų | 69 | 58.5 Ų | 58.5 | 37% | 0.369 | 26% | 0.257 | S | S | . | . | trans | -79.6 | 122.7 | 176.4 | -174.4 | -46.9 | 0 | 0 | 0 | 110 | N148 K184 M185 L186 | N148-N182 HydrophobicContact CB-CB 4.22Å; N148-N182 WeakPolarHBondContact OD1-CB 3.34Å; N148-N182 PolarHBondContact OD1-N 2.97Å; N182-K184 PolarHBondContact O-N 3.37Å; N182-K184 VanDerWaalsContact O-N 3.13Å; N182-K184 WeakPolarHBondContact OD1-CB 3.4Å; N182-K184 PolarHBondContact OD1-N 3.12Å; N182-M185 HydrophobicContact CB-CG 4.5Å; N182-M185 PolarHBondContact O-N 3.41Å; N182-M185 VanDerWaalsContact O-N 3.1Å; N182-L186 PolarHBondContact O-N 2.9Å | ||
| 183 | W | 88.7 | Confident | 92.4 | Very high | 68 Ų | 68 | 60.9 Ų | 60.9 | 26% | 0.258 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -60.5 | -24.6 | -176.5 | 68.5 | -103.3 | 0 | 0 | 0 | 114.5 | L186 R187 H223 E226 | W183-L186 PolarHBondContact O-N 2.89Å; W183-R187 PolarHBondContact O-N 3.47Å; W183-H223 HydrophobicContact CB-CB 3.93Å; W183-H223 WeakPolarHBondContact CB-CD2 3.47Å; W183-H223 AromaticContact CD1-CD2 3.81Å; W183-H223 AromaticContact CD1-CE1 3.82Å; W183-H223 AromaticContact CD1-CG 3.83Å; W183-H223 AromaticContact CD1-ND1 3.86Å; W183-H223 AromaticContact CD1-NE2 3.78Å; W183-H223 HydrophobicContact CD2-CB 3.79Å; W183-H223 AromaticContact CD2-CG 3.9Å; W183-H223 HydrophobicContact CE3-CB 3.86Å; W183-H223 HydrophobicContact CG-CB 3.86Å; W183-H223 AromaticContact CG-CD2 3.6Å; W183-H223 AromaticContact CG-CG 3.56Å; W183-E226 HydrophobicContact CH2-CG 4.32Å |
| 184 | K | 89.9 | Confident | 92.1 | Very high | 102 Ų | 102 | 62.3 Ų | 62.3 | 44% | 0.443 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -69.7 | -44.4 | 175.7 | -62.7 | -164.2 | 174.6 | -137.7 | 0 | 111.2 | N182 L186 R187 I188 E226 | N182-K184 PolarHBondContact O-N 3.37Å; N182-K184 VanDerWaalsContact O-N 3.13Å; N182-K184 WeakPolarHBondContact OD1-CB 3.4Å; N182-K184 PolarHBondContact OD1-N 3.12Å; K184-L186 VanDerWaalsContact C-N 3.35Å; K184-R187 PolarHBondContact O-N 3.1Å; K184-I188 WeakPolarHBondContact O-CG1 3.36Å; K184-I188 PolarHBondContact O-N 3.1Å; K184-E226 IonicContact NZ-OE1 3.48Å; K184-E226 PolarHBondContact NZ-OE1 3.37Å |
| 185 | M | 93.3 | Very high | 92.1 | Very high | 47 Ų | 47 | 65.3 Ų | 65.3 | 23% | 0.232 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -70.7 | -33.7 | 173.6 | -59.5 | -49.9 | -173.9 | 0 | 0 | 111.6 | F147 N148 A149 P151 N182 R187 I188 Y189 | F147-M185 HydrophobicContact CD1-CB 4.21Å; F147-M185 HydrophobicContact CE1-CB 3.88Å; F147-M185 WeakPolarHBondContact O-CB 3.32Å; N148-M185 WeakPolarHBondContact O-CE 3.13Å; A149-M185 WeakPolarHBondContact O-CE 3.33Å; P151-M185 HydrophobicContact CB-CB 4.31Å; P151-M185 HydrophobicContact CG-CB 4.39Å; N182-M185 HydrophobicContact CB-CG 4.5Å; N182-M185 PolarHBondContact O-N 3.41Å; N182-M185 VanDerWaalsContact O-N 3.1Å; M185-R187 VanDerWaalsContact C-N 3.34Å; M185-R187 PolarHBondContact O-N 3.27Å; M185-I188 PolarHBondContact O-N 3.28Å; M185-I188 HydrophobicContact SD-CD1 4.01Å; M185-Y189 WeakPolarHBondContact O-CB 3.33Å; M185-Y189 PolarHBondContact O-N 3.5Å |
| 186 | L | 92.8 | Very high | 92.1 | Very high | 13 Ų | 13 | 64.7 Ų | 64.7 | 7% | 0.068 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -59.9 | -42.4 | 173.1 | -159.4 | 82.2 | 0 | 0 | 0 | 112 | F147 I175 L181 N182 W183 K184 Y189 L190 | F147-L186 HydrophobicContact CE1-CD1 4.19Å; F147-L186 HydrophobicContact CZ-CD1 4Å; I175-L186 HydrophobicContact CB-CD1 4.35Å; I175-L186 HydrophobicContact CD1-CD1 4.09Å; I175-L186 HydrophobicContact CG1-CD1 3.9Å; I175-L186 HydrophobicContact CG2-CD1 3.63Å; I175-L186 HydrophobicContact CG2-CD2 3.87Å; I175-L186 HydrophobicContact CG2-CG 4.22Å; L181-L186 HydrophobicContact CB-CD1 4.41Å; L181-L186 HydrophobicContact CD1-CD1 3.9Å; N182-L186 PolarHBondContact O-N 2.9Å; W183-L186 PolarHBondContact O-N 2.89Å; K184-L186 VanDerWaalsContact C-N 3.35Å; L186-Y189 PolarHBondContact O-N 3.24Å; L186-L190 HydrophobicContact CD2-CD1 3.91Å; L186-L190 HydrophobicContact CG-CD1 3.8Å; L186-L190 HydrophobicContact CG-CG 4.38Å; L186-L190 WeakPolarHBondContact O-CB 3.41Å; L186-L190 VanDerWaalsContact O-CG 3.22Å; L186-L190 WeakPolarHBondContact O-CG 3.36Å; L186-L190 PolarHBondContact O-N 3.46Å |
| 187 | R | 90.1 | Very high | 92.2 | Very high | 48 Ų | 48 | 62.4 Ų | 62.4 | 18% | 0.181 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.3 | -48.9 | 176.1 | -179.7 | 171.8 | -57.2 | 149.3 | 6.6 | 112.2 | W183 K184 M185 Y189 L190 D191 H223 A224 Y231 | W183-R187 PolarHBondContact O-N 3.47Å; K184-R187 PolarHBondContact O-N 3.1Å; M185-R187 VanDerWaalsContact C-N 3.34Å; M185-R187 PolarHBondContact O-N 3.27Å; R187-Y189 VanDerWaalsContact C-N 3.27Å; R187-Y189 PolarHBondContact O-N 3.1Å; R187-L190 PolarHBondContact O-N 2.89Å; R187-D191 PolarHBondContact O-N 2.88Å; R187-H223 PolarHBondContact NH2-O 2.71Å; R187-A224 PolarHBondContact NH2-O 2.79Å; R187-Y231 HydrophobicContact CG-CD1 3.93Å; R187-Y231 HydrophobicContact CG-CD2 4.5Å; R187-Y231 HydrophobicContact CG-CE1 3.63Å; R187-Y231 HydrophobicContact CG-CE2 4.24Å; R187-Y231 HydrophobicContact CG-CG 4.36Å |
| 188 | I | 91 | Very high | 92.1 | Very high | 86 Ų | 86 | 60.2 Ų | 60.2 | 44% | 0.441 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -56.8 | -46.5 | 178.4 | -64.3 | 165.9 | 0 | 0 | 0 | 109.6 | P151 K184 M185 L190 E192 | P151-I188 HydrophobicContact CG-CB 4.48Å; P151-I188 HydrophobicContact CG-CG2 4.25Å; K184-I188 WeakPolarHBondContact O-CG1 3.36Å; K184-I188 PolarHBondContact O-N 3.1Å; M185-I188 PolarHBondContact O-N 3.28Å; M185-I188 HydrophobicContact SD-CD1 4.01Å; I188-L190 PolarHBondContact O-N 2.67Å; I188-E192 PolarHBondContact O-N 3.03Å |
| 189 | Y | 93.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.9 | -43.8 | 177.1 | -172.4 | -106 | 0 | 0 | 0 | 113.8 | F147 P151 I155 I175 M185 L186 R187 R193 V196 | F147-Y189 HydrophobicContact CE2-CD2 4.43Å; F147-Y189 HydrophobicContact CE2-CG 4.15Å; F147-Y189 HydrophobicContact CZ-CG 4.32Å; P151-Y189 HydrophobicContact CB-CD2 4.21Å; P151-Y189 HydrophobicContact CB-CG 4.41Å; I155-Y189 HydrophobicContact CB-CE2 4.24Å; I155-Y189 HydrophobicContact CG1-CD2 4.19Å; I155-Y189 HydrophobicContact CG1-CE1 4.38Å; I155-Y189 HydrophobicContact CG1-CE2 3.66Å; I155-Y189 HydrophobicContact CG2-CE2 4.42Å; I175-Y189 HydrophobicContact CD1-CD1 4.1Å; I175-Y189 HydrophobicContact CD1-CE1 4.1Å; M185-Y189 WeakPolarHBondContact O-CB 3.33Å; M185-Y189 PolarHBondContact O-N 3.5Å; L186-Y189 PolarHBondContact O-N 3.24Å; R187-Y189 VanDerWaalsContact C-N 3.27Å; R187-Y189 PolarHBondContact O-N 3.1Å; Y189-R193 HydrophobicContact CE1-CB 4.18Å; Y189-R193 HydrophobicContact CE1-CG 4.27Å; Y189-R193 HydrophobicContact CE2-CG 3.91Å; Y189-R193 WeakPolarHBondContact O-CB 3.37Å; Y189-R193 PolarHBondContact O-N 3.26Å; Y189-V196 HydrophobicContact CE1-CG1 4.34Å; Y189-V196 HydrophobicContact CE1-CG2 4.39Å |
| 190 | L | 92.7 | Very high | 92.7 | Very high | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -77.9 | -21.7 | -175.5 | -70.4 | 171.1 | 0 | 0 | 0 | 113.9 | I175 L186 R187 I188 R193 R194 V196 L197 L200 Y231 | I175-L190 HydrophobicContact CD1-CD2 4.25Å; L186-L190 HydrophobicContact CD2-CD1 3.91Å; L186-L190 HydrophobicContact CG-CD1 3.8Å; L186-L190 HydrophobicContact CG-CG 4.38Å; L186-L190 WeakPolarHBondContact O-CB 3.41Å; L186-L190 VanDerWaalsContact O-CG 3.22Å; L186-L190 WeakPolarHBondContact O-CG 3.36Å; L186-L190 PolarHBondContact O-N 3.46Å; R187-L190 PolarHBondContact O-N 2.89Å; I188-L190 PolarHBondContact O-N 2.67Å; L190-R193 CarbonylContact O-C 3.39Å; L190-R194 PolarHBondContact O-N 3.46Å; L190-V196 HydrophobicContact CD2-CB 4.27Å; L190-V196 HydrophobicContact CD2-CG1 4Å; L190-L197 HydrophobicContact CB-CB 4.31Å; L190-L197 HydrophobicContact CB-CD1 4.39Å; L190-L197 HydrophobicContact CD1-CD1 4.3Å; L190-L197 HydrophobicContact CD2-CB 4.11Å; L190-L200 HydrophobicContact CD1-CD2 3.62Å; L190-L200 HydrophobicContact CD2-CD2 4.03Å; L190-Y231 HydrophobicContact CB-CE2 4.47Å |
| 191 | D | 89.4 | Confident | 92.9 | Very high | 62 Ų | 62 | 47 Ų | 47 | 33% | 0.332 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -75.2 | -37.3 | 172.3 | -163 | 18.6 | 0 | 0 | 0 | 111.4 | R187 R194 Y231 | R187-D191 PolarHBondContact O-N 2.88Å; D191-R194 WeakPolarHBondContact O-CG 3.23Å; D191-R194 PolarHBondContact O-NE 3.46Å; D191-R194 VanDerWaalsContact O-NE 3.16Å; D191-R194 IonicContact OD1-CZ 3.12Å; D191-R194 IonicContact OD1-NE 3.21Å; D191-R194 PolarHBondContact OD1-NE 3.24Å; D191-R194 IonicContact OD1-NH2 2.95Å; D191-R194 PolarHBondContact OD1-NH2 3.46Å; D191-Y231 HydrophobicContact CB-CD2 3.73Å; D191-Y231 HydrophobicContact CB-CE2 3.87Å |
| 192 | E | 91.6 | Very high | 93 | Very high | 123 Ų | 123 | 48.6 Ų | 48.6 | 58% | 0.575 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -73.5 | -45.2 | 171.4 | -66.5 | 178.7 | 164.6 | 0 | 0 | 112 | Q152 I188 R194 | Q152-E192 PolarHBondContact NE2-OE2 3.44Å; I188-E192 PolarHBondContact O-N 3.03Å; E192-R194 PolarHBondContact O-N 2.75Å |
| 193 | R | 93.6 | Very high | 93.1 | Very high | 50 Ų | 50 | 47.7 Ų | 47.7 | 19% | 0.189 | 23% | 0.225 | C | C | . | . | trans | -99.5 | 65.8 | 178.3 | -68.2 | -66.6 | -60.5 | -100.7 | 1.5 | 111.7 | D166 Y189 L190 D195 V196 L197 | D166-R193 IonicContact OD1-CZ 2.69Å; D166-R193 IonicContact OD1-NH1 3.16Å; D166-R193 PolarHBondContact OD1-NH1 3.15Å; D166-R193 IonicContact OD1-NH2 3.85Å; D166-R193 PolarHBondContact OD1-NH2 3.05Å; D166-R193 IonicContact OD2-NH1 2.75Å; Y189-R193 HydrophobicContact CE1-CB 4.18Å; Y189-R193 HydrophobicContact CE1-CG 4.27Å; Y189-R193 HydrophobicContact CE2-CG 3.91Å; Y189-R193 WeakPolarHBondContact O-CB 3.37Å; Y189-R193 PolarHBondContact O-N 3.26Å; L190-R193 CarbonylContact O-C 3.39Å; R193-D195 VanDerWaalsContact CA-OD1 3.25Å; R193-D195 WeakPolarHBondContact CA-OD1 3.3Å; R193-D195 WeakPolarHBondContact CB-OD1 3.34Å; R193-D195 IonicContact CZ-OD1 3.26Å; R193-D195 IonicContact CZ-OD2 3.42Å; R193-D195 IonicContact NE-OD1 2.79Å; R193-D195 PolarHBondContact NE-OD1 3.28Å; R193-D195 IonicContact NE-OD2 2.73Å; R193-D195 PolarHBondContact NE-OD2 2.88Å; R193-D195 VanDerWaalsContact NE-OD2 3.16Å; R193-D195 IonicContact NH2-OD1 2.77Å; R193-D195 IonicContact NH2-OD2 3.76Å; R193-D195 PolarHBondContact NH2-OD2 3.41Å; R193-D195 PolarHBondContact O-N 2.97Å; R193-D195 VanDerWaalsContact O-N 3.16Å; R193-V196 HydrophobicContact CB-CB 4.1Å; R193-V196 HydrophobicContact CB-CG2 3.85Å; R193-V196 WeakPolarHBondContact O-CB 3.46Å; R193-V196 PolarHBondContact O-N 2.96Å; R193-L197 PolarHBondContact O-N 3.44Å; R193-L197 VanDerWaalsContact O-N 3.13Å | ||
| 194 | R | 91.8 | Very high | 93.3 | Very high | 94 Ų | 94 | 44.8 Ų | 44.8 | 36% | 0.355 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -58.8 | -25.5 | 177.4 | -59.6 | -170.3 | 173.8 | -167.1 | -6.6 | 112.9 | L190 D191 E192 L197 D198 E230 | L190-R194 PolarHBondContact O-N 3.46Å; D191-R194 WeakPolarHBondContact O-CG 3.23Å; D191-R194 PolarHBondContact O-NE 3.46Å; D191-R194 VanDerWaalsContact O-NE 3.16Å; D191-R194 IonicContact OD1-CZ 3.12Å; D191-R194 IonicContact OD1-NE 3.21Å; D191-R194 PolarHBondContact OD1-NE 3.24Å; D191-R194 IonicContact OD1-NH2 2.95Å; D191-R194 PolarHBondContact OD1-NH2 3.46Å; E192-R194 PolarHBondContact O-N 2.75Å; R194-L197 WeakPolarHBondContact O-CB 3.48Å; R194-L197 PolarHBondContact O-N 2.75Å; R194-D198 PolarHBondContact O-N 3.38Å; R194-E230 IonicContact CZ-OE1 2.75Å; R194-E230 VanDerWaalsContact CZ-OE1 3.26Å; R194-E230 IonicContact NH1-OE1 3.55Å; R194-E230 PolarHBondContact NH1-OE1 2.92Å; R194-E230 IonicContact NH2-OE1 2.72Å; R194-E230 PolarHBondContact NH2-OE1 2.85Å |
| 195 | D | 95.3 | Very high | 93.5 | Very high | 63 Ų | 63 | 45 Ų | 45 | 34% | 0.337 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -64 | -39.8 | 171.3 | 63.8 | -43 | 0 | 0 | 0 | 113.3 | P168 R193 E199 | P168-D195 HydrophobicContact CG-CB 4.28Å; P168-D195 VanDerWaalsContact CG-OD2 3.29Å; P168-D195 WeakPolarHBondContact CG-OD2 3.27Å; R193-D195 VanDerWaalsContact CA-OD1 3.25Å; R193-D195 WeakPolarHBondContact CA-OD1 3.3Å; R193-D195 WeakPolarHBondContact CB-OD1 3.34Å; R193-D195 IonicContact CZ-OD1 3.26Å; R193-D195 IonicContact CZ-OD2 3.42Å; R193-D195 IonicContact NE-OD1 2.79Å; R193-D195 PolarHBondContact NE-OD1 3.28Å; R193-D195 IonicContact NE-OD2 2.73Å; R193-D195 PolarHBondContact NE-OD2 2.88Å; R193-D195 VanDerWaalsContact NE-OD2 3.16Å; R193-D195 IonicContact NH2-OD1 2.77Å; R193-D195 IonicContact NH2-OD2 3.76Å; R193-D195 PolarHBondContact NH2-OD2 3.41Å; R193-D195 PolarHBondContact O-N 2.97Å; R193-D195 VanDerWaalsContact O-N 3.16Å; D195-E199 PolarHBondContact O-N 3.26Å |
| 196 | V | 96 | Very high | 93.6 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -72.6 | -35.9 | 174.1 | -178.4 | 0 | 0 | 0 | 0 | 110.3 | P168 L171 A172 I175 Y189 L190 R193 L200 | P168-V196 HydrophobicContact CB-CG2 4.43Å; L171-V196 HydrophobicContact CB-CG1 3.88Å; L171-V196 HydrophobicContact CB-CG2 4.06Å; L171-V196 HydrophobicContact CD1-CG2 3.84Å; A172-V196 HydrophobicContact CB-CG1 4.25Å; I175-V196 HydrophobicContact CD1-CG1 3.89Å; Y189-V196 HydrophobicContact CE1-CG1 4.34Å; Y189-V196 HydrophobicContact CE1-CG2 4.39Å; L190-V196 HydrophobicContact CD2-CB 4.27Å; L190-V196 HydrophobicContact CD2-CG1 4Å; R193-V196 HydrophobicContact CB-CB 4.1Å; R193-V196 HydrophobicContact CB-CG2 3.85Å; R193-V196 WeakPolarHBondContact O-CB 3.46Å; R193-V196 PolarHBondContact O-N 2.96Å; V196-L200 VanDerWaalsContact O-CB 3.27Å; V196-L200 WeakPolarHBondContact O-CB 3.29Å; V196-L200 PolarHBondContact O-N 3.45Å |
| 197 | L | 94.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.3 | -42.9 | 175.4 | 179.7 | 58.8 | 0 | 0 | 0 | 112.5 | L190 R193 R194 L200 V201 Y231 T234 L235 K238 | L190-L197 HydrophobicContact CB-CB 4.31Å; L190-L197 HydrophobicContact CB-CD1 4.39Å; L190-L197 HydrophobicContact CD1-CD1 4.3Å; L190-L197 HydrophobicContact CD2-CB 4.11Å; R193-L197 PolarHBondContact O-N 3.44Å; R193-L197 VanDerWaalsContact O-N 3.13Å; R194-L197 WeakPolarHBondContact O-CB 3.48Å; R194-L197 PolarHBondContact O-N 2.75Å; L197-L200 PolarHBondContact O-N 3.05Å; L197-V201 HydrophobicContact CD1-CG2 4.28Å; L197-V201 VanDerWaalsContact O-CG2 3.31Å; L197-V201 WeakPolarHBondContact O-CG2 3.26Å; L197-V201 PolarHBondContact O-N 2.9Å; L197-Y231 HydrophobicContact CD2-CE2 4.2Å; L197-T234 HydrophobicContact CD2-CG2 4.21Å; L197-L235 HydrophobicContact CD1-CD2 3.85Å; L197-L235 HydrophobicContact CD2-CD2 4.28Å; L197-K238 HydrophobicContact CD2-CD 4.11Å; L197-K238 HydrophobicContact CG-CD 4Å |
| 198 | D | 93.9 | Very high | 93.6 | Very high | 72 Ų | 72 | 50.1 Ų | 50.1 | 39% | 0.385 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -59.5 | -51 | 176.5 | -86.5 | -55.4 | 0 | 0 | 0 | 111.9 | R194 L200 V201 T202 K238 | R194-D198 PolarHBondContact O-N 3.38Å; D198-L200 VanDerWaalsContact C-N 3.31Å; D198-L200 PolarHBondContact O-N 2.87Å; D198-V201 PolarHBondContact O-N 3.21Å; D198-T202 WeakPolarHBondContact O-CG2 3.31Å; D198-T202 PolarHBondContact O-N 3.13Å; D198-T202 VanDerWaalsContact O-N 3.11Å; D198-K238 WeakPolarHBondContact OD1-CD 3.31Å; D198-K238 IonicContact OD1-NZ 3.17Å; D198-K238 PolarHBondContact OD1-NZ 3.11Å; D198-K238 IonicContact OD2-NZ 2.7Å; D198-K238 PolarHBondContact OD2-NZ 3.02Å |
| 199 | E | 96.3 | Very high | 93.6 | Very high | 51 Ų | 51 | 48.7 Ų | 48.7 | 24% | 0.238 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.3 | -39 | 176.9 | -66 | -67.9 | -179.9 | 0 | 0 | 112 | P168 K169 A172 D195 V201 T202 L203 | P168-E199 HydrophobicContact CB-CG 3.89Å; K169-E199 WeakPolarHBondContact CE-OE1 3.48Å; K169-E199 WeakPolarHBondContact CE-OE2 3.49Å; K169-E199 HydrophobicContact CG-CB 4.47Å; K169-E199 HydrophobicContact CG-CG 3.84Å; K169-E199 WeakPolarHBondContact CG-OE1 3.22Å; K169-E199 WeakPolarHBondContact CG-OE2 3.49Å; K169-E199 IonicContact NZ-OE1 2.79Å; A172-E199 HydrophobicContact CB-CB 3.68Å; D195-E199 PolarHBondContact O-N 3.26Å; E199-V201 VanDerWaalsContact C-N 3.33Å; E199-V201 PolarHBondContact O-N 3.26Å; E199-T202 PolarHBondContact O-N 2.9Å; E199-T202 VanDerWaalsContact O-N 3.07Å; E199-T202 PolarHBondContact O-OG1 3.5Å; E199-L203 PolarHBondContact O-N 3.02Å |
| 200 | L | 95.1 | Very high | 93.6 | Very high | 4 Ų | 4 | 51.8 Ų | 51.8 | 2% | 0.021 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.4 | -38.2 | 176.1 | -179.5 | 65.2 | 0 | 0 | 0 | 112.6 | A172 I175 F176 L190 V196 L197 D198 T202 L203 H204 I222 | A172-L200 HydrophobicContact CB-CB 4.13Å; I175-L200 HydrophobicContact CB-CD1 4.43Å; I175-L200 HydrophobicContact CG2-CD1 3.87Å; I175-L200 HydrophobicContact CG2-CD2 3.87Å; F176-L200 HydrophobicContact CB-CD1 3.77Å; F176-L200 HydrophobicContact CD2-CD1 3.91Å; F176-L200 HydrophobicContact CG-CD1 4.34Å; L190-L200 HydrophobicContact CD1-CD2 3.62Å; L190-L200 HydrophobicContact CD2-CD2 4.03Å; V196-L200 VanDerWaalsContact O-CB 3.27Å; V196-L200 WeakPolarHBondContact O-CB 3.29Å; V196-L200 PolarHBondContact O-N 3.45Å; L197-L200 PolarHBondContact O-N 3.05Å; D198-L200 VanDerWaalsContact C-N 3.31Å; D198-L200 PolarHBondContact O-N 2.87Å; L200-T202 VanDerWaalsContact C-N 3.35Å; L200-L203 PolarHBondContact O-N 3.17Å; L200-H204 PolarHBondContact O-ND1 2.91Å; L200-I222 HydrophobicContact CD2-CD1 4.11Å; L200-I222 HydrophobicContact CD2-CG1 4.13Å; L200-I222 HydrophobicContact CG-CD1 4.3Å |
| 201 | V | 95.1 | Very high | 93.7 | Very high | 5 Ų | 5 | 51.8 Ų | 51.8 | 3% | 0.03 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -66.9 | -37.7 | 173.4 | 175.7 | 0 | 0 | 0 | 0 | 110.4 | L197 D198 E199 L203 H204 F218 K238 R242 | L197-V201 HydrophobicContact CD1-CG2 4.28Å; L197-V201 VanDerWaalsContact O-CG2 3.31Å; L197-V201 WeakPolarHBondContact O-CG2 3.26Å; L197-V201 PolarHBondContact O-N 2.9Å; D198-V201 PolarHBondContact O-N 3.21Å; E199-V201 VanDerWaalsContact C-N 3.33Å; E199-V201 PolarHBondContact O-N 3.26Å; V201-L203 PolarHBondContact O-N 3.39Å; V201-H204 WeakPolarHBondContact O-CB 3.32Å; V201-H204 PolarHBondContact O-N 3.24Å; V201-F218 HydrophobicContact CG1-CE2 4.38Å; V201-F218 HydrophobicContact CG2-CE2 4Å; V201-F218 HydrophobicContact CG2-CZ 4.17Å; V201-K238 HydrophobicContact CB-CB 4.48Å; V201-K238 HydrophobicContact CG1-CB 4.17Å; V201-K238 HydrophobicContact CG2-CB 3.97Å; V201-K238 HydrophobicContact CG2-CD 4.33Å; V201-R242 HydrophobicContact CG1-CB 3.7Å; V201-R242 HydrophobicContact CG1-CG 4Å |
| 202 | T | 94.9 | Very high | 93.9 | Very high | 63 Ų | 63 | 48.8 Ų | 48.8 | 39% | 0.387 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -67.3 | -18.4 | 176.6 | 76.9 | 0 | 0 | 0 | 0 | 115 | D198 E199 L200 H204 R242 | D198-T202 WeakPolarHBondContact O-CG2 3.31Å; D198-T202 PolarHBondContact O-N 3.13Å; D198-T202 VanDerWaalsContact O-N 3.11Å; E199-T202 PolarHBondContact O-N 2.9Å; E199-T202 VanDerWaalsContact O-N 3.07Å; E199-T202 PolarHBondContact O-OG1 3.5Å; L200-T202 VanDerWaalsContact C-N 3.35Å; T202-H204 VanDerWaalsContact C-N 3.3Å; T202-R242 PolarHBondContact O-NH2 2.89Å |
| 203 | L | 94.6 | Very high | 94 | Very high | 49 Ų | 49 | 45.7 Ų | 45.7 | 26% | 0.257 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -73 | -22.2 | 174.7 | -66.4 | 175.5 | 0 | 0 | 0 | 112.9 | A172 K173 F176 E199 L200 V201 | A172-L203 HydrophobicContact CB-CD1 4.14Å; A172-L203 WeakPolarHBondContact O-CD1 3.47Å; K173-L203 HydrophobicContact CB-CD1 4.49Å; K173-L203 HydrophobicContact CG-CD1 4.12Å; K173-L203 HydrophobicContact CG-CD2 4.24Å; F176-L203 HydrophobicContact CB-CD1 3.62Å; F176-L203 HydrophobicContact CD1-CB 4.41Å; F176-L203 HydrophobicContact CD1-CD1 4.5Å; F176-L203 HydrophobicContact CD2-CB 3.9Å; F176-L203 HydrophobicContact CD2-CD1 4.37Å; F176-L203 HydrophobicContact CE2-CB 4.09Å; F176-L203 HydrophobicContact CG-CB 4.07Å; F176-L203 HydrophobicContact CG-CD1 3.94Å; F176-L203 HydrophobicContact CZ-CB 4.42Å; E199-L203 PolarHBondContact O-N 3.02Å; L200-L203 PolarHBondContact O-N 3.17Å; V201-L203 PolarHBondContact O-N 3.39Å |
| 204 | H | 94.6 | Very high | 94.1 | Very high | 7 Ų | 7 | 43.3 Ų | 43.3 | 3% | 0.032 | 22% | 0.224 | C | C | . | . | trans | -73 | 135.6 | 177.3 | -68.1 | 74.6 | 0 | 0 | 0 | 111.3 | F176 L200 V201 T202 F206 F218 R242 | F176-H204 AromaticContact CE2-CE1 3.66Å; F176-H204 AromaticContact CE2-ND1 3.75Å; F176-H204 AromaticContact CE2-NE2 3.91Å; L200-H204 PolarHBondContact O-ND1 2.91Å; V201-H204 WeakPolarHBondContact O-CB 3.32Å; V201-H204 PolarHBondContact O-N 3.24Å; T202-H204 VanDerWaalsContact C-N 3.3Å; H204-F206 HydrophobicContact CB-CE1 3.86Å; H204-F206 HydrophobicContact CB-CE2 3.86Å; H204-F206 HydrophobicContact CB-CZ 3.43Å; H204-F206 VanDerWaalsContact CB-CZ 3.43Å; H204-F206 AromaticContact CD2-CZ 3.98Å; H204-F206 AromaticContact CG-CZ 3.94Å; H204-F218 AromaticContact CD2-CD2 3.83Å; H204-F218 AromaticContact NE2-CD2 3.76Å; H204-R242 VanDerWaalsContact O-CZ 3.23Å; H204-R242 PolarHBondContact O-NE 2.83Å; H204-R242 PolarHBondContact O-NH2 3.11Å | ||
| 205 | N | 94.3 | Very high | 94.3 | Very high | 107 Ų | 107 | 38.9 Ų | 38.9 | 57% | 0.572 | 21% | 0.207 | S | C | * | . | trans | -115.5 | 105.4 | 177.1 | -178.2 | 11.7 | 0 | 0 | 0 | 110.8 | S207 | N205-S207 VanDerWaalsContact OD1-CB 3.28Å; N205-S207 WeakPolarHBondContact OD1-CB 3.25Å; N205-S207 PolarHBondContact OD1-N 2.81Å; N205-S207 VanDerWaalsContact OD1-N 3.15Å; N205-S207 PolarHBondContact OD1-OG 2.68Å | ||
| 206 | F | 95.3 | Very high | 94.2 | Very high | 3 Ų | 3 | 36.9 Ų | 36.9 | 1% | 0.013 | 20% | 0.195 | C | C | . | . | trans | -99.4 | 13.2 | -179.5 | -51.5 | -54.7 | 0 | 0 | 0 | 113.5 | H204 N208 Q209 A214 F218 F239 R242 F243 C246 N247 | H204-F206 HydrophobicContact CB-CE1 3.86Å; H204-F206 HydrophobicContact CB-CE2 3.86Å; H204-F206 HydrophobicContact CB-CZ 3.43Å; H204-F206 VanDerWaalsContact CB-CZ 3.43Å; H204-F206 AromaticContact CD2-CZ 3.98Å; H204-F206 AromaticContact CG-CZ 3.94Å; F206-N208 PolarHBondContact O-N 3.16Å; F206-Q209 WeakPolarHBondContact O-CB 3.38Å; F206-Q209 PolarHBondContact O-N 3.33Å; F206-Q209 VanDerWaalsContact O-N 3.1Å; F206-A214 HydrophobicContact CB-CB 4.01Å; F206-A214 HydrophobicContact CD1-CB 3.58Å; F206-A214 HydrophobicContact CE1-CB 4.22Å; F206-A214 HydrophobicContact CG-CB 3.91Å; F206-F218 HydrophobicContact CE1-CB 4.2Å; F206-F218 HydrophobicContact CZ-CB 3.98Å; F206-F218 AromaticContact CZ-CD2 3.87Å; F206-F218 HydrophobicContact CZ-CD2 3.87Å; F206-F218 HydrophobicContact CZ-CG 4.26Å; F206-F239 HydrophobicContact CD1-CE2 4.37Å; F206-F239 HydrophobicContact CD2-CD2 4.49Å; F206-F239 HydrophobicContact CD2-CE2 4.12Å; F206-F239 HydrophobicContact CE1-CD2 4.43Å; F206-F239 AromaticContact CE1-CE2 3.87Å; F206-F239 HydrophobicContact CE1-CE2 3.87Å; F206-F239 AromaticContact CE2-CD2 3.63Å; F206-F239 HydrophobicContact CE2-CD2 3.63Å; F206-F239 AromaticContact CE2-CE2 3.6Å; F206-F239 HydrophobicContact CE2-CE2 3.6Å; F206-F239 HydrophobicContact CG-CE2 4.48Å; F206-F239 AromaticContact CZ-CD2 3.59Å; F206-F239 HydrophobicContact CZ-CD2 3.59Å; F206-F239 AromaticContact CZ-CE2 3.45Å; F206-F239 HydrophobicContact CZ-CE2 3.45Å; F206-F239 VanDerWaalsContact CZ-CE2 3.45Å; F206-R242 HydrophobicContact CD2-CB 4.5Å; F206-R242 HydrophobicContact CD2-CG 3.89Å; F206-R242 HydrophobicContact CE2-CB 4.21Å; F206-R242 HydrophobicContact CE2-CG 3.7Å; F206-F243 HydrophobicContact CB-CD2 3.83Å; F206-F243 HydrophobicContact CB-CE2 4.35Å; F206-F243 HydrophobicContact CD2-CB 4.34Å; F206-F243 HydrophobicContact CD2-CD2 4.48Å; F206-F243 HydrophobicContact CG-CD2 4.3Å; F206-C246 HydrophobicContact CB-CB 4.07Å; F206-C246 PolarHBondContact N-SG 3.23Å; F206-N247 PolarHBondContact O-ND2 3.42Å; F206-N247 PolarHBondContact O-OD1 3.16Å | ||
| 207 | S | 93.1 | Very high | 94 | Very high | 49 Ų | 49 | 38.8 Ų | 38.8 | 34% | 0.343 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | 129.1 | -176.2 | -50.6 | 0 | 0 | 0 | 0 | 110.9 | N205 Q209 C246 | N205-S207 VanDerWaalsContact OD1-CB 3.28Å; N205-S207 WeakPolarHBondContact OD1-CB 3.25Å; N205-S207 PolarHBondContact OD1-N 2.81Å; N205-S207 VanDerWaalsContact OD1-N 3.15Å; N205-S207 PolarHBondContact OD1-OG 2.68Å; S207-Q209 PolarHBondContact O-N 3.23Å; S207-C246 PolarHBondContact OG-O 2.75Å |
| 208 | N | 88.3 | Confident | 94 | Very high | 164 Ų | 164 | 38.8 Ų | 38.8 | 88% | 0.877 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.4 | 12.4 | -175.5 | -49.4 | -58.6 | 0 | 0 | 0 | 115.1 | F206 N247 | F206-N208 PolarHBondContact O-N 3.16Å; N208-N247 PolarHBondContact N-OD1 3.48Å |
| 209 | Q | 92.8 | Very high | 93.8 | Very high | 55 Ų | 55 | 35.8 Ų | 35.8 | 26% | 0.257 | 19% | 0.189 | S | C | . | . | trans | -89.6 | 137.9 | 173.2 | -65 | -163.9 | -29.6 | 0 | 0 | 111.3 | F206 S207 A214 D217 F243 | F206-Q209 WeakPolarHBondContact O-CB 3.38Å; F206-Q209 PolarHBondContact O-N 3.33Å; F206-Q209 VanDerWaalsContact O-N 3.1Å; S207-Q209 PolarHBondContact O-N 3.23Å; Q209-A214 HydrophobicContact CB-CB 4.08Å; Q209-D217 PolarHBondContact NE2-OD2 3.16Å; Q209-F243 WeakPolarHBondContact O-CE2 3.35Å | ||
| 210 | F | 93.1 | Very high | 93.5 | Very high | 65 Ų | 65 | 40.4 Ų | 40.4 | 29% | 0.285 | 20% | 0.204 | S | C | . | . | trans | -69.8 | 139.6 | 169.6 | -169.5 | -129.1 | 0 | 0 | 0 | 110.2 | P212 N213 A214 F304 H307 L308 N311 | F210-P212 VanDerWaalsContact C-CD 3.48Å; F210-P212 HydrophobicContact CD1-CG 4.03Å; F210-P212 HydrophobicContact CE1-CG 3.93Å; F210-P212 VanDerWaalsContact O-N 3.16Å; F210-N213 WeakPolarHBondContact O-CA 3.34Å; F210-N213 WeakPolarHBondContact O-CB 3.44Å; F210-N213 PolarHBondContact O-N 3.18Å; F210-A214 PolarHBondContact O-N 3.31Å; F210-A214 VanDerWaalsContact O-N 3.12Å; F210-F304 HydrophobicContact CE2-CD2 4.28Å; F210-F304 AromaticContact CE2-CE2 3.79Å; F210-F304 HydrophobicContact CE2-CE2 3.79Å; F210-F304 HydrophobicContact CE2-CZ 4.25Å; F210-H307 HydrophobicContact CZ-CB 3.9Å; F210-L308 HydrophobicContact CE1-CD2 4.02Å; F210-L308 HydrophobicContact CE2-CD2 4.14Å; F210-L308 HydrophobicContact CZ-CD2 3.61Å; F210-L308 HydrophobicContact CZ-CG 4.16Å; F210-N311 HydrophobicContact CD1-CB 4.25Å; F210-N311 HydrophobicContact CE1-CB 3.89Å | ||
| 211 | L | 93.6 | Very high | 93 | Very high | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -47.4 | -46.9 | -168.6 | 175.6 | 62 | 0 | 0 | 0 | 115.1 | N213 A214 L215 F239 F243 V261 L264 L268 L308 | L211-N213 VanDerWaalsContact C-N 3.29Å; L211-N213 PolarHBondContact O-N 3.12Å; L211-A214 PolarHBondContact O-N 2.99Å; L211-L215 WeakPolarHBondContact O-CB 3.29Å; L211-L215 PolarHBondContact O-N 3.24Å; L211-F239 HydrophobicContact CD1-CE1 3.75Å; L211-F239 HydrophobicContact CD1-CZ 4.12Å; L211-F243 HydrophobicContact CB-CE1 4.25Å; L211-F243 HydrophobicContact CB-CE2 4.33Å; L211-F243 HydrophobicContact CB-CZ 3.87Å; L211-F243 HydrophobicContact CD1-CD1 3.94Å; L211-F243 HydrophobicContact CD1-CD2 4.12Å; L211-F243 HydrophobicContact CD1-CE1 3.95Å; L211-F243 HydrophobicContact CD1-CE2 4.14Å; L211-F243 HydrophobicContact CD1-CG 4.03Å; L211-F243 HydrophobicContact CD1-CZ 4.06Å; L211-V261 HydrophobicContact CD1-CG1 3.76Å; L211-V261 HydrophobicContact CD2-CG1 4.44Å; L211-L264 HydrophobicContact CD2-CB 3.77Å; L211-L264 HydrophobicContact CD2-CD1 4.01Å; L211-L268 HydrophobicContact CD2-CD1 4.09Å; L211-L268 HydrophobicContact CG-CD1 3.99Å; L211-L308 HydrophobicContact CB-CD2 4.19Å; L211-L308 HydrophobicContact CD2-CD2 4.36Å |
| 212 | P | 94.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -72.8 | -19.1 | 179.9 | -13.3 | 29.6 | 0 | 0 | 0 | 114 | F210 R216 L268 L308 N311 I312 | F210-P212 VanDerWaalsContact C-CD 3.48Å; F210-P212 HydrophobicContact CD1-CG 4.03Å; F210-P212 HydrophobicContact CE1-CG 3.93Å; F210-P212 VanDerWaalsContact O-N 3.16Å; P212-R216 WeakPolarHBondContact O-CG 3.24Å; P212-R216 PolarHBondContact O-N 3.23Å; P212-R216 PolarHBondContact O-NH1 3.13Å; P212-L268 HydrophobicContact CB-CD1 4.2Å; P212-L268 HydrophobicContact CB-CD2 4.2Å; P212-L268 HydrophobicContact CG-CD1 3.95Å; P212-L268 HydrophobicContact CG-CD2 3.82Å; P212-L308 HydrophobicContact CG-CD2 3.51Å; P212-N311 WeakPolarHBondContact CB-OD1 3.43Å; P212-N311 HydrophobicContact CG-CB 4.33Å; P212-I312 HydrophobicContact CB-CD1 3.68Å; P212-I312 HydrophobicContact CG-CD1 4.42Å |
| 213 | N | 94.6 | Very high | 91.8 | Very high | 58 Ų | 58 | 45 Ų | 45 | 31% | 0.31 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -77.8 | -45.8 | 173.7 | -63.4 | 3.3 | 0 | 0 | 0 | 109.3 | F210 L211 L215 R216 D217 N311 | F210-N213 WeakPolarHBondContact O-CA 3.34Å; F210-N213 WeakPolarHBondContact O-CB 3.44Å; F210-N213 PolarHBondContact O-N 3.18Å; L211-N213 VanDerWaalsContact C-N 3.29Å; L211-N213 PolarHBondContact O-N 3.12Å; N213-L215 VanDerWaalsContact C-N 3.32Å; N213-L215 PolarHBondContact O-N 3Å; N213-R216 PolarHBondContact O-N 3.47Å; N213-R216 PolarHBondContact OD1-NH1 2.96Å; N213-D217 PolarHBondContact O-N 3.05Å; N213-N311 PolarHBondContact OD1-ND2 3.47Å; N213-N311 PolarHBondContact OD1-OD1 2.91Å |
| 214 | A | 95.2 | Very high | 91.1 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -57.7 | -43.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | F206 Q209 F210 L211 R216 D217 F218 F239 F243 | F206-A214 HydrophobicContact CB-CB 4.01Å; F206-A214 HydrophobicContact CD1-CB 3.58Å; F206-A214 HydrophobicContact CE1-CB 4.22Å; F206-A214 HydrophobicContact CG-CB 3.91Å; Q209-A214 HydrophobicContact CB-CB 4.08Å; F210-A214 PolarHBondContact O-N 3.31Å; F210-A214 VanDerWaalsContact O-N 3.12Å; L211-A214 PolarHBondContact O-N 2.99Å; A214-R216 PolarHBondContact O-N 3.39Å; A214-D217 PolarHBondContact O-N 3.12Å; A214-F218 WeakPolarHBondContact O-CB 3.22Å; A214-F218 PolarHBondContact O-N 2.69Å; A214-F239 HydrophobicContact CB-CE2 4.14Å; A214-F239 HydrophobicContact CB-CZ 3.89Å; A214-F243 HydrophobicContact CB-CD2 3.76Å; A214-F243 HydrophobicContact CB-CE2 3.77Å |
| 215 | L | 94.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -66.4 | -36.7 | 179 | -169.7 | 60.1 | 0 | 0 | 0 | 112.4 | L211 N213 F219 F239 C265 L268 I269 V318 | L211-L215 WeakPolarHBondContact O-CB 3.29Å; L211-L215 PolarHBondContact O-N 3.24Å; N213-L215 VanDerWaalsContact C-N 3.32Å; N213-L215 PolarHBondContact O-N 3Å; L215-F219 HydrophobicContact CD1-CD2 4.04Å; L215-F219 HydrophobicContact CD1-CE2 3.43Å; L215-F219 VanDerWaalsContact CD1-CE2 3.43Å; L215-F219 HydrophobicContact CD1-CZ 3.98Å; L215-F219 HydrophobicContact CD2-CE2 4.41Å; L215-F219 HydrophobicContact CG-CD2 4.05Å; L215-F219 HydrophobicContact CG-CE2 3.7Å; L215-F219 VanDerWaalsContact O-CD2 3.23Å; L215-F219 WeakPolarHBondContact O-CD2 3.38Å; L215-F219 PolarHBondContact O-N 3.31Å; L215-F219 VanDerWaalsContact O-N 3.1Å; L215-F239 HydrophobicContact CB-CE1 4.28Å; L215-F239 HydrophobicContact CB-CE2 4.48Å; L215-F239 HydrophobicContact CB-CZ 3.92Å; L215-F239 HydrophobicContact CD1-CD1 3.87Å; L215-F239 HydrophobicContact CD1-CD2 4.4Å; L215-F239 HydrophobicContact CD1-CE1 3.8Å; L215-F239 HydrophobicContact CD1-CE2 4.31Å; L215-F239 HydrophobicContact CD1-CG 4.19Å; L215-F239 HydrophobicContact CD1-CZ 4.02Å; L215-C265 HydrophobicContact CD1-CB 4.37Å; L215-C265 HydrophobicContact CD2-CB 3.86Å; L215-L268 HydrophobicContact CD2-CB 4.27Å; L215-L268 HydrophobicContact CD2-CD1 4.13Å; L215-I269 HydrophobicContact CD2-CG1 4.43Å; L215-V318 HydrophobicContact CB-CG1 4.26Å; L215-V318 HydrophobicContact CD2-CG1 3.6Å; L215-V318 HydrophobicContact CG-CG1 3.63Å |
| 216 | R | 93.8 | Very high | 89.3 | Confident | 21 Ų | 21 | 42 Ų | 42 | 8% | 0.079 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -66.4 | -44.2 | 170.5 | -79.1 | -179.7 | -161.9 | 106.2 | -14.2 | 112.5 | P212 N213 A214 F218 F219 R220 N311 G316 H317 | P212-R216 WeakPolarHBondContact O-CG 3.24Å; P212-R216 PolarHBondContact O-N 3.23Å; P212-R216 PolarHBondContact O-NH1 3.13Å; N213-R216 PolarHBondContact O-N 3.47Å; N213-R216 PolarHBondContact OD1-NH1 2.96Å; A214-R216 PolarHBondContact O-N 3.39Å; R216-F218 VanDerWaalsContact C-N 3.29Å; R216-F218 PolarHBondContact O-N 3.39Å; R216-F219 PolarHBondContact O-N 2.86Å; R216-R220 WeakPolarHBondContact O-CB 3.4Å; R216-R220 PolarHBondContact O-N 2.88Å; R216-N311 PolarHBondContact NH1-OD1 3.15Å; R216-N311 PolarHBondContact NH2-O 2.9Å; R216-N311 PolarHBondContact NH2-OD1 2.84Å; R216-G316 PolarHBondContact NE-O 2.98Å; R216-G316 PolarHBondContact NH2-O 3.16Å; R216-H317 WeakPolarHBondContact CD-O 3.47Å; R216-H317 PolarHBondContact NE-O 3.35Å |
| 217 | D | 92.4 | Very high | 88.2 | Confident | 41 Ų | 41 | 47.4 Ų | 47.4 | 22% | 0.219 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.3 | -38 | 179.2 | -75.7 | -6.6 | 0 | 0 | 0 | 111.2 | Q209 N213 A214 R220 H221 | Q209-D217 PolarHBondContact NE2-OD2 3.16Å; N213-D217 PolarHBondContact O-N 3.05Å; A214-D217 PolarHBondContact O-N 3.12Å; D217-R220 IonicContact OD1-CZ 2.68Å; D217-R220 IonicContact OD1-NH1 3.36Å; D217-R220 PolarHBondContact OD1-NH1 2.9Å; D217-R220 IonicContact OD1-NH2 3.24Å; D217-R220 PolarHBondContact OD1-NH2 3.46Å; D217-H221 PolarHBondContact O-ND1 2.93Å |
| 218 | F | 93.6 | Very high | 87 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.5 | -54.3 | 173.9 | -176.7 | -114.3 | 0 | 0 | 0 | 112.7 | V201 H204 F206 A214 R216 R220 H221 I222 L235 F239 | V201-F218 HydrophobicContact CG1-CE2 4.38Å; V201-F218 HydrophobicContact CG2-CE2 4Å; V201-F218 HydrophobicContact CG2-CZ 4.17Å; H204-F218 AromaticContact CD2-CD2 3.83Å; H204-F218 AromaticContact NE2-CD2 3.76Å; F206-F218 HydrophobicContact CE1-CB 4.2Å; F206-F218 HydrophobicContact CZ-CB 3.98Å; F206-F218 AromaticContact CZ-CD2 3.87Å; F206-F218 HydrophobicContact CZ-CD2 3.87Å; F206-F218 HydrophobicContact CZ-CG 4.26Å; A214-F218 WeakPolarHBondContact O-CB 3.22Å; A214-F218 PolarHBondContact O-N 2.69Å; R216-F218 VanDerWaalsContact C-N 3.29Å; R216-F218 PolarHBondContact O-N 3.39Å; F218-R220 PolarHBondContact O-N 3.45Å; F218-H221 PolarHBondContact O-N 3.11Å; F218-H221 VanDerWaalsContact O-N 3.1Å; F218-I222 HydrophobicContact CD2-CD1 4.07Å; F218-I222 HydrophobicContact CE2-CD1 3.48Å; F218-I222 VanDerWaalsContact CE2-CD1 3.48Å; F218-I222 HydrophobicContact CZ-CD1 3.83Å; F218-I222 PolarHBondContact O-N 2.66Å; F218-I222 VanDerWaalsContact O-N 3.1Å; F218-L235 HydrophobicContact CE1-CB 4.2Å; F218-L235 HydrophobicContact CE1-CD2 4.46Å; F218-L235 HydrophobicContact CZ-CD2 4.17Å; F218-F239 HydrophobicContact CB-CD2 3.74Å; F218-F239 HydrophobicContact CB-CE2 3.85Å; F218-F239 HydrophobicContact CD1-CB 4.06Å; F218-F239 AromaticContact CD1-CD2 3.68Å; F218-F239 HydrophobicContact CD1-CD2 3.68Å; F218-F239 HydrophobicContact CD1-CG 4.11Å; F218-F239 AromaticContact CD2-CD2 3.93Å; F218-F239 HydrophobicContact CD2-CD2 3.93Å; F218-F239 HydrophobicContact CE1-CB 3.72Å; F218-F239 HydrophobicContact CE1-CD2 4.19Å; F218-F239 HydrophobicContact CE1-CG 4.28Å; F218-F239 HydrophobicContact CE2-CB 4.42Å; F218-F239 HydrophobicContact CE2-CD2 4.38Å; F218-F239 AromaticContact CG-CD2 3.52Å; F218-F239 HydrophobicContact CG-CD2 3.52Å; F218-F239 HydrophobicContact CG-CE2 4.17Å; F218-F239 HydrophobicContact CG-CG 4.38Å; F218-F239 HydrophobicContact CZ-CB 3.9Å |
| 219 | F | 91.1 | Very high | 86.5 | Confident | 8 Ų | 8 | 42.1 Ų | 42.1 | 4% | 0.035 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -67.5 | -22 | 179.5 | -70.2 | -50 | 0 | 0 | 0 | 113.6 | L215 R216 H221 H223 A224 L232 L235 I236 I269 V318 A319 | L215-F219 HydrophobicContact CD1-CD2 4.04Å; L215-F219 HydrophobicContact CD1-CE2 3.43Å; L215-F219 VanDerWaalsContact CD1-CE2 3.43Å; L215-F219 HydrophobicContact CD1-CZ 3.98Å; L215-F219 HydrophobicContact CD2-CE2 4.41Å; L215-F219 HydrophobicContact CG-CD2 4.05Å; L215-F219 HydrophobicContact CG-CE2 3.7Å; L215-F219 VanDerWaalsContact O-CD2 3.23Å; L215-F219 WeakPolarHBondContact O-CD2 3.38Å; L215-F219 PolarHBondContact O-N 3.31Å; L215-F219 VanDerWaalsContact O-N 3.1Å; R216-F219 PolarHBondContact O-N 2.86Å; F219-H221 VanDerWaalsContact C-N 3.28Å; F219-H221 PolarHBondContact O-N 3.47Å; F219-H223 WeakPolarHBondContact O-CA 3.44Å; F219-H223 PolarHBondContact O-N 3.21Å; F219-A224 HydrophobicContact CB-CB 4.34Å; F219-A224 HydrophobicContact CD1-CB 3.74Å; F219-A224 HydrophobicContact CE1-CB 4.17Å; F219-A224 HydrophobicContact CG-CB 4.01Å; F219-L232 HydrophobicContact CE1-CD1 3.88Å; F219-L232 HydrophobicContact CZ-CD1 3.85Å; F219-L235 HydrophobicContact CE1-CD1 4.42Å; F219-I236 HydrophobicContact CZ-CG1 4.19Å; F219-I269 HydrophobicContact CE2-CD1 3.88Å; F219-I269 HydrophobicContact CE2-CG1 4.31Å; F219-I269 HydrophobicContact CZ-CD1 4.02Å; F219-V318 HydrophobicContact CD2-CG1 4.14Å; F219-V318 HydrophobicContact CE2-CG1 4.27Å; F219-A319 HydrophobicContact CD2-CB 3.9Å; F219-A319 HydrophobicContact CE2-CB 4.16Å; F219-A319 HydrophobicContact CG-CB 4.39Å |
| 220 | R | 88 | Confident | 86.1 | Confident | 149 Ų | 149 | 44.8 Ų | 44.8 | 56% | 0.562 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -66.6 | -27 | 171.9 | -162.7 | -173.7 | -52.3 | 111.7 | 12 | 113.3 | R216 D217 F218 | R216-R220 WeakPolarHBondContact O-CB 3.4Å; R216-R220 PolarHBondContact O-N 2.88Å; D217-R220 IonicContact OD1-CZ 2.68Å; D217-R220 IonicContact OD1-NH1 3.36Å; D217-R220 PolarHBondContact OD1-NH1 2.9Å; D217-R220 IonicContact OD1-NH2 3.24Å; D217-R220 PolarHBondContact OD1-NH2 3.46Å; F218-R220 PolarHBondContact O-N 3.45Å |
| 221 | H | 85.1 | Confident | 85.7 | Confident | 95 Ų | 95 | 42.7 Ų | 42.7 | 44% | 0.44 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -94.8 | -43.1 | 179.1 | -67 | 90.4 | 0 | 0 | 0 | 112.5 | D217 F218 F219 | D217-H221 PolarHBondContact O-ND1 2.93Å; F218-H221 PolarHBondContact O-N 3.11Å; F218-H221 VanDerWaalsContact O-N 3.1Å; F219-H221 VanDerWaalsContact C-N 3.28Å; F219-H221 PolarHBondContact O-N 3.47Å |
| 222 | I | 83.6 | Confident | 85.5 | Confident | 5 Ų | 5 | 42.9 Ų | 42.9 | 3% | 0.026 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -93.1 | -14.2 | -173.9 | -69 | 173.7 | 0 | 0 | 0 | 113.2 | L200 F218 L235 | L200-I222 HydrophobicContact CD2-CD1 4.11Å; L200-I222 HydrophobicContact CD2-CG1 4.13Å; L200-I222 HydrophobicContact CG-CD1 4.3Å; F218-I222 HydrophobicContact CD2-CD1 4.07Å; F218-I222 HydrophobicContact CE2-CD1 3.48Å; F218-I222 VanDerWaalsContact CE2-CD1 3.48Å; F218-I222 HydrophobicContact CZ-CD1 3.83Å; F218-I222 PolarHBondContact O-N 2.66Å; F218-I222 VanDerWaalsContact O-N 3.1Å; I222-L235 HydrophobicContact CG2-CD1 3.83Å; I222-L235 HydrophobicContact CG2-CD2 3.77Å; I222-L235 HydrophobicContact CG2-CG 4.48Å |
| 223 | H | 82.6 | Confident | 85.2 | Confident | 69 Ų | 69 | 46.8 Ų | 46.8 | 32% | 0.319 | 22% | 0.222 | S | C | . | . | trans | 58.9 | 119.2 | -172.9 | -70.6 | -90.2 | 0 | 0 | 0 | 114.4 | W183 R187 F219 | W183-H223 HydrophobicContact CB-CB 3.93Å; W183-H223 WeakPolarHBondContact CB-CD2 3.47Å; W183-H223 AromaticContact CD1-CD2 3.81Å; W183-H223 AromaticContact CD1-CE1 3.82Å; W183-H223 AromaticContact CD1-CG 3.83Å; W183-H223 AromaticContact CD1-ND1 3.86Å; W183-H223 AromaticContact CD1-NE2 3.78Å; W183-H223 HydrophobicContact CD2-CB 3.79Å; W183-H223 AromaticContact CD2-CG 3.9Å; W183-H223 HydrophobicContact CE3-CB 3.86Å; W183-H223 HydrophobicContact CG-CB 3.86Å; W183-H223 AromaticContact CG-CD2 3.6Å; W183-H223 AromaticContact CG-CG 3.56Å; R187-H223 PolarHBondContact NH2-O 2.71Å; F219-H223 WeakPolarHBondContact O-CA 3.44Å; F219-H223 PolarHBondContact O-N 3.21Å | ||
| 224 | A | 79.2 | Confident | 85.1 | Confident | 12 Ų | 12 | 45.3 Ų | 45.3 | 10% | 0.099 | 22% | 0.215 | C | C | . | . | trans | -64.6 | 145.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | R187 F219 A319 | R187-A224 PolarHBondContact NH2-O 2.79Å; F219-A224 HydrophobicContact CB-CB 4.34Å; F219-A224 HydrophobicContact CD1-CB 3.74Å; F219-A224 HydrophobicContact CE1-CB 4.17Å; F219-A224 HydrophobicContact CG-CB 4.01Å; A224-A319 HydrophobicContact CB-CB 3.58Å | ||
| 225 | P | 79.6 | Confident | 84.9 | Confident | 16 Ų | 16 | 45.3 Ų | 45.3 | 10% | 0.104 | 22% | 0.215 | C | C | . | . | trans | -55.7 | 131.5 | 166 | -34.3 | 40.2 | 0 | 0 | 0 | 114.7 | E227 Y231 L232 | P225-E227 VanDerWaalsContact CB-O 3.27Å; P225-E227 WeakPolarHBondContact CB-O 3.21Å; P225-E227 PolarHBondContact O-N 3.45Å; P225-Y231 HydrophobicContact CG-CD1 3.87Å; P225-L232 HydrophobicContact CB-CB 4.41Å; P225-L232 HydrophobicContact CG-CB 4.02Å; P225-L232 HydrophobicContact CG-CD1 4.47Å | ||
| 226 | E | 72 | Confident | 84.9 | Confident | 70 Ų | 70 | 45.3 Ų | 45.3 | 33% | 0.327 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -64.5 | -17.5 | 171 | -62.4 | -173.3 | -122.6 | 0 | 0 | 111.2 | G2 W6 W183 K184 | G2-E226 WeakPolarHBondContact CA-OE2 3.23Å; W6-E226 VanDerWaalsContact CD1-O 3.27Å; W6-E226 PolarHBondContact NE1-O 3.49Å; W183-E226 HydrophobicContact CH2-CG 4.32Å; K184-E226 IonicContact NZ-OE1 3.48Å; K184-E226 PolarHBondContact NZ-OE1 3.37Å |
| 227 | E | 70.5 | Confident | 84.9 | Confident | 118 Ų | 118 | 47 Ų | 47 | 55% | 0.551 | 23% | 0.228 | S | C | * | . | S | Bend | trans | -125.7 | 162 | -173.6 | -46.1 | -168.3 | 163.4 | 0 | 0 | 111.1 | L5 P225 | L5-E227 HydrophobicContact CB-CB 4.27Å; L5-E227 HydrophobicContact CB-CG 4.44Å; L5-E227 HydrophobicContact CD1-CB 4.03Å; L5-E227 HydrophobicContact CD1-CG 3.54Å; L5-E227 VanDerWaalsContact CD1-OE1 3.32Å; L5-E227 WeakPolarHBondContact CD1-OE1 3.46Å; P225-E227 VanDerWaalsContact CB-O 3.27Å; P225-E227 WeakPolarHBondContact CB-O 3.21Å; P225-E227 PolarHBondContact O-N 3.45Å |
| 228 | R | 67.9 | Low | 85 | Confident | 71 Ų | 71 | 46.9 Ų | 46.9 | 27% | 0.268 | 23% | 0.225 | S | C | . | . | trans | -84.7 | 140.9 | 169.5 | -53.2 | -163.7 | -177.4 | -138.1 | -2.3 | 109.8 | W6 L270 | W6-R228 HydrophobicContact CD2-CG 4.01Å; W6-R228 HydrophobicContact CE3-CG 4.01Å; W6-R228 VanDerWaalsContact CE3-CZ 3.42Å; W6-R228 VanDerWaalsContact CE3-NE 3.35Å; W6-R228 HydrophobicContact CH2-CG 3.71Å; W6-R228 HydrophobicContact CZ2-CB 4.45Å; W6-R228 HydrophobicContact CZ2-CG 3.72Å; W6-R228 HydrophobicContact CZ3-CG 3.88Å; W6-R228 VanDerWaalsContact CZ3-CZ 3.43Å; W6-R228 PolarHBondContact O-NH2 3.18Å; R228-L270 VanDerWaalsContact NH2-CD2 3.26Å | ||
| 229 | G | 79.1 | Confident | 85.1 | Confident | 30 Ų | 30 | 46.9 Ų | 46.9 | 31% | 0.309 | 23% | 0.225 | S | C | . | . | S | Bend | trans | 165.3 | 179.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y231 L232 E233 | G229-Y231 PolarHBondContact O-N 2.96Å; G229-L232 PolarHBondContact O-N 3.42Å; G229-E233 PolarHBondContact O-N 3.46Å |
| 230 | E | 83.4 | Confident | 85.3 | Confident | 112 Ų | 112 | 46.5 Ų | 46.5 | 52% | 0.523 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -47.5 | -38.9 | -171.6 | -169.8 | -164.9 | 140.3 | 0 | 0 | 114.2 | R194 L232 E233 T234 | R194-E230 IonicContact CZ-OE1 2.75Å; R194-E230 VanDerWaalsContact CZ-OE1 3.26Å; R194-E230 IonicContact NH1-OE1 3.55Å; R194-E230 PolarHBondContact NH1-OE1 2.92Å; R194-E230 IonicContact NH2-OE1 2.72Å; R194-E230 PolarHBondContact NH2-OE1 2.85Å; E230-L232 PolarHBondContact O-N 3.17Å; E230-E233 PolarHBondContact O-N 3.39Å; E230-T234 VanDerWaalsContact O-CB 3.29Å; E230-T234 WeakPolarHBondContact O-CB 3.47Å; E230-T234 PolarHBondContact O-N 2.9Å; E230-T234 PolarHBondContact O-OG1 2.99Å |
| 231 | Y | 84.9 | Confident | 85.7 | Confident | 20 Ų | 20 | 44.4 Ų | 44.4 | 8% | 0.078 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65.7 | -35.6 | 179.9 | -172.7 | -94.4 | 0 | 0 | 0 | 112.6 | R187 L190 D191 L197 P225 G229 L235 | R187-Y231 HydrophobicContact CG-CD1 3.93Å; R187-Y231 HydrophobicContact CG-CD2 4.5Å; R187-Y231 HydrophobicContact CG-CE1 3.63Å; R187-Y231 HydrophobicContact CG-CE2 4.24Å; R187-Y231 HydrophobicContact CG-CG 4.36Å; L190-Y231 HydrophobicContact CB-CE2 4.47Å; D191-Y231 HydrophobicContact CB-CD2 3.73Å; D191-Y231 HydrophobicContact CB-CE2 3.87Å; L197-Y231 HydrophobicContact CD2-CE2 4.2Å; P225-Y231 HydrophobicContact CG-CD1 3.87Å; G229-Y231 PolarHBondContact O-N 2.96Å; Y231-L235 HydrophobicContact CD1-CD1 4.03Å; Y231-L235 HydrophobicContact CD1-CG 4.17Å; Y231-L235 HydrophobicContact CE1-CD1 3.55Å; Y231-L235 HydrophobicContact CE1-CD2 4.22Å; Y231-L235 HydrophobicContact CE1-CG 3.78Å; Y231-L235 WeakPolarHBondContact O-CG 3.19Å; Y231-L235 PolarHBondContact O-N 3.36Å |
| 232 | L | 88.7 | Confident | 86.2 | Confident | 5 Ų | 5 | 43 Ų | 43 | 3% | 0.026 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -70.9 | -42.3 | 173.5 | 178.8 | 67.1 | 0 | 0 | 0 | 111.3 | W6 F219 P225 G229 E230 T234 L235 I236 | W6-L232 HydrophobicContact CH2-CD2 3.33Å; W6-L232 HydrophobicContact CZ2-CD2 3.47Å; W6-L232 VanDerWaalsContact CZ2-CD2 3.47Å; F219-L232 HydrophobicContact CE1-CD1 3.88Å; F219-L232 HydrophobicContact CZ-CD1 3.85Å; P225-L232 HydrophobicContact CB-CB 4.41Å; P225-L232 HydrophobicContact CG-CB 4.02Å; P225-L232 HydrophobicContact CG-CD1 4.47Å; G229-L232 PolarHBondContact O-N 3.42Å; E230-L232 PolarHBondContact O-N 3.17Å; L232-T234 VanDerWaalsContact C-N 3.29Å; L232-T234 PolarHBondContact O-N 3.49Å; L232-L235 WeakPolarHBondContact O-CB 3.31Å; L232-L235 PolarHBondContact O-N 3.02Å; L232-L235 VanDerWaalsContact O-N 3.12Å; L232-I236 HydrophobicContact CD1-CD1 3.74Å; L232-I236 HydrophobicContact CD1-CG1 3.91Å; L232-I236 HydrophobicContact CD2-CD1 4.1Å; L232-I236 HydrophobicContact CG-CD1 3.68Å; L232-I236 HydrophobicContact CG-CG1 4.18Å; L232-I236 WeakPolarHBondContact O-CG1 3.44Å; L232-I236 PolarHBondContact O-N 3.33Å |
| 233 | E | 89.8 | Confident | 86.8 | Confident | 83 Ų | 83 | 42.8 Ų | 42.8 | 39% | 0.388 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -57.1 | -47.9 | 176.8 | -68.9 | 154.2 | -157.3 | 0 | 0 | 109.4 | G229 E230 L235 I236 T237 Y266 | G229-E233 PolarHBondContact O-N 3.46Å; E230-E233 PolarHBondContact O-N 3.39Å; E233-L235 PolarHBondContact O-N 3.39Å; E233-I236 PolarHBondContact O-N 3.02Å; E233-T237 WeakPolarHBondContact O-CB 3.47Å; E233-T237 PolarHBondContact O-N 3.43Å; E233-T237 PolarHBondContact O-OG1 2.96Å; E233-T237 VanDerWaalsContact O-OG1 3.04Å; E233-Y266 WeakPolarHBondContact CA-OH 3.44Å; E233-Y266 WeakPolarHBondContact CG-OH 3.27Å |
| 234 | T | 91.1 | Very high | 87.3 | Confident | 26 Ų | 26 | 40.1 Ų | 40.1 | 16% | 0.16 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -55.3 | -47.1 | 172.2 | -61.2 | 0 | 0 | 0 | 0 | 112.3 | L197 E230 L232 K238 | L197-T234 HydrophobicContact CD2-CG2 4.21Å; E230-T234 VanDerWaalsContact O-CB 3.29Å; E230-T234 WeakPolarHBondContact O-CB 3.47Å; E230-T234 PolarHBondContact O-N 2.9Å; E230-T234 PolarHBondContact O-OG1 2.99Å; L232-T234 VanDerWaalsContact C-N 3.29Å; L232-T234 PolarHBondContact O-N 3.49Å; T234-K238 HydrophobicContact CG2-CD 4.23Å; T234-K238 WeakPolarHBondContact O-CB 3.43Å; T234-K238 VanDerWaalsContact O-CG 3.32Å; T234-K238 WeakPolarHBondContact O-CG 3.25Å; T234-K238 PolarHBondContact O-N 3.23Å |
| 235 | L | 92.6 | Very high | 88 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.8 | -45.4 | 177.1 | -78 | -173.9 | 0 | 0 | 0 | 112.8 | L197 F218 F219 I222 Y231 L232 E233 F239 | L197-L235 HydrophobicContact CD1-CD2 3.85Å; L197-L235 HydrophobicContact CD2-CD2 4.28Å; F218-L235 HydrophobicContact CE1-CB 4.2Å; F218-L235 HydrophobicContact CE1-CD2 4.46Å; F218-L235 HydrophobicContact CZ-CD2 4.17Å; F219-L235 HydrophobicContact CE1-CD1 4.42Å; I222-L235 HydrophobicContact CG2-CD1 3.83Å; I222-L235 HydrophobicContact CG2-CD2 3.77Å; I222-L235 HydrophobicContact CG2-CG 4.48Å; Y231-L235 HydrophobicContact CD1-CD1 4.03Å; Y231-L235 HydrophobicContact CD1-CG 4.17Å; Y231-L235 HydrophobicContact CE1-CD1 3.55Å; Y231-L235 HydrophobicContact CE1-CD2 4.22Å; Y231-L235 HydrophobicContact CE1-CG 3.78Å; Y231-L235 WeakPolarHBondContact O-CG 3.19Å; Y231-L235 PolarHBondContact O-N 3.36Å; L232-L235 WeakPolarHBondContact O-CB 3.31Å; L232-L235 PolarHBondContact O-N 3.02Å; L232-L235 VanDerWaalsContact O-N 3.12Å; E233-L235 PolarHBondContact O-N 3.39Å; L235-F239 VanDerWaalsContact O-CB 3.24Å; L235-F239 WeakPolarHBondContact O-CB 3.44Å; L235-F239 PolarHBondContact O-N 3.46Å |
| 236 | I | 93.8 | Very high | 88.7 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -71.3 | -37 | -177.4 | -63.2 | 172 | 0 | 0 | 0 | 110.5 | F219 L232 E233 F239 S240 Y262 C265 Y266 I269 | F219-I236 HydrophobicContact CZ-CG1 4.19Å; L232-I236 HydrophobicContact CD1-CD1 3.74Å; L232-I236 HydrophobicContact CD1-CG1 3.91Å; L232-I236 HydrophobicContact CD2-CD1 4.1Å; L232-I236 HydrophobicContact CG-CD1 3.68Å; L232-I236 HydrophobicContact CG-CG1 4.18Å; L232-I236 WeakPolarHBondContact O-CG1 3.44Å; L232-I236 PolarHBondContact O-N 3.33Å; E233-I236 PolarHBondContact O-N 3.02Å; I236-F239 PolarHBondContact O-N 3.22Å; I236-S240 VanDerWaalsContact O-CB 3.29Å; I236-S240 WeakPolarHBondContact O-CB 3.41Å; I236-S240 PolarHBondContact O-N 2.8Å; I236-S240 PolarHBondContact O-OG 2.97Å; I236-Y262 HydrophobicContact CB-CD2 4.06Å; I236-Y262 HydrophobicContact CB-CE2 4.11Å; I236-Y262 HydrophobicContact CG2-CD2 3.54Å; I236-Y262 HydrophobicContact CG2-CE2 4.02Å; I236-Y262 HydrophobicContact CG2-CG 4.24Å; I236-C265 HydrophobicContact CG2-CB 3.47Å; I236-C265 VanDerWaalsContact CG2-CB 3.47Å; I236-Y266 HydrophobicContact CB-CE2 4.07Å; I236-Y266 HydrophobicContact CD1-CD2 3.89Å; I236-Y266 HydrophobicContact CD1-CE1 4.29Å; I236-Y266 HydrophobicContact CD1-CE2 3.39Å; I236-Y266 HydrophobicContact CD1-CG 4.49Å; I236-Y266 HydrophobicContact CG1-CE2 4.32Å; I236-Y266 HydrophobicContact CG2-CD2 4.14Å; I236-Y266 HydrophobicContact CG2-CE2 3.98Å; I236-I269 HydrophobicContact CD1-CD1 3.48Å; I236-I269 VanDerWaalsContact CD1-CD1 3.48Å; I236-I269 HydrophobicContact CG1-CD1 4.38Å |
| 237 | T | 94.3 | Very high | 89.7 | Confident | 56 Ų | 56 | 40.3 Ų | 40.3 | 34% | 0.344 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -60.1 | -53.9 | 172.8 | -65 | 0 | 0 | 0 | 0 | 110.9 | E233 F239 S240 H241 Y262 | E233-T237 WeakPolarHBondContact O-CB 3.47Å; E233-T237 PolarHBondContact O-N 3.43Å; E233-T237 PolarHBondContact O-OG1 2.96Å; E233-T237 VanDerWaalsContact O-OG1 3.04Å; T237-F239 VanDerWaalsContact C-N 3.34Å; T237-F239 PolarHBondContact O-N 3.4Å; T237-S240 PolarHBondContact O-N 2.7Å; T237-S240 VanDerWaalsContact O-N 3.12Å; T237-H241 PolarHBondContact O-CD2 3.13Å; T237-H241 VanDerWaalsContact O-CD2 3.23Å; T237-H241 PolarHBondContact O-N 2.92Å; T237-H241 VanDerWaalsContact O-N 3.12Å; T237-Y262 WeakPolarHBondContact OG1-CD2 3.4Å; T237-Y262 WeakPolarHBondContact OG1-CE2 3.44Å |
| 238 | K | 94.6 | Very high | 90.6 | Very high | 39 Ų | 39 | 38.8 Ų | 38.8 | 17% | 0.17 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.7 | -41.8 | 178.2 | -67.4 | -179.5 | -173.1 | -56.1 | 0 | 111.9 | L197 D198 V201 T234 S240 R242 | L197-K238 HydrophobicContact CD2-CD 4.11Å; L197-K238 HydrophobicContact CG-CD 4Å; D198-K238 WeakPolarHBondContact OD1-CD 3.31Å; D198-K238 IonicContact OD1-NZ 3.17Å; D198-K238 PolarHBondContact OD1-NZ 3.11Å; D198-K238 IonicContact OD2-NZ 2.7Å; D198-K238 PolarHBondContact OD2-NZ 3.02Å; V201-K238 HydrophobicContact CB-CB 4.48Å; V201-K238 HydrophobicContact CG1-CB 4.17Å; V201-K238 HydrophobicContact CG2-CB 3.97Å; V201-K238 HydrophobicContact CG2-CD 4.33Å; T234-K238 HydrophobicContact CG2-CD 4.23Å; T234-K238 WeakPolarHBondContact O-CB 3.43Å; T234-K238 VanDerWaalsContact O-CG 3.32Å; T234-K238 WeakPolarHBondContact O-CG 3.25Å; T234-K238 PolarHBondContact O-N 3.23Å; K238-S240 PolarHBondContact O-N 3.5Å; K238-R242 WeakPolarHBondContact O-CB 3.47Å; K238-R242 PolarHBondContact O-N 3.33Å; K238-R242 VanDerWaalsContact O-N 3.09Å |
| 239 | F | 95.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -58.1 | -45.2 | 173.1 | 172 | -92.2 | 0 | 0 | 0 | 112.2 | F206 L211 A214 L215 F218 L235 I236 T237 R242 F243 C265 | F206-F239 HydrophobicContact CD1-CE2 4.37Å; F206-F239 HydrophobicContact CD2-CD2 4.49Å; F206-F239 HydrophobicContact CD2-CE2 4.12Å; F206-F239 HydrophobicContact CE1-CD2 4.43Å; F206-F239 AromaticContact CE1-CE2 3.87Å; F206-F239 HydrophobicContact CE1-CE2 3.87Å; F206-F239 AromaticContact CE2-CD2 3.63Å; F206-F239 HydrophobicContact CE2-CD2 3.63Å; F206-F239 AromaticContact CE2-CE2 3.6Å; F206-F239 HydrophobicContact CE2-CE2 3.6Å; F206-F239 HydrophobicContact CG-CE2 4.48Å; F206-F239 AromaticContact CZ-CD2 3.59Å; F206-F239 HydrophobicContact CZ-CD2 3.59Å; F206-F239 AromaticContact CZ-CE2 3.45Å; F206-F239 HydrophobicContact CZ-CE2 3.45Å; F206-F239 VanDerWaalsContact CZ-CE2 3.45Å; L211-F239 HydrophobicContact CD1-CE1 3.75Å; L211-F239 HydrophobicContact CD1-CZ 4.12Å; A214-F239 HydrophobicContact CB-CE2 4.14Å; A214-F239 HydrophobicContact CB-CZ 3.89Å; L215-F239 HydrophobicContact CB-CE1 4.28Å; L215-F239 HydrophobicContact CB-CE2 4.48Å; L215-F239 HydrophobicContact CB-CZ 3.92Å; L215-F239 HydrophobicContact CD1-CD1 3.87Å; L215-F239 HydrophobicContact CD1-CD2 4.4Å; L215-F239 HydrophobicContact CD1-CE1 3.8Å; L215-F239 HydrophobicContact CD1-CE2 4.31Å; L215-F239 HydrophobicContact CD1-CG 4.19Å; L215-F239 HydrophobicContact CD1-CZ 4.02Å; F218-F239 HydrophobicContact CB-CD2 3.74Å; F218-F239 HydrophobicContact CB-CE2 3.85Å; F218-F239 HydrophobicContact CD1-CB 4.06Å; F218-F239 AromaticContact CD1-CD2 3.68Å; F218-F239 HydrophobicContact CD1-CD2 3.68Å; F218-F239 HydrophobicContact CD1-CG 4.11Å; F218-F239 AromaticContact CD2-CD2 3.93Å; F218-F239 HydrophobicContact CD2-CD2 3.93Å; F218-F239 HydrophobicContact CE1-CB 3.72Å; F218-F239 HydrophobicContact CE1-CD2 4.19Å; F218-F239 HydrophobicContact CE1-CG 4.28Å; F218-F239 HydrophobicContact CE2-CB 4.42Å; F218-F239 HydrophobicContact CE2-CD2 4.38Å; F218-F239 AromaticContact CG-CD2 3.52Å; F218-F239 HydrophobicContact CG-CD2 3.52Å; F218-F239 HydrophobicContact CG-CE2 4.17Å; F218-F239 HydrophobicContact CG-CG 4.38Å; F218-F239 HydrophobicContact CZ-CB 3.9Å; L235-F239 VanDerWaalsContact O-CB 3.24Å; L235-F239 WeakPolarHBondContact O-CB 3.44Å; L235-F239 PolarHBondContact O-N 3.46Å; I236-F239 PolarHBondContact O-N 3.22Å; T237-F239 VanDerWaalsContact C-N 3.34Å; T237-F239 PolarHBondContact O-N 3.4Å; F239-R242 CarbonylContact O-C 3.57Å; F239-R242 PolarHBondContact O-N 3Å; F239-R242 VanDerWaalsContact O-N 3.14Å; F239-F243 HydrophobicContact CE1-CB 4.12Å; F239-F243 HydrophobicContact CE1-CG 4.45Å; F239-F243 HydrophobicContact CZ-CB 4.22Å; F239-F243 HydrophobicContact CZ-CD2 4.13Å; F239-F243 HydrophobicContact CZ-CG 4.4Å; F239-F243 WeakPolarHBondContact O-CB 3.39Å; F239-F243 PolarHBondContact O-N 3.16Å; F239-C265 VanDerWaalsContact CE1-SG 3.54Å |
| 240 | S | 95.3 | Very high | 91.7 | Very high | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.007 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -69.5 | -40.9 | -172.8 | -57.7 | 0 | 0 | 0 | 0 | 112.1 | I236 T237 K238 R242 F243 C244 P258 Y262 | I236-S240 VanDerWaalsContact O-CB 3.29Å; I236-S240 WeakPolarHBondContact O-CB 3.41Å; I236-S240 PolarHBondContact O-N 2.8Å; I236-S240 PolarHBondContact O-OG 2.97Å; T237-S240 PolarHBondContact O-N 2.7Å; T237-S240 VanDerWaalsContact O-N 3.12Å; K238-S240 PolarHBondContact O-N 3.5Å; S240-R242 VanDerWaalsContact C-N 3.35Å; S240-F243 PolarHBondContact O-N 3.4Å; S240-C244 PolarHBondContact O-N 3.1Å; S240-C244 VanDerWaalsContact O-N 3.14Å; S240-C244 PolarHBondContact O-SG 3.28Å; S240-P258 VanDerWaalsContact CB-O 3.26Å; S240-P258 WeakPolarHBondContact CB-O 3.41Å; S240-Y262 VanDerWaalsContact OG-CA 3.29Å; S240-Y262 WeakPolarHBondContact OG-CA 3.18Å; S240-Y262 PolarHBondContact OG-N 3.1Å |
| 241 | H | 95 | Very high | 91.7 | Very high | 104 Ų | 104 | 34.9 Ų | 34.9 | 48% | 0.481 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -59.3 | -44.9 | 168.2 | -73.2 | -72 | 0 | 0 | 0 | 111.7 | T237 C244 A245 | T237-H241 PolarHBondContact O-CD2 3.13Å; T237-H241 VanDerWaalsContact O-CD2 3.23Å; T237-H241 PolarHBondContact O-N 2.92Å; T237-H241 VanDerWaalsContact O-N 3.12Å; H241-C244 PolarHBondContact O-N 3.31Å; H241-A245 WeakPolarHBondContact O-CB 3.17Å; H241-A245 PolarHBondContact O-N 3.44Å |
| 242 | R | 96.1 | Very high | 91.6 | Very high | 65 Ų | 65 | 42 Ų | 42 | 25% | 0.245 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -66.3 | -40.4 | -179.5 | -178.1 | 59.8 | -176.6 | 176.3 | 3.3 | 112.9 | V201 T202 H204 F206 K238 F239 S240 A245 C246 | V201-R242 HydrophobicContact CG1-CB 3.7Å; V201-R242 HydrophobicContact CG1-CG 4Å; T202-R242 PolarHBondContact O-NH2 2.89Å; H204-R242 VanDerWaalsContact O-CZ 3.23Å; H204-R242 PolarHBondContact O-NE 2.83Å; H204-R242 PolarHBondContact O-NH2 3.11Å; F206-R242 HydrophobicContact CD2-CB 4.5Å; F206-R242 HydrophobicContact CD2-CG 3.89Å; F206-R242 HydrophobicContact CE2-CB 4.21Å; F206-R242 HydrophobicContact CE2-CG 3.7Å; K238-R242 WeakPolarHBondContact O-CB 3.47Å; K238-R242 PolarHBondContact O-N 3.33Å; K238-R242 VanDerWaalsContact O-N 3.09Å; F239-R242 CarbonylContact O-C 3.57Å; F239-R242 PolarHBondContact O-N 3Å; F239-R242 VanDerWaalsContact O-N 3.14Å; S240-R242 VanDerWaalsContact C-N 3.35Å; R242-A245 PolarHBondContact O-N 3.27Å; R242-C246 PolarHBondContact O-N 3.47Å |
| 243 | F | 95.8 | Very high | 91.4 | Very high | 2 Ų | 2 | 46.9 Ų | 46.9 | 1% | 0.009 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62 | -43.1 | 177 | -177.8 | -94.8 | 0 | 0 | 0 | 111.4 | F206 Q209 L211 A214 F239 S240 C246 N247 L250 V261 | F206-F243 HydrophobicContact CB-CD2 3.83Å; F206-F243 HydrophobicContact CB-CE2 4.35Å; F206-F243 HydrophobicContact CD2-CB 4.34Å; F206-F243 HydrophobicContact CD2-CD2 4.48Å; F206-F243 HydrophobicContact CG-CD2 4.3Å; Q209-F243 WeakPolarHBondContact O-CE2 3.35Å; L211-F243 HydrophobicContact CB-CE1 4.25Å; L211-F243 HydrophobicContact CB-CE2 4.33Å; L211-F243 HydrophobicContact CB-CZ 3.87Å; L211-F243 HydrophobicContact CD1-CD1 3.94Å; L211-F243 HydrophobicContact CD1-CD2 4.12Å; L211-F243 HydrophobicContact CD1-CE1 3.95Å; L211-F243 HydrophobicContact CD1-CE2 4.14Å; L211-F243 HydrophobicContact CD1-CG 4.03Å; L211-F243 HydrophobicContact CD1-CZ 4.06Å; A214-F243 HydrophobicContact CB-CD2 3.76Å; A214-F243 HydrophobicContact CB-CE2 3.77Å; F239-F243 HydrophobicContact CE1-CB 4.12Å; F239-F243 HydrophobicContact CE1-CG 4.45Å; F239-F243 HydrophobicContact CZ-CB 4.22Å; F239-F243 HydrophobicContact CZ-CD2 4.13Å; F239-F243 HydrophobicContact CZ-CG 4.4Å; F239-F243 WeakPolarHBondContact O-CB 3.39Å; F239-F243 PolarHBondContact O-N 3.16Å; S240-F243 PolarHBondContact O-N 3.4Å; F243-C246 PolarHBondContact O-N 3.29Å; F243-N247 WeakPolarHBondContact O-CB 3.4Å; F243-N247 PolarHBondContact O-N 2.83Å; F243-N247 VanDerWaalsContact O-N 3.15Å; F243-N247 PolarHBondContact O-ND2 2.75Å; F243-L250 HydrophobicContact CE1-CD2 3.88Å; F243-L250 HydrophobicContact CZ-CD2 4.04Å; F243-V261 HydrophobicContact CB-CG1 4.36Å; F243-V261 HydrophobicContact CD1-CG1 3.94Å; F243-V261 HydrophobicContact CD1-CG2 4.15Å; F243-V261 HydrophobicContact CG-CG1 4.4Å |
| 244 | C | 93.6 | Very high | 90.9 | Very high | 12 Ų | 12 | 46 Ų | 46 | 8% | 0.081 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.7 | -45 | 173.9 | -65.2 | 0 | 0 | 0 | 0 | 111.9 | S240 H241 C246 N247 V251 P258 | S240-C244 PolarHBondContact O-N 3.1Å; S240-C244 VanDerWaalsContact O-N 3.14Å; S240-C244 PolarHBondContact O-SG 3.28Å; H241-C244 PolarHBondContact O-N 3.31Å; C244-C246 VanDerWaalsContact C-N 3.3Å; C244-C246 PolarHBondContact O-N 2.97Å; C244-N247 CarbonylContact O-C 3.44Å; C244-N247 PolarHBondContact O-N 3.04Å; C244-V251 HydrophobicContact CB-CG2 3.65Å; C244-P258 HydrophobicContact CB-CG 4.32Å |
| 245 | A | 94 | Very high | 90.3 | Very high | 70 Ų | 70 | 46.7 Ų | 46.7 | 58% | 0.579 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -63.2 | -32.3 | 178 | 0 | 0 | 0 | 0 | 0 | 113.5 | H241 R242 | H241-A245 WeakPolarHBondContact O-CB 3.17Å; H241-A245 PolarHBondContact O-N 3.44Å; R242-A245 PolarHBondContact O-N 3.27Å |
| 246 | C | 94.9 | Very high | 89.9 | Confident | 16 Ų | 16 | 46.9 Ų | 46.9 | 11% | 0.108 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -76.6 | -21.2 | 172.2 | -74.5 | 0 | 0 | 0 | 0 | 113.9 | F206 S207 R242 F243 C244 P248 | F206-C246 HydrophobicContact CB-CB 4.07Å; F206-C246 PolarHBondContact N-SG 3.23Å; S207-C246 PolarHBondContact OG-O 2.75Å; R242-C246 PolarHBondContact O-N 3.47Å; F243-C246 PolarHBondContact O-N 3.29Å; C244-C246 VanDerWaalsContact C-N 3.3Å; C244-C246 PolarHBondContact O-N 2.97Å; C246-P248 VanDerWaalsContact C-CD 3.43Å |
| 247 | N | 92.7 | Very high | 89.7 | Confident | 17 Ų | 17 | 48.8 Ų | 48.8 | 9% | 0.091 | 28% | 0.276 | C | S | . | . | trans | -129.7 | 55.1 | -172.3 | -61.8 | -77.5 | 0 | 0 | 0 | 113 | F206 N208 F243 C244 G249 L250 V251 | F206-N247 PolarHBondContact O-ND2 3.42Å; F206-N247 PolarHBondContact O-OD1 3.16Å; N208-N247 PolarHBondContact N-OD1 3.48Å; F243-N247 WeakPolarHBondContact O-CB 3.4Å; F243-N247 PolarHBondContact O-N 2.83Å; F243-N247 VanDerWaalsContact O-N 3.15Å; F243-N247 PolarHBondContact O-ND2 2.75Å; C244-N247 CarbonylContact O-C 3.44Å; C244-N247 PolarHBondContact O-N 3.04Å; N247-G249 PolarHBondContact O-N 3.44Å; N247-L250 HydrophobicContact CB-CB 3.97Å; N247-L250 WeakPolarHBondContact O-CB 3.4Å; N247-L250 PolarHBondContact O-N 3.34Å; N247-V251 PolarHBondContact O-N 2.97Å; N247-V251 VanDerWaalsContact O-N 3.1Å | ||
| 248 | P | 89.6 | Confident | 89.6 | Confident | 85 Ų | 85 | 47.8 Ų | 47.8 | 55% | 0.552 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -63.5 | -25.5 | -174.8 | 26.5 | -35.9 | 0 | 0 | 0 | 113.8 | C246 R252 | C246-P248 VanDerWaalsContact C-CD 3.43Å; P248-R252 PolarHBondContact O-N 3.11Å |
| 249 | G | 86.6 | Confident | 89.4 | Confident | 26 Ų | 26 | 49.3 Ų | 49.3 | 27% | 0.268 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -63.5 | -49.8 | 170 | 0 | 0 | 0 | 0 | 0 | 111.7 | N247 V251 R252 D253 | N247-G249 PolarHBondContact O-N 3.44Å; G249-V251 VanDerWaalsContact C-N 3.32Å; G249-V251 PolarHBondContact O-N 2.82Å; G249-R252 PolarHBondContact O-N 3.03Å; G249-D253 VanDerWaalsContact O-CB 3.28Å; G249-D253 WeakPolarHBondContact O-CB 3.16Å; G249-D253 PolarHBondContact O-N 3.39Å; G249-D253 VanDerWaalsContact O-OD2 3.11Å |
| 250 | L | 82.8 | Confident | 89.2 | Confident | 57 Ų | 57 | 49.8 Ų | 49.8 | 30% | 0.298 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61.2 | -39.4 | 178.8 | -163.5 | 78.2 | 0 | 0 | 0 | 112.3 | F243 N247 L254 L256 | F243-L250 HydrophobicContact CE1-CD2 3.88Å; F243-L250 HydrophobicContact CZ-CD2 4.04Å; N247-L250 HydrophobicContact CB-CB 3.97Å; N247-L250 WeakPolarHBondContact O-CB 3.4Å; N247-L250 PolarHBondContact O-N 3.34Å; L250-L254 HydrophobicContact CD1-CD1 3.55Å; L250-L254 HydrophobicContact CD1-CG 4.17Å; L250-L254 HydrophobicContact CG-CD1 4.03Å; L250-L254 WeakPolarHBondContact O-CB 3.42Å; L250-L254 PolarHBondContact O-N 3.49Å; L250-L256 HydrophobicContact CD2-CD1 4.03Å; L250-L256 HydrophobicContact CG-CD1 4.11Å |
| 251 | V | 84 | Confident | 89.1 | Confident | 48 Ų | 48 | 49.8 Ų | 49.8 | 29% | 0.291 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -56.8 | -49.2 | 174 | 168.3 | 0 | 0 | 0 | 0 | 111.2 | C244 N247 G249 G255 L256 | C244-V251 HydrophobicContact CB-CG2 3.65Å; N247-V251 PolarHBondContact O-N 2.97Å; N247-V251 VanDerWaalsContact O-N 3.1Å; G249-V251 VanDerWaalsContact C-N 3.32Å; G249-V251 PolarHBondContact O-N 2.82Å; V251-G255 CarbonylContact O-C 3.33Å; V251-G255 WeakPolarHBondContact O-CA 3.42Å; V251-G255 PolarHBondContact O-N 3.48Å; V251-L256 WeakPolarHBondContact CG1-O 3.48Å; V251-L256 PolarHBondContact O-N 3.05Å; V251-L256 VanDerWaalsContact O-N 3.15Å |
| 252 | R | 83.2 | Confident | 89 | Confident | 169 Ų | 169 | 46.7 Ų | 46.7 | 64% | 0.638 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -70.3 | -46.7 | 179.3 | -179.4 | -166.5 | 64 | -132.4 | -12.7 | 112.4 | P248 G249 | P248-R252 PolarHBondContact O-N 3.11Å; G249-R252 PolarHBondContact O-N 3.03Å |
| 253 | D | 83.4 | Confident | 88.8 | Confident | 108 Ų | 108 | 43.6 Ų | 43.6 | 58% | 0.578 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -81.2 | -24 | -167 | -59.4 | -23.8 | 0 | 0 | 0 | 112.7 | G249 | G249-D253 VanDerWaalsContact O-CB 3.28Å; G249-D253 WeakPolarHBondContact O-CB 3.16Å; G249-D253 PolarHBondContact O-N 3.39Å; G249-D253 VanDerWaalsContact O-OD2 3.11Å |
| 254 | L | 78.9 | Confident | 88.7 | Confident | 64 Ų | 64 | 43.5 Ų | 43.5 | 34% | 0.335 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -112.3 | 0.9 | 173.5 | -60.1 | -176.3 | 0 | 0 | 0 | 114.1 | L250 L256 F304 | L250-L254 HydrophobicContact CD1-CD1 3.55Å; L250-L254 HydrophobicContact CD1-CG 4.17Å; L250-L254 HydrophobicContact CG-CD1 4.03Å; L250-L254 WeakPolarHBondContact O-CB 3.42Å; L250-L254 PolarHBondContact O-N 3.49Å; L254-L256 VanDerWaalsContact C-N 3.26Å; L254-L256 HydrophobicContact CB-CD1 4.03Å; L254-L256 HydrophobicContact CB-CG 4.06Å; L254-L256 HydrophobicContact CD1-CD1 4.06Å; L254-L256 PolarHBondContact O-N 2.86Å; L254-F304 HydrophobicContact CD1-CD2 3.62Å; L254-F304 HydrophobicContact CD1-CE2 3.6Å; L254-F304 HydrophobicContact CD1-CG 4.36Å; L254-F304 HydrophobicContact CD1-CZ 4.32Å |
| 255 | G | 78.5 | Confident | 88.7 | Confident | 41 Ų | 41 | 43 Ų | 43 | 42% | 0.423 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.5 | 25.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | V251 S257 | V251-G255 CarbonylContact O-C 3.33Å; V251-G255 WeakPolarHBondContact O-CA 3.42Å; V251-G255 PolarHBondContact O-N 3.48Å; G255-S257 PolarHBondContact O-N 2.88Å |
| 256 | L | 84.8 | Confident | 88.6 | Confident | 5 Ų | 5 | 40.9 Ų | 40.9 | 3% | 0.026 | 23% | 0.23 | C | C | . | . | trans | -79.7 | 103.7 | -176.9 | -77.2 | 168.9 | 0 | 0 | 0 | 111.3 | L250 V251 L254 A260 V261 L264 V300 F304 | L250-L256 HydrophobicContact CD2-CD1 4.03Å; L250-L256 HydrophobicContact CG-CD1 4.11Å; V251-L256 WeakPolarHBondContact CG1-O 3.48Å; V251-L256 PolarHBondContact O-N 3.05Å; V251-L256 VanDerWaalsContact O-N 3.15Å; L254-L256 VanDerWaalsContact C-N 3.26Å; L254-L256 HydrophobicContact CB-CD1 4.03Å; L254-L256 HydrophobicContact CB-CG 4.06Å; L254-L256 HydrophobicContact CD1-CD1 4.06Å; L254-L256 PolarHBondContact O-N 2.86Å; L256-A260 HydrophobicContact CD2-CB 4.23Å; L256-V261 HydrophobicContact CB-CG2 4.28Å; L256-V261 HydrophobicContact CD2-CG2 4.43Å; L256-L264 HydrophobicContact CD2-CD1 3.7Å; L256-V300 HydrophobicContact CD2-CG2 4.07Å; L256-F304 HydrophobicContact CD1-CE1 4.3Å; L256-F304 HydrophobicContact CD1-CZ 3.95Å | ||
| 257 | S | 89.1 | Confident | 88.4 | Confident | 40 Ų | 40 | 40.2 Ų | 40.2 | 28% | 0.28 | 23% | 0.226 | S | C | . | . | trans | -74.2 | 162.4 | 166.8 | 79.2 | 0 | 0 | 0 | 0 | 111.5 | G255 D259 A260 V261 | G255-S257 PolarHBondContact O-N 2.88Å; S257-D259 VanDerWaalsContact CB-OD2 3.31Å; S257-D259 WeakPolarHBondContact CB-OD2 3.43Å; S257-D259 PolarHBondContact O-N 3.26Å; S257-D259 PolarHBondContact OG-N 3.12Å; S257-D259 PolarHBondContact OG-OD2 3.34Å; S257-A260 PolarHBondContact O-N 2.85Å; S257-A260 PolarHBondContact OG-N 2.98Å; S257-A260 VanDerWaalsContact OG-N 3.1Å; S257-V261 WeakPolarHBondContact O-CG2 3.29Å; S257-V261 PolarHBondContact O-N 3.42Å | ||
| 258 | P | 92.1 | Very high | 88.5 | Confident | 35 Ų | 35 | 39.4 Ų | 39.4 | 23% | 0.227 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -53.1 | -35.7 | 170.1 | -26.3 | 36.3 | 0 | 0 | 0 | 112.9 | S240 C244 V261 Y262 | S240-P258 VanDerWaalsContact CB-O 3.26Å; S240-P258 WeakPolarHBondContact CB-O 3.41Å; C244-P258 HydrophobicContact CB-CG 4.32Å; P258-V261 CarbonylContact O-C 3.57Å; P258-V261 PolarHBondContact O-N 2.7Å; P258-Y262 WeakPolarHBondContact O-CB 3.34Å; P258-Y262 PolarHBondContact O-N 3.44Å |
| 259 | D | 90.9 | Very high | 88.5 | Confident | 71 Ų | 71 | 35.5 Ų | 35.5 | 38% | 0.38 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -73.2 | -40.2 | -177.9 | -23.3 | -80.1 | 0 | 0 | 0 | 111.3 | L24 S257 V261 Y262 V263 | L24-D259 HydrophobicContact CD1-CB 3.83Å; L24-D259 HydrophobicContact CD2-CB 3.68Å; L24-D259 HydrophobicContact CG-CB 4.35Å; S257-D259 VanDerWaalsContact CB-OD2 3.31Å; S257-D259 WeakPolarHBondContact CB-OD2 3.43Å; S257-D259 PolarHBondContact O-N 3.26Å; S257-D259 PolarHBondContact OG-N 3.12Å; S257-D259 PolarHBondContact OG-OD2 3.34Å; D259-V261 VanDerWaalsContact C-N 3.31Å; D259-V261 PolarHBondContact O-N 2.84Å; D259-Y262 WeakPolarHBondContact O-CB 3.29Å; D259-Y262 PolarHBondContact O-N 2.83Å; D259-V263 WeakPolarHBondContact O-CG2 3.44Å; D259-V263 PolarHBondContact O-N 2.98Å |
| 260 | A | 91.1 | Very high | 88.6 | Confident | 10 Ų | 10 | 34.7 Ų | 34.7 | 8% | 0.083 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.1 | -42.2 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111 | L256 S257 Y262 V263 L264 | L256-A260 HydrophobicContact CD2-CB 4.23Å; S257-A260 PolarHBondContact O-N 2.85Å; S257-A260 PolarHBondContact OG-N 2.98Å; S257-A260 VanDerWaalsContact OG-N 3.1Å; A260-Y262 VanDerWaalsContact C-N 3.34Å; A260-Y262 PolarHBondContact O-N 3.32Å; A260-V263 PolarHBondContact O-N 3.46Å; A260-L264 WeakPolarHBondContact O-CB 3.25Å; A260-L264 WeakPolarHBondContact O-CG 3.33Å; A260-L264 PolarHBondContact O-N 2.86Å |
| 261 | V | 93.5 | Very high | 89.1 | Confident | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.006 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64.1 | -38.4 | 175.1 | 174.1 | 0 | 0 | 0 | 0 | 111.6 | L211 F243 L256 S257 P258 D259 L264 C265 | L211-V261 HydrophobicContact CD1-CG1 3.76Å; L211-V261 HydrophobicContact CD2-CG1 4.44Å; F243-V261 HydrophobicContact CB-CG1 4.36Å; F243-V261 HydrophobicContact CD1-CG1 3.94Å; F243-V261 HydrophobicContact CD1-CG2 4.15Å; F243-V261 HydrophobicContact CG-CG1 4.4Å; L256-V261 HydrophobicContact CB-CG2 4.28Å; L256-V261 HydrophobicContact CD2-CG2 4.43Å; S257-V261 WeakPolarHBondContact O-CG2 3.29Å; S257-V261 PolarHBondContact O-N 3.42Å; P258-V261 CarbonylContact O-C 3.57Å; P258-V261 PolarHBondContact O-N 2.7Å; D259-V261 VanDerWaalsContact C-N 3.31Å; D259-V261 PolarHBondContact O-N 2.84Å; V261-L264 PolarHBondContact O-N 2.96Å; V261-C265 PolarHBondContact O-N 3.45Å; V261-C265 PolarHBondContact O-SG 2.73Å |
| 262 | Y | 93.6 | Very high | 89.4 | Confident | 38 Ų | 38 | 29.7 Ų | 29.7 | 15% | 0.149 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.2 | -50.7 | 175.8 | 173.8 | -93.4 | 0 | 0 | 0 | 111.7 | L20 I236 T237 S240 P258 D259 A260 L264 C265 Y266 | L20-Y262 HydrophobicContact CD1-CE1 3.81Å; L20-Y262 HydrophobicContact CD2-CD1 4.32Å; L20-Y262 HydrophobicContact CD2-CE1 4Å; L20-Y262 HydrophobicContact CG-CE1 4.09Å; I236-Y262 HydrophobicContact CB-CD2 4.06Å; I236-Y262 HydrophobicContact CB-CE2 4.11Å; I236-Y262 HydrophobicContact CG2-CD2 3.54Å; I236-Y262 HydrophobicContact CG2-CE2 4.02Å; I236-Y262 HydrophobicContact CG2-CG 4.24Å; T237-Y262 WeakPolarHBondContact OG1-CD2 3.4Å; T237-Y262 WeakPolarHBondContact OG1-CE2 3.44Å; S240-Y262 VanDerWaalsContact OG-CA 3.29Å; S240-Y262 WeakPolarHBondContact OG-CA 3.18Å; S240-Y262 PolarHBondContact OG-N 3.1Å; P258-Y262 WeakPolarHBondContact O-CB 3.34Å; P258-Y262 PolarHBondContact O-N 3.44Å; D259-Y262 WeakPolarHBondContact O-CB 3.29Å; D259-Y262 PolarHBondContact O-N 2.83Å; A260-Y262 VanDerWaalsContact C-N 3.34Å; A260-Y262 PolarHBondContact O-N 3.32Å; Y262-L264 VanDerWaalsContact C-N 3.32Å; Y262-L264 PolarHBondContact O-N 3.39Å; Y262-C265 WeakPolarHBondContact O-CB 3.49Å; Y262-C265 PolarHBondContact O-N 3.24Å; Y262-C265 VanDerWaalsContact O-N 3.11Å; Y262-Y266 HydrophobicContact CD1-CD2 4.39Å; Y262-Y266 HydrophobicContact CD2-CE2 4.26Å; Y262-Y266 HydrophobicContact CE1-CD2 4.14Å; Y262-Y266 HydrophobicContact CE1-CE2 4.04Å; Y262-Y266 HydrophobicContact CE2-CD2 4.27Å; Y262-Y266 AromaticContact CE2-CE2 3.62Å; Y262-Y266 HydrophobicContact CE2-CE2 3.62Å; Y262-Y266 AromaticContact CZ-CE2 3.49Å; Y262-Y266 VanDerWaalsContact CZ-CE2 3.49Å; Y262-Y266 PolarHBondContact O-N 2.99Å |
| 263 | V | 92 | Very high | 89.5 | Confident | 1 Ų | 1 | 23.3 Ų | 23.3 | 1% | 0.006 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -60 | -40.1 | 174.8 | 171.2 | 0 | 0 | 0 | 0 | 112.2 | L20 L24 D259 A260 Y266 S267 A296 A297 | L20-V263 HydrophobicContact CD2-CG2 4.01Å; L20-V263 HydrophobicContact CG-CG2 4.18Å; L24-V263 HydrophobicContact CD1-CG2 3.53Å; D259-V263 WeakPolarHBondContact O-CG2 3.44Å; D259-V263 PolarHBondContact O-N 2.98Å; A260-V263 PolarHBondContact O-N 3.46Å; V263-Y266 PolarHBondContact O-N 2.96Å; V263-S267 WeakPolarHBondContact O-CB 3.38Å; V263-S267 PolarHBondContact O-N 3.49Å; V263-S267 PolarHBondContact O-OG 3.47Å; V263-A296 HydrophobicContact CG1-CB 3.38Å; V263-A297 HydrophobicContact CG1-CB 4.09Å |
| 264 | L | 93.3 | Very high | 89.8 | Confident | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -64.3 | -40.7 | 174.7 | -71 | 172.8 | 0 | 0 | 0 | 111.4 | L211 L256 A260 V261 Y262 S267 L268 T293 V300 F304 L308 | L211-L264 HydrophobicContact CD2-CB 3.77Å; L211-L264 HydrophobicContact CD2-CD1 4.01Å; L256-L264 HydrophobicContact CD2-CD1 3.7Å; A260-L264 WeakPolarHBondContact O-CB 3.25Å; A260-L264 WeakPolarHBondContact O-CG 3.33Å; A260-L264 PolarHBondContact O-N 2.86Å; V261-L264 PolarHBondContact O-N 2.96Å; Y262-L264 VanDerWaalsContact C-N 3.32Å; Y262-L264 PolarHBondContact O-N 3.39Å; L264-S267 PolarHBondContact O-N 2.95Å; L264-L268 WeakPolarHBondContact O-CB 3.41Å; L264-L268 WeakPolarHBondContact O-CG 3.37Å; L264-L268 PolarHBondContact O-N 2.93Å; L264-T293 HydrophobicContact CD2-CG2 3.46Å; L264-T293 VanDerWaalsContact CD2-CG2 3.46Å; L264-V300 HydrophobicContact CD1-CG2 4.34Å; L264-F304 HydrophobicContact CD1-CE1 4.07Å; L264-L308 HydrophobicContact CD1-CD1 4.36Å; L264-L308 HydrophobicContact CD2-CD1 3.72Å; L264-L308 HydrophobicContact CG-CD1 4.45Å |
| 265 | C | 94 | Very high | 90.3 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -61.9 | -45 | 176.2 | -68.7 | 0 | 0 | 0 | 0 | 112.1 | L215 I236 F239 V261 Y262 S267 L268 I269 | L215-C265 HydrophobicContact CD1-CB 4.37Å; L215-C265 HydrophobicContact CD2-CB 3.86Å; I236-C265 HydrophobicContact CG2-CB 3.47Å; I236-C265 VanDerWaalsContact CG2-CB 3.47Å; F239-C265 VanDerWaalsContact CE1-SG 3.54Å; V261-C265 PolarHBondContact O-N 3.45Å; V261-C265 PolarHBondContact O-SG 2.73Å; Y262-C265 WeakPolarHBondContact O-CB 3.49Å; Y262-C265 PolarHBondContact O-N 3.24Å; Y262-C265 VanDerWaalsContact O-N 3.11Å; C265-S267 VanDerWaalsContact C-N 3.34Å; C265-S267 PolarHBondContact O-N 3.42Å; C265-L268 PolarHBondContact O-N 3.07Å; C265-I269 VanDerWaalsContact O-CG1 3.29Å; C265-I269 WeakPolarHBondContact O-CG1 3.38Å; C265-I269 PolarHBondContact O-N 3.34Å |
| 266 | Y | 90.7 | Very high | 90.7 | Very high | 26 Ų | 26 | 18.2 Ų | 18.2 | 10% | 0.102 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -59.4 | -44.7 | 172.8 | -90 | -88.1 | 0 | 0 | 0 | 112 | L20 E233 I236 Y262 V263 L268 I269 L270 | L20-Y266 HydrophobicContact CD2-CD2 4.16Å; L20-Y266 HydrophobicContact CD2-CG 4.09Å; E233-Y266 WeakPolarHBondContact CA-OH 3.44Å; E233-Y266 WeakPolarHBondContact CG-OH 3.27Å; I236-Y266 HydrophobicContact CB-CE2 4.07Å; I236-Y266 HydrophobicContact CD1-CD2 3.89Å; I236-Y266 HydrophobicContact CD1-CE1 4.29Å; I236-Y266 HydrophobicContact CD1-CE2 3.39Å; I236-Y266 HydrophobicContact CD1-CG 4.49Å; I236-Y266 HydrophobicContact CG1-CE2 4.32Å; I236-Y266 HydrophobicContact CG2-CD2 4.14Å; I236-Y266 HydrophobicContact CG2-CE2 3.98Å; Y262-Y266 HydrophobicContact CD1-CD2 4.39Å; Y262-Y266 HydrophobicContact CD2-CE2 4.26Å; Y262-Y266 HydrophobicContact CE1-CD2 4.14Å; Y262-Y266 HydrophobicContact CE1-CE2 4.04Å; Y262-Y266 HydrophobicContact CE2-CD2 4.27Å; Y262-Y266 AromaticContact CE2-CE2 3.62Å; Y262-Y266 HydrophobicContact CE2-CE2 3.62Å; Y262-Y266 AromaticContact CZ-CE2 3.49Å; Y262-Y266 VanDerWaalsContact CZ-CE2 3.49Å; Y262-Y266 PolarHBondContact O-N 2.99Å; V263-Y266 PolarHBondContact O-N 2.96Å; Y266-L268 PolarHBondContact O-N 2.82Å; Y266-I269 PolarHBondContact O-N 3.12Å; Y266-L270 WeakPolarHBondContact O-CB 3.36Å; Y266-L270 VanDerWaalsContact O-CG 3.24Å; Y266-L270 WeakPolarHBondContact O-CG 3.27Å; Y266-L270 PolarHBondContact O-N 3.46Å |
| 267 | S | 92.6 | Very high | 90.7 | Very high | 2 Ų | 2 | 18.9 Ų | 18.9 | 1% | 0.014 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -63.2 | -39.9 | 178.6 | -57.8 | 0 | 0 | 0 | 0 | 112.1 | Q17 V263 L264 C265 L271 | Q17-S267 PolarHBondContact NE2-OG 2.66Å; Q17-S267 VanDerWaalsContact NE2-OG 3.11Å; V263-S267 WeakPolarHBondContact O-CB 3.38Å; V263-S267 PolarHBondContact O-N 3.49Å; V263-S267 PolarHBondContact O-OG 3.47Å; L264-S267 PolarHBondContact O-N 2.95Å; C265-S267 VanDerWaalsContact C-N 3.34Å; C265-S267 PolarHBondContact O-N 3.42Å; S267-L271 WeakPolarHBondContact O-CB 3.4Å; S267-L271 PolarHBondContact O-N 2.91Å |
| 268 | L | 93.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -64.4 | -42.8 | 174.5 | -72 | 168.2 | 0 | 0 | 0 | 112.6 | L211 P212 L215 L264 C265 Y266 L271 S272 L308 I312 | L211-L268 HydrophobicContact CD2-CD1 4.09Å; L211-L268 HydrophobicContact CG-CD1 3.99Å; P212-L268 HydrophobicContact CB-CD1 4.2Å; P212-L268 HydrophobicContact CB-CD2 4.2Å; P212-L268 HydrophobicContact CG-CD1 3.95Å; P212-L268 HydrophobicContact CG-CD2 3.82Å; L215-L268 HydrophobicContact CD2-CB 4.27Å; L215-L268 HydrophobicContact CD2-CD1 4.13Å; L264-L268 WeakPolarHBondContact O-CB 3.41Å; L264-L268 WeakPolarHBondContact O-CG 3.37Å; L264-L268 PolarHBondContact O-N 2.93Å; C265-L268 PolarHBondContact O-N 3.07Å; Y266-L268 PolarHBondContact O-N 2.82Å; L268-L271 PolarHBondContact O-N 3.12Å; L268-S272 WeakPolarHBondContact O-CB 3.33Å; L268-S272 PolarHBondContact O-N 3.15Å; L268-L308 HydrophobicContact CD1-CD2 4.39Å; L268-L308 HydrophobicContact CD2-CB 4.02Å; L268-L308 HydrophobicContact CD2-CD2 4.3Å; L268-I312 HydrophobicContact CD2-CD1 3.87Å; L268-I312 HydrophobicContact CD2-CG1 3.6Å |
| 269 | I | 90.5 | Very high | 89.9 | Confident | 3 Ų | 3 | 26.8 Ų | 26.8 | 2% | 0.015 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63.8 | -49.7 | 177.1 | -69.2 | 163.7 | 0 | 0 | 0 | 109.8 | W6 L215 F219 I236 C265 Y266 L271 S272 I273 V318 | W6-I269 HydrophobicContact CE3-CG2 4.38Å; W6-I269 HydrophobicContact CH2-CG2 4.13Å; W6-I269 HydrophobicContact CZ3-CG2 3.88Å; L215-I269 HydrophobicContact CD2-CG1 4.43Å; F219-I269 HydrophobicContact CE2-CD1 3.88Å; F219-I269 HydrophobicContact CE2-CG1 4.31Å; F219-I269 HydrophobicContact CZ-CD1 4.02Å; I236-I269 HydrophobicContact CD1-CD1 3.48Å; I236-I269 VanDerWaalsContact CD1-CD1 3.48Å; I236-I269 HydrophobicContact CG1-CD1 4.38Å; C265-I269 VanDerWaalsContact O-CG1 3.29Å; C265-I269 WeakPolarHBondContact O-CG1 3.38Å; C265-I269 PolarHBondContact O-N 3.34Å; Y266-I269 PolarHBondContact O-N 3.12Å; I269-L271 PolarHBondContact O-N 2.72Å; I269-S272 PolarHBondContact O-N 3.23Å; I269-S272 VanDerWaalsContact O-N 3.15Å; I269-S272 PolarHBondContact O-OG 2.88Å; I269-I273 HydrophobicContact CG2-CD1 3.73Å; I269-I273 WeakPolarHBondContact O-CG1 3.43Å; I269-I273 PolarHBondContact O-N 3.24Å; I269-V318 HydrophobicContact CG1-CG1 4.13Å |
| 270 | L | 88.8 | Confident | 89.6 | Confident | 9 Ų | 9 | 25.4 Ų | 25.4 | 5% | 0.047 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -56 | -47.5 | 176.4 | -69 | 169.5 | 0 | 0 | 0 | 111.9 | Q13 Q17 R228 Y266 S272 I273 D274 | Q13-L270 HydrophobicContact CG-CD2 4.29Å; Q17-L270 HydrophobicContact CG-CD1 4.23Å; R228-L270 VanDerWaalsContact NH2-CD2 3.26Å; Y266-L270 WeakPolarHBondContact O-CB 3.36Å; Y266-L270 VanDerWaalsContact O-CG 3.24Å; Y266-L270 WeakPolarHBondContact O-CG 3.27Å; Y266-L270 PolarHBondContact O-N 3.46Å; L270-S272 PolarHBondContact O-N 3.33Å; L270-I273 PolarHBondContact O-N 3.34Å; L270-D274 WeakPolarHBondContact O-CB 3.42Å; L270-D274 PolarHBondContact O-N 2.73Å |
| 271 | L | 91.8 | Very high | 89.3 | Confident | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.4 | -42.4 | 176.6 | 179 | 66.6 | 0 | 0 | 0 | 111.9 | S267 L268 I269 I273 D274 L275 M284 F289 Y309 I312 | S267-L271 WeakPolarHBondContact O-CB 3.4Å; S267-L271 PolarHBondContact O-N 2.91Å; L268-L271 PolarHBondContact O-N 3.12Å; I269-L271 PolarHBondContact O-N 2.72Å; L271-I273 VanDerWaalsContact C-N 3.29Å; L271-I273 PolarHBondContact O-N 3.37Å; L271-D274 PolarHBondContact O-N 3.48Å; L271-L275 HydrophobicContact CD1-CD1 3.85Å; L271-L275 HydrophobicContact CD1-CD2 4.43Å; L271-L275 HydrophobicContact CD1-CG 3.88Å; L271-L275 HydrophobicContact CD2-CD1 4.44Å; L271-L275 HydrophobicContact CG-CD1 3.89Å; L271-L275 HydrophobicContact CG-CG 4.24Å; L271-L275 WeakPolarHBondContact O-CB 3.18Å; L271-L275 WeakPolarHBondContact O-CG 3.33Å; L271-L275 PolarHBondContact O-N 3.5Å; L271-M284 HydrophobicContact CD1-CB 4.37Å; L271-M284 HydrophobicContact CD1-SD 4.38Å; L271-F289 HydrophobicContact CB-CD2 4Å; L271-F289 HydrophobicContact CB-CE2 3.81Å; L271-F289 HydrophobicContact CD1-CD2 4.06Å; L271-F289 HydrophobicContact CD1-CG 4.48Å; L271-F289 HydrophobicContact CD2-CD1 4.36Å; L271-F289 HydrophobicContact CD2-CD2 3.78Å; L271-F289 HydrophobicContact CD2-CE1 4.3Å; L271-F289 HydrophobicContact CD2-CE2 3.74Å; L271-F289 HydrophobicContact CD2-CG 4.09Å; L271-F289 HydrophobicContact CD2-CZ 4Å; L271-F289 HydrophobicContact CG-CD2 4.15Å; L271-F289 HydrophobicContact CG-CE2 4.26Å; L271-Y309 HydrophobicContact CD1-CD2 3.8Å; L271-Y309 HydrophobicContact CD1-CE2 3.72Å; L271-Y309 HydrophobicContact CD2-CD2 3.6Å; L271-Y309 HydrophobicContact CD2-CE2 4.29Å; L271-Y309 HydrophobicContact CD2-CG 4.2Å; L271-Y309 HydrophobicContact CG-CD2 4.35Å; L271-I312 HydrophobicContact CD2-CB 3.87Å; L271-I312 HydrophobicContact CD2-CG1 4.04Å; L271-I312 HydrophobicContact CD2-CG2 4.17Å; L271-I312 HydrophobicContact CG-CB 4.4Å; L271-I312 HydrophobicContact CG-CG2 4.14Å |
| 272 | S | 90.5 | Very high | 89 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64.2 | -35.4 | -179.6 | 78.4 | 0 | 0 | 0 | 0 | 112.5 | L268 I269 L270 T276 H317 | L268-S272 WeakPolarHBondContact O-CB 3.33Å; L268-S272 PolarHBondContact O-N 3.15Å; I269-S272 PolarHBondContact O-N 3.23Å; I269-S272 VanDerWaalsContact O-N 3.15Å; I269-S272 PolarHBondContact O-OG 2.88Å; L270-S272 PolarHBondContact O-N 3.33Å; S272-T276 WeakPolarHBondContact O-CB 3.42Å; S272-T276 WeakPolarHBondContact O-CG2 3.48Å; S272-T276 PolarHBondContact O-N 3.38Å; S272-T276 VanDerWaalsContact O-N 3.12Å; S272-T276 PolarHBondContact O-OG1 2.99Å; S272-H317 PolarHBondContact O-CD2 3.28Å |
| 273 | I | 86.5 | Confident | 88.8 | Confident | 34 Ų | 34 | 43 Ų | 43 | 17% | 0.174 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -74.8 | -41.6 | 176.8 | -65.4 | 162.8 | 0 | 0 | 0 | 110.7 | W6 I269 L270 L271 S277 | W6-I273 HydrophobicContact CB-CD1 4.04Å; W6-I273 HydrophobicContact CB-CG2 4.31Å; W6-I273 HydrophobicContact CD2-CD1 3.57Å; W6-I273 HydrophobicContact CE3-CD1 3.37Å; W6-I273 HydrophobicContact CG-CD1 3.83Å; W6-I273 HydrophobicContact CZ3-CD1 4.17Å; I269-I273 HydrophobicContact CG2-CD1 3.73Å; I269-I273 WeakPolarHBondContact O-CG1 3.43Å; I269-I273 PolarHBondContact O-N 3.24Å; L270-I273 PolarHBondContact O-N 3.34Å; L271-I273 VanDerWaalsContact C-N 3.29Å; L271-I273 PolarHBondContact O-N 3.37Å; I273-S277 WeakPolarHBondContact O-CB 3.46Å; I273-S277 PolarHBondContact O-N 3.4Å |
| 274 | D | 89.9 | Confident | 88.8 | Confident | 7 Ų | 7 | 44.1 Ų | 44.1 | 4% | 0.037 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -58.2 | -52.1 | 174.5 | -176.5 | 89.6 | 0 | 0 | 0 | 111.3 | L270 L271 T276 V280 K283 M284 | L270-D274 WeakPolarHBondContact O-CB 3.42Å; L270-D274 PolarHBondContact O-N 2.73Å; L271-D274 PolarHBondContact O-N 3.48Å; D274-T276 PolarHBondContact O-N 2.94Å; D274-V280 WeakPolarHBondContact OD1-CG1 3.35Å; D274-K283 VanDerWaalsContact O-CD 3.31Å; D274-K283 WeakPolarHBondContact O-CD 3.24Å; D274-K283 PolarHBondContact O-NZ 2.75Å; D274-K283 WeakPolarHBondContact OD2-CA 3.05Å; D274-M284 PolarHBondContact OD2-N 3.16Å |
| 275 | L | 89.5 | Confident | 88.9 | Confident | 32 Ų | 32 | 46.2 Ų | 46.2 | 17% | 0.168 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.5 | -41.6 | -178.1 | -69 | -178.9 | 0 | 0 | 0 | 112.6 | L271 K283 I312 Y313 | L271-L275 HydrophobicContact CD1-CD1 3.85Å; L271-L275 HydrophobicContact CD1-CD2 4.43Å; L271-L275 HydrophobicContact CD1-CG 3.88Å; L271-L275 HydrophobicContact CD2-CD1 4.44Å; L271-L275 HydrophobicContact CG-CD1 3.89Å; L271-L275 HydrophobicContact CG-CG 4.24Å; L271-L275 WeakPolarHBondContact O-CB 3.18Å; L271-L275 WeakPolarHBondContact O-CG 3.33Å; L271-L275 PolarHBondContact O-N 3.5Å; L275-K283 HydrophobicContact CD2-CB 4.13Å; L275-K283 WeakPolarHBondContact O-CE 3.4Å; L275-K283 PolarHBondContact O-NZ 2.79Å; L275-I312 HydrophobicContact CD1-CG2 4.03Å; L275-Y313 HydrophobicContact CD1-CD2 4.29Å |
| 276 | T | 86.4 | Confident | 88.9 | Confident | 68 Ų | 68 | 49.7 Ų | 49.7 | 42% | 0.417 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -86.1 | -27.1 | -176.6 | 58.4 | 0 | 0 | 0 | 0 | 115.1 | S272 D274 P278 H317 | S272-T276 WeakPolarHBondContact O-CB 3.42Å; S272-T276 WeakPolarHBondContact O-CG2 3.48Å; S272-T276 PolarHBondContact O-N 3.38Å; S272-T276 VanDerWaalsContact O-N 3.12Å; S272-T276 PolarHBondContact O-OG1 2.99Å; D274-T276 PolarHBondContact O-N 2.94Å; T276-P278 WeakPolarHBondContact O-CD 3.2Å; T276-H317 HydrophobicContact CG2-CB 4.39Å; T276-H317 PolarHBondContact OG1-CD2 2.95Å; T276-H317 VanDerWaalsContact OG1-CD2 3.28Å |
| 277 | S | 84.1 | Confident | 89 | Confident | 19 Ų | 19 | 58.2 Ų | 58.2 | 13% | 0.133 | 29% | 0.289 | C | S | . | . | trans | -67.4 | 122.7 | -175.6 | 176.4 | 0 | 0 | 0 | 0 | 112.3 | I273 H279 V280 K283 | I273-S277 WeakPolarHBondContact O-CB 3.46Å; I273-S277 PolarHBondContact O-N 3.4Å; S277-H279 PolarHBondContact O-N 3.2Å; S277-H279 VanDerWaalsContact O-N 3.15Å; S277-H279 PolarHBondContact OG-N 2.77Å; S277-V280 PolarHBondContact O-N 3.34Å; S277-K283 PolarHBondContact O-NZ 2.72Å | ||
| 278 | P | 84.6 | Confident | 89 | Confident | 107 Ų | 107 | 61.6 Ų | 61.6 | 70% | 0.695 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -11.3 | 179.7 | 29 | -35.7 | 0 | 0 | 0 | 113.3 | T276 | T276-P278 WeakPolarHBondContact O-CD 3.2Š|
| 279 | H | 80.4 | Confident | 89 | Confident | 134 Ų | 134 | 61.7 Ų | 61.7 | 62% | 0.62 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -22.6 | 178.3 | -55.9 | 89.9 | 0 | 0 | 0 | 112.6 | S277 K281 | S277-H279 PolarHBondContact O-N 3.2Å; S277-H279 VanDerWaalsContact O-N 3.15Å; S277-H279 PolarHBondContact OG-N 2.77Å; H279-K281 PolarHBondContact O-N 2.79Å |
| 280 | V | 85.1 | Confident | 89.1 | Confident | 41 Ų | 41 | 62.8 Ų | 62.8 | 25% | 0.248 | 31% | 0.31 | C | S | . | . | trans | -82.9 | 104 | 176.7 | -177.2 | 0 | 0 | 0 | 0 | 109.1 | D274 S277 N282 K283 | D274-V280 WeakPolarHBondContact OD1-CG1 3.35Å; S277-V280 PolarHBondContact O-N 3.34Å; V280-N282 VanDerWaalsContact CG1-O 3.31Å; V280-N282 WeakPolarHBondContact CG1-O 3.3Å; V280-K283 HydrophobicContact CB-CD 4.25Å; V280-K283 HydrophobicContact CG1-CD 4.01Å; V280-K283 WeakPolarHBondContact O-CE 3.47Å; V280-K283 PolarHBondContact O-NZ 3.5Å | ||
| 281 | K | 83.4 | Confident | 89.3 | Confident | 194 Ų | 194 | 68.2 Ų | 68.2 | 84% | 0.843 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -72.5 | -43.5 | 177.4 | -63.9 | -175.4 | 178.9 | -177.4 | 0 | 112.6 | H279 | H279-K281 PolarHBondContact O-N 2.79Š|
| 282 | N | 88.3 | Confident | 89.2 | Confident | 149 Ų | 149 | 68.9 Ų | 68.9 | 80% | 0.797 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -104.5 | 97.9 | -178.9 | -64 | 0.6 | 0 | 0 | 0 | 108.2 | V280 | V280-N282 VanDerWaalsContact CG1-O 3.31Å; V280-N282 WeakPolarHBondContact CG1-O 3.3Å |
| 283 | K | 89.9 | Confident | 89.1 | Confident | 76 Ų | 76 | 68.9 Ų | 68.9 | 33% | 0.33 | 33% | 0.334 | S | S | . | . | P | Polyproline II helix | trans | -69.9 | 143.7 | 180 | -57.5 | -59.3 | -175.8 | 164.6 | 0 | 111.3 | D274 L275 S277 V280 S285 | D274-K283 VanDerWaalsContact O-CD 3.31Å; D274-K283 WeakPolarHBondContact O-CD 3.24Å; D274-K283 PolarHBondContact O-NZ 2.75Å; D274-K283 WeakPolarHBondContact OD2-CA 3.05Å; L275-K283 HydrophobicContact CD2-CB 4.13Å; L275-K283 WeakPolarHBondContact O-CE 3.4Å; L275-K283 PolarHBondContact O-NZ 2.79Å; S277-K283 PolarHBondContact O-NZ 2.72Å; V280-K283 HydrophobicContact CB-CD 4.25Å; V280-K283 HydrophobicContact CG1-CD 4.01Å; V280-K283 WeakPolarHBondContact O-CE 3.47Å; V280-K283 PolarHBondContact O-NZ 3.5Å; K283-S285 PolarHBondContact O-N 3.37Å |
| 284 | M | 91.2 | Very high | 89.2 | Confident | 24 Ų | 24 | 71.6 Ų | 71.6 | 12% | 0.118 | 34% | 0.342 | C | S | . | . | P | Polyproline II helix | trans | -61.3 | 121.4 | 175.3 | -172.6 | -179 | -59.5 | 0 | 0 | 110.3 | L271 D274 E288 F289 Y309 | L271-M284 HydrophobicContact CD1-CB 4.37Å; L271-M284 HydrophobicContact CD1-SD 4.38Å; D274-M284 PolarHBondContact OD2-N 3.16Å; M284-E288 HydrophobicContact CG-CB 3.96Å; M284-F289 HydrophobicContact CG-CB 4.3Å; M284-F289 HydrophobicContact SD-CB 3.83Å; M284-F289 HydrophobicContact SD-CD2 3.95Å; M284-F289 HydrophobicContact SD-CG 4.41Å; M284-Y309 WeakPolarHBondContact O-CE2 3.32Å; M284-Y309 PolarHBondContact O-OH 3Å |
| 285 | S | 94.6 | Very high | 88.8 | Confident | 44 Ų | 44 | 77.1 Ų | 77.1 | 31% | 0.308 | 36% | 0.362 | S | S | . | . | P | Polyproline II helix | trans | -76.5 | 156.8 | 176.8 | 70 | 0 | 0 | 0 | 0 | 112.1 | K283 R287 E288 F289 | K283-S285 PolarHBondContact O-N 3.37Å; S285-R287 PolarHBondContact O-N 3.47Å; S285-R287 VanDerWaalsContact O-N 3.12Å; S285-E288 VanDerWaalsContact CB-OE2 3.25Å; S285-E288 WeakPolarHBondContact CB-OE2 3.45Å; S285-E288 PolarHBondContact N-OE2 3.05Å; S285-E288 PolarHBondContact O-N 3.32Å; S285-E288 WeakPolarHBondContact OG-CG 3.43Å; S285-E288 PolarHBondContact OG-N 3.29Å; S285-E288 PolarHBondContact OG-OE2 3.44Å; S285-F289 PolarHBondContact O-N 3.01Å |
| 286 | K | 94.5 | Very high | 88.3 | Confident | 74 Ų | 74 | 76 Ų | 76 | 32% | 0.322 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -48.6 | -41.6 | 175.3 | -173.6 | 172.2 | -175.3 | 171.5 | 0 | 113.1 | F289 I290 G306 Y309 D310 | K286-F289 PolarHBondContact O-N 2.85Å; K286-I290 HydrophobicContact CG-CD1 3.94Å; K286-I290 VanDerWaalsContact O-CG1 3.25Å; K286-I290 WeakPolarHBondContact O-CG1 3.45Å; K286-I290 PolarHBondContact O-N 3.46Å; K286-G306 VanDerWaalsContact CE-O 3.27Å; K286-G306 WeakPolarHBondContact CE-O 3.49Å; K286-Y309 HydrophobicContact CB-CD1 3.65Å; K286-Y309 HydrophobicContact CB-CD2 4.25Å; K286-Y309 HydrophobicContact CB-CE1 3.71Å; K286-Y309 HydrophobicContact CB-CE2 4.26Å; K286-Y309 HydrophobicContact CB-CG 3.95Å; K286-Y309 HydrophobicContact CD-CD1 4.01Å; K286-Y309 HydrophobicContact CG-CD1 3.71Å; K286-Y309 HydrophobicContact CG-CE1 4.29Å; K286-Y309 HydrophobicContact CG-CG 3.88Å; K286-D310 VanDerWaalsContact CE-OD1 3.31Å; K286-D310 WeakPolarHBondContact CE-OD1 3.25Å; K286-D310 IonicContact NZ-OD1 2.71Å; K286-D310 PolarHBondContact NZ-OD1 3.13Å; K286-D310 IonicContact NZ-OD2 2.9Å; K286-D310 PolarHBondContact NZ-OD2 3.37Å |
| 287 | R | 93.6 | Very high | 88.1 | Confident | 205 Ų | 205 | 73 Ų | 73 | 77% | 0.774 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -67.3 | -36.9 | 178.8 | -174.8 | 177.1 | 64 | 174.3 | -1 | 112.5 | S285 R291 | S285-R287 PolarHBondContact O-N 3.47Å; S285-R287 VanDerWaalsContact O-N 3.12Å; R287-R291 WeakPolarHBondContact O-CB 3.31Å; R287-R291 PolarHBondContact O-N 2.85Å; R287-R291 VanDerWaalsContact O-N 3.09Å |
| 288 | E | 92.4 | Very high | 87.5 | Confident | 73 Ų | 73 | 78.1 Ų | 78.1 | 34% | 0.341 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -73.1 | -40.9 | 176.3 | -69.7 | 162.1 | 128.2 | 0 | 0 | 111.2 | M284 S285 R291 N292 | M284-E288 HydrophobicContact CG-CB 3.96Å; S285-E288 VanDerWaalsContact CB-OE2 3.25Å; S285-E288 WeakPolarHBondContact CB-OE2 3.45Å; S285-E288 PolarHBondContact N-OE2 3.05Å; S285-E288 PolarHBondContact O-N 3.32Å; S285-E288 WeakPolarHBondContact OG-CG 3.43Å; S285-E288 PolarHBondContact OG-N 3.29Å; S285-E288 PolarHBondContact OG-OE2 3.44Å; E288-R291 PolarHBondContact O-N 3.35Å; E288-N292 VanDerWaalsContact O-CB 3.3Å; E288-N292 WeakPolarHBondContact O-CB 3.12Å; E288-N292 PolarHBondContact O-N 3.09Å; E288-N292 PolarHBondContact O-OD1 2.82Å; E288-N292 VanDerWaalsContact O-OD1 3.12Å |
| 289 | F | 93.6 | Very high | 87.1 | Confident | 2 Ų | 2 | 79.1 Ų | 79.1 | 1% | 0.009 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -59.5 | -46.8 | 173.7 | 179.7 | -101.4 | 0 | 0 | 0 | 112.1 | L271 M284 S285 K286 N292 T293 V305 L308 Y309 | L271-F289 HydrophobicContact CB-CD2 4Å; L271-F289 HydrophobicContact CB-CE2 3.81Å; L271-F289 HydrophobicContact CD1-CD2 4.06Å; L271-F289 HydrophobicContact CD1-CG 4.48Å; L271-F289 HydrophobicContact CD2-CD1 4.36Å; L271-F289 HydrophobicContact CD2-CD2 3.78Å; L271-F289 HydrophobicContact CD2-CE1 4.3Å; L271-F289 HydrophobicContact CD2-CE2 3.74Å; L271-F289 HydrophobicContact CD2-CG 4.09Å; L271-F289 HydrophobicContact CD2-CZ 4Å; L271-F289 HydrophobicContact CG-CD2 4.15Å; L271-F289 HydrophobicContact CG-CE2 4.26Å; M284-F289 HydrophobicContact CG-CB 4.3Å; M284-F289 HydrophobicContact SD-CB 3.83Å; M284-F289 HydrophobicContact SD-CD2 3.95Å; M284-F289 HydrophobicContact SD-CG 4.41Å; S285-F289 PolarHBondContact O-N 3.01Å; K286-F289 PolarHBondContact O-N 2.85Å; F289-N292 PolarHBondContact O-N 2.75Å; F289-T293 WeakPolarHBondContact CE2-OG1 3.31Å; F289-T293 WeakPolarHBondContact O-CB 3.48Å; F289-T293 PolarHBondContact O-N 3.43Å; F289-T293 PolarHBondContact O-OG1 3.44Å; F289-V305 HydrophobicContact CD1-CG1 3.74Å; F289-V305 HydrophobicContact CE1-CG1 3.53Å; F289-V305 WeakPolarHBondContact CE1-O 3.46Å; F289-V305 HydrophobicContact CZ-CG1 4.49Å; F289-L308 HydrophobicContact CE1-CB 4.22Å; F289-Y309 HydrophobicContact CB-CD2 3.69Å; F289-Y309 HydrophobicContact CB-CE2 4.31Å; F289-Y309 HydrophobicContact CD1-CD2 4.08Å; F289-Y309 HydrophobicContact CD1-CG 4.39Å; F289-Y309 AromaticContact CG-CD2 3.91Å; F289-Y309 HydrophobicContact CG-CD2 3.91Å |
| 290 | I | 93 | Very high | 87.2 | Confident | 25 Ų | 25 | 73.1 Ų | 73.1 | 13% | 0.128 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -59.8 | -50 | 176 | -68.3 | 164.7 | 0 | 0 | 0 | 110.7 | K286 N292 R294 E302 V305 | K286-I290 HydrophobicContact CG-CD1 3.94Å; K286-I290 VanDerWaalsContact O-CG1 3.25Å; K286-I290 WeakPolarHBondContact O-CG1 3.45Å; K286-I290 PolarHBondContact O-N 3.46Å; I290-N292 PolarHBondContact O-N 2.89Å; I290-R294 WeakPolarHBondContact O-CB 3.1Å; I290-R294 WeakPolarHBondContact O-CG 3.45Å; I290-R294 PolarHBondContact O-N 3.11Å; I290-E302 HydrophobicContact CG2-CB 4.06Å; I290-E302 HydrophobicContact CG2-CG 3.75Å; I290-V305 HydrophobicContact CB-CG1 4.32Å; I290-V305 HydrophobicContact CG1-CB 4.22Å; I290-V305 HydrophobicContact CG1-CG1 3.94Å |
| 291 | R | 90.9 | Very high | 87.3 | Confident | 123 Ų | 123 | 73.8 Ų | 73.8 | 46% | 0.464 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -59.3 | -45.7 | 179.5 | -177.3 | -164.3 | 66 | -161.5 | -8 | 112.3 | R287 E288 R295 | R287-R291 WeakPolarHBondContact O-CB 3.31Å; R287-R291 PolarHBondContact O-N 2.85Å; R287-R291 VanDerWaalsContact O-N 3.09Å; E288-R291 PolarHBondContact O-N 3.35Å; R291-R295 WeakPolarHBondContact O-CG 3.33Å; R291-R295 PolarHBondContact O-N 2.91Å |
| 292 | N | 90.6 | Very high | 87.5 | Confident | 16 Ų | 16 | 69.5 Ų | 69.5 | 9% | 0.086 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -71 | -46.4 | -177.2 | -68.4 | 14.9 | 0 | 0 | 0 | 110.5 | E288 F289 I290 R294 R295 A296 | E288-N292 VanDerWaalsContact O-CB 3.3Å; E288-N292 WeakPolarHBondContact O-CB 3.12Å; E288-N292 PolarHBondContact O-N 3.09Å; E288-N292 PolarHBondContact O-OD1 2.82Å; E288-N292 VanDerWaalsContact O-OD1 3.12Å; F289-N292 PolarHBondContact O-N 2.75Å; I290-N292 PolarHBondContact O-N 2.89Å; N292-R294 PolarHBondContact O-N 2.93Å; N292-R295 WeakPolarHBondContact O-CB 3.4Å; N292-R295 PolarHBondContact O-N 3.12Å; N292-R295 VanDerWaalsContact O-N 3.16Å; N292-A296 PolarHBondContact O-N 2.94Å |
| 293 | T | 89.4 | Confident | 87.7 | Confident | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -66 | -37 | -178 | -53.6 | 0 | 0 | 0 | 0 | 112.3 | L264 F289 R295 A296 A297 V305 | L264-T293 HydrophobicContact CD2-CG2 3.46Å; L264-T293 VanDerWaalsContact CD2-CG2 3.46Å; F289-T293 WeakPolarHBondContact CE2-OG1 3.31Å; F289-T293 WeakPolarHBondContact O-CB 3.48Å; F289-T293 PolarHBondContact O-N 3.43Å; F289-T293 PolarHBondContact O-OG1 3.44Å; T293-R295 VanDerWaalsContact C-N 3.27Å; T293-R295 PolarHBondContact O-N 3.45Å; T293-A296 PolarHBondContact O-N 3.3Å; T293-A296 VanDerWaalsContact O-N 3.13Å; T293-A297 PolarHBondContact O-N 2.59Å; T293-V305 HydrophobicContact CG2-CG1 3.96Å; T293-V305 HydrophobicContact CG2-CG2 4.37Å |
| 294 | R | 88 | Confident | 87.7 | Confident | 91 Ų | 91 | 65.8 Ų | 65.8 | 34% | 0.343 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -72 | -15.5 | 175.9 | -70.3 | -170.7 | 69.9 | -124.2 | -13.3 | 114.6 | I290 N292 H298 V300 E302 V305 | I290-R294 WeakPolarHBondContact O-CB 3.1Å; I290-R294 WeakPolarHBondContact O-CG 3.45Å; I290-R294 PolarHBondContact O-N 3.11Å; N292-R294 PolarHBondContact O-N 2.93Å; R294-H298 PolarHBondContact O-ND1 2.97Å; R294-V300 PolarHBondContact NE-O 3.29Å; R294-E302 IonicContact CZ-OE1 2.68Å; R294-E302 IonicContact NH1-OE1 3.56Å; R294-E302 PolarHBondContact NH1-OE1 2.89Å; R294-V305 HydrophobicContact CG-CG2 4.32Å |
| 295 | R | 81.9 | Confident | 87.7 | Confident | 123 Ų | 123 | 64.7 Ų | 64.7 | 46% | 0.464 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -73.7 | -33.6 | 167 | -72.2 | 173.2 | 171.6 | -157.2 | -3.8 | 112 | E18 R291 N292 T293 H298 | E18-R295 IonicContact OE1-NH1 2.89Å; R291-R295 WeakPolarHBondContact O-CG 3.33Å; R291-R295 PolarHBondContact O-N 2.91Å; N292-R295 WeakPolarHBondContact O-CB 3.4Å; N292-R295 PolarHBondContact O-N 3.12Å; N292-R295 VanDerWaalsContact O-N 3.16Å; T293-R295 VanDerWaalsContact C-N 3.27Å; T293-R295 PolarHBondContact O-N 3.45Å; R295-H298 PolarHBondContact O-CE1 2.83Å; R295-H298 PolarHBondContact O-ND1 3.27Å |
| 296 | A | 78.7 | Confident | 87.7 | Confident | 8 Ų | 8 | 62.7 Ų | 62.7 | 7% | 0.066 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -89.3 | -28.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q17 A21 V263 N292 T293 | Q17-A296 HydrophobicContact CB-CB 4.43Å; Q17-A296 WeakPolarHBondContact O-CB 3.48Å; A21-A296 HydrophobicContact CB-CB 4.46Å; V263-A296 HydrophobicContact CG1-CB 3.38Å; N292-A296 PolarHBondContact O-N 2.94Å; T293-A296 PolarHBondContact O-N 3.3Å; T293-A296 VanDerWaalsContact O-N 3.13Å |
| 297 | A | 81.4 | Confident | 87.7 | Confident | 6 Ų | 6 | 64.3 Ų | 64.3 | 5% | 0.05 | 30% | 0.295 | C | S | . | . | trans | -127.8 | 84 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | V263 T293 N299 V300 | V263-A297 HydrophobicContact CG1-CB 4.09Å; T293-A297 PolarHBondContact O-N 2.59Å; A297-N299 VanDerWaalsContact C-N 3.31Å; A297-N299 PolarHBondContact O-N 2.92Å; A297-V300 HydrophobicContact CB-CG2 3.8Å; A297-V300 PolarHBondContact O-N 2.8Å | ||
| 298 | H | 72.1 | Confident | 87.7 | Confident | 126 Ų | 126 | 54.5 Ų | 54.5 | 58% | 0.583 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -32 | -171.2 | -62.2 | -31.1 | 0 | 0 | 0 | 115.1 | R294 R295 V300 | R294-H298 PolarHBondContact O-ND1 2.97Å; R295-H298 PolarHBondContact O-CE1 2.83Å; R295-H298 PolarHBondContact O-ND1 3.27Å; H298-V300 PolarHBondContact O-N 2.75Å |
| 299 | N | 75.8 | Confident | 87.8 | Confident | 128 Ų | 128 | 52.1 Ų | 52.1 | 68% | 0.684 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | 0.9 | -172.8 | -65.1 | -17.1 | 0 | 0 | 0 | 114.2 | A297 | A297-N299 VanDerWaalsContact C-N 3.31Å; A297-N299 PolarHBondContact O-N 2.92Å |
| 300 | V | 82.7 | Confident | 87.9 | Confident | 7 Ų | 7 | 54.3 Ų | 54.3 | 4% | 0.042 | 26% | 0.258 | C | S | . | . | trans | -101.2 | 137 | -170.4 | -163.8 | 0 | 0 | 0 | 0 | 111.9 | L256 L264 R294 A297 H298 F304 V305 | L256-V300 HydrophobicContact CD2-CG2 4.07Å; L264-V300 HydrophobicContact CD1-CG2 4.34Å; R294-V300 PolarHBondContact NE-O 3.29Å; A297-V300 HydrophobicContact CB-CG2 3.8Å; A297-V300 PolarHBondContact O-N 2.8Å; H298-V300 PolarHBondContact O-N 2.75Å; V300-F304 HydrophobicContact CG1-CB 4.36Å; V300-F304 HydrophobicContact CG1-CD1 3.48Å; V300-F304 VanDerWaalsContact CG1-CD1 3.48Å; V300-F304 HydrophobicContact CG1-CE1 4.16Å; V300-F304 HydrophobicContact CG1-CG 4.29Å; V300-V305 HydrophobicContact CB-CG2 4.13Å; V300-V305 HydrophobicContact CG1-CG2 3.6Å | ||
| 301 | S | 86.9 | Confident | 88 | Confident | 55 Ų | 55 | 54.1 Ų | 54.1 | 39% | 0.385 | 26% | 0.257 | S | S | . | . | trans | -73.8 | 150.9 | 179.8 | 64.5 | 0 | 0 | 0 | 0 | 113.3 | D303 F304 V305 | S301-D303 PolarHBondContact O-N 2.71Å; S301-F304 PolarHBondContact O-N 3.47Å; S301-F304 WeakPolarHBondContact OG-CB 3.45Å; S301-V305 WeakPolarHBondContact O-CG2 3.31Å; S301-V305 PolarHBondContact O-N 3.26Å; S301-V305 VanDerWaalsContact O-N 3.16Å | ||
| 302 | E | 89 | Confident | 88.2 | Confident | 105 Ų | 105 | 48.4 Ų | 48.4 | 49% | 0.491 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -63.9 | -38.3 | -179.2 | -71.3 | -169.1 | 170.8 | 0 | 0 | 112.8 | I290 R294 V305 G306 | I290-E302 HydrophobicContact CG2-CB 4.06Å; I290-E302 HydrophobicContact CG2-CG 3.75Å; R294-E302 IonicContact CZ-OE1 2.68Å; R294-E302 IonicContact NH1-OE1 3.56Å; R294-E302 PolarHBondContact NH1-OE1 2.89Å; E302-V305 PolarHBondContact O-N 3.15Å; E302-G306 PolarHBondContact O-N 3.47Å |
| 303 | D | 90.7 | Very high | 88.3 | Confident | 125 Ų | 125 | 54.9 Ų | 54.9 | 67% | 0.668 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -64.7 | -42.5 | 178.1 | -57.9 | -56.8 | 0 | 0 | 0 | 112 | S301 G306 H307 | S301-D303 PolarHBondContact O-N 2.71Å; D303-G306 CarbonylContact O-C 3.49Å; D303-G306 WeakPolarHBondContact O-CA 3.45Å; D303-G306 PolarHBondContact O-N 3.32Å; D303-H307 PolarHBondContact O-CD2 2.98Å; D303-H307 VanDerWaalsContact O-CG 3.31Å; D303-H307 PolarHBondContact O-N 2.85Å |
| 304 | F | 90.3 | Very high | 88.4 | Confident | 22 Ų | 22 | 61.4 Ų | 61.4 | 10% | 0.096 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.5 | -47.2 | 177.3 | -177.6 | -93.6 | 0 | 0 | 0 | 111.2 | F210 L254 L256 L264 V300 S301 G306 H307 L308 | F210-F304 HydrophobicContact CE2-CD2 4.28Å; F210-F304 AromaticContact CE2-CE2 3.79Å; F210-F304 HydrophobicContact CE2-CE2 3.79Å; F210-F304 HydrophobicContact CE2-CZ 4.25Å; L254-F304 HydrophobicContact CD1-CD2 3.62Å; L254-F304 HydrophobicContact CD1-CE2 3.6Å; L254-F304 HydrophobicContact CD1-CG 4.36Å; L254-F304 HydrophobicContact CD1-CZ 4.32Å; L256-F304 HydrophobicContact CD1-CE1 4.3Å; L256-F304 HydrophobicContact CD1-CZ 3.95Å; L264-F304 HydrophobicContact CD1-CE1 4.07Å; V300-F304 HydrophobicContact CG1-CB 4.36Å; V300-F304 HydrophobicContact CG1-CD1 3.48Å; V300-F304 VanDerWaalsContact CG1-CD1 3.48Å; V300-F304 HydrophobicContact CG1-CE1 4.16Å; V300-F304 HydrophobicContact CG1-CG 4.29Å; S301-F304 PolarHBondContact O-N 3.47Å; S301-F304 WeakPolarHBondContact OG-CB 3.45Å; F304-G306 PolarHBondContact O-N 3.22Å; F304-H307 PolarHBondContact O-N 3.25Å; F304-H307 VanDerWaalsContact O-N 3.17Å; F304-L308 HydrophobicContact CD1-CD1 4Å; F304-L308 HydrophobicContact CD1-CG 4.2Å; F304-L308 HydrophobicContact CE1-CD1 3.77Å; F304-L308 HydrophobicContact CE1-CD2 4.23Å; F304-L308 HydrophobicContact CE1-CG 4.05Å; F304-L308 HydrophobicContact CZ-CD2 4.42Å; F304-L308 WeakPolarHBondContact O-CG 3.41Å; F304-L308 PolarHBondContact O-N 3.06Å |
| 305 | V | 92.1 | Very high | 88.5 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.9 | -31 | 175.1 | -176.5 | 0 | 0 | 0 | 0 | 111.4 | F289 I290 T293 R294 V300 S301 E302 L308 Y309 | F289-V305 HydrophobicContact CD1-CG1 3.74Å; F289-V305 HydrophobicContact CE1-CG1 3.53Å; F289-V305 WeakPolarHBondContact CE1-O 3.46Å; F289-V305 HydrophobicContact CZ-CG1 4.49Å; I290-V305 HydrophobicContact CB-CG1 4.32Å; I290-V305 HydrophobicContact CG1-CB 4.22Å; I290-V305 HydrophobicContact CG1-CG1 3.94Å; T293-V305 HydrophobicContact CG2-CG1 3.96Å; T293-V305 HydrophobicContact CG2-CG2 4.37Å; R294-V305 HydrophobicContact CG-CG2 4.32Å; V300-V305 HydrophobicContact CB-CG2 4.13Å; V300-V305 HydrophobicContact CG1-CG2 3.6Å; S301-V305 WeakPolarHBondContact O-CG2 3.31Å; S301-V305 PolarHBondContact O-N 3.26Å; S301-V305 VanDerWaalsContact O-N 3.16Å; E302-V305 PolarHBondContact O-N 3.15Å; V305-L308 WeakPolarHBondContact O-CB 3.21Å; V305-L308 PolarHBondContact O-N 2.95Å; V305-Y309 PolarHBondContact O-N 3.08Å; V305-Y309 VanDerWaalsContact O-N 3.11Å |
| 306 | G | 93.9 | Very high | 88.6 | Confident | 3 Ų | 3 | 57.3 Ų | 57.3 | 3% | 0.031 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.4 | -47 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | K286 E302 D303 F304 L308 Y309 D310 | K286-G306 VanDerWaalsContact CE-O 3.27Å; K286-G306 WeakPolarHBondContact CE-O 3.49Å; E302-G306 PolarHBondContact O-N 3.47Å; D303-G306 CarbonylContact O-C 3.49Å; D303-G306 WeakPolarHBondContact O-CA 3.45Å; D303-G306 PolarHBondContact O-N 3.32Å; F304-G306 PolarHBondContact O-N 3.22Å; G306-L308 VanDerWaalsContact C-N 3.34Å; G306-L308 PolarHBondContact O-N 2.99Å; G306-Y309 WeakPolarHBondContact O-CB 3.19Å; G306-Y309 PolarHBondContact O-N 3.28Å; G306-D310 PolarHBondContact O-N 3.37Å |
| 307 | H | 94.1 | Very high | 88.6 | Confident | 107 Ų | 107 | 59.5 Ų | 59.5 | 50% | 0.495 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -67.6 | -32.1 | 176.6 | -64.8 | -37.9 | 0 | 0 | 0 | 112.9 | F210 D303 F304 D310 N311 | F210-H307 HydrophobicContact CZ-CB 3.9Å; D303-H307 PolarHBondContact O-CD2 2.98Å; D303-H307 VanDerWaalsContact O-CG 3.31Å; D303-H307 PolarHBondContact O-N 2.85Å; F304-H307 PolarHBondContact O-N 3.25Å; F304-H307 VanDerWaalsContact O-N 3.17Å; H307-D310 IonicContact ND1-OD2 3.94Å; H307-D310 PolarHBondContact O-N 3.02Å; H307-N311 WeakPolarHBondContact O-CB 3.43Å; H307-N311 PolarHBondContact O-N 3.18Å |
| 308 | L | 94.4 | Very high | 88.5 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -58.8 | -48.5 | 169.4 | -71.5 | -178.3 | 0 | 0 | 0 | 110.9 | F210 L211 P212 L264 L268 F289 F304 V305 G306 N311 I312 | F210-L308 HydrophobicContact CE1-CD2 4.02Å; F210-L308 HydrophobicContact CE2-CD2 4.14Å; F210-L308 HydrophobicContact CZ-CD2 3.61Å; F210-L308 HydrophobicContact CZ-CG 4.16Å; L211-L308 HydrophobicContact CB-CD2 4.19Å; L211-L308 HydrophobicContact CD2-CD2 4.36Å; P212-L308 HydrophobicContact CG-CD2 3.51Å; L264-L308 HydrophobicContact CD1-CD1 4.36Å; L264-L308 HydrophobicContact CD2-CD1 3.72Å; L264-L308 HydrophobicContact CG-CD1 4.45Å; L268-L308 HydrophobicContact CD1-CD2 4.39Å; L268-L308 HydrophobicContact CD2-CB 4.02Å; L268-L308 HydrophobicContact CD2-CD2 4.3Å; F289-L308 HydrophobicContact CE1-CB 4.22Å; F304-L308 HydrophobicContact CD1-CD1 4Å; F304-L308 HydrophobicContact CD1-CG 4.2Å; F304-L308 HydrophobicContact CE1-CD1 3.77Å; F304-L308 HydrophobicContact CE1-CD2 4.23Å; F304-L308 HydrophobicContact CE1-CG 4.05Å; F304-L308 HydrophobicContact CZ-CD2 4.42Å; F304-L308 WeakPolarHBondContact O-CG 3.41Å; F304-L308 PolarHBondContact O-N 3.06Å; V305-L308 WeakPolarHBondContact O-CB 3.21Å; V305-L308 PolarHBondContact O-N 2.95Å; G306-L308 VanDerWaalsContact C-N 3.34Å; G306-L308 PolarHBondContact O-N 2.99Å; L308-N311 PolarHBondContact O-N 3.07Å; L308-I312 PolarHBondContact O-N 3.41Å |
| 309 | Y | 95.3 | Very high | 88.3 | Confident | 23 Ų | 23 | 54.4 Ų | 54.4 | 9% | 0.09 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60 | -49.8 | 175.3 | 179.6 | -82.1 | 0 | 0 | 0 | 112.1 | L271 M284 K286 F289 V305 G306 N311 I312 Y313 | L271-Y309 HydrophobicContact CD1-CD2 3.8Å; L271-Y309 HydrophobicContact CD1-CE2 3.72Å; L271-Y309 HydrophobicContact CD2-CD2 3.6Å; L271-Y309 HydrophobicContact CD2-CE2 4.29Å; L271-Y309 HydrophobicContact CD2-CG 4.2Å; L271-Y309 HydrophobicContact CG-CD2 4.35Å; M284-Y309 WeakPolarHBondContact O-CE2 3.32Å; M284-Y309 PolarHBondContact O-OH 3Å; K286-Y309 HydrophobicContact CB-CD1 3.65Å; K286-Y309 HydrophobicContact CB-CD2 4.25Å; K286-Y309 HydrophobicContact CB-CE1 3.71Å; K286-Y309 HydrophobicContact CB-CE2 4.26Å; K286-Y309 HydrophobicContact CB-CG 3.95Å; K286-Y309 HydrophobicContact CD-CD1 4.01Å; K286-Y309 HydrophobicContact CG-CD1 3.71Å; K286-Y309 HydrophobicContact CG-CE1 4.29Å; K286-Y309 HydrophobicContact CG-CG 3.88Å; F289-Y309 HydrophobicContact CB-CD2 3.69Å; F289-Y309 HydrophobicContact CB-CE2 4.31Å; F289-Y309 HydrophobicContact CD1-CD2 4.08Å; F289-Y309 HydrophobicContact CD1-CG 4.39Å; F289-Y309 AromaticContact CG-CD2 3.91Å; F289-Y309 HydrophobicContact CG-CD2 3.91Å; V305-Y309 PolarHBondContact O-N 3.08Å; V305-Y309 VanDerWaalsContact O-N 3.11Å; G306-Y309 WeakPolarHBondContact O-CB 3.19Å; G306-Y309 PolarHBondContact O-N 3.28Å; Y309-N311 PolarHBondContact O-N 3.49Å; Y309-I312 PolarHBondContact O-N 3.31Å; Y309-I312 VanDerWaalsContact O-N 3.11Å; Y309-Y313 HydrophobicContact CE1-CD2 4.24Å; Y309-Y313 HydrophobicContact CE1-CG 4.21Å; Y309-Y313 WeakPolarHBondContact O-CB 3.35Å; Y309-Y313 PolarHBondContact O-N 2.83Å |
| 310 | D | 95.4 | Very high | 87.1 | Confident | 47 Ų | 47 | 54.9 Ų | 54.9 | 25% | 0.251 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -57.2 | -40.1 | -177.9 | -62.4 | -32.2 | 0 | 0 | 0 | 111.2 | K286 G306 H307 Y313 L314 | K286-D310 VanDerWaalsContact CE-OD1 3.31Å; K286-D310 WeakPolarHBondContact CE-OD1 3.25Å; K286-D310 IonicContact NZ-OD1 2.71Å; K286-D310 PolarHBondContact NZ-OD1 3.13Å; K286-D310 IonicContact NZ-OD2 2.9Å; K286-D310 PolarHBondContact NZ-OD2 3.37Å; G306-D310 PolarHBondContact O-N 3.37Å; H307-D310 IonicContact ND1-OD2 3.94Å; H307-D310 PolarHBondContact O-N 3.02Å; D310-Y313 PolarHBondContact O-N 3.15Å; D310-L314 VanDerWaalsContact O-CB 3.3Å; D310-L314 WeakPolarHBondContact O-CB 3.49Å; D310-L314 VanDerWaalsContact O-CG 3.23Å; D310-L314 WeakPolarHBondContact O-CG 3.38Å; D310-L314 PolarHBondContact O-N 2.76Å |
| 311 | N | 95.3 | Very high | 87.3 | Confident | 21 Ų | 21 | 57.3 Ų | 57.3 | 11% | 0.112 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -67.2 | -39.6 | 178 | -178.7 | -67.1 | 0 | 0 | 0 | 112.9 | F210 P212 N213 R216 H307 L308 Y309 I315 | F210-N311 HydrophobicContact CD1-CB 4.25Å; F210-N311 HydrophobicContact CE1-CB 3.89Å; P212-N311 WeakPolarHBondContact CB-OD1 3.43Å; P212-N311 HydrophobicContact CG-CB 4.33Å; N213-N311 PolarHBondContact OD1-ND2 3.47Å; N213-N311 PolarHBondContact OD1-OD1 2.91Å; R216-N311 PolarHBondContact NH1-OD1 3.15Å; R216-N311 PolarHBondContact NH2-O 2.9Å; R216-N311 PolarHBondContact NH2-OD1 2.84Å; H307-N311 WeakPolarHBondContact O-CB 3.43Å; H307-N311 PolarHBondContact O-N 3.18Å; L308-N311 PolarHBondContact O-N 3.07Å; Y309-N311 PolarHBondContact O-N 3.49Å; N311-I315 WeakPolarHBondContact O-CB 3.49Å; N311-I315 PolarHBondContact O-N 3.36Å |
| 312 | I | 93.9 | Very high | 87.4 | Confident | 3 Ų | 3 | 57.4 Ų | 57.4 | 2% | 0.015 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -68.1 | -41.2 | 173.6 | -57.4 | -46.3 | 0 | 0 | 0 | 110.9 | P212 L268 L271 L275 L308 Y309 L314 G316 V318 | P212-I312 HydrophobicContact CB-CD1 3.68Å; P212-I312 HydrophobicContact CG-CD1 4.42Å; L268-I312 HydrophobicContact CD2-CD1 3.87Å; L268-I312 HydrophobicContact CD2-CG1 3.6Å; L271-I312 HydrophobicContact CD2-CB 3.87Å; L271-I312 HydrophobicContact CD2-CG1 4.04Å; L271-I312 HydrophobicContact CD2-CG2 4.17Å; L271-I312 HydrophobicContact CG-CB 4.4Å; L271-I312 HydrophobicContact CG-CG2 4.14Å; L275-I312 HydrophobicContact CD1-CG2 4.03Å; L308-I312 PolarHBondContact O-N 3.41Å; Y309-I312 PolarHBondContact O-N 3.31Å; Y309-I312 VanDerWaalsContact O-N 3.11Å; I312-L314 PolarHBondContact O-N 3.04Å; I312-G316 VanDerWaalsContact O-CA 3.25Å; I312-G316 WeakPolarHBondContact O-CA 3.46Å; I312-G316 PolarHBondContact O-N 2.86Å; I312-V318 HydrophobicContact CD1-CG2 3.34Å; I312-V318 HydrophobicContact CG1-CG2 4.4Å |
| 313 | Y | 92.6 | Very high | 87.3 | Confident | 153 Ų | 153 | 54.7 Ų | 54.7 | 60% | 0.6 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -64.6 | -39.3 | 179.8 | -174.3 | -95.8 | 0 | 0 | 0 | 112.9 | L275 Y309 D310 | L275-Y313 HydrophobicContact CD1-CD2 4.29Å; Y309-Y313 HydrophobicContact CE1-CD2 4.24Å; Y309-Y313 HydrophobicContact CE1-CG 4.21Å; Y309-Y313 WeakPolarHBondContact O-CB 3.35Å; Y309-Y313 PolarHBondContact O-N 2.83Å; D310-Y313 PolarHBondContact O-N 3.15Å |
| 314 | L | 92.1 | Very high | 87.1 | Confident | 137 Ų | 137 | 50.6 Ų | 50.6 | 72% | 0.717 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -86.6 | -36.3 | -176.9 | -67.3 | 171 | 0 | 0 | 0 | 114.4 | D310 I312 | D310-L314 VanDerWaalsContact O-CB 3.3Å; D310-L314 WeakPolarHBondContact O-CB 3.49Å; D310-L314 VanDerWaalsContact O-CG 3.23Å; D310-L314 WeakPolarHBondContact O-CG 3.38Å; D310-L314 PolarHBondContact O-N 2.76Å; I312-L314 PolarHBondContact O-N 3.04Å |
| 315 | I | 89.9 | Confident | 86.9 | Confident | 103 Ų | 103 | 52.4 Ų | 52.4 | 53% | 0.528 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -98.8 | -20.9 | -176 | -56.4 | 179.3 | 0 | 0 | 0 | 111.8 | N311 | N311-I315 WeakPolarHBondContact O-CB 3.49Å; N311-I315 PolarHBondContact O-N 3.36Å |
| 316 | G | 83.1 | Confident | 86.5 | Confident | 24 Ų | 24 | 55.9 Ų | 55.9 | 25% | 0.247 | 31% | 0.311 | C | S | . | . | trans | 86.4 | -148.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114 | R216 I312 | R216-G316 PolarHBondContact NE-O 2.98Å; R216-G316 PolarHBondContact NH2-O 3.16Å; I312-G316 VanDerWaalsContact O-CA 3.25Å; I312-G316 WeakPolarHBondContact O-CA 3.46Å; I312-G316 PolarHBondContact O-N 2.86Å | ||
| 317 | H | 80.6 | Confident | 86 | Confident | 54 Ų | 54 | 59.6 Ų | 59.6 | 25% | 0.25 | 33% | 0.332 | C | S | . | . | trans | -59.2 | 151.8 | -159.8 | -147.1 | -119.5 | 0 | 0 | 0 | 114.9 | R216 S272 T276 A319 A320 | R216-H317 WeakPolarHBondContact CD-O 3.47Å; R216-H317 PolarHBondContact NE-O 3.35Å; S272-H317 PolarHBondContact O-CD2 3.28Å; T276-H317 HydrophobicContact CG2-CB 4.39Å; T276-H317 PolarHBondContact OG1-CD2 2.95Å; T276-H317 VanDerWaalsContact OG1-CD2 3.28Å; H317-A319 PolarHBondContact CE1-O 2.72Å; H317-A319 VanDerWaalsContact ND1-C 3.28Å; H317-A319 PolarHBondContact ND1-O 3.41Å; H317-A319 VanDerWaalsContact ND1-O 3.16Å; H317-A320 PolarHBondContact ND1-N 3.05Å | ||
| 318 | V | 79.3 | Confident | 85.4 | Confident | 6 Ų | 6 | 56 Ų | 56 | 4% | 0.036 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -98.9 | -43.8 | -180 | 175.2 | 0 | 0 | 0 | 0 | 112 | L215 F219 I269 I312 | L215-V318 HydrophobicContact CB-CG1 4.26Å; L215-V318 HydrophobicContact CD2-CG1 3.6Å; L215-V318 HydrophobicContact CG-CG1 3.63Å; F219-V318 HydrophobicContact CD2-CG1 4.14Å; F219-V318 HydrophobicContact CE2-CG1 4.27Å; I269-V318 HydrophobicContact CG1-CG1 4.13Å; I312-V318 HydrophobicContact CD1-CG2 3.34Å; I312-V318 HydrophobicContact CG1-CG2 4.4Å |
| 319 | A | 66.8 | Low | 84.6 | Confident | 20 Ų | 20 | 60.7 Ų | 60.7 | 17% | 0.165 | 35% | 0.346 | C | S | . | . | trans | -131.2 | 75.6 | -168.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | F219 A224 H317 | F219-A319 HydrophobicContact CD2-CB 3.9Å; F219-A319 HydrophobicContact CE2-CB 4.16Å; F219-A319 HydrophobicContact CG-CB 4.39Å; A224-A319 HydrophobicContact CB-CB 3.58Å; H317-A319 PolarHBondContact CE1-O 2.72Å; H317-A319 VanDerWaalsContact ND1-C 3.28Å; H317-A319 PolarHBondContact ND1-O 3.41Å; H317-A319 VanDerWaalsContact ND1-O 3.16Å | ||
| 320 | A | 51.1 | Low | 83.6 | Confident | 137 Ų | 137 | 64.1 Ų | 64.1 | 100% | 1.132 | 37% | 0.369 | S | S | * | . | trans | -80.9 | 0 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | H317 | H317-A320 PolarHBondContact ND1-N 3.05Š|
Retrieved 320 of 320 residues in 1117 ms
(Link to these results)