| 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 | 31.4 | Very low | 67.4 | Low | 237 Ų | 237 | 92.8 Ų | 92.8 | 100% | 1.167 | 49% | 0.491 | S | S | * | . | 0 | 64.5 | 0 | -69.6 | -179.7 | 176.1 | 0 | 0 | 107.5 | |||||
| 2 | S | 37.5 | Very low | 69.3 | Low | 103 Ų | 103 | 92.8 Ų | 92.8 | 72% | 0.72 | 49% | 0.486 | S | S | * | . | trans | -160.1 | 5.1 | -163.2 | 43.9 | 0 | 0 | 0 | 0 | 113.9 | G4 | S2-G4 VanDerWaalsContact C-N 3.28Å; S2-G4 PolarHBondContact O-N 2.64Å | ||
| 3 | E | 41 | Very low | 71 | Confident | 196 Ų | 196 | 91.8 Ų | 91.8 | 92% | 0.916 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | 58.8 | -171.7 | -63.5 | 159 | 136 | 0 | 0 | 110.6 | ||
| 4 | G | 48 | Very low | 72.5 | Confident | 71 Ų | 71 | 86.9 Ų | 86.9 | 73% | 0.732 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 178.9 | 32.2 | -173.4 | 0 | 0 | 0 | 0 | 0 | 117 | S2 | S2-G4 VanDerWaalsContact C-N 3.28Å; S2-G4 PolarHBondContact O-N 2.64Å |
| 5 | R | 60.9 | Low | 73.7 | Confident | 144 Ų | 144 | 81.7 Ų | 81.7 | 54% | 0.543 | 43% | 0.425 | S | S | . | . | trans | -126.8 | 140 | 169.4 | -70.8 | 177.8 | 174.9 | 174.5 | -11.6 | 109 | Q9 R10 E13 | R5-Q9 HydrophobicContact CB-CB 4.44Å; R5-R10 HydrophobicContact CB-CG 4.32Å; R5-E13 VanDerWaalsContact CZ-CD 3.44Å; R5-E13 IonicContact CZ-OE1 2.82Å; R5-E13 IonicContact CZ-OE2 2.73Å; R5-E13 VanDerWaalsContact CZ-OE2 3.26Å; R5-E13 IonicContact NE-OE1 3.61Å; R5-E13 PolarHBondContact NE-OE1 3.45Å; R5-E13 IonicContact NE-OE2 3.21Å; R5-E13 IonicContact NH1-OE1 3.3Å; R5-E13 PolarHBondContact NH1-OE1 2.89Å; R5-E13 IonicContact NH1-OE2 3.84Å; R5-E13 PolarHBondContact NH1-OE2 3.33Å; R5-E13 IonicContact NH2-OE1 3.19Å; R5-E13 PolarHBondContact NH2-OE1 2.58Å; R5-E13 IonicContact NH2-OE2 2.77Å | ||
| 6 | T | 81.1 | Confident | 74.7 | Confident | 67 Ų | 67 | 81.1 Ų | 81.1 | 41% | 0.411 | 43% | 0.43 | S | S | . | . | trans | -70.2 | 163.5 | 174 | 62.5 | 0 | 0 | 0 | 0 | 110.8 | I8 Q9 R10 | T6-I8 VanDerWaalsContact C-N 3.26Å; T6-I8 PolarHBondContact O-N 2.8Å; T6-Q9 VanDerWaalsContact N-OE1 3.11Å; T6-Q9 PolarHBondContact O-N 3.32Å; T6-Q9 VanDerWaalsContact OG1-CG 3.28Å; T6-Q9 WeakPolarHBondContact OG1-CG 3.22Å; T6-Q9 PolarHBondContact OG1-N 3.26Å; T6-R10 PolarHBondContact O-N 2.96Å; T6-R10 VanDerWaalsContact O-N 3.11Å | ||
| 7 | A | 85.6 | Confident | 75.7 | Confident | 8 Ų | 8 | 82.5 Ų | 82.5 | 7% | 0.066 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -66.6 | -35.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111 | R10 C11 L39 Q43 D68 I72 | A7-R10 WeakPolarHBondContact O-CB 3.01Å; A7-R10 PolarHBondContact O-N 2.97Å; A7-C11 PolarHBondContact O-N 3.42Å; A7-L39 HydrophobicContact CB-CD1 4.12Å; A7-Q43 HydrophobicContact CB-CG 3.87Å; A7-Q43 VanDerWaalsContact CB-NE2 3.3Å; A7-D68 HydrophobicContact CB-CB 4.34Å; A7-D68 VanDerWaalsContact CB-OD2 3.25Å; A7-D68 WeakPolarHBondContact CB-OD2 3.39Å; A7-D68 PolarHBondContact N-OD2 3Å; A7-I72 HydrophobicContact CB-CD1 3.64Å |
| 8 | I | 86.3 | Confident | 76.6 | Confident | 26 Ų | 26 | 78 Ų | 78 | 13% | 0.133 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -55.3 | -53.2 | 171.5 | -63.6 | 160.2 | 0 | 0 | 0 | 110.9 | T6 R10 C11 E12 D68 Q71 I72 L75 | T6-I8 VanDerWaalsContact C-N 3.26Å; T6-I8 PolarHBondContact O-N 2.8Å; I8-R10 VanDerWaalsContact C-N 3.28Å; I8-R10 PolarHBondContact O-N 3.09Å; I8-C11 WeakPolarHBondContact O-CA 3.21Å; I8-C11 VanDerWaalsContact O-CB 3.28Å; I8-C11 WeakPolarHBondContact O-CB 3.29Å; I8-C11 PolarHBondContact O-N 3.48Å; I8-E12 HydrophobicContact CG2-CG 4.48Å; I8-E12 WeakPolarHBondContact O-CG 3.36Å; I8-E12 PolarHBondContact O-N 2.96Å; I8-D68 WeakPolarHBondContact CD1-OD1 3.31Å; I8-Q71 HydrophobicContact CD1-CB 4.02Å; I8-Q71 HydrophobicContact CD1-CG 4.44Å; I8-Q71 VanDerWaalsContact CD1-OE1 3.3Å; I8-Q71 HydrophobicContact CG1-CB 4.13Å; I8-I72 HydrophobicContact CG1-CG1 4.24Å; I8-L75 HydrophobicContact CG2-CD1 3.8Å |
| 9 | Q | 87.6 | Confident | 77.3 | Confident | 84 Ų | 84 | 79.3 Ų | 79.3 | 39% | 0.393 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -59.3 | -37.2 | 177.6 | -74.3 | 167.3 | -5.3 | 0 | 0 | 112.7 | R5 T6 C11 E12 E13 | R5-Q9 HydrophobicContact CB-CB 4.44Å; T6-Q9 VanDerWaalsContact N-OE1 3.11Å; T6-Q9 PolarHBondContact O-N 3.32Å; T6-Q9 VanDerWaalsContact OG1-CG 3.28Å; T6-Q9 WeakPolarHBondContact OG1-CG 3.22Å; T6-Q9 PolarHBondContact OG1-N 3.26Å; Q9-C11 VanDerWaalsContact C-N 3.3Å; Q9-C11 PolarHBondContact O-N 2.77Å; Q9-E12 PolarHBondContact O-N 3.22Å; Q9-E13 WeakPolarHBondContact O-CB 3.36Å; Q9-E13 WeakPolarHBondContact O-CG 3.31Å; Q9-E13 PolarHBondContact O-N 2.74Å |
| 10 | R | 91.5 | Very high | 77.8 | Confident | 85 Ų | 85 | 80 Ų | 80 | 32% | 0.321 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -64.3 | -35.2 | 173.9 | -73 | 170.4 | 59.4 | -165.2 | -7.2 | 111.9 | R5 T6 A7 I8 L14 L39 E42 | R5-R10 HydrophobicContact CB-CG 4.32Å; T6-R10 PolarHBondContact O-N 2.96Å; T6-R10 VanDerWaalsContact O-N 3.11Å; A7-R10 WeakPolarHBondContact O-CB 3.01Å; A7-R10 PolarHBondContact O-N 2.97Å; I8-R10 VanDerWaalsContact C-N 3.28Å; I8-R10 PolarHBondContact O-N 3.09Å; R10-L14 VanDerWaalsContact O-CG 3.27Å; R10-L14 WeakPolarHBondContact O-CG 3.31Å; R10-L14 PolarHBondContact O-N 2.89Å; R10-L39 HydrophobicContact CB-CD1 4.1Å; R10-L39 HydrophobicContact CB-CD2 4.03Å; R10-E42 IonicContact CZ-OE1 2.65Å; R10-E42 IonicContact CZ-OE2 3.19Å; R10-E42 IonicContact NH1-OE1 3.71Å; R10-E42 PolarHBondContact NH1-OE1 2.79Å; R10-E42 IonicContact NH1-OE2 2.88Å; R10-E42 PolarHBondContact NH1-OE2 3.35Å; R10-E42 IonicContact NH2-OE2 3.83Å; R10-E42 PolarHBondContact NH2-OE2 3.45Å |
| 11 | C | 90.6 | Very high | 78.3 | Confident | 0 Ų | 0 | 79 Ų | 79 | 0% | 0 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -68.3 | -49.3 | 174 | -168.2 | 0 | 0 | 0 | 0 | 111.3 | A7 I8 Q9 E13 L14 I15 L39 I72 | A7-C11 PolarHBondContact O-N 3.42Å; I8-C11 WeakPolarHBondContact O-CA 3.21Å; I8-C11 VanDerWaalsContact O-CB 3.28Å; I8-C11 WeakPolarHBondContact O-CB 3.29Å; I8-C11 PolarHBondContact O-N 3.48Å; Q9-C11 VanDerWaalsContact C-N 3.3Å; Q9-C11 PolarHBondContact O-N 2.77Å; C11-E13 VanDerWaalsContact C-N 3.31Å; C11-E13 PolarHBondContact O-N 3.33Å; C11-L14 PolarHBondContact O-N 3.18Å; C11-I15 WeakPolarHBondContact O-CG1 3.46Å; C11-I15 PolarHBondContact O-N 3.49Å; C11-L39 HydrophobicContact CB-CD2 3.87Å; C11-I72 HydrophobicContact CB-CG1 4.07Å; C11-I72 HydrophobicContact CB-CG2 4.25Å |
| 12 | E | 90.3 | Very high | 80.8 | Confident | 92 Ų | 92 | 71.2 Ų | 71.2 | 43% | 0.43 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -57.5 | -41.2 | 178.2 | -66.4 | 173.7 | 142.4 | 0 | 0 | 112.4 | I8 Q9 S16 L75 | I8-E12 HydrophobicContact CG2-CG 4.48Å; I8-E12 WeakPolarHBondContact O-CG 3.36Å; I8-E12 PolarHBondContact O-N 2.96Å; Q9-E12 PolarHBondContact O-N 3.22Å; E12-S16 VanDerWaalsContact O-CB 3.24Å; E12-S16 WeakPolarHBondContact O-CB 3.38Å; E12-S16 PolarHBondContact O-N 3.14Å; E12-S16 PolarHBondContact O-OG 3.05Å; E12-L75 HydrophobicContact CG-CD1 4.49Å |
| 13 | E | 91.5 | Very high | 83 | Confident | 80 Ų | 80 | 72.1 Ų | 72.1 | 37% | 0.374 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -63.5 | -40.7 | 174.2 | -76 | -172.8 | 141.6 | 0 | 0 | 112.3 | R5 Q9 C11 R17 | R5-E13 VanDerWaalsContact CZ-CD 3.44Å; R5-E13 IonicContact CZ-OE1 2.82Å; R5-E13 IonicContact CZ-OE2 2.73Å; R5-E13 VanDerWaalsContact CZ-OE2 3.26Å; R5-E13 IonicContact NE-OE1 3.61Å; R5-E13 PolarHBondContact NE-OE1 3.45Å; R5-E13 IonicContact NE-OE2 3.21Å; R5-E13 IonicContact NH1-OE1 3.3Å; R5-E13 PolarHBondContact NH1-OE1 2.89Å; R5-E13 IonicContact NH1-OE2 3.84Å; R5-E13 PolarHBondContact NH1-OE2 3.33Å; R5-E13 IonicContact NH2-OE1 3.19Å; R5-E13 PolarHBondContact NH2-OE1 2.58Å; R5-E13 IonicContact NH2-OE2 2.77Å; Q9-E13 WeakPolarHBondContact O-CB 3.36Å; Q9-E13 WeakPolarHBondContact O-CG 3.31Å; Q9-E13 PolarHBondContact O-N 2.74Å; C11-E13 VanDerWaalsContact C-N 3.31Å; C11-E13 PolarHBondContact O-N 3.33Å; E13-R17 VanDerWaalsContact O-CB 3.23Å; E13-R17 WeakPolarHBondContact O-CB 3.47Å; E13-R17 PolarHBondContact O-N 2.91Å |
| 14 | L | 92.3 | Very high | 85 | Confident | 24 Ų | 24 | 65.4 Ų | 65.4 | 13% | 0.126 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -70 | -41.2 | 177.2 | -71.9 | 170.4 | 0 | 0 | 0 | 112.2 | R10 C11 R17 W18 N35 F36 L39 | R10-L14 VanDerWaalsContact O-CG 3.27Å; R10-L14 WeakPolarHBondContact O-CG 3.31Å; R10-L14 PolarHBondContact O-N 2.89Å; C11-L14 PolarHBondContact O-N 3.18Å; L14-R17 PolarHBondContact O-N 3.04Å; L14-W18 PolarHBondContact O-N 2.96Å; L14-N35 HydrophobicContact CD1-CB 4.02Å; L14-N35 HydrophobicContact CD2-CB 3.69Å; L14-F36 HydrophobicContact CB-CD1 3.91Å; L14-F36 HydrophobicContact CB-CE1 3.38Å; L14-F36 HydrophobicContact CB-CE2 4.09Å; L14-F36 HydrophobicContact CB-CG 4.45Å; L14-F36 HydrophobicContact CB-CZ 3.5Å; L14-F36 VanDerWaalsContact CB-CZ 3.5Å; L14-F36 HydrophobicContact CD1-CD1 3.76Å; L14-F36 HydrophobicContact CD1-CE1 4.1Å; L14-F36 HydrophobicContact CD1-CG 4.19Å; L14-F36 HydrophobicContact CG-CD1 4.49Å; L14-F36 HydrophobicContact CG-CE1 4.39Å; L14-L39 HydrophobicContact CD1-CD2 4.25Å |
| 15 | I | 90.5 | Very high | 86.5 | Confident | 9 Ų | 9 | 68.5 Ų | 68.5 | 5% | 0.046 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62.3 | -46.7 | 174.1 | -66.6 | 172.7 | 0 | 0 | 0 | 109.9 | C11 R17 W18 K19 F36 L76 | C11-I15 WeakPolarHBondContact O-CG1 3.46Å; C11-I15 PolarHBondContact O-N 3.49Å; I15-R17 VanDerWaalsContact C-N 3.33Å; I15-R17 PolarHBondContact O-N 3.25Å; I15-W18 PolarHBondContact O-N 2.96Å; I15-K19 HydrophobicContact CG2-CD 4.24Å; I15-K19 HydrophobicContact CG2-CG 4.41Å; I15-K19 WeakPolarHBondContact O-CG 3.48Å; I15-K19 PolarHBondContact O-N 3.13Å; I15-F36 HydrophobicContact CB-CZ 4.45Å; I15-F36 HydrophobicContact CG1-CE1 3.95Å; I15-F36 HydrophobicContact CG1-CZ 3.66Å; I15-L76 HydrophobicContact CD1-CD2 4.03Å; I15-L76 HydrophobicContact CG1-CD2 4.19Å |
| 16 | S | 89.9 | Confident | 87.5 | Confident | 71 Ų | 71 | 67.7 Ų | 67.7 | 50% | 0.497 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -63.3 | -39.2 | 178.6 | -60.4 | 0 | 0 | 0 | 0 | 112.2 | E12 K19 S20 | E12-S16 VanDerWaalsContact O-CB 3.24Å; E12-S16 WeakPolarHBondContact O-CB 3.38Å; E12-S16 PolarHBondContact O-N 3.14Å; E12-S16 PolarHBondContact O-OG 3.05Å; S16-K19 PolarHBondContact O-N 2.84Å; S16-S20 PolarHBondContact O-N 3.23Å; S16-S20 VanDerWaalsContact O-N 3.11Å; S16-S20 PolarHBondContact O-OG 3.44Å |
| 17 | R | 90.9 | Very high | 87.8 | Confident | 105 Ų | 105 | 66.2 Ų | 66.2 | 40% | 0.396 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -64.7 | -42.3 | 173.8 | -172.3 | 172.4 | -179.7 | -135.4 | -28.6 | 111.8 | E13 L14 I15 S20 E21 L32 | E13-R17 VanDerWaalsContact O-CB 3.23Å; E13-R17 WeakPolarHBondContact O-CB 3.47Å; E13-R17 PolarHBondContact O-N 2.91Å; L14-R17 PolarHBondContact O-N 3.04Å; I15-R17 VanDerWaalsContact C-N 3.33Å; I15-R17 PolarHBondContact O-N 3.25Å; R17-S20 PolarHBondContact O-N 3.48Å; R17-S20 PolarHBondContact O-OG 3.44Å; R17-S20 VanDerWaalsContact O-OG 3.05Å; R17-E21 HydrophobicContact CG-CG 4.35Å; R17-E21 WeakPolarHBondContact CG-OE1 3.26Å; R17-E21 IonicContact CZ-OE1 3.1Å; R17-E21 IonicContact CZ-OE2 3.22Å; R17-E21 IonicContact NE-OE1 2.68Å; R17-E21 PolarHBondContact NE-OE1 2.75Å; R17-E21 IonicContact NE-OE2 3.14Å; R17-E21 PolarHBondContact NE-OE2 3.45Å; R17-E21 IonicContact NH2-OE1 2.73Å; R17-E21 PolarHBondContact NH2-OE1 3.3Å; R17-E21 VanDerWaalsContact NH2-OE1 3.13Å; R17-E21 IonicContact NH2-OE2 3.09Å; R17-E21 PolarHBondContact NH2-OE2 3.3Å; R17-E21 WeakPolarHBondContact O-CB 3.31Å; R17-E21 WeakPolarHBondContact O-CG 3.43Å; R17-E21 PolarHBondContact O-N 3.12Å; R17-L32 HydrophobicContact CB-CD1 4.2Å; R17-L32 HydrophobicContact CG-CD1 4.06Å |
| 18 | W | 91.8 | Very high | 87.9 | Confident | 2 Ų | 2 | 70.1 Ų | 70.1 | 1% | 0.008 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -63.7 | -47.6 | 173.6 | 176.3 | 85.7 | 0 | 0 | 0 | 111.8 | L14 I15 S20 E21 R22 L32 A81 F82 R85 Y90 | L14-W18 PolarHBondContact O-N 2.96Å; I15-W18 PolarHBondContact O-N 2.96Å; W18-S20 PolarHBondContact O-N 3.41Å; W18-E21 PolarHBondContact O-N 2.96Å; W18-R22 HydrophobicContact CD2-CB 4.35Å; W18-R22 WeakPolarHBondContact O-CB 3.38Å; W18-R22 VanDerWaalsContact O-CG 3.27Å; W18-R22 WeakPolarHBondContact O-CG 3.29Å; W18-R22 PolarHBondContact O-N 2.78Å; W18-L32 HydrophobicContact CB-CD1 3.93Å; W18-L32 HydrophobicContact CB-CD2 3.95Å; W18-L32 HydrophobicContact CG-CD2 4.34Å; W18-A81 VanDerWaalsContact CH2-O 3.27Å; W18-A81 WeakPolarHBondContact CH2-O 3.45Å; W18-F82 AromaticContact CD2-CD2 3.69Å; W18-F82 HydrophobicContact CD2-CD2 3.69Å; W18-F82 HydrophobicContact CD2-CE2 4.28Å; W18-F82 AromaticContact CE2-CD2 3.66Å; W18-F82 AromaticContact CE3-CD2 3.99Å; W18-F82 HydrophobicContact CE3-CD2 3.99Å; W18-F82 HydrophobicContact CG-CD2 4.11Å; W18-F82 HydrophobicContact CG-CE2 4.22Å; W18-F82 HydrophobicContact CH2-CB 3.92Å; W18-F82 HydrophobicContact CH2-CD2 4.21Å; W18-F82 HydrophobicContact CZ2-CB 4.35Å; W18-F82 AromaticContact CZ2-CD2 3.93Å; W18-F82 HydrophobicContact CZ2-CD2 3.93Å; W18-F82 HydrophobicContact CZ3-CB 4.03Å; W18-F82 HydrophobicContact CZ3-CD2 4.25Å; W18-R85 HydrophobicContact CZ2-CB 4.2Å; W18-Y90 AromaticContact NE1-CE2 3.81Å; W18-Y90 AromaticContact NE1-CZ 3.84Å; W18-Y90 PolarHBondContact NE1-OH 2.65Å |
| 19 | K | 89.2 | Confident | 88.1 | Confident | 102 Ų | 102 | 69.5 Ų | 69.5 | 44% | 0.443 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -54.8 | -36.9 | 178.2 | -76.2 | -178.1 | -179 | -179.4 | 0 | 112.4 | I15 S16 H79 | I15-K19 HydrophobicContact CG2-CD 4.24Å; I15-K19 HydrophobicContact CG2-CG 4.41Å; I15-K19 WeakPolarHBondContact O-CG 3.48Å; I15-K19 PolarHBondContact O-N 3.13Å; S16-K19 PolarHBondContact O-N 2.84Å; K19-H79 WeakPolarHBondContact CE-CD2 3.2Å; K19-H79 WeakPolarHBondContact CE-NE2 3.22Å; K19-H79 PolarHBondContact NZ-CD2 2.9Å; K19-H79 PolarHBondContact NZ-NE2 3.09Å |
| 20 | S | 87.9 | Confident | 88.3 | Confident | 93 Ų | 93 | 66.4 Ų | 66.4 | 65% | 0.65 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -83.9 | -37.9 | 179.2 | 51.9 | 0 | 0 | 0 | 0 | 114.5 | S16 R17 W18 | S16-S20 PolarHBondContact O-N 3.23Å; S16-S20 VanDerWaalsContact O-N 3.11Å; S16-S20 PolarHBondContact O-OG 3.44Å; R17-S20 PolarHBondContact O-N 3.48Å; R17-S20 PolarHBondContact O-OG 3.44Å; R17-S20 VanDerWaalsContact O-OG 3.05Å; W18-S20 PolarHBondContact O-N 3.41Å |
| 21 | E | 88.6 | Confident | 88.4 | Confident | 61 Ų | 61 | 65.4 Ų | 65.4 | 29% | 0.285 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -86.7 | -25.3 | -177.4 | -65 | -179.4 | -164.6 | 0 | 0 | 113.8 | R17 W18 N23 S24 F27 | R17-E21 HydrophobicContact CG-CG 4.35Å; R17-E21 WeakPolarHBondContact CG-OE1 3.26Å; R17-E21 IonicContact CZ-OE1 3.1Å; R17-E21 IonicContact CZ-OE2 3.22Å; R17-E21 IonicContact NE-OE1 2.68Å; R17-E21 PolarHBondContact NE-OE1 2.75Å; R17-E21 IonicContact NE-OE2 3.14Å; R17-E21 PolarHBondContact NE-OE2 3.45Å; R17-E21 IonicContact NH2-OE1 2.73Å; R17-E21 PolarHBondContact NH2-OE1 3.3Å; R17-E21 VanDerWaalsContact NH2-OE1 3.13Å; R17-E21 IonicContact NH2-OE2 3.09Å; R17-E21 PolarHBondContact NH2-OE2 3.3Å; R17-E21 WeakPolarHBondContact O-CB 3.31Å; R17-E21 WeakPolarHBondContact O-CG 3.43Å; R17-E21 PolarHBondContact O-N 3.12Å; W18-E21 PolarHBondContact O-N 2.96Å; E21-N23 PolarHBondContact O-N 3.42Å; E21-S24 WeakPolarHBondContact O-CB 2.99Å; E21-S24 PolarHBondContact O-N 3.02Å; E21-F27 HydrophobicContact CB-CD2 3.41Å; E21-F27 VanDerWaalsContact CB-CD2 3.41Å; E21-F27 HydrophobicContact CB-CE2 3.56Å; E21-F27 HydrophobicContact CB-CG 4.03Å; E21-F27 HydrophobicContact CB-CZ 4.29Å; E21-F27 HydrophobicContact CG-CD2 4.43Å; E21-F27 VanDerWaalsContact O-CB 3.29Å; E21-F27 WeakPolarHBondContact O-CB 3.11Å; E21-F27 WeakPolarHBondContact O-CG 3.16Å; E21-F27 WeakPolarHBondContact OE2-CE2 3.43Å |
| 22 | R | 83.5 | Confident | 88.5 | Confident | 73 Ų | 73 | 65.5 Ų | 65.5 | 28% | 0.275 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -20 | -169 | 65 | -177.4 | -176.4 | 155.5 | 5.8 | 117.8 | W18 F27 R85 | W18-R22 HydrophobicContact CD2-CB 4.35Å; W18-R22 WeakPolarHBondContact O-CB 3.38Å; W18-R22 VanDerWaalsContact O-CG 3.27Å; W18-R22 WeakPolarHBondContact O-CG 3.29Å; W18-R22 PolarHBondContact O-N 2.78Å; R22-F27 HydrophobicContact CB-CE1 4.4Å; R22-R85 PolarHBondContact O-NH2 2.81Å |
| 23 | N | 83.2 | Confident | 88.6 | Confident | 121 Ų | 121 | 61.1 Ų | 61.1 | 65% | 0.647 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.5 | 1.2 | -179 | -71.4 | -12.4 | 0 | 0 | 0 | 113.4 | E21 | E21-N23 PolarHBondContact O-N 3.42Š|
| 24 | S | 84.2 | Confident | 88.7 | Confident | 55 Ų | 55 | 58.8 Ų | 58.8 | 39% | 0.385 | 33% | 0.327 | S | S | . | . | trans | -76.3 | 133 | 174 | 179.4 | 0 | 0 | 0 | 0 | 110.9 | E21 T26 F27 | E21-S24 WeakPolarHBondContact O-CB 2.99Å; E21-S24 PolarHBondContact O-N 3.02Å; S24-T26 PolarHBondContact O-N 2.91Å; S24-T26 PolarHBondContact OG-N 2.57Å; S24-T26 PolarHBondContact OG-OG1 2.88Å; S24-F27 WeakPolarHBondContact O-CB 3.45Å; S24-F27 PolarHBondContact O-N 3.41Å | ||
| 25 | P | 78.2 | Confident | 88.8 | Confident | 137 Ų | 137 | 60.9 Ų | 60.9 | 89% | 0.89 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -2.1 | 177.2 | 30.9 | -36.9 | 0 | 0 | 0 | 113.7 | ||
| 26 | T | 83.6 | Confident | 88.9 | Confident | 127 Ų | 127 | 60.5 Ų | 60.5 | 78% | 0.779 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115 | 15 | 173 | 70.5 | 0 | 0 | 0 | 0 | 112.7 | S24 D28 | S24-T26 PolarHBondContact O-N 2.91Å; S24-T26 PolarHBondContact OG-N 2.57Å; S24-T26 PolarHBondContact OG-OG1 2.88Å; T26-D28 PolarHBondContact O-N 3.04Å |
| 27 | F | 86.3 | Confident | 89.1 | Confident | 35 Ų | 35 | 57.1 Ų | 57.1 | 15% | 0.154 | 31% | 0.312 | C | S | . | . | trans | -79.4 | 116.7 | 176.9 | 176.6 | -123.5 | 0 | 0 | 0 | 110.9 | E21 R22 S24 P29 L32 | E21-F27 HydrophobicContact CB-CD2 3.41Å; E21-F27 VanDerWaalsContact CB-CD2 3.41Å; E21-F27 HydrophobicContact CB-CE2 3.56Å; E21-F27 HydrophobicContact CB-CG 4.03Å; E21-F27 HydrophobicContact CB-CZ 4.29Å; E21-F27 HydrophobicContact CG-CD2 4.43Å; E21-F27 VanDerWaalsContact O-CB 3.29Å; E21-F27 WeakPolarHBondContact O-CB 3.11Å; E21-F27 WeakPolarHBondContact O-CG 3.16Å; E21-F27 WeakPolarHBondContact OE2-CE2 3.43Å; R22-F27 HydrophobicContact CB-CE1 4.4Å; S24-F27 WeakPolarHBondContact O-CB 3.45Å; S24-F27 PolarHBondContact O-N 3.41Å; F27-P29 HydrophobicContact CD1-CB 4.4Å; F27-P29 HydrophobicContact CE1-CB 3.68Å; F27-P29 HydrophobicContact CE1-CG 4.48Å; F27-P29 HydrophobicContact CZ-CB 3.87Å; F27-L32 HydrophobicContact CE2-CD1 4.43Å; F27-L32 HydrophobicContact CZ-CD1 4.3Å | ||
| 28 | D | 88 | Confident | 89.2 | Confident | 90 Ų | 90 | 56.6 Ų | 56.6 | 48% | 0.481 | 31% | 0.314 | S | S | . | . | trans | -95.4 | 114.2 | 163.4 | 174.7 | 15.2 | 0 | 0 | 0 | 108.8 | T26 V30 P31 | T26-D28 PolarHBondContact O-N 3.04Å; D28-V30 VanDerWaalsContact C-N 3.33Å; D28-V30 VanDerWaalsContact OD1-CB 3.28Å; D28-V30 WeakPolarHBondContact OD1-CB 3.33Å; D28-V30 WeakPolarHBondContact OD1-CG2 3.26Å; D28-V30 PolarHBondContact OD1-N 2.76Å; D28-P31 WeakPolarHBondContact O-CD 3.34Å; D28-P31 WeakPolarHBondContact OD2-CD 3.41Å | ||
| 29 | P | 90.6 | Very high | 89.3 | Confident | 13 Ų | 13 | 56.6 Ų | 56.6 | 8% | 0.084 | 31% | 0.314 | C | S | . | . | trans | -76.3 | -15.4 | 177 | 32.2 | -36.3 | 0 | 0 | 0 | 113.5 | F27 L32 L33 Y90 L101 | F27-P29 HydrophobicContact CD1-CB 4.4Å; F27-P29 HydrophobicContact CE1-CB 3.68Å; F27-P29 HydrophobicContact CE1-CG 4.48Å; F27-P29 HydrophobicContact CZ-CB 3.87Å; P29-L32 WeakPolarHBondContact O-CA 3.5Å; P29-L32 WeakPolarHBondContact O-CB 3.14Å; P29-L32 PolarHBondContact O-N 2.85Å; P29-L33 HydrophobicContact CB-CD1 4.23Å; P29-L33 HydrophobicContact CB-CG 4.32Å; P29-L33 WeakPolarHBondContact O-CG 3.39Å; P29-L33 PolarHBondContact O-N 2.8Å; P29-Y90 HydrophobicContact CB-CE1 4.24Å; P29-Y90 HydrophobicContact CB-CE2 4.29Å; P29-Y90 HydrophobicContact CG-CD1 4.19Å; P29-Y90 HydrophobicContact CG-CE1 3.92Å; P29-L101 HydrophobicContact CG-CD1 3.54Å | ||
| 30 | V | 92.1 | Very high | 89.4 | Confident | 19 Ų | 19 | 51.8 Ų | 51.8 | 12% | 0.115 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -55.3 | -45.4 | -172.8 | 173.3 | 0 | 0 | 0 | 0 | 113.2 | D28 L32 N34 E100 L101 A104 | D28-V30 VanDerWaalsContact C-N 3.33Å; D28-V30 VanDerWaalsContact OD1-CB 3.28Å; D28-V30 WeakPolarHBondContact OD1-CB 3.33Å; D28-V30 WeakPolarHBondContact OD1-CG2 3.26Å; D28-V30 PolarHBondContact OD1-N 2.76Å; V30-L32 VanDerWaalsContact C-N 3.28Å; V30-L32 PolarHBondContact O-N 3.02Å; V30-N34 PolarHBondContact O-N 2.87Å; V30-N34 VanDerWaalsContact O-N 3.12Å; V30-N34 PolarHBondContact O-ND2 2.83Å; V30-E100 HydrophobicContact CG1-CB 4.31Å; V30-E100 HydrophobicContact CG2-CB 4.32Å; V30-L101 HydrophobicContact CG2-CB 4.22Å; V30-L101 HydrophobicContact CG2-CD1 4.2Å; V30-A104 HydrophobicContact CG1-CB 4.22Å |
| 31 | P | 92.8 | Very high | 89.6 | Confident | 65 Ų | 65 | 47.8 Ų | 47.8 | 42% | 0.422 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -65.2 | -32.2 | 176.8 | -21.5 | 34.3 | 0 | 0 | 0 | 112.8 | D28 N35 | D28-P31 WeakPolarHBondContact O-CD 3.34Å; D28-P31 WeakPolarHBondContact OD2-CD 3.41Å; P31-N35 PolarHBondContact O-N 2.86Å; P31-N35 VanDerWaalsContact O-N 3.09Å; P31-N35 PolarHBondContact O-ND2 3.4Å |
| 32 | L | 92.4 | Very high | 89.7 | Confident | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -77.8 | -40.9 | -177.6 | 179.9 | 146.1 | 0 | 0 | 0 | 111.7 | R17 W18 F27 P29 V30 N34 N35 F36 | R17-L32 HydrophobicContact CB-CD1 4.2Å; R17-L32 HydrophobicContact CG-CD1 4.06Å; W18-L32 HydrophobicContact CB-CD1 3.93Å; W18-L32 HydrophobicContact CB-CD2 3.95Å; W18-L32 HydrophobicContact CG-CD2 4.34Å; F27-L32 HydrophobicContact CE2-CD1 4.43Å; F27-L32 HydrophobicContact CZ-CD1 4.3Å; P29-L32 WeakPolarHBondContact O-CA 3.5Å; P29-L32 WeakPolarHBondContact O-CB 3.14Å; P29-L32 PolarHBondContact O-N 2.85Å; V30-L32 VanDerWaalsContact C-N 3.28Å; V30-L32 PolarHBondContact O-N 3.02Å; L32-N34 VanDerWaalsContact C-N 3.32Å; L32-N34 PolarHBondContact O-N 2.94Å; L32-N35 PolarHBondContact O-N 3.42Å; L32-F36 HydrophobicContact CD2-CD2 3.78Å; L32-F36 HydrophobicContact CD2-CE2 3.61Å; L32-F36 HydrophobicContact CG-CE2 4.44Å; L32-F36 PolarHBondContact O-N 2.74Å |
| 33 | L | 93.1 | Very high | 90 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.6 | -36.6 | 172.9 | -65.1 | 176.1 | 0 | 0 | 0 | 111.8 | P29 S37 F82 L86 Y90 L101 A104 A105 L108 | P29-L33 HydrophobicContact CB-CD1 4.23Å; P29-L33 HydrophobicContact CB-CG 4.32Å; P29-L33 WeakPolarHBondContact O-CG 3.39Å; P29-L33 PolarHBondContact O-N 2.8Å; L33-S37 WeakPolarHBondContact O-CB 3.3Å; L33-S37 PolarHBondContact O-N 3.36Å; L33-S37 PolarHBondContact O-OG 3.16Å; L33-F82 HydrophobicContact CD2-CZ 4.43Å; L33-L86 HydrophobicContact CD2-CD1 3.86Å; L33-Y90 HydrophobicContact CD1-CD2 3.93Å; L33-Y90 HydrophobicContact CD1-CG 4.28Å; L33-Y90 HydrophobicContact CD2-CD2 4.12Å; L33-Y90 HydrophobicContact CD2-CE2 4.39Å; L33-L101 HydrophobicContact CD1-CD1 4.04Å; L33-A104 HydrophobicContact CB-CB 3.93Å; L33-A104 HydrophobicContact CD1-CB 4.16Å; L33-A105 HydrophobicContact CD1-CB 4.5Å; L33-L108 HydrophobicContact CD2-CD2 3.66Å |
| 34 | N | 93.9 | Very high | 90.3 | Very high | 32 Ų | 32 | 40.2 Ų | 40.2 | 17% | 0.171 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -67.5 | -41.5 | 172.7 | -80.9 | -75.3 | 0 | 0 | 0 | 112.4 | V30 L32 F36 S37 E38 R107 | V30-N34 PolarHBondContact O-N 2.87Å; V30-N34 VanDerWaalsContact O-N 3.12Å; V30-N34 PolarHBondContact O-ND2 2.83Å; L32-N34 VanDerWaalsContact C-N 3.32Å; L32-N34 PolarHBondContact O-N 2.94Å; N34-F36 VanDerWaalsContact C-N 3.33Å; N34-F36 PolarHBondContact O-N 3.12Å; N34-S37 WeakPolarHBondContact O-CB 3.48Å; N34-S37 PolarHBondContact O-N 3.01Å; N34-S37 VanDerWaalsContact O-N 3.14Å; N34-E38 WeakPolarHBondContact O-CB 3.27Å; N34-E38 WeakPolarHBondContact O-CG 3.34Å; N34-E38 PolarHBondContact O-N 2.82Å; N34-R107 PolarHBondContact OD1-NH1 2.88Å |
| 35 | N | 93.8 | Very high | 90.5 | Very high | 67 Ų | 67 | 39.8 Ų | 39.8 | 36% | 0.358 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -60.5 | -39.9 | 174.8 | -69.2 | -33.1 | 0 | 0 | 0 | 112.6 | L14 P31 L32 L39 | L14-N35 HydrophobicContact CD1-CB 4.02Å; L14-N35 HydrophobicContact CD2-CB 3.69Å; P31-N35 PolarHBondContact O-N 2.86Å; P31-N35 VanDerWaalsContact O-N 3.09Å; P31-N35 PolarHBondContact O-ND2 3.4Å; L32-N35 PolarHBondContact O-N 3.42Å; N35-L39 WeakPolarHBondContact O-CB 3.36Å; N35-L39 PolarHBondContact O-N 3.49Å |
| 36 | F | 93.4 | Very high | 90.9 | Very high | 2 Ų | 2 | 37.3 Ų | 37.3 | 1% | 0.009 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.6 | -43.8 | 172.3 | -83.4 | -57.2 | 0 | 0 | 0 | 112 | L14 I15 L32 N34 E38 L39 L40 L76 F82 L108 | L14-F36 HydrophobicContact CB-CD1 3.91Å; L14-F36 HydrophobicContact CB-CE1 3.38Å; L14-F36 HydrophobicContact CB-CE2 4.09Å; L14-F36 HydrophobicContact CB-CG 4.45Å; L14-F36 HydrophobicContact CB-CZ 3.5Å; L14-F36 VanDerWaalsContact CB-CZ 3.5Å; L14-F36 HydrophobicContact CD1-CD1 3.76Å; L14-F36 HydrophobicContact CD1-CE1 4.1Å; L14-F36 HydrophobicContact CD1-CG 4.19Å; L14-F36 HydrophobicContact CG-CD1 4.49Å; L14-F36 HydrophobicContact CG-CE1 4.39Å; I15-F36 HydrophobicContact CB-CZ 4.45Å; I15-F36 HydrophobicContact CG1-CE1 3.95Å; I15-F36 HydrophobicContact CG1-CZ 3.66Å; L32-F36 HydrophobicContact CD2-CD2 3.78Å; L32-F36 HydrophobicContact CD2-CE2 3.61Å; L32-F36 HydrophobicContact CG-CE2 4.44Å; L32-F36 PolarHBondContact O-N 2.74Å; N34-F36 VanDerWaalsContact C-N 3.33Å; N34-F36 PolarHBondContact O-N 3.12Å; F36-E38 VanDerWaalsContact C-N 3.31Å; F36-E38 PolarHBondContact O-N 3.35Å; F36-L39 PolarHBondContact O-N 3.34Å; F36-L40 PolarHBondContact O-N 2.86Å; F36-L76 HydrophobicContact CD1-CD2 4.3Å; F36-L76 HydrophobicContact CE1-CD2 3.85Å; F36-L76 HydrophobicContact CZ-CD2 4.19Å; F36-F82 HydrophobicContact CD2-CE2 4.29Å; F36-F82 AromaticContact CD2-CZ 3.82Å; F36-F82 HydrophobicContact CD2-CZ 3.82Å; F36-F82 AromaticContact CE2-CE2 3.69Å; F36-F82 HydrophobicContact CE2-CE2 3.69Å; F36-F82 AromaticContact CE2-CZ 3.55Å; F36-F82 HydrophobicContact CE2-CZ 3.55Å; F36-F82 HydrophobicContact CZ-CE2 4.43Å; F36-F82 HydrophobicContact CZ-CZ 4.25Å; F36-L108 HydrophobicContact CB-CD1 3.67Å; F36-L108 HydrophobicContact CB-CD2 4.04Å; F36-L108 HydrophobicContact CD2-CD2 4.38Å |
| 37 | S | 93.3 | Very high | 91 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -61 | -42 | 178.2 | -55.6 | 0 | 0 | 0 | 0 | 111.3 | L33 N34 L40 E41 L108 | L33-S37 WeakPolarHBondContact O-CB 3.3Å; L33-S37 PolarHBondContact O-N 3.36Å; L33-S37 PolarHBondContact O-OG 3.16Å; N34-S37 WeakPolarHBondContact O-CB 3.48Å; N34-S37 PolarHBondContact O-N 3.01Å; N34-S37 VanDerWaalsContact O-N 3.14Å; S37-L40 PolarHBondContact O-N 3.37Å; S37-E41 VanDerWaalsContact O-CB 3.3Å; S37-E41 WeakPolarHBondContact O-CB 3.23Å; S37-E41 VanDerWaalsContact O-CG 3.25Å; S37-E41 WeakPolarHBondContact O-CG 3.5Å; S37-E41 PolarHBondContact O-N 3.43Å; S37-L108 WeakPolarHBondContact OG-CA 3.46Å; S37-L108 PolarHBondContact OG-N 2.7Å |
| 38 | E | 93.3 | Very high | 90.9 | Very high | 94 Ų | 94 | 31.5 Ų | 31.5 | 44% | 0.439 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -69.4 | -37.6 | 178.2 | -74.2 | 166.6 | -154.3 | 0 | 0 | 112.3 | N34 F36 E42 R107 | N34-E38 WeakPolarHBondContact O-CB 3.27Å; N34-E38 WeakPolarHBondContact O-CG 3.34Å; N34-E38 PolarHBondContact O-N 2.82Å; F36-E38 VanDerWaalsContact C-N 3.31Å; F36-E38 PolarHBondContact O-N 3.35Å; E38-E42 WeakPolarHBondContact O-CB 3.37Å; E38-E42 PolarHBondContact O-N 3.32Å; E38-R107 VanDerWaalsContact CG-NH2 3.32Å; E38-R107 IonicContact OE1-CZ 3.49Å; E38-R107 IonicContact OE1-NH1 3.12Å; E38-R107 PolarHBondContact OE1-NH1 3.11Å; E38-R107 VanDerWaalsContact OE1-NH1 3.09Å; E38-R107 IonicContact OE1-NH2 2.74Å |
| 39 | L | 93.1 | Very high | 90.7 | Very high | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64.3 | -44.6 | 172.4 | 179.9 | 64 | 0 | 0 | 0 | 111.8 | A7 R10 C11 L14 N35 F36 E42 Q43 | A7-L39 HydrophobicContact CB-CD1 4.12Å; R10-L39 HydrophobicContact CB-CD1 4.1Å; R10-L39 HydrophobicContact CB-CD2 4.03Å; C11-L39 HydrophobicContact CB-CD2 3.87Å; L14-L39 HydrophobicContact CD1-CD2 4.25Å; N35-L39 WeakPolarHBondContact O-CB 3.36Å; N35-L39 PolarHBondContact O-N 3.49Å; F36-L39 PolarHBondContact O-N 3.34Å; L39-E42 WeakPolarHBondContact O-CB 3.3Å; L39-E42 PolarHBondContact O-N 3.45Å; L39-Q43 HydrophobicContact CD1-CG 4.43Å; L39-Q43 WeakPolarHBondContact O-CG 3.45Å; L39-Q43 PolarHBondContact O-N 2.81Å |
| 40 | L | 91.6 | Very high | 90.2 | Very high | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -67.9 | -43.7 | 176.7 | -74.8 | 170.2 | 0 | 0 | 0 | 111.7 | F36 S37 E42 Q43 I44 L69 I72 L73 L76 L108 A111 M112 | F36-L40 PolarHBondContact O-N 2.86Å; S37-L40 PolarHBondContact O-N 3.37Å; L40-E42 VanDerWaalsContact C-N 3.31Å; L40-E42 PolarHBondContact O-N 3.26Å; L40-Q43 PolarHBondContact O-N 2.9Å; L40-I44 WeakPolarHBondContact O-CB 3.37Å; L40-I44 WeakPolarHBondContact O-CD1 3.2Å; L40-I44 WeakPolarHBondContact O-CG1 3.4Å; L40-I44 PolarHBondContact O-N 2.95Å; L40-L69 HydrophobicContact CD2-CD1 4.02Å; L40-I72 HydrophobicContact CD2-CG2 3.73Å; L40-L73 HydrophobicContact CD2-CD2 4.22Å; L40-L76 HydrophobicContact CD1-CD1 4.02Å; L40-L76 HydrophobicContact CD2-CD1 4.26Å; L40-L76 HydrophobicContact CG-CD1 4.44Å; L40-L108 HydrophobicContact CD1-CD1 3.66Å; L40-A111 HydrophobicContact CB-CB 3.8Å; L40-A111 HydrophobicContact CD1-CB 4.01Å; L40-M112 HydrophobicContact CD1-CG 3.53Å |
| 41 | E | 92.2 | Very high | 89.5 | Confident | 9 Ų | 9 | 35.7 Ų | 35.7 | 4% | 0.042 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -58.7 | -42.2 | 173.8 | -74.9 | 169.1 | -124.5 | 0 | 0 | 111.1 | S37 N45 R107 F209 I210 L211 | S37-E41 VanDerWaalsContact O-CB 3.3Å; S37-E41 WeakPolarHBondContact O-CB 3.23Å; S37-E41 VanDerWaalsContact O-CG 3.25Å; S37-E41 WeakPolarHBondContact O-CG 3.5Å; S37-E41 PolarHBondContact O-N 3.43Å; E41-N45 PolarHBondContact O-N 2.86Å; E41-N45 VanDerWaalsContact O-N 3.11Å; E41-N45 PolarHBondContact O-ND2 2.92Å; E41-R107 VanDerWaalsContact CD-NH2 3.28Å; E41-R107 IonicContact OE1-CZ 2.61Å; E41-R107 IonicContact OE1-NE 3.78Å; E41-R107 PolarHBondContact OE1-NE 3.49Å; E41-R107 IonicContact OE1-NH2 2.86Å; E41-R107 PolarHBondContact OE1-NH2 3.02Å; E41-R107 IonicContact OE2-NH2 3.67Å; E41-R107 PolarHBondContact OE2-NH2 2.72Å; E41-F209 HydrophobicContact CG-CD1 3.96Å; E41-F209 HydrophobicContact CG-CE1 4.06Å; E41-I210 WeakPolarHBondContact OE2-CA 3.23Å; E41-L211 PolarHBondContact OE2-N 3.28Å |
| 42 | E | 90.6 | Very high | 88.9 | Confident | 80 Ų | 80 | 33.7 Ų | 33.7 | 37% | 0.374 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -57.4 | -50.3 | 172.8 | -176.4 | -177.5 | 164.1 | 0 | 0 | 111.9 | R10 E38 L39 L40 N45 L46 | R10-E42 IonicContact CZ-OE1 2.65Å; R10-E42 IonicContact CZ-OE2 3.19Å; R10-E42 IonicContact NH1-OE1 3.71Å; R10-E42 PolarHBondContact NH1-OE1 2.79Å; R10-E42 IonicContact NH1-OE2 2.88Å; R10-E42 PolarHBondContact NH1-OE2 3.35Å; R10-E42 IonicContact NH2-OE2 3.83Å; R10-E42 PolarHBondContact NH2-OE2 3.45Å; E38-E42 WeakPolarHBondContact O-CB 3.37Å; E38-E42 PolarHBondContact O-N 3.32Å; L39-E42 WeakPolarHBondContact O-CB 3.3Å; L39-E42 PolarHBondContact O-N 3.45Å; L40-E42 VanDerWaalsContact C-N 3.31Å; L40-E42 PolarHBondContact O-N 3.26Å; E42-N45 PolarHBondContact O-N 2.82Å; E42-L46 WeakPolarHBondContact O-CG 3.43Å; E42-L46 PolarHBondContact O-N 2.7Å; E42-L46 VanDerWaalsContact O-N 3.16Å |
| 43 | Q | 90.7 | Very high | 88.3 | Confident | 15 Ų | 15 | 34.9 Ų | 34.9 | 7% | 0.07 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -73 | -29.7 | -178.4 | -63.7 | -52.4 | -52.5 | 0 | 0 | 114 | A7 L39 L40 L46 F47 L69 I72 | A7-Q43 HydrophobicContact CB-CG 3.87Å; A7-Q43 VanDerWaalsContact CB-NE2 3.3Å; L39-Q43 HydrophobicContact CD1-CG 4.43Å; L39-Q43 WeakPolarHBondContact O-CG 3.45Å; L39-Q43 PolarHBondContact O-N 2.81Å; L40-Q43 PolarHBondContact O-N 2.9Å; Q43-L46 PolarHBondContact O-N 2.76Å; Q43-F47 WeakPolarHBondContact O-CB 3.42Å; Q43-F47 PolarHBondContact O-N 2.83Å; Q43-L69 HydrophobicContact CB-CB 4.08Å; Q43-L69 HydrophobicContact CB-CD1 3.94Å; Q43-I72 HydrophobicContact CG-CD1 3.88Å |
| 44 | I | 88.8 | Confident | 87.8 | Confident | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -67.2 | -40.5 | 172.9 | -69 | 165 | 0 | 0 | 0 | 110.7 | L40 L46 F47 F48 L69 A111 L114 F209 | L40-I44 WeakPolarHBondContact O-CB 3.37Å; L40-I44 WeakPolarHBondContact O-CD1 3.2Å; L40-I44 WeakPolarHBondContact O-CG1 3.4Å; L40-I44 PolarHBondContact O-N 2.95Å; I44-L46 VanDerWaalsContact C-N 3.29Å; I44-L46 PolarHBondContact O-N 3.46Å; I44-F47 PolarHBondContact O-N 3.49Å; I44-F48 HydrophobicContact CG2-CD2 3.81Å; I44-F48 HydrophobicContact CG2-CE1 4.34Å; I44-F48 HydrophobicContact CG2-CE2 3.45Å; I44-F48 VanDerWaalsContact CG2-CE2 3.45Å; I44-F48 HydrophobicContact CG2-CG 4.39Å; I44-F48 HydrophobicContact CG2-CZ 3.76Å; I44-F48 VanDerWaalsContact O-CB 3.31Å; I44-F48 WeakPolarHBondContact O-CB 3.45Å; I44-F48 VanDerWaalsContact O-CG 3.23Å; I44-F48 WeakPolarHBondContact O-CG 3.39Å; I44-F48 PolarHBondContact O-N 3.32Å; I44-L69 HydrophobicContact CG1-CD1 3.83Å; I44-L69 HydrophobicContact CG1-CD2 3.94Å; I44-A111 HydrophobicContact CD1-CB 4.45Å; I44-A111 WeakPolarHBondContact CD1-O 3.23Å; I44-L114 HydrophobicContact CD1-CD1 4.26Å; I44-L114 HydrophobicContact CG1-CD1 4Å; I44-L114 HydrophobicContact CG2-CD1 4.16Å; I44-F209 HydrophobicContact CB-CD1 4.36Å; I44-F209 HydrophobicContact CD1-CD1 3.96Å; I44-F209 HydrophobicContact CD1-CE1 3.87Å; I44-F209 HydrophobicContact CG2-CB 3.73Å; I44-F209 HydrophobicContact CG2-CD1 3.97Å; I44-F209 HydrophobicContact CG2-CD2 4.48Å; I44-F209 HydrophobicContact CG2-CG 3.82Å |
| 45 | N | 88.2 | Confident | 87.3 | Confident | 47 Ų | 47 | 36.5 Ų | 36.5 | 25% | 0.251 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -68.2 | -29.9 | 174.6 | -71.5 | -73.7 | 0 | 0 | 0 | 112.2 | E41 E42 S49 S208 F209 | E41-N45 PolarHBondContact O-N 2.86Å; E41-N45 VanDerWaalsContact O-N 3.11Å; E41-N45 PolarHBondContact O-ND2 2.92Å; E42-N45 PolarHBondContact O-N 2.82Å; N45-S49 PolarHBondContact O-N 3.14Å; N45-S49 VanDerWaalsContact O-N 3.16Å; N45-S208 VanDerWaalsContact OD1-CA 3.3Å; N45-S208 WeakPolarHBondContact OD1-CA 3.46Å; N45-F209 PolarHBondContact ND2-O 3.28Å; N45-F209 PolarHBondContact OD1-N 2.8Å |
| 46 | L | 87 | Confident | 86.5 | Confident | 85 Ų | 85 | 34.9 Ų | 34.9 | 45% | 0.445 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -72.2 | -45.4 | 173 | -71.7 | 167.3 | 0 | 0 | 0 | 112.1 | E42 Q43 I44 F48 S49 | E42-L46 WeakPolarHBondContact O-CG 3.43Å; E42-L46 PolarHBondContact O-N 2.7Å; E42-L46 VanDerWaalsContact O-N 3.16Å; Q43-L46 PolarHBondContact O-N 2.76Å; I44-L46 VanDerWaalsContact C-N 3.29Å; I44-L46 PolarHBondContact O-N 3.46Å; L46-F48 VanDerWaalsContact C-N 3.33Å; L46-F48 PolarHBondContact O-N 2.9Å; L46-S49 WeakPolarHBondContact O-CA 3.38Å; L46-S49 WeakPolarHBondContact O-CB 3.28Å; L46-S49 PolarHBondContact O-N 3.06Å; L46-S49 PolarHBondContact O-OG 3.1Å |
| 47 | F | 85.7 | Confident | 85.5 | Confident | 17 Ų | 17 | 41.3 Ų | 41.3 | 8% | 0.075 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.5 | -41.7 | 172.5 | 179.1 | -118.2 | 0 | 0 | 0 | 111.7 | Q43 I44 S49 T50 P52 P60 T63 L69 | Q43-F47 WeakPolarHBondContact O-CB 3.42Å; Q43-F47 PolarHBondContact O-N 2.83Å; I44-F47 PolarHBondContact O-N 3.49Å; F47-S49 PolarHBondContact O-N 2.86Å; F47-S49 VanDerWaalsContact O-N 3.17Å; F47-T50 PolarHBondContact O-N 3.27Å; F47-T50 VanDerWaalsContact O-N 3.15Å; F47-T50 PolarHBondContact O-OG1 2.66Å; F47-P52 HydrophobicContact CD1-CG 4.18Å; F47-P52 HydrophobicContact CE1-CB 4.18Å; F47-P52 HydrophobicContact CE1-CG 3.85Å; F47-P52 HydrophobicContact CE2-CB 4.16Å; F47-P52 HydrophobicContact CE2-CG 4.28Å; F47-P52 HydrophobicContact CZ-CB 3.77Å; F47-P52 HydrophobicContact CZ-CG 3.91Å; F47-P52 WeakPolarHBondContact O-CD 3.49Å; F47-P60 HydrophobicContact CE1-CB 4.44Å; F47-P60 HydrophobicContact CE1-CG 4.2Å; F47-P60 HydrophobicContact CE2-CB 4.24Å; F47-P60 HydrophobicContact CZ-CB 4.09Å; F47-P60 HydrophobicContact CZ-CG 4.28Å; F47-T63 HydrophobicContact CZ-CG2 4.49Å; F47-L69 HydrophobicContact CB-CB 4.42Å; F47-L69 HydrophobicContact CB-CD2 3.61Å; F47-L69 HydrophobicContact CD1-CD2 3.79Å; F47-L69 HydrophobicContact CG-CD2 3.82Å |
| 48 | F | 85 | Confident | 84.6 | Confident | 22 Ų | 22 | 45.2 Ų | 45.2 | 10% | 0.096 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -68.2 | -9.3 | 172.1 | -68.3 | -13.4 | 0 | 0 | 0 | 114.2 | I44 L46 P52 L114 F209 R263 | I44-F48 HydrophobicContact CG2-CD2 3.81Å; I44-F48 HydrophobicContact CG2-CE1 4.34Å; I44-F48 HydrophobicContact CG2-CE2 3.45Å; I44-F48 VanDerWaalsContact CG2-CE2 3.45Å; I44-F48 HydrophobicContact CG2-CG 4.39Å; I44-F48 HydrophobicContact CG2-CZ 3.76Å; I44-F48 VanDerWaalsContact O-CB 3.31Å; I44-F48 WeakPolarHBondContact O-CB 3.45Å; I44-F48 VanDerWaalsContact O-CG 3.23Å; I44-F48 WeakPolarHBondContact O-CG 3.39Å; I44-F48 PolarHBondContact O-N 3.32Å; L46-F48 VanDerWaalsContact C-N 3.33Å; L46-F48 PolarHBondContact O-N 2.9Å; F48-P52 HydrophobicContact CD1-CG 4.42Å; F48-L114 HydrophobicContact CE1-CD1 4.43Å; F48-L114 HydrophobicContact CZ-CD1 4.3Å; F48-F209 HydrophobicContact CD2-CB 4.43Å; F48-F209 HydrophobicContact CE2-CB 4.08Å; F48-R263 VanDerWaalsContact CG-NH2 3.31Å |
| 49 | S | 82.4 | Confident | 84 | Confident | 60 Ų | 60 | 42.9 Ų | 42.9 | 42% | 0.42 | 23% | 0.225 | S | C | . | . | G | 310 helix | trans | -85.3 | -13.8 | 172.2 | 80.3 | 0 | 0 | 0 | 0 | 114 | N45 L46 F47 D51 | N45-S49 PolarHBondContact O-N 3.14Å; N45-S49 VanDerWaalsContact O-N 3.16Å; L46-S49 WeakPolarHBondContact O-CA 3.38Å; L46-S49 WeakPolarHBondContact O-CB 3.28Å; L46-S49 PolarHBondContact O-N 3.06Å; L46-S49 PolarHBondContact O-OG 3.1Å; F47-S49 PolarHBondContact O-N 2.86Å; F47-S49 VanDerWaalsContact O-N 3.17Å; S49-D51 VanDerWaalsContact C-N 3.3Å |
| 50 | T | 80.2 | Confident | 83.4 | Confident | 86 Ų | 86 | 43 Ų | 43 | 53% | 0.528 | 23% | 0.225 | S | C | . | . | G | 310 helix | trans | -92 | 15.5 | 173.7 | 70.8 | 0 | 0 | 0 | 0 | 113.2 | F47 P52 | F47-T50 PolarHBondContact O-N 3.27Å; F47-T50 VanDerWaalsContact O-N 3.15Å; F47-T50 PolarHBondContact O-OG1 2.66Å; T50-P52 VanDerWaalsContact C-CD 3.48Å |
| 51 | D | 78.3 | Confident | 82.8 | Confident | 64 Ų | 64 | 44.7 Ų | 44.7 | 34% | 0.342 | 23% | 0.234 | S | C | . | . | trans | 44.6 | 50.5 | 178.8 | -158.1 | 36 | 0 | 0 | 0 | 115.9 | S49 L206 H347 | S49-D51 VanDerWaalsContact C-N 3.3Å; D51-L206 HydrophobicContact CB-CD2 4.2Å; D51-L206 WeakPolarHBondContact OD1-CD2 3.34Å; D51-H347 PolarHBondContact O-CE1 3.38Å; D51-H347 IonicContact OD1-CE1 3.17Å; D51-H347 IonicContact OD1-NE2 2.97Å; D51-H347 IonicContact OD2-CE1 2.57Å; D51-H347 PolarHBondContact OD2-CE1 2.86Å; D51-H347 IonicContact OD2-NE2 3.46Å | ||
| 52 | P | 79.9 | Confident | 81.9 | Confident | 23 Ų | 23 | 51.5 Ų | 51.5 | 15% | 0.149 | 26% | 0.259 | C | S | . | . | trans | -61.5 | 151.2 | 178.1 | 28 | -35.7 | 0 | 0 | 0 | 111.4 | F47 F48 T50 P54 | F47-P52 HydrophobicContact CD1-CG 4.18Å; F47-P52 HydrophobicContact CE1-CB 4.18Å; F47-P52 HydrophobicContact CE1-CG 3.85Å; F47-P52 HydrophobicContact CE2-CB 4.16Å; F47-P52 HydrophobicContact CE2-CG 4.28Å; F47-P52 HydrophobicContact CZ-CB 3.77Å; F47-P52 HydrophobicContact CZ-CG 3.91Å; F47-P52 WeakPolarHBondContact O-CD 3.49Å; F48-P52 HydrophobicContact CD1-CG 4.42Å; T50-P52 VanDerWaalsContact C-CD 3.48Å; P52-P54 WeakPolarHBondContact O-CD 3.47Å; P52-P54 VanDerWaalsContact O-N 3.17Å | ||
| 53 | D | 81 | Confident | 80.9 | Confident | 27 Ų | 27 | 49.9 Ų | 49.9 | 14% | 0.144 | 26% | 0.255 | C | S | . | . | trans | -59.3 | 117.5 | 176.3 | -169.5 | -33.7 | 0 | 0 | 0 | 109.9 | F55 D56 H347 P348 S349 | D53-F55 PolarHBondContact O-N 2.8Å; D53-F55 VanDerWaalsContact O-N 3.14Å; D53-F55 PolarHBondContact OD1-N 2.87Å; D53-F55 VanDerWaalsContact OD1-N 3.1Å; D53-D56 HydrophobicContact CB-CB 4.05Å; D53-D56 WeakPolarHBondContact O-CB 3.34Å; D53-D56 PolarHBondContact O-N 2.82Å; D53-H347 HydrophobicContact CB-CB 4.24Å; D53-H347 WeakPolarHBondContact OD2-CB 3.4Å; D53-P348 VanDerWaalsContact OD2-CD 3.24Å; D53-P348 WeakPolarHBondContact OD2-CD 3.33Å; D53-S349 VanDerWaalsContact OD1-CB 3.32Å; D53-S349 WeakPolarHBondContact OD1-CB 3.49Å; D53-S349 PolarHBondContact OD1-OG 2.9Å; D53-S349 WeakPolarHBondContact OD2-CB 3.35Å; D53-S349 PolarHBondContact OD2-N 3.07Å; D53-S349 PolarHBondContact OD2-OG 2.98Å | ||
| 54 | P | 82.5 | Confident | 80 | Confident | 25 Ų | 25 | 51.8 Ų | 51.8 | 16% | 0.162 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78 | 3.9 | -171.7 | 34.9 | -39.3 | 0 | 0 | 0 | 113.7 | P52 F266 V302 T305 | P52-P54 WeakPolarHBondContact O-CD 3.47Å; P52-P54 VanDerWaalsContact O-N 3.17Å; P54-F266 HydrophobicContact CB-CE2 3.75Å; P54-F266 HydrophobicContact CB-CZ 3.74Å; P54-F266 HydrophobicContact CG-CE2 3.82Å; P54-F266 HydrophobicContact CG-CZ 4.27Å; P54-V302 HydrophobicContact CB-CG1 3.79Å; P54-V302 HydrophobicContact CG-CG1 3.93Å; P54-T305 HydrophobicContact CG-CG2 3.86Å; P54-T305 WeakPolarHBondContact CG-OG1 3.25Å |
| 55 | F | 81.6 | Confident | 79.2 | Confident | 41 Ų | 41 | 56.5 Ų | 56.5 | 18% | 0.18 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115.7 | 16.9 | 167 | -64.2 | -80.8 | 0 | 0 | 0 | 112 | D53 D57 F266 A306 V309 | D53-F55 PolarHBondContact O-N 2.8Å; D53-F55 VanDerWaalsContact O-N 3.14Å; D53-F55 PolarHBondContact OD1-N 2.87Å; D53-F55 VanDerWaalsContact OD1-N 3.1Å; F55-D57 PolarHBondContact O-N 2.87Å; F55-F266 HydrophobicContact CD2-CE2 4.47Å; F55-F266 HydrophobicContact CE1-CZ 4.25Å; F55-F266 AromaticContact CE2-CE2 3.71Å; F55-F266 HydrophobicContact CE2-CE2 3.71Å; F55-F266 HydrophobicContact CE2-CZ 4.17Å; F55-F266 AromaticContact CZ-CE2 3.72Å; F55-F266 HydrophobicContact CZ-CE2 3.72Å; F55-F266 AromaticContact CZ-CZ 3.92Å; F55-F266 HydrophobicContact CZ-CZ 3.92Å; F55-A306 HydrophobicContact CE2-CB 4.21Å; F55-A306 HydrophobicContact CZ-CB 3.83Å; F55-V309 HydrophobicContact CD2-CG2 4.43Å; F55-V309 HydrophobicContact CE1-CG2 3.97Å; F55-V309 HydrophobicContact CE2-CG2 3.8Å; F55-V309 HydrophobicContact CZ-CG2 3.54Å |
| 56 | D | 77.2 | Confident | 78.7 | Confident | 33 Ų | 33 | 58.1 Ų | 58.1 | 18% | 0.176 | 31% | 0.314 | C | S | . | . | trans | -89.9 | 88.8 | 167.5 | -173.3 | 14.8 | 0 | 0 | 0 | 109.8 | D53 R58 T63 | D53-D56 HydrophobicContact CB-CB 4.05Å; D53-D56 WeakPolarHBondContact O-CB 3.34Å; D53-D56 PolarHBondContact O-N 2.82Å; D56-R58 PolarHBondContact O-N 3.29Å; D56-R58 VanDerWaalsContact O-N 3.16Å; D56-R58 VanDerWaalsContact OD1-CB 3.29Å; D56-R58 WeakPolarHBondContact OD1-CB 3.32Å; D56-R58 WeakPolarHBondContact OD1-CG 3.02Å; D56-R58 IonicContact OD1-CZ 3.36Å; D56-R58 PolarHBondContact OD1-N 3.38Å; D56-R58 IonicContact OD1-NE 3.69Å; D56-R58 PolarHBondContact OD1-NE 3.37Å; D56-R58 IonicContact OD1-NH2 3.85Å; D56-R58 IonicContact OD2-CZ 3.62Å; D56-R58 IonicContact OD2-NE 2.71Å; D56-R58 PolarHBondContact OD2-NE 3.18Å; D56-R58 IonicContact OD2-NH2 3.94Å; D56-R58 PolarHBondContact OD2-NH2 3.1Å; D56-T63 WeakPolarHBondContact OD2-CB 3.46Å; D56-T63 VanDerWaalsContact OD2-CG2 3.27Å; D56-T63 WeakPolarHBondContact OD2-CG2 3.28Å; D56-T63 PolarHBondContact OD2-OG1 3.19Å | ||
| 57 | D | 72.7 | Confident | 78.5 | Confident | 136 Ų | 136 | 54.8 Ų | 54.8 | 73% | 0.727 | 30% | 0.298 | S | S | * | . | trans | -74.7 | 7.6 | 178.9 | -63.8 | -60.6 | 0 | 0 | 0 | 113.4 | F55 | F55-D57 PolarHBondContact O-N 2.87Š| ||
| 58 | R | 74.3 | Confident | 78.6 | Confident | 83 Ų | 83 | 56.4 Ų | 56.4 | 31% | 0.313 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -69.5 | 142.2 | 173.7 | -63.3 | 178.8 | -62.3 | 169.5 | 8.7 | 110.6 | D56 R62 | D56-R58 PolarHBondContact O-N 3.29Å; D56-R58 VanDerWaalsContact O-N 3.16Å; D56-R58 VanDerWaalsContact OD1-CB 3.29Å; D56-R58 WeakPolarHBondContact OD1-CB 3.32Å; D56-R58 WeakPolarHBondContact OD1-CG 3.02Å; D56-R58 IonicContact OD1-CZ 3.36Å; D56-R58 PolarHBondContact OD1-N 3.38Å; D56-R58 IonicContact OD1-NE 3.69Å; D56-R58 PolarHBondContact OD1-NE 3.37Å; D56-R58 IonicContact OD1-NH2 3.85Å; D56-R58 IonicContact OD2-CZ 3.62Å; D56-R58 IonicContact OD2-NE 2.71Å; D56-R58 PolarHBondContact OD2-NE 3.18Å; D56-R58 IonicContact OD2-NH2 3.94Å; D56-R58 PolarHBondContact OD2-NH2 3.1Å; R58-R62 HydrophobicContact CB-CB 4.08Å |
| 59 | H | 80 | Confident | 78.7 | Confident | 45 Ų | 45 | 55.4 Ų | 55.4 | 21% | 0.208 | 30% | 0.303 | C | S | . | . | trans | -50.1 | 134.9 | 172.6 | 179.6 | -72.6 | 0 | 0 | 0 | 111 | L61 R62 G70 G115 | H59-L61 VanDerWaalsContact C-N 3.28Å; H59-L61 PolarHBondContact ND1-N 3.41Å; H59-L61 PolarHBondContact O-N 3.13Å; H59-R62 WeakPolarHBondContact O-CB 3.43Å; H59-R62 PolarHBondContact O-N 3.19Å; H59-G70 PolarHBondContact CE1-O 3.24Å; H59-G115 WeakPolarHBondContact CD2-CA 3.32Å; H59-G115 PolarHBondContact CD2-O 3.23Å | ||
| 60 | P | 82.3 | Confident | 78.9 | Confident | 2 Ų | 2 | 52.5 Ų | 52.5 | 1% | 0.013 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -47.9 | -37.9 | -171 | -34.2 | 35.5 | 0 | 0 | 0 | 116.5 | F47 R62 T63 D64 L69 L73 L114 | F47-P60 HydrophobicContact CE1-CB 4.44Å; F47-P60 HydrophobicContact CE1-CG 4.2Å; F47-P60 HydrophobicContact CE2-CB 4.24Å; F47-P60 HydrophobicContact CZ-CB 4.09Å; F47-P60 HydrophobicContact CZ-CG 4.28Å; P60-R62 PolarHBondContact O-N 2.71Å; P60-T63 PolarHBondContact O-N 2.83Å; P60-D64 CarbonylContact O-C 3.57Å; P60-D64 PolarHBondContact O-N 3.48Å; P60-D64 VanDerWaalsContact O-O 3.11Å; P60-L69 HydrophobicContact CG-CD2 4.24Å; P60-L73 HydrophobicContact CG-CD1 4.01Å; P60-L114 WeakPolarHBondContact CD-O 3.29Å; P60-L114 HydrophobicContact CG-CB 4.46Å |
| 61 | L | 78.5 | Confident | 79.1 | Confident | 37 Ų | 37 | 51.8 Ų | 51.8 | 19% | 0.194 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -55.5 | -27.5 | 171.8 | -72.9 | 176.4 | 0 | 0 | 0 | 115.9 | H59 D64 S65 G70 Q71 R74 | H59-L61 VanDerWaalsContact C-N 3.28Å; H59-L61 PolarHBondContact ND1-N 3.41Å; H59-L61 PolarHBondContact O-N 3.13Å; L61-D64 WeakPolarHBondContact CA-O 3.24Å; L61-D64 CarbonylContact O-C 3.59Å; L61-S65 VanDerWaalsContact O-CA 3.31Å; L61-S65 WeakPolarHBondContact O-CA 3.23Å; L61-S65 PolarHBondContact O-N 3.07Å; L61-G70 WeakPolarHBondContact CD1-O 3.48Å; L61-G70 VanDerWaalsContact CG-C 3.43Å; L61-G70 WeakPolarHBondContact CG-O 3.34Å; L61-Q71 HydrophobicContact CD2-CG 3.83Å; L61-R74 HydrophobicContact CD1-CB 3.67Å; L61-R74 HydrophobicContact CD1-CG 4.23Å |
| 62 | R | 73.1 | Confident | 79.6 | Confident | 152 Ų | 152 | 48.8 Ų | 48.8 | 57% | 0.574 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -86.1 | -21.5 | 177.5 | -68.9 | -178.2 | 173 | -177.2 | -3.7 | 111.9 | R58 H59 P60 L399 | R58-R62 HydrophobicContact CB-CB 4.08Å; H59-R62 WeakPolarHBondContact O-CB 3.43Å; H59-R62 PolarHBondContact O-N 3.19Å; P60-R62 PolarHBondContact O-N 2.71Å; R62-L399 HydrophobicContact CB-CD2 4.13Å; R62-L399 HydrophobicContact CG-CD2 4.14Å |
| 63 | T | 70.1 | Confident | 80 | Confident | 47 Ų | 47 | 47.7 Ų | 47.7 | 29% | 0.288 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -86.2 | -43.9 | 173.7 | -54.2 | 0 | 0 | 0 | 0 | 111.1 | F47 D56 P60 | F47-T63 HydrophobicContact CZ-CG2 4.49Å; D56-T63 WeakPolarHBondContact OD2-CB 3.46Å; D56-T63 VanDerWaalsContact OD2-CG2 3.27Å; D56-T63 WeakPolarHBondContact OD2-CG2 3.28Å; D56-T63 PolarHBondContact OD2-OG1 3.19Å; P60-T63 PolarHBondContact O-N 2.83Å |
| 64 | D | 71.6 | Confident | 80.2 | Confident | 55 Ų | 55 | 54.7 Ų | 54.7 | 29% | 0.294 | 27% | 0.274 | S | S | . | . | trans | -142.7 | 110.2 | 171.7 | 169.8 | 20 | 0 | 0 | 0 | 109.7 | P60 L61 S66 C67 | P60-D64 CarbonylContact O-C 3.57Å; P60-D64 PolarHBondContact O-N 3.48Å; P60-D64 VanDerWaalsContact O-O 3.11Å; L61-D64 WeakPolarHBondContact CA-O 3.24Å; L61-D64 CarbonylContact O-C 3.59Å; D64-S66 VanDerWaalsContact CG-OG 3.31Å; D64-S66 PolarHBondContact O-N 2.95Å; D64-S66 WeakPolarHBondContact OD1-CA 3.49Å; D64-S66 WeakPolarHBondContact OD1-CB 3.49Å; D64-S66 PolarHBondContact OD1-N 2.98Å; D64-S66 PolarHBondContact OD1-OG 3.02Å; D64-S66 PolarHBondContact OD2-OG 2.92Å; D64-C67 HydrophobicContact CB-CB 4.13Å; D64-C67 WeakPolarHBondContact O-CB 3.42Å; D64-C67 PolarHBondContact O-N 3.48Å; D64-C67 WeakPolarHBondContact OD2-CB 3.31Å; D64-C67 PolarHBondContact OD2-N 2.8Å | ||
| 65 | S | 72.2 | Confident | 80.3 | Confident | 100 Ų | 100 | 55.8 Ų | 55.8 | 70% | 0.699 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -16.6 | 179.9 | 55.4 | 0 | 0 | 0 | 0 | 114 | L61 | L61-S65 VanDerWaalsContact O-CA 3.31Å; L61-S65 WeakPolarHBondContact O-CA 3.23Å; L61-S65 PolarHBondContact O-N 3.07Å |
| 66 | S | 76.4 | Confident | 80.5 | Confident | 80 Ų | 80 | 53.9 Ų | 53.9 | 56% | 0.559 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | -13.5 | 177.6 | 75.4 | 0 | 0 | 0 | 0 | 113.7 | D64 D68 Q71 | D64-S66 VanDerWaalsContact CG-OG 3.31Å; D64-S66 PolarHBondContact O-N 2.95Å; D64-S66 WeakPolarHBondContact OD1-CA 3.49Å; D64-S66 WeakPolarHBondContact OD1-CB 3.49Å; D64-S66 PolarHBondContact OD1-N 2.98Å; D64-S66 PolarHBondContact OD1-OG 3.02Å; D64-S66 PolarHBondContact OD2-OG 2.92Å; S66-D68 PolarHBondContact O-N 2.83Å; S66-Q71 PolarHBondContact O-NE2 3.25Å |
| 67 | C | 83.2 | Confident | 80.6 | Confident | 16 Ų | 16 | 54.2 Ų | 54.2 | 11% | 0.108 | 28% | 0.275 | C | S | . | . | trans | -66.3 | 121.1 | -168.4 | -168.8 | 0 | 0 | 0 | 0 | 114.2 | D64 L69 G70 Q71 | D64-C67 HydrophobicContact CB-CB 4.13Å; D64-C67 WeakPolarHBondContact O-CB 3.42Å; D64-C67 PolarHBondContact O-N 3.48Å; D64-C67 WeakPolarHBondContact OD2-CB 3.31Å; D64-C67 PolarHBondContact OD2-N 2.8Å; C67-L69 VanDerWaalsContact C-N 3.26Å; C67-L69 PolarHBondContact O-N 3.01Å; C67-G70 PolarHBondContact O-N 2.95Å; C67-Q71 PolarHBondContact O-N 3.41Å; C67-Q71 VanDerWaalsContact O-N 3.08Å | ||
| 68 | D | 87.1 | Confident | 81.1 | Confident | 50 Ų | 50 | 51.1 Ų | 51.1 | 27% | 0.267 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -52.2 | -40.5 | 174.3 | -99.3 | 27.7 | 0 | 0 | 0 | 112.1 | A7 I8 S66 G70 Q71 I72 | A7-D68 HydrophobicContact CB-CB 4.34Å; A7-D68 VanDerWaalsContact CB-OD2 3.25Å; A7-D68 WeakPolarHBondContact CB-OD2 3.39Å; A7-D68 PolarHBondContact N-OD2 3Å; I8-D68 WeakPolarHBondContact CD1-OD1 3.31Å; S66-D68 PolarHBondContact O-N 2.83Å; D68-G70 VanDerWaalsContact C-N 3.34Å; D68-G70 PolarHBondContact O-N 3.22Å; D68-Q71 PolarHBondContact O-N 2.9Å; D68-I72 WeakPolarHBondContact O-CB 3.35Å; D68-I72 WeakPolarHBondContact O-CD1 3.2Å; D68-I72 VanDerWaalsContact O-CG1 3.22Å; D68-I72 WeakPolarHBondContact O-CG1 3.47Å; D68-I72 PolarHBondContact O-N 3.07Å |
| 69 | L | 88.4 | Confident | 81.5 | Confident | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -58.9 | -45.5 | 176 | 176.8 | 63.6 | 0 | 0 | 0 | 111.5 | L40 Q43 I44 F47 P60 C67 I72 L73 L114 | L40-L69 HydrophobicContact CD2-CD1 4.02Å; Q43-L69 HydrophobicContact CB-CB 4.08Å; Q43-L69 HydrophobicContact CB-CD1 3.94Å; I44-L69 HydrophobicContact CG1-CD1 3.83Å; I44-L69 HydrophobicContact CG1-CD2 3.94Å; F47-L69 HydrophobicContact CB-CB 4.42Å; F47-L69 HydrophobicContact CB-CD2 3.61Å; F47-L69 HydrophobicContact CD1-CD2 3.79Å; F47-L69 HydrophobicContact CG-CD2 3.82Å; P60-L69 HydrophobicContact CG-CD2 4.24Å; C67-L69 VanDerWaalsContact C-N 3.26Å; C67-L69 PolarHBondContact O-N 3.01Å; L69-I72 PolarHBondContact O-N 3.27Å; L69-L73 HydrophobicContact CD1-CD1 3.97Å; L69-L73 HydrophobicContact CD1-CG 4.22Å; L69-L73 HydrophobicContact CG-CD1 3.85Å; L69-L73 HydrophobicContact CG-CG 4.49Å; L69-L73 WeakPolarHBondContact O-CB 3.31Å; L69-L73 VanDerWaalsContact O-CG 3.28Å; L69-L73 WeakPolarHBondContact O-CG 3.47Å; L69-L73 PolarHBondContact O-N 3.34Å; L69-L114 HydrophobicContact CD2-CD1 4.41Å |
| 70 | G | 85.4 | Confident | 81.6 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.2 | -42.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | H59 L61 C67 D68 L73 R74 | H59-G70 PolarHBondContact CE1-O 3.24Å; L61-G70 WeakPolarHBondContact CD1-O 3.48Å; L61-G70 VanDerWaalsContact CG-C 3.43Å; L61-G70 WeakPolarHBondContact CG-O 3.34Å; C67-G70 PolarHBondContact O-N 2.95Å; D68-G70 VanDerWaalsContact C-N 3.34Å; D68-G70 PolarHBondContact O-N 3.22Å; G70-L73 PolarHBondContact O-N 3.15Å; G70-R74 PolarHBondContact O-N 3.05Å |
| 71 | Q | 85.6 | Confident | 81.7 | Confident | 71 Ų | 71 | 54.7 Ų | 54.7 | 33% | 0.332 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -65 | -41.5 | 177.3 | -64.9 | -176.4 | 60.1 | 0 | 0 | 111.3 | I8 L61 S66 C67 D68 R74 L75 | I8-Q71 HydrophobicContact CD1-CB 4.02Å; I8-Q71 HydrophobicContact CD1-CG 4.44Å; I8-Q71 VanDerWaalsContact CD1-OE1 3.3Å; I8-Q71 HydrophobicContact CG1-CB 4.13Å; L61-Q71 HydrophobicContact CD2-CG 3.83Å; S66-Q71 PolarHBondContact O-NE2 3.25Å; C67-Q71 PolarHBondContact O-N 3.41Å; C67-Q71 VanDerWaalsContact O-N 3.08Å; D68-Q71 PolarHBondContact O-N 2.9Å; Q71-R74 PolarHBondContact O-N 3.47Å; Q71-L75 WeakPolarHBondContact O-CB 3.49Å; Q71-L75 VanDerWaalsContact O-CG 3.31Å; Q71-L75 WeakPolarHBondContact O-CG 3.5Å; Q71-L75 PolarHBondContact O-N 2.8Å |
| 72 | I | 89.4 | Confident | 82.2 | Confident | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.005 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.2 | -41.7 | 175.5 | -72.3 | 163.6 | 0 | 0 | 0 | 111.8 | A7 I8 C11 L40 Q43 D68 L69 L75 L76 | A7-I72 HydrophobicContact CB-CD1 3.64Å; I8-I72 HydrophobicContact CG1-CG1 4.24Å; C11-I72 HydrophobicContact CB-CG1 4.07Å; C11-I72 HydrophobicContact CB-CG2 4.25Å; L40-I72 HydrophobicContact CD2-CG2 3.73Å; Q43-I72 HydrophobicContact CG-CD1 3.88Å; D68-I72 WeakPolarHBondContact O-CB 3.35Å; D68-I72 WeakPolarHBondContact O-CD1 3.2Å; D68-I72 VanDerWaalsContact O-CG1 3.22Å; D68-I72 WeakPolarHBondContact O-CG1 3.47Å; D68-I72 PolarHBondContact O-N 3.07Å; L69-I72 PolarHBondContact O-N 3.27Å; I72-L75 PolarHBondContact O-N 2.94Å; I72-L76 HydrophobicContact CG2-CD1 4.02Å; I72-L76 WeakPolarHBondContact O-CG 3.43Å; I72-L76 PolarHBondContact O-N 3.43Å |
| 73 | L | 87.4 | Confident | 82.7 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.7 | -44.1 | 176.2 | -73.9 | 165 | 0 | 0 | 0 | 111.3 | L40 P60 L69 G70 L75 L76 S77 L114 | L40-L73 HydrophobicContact CD2-CD2 4.22Å; P60-L73 HydrophobicContact CG-CD1 4.01Å; L69-L73 HydrophobicContact CD1-CD1 3.97Å; L69-L73 HydrophobicContact CD1-CG 4.22Å; L69-L73 HydrophobicContact CG-CD1 3.85Å; L69-L73 HydrophobicContact CG-CG 4.49Å; L69-L73 WeakPolarHBondContact O-CB 3.31Å; L69-L73 VanDerWaalsContact O-CG 3.28Å; L69-L73 WeakPolarHBondContact O-CG 3.47Å; L69-L73 PolarHBondContact O-N 3.34Å; G70-L73 PolarHBondContact O-N 3.15Å; L73-L75 VanDerWaalsContact C-N 3.35Å; L73-L75 PolarHBondContact O-N 3.22Å; L73-L76 PolarHBondContact O-N 2.94Å; L73-S77 WeakPolarHBondContact O-CB 3.4Å; L73-S77 PolarHBondContact O-N 3.4Å; L73-S77 PolarHBondContact O-OG 2.95Å; L73-L114 HydrophobicContact CD1-CB 4.2Å |
| 74 | R | 85.1 | Confident | 83.3 | Confident | 173 Ų | 173 | 50.2 Ų | 50.2 | 65% | 0.653 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -63.1 | -37.6 | 173.9 | -177.3 | 177.5 | -178.1 | -179.4 | 3.4 | 112.9 | L61 G70 Q71 L76 S77 S78 | L61-R74 HydrophobicContact CD1-CB 3.67Å; L61-R74 HydrophobicContact CD1-CG 4.23Å; G70-R74 PolarHBondContact O-N 3.05Å; Q71-R74 PolarHBondContact O-N 3.47Å; R74-L76 VanDerWaalsContact C-N 3.33Å; R74-S77 WeakPolarHBondContact CA-OG 3.42Å; R74-S77 PolarHBondContact O-OG 2.88Å; R74-S78 WeakPolarHBondContact O-CB 3.45Å; R74-S78 PolarHBondContact O-N 2.87Å; R74-S78 PolarHBondContact O-OG 2.7Å; R74-S78 VanDerWaalsContact O-OG 3.08Å |
| 75 | L | 85.3 | Confident | 84.1 | Confident | 48 Ų | 48 | 51.2 Ų | 51.2 | 25% | 0.251 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -69.1 | -29.8 | 175.3 | -76.5 | 169.4 | 0 | 0 | 0 | 112.8 | I8 E12 Q71 I72 L73 S78 H79 | I8-L75 HydrophobicContact CG2-CD1 3.8Å; E12-L75 HydrophobicContact CG-CD1 4.49Å; Q71-L75 WeakPolarHBondContact O-CB 3.49Å; Q71-L75 VanDerWaalsContact O-CG 3.31Å; Q71-L75 WeakPolarHBondContact O-CG 3.5Å; Q71-L75 PolarHBondContact O-N 2.8Å; I72-L75 PolarHBondContact O-N 2.94Å; L73-L75 VanDerWaalsContact C-N 3.35Å; L73-L75 PolarHBondContact O-N 3.22Å; L75-S78 PolarHBondContact O-OG 2.96Å; L75-H79 PolarHBondContact O-ND1 3.41Å |
| 76 | L | 85.1 | Confident | 84.8 | Confident | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -82.3 | -31.8 | 174.5 | -71.2 | 169.2 | 0 | 0 | 0 | 112.5 | I15 F36 L40 I72 L73 R74 F82 M112 | I15-L76 HydrophobicContact CD1-CD2 4.03Å; I15-L76 HydrophobicContact CG1-CD2 4.19Å; F36-L76 HydrophobicContact CD1-CD2 4.3Å; F36-L76 HydrophobicContact CE1-CD2 3.85Å; F36-L76 HydrophobicContact CZ-CD2 4.19Å; L40-L76 HydrophobicContact CD1-CD1 4.02Å; L40-L76 HydrophobicContact CD2-CD1 4.26Å; L40-L76 HydrophobicContact CG-CD1 4.44Å; I72-L76 HydrophobicContact CG2-CD1 4.02Å; I72-L76 WeakPolarHBondContact O-CG 3.43Å; I72-L76 PolarHBondContact O-N 3.43Å; L73-L76 PolarHBondContact O-N 2.94Å; R74-L76 VanDerWaalsContact C-N 3.33Å; L76-F82 HydrophobicContact CD2-CD1 4.32Å; L76-F82 HydrophobicContact CD2-CE1 3.98Å; L76-M112 HydrophobicContact CB-CE 3.7Å; L76-M112 HydrophobicContact CD1-CE 4.2Å; L76-M112 HydrophobicContact CD1-SD 4.41Å; L76-M112 HydrophobicContact CG-CE 4.49Å |
| 77 | S | 80.2 | Confident | 85.1 | Confident | 40 Ų | 40 | 43.3 Ų | 43.3 | 28% | 0.28 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -75.7 | -33 | 177.9 | 69 | 0 | 0 | 0 | 0 | 113 | L73 R74 H79 | L73-S77 WeakPolarHBondContact O-CB 3.4Å; L73-S77 PolarHBondContact O-N 3.4Å; L73-S77 PolarHBondContact O-OG 2.95Å; R74-S77 WeakPolarHBondContact CA-OG 3.42Å; R74-S77 PolarHBondContact O-OG 2.88Å; S77-H79 PolarHBondContact O-N 2.65Å |
| 78 | S | 81.8 | Confident | 85.2 | Confident | 72 Ų | 72 | 47.6 Ų | 47.6 | 50% | 0.503 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | 16.8 | 173 | 66.3 | 0 | 0 | 0 | 0 | 114.9 | R74 L75 | R74-S78 WeakPolarHBondContact O-CB 3.45Å; R74-S78 PolarHBondContact O-N 2.87Å; R74-S78 PolarHBondContact O-OG 2.7Å; R74-S78 VanDerWaalsContact O-OG 3.08Å; L75-S78 PolarHBondContact O-OG 2.96Å |
| 79 | H | 83.7 | Confident | 85.2 | Confident | 40 Ų | 40 | 48.6 Ų | 48.6 | 19% | 0.185 | 24% | 0.244 | C | C | . | . | trans | -127.1 | 68.9 | 179.4 | -79.3 | 83 | 0 | 0 | 0 | 109.9 | K19 L75 S77 A81 F82 L83 | K19-H79 WeakPolarHBondContact CE-CD2 3.2Å; K19-H79 WeakPolarHBondContact CE-NE2 3.22Å; K19-H79 PolarHBondContact NZ-CD2 2.9Å; K19-H79 PolarHBondContact NZ-NE2 3.09Å; L75-H79 PolarHBondContact O-ND1 3.41Å; S77-H79 PolarHBondContact O-N 2.65Å; H79-A81 VanDerWaalsContact C-N 3.31Å; H79-A81 PolarHBondContact O-N 2.87Å; H79-F82 HydrophobicContact CB-CB 4Å; H79-F82 WeakPolarHBondContact O-CA 3.08Å; H79-F82 VanDerWaalsContact O-CB 3.26Å; H79-F82 WeakPolarHBondContact O-CB 3.28Å; H79-F82 PolarHBondContact O-N 2.92Å; H79-L83 PolarHBondContact O-N 2.84Å | ||
| 80 | D | 81.5 | Confident | 85.3 | Confident | 118 Ų | 118 | 49.1 Ų | 49.1 | 63% | 0.631 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -53.6 | -45.7 | -175.2 | -54.3 | -67.4 | 0 | 0 | 0 | 112.6 | F82 L83 E84 | D80-F82 PolarHBondContact O-N 2.99Å; D80-L83 PolarHBondContact O-N 2.93Å; D80-E84 VanDerWaalsContact O-CB 3.28Å; D80-E84 WeakPolarHBondContact O-CB 3.24Å; D80-E84 PolarHBondContact O-N 2.8Å |
| 81 | A | 85 | Confident | 85.3 | Confident | 47 Ų | 47 | 49.2 Ų | 49.2 | 39% | 0.388 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -61.8 | -15.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | W18 H79 R85 | W18-A81 VanDerWaalsContact CH2-O 3.27Å; W18-A81 WeakPolarHBondContact CH2-O 3.45Å; H79-A81 VanDerWaalsContact C-N 3.31Å; H79-A81 PolarHBondContact O-N 2.87Å; A81-R85 WeakPolarHBondContact O-CB 3.16Å |
| 82 | F | 88.5 | Confident | 85.3 | Confident | 2 Ų | 2 | 47.4 Ų | 47.4 | 1% | 0.009 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -84 | -47.6 | 168.7 | 178 | -101.5 | 0 | 0 | 0 | 111.2 | W18 L33 F36 L76 H79 D80 R85 L86 L108 | W18-F82 AromaticContact CD2-CD2 3.69Å; W18-F82 HydrophobicContact CD2-CD2 3.69Å; W18-F82 HydrophobicContact CD2-CE2 4.28Å; W18-F82 AromaticContact CE2-CD2 3.66Å; W18-F82 AromaticContact CE3-CD2 3.99Å; W18-F82 HydrophobicContact CE3-CD2 3.99Å; W18-F82 HydrophobicContact CG-CD2 4.11Å; W18-F82 HydrophobicContact CG-CE2 4.22Å; W18-F82 HydrophobicContact CH2-CB 3.92Å; W18-F82 HydrophobicContact CH2-CD2 4.21Å; W18-F82 HydrophobicContact CZ2-CB 4.35Å; W18-F82 AromaticContact CZ2-CD2 3.93Å; W18-F82 HydrophobicContact CZ2-CD2 3.93Å; W18-F82 HydrophobicContact CZ3-CB 4.03Å; W18-F82 HydrophobicContact CZ3-CD2 4.25Å; L33-F82 HydrophobicContact CD2-CZ 4.43Å; F36-F82 HydrophobicContact CD2-CE2 4.29Å; F36-F82 AromaticContact CD2-CZ 3.82Å; F36-F82 HydrophobicContact CD2-CZ 3.82Å; F36-F82 AromaticContact CE2-CE2 3.69Å; F36-F82 HydrophobicContact CE2-CE2 3.69Å; F36-F82 AromaticContact CE2-CZ 3.55Å; F36-F82 HydrophobicContact CE2-CZ 3.55Å; F36-F82 HydrophobicContact CZ-CE2 4.43Å; F36-F82 HydrophobicContact CZ-CZ 4.25Å; L76-F82 HydrophobicContact CD2-CD1 4.32Å; L76-F82 HydrophobicContact CD2-CE1 3.98Å; H79-F82 HydrophobicContact CB-CB 4Å; H79-F82 WeakPolarHBondContact O-CA 3.08Å; H79-F82 VanDerWaalsContact O-CB 3.26Å; H79-F82 WeakPolarHBondContact O-CB 3.28Å; H79-F82 PolarHBondContact O-N 2.92Å; D80-F82 PolarHBondContact O-N 2.99Å; F82-R85 PolarHBondContact O-N 2.89Å; F82-L86 HydrophobicContact CE1-CD2 4.25Å; F82-L86 WeakPolarHBondContact O-CB 3.36Å; F82-L86 PolarHBondContact O-N 3.38Å; F82-L108 HydrophobicContact CE1-CD2 4.2Å; F82-L108 HydrophobicContact CZ-CD2 3.84Å |
| 83 | L | 84.1 | Confident | 84.7 | Confident | 25 Ų | 25 | 49.9 Ų | 49.9 | 13% | 0.131 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.5 | -46.5 | 176 | -71.4 | 179.4 | 0 | 0 | 0 | 112.4 | H79 D80 L86 T87 M112 V116 | H79-L83 PolarHBondContact O-N 2.84Å; D80-L83 PolarHBondContact O-N 2.93Å; L83-L86 PolarHBondContact O-N 2.95Å; L83-T87 WeakPolarHBondContact O-CB 3.15Å; L83-T87 PolarHBondContact O-N 2.95Å; L83-T87 PolarHBondContact O-OG1 2.78Å; L83-M112 HydrophobicContact CD2-CE 3.5Å; L83-M112 VanDerWaalsContact CD2-CE 3.5Å; L83-V116 HydrophobicContact CD1-CG1 4.37Å; L83-V116 HydrophobicContact CD2-CG1 4.41Å |
| 84 | E | 83.2 | Confident | 84.5 | Confident | 115 Ų | 115 | 50.8 Ų | 50.8 | 54% | 0.537 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -57 | -53.3 | 175.8 | -174.5 | -144.9 | 166.9 | 0 | 0 | 110 | D80 L86 T87 Y88 | D80-E84 VanDerWaalsContact O-CB 3.28Å; D80-E84 WeakPolarHBondContact O-CB 3.24Å; D80-E84 PolarHBondContact O-N 2.8Å; E84-L86 PolarHBondContact O-N 2.85Å; E84-T87 PolarHBondContact O-N 2.91Å; E84-Y88 HydrophobicContact CG-CD2 3.85Å; E84-Y88 HydrophobicContact CG-CE2 4.45Å; E84-Y88 WeakPolarHBondContact O-CB 3.31Å; E84-Y88 WeakPolarHBondContact O-CD2 3.33Å; E84-Y88 PolarHBondContact O-N 2.82Å |
| 85 | R | 87.2 | Confident | 84.1 | Confident | 75 Ų | 75 | 48.2 Ų | 48.2 | 28% | 0.283 | 27% | 0.271 | S | S | . | . | I | π-helix | trans | -69.1 | -32.3 | -179 | -156.5 | 177.6 | -170.4 | 120.4 | -22.1 | 112.4 | W18 R22 A81 F82 T87 V89 Y90 | W18-R85 HydrophobicContact CZ2-CB 4.2Å; R22-R85 PolarHBondContact O-NH2 2.81Å; A81-R85 WeakPolarHBondContact O-CB 3.16Å; F82-R85 PolarHBondContact O-N 2.89Å; R85-T87 VanDerWaalsContact C-N 3.31Å; R85-V89 HydrophobicContact CG-CB 3.8Å; R85-V89 HydrophobicContact CG-CG1 4.33Å; R85-V89 HydrophobicContact CG-CG2 3.92Å; R85-V89 CarbonylContact O-C 3.52Å; R85-V89 WeakPolarHBondContact O-CA 3.47Å; R85-V89 VanDerWaalsContact O-CB 3.31Å; R85-V89 WeakPolarHBondContact O-CB 3.48Å; R85-V89 PolarHBondContact O-N 3.18Å; R85-V89 VanDerWaalsContact O-N 3.13Å; R85-Y90 HydrophobicContact CG-CE1 4.28Å; R85-Y90 HydrophobicContact CG-CE2 4.45Å; R85-Y90 PolarHBondContact O-N 2.83Å |
| 86 | L | 87.9 | Confident | 84.2 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 28% | 0.28 | C | S | . | . | I | π-helix | trans | -61.4 | -41.5 | 172 | 178.7 | 60 | 0 | 0 | 0 | 111.5 | L33 F82 L83 E84 Y90 L91 A105 L108 L109 M112 | L33-L86 HydrophobicContact CD2-CD1 3.86Å; F82-L86 HydrophobicContact CE1-CD2 4.25Å; F82-L86 WeakPolarHBondContact O-CB 3.36Å; F82-L86 PolarHBondContact O-N 3.38Å; L83-L86 PolarHBondContact O-N 2.95Å; E84-L86 PolarHBondContact O-N 2.85Å; L86-Y90 HydrophobicContact CB-CD2 4.48Å; L86-Y90 HydrophobicContact CD1-CD2 4.19Å; L86-L91 PolarHBondContact O-N 3.04Å; L86-A105 HydrophobicContact CD1-CB 3.87Å; L86-L108 HydrophobicContact CD1-CD2 4.06Å; L86-L108 HydrophobicContact CD2-CD2 3.84Å; L86-L108 HydrophobicContact CD2-CG 4.07Å; L86-L109 HydrophobicContact CD2-CD2 3.58Å; L86-L109 HydrophobicContact CD2-CG 3.99Å; L86-L109 HydrophobicContact CG-CD2 3.97Å; L86-L109 HydrophobicContact CG-CG 4.1Å; L86-M112 HydrophobicContact CD2-SD 4.11Å |
| 87 | T | 82.9 | Confident | 84.3 | Confident | 15 Ų | 15 | 51 Ų | 51 | 9% | 0.092 | 29% | 0.288 | C | S | . | . | I | π-helix | trans | -86 | -57 | -174.6 | -48.6 | 0 | 0 | 0 | 0 | 111.7 | L83 E84 R85 L91 L92 I128 | L83-T87 WeakPolarHBondContact O-CB 3.15Å; L83-T87 PolarHBondContact O-N 2.95Å; L83-T87 PolarHBondContact O-OG1 2.78Å; E84-T87 PolarHBondContact O-N 2.91Å; R85-T87 VanDerWaalsContact C-N 3.31Å; T87-L91 WeakPolarHBondContact O-CB 3.21Å; T87-L92 PolarHBondContact O-N 3.26Å; T87-I128 HydrophobicContact CG2-CD1 3.42Å; T87-I128 VanDerWaalsContact CG2-CD1 3.42Å; T87-I128 HydrophobicContact CG2-CG1 3.89Å; T87-I128 HydrophobicContact CG2-CG2 4.43Å |
| 88 | Y | 84.4 | Confident | 84.7 | Confident | 105 Ų | 105 | 52.4 Ų | 52.4 | 41% | 0.412 | 30% | 0.297 | S | S | . | . | I | π-helix | trans | -82.4 | -17.4 | -174.4 | -64.9 | -77.5 | 0 | 0 | 0 | 114.9 | E84 L92 I128 | E84-Y88 HydrophobicContact CG-CD2 3.85Å; E84-Y88 HydrophobicContact CG-CE2 4.45Å; E84-Y88 WeakPolarHBondContact O-CB 3.31Å; E84-Y88 WeakPolarHBondContact O-CD2 3.33Å; E84-Y88 PolarHBondContact O-N 2.82Å; Y88-L92 HydrophobicContact CD1-CD1 4.1Å; Y88-I128 HydrophobicContact CD1-CD1 4.17Å; Y88-I128 HydrophobicContact CD1-CG1 4.49Å; Y88-I128 HydrophobicContact CE1-CD1 3.49Å; Y88-I128 VanDerWaalsContact CE1-CD1 3.49Å; Y88-I128 HydrophobicContact CE1-CG1 4.12Å; Y88-I128 HydrophobicContact CE2-CD1 4.27Å |
| 89 | V | 86.7 | Confident | 85.2 | Confident | 71 Ų | 71 | 51.8 Ų | 51.8 | 43% | 0.43 | 29% | 0.288 | S | S | . | . | I | π-helix | trans | -118.2 | -40.7 | -178.3 | -174.5 | 0 | 0 | 0 | 0 | 113.3 | R85 G93 | R85-V89 HydrophobicContact CG-CB 3.8Å; R85-V89 HydrophobicContact CG-CG1 4.33Å; R85-V89 HydrophobicContact CG-CG2 3.92Å; R85-V89 CarbonylContact O-C 3.52Å; R85-V89 WeakPolarHBondContact O-CA 3.47Å; R85-V89 VanDerWaalsContact O-CB 3.31Å; R85-V89 WeakPolarHBondContact O-CB 3.48Å; R85-V89 PolarHBondContact O-N 3.18Å; R85-V89 VanDerWaalsContact O-N 3.13Å; V89-G93 WeakPolarHBondContact O-CA 3.48Å; V89-G93 PolarHBondContact O-N 2.6Å; V89-G93 VanDerWaalsContact O-N 3.16Å |
| 90 | Y | 90 | Very high | 85.6 | Confident | 12 Ų | 12 | 56.4 Ų | 56.4 | 5% | 0.047 | 31% | 0.31 | C | S | . | . | I | π-helix | trans | -87.2 | -45.2 | -179.5 | -54.6 | -29.6 | 0 | 0 | 0 | 112.7 | W18 P29 L33 R85 L86 L101 | W18-Y90 AromaticContact NE1-CE2 3.81Å; W18-Y90 AromaticContact NE1-CZ 3.84Å; W18-Y90 PolarHBondContact NE1-OH 2.65Å; P29-Y90 HydrophobicContact CB-CE1 4.24Å; P29-Y90 HydrophobicContact CB-CE2 4.29Å; P29-Y90 HydrophobicContact CG-CD1 4.19Å; P29-Y90 HydrophobicContact CG-CE1 3.92Å; L33-Y90 HydrophobicContact CD1-CD2 3.93Å; L33-Y90 HydrophobicContact CD1-CG 4.28Å; L33-Y90 HydrophobicContact CD2-CD2 4.12Å; L33-Y90 HydrophobicContact CD2-CE2 4.39Å; R85-Y90 HydrophobicContact CG-CE1 4.28Å; R85-Y90 HydrophobicContact CG-CE2 4.45Å; R85-Y90 PolarHBondContact O-N 2.83Å; L86-Y90 HydrophobicContact CB-CD2 4.48Å; L86-Y90 HydrophobicContact CD1-CD2 4.19Å; Y90-L101 HydrophobicContact CD1-CD1 4.07Å; Y90-L101 HydrophobicContact CD1-CD2 4.43Å; Y90-L101 HydrophobicContact CG-CD1 4.1Å |
| 91 | L | 86.7 | Confident | 86.1 | Confident | 3 Ų | 3 | 52.5 Ų | 52.5 | 2% | 0.016 | 29% | 0.289 | C | S | . | . | I | π-helix | trans | -72.2 | -45.1 | 174.9 | -176.3 | 74.2 | 0 | 0 | 0 | 112.2 | L86 T87 V102 A105 L109 L132 L135 | L86-L91 PolarHBondContact O-N 3.04Å; T87-L91 WeakPolarHBondContact O-CB 3.21Å; L91-V102 HydrophobicContact CD1-CG1 4.26Å; L91-A105 HydrophobicContact CB-CB 4.19Å; L91-L109 HydrophobicContact CB-CD1 4.5Å; L91-L109 HydrophobicContact CD2-CD1 3.92Å; L91-L132 HydrophobicContact CD2-CD2 4.27Å; L91-L135 HydrophobicContact CD1-CD1 4.31Å |
| 92 | L | 85.6 | Confident | 86.5 | Confident | 32 Ų | 32 | 50.2 Ų | 50.2 | 17% | 0.168 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -8.6 | 179.5 | -64.2 | -174.1 | 0 | 0 | 0 | 115 | T87 Y88 S94 V127 I128 T131 | T87-L92 PolarHBondContact O-N 3.26Å; Y88-L92 HydrophobicContact CD1-CD1 4.1Å; L92-S94 PolarHBondContact O-N 3.22Å; L92-V127 HydrophobicContact CD1-CB 4Å; L92-V127 HydrophobicContact CD1-CG1 3.81Å; L92-V127 HydrophobicContact CD2-CG1 4.18Å; L92-I128 HydrophobicContact CD1-CG1 4.15Å; L92-T131 HydrophobicContact CD2-CG2 3.78Å |
| 93 | G | 76.6 | Confident | 86.7 | Confident | 54 Ų | 54 | 52.2 Ų | 52.2 | 56% | 0.557 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -8.7 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | V89 | V89-G93 WeakPolarHBondContact O-CA 3.48Å; V89-G93 PolarHBondContact O-N 2.6Å; V89-G93 VanDerWaalsContact O-N 3.16Å |
| 94 | S | 82.3 | Confident | 87.1 | Confident | 19 Ų | 19 | 51 Ų | 51 | 13% | 0.133 | 28% | 0.275 | C | S | . | . | trans | -152.4 | 130.8 | 176.6 | 169.6 | 0 | 0 | 0 | 0 | 111.2 | L92 D96 N99 | L92-S94 PolarHBondContact O-N 3.22Å; S94-D96 PolarHBondContact O-N 2.87Å; S94-D96 WeakPolarHBondContact OG-CB 3.46Å; S94-D96 PolarHBondContact OG-N 2.86Å; S94-D96 PolarHBondContact OG-O 3.47Å; S94-N99 WeakPolarHBondContact CB-ND2 3.45Å; S94-N99 WeakPolarHBondContact OG-CB 3.22Å; S94-N99 PolarHBondContact OG-ND2 3.23Å; S94-N99 VanDerWaalsContact OG-ND2 3.15Å | ||
| 95 | N | 78.2 | Confident | 87.5 | Confident | 118 Ų | 118 | 45.6 Ų | 45.6 | 63% | 0.631 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -79.4 | -5.6 | 169.4 | -77.2 | -97.5 | 0 | 0 | 0 | 112.6 | P97 | N95-P97 WeakPolarHBondContact O-CD 3.27Š|
| 96 | D | 86.5 | Confident | 87.7 | Confident | 84 Ų | 84 | 42 Ų | 42 | 45% | 0.449 | 24% | 0.236 | S | C | . | . | trans | -81.7 | 116.1 | 174.2 | -170.1 | -28.5 | 0 | 0 | 0 | 110.3 | S94 S98 N99 | S94-D96 PolarHBondContact O-N 2.87Å; S94-D96 WeakPolarHBondContact OG-CB 3.46Å; S94-D96 PolarHBondContact OG-N 2.86Å; S94-D96 PolarHBondContact OG-O 3.47Å; D96-S98 VanDerWaalsContact CG-OG 3.31Å; D96-S98 PolarHBondContact O-N 2.98Å; D96-S98 WeakPolarHBondContact OD1-CB 3.43Å; D96-S98 PolarHBondContact OD1-N 3.39Å; D96-S98 PolarHBondContact OD1-OG 3.48Å; D96-S98 PolarHBondContact OD2-OG 2.99Å; D96-N99 WeakPolarHBondContact O-CB 3.28Å; D96-N99 PolarHBondContact O-N 2.9Å | ||
| 97 | P | 87.1 | Confident | 88 | Confident | 25 Ų | 25 | 42.3 Ų | 42.3 | 16% | 0.162 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -10.9 | 179.8 | 30.9 | -37.5 | 0 | 0 | 0 | 113.9 | N95 L135 T140 T143 | N95-P97 WeakPolarHBondContact O-CD 3.27Å; P97-L135 HydrophobicContact CB-CD2 3.76Å; P97-T140 VanDerWaalsContact CG-OG1 3.29Å; P97-T140 WeakPolarHBondContact CG-OG1 3.36Å; P97-T143 HydrophobicContact CB-CG2 4.37Å; P97-T143 WeakPolarHBondContact O-CB 3.46Å; P97-T143 PolarHBondContact O-OG1 3.36Å |
| 98 | S | 89.8 | Confident | 88.4 | Confident | 68 Ų | 68 | 41.6 Ų | 41.6 | 48% | 0.476 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | -2.4 | 176.1 | 71 | 0 | 0 | 0 | 0 | 113.9 | D96 E100 | D96-S98 VanDerWaalsContact CG-OG 3.31Å; D96-S98 PolarHBondContact O-N 2.98Å; D96-S98 WeakPolarHBondContact OD1-CB 3.43Å; D96-S98 PolarHBondContact OD1-N 3.39Å; D96-S98 PolarHBondContact OD1-OG 3.48Å; D96-S98 PolarHBondContact OD2-OG 2.99Å; S98-E100 PolarHBondContact O-N 3.4Å |
| 99 | N | 92 | Very high | 88.6 | Confident | 60 Ų | 60 | 37 Ų | 37 | 32% | 0.321 | 22% | 0.215 | S | C | . | . | trans | -72 | 125.3 | -177.7 | -171.9 | -32.1 | 0 | 0 | 0 | 111.8 | S94 D96 L101 V102 I103 | S94-N99 WeakPolarHBondContact CB-ND2 3.45Å; S94-N99 WeakPolarHBondContact OG-CB 3.22Å; S94-N99 PolarHBondContact OG-ND2 3.23Å; S94-N99 VanDerWaalsContact OG-ND2 3.15Å; D96-N99 WeakPolarHBondContact O-CB 3.28Å; D96-N99 PolarHBondContact O-N 2.9Å; N99-L101 PolarHBondContact O-N 2.54Å; N99-L101 VanDerWaalsContact O-N 3.13Å; N99-L101 WeakPolarHBondContact OD1-CB 2.91Å; N99-L101 PolarHBondContact OD1-N 2.99Å; N99-V102 HydrophobicContact CB-CB 4.46Å; N99-V102 HydrophobicContact CB-CG2 4.05Å; N99-V102 PolarHBondContact O-N 3.04Å; N99-I103 WeakPolarHBondContact O-CG1 3.45Å; N99-I103 PolarHBondContact O-N 2.91Å | ||
| 100 | E | 91.9 | Very high | 88.8 | Confident | 136 Ų | 136 | 33.7 Ų | 33.7 | 64% | 0.636 | 20% | 0.195 | S | C | * | . | H | α-helix | trans | -55.2 | -30.6 | 179.9 | -61.9 | -175.1 | 177.1 | 0 | 0 | 113.3 | V30 S98 A104 | V30-E100 HydrophobicContact CG1-CB 4.31Å; V30-E100 HydrophobicContact CG2-CB 4.32Å; S98-E100 PolarHBondContact O-N 3.4Å; E100-A104 VanDerWaalsContact O-CB 3.3Å; E100-A104 WeakPolarHBondContact O-CB 3.45Å; E100-A104 PolarHBondContact O-N 3.13Å |
| 101 | L | 92.5 | Very high | 88.8 | Confident | 36 Ų | 36 | 33.1 Ų | 33.1 | 19% | 0.188 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -66.7 | -45.5 | 175.2 | -176.8 | 57.2 | 0 | 0 | 0 | 112.5 | P29 V30 L33 Y90 N99 I103 A104 A105 | P29-L101 HydrophobicContact CG-CD1 3.54Å; V30-L101 HydrophobicContact CG2-CB 4.22Å; V30-L101 HydrophobicContact CG2-CD1 4.2Å; L33-L101 HydrophobicContact CD1-CD1 4.04Å; Y90-L101 HydrophobicContact CD1-CD1 4.07Å; Y90-L101 HydrophobicContact CD1-CD2 4.43Å; Y90-L101 HydrophobicContact CG-CD1 4.1Å; N99-L101 PolarHBondContact O-N 2.54Å; N99-L101 VanDerWaalsContact O-N 3.13Å; N99-L101 WeakPolarHBondContact OD1-CB 2.91Å; N99-L101 PolarHBondContact OD1-N 2.99Å; L101-I103 VanDerWaalsContact C-N 3.33Å; L101-A104 PolarHBondContact O-N 3.2Å; L101-A105 VanDerWaalsContact O-CB 3.3Å; L101-A105 WeakPolarHBondContact O-CB 3.5Å; L101-A105 PolarHBondContact O-N 2.89Å |
| 102 | V | 92.1 | Very high | 88.8 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -68 | -38.5 | 178.9 | -178.2 | 0 | 0 | 0 | 0 | 109.8 | L91 N99 S106 L135 T143 | L91-V102 HydrophobicContact CD1-CG1 4.26Å; N99-V102 HydrophobicContact CB-CB 4.46Å; N99-V102 HydrophobicContact CB-CG2 4.05Å; N99-V102 PolarHBondContact O-N 3.04Å; V102-S106 WeakPolarHBondContact O-CB 3.32Å; V102-S106 PolarHBondContact O-N 2.8Å; V102-S106 PolarHBondContact O-OG 3.1Å; V102-L135 HydrophobicContact CG1-CD1 3.88Å; V102-L135 HydrophobicContact CG1-CD2 4.19Å; V102-T143 HydrophobicContact CG1-CG2 3.97Å |
| 103 | I | 92.7 | Very high | 88.5 | Confident | 43 Ų | 43 | 34.6 Ų | 34.6 | 22% | 0.221 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.4 | -47.5 | 173.7 | -69.1 | 163.8 | 0 | 0 | 0 | 111 | N99 L101 S106 R107 P142 T143 Y146 | N99-I103 WeakPolarHBondContact O-CG1 3.45Å; N99-I103 PolarHBondContact O-N 2.91Å; L101-I103 VanDerWaalsContact C-N 3.33Å; I103-S106 PolarHBondContact O-OG 3.4Å; I103-R107 VanDerWaalsContact O-CB 3.29Å; I103-R107 WeakPolarHBondContact O-CB 3.24Å; I103-R107 PolarHBondContact O-N 2.69Å; I103-P142 HydrophobicContact CG2-CG 3.99Å; I103-T143 VanDerWaalsContact CG1-OG1 3.23Å; I103-T143 WeakPolarHBondContact CG1-OG1 3.33Å; I103-Y146 HydrophobicContact CG2-CE2 4.36Å |
| 104 | A | 93.2 | Very high | 88.3 | Confident | 1 Ų | 1 | 35.2 Ų | 35.2 | 1% | 0.008 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -70.1 | -39 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | V30 L33 E100 L101 L108 | V30-A104 HydrophobicContact CG1-CB 4.22Å; L33-A104 HydrophobicContact CB-CB 3.93Å; L33-A104 HydrophobicContact CD1-CB 4.16Å; E100-A104 VanDerWaalsContact O-CB 3.3Å; E100-A104 WeakPolarHBondContact O-CB 3.45Å; E100-A104 PolarHBondContact O-N 3.13Å; L101-A104 PolarHBondContact O-N 3.2Å; A104-L108 PolarHBondContact O-N 2.67Å; A104-L108 VanDerWaalsContact O-N 3.1Å |
| 105 | A | 91.7 | Very high | 87.5 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -66.1 | -47.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | L33 L86 L91 L101 L108 L109 | L33-A105 HydrophobicContact CD1-CB 4.5Å; L86-A105 HydrophobicContact CD1-CB 3.87Å; L91-A105 HydrophobicContact CB-CB 4.19Å; L101-A105 VanDerWaalsContact O-CB 3.3Å; L101-A105 WeakPolarHBondContact O-CB 3.5Å; L101-A105 PolarHBondContact O-N 2.89Å; A105-L108 PolarHBondContact O-N 3.5Å; A105-L109 WeakPolarHBondContact O-CG 3.36Å; A105-L109 PolarHBondContact O-N 2.91Å |
| 106 | S | 91 | Very high | 86.9 | Confident | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.007 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -68.3 | -33.5 | 178.1 | 56.2 | 0 | 0 | 0 | 0 | 113.1 | V102 I103 C110 Y146 | V102-S106 WeakPolarHBondContact O-CB 3.32Å; V102-S106 PolarHBondContact O-N 2.8Å; V102-S106 PolarHBondContact O-OG 3.1Å; I103-S106 PolarHBondContact O-OG 3.4Å; S106-C110 PolarHBondContact O-N 2.73Å; S106-C110 PolarHBondContact O-SG 3.04Å; S106-Y146 WeakPolarHBondContact OG-CD2 3.41Å |
| 107 | R | 93.3 | Very high | 85.7 | Confident | 5 Ų | 5 | 30 Ų | 30 | 2% | 0.019 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -57.8 | -49.3 | 168.4 | -176.1 | -170.7 | 177.8 | -170.3 | -0.1 | 111.1 | N34 E38 E41 I103 C110 A111 Y146 L211 | N34-R107 PolarHBondContact OD1-NH1 2.88Å; E38-R107 VanDerWaalsContact CG-NH2 3.32Å; E38-R107 IonicContact OE1-CZ 3.49Å; E38-R107 IonicContact OE1-NH1 3.12Å; E38-R107 PolarHBondContact OE1-NH1 3.11Å; E38-R107 VanDerWaalsContact OE1-NH1 3.09Å; E38-R107 IonicContact OE1-NH2 2.74Å; E41-R107 VanDerWaalsContact CD-NH2 3.28Å; E41-R107 IonicContact OE1-CZ 2.61Å; E41-R107 IonicContact OE1-NE 3.78Å; E41-R107 PolarHBondContact OE1-NE 3.49Å; E41-R107 IonicContact OE1-NH2 2.86Å; E41-R107 PolarHBondContact OE1-NH2 3.02Å; E41-R107 IonicContact OE2-NH2 3.67Å; E41-R107 PolarHBondContact OE2-NH2 2.72Å; I103-R107 VanDerWaalsContact O-CB 3.29Å; I103-R107 WeakPolarHBondContact O-CB 3.24Å; I103-R107 PolarHBondContact O-N 2.69Å; R107-C110 WeakPolarHBondContact O-CB 3.45Å; R107-C110 PolarHBondContact O-N 2.84Å; R107-A111 PolarHBondContact O-N 3.16Å; R107-Y146 HydrophobicContact CB-CD2 4.46Å; R107-Y146 HydrophobicContact CB-CE2 3.89Å; R107-L211 HydrophobicContact CG-CB 3.99Å; R107-L211 HydrophobicContact CG-CD1 3.91Å; R107-L211 WeakPolarHBondContact O-CD1 3.48Å |
| 108 | L | 92.1 | Very high | 84.6 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.5 | -45.8 | -177.9 | -178.8 | 55.6 | 0 | 0 | 0 | 112 | L33 F36 S37 L40 F82 L86 A104 A105 C110 A111 M112 | L33-L108 HydrophobicContact CD2-CD2 3.66Å; F36-L108 HydrophobicContact CB-CD1 3.67Å; F36-L108 HydrophobicContact CB-CD2 4.04Å; F36-L108 HydrophobicContact CD2-CD2 4.38Å; S37-L108 WeakPolarHBondContact OG-CA 3.46Å; S37-L108 PolarHBondContact OG-N 2.7Å; L40-L108 HydrophobicContact CD1-CD1 3.66Å; F82-L108 HydrophobicContact CE1-CD2 4.2Å; F82-L108 HydrophobicContact CZ-CD2 3.84Å; L86-L108 HydrophobicContact CD1-CD2 4.06Å; L86-L108 HydrophobicContact CD2-CD2 3.84Å; L86-L108 HydrophobicContact CD2-CG 4.07Å; A104-L108 PolarHBondContact O-N 2.67Å; A104-L108 VanDerWaalsContact O-N 3.1Å; A105-L108 PolarHBondContact O-N 3.5Å; L108-C110 VanDerWaalsContact C-N 3.28Å; L108-C110 PolarHBondContact O-N 2.98Å; L108-A111 WeakPolarHBondContact O-CA 3.07Å; L108-A111 WeakPolarHBondContact O-CB 3.3Å; L108-A111 PolarHBondContact O-N 3.25Å; L108-M112 HydrophobicContact CD1-CG 4.21Å; L108-M112 HydrophobicContact CD1-SD 4.07Å; L108-M112 HydrophobicContact CD2-SD 4.45Å; L108-M112 HydrophobicContact CG-CG 4.47Å; L108-M112 HydrophobicContact CG-SD 3.9Å; L108-M112 WeakPolarHBondContact O-CG 3.23Å; L108-M112 PolarHBondContact O-N 3.37Å |
| 109 | L | 89.4 | Confident | 83.1 | Confident | 8 Ų | 8 | 29.2 Ų | 29.2 | 4% | 0.042 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.4 | -38.2 | 175.8 | -69.2 | 170.7 | 0 | 0 | 0 | 112.1 | L86 L91 A105 A111 M112 R113 L118 L150 | L86-L109 HydrophobicContact CD2-CD2 3.58Å; L86-L109 HydrophobicContact CD2-CG 3.99Å; L86-L109 HydrophobicContact CG-CD2 3.97Å; L86-L109 HydrophobicContact CG-CG 4.1Å; L91-L109 HydrophobicContact CB-CD1 4.5Å; L91-L109 HydrophobicContact CD2-CD1 3.92Å; A105-L109 WeakPolarHBondContact O-CG 3.36Å; A105-L109 PolarHBondContact O-N 2.91Å; L109-A111 VanDerWaalsContact C-N 3.27Å; L109-A111 PolarHBondContact O-N 3.24Å; L109-M112 PolarHBondContact O-N 2.71Å; L109-R113 PolarHBondContact O-N 2.97Å; L109-L118 HydrophobicContact CD2-CD2 4.38Å; L109-L150 HydrophobicContact CB-CD1 4.11Å; L109-L150 HydrophobicContact CB-CD2 3.76Å; L109-L150 HydrophobicContact CD1-CD1 4.45Å |
| 110 | C | 90.1 | Very high | 81.1 | Confident | 2 Ų | 2 | 33.4 Ų | 33.4 | 1% | 0.014 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.5 | -33.3 | 173.9 | -69.2 | 0 | 0 | 0 | 0 | 112.7 | S106 R107 L108 F149 L211 | S106-C110 PolarHBondContact O-N 2.73Å; S106-C110 PolarHBondContact O-SG 3.04Å; R107-C110 WeakPolarHBondContact O-CB 3.45Å; R107-C110 PolarHBondContact O-N 2.84Å; L108-C110 VanDerWaalsContact C-N 3.28Å; L108-C110 PolarHBondContact O-N 2.98Å; C110-F149 HydrophobicContact CB-CD1 3.9Å; C110-F149 HydrophobicContact CB-CE1 4.2Å; C110-F149 WeakPolarHBondContact O-CE1 3.47Å; C110-L211 HydrophobicContact CB-CD1 3.74Å; C110-L211 HydrophobicContact CB-CD2 4.38Å |
| 111 | A | 89.6 | Confident | 79.3 | Confident | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.008 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -78.5 | -23.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113 | L40 I44 R107 L108 L109 F209 L211 | L40-A111 HydrophobicContact CB-CB 3.8Å; L40-A111 HydrophobicContact CD1-CB 4.01Å; I44-A111 HydrophobicContact CD1-CB 4.45Å; I44-A111 WeakPolarHBondContact CD1-O 3.23Å; R107-A111 PolarHBondContact O-N 3.16Å; L108-A111 WeakPolarHBondContact O-CA 3.07Å; L108-A111 WeakPolarHBondContact O-CB 3.3Å; L108-A111 PolarHBondContact O-N 3.25Å; L109-A111 VanDerWaalsContact C-N 3.27Å; L109-A111 PolarHBondContact O-N 3.24Å; A111-F209 HydrophobicContact CB-CE1 4.47Å; A111-L211 HydrophobicContact CB-CD1 4.41Å |
| 112 | M | 87.7 | Confident | 77.8 | Confident | 3 Ų | 3 | 29.8 Ų | 29.8 | 2% | 0.015 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -85.6 | -11.6 | -179.5 | -68.2 | 179.2 | 66.2 | 0 | 0 | 114.6 | L40 L76 L83 L86 L108 L109 L114 G115 V116 | L40-M112 HydrophobicContact CD1-CG 3.53Å; L76-M112 HydrophobicContact CB-CE 3.7Å; L76-M112 HydrophobicContact CD1-CE 4.2Å; L76-M112 HydrophobicContact CD1-SD 4.41Å; L76-M112 HydrophobicContact CG-CE 4.49Å; L83-M112 HydrophobicContact CD2-CE 3.5Å; L83-M112 VanDerWaalsContact CD2-CE 3.5Å; L86-M112 HydrophobicContact CD2-SD 4.11Å; L108-M112 HydrophobicContact CD1-CG 4.21Å; L108-M112 HydrophobicContact CD1-SD 4.07Å; L108-M112 HydrophobicContact CD2-SD 4.45Å; L108-M112 HydrophobicContact CG-CG 4.47Å; L108-M112 HydrophobicContact CG-SD 3.9Å; L108-M112 WeakPolarHBondContact O-CG 3.23Å; L108-M112 PolarHBondContact O-N 3.37Å; L109-M112 PolarHBondContact O-N 2.71Å; M112-L114 PolarHBondContact O-N 3.05Å; M112-G115 PolarHBondContact O-N 2.83Å; M112-V116 HydrophobicContact CE-CG2 3.99Å; M112-V116 PolarHBondContact O-N 2.79Å |
| 113 | R | 79.7 | Confident | 76.3 | Confident | 62 Ų | 62 | 35.8 Ų | 35.8 | 23% | 0.234 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.3 | -34.7 | -176.7 | -178.1 | -178.6 | 177.1 | 163 | 6.9 | 114.3 | L109 G115 F149 D156 | L109-R113 PolarHBondContact O-N 2.97Å; R113-G115 PolarHBondContact O-N 3.19Å; R113-F149 HydrophobicContact CB-CE1 4.03Å; R113-F149 HydrophobicContact CB-CZ 4.5Å; R113-F149 HydrophobicContact CG-CE1 4.39Å; R113-D156 IonicContact CZ-OD2 3.92Å; R113-D156 IonicContact NH2-OD1 2.83Å; R113-D156 IonicContact NH2-OD2 3.6Å; R113-D156 PolarHBondContact NH2-OD2 2.97Å |
| 114 | L | 72.6 | Confident | 74.4 | Confident | 68 Ų | 68 | 39.3 Ų | 39.3 | 36% | 0.356 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -11.2 | -178.4 | -75.1 | 168.9 | 0 | 0 | 0 | 114.3 | I44 F48 P60 L69 L73 M112 | I44-L114 HydrophobicContact CD1-CD1 4.26Å; I44-L114 HydrophobicContact CG1-CD1 4Å; I44-L114 HydrophobicContact CG2-CD1 4.16Å; F48-L114 HydrophobicContact CE1-CD1 4.43Å; F48-L114 HydrophobicContact CZ-CD1 4.3Å; P60-L114 WeakPolarHBondContact CD-O 3.29Å; P60-L114 HydrophobicContact CG-CB 4.46Å; L69-L114 HydrophobicContact CD2-CD1 4.41Å; L73-L114 HydrophobicContact CD1-CB 4.2Å; M112-L114 PolarHBondContact O-N 3.05Å |
| 115 | G | 63.9 | Low | 72.7 | Confident | 19 Ų | 19 | 47.7 Ų | 47.7 | 20% | 0.196 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -139.8 | -4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | H59 M112 R113 | H59-G115 WeakPolarHBondContact CD2-CA 3.32Å; H59-G115 PolarHBondContact CD2-O 3.23Å; M112-G115 PolarHBondContact O-N 2.83Å; R113-G115 PolarHBondContact O-N 3.19Å |
| 116 | V | 66 | Low | 71.7 | Confident | 16 Ų | 16 | 49.3 Ų | 49.3 | 10% | 0.097 | 26% | 0.259 | C | S | . | . | trans | -129.4 | 108.4 | 174.8 | -176.4 | 0 | 0 | 0 | 0 | 109 | L83 M112 | L83-V116 HydrophobicContact CD1-CG1 4.37Å; L83-V116 HydrophobicContact CD2-CG1 4.41Å; M112-V116 HydrophobicContact CE-CG2 3.99Å; M112-V116 PolarHBondContact O-N 2.79Å | ||
| 117 | T | 62.2 | Low | 71.3 | Confident | 77 Ų | 77 | 53.5 Ų | 53.5 | 47% | 0.472 | 28% | 0.284 | S | S | . | . | trans | -73.7 | 126.8 | 169.6 | 33.2 | 0 | 0 | 0 | 0 | 109.5 | S119 F120 | T117-S119 PolarHBondContact O-N 3.38Å; T117-F120 WeakPolarHBondContact O-CD1 3.25Å; T117-F120 WeakPolarHBondContact O-CE1 3.43Å; T117-F120 WeakPolarHBondContact OG1-CD1 3.43Å | ||
| 118 | L | 63.1 | Low | 70.8 | Confident | 37 Ų | 37 | 53.8 Ų | 53.8 | 19% | 0.194 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | 12.7 | 179.8 | -73.1 | 168.6 | 0 | 0 | 0 | 113.2 | L109 L122 L150 V154 | L109-L118 HydrophobicContact CD2-CD2 4.38Å; L118-L122 WeakPolarHBondContact O-CD1 3.31Å; L118-L150 HydrophobicContact CD1-CD2 3.74Å; L118-V154 HydrophobicContact CB-CG2 3.87Å |
| 119 | S | 58 | Low | 70.5 | Confident | 38 Ų | 38 | 53.9 Ų | 53.9 | 27% | 0.266 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | -14.7 | -166.8 | 50.2 | 0 | 0 | 0 | 0 | 115.2 | T117 S121 | T117-S119 PolarHBondContact O-N 3.38Å; S119-S121 VanDerWaalsContact C-N 3.34Å; S119-S121 PolarHBondContact O-N 2.84Å |
| 120 | F | 50.5 | Low | 70.3 | Confident | 149 Ų | 149 | 55.8 Ų | 55.8 | 65% | 0.654 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | 10.7 | -168.7 | 57.5 | -107.9 | 0 | 0 | 0 | 115.9 | T117 | T117-F120 WeakPolarHBondContact O-CD1 3.25Å; T117-F120 WeakPolarHBondContact O-CE1 3.43Å; T117-F120 WeakPolarHBondContact OG1-CD1 3.43Å |
| 121 | S | 53.9 | Low | 70.2 | Confident | 75 Ų | 75 | 56 Ų | 56 | 52% | 0.524 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -162.4 | 44.1 | -178.1 | 49.9 | 0 | 0 | 0 | 0 | 114.3 | S119 | S119-S121 VanDerWaalsContact C-N 3.34Å; S119-S121 PolarHBondContact O-N 2.84Å |
| 122 | L | 61.6 | Low | 70.2 | Confident | 20 Ų | 20 | 56.1 Ų | 56.1 | 11% | 0.105 | 30% | 0.298 | C | S | . | . | trans | -132.2 | 122 | 179.7 | -63.6 | 178.6 | 0 | 0 | 0 | 113.3 | L118 D126 I128 I129 V154 | L118-L122 WeakPolarHBondContact O-CD1 3.31Å; L122-D126 HydrophobicContact CD2-CB 4.27Å; L122-I128 HydrophobicContact CD1-CG2 4.47Å; L122-I128 HydrophobicContact CD2-CB 3.88Å; L122-I128 HydrophobicContact CD2-CD1 3.58Å; L122-I128 HydrophobicContact CD2-CG1 4.32Å; L122-I128 HydrophobicContact CD2-CG2 4.13Å; L122-I129 HydrophobicContact CB-CD1 3.95Å; L122-I129 HydrophobicContact CB-CG1 4.3Å; L122-I129 HydrophobicContact CD1-CD1 4.34Å; L122-I129 HydrophobicContact CD1-CG1 4.01Å; L122-V154 HydrophobicContact CD1-CG1 3.9Å; L122-V154 HydrophobicContact CD1-CG2 3.96Å | ||
| 123 | D | 59.4 | Low | 70.3 | Confident | 127 Ų | 127 | 56.5 Ų | 56.5 | 68% | 0.679 | 30% | 0.3 | S | S | * | . | trans | -97.9 | 174.8 | 176 | -84 | -36.3 | 0 | 0 | 0 | 113.4 | E125 D126 | D123-E125 VanDerWaalsContact C-N 3.29Å; D123-E125 PolarHBondContact O-N 2.86Å; D123-D126 VanDerWaalsContact O-CB 3.3Å; D123-D126 WeakPolarHBondContact O-CB 3.46Å; D123-D126 PolarHBondContact O-N 3.04Å | ||
| 124 | E | 52.9 | Low | 70.9 | Confident | 116 Ų | 116 | 58.9 Ų | 58.9 | 54% | 0.542 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -38.8 | -177.6 | -43.8 | -155.6 | 169.5 | 0 | 0 | 114.1 | D126 N130 I163 | E124-D126 PolarHBondContact O-N 3.32Å; E124-N130 PolarHBondContact O-ND2 3.33Å; E124-I163 HydrophobicContact CB-CG2 3.99Å; E124-I163 HydrophobicContact CG-CD1 4.07Å; E124-I163 HydrophobicContact CG-CG1 4.5Å; E124-I163 HydrophobicContact CG-CG2 3.62Å; E124-I163 WeakPolarHBondContact OE1-CG1 3.39Å |
| 125 | E | 57.9 | Low | 71.8 | Confident | 178 Ų | 178 | 55.9 Ų | 55.9 | 83% | 0.832 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | -6.1 | -174.8 | -59 | -149.9 | 144.4 | 0 | 0 | 112.4 | D123 V127 N130 | D123-E125 VanDerWaalsContact C-N 3.29Å; D123-E125 PolarHBondContact O-N 2.86Å; E125-V127 PolarHBondContact O-N 2.98Å; E125-N130 VanDerWaalsContact C-ND2 3.35Å; E125-N130 PolarHBondContact O-ND2 2.9Å |
| 126 | D | 71.5 | Confident | 73.1 | Confident | 33 Ų | 33 | 55 Ų | 55 | 18% | 0.176 | 29% | 0.287 | C | S | . | . | trans | -58.5 | 134.5 | -164.6 | -143.9 | -53.9 | 0 | 0 | 0 | 113 | L122 D123 E124 I128 I129 N130 | L122-D126 HydrophobicContact CD2-CB 4.27Å; D123-D126 VanDerWaalsContact O-CB 3.3Å; D123-D126 WeakPolarHBondContact O-CB 3.46Å; D123-D126 PolarHBondContact O-N 3.04Å; E124-D126 PolarHBondContact O-N 3.32Å; D126-I128 PolarHBondContact O-N 3.38Å; D126-I128 PolarHBondContact OD1-N 3.03Å; D126-I129 HydrophobicContact CB-CG1 4.46Å; D126-I129 PolarHBondContact O-N 2.71Å; D126-N130 WeakPolarHBondContact O-CB 3.46Å; D126-N130 PolarHBondContact O-N 2.92Å; D126-N130 PolarHBondContact O-ND2 3.2Å | ||
| 127 | V | 81.8 | Confident | 74.4 | Confident | 89 Ų | 89 | 58 Ų | 58 | 54% | 0.539 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -64.1 | -28.7 | -177.3 | -171.5 | 0 | 0 | 0 | 0 | 109.7 | L92 E125 T131 | L92-V127 HydrophobicContact CD1-CB 4Å; L92-V127 HydrophobicContact CD1-CG1 3.81Å; L92-V127 HydrophobicContact CD2-CG1 4.18Å; E125-V127 PolarHBondContact O-N 2.98Å; V127-T131 WeakPolarHBondContact O-CB 3.48Å; V127-T131 PolarHBondContact O-N 2.69Å; V127-T131 PolarHBondContact O-OG1 2.76Å |
| 128 | I | 83.2 | Confident | 75.8 | Confident | 11 Ų | 11 | 55.3 Ų | 55.3 | 6% | 0.056 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.4 | -59.9 | 175.3 | -62.3 | 163.5 | 0 | 0 | 0 | 110.7 | T87 Y88 L92 L122 D126 N130 T131 L132 | T87-I128 HydrophobicContact CG2-CD1 3.42Å; T87-I128 VanDerWaalsContact CG2-CD1 3.42Å; T87-I128 HydrophobicContact CG2-CG1 3.89Å; T87-I128 HydrophobicContact CG2-CG2 4.43Å; Y88-I128 HydrophobicContact CD1-CD1 4.17Å; Y88-I128 HydrophobicContact CD1-CG1 4.49Å; Y88-I128 HydrophobicContact CE1-CD1 3.49Å; Y88-I128 VanDerWaalsContact CE1-CD1 3.49Å; Y88-I128 HydrophobicContact CE1-CG1 4.12Å; Y88-I128 HydrophobicContact CE2-CD1 4.27Å; L92-I128 HydrophobicContact CD1-CG1 4.15Å; L122-I128 HydrophobicContact CD1-CG2 4.47Å; L122-I128 HydrophobicContact CD2-CB 3.88Å; L122-I128 HydrophobicContact CD2-CD1 3.58Å; L122-I128 HydrophobicContact CD2-CG1 4.32Å; L122-I128 HydrophobicContact CD2-CG2 4.13Å; D126-I128 PolarHBondContact O-N 3.38Å; D126-I128 PolarHBondContact OD1-N 3.03Å; I128-N130 VanDerWaalsContact C-N 3.3Å; I128-N130 PolarHBondContact O-N 2.82Å; I128-T131 PolarHBondContact O-N 3.34Å; I128-L132 HydrophobicContact CG2-CD1 4.02Å; I128-L132 HydrophobicContact CG2-CG 4.38Å; I128-L132 WeakPolarHBondContact O-CG 3.25Å; I128-L132 PolarHBondContact O-N 2.82Å |
| 129 | I | 84.7 | Confident | 76.9 | Confident | 3 Ų | 3 | 62.3 Ų | 62.3 | 2% | 0.015 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -55.8 | -48.4 | 179.6 | -65.1 | -173.7 | 0 | 0 | 0 | 110 | L122 D126 T131 L132 Y133 V154 L160 T164 | L122-I129 HydrophobicContact CB-CD1 3.95Å; L122-I129 HydrophobicContact CB-CG1 4.3Å; L122-I129 HydrophobicContact CD1-CD1 4.34Å; L122-I129 HydrophobicContact CD1-CG1 4.01Å; D126-I129 HydrophobicContact CB-CG1 4.46Å; D126-I129 PolarHBondContact O-N 2.71Å; I129-T131 PolarHBondContact O-N 3.38Å; I129-L132 PolarHBondContact O-N 2.77Å; I129-Y133 HydrophobicContact CG2-CD2 3.81Å; I129-Y133 HydrophobicContact CG2-CE2 3.68Å; I129-Y133 VanDerWaalsContact O-CD2 3.29Å; I129-Y133 WeakPolarHBondContact O-CD2 3.39Å; I129-Y133 PolarHBondContact O-N 2.84Å; I129-V154 HydrophobicContact CD1-CG1 4.23Å; I129-V154 HydrophobicContact CG1-CG1 4.38Å; I129-L160 HydrophobicContact CD1-CD1 4.3Å; I129-L160 HydrophobicContact CD1-CD2 4.11Å; I129-T164 HydrophobicContact CG2-CG2 4.24Å |
| 130 | N | 86.2 | Confident | 78.5 | Confident | 47 Ų | 47 | 62.8 Ų | 62.8 | 25% | 0.251 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -68.1 | -18.8 | -178.7 | -70.4 | -63.8 | 0 | 0 | 0 | 113.5 | E124 E125 D126 I128 K134 K167 | E124-N130 PolarHBondContact O-ND2 3.33Å; E125-N130 VanDerWaalsContact C-ND2 3.35Å; E125-N130 PolarHBondContact O-ND2 2.9Å; D126-N130 WeakPolarHBondContact O-CB 3.46Å; D126-N130 PolarHBondContact O-N 2.92Å; D126-N130 PolarHBondContact O-ND2 3.2Å; I128-N130 VanDerWaalsContact C-N 3.3Å; I128-N130 PolarHBondContact O-N 2.82Å; N130-K134 WeakPolarHBondContact O-CD 3.49Å; N130-K134 VanDerWaalsContact O-CE 3.22Å; N130-K134 WeakPolarHBondContact O-CE 3.43Å; N130-K134 VanDerWaalsContact O-CG 3.27Å; N130-K134 WeakPolarHBondContact O-CG 3.41Å; N130-K167 PolarHBondContact OD1-NZ 3.31Å |
| 131 | T | 87.5 | Confident | 80.2 | Confident | 6 Ų | 6 | 59.7 Ų | 59.7 | 4% | 0.037 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -89.2 | -40.4 | 172.4 | -60 | 0 | 0 | 0 | 0 | 111.9 | L92 V127 I128 I129 Y133 K134 L135 | L92-T131 HydrophobicContact CD2-CG2 3.78Å; V127-T131 WeakPolarHBondContact O-CB 3.48Å; V127-T131 PolarHBondContact O-N 2.69Å; V127-T131 PolarHBondContact O-OG1 2.76Å; I128-T131 PolarHBondContact O-N 3.34Å; I129-T131 PolarHBondContact O-N 3.38Å; T131-Y133 VanDerWaalsContact C-N 3.3Å; T131-Y133 PolarHBondContact O-N 2.96Å; T131-K134 WeakPolarHBondContact O-CB 3.42Å; T131-K134 PolarHBondContact O-N 2.85Å; T131-L135 HydrophobicContact CG2-CD1 4.16Å; T131-L135 HydrophobicContact CG2-CG 4.2Å; T131-L135 WeakPolarHBondContact O-CG 3.5Å; T131-L135 PolarHBondContact O-N 3.01Å |
| 132 | L | 89.3 | Confident | 82 | Confident | 4 Ų | 4 | 57.6 Ų | 57.6 | 2% | 0.021 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -56.3 | -42.4 | 173.1 | -72.2 | 176.5 | 0 | 0 | 0 | 111.7 | L91 I128 I129 K134 L135 A136 A147 L150 L151 | L91-L132 HydrophobicContact CD2-CD2 4.27Å; I128-L132 HydrophobicContact CG2-CD1 4.02Å; I128-L132 HydrophobicContact CG2-CG 4.38Å; I128-L132 WeakPolarHBondContact O-CG 3.25Å; I128-L132 PolarHBondContact O-N 2.82Å; I129-L132 PolarHBondContact O-N 2.77Å; L132-K134 PolarHBondContact O-N 3.24Å; L132-L135 PolarHBondContact O-N 3Å; L132-A136 VanDerWaalsContact O-CB 3.27Å; L132-A136 WeakPolarHBondContact O-CB 3.23Å; L132-A136 PolarHBondContact O-N 2.85Å; L132-A147 HydrophobicContact CD2-CB 4.44Å; L132-L150 HydrophobicContact CD1-CB 4.31Å; L132-L150 HydrophobicContact CD2-CB 4Å; L132-L150 HydrophobicContact CD2-CD1 3.98Å; L132-L151 HydrophobicContact CB-CD2 3.7Å; L132-L151 HydrophobicContact CB-CG 3.95Å; L132-L151 HydrophobicContact CD1-CD2 4.4Å |
| 133 | Y | 91.3 | Very high | 83.4 | Confident | 11 Ų | 11 | 56.7 Ų | 56.7 | 4% | 0.043 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.1 | -39.8 | 172.4 | -83 | -70.8 | 0 | 0 | 0 | 113.5 | I129 T131 L137 L151 T164 K167 N168 L171 | I129-Y133 HydrophobicContact CG2-CD2 3.81Å; I129-Y133 HydrophobicContact CG2-CE2 3.68Å; I129-Y133 VanDerWaalsContact O-CD2 3.29Å; I129-Y133 WeakPolarHBondContact O-CD2 3.39Å; I129-Y133 PolarHBondContact O-N 2.84Å; T131-Y133 VanDerWaalsContact C-N 3.3Å; T131-Y133 PolarHBondContact O-N 2.96Å; Y133-L137 VanDerWaalsContact O-CB 3.3Å; Y133-L137 WeakPolarHBondContact O-CB 3.16Å; Y133-L137 WeakPolarHBondContact O-CD1 3.41Å; Y133-L137 WeakPolarHBondContact O-CG 3.44Å; Y133-L137 PolarHBondContact O-N 2.95Å; Y133-L151 HydrophobicContact CD1-CD1 4Å; Y133-L151 HydrophobicContact CD2-CD2 4.03Å; Y133-L151 HydrophobicContact CE1-CD1 4.07Å; Y133-L151 HydrophobicContact CE1-CD2 4.32Å; Y133-L151 HydrophobicContact CE2-CD2 3.81Å; Y133-L151 HydrophobicContact CG-CD1 4.39Å; Y133-L151 HydrophobicContact CG-CD2 4.35Å; Y133-T164 HydrophobicContact CE2-CG2 4Å; Y133-T164 VanDerWaalsContact OH-CB 3.27Å; Y133-T164 WeakPolarHBondContact OH-CB 3.37Å; Y133-T164 PolarHBondContact OH-OG1 2.81Å; Y133-K167 HydrophobicContact CD1-CB 3.91Å; Y133-K167 HydrophobicContact CD2-CB 4.45Å; Y133-K167 HydrophobicContact CD2-CD 3.61Å; Y133-K167 HydrophobicContact CE1-CB 3.64Å; Y133-K167 HydrophobicContact CE2-CB 4.21Å; Y133-K167 HydrophobicContact CE2-CD 3.67Å; Y133-K167 HydrophobicContact CG-CB 4.33Å; Y133-K167 HydrophobicContact CG-CD 4.08Å; Y133-N168 WeakPolarHBondContact CE1-OD1 3.32Å; Y133-N168 PolarHBondContact OH-ND2 2.73Å; Y133-N168 PolarHBondContact OH-OD1 3.15Å; Y133-L171 HydrophobicContact CD1-CD2 3.92Å; Y133-L171 HydrophobicContact CE1-CD2 3.95Å |
| 134 | K | 90.4 | Very high | 85 | Confident | 112 Ų | 112 | 50.7 Ų | 50.7 | 49% | 0.487 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -65 | -44.4 | 176 | -66.5 | 164.7 | -163.5 | 159.5 | 0 | 111.4 | N130 T131 L132 L137 S138 | N130-K134 WeakPolarHBondContact O-CD 3.49Å; N130-K134 VanDerWaalsContact O-CE 3.22Å; N130-K134 WeakPolarHBondContact O-CE 3.43Å; N130-K134 VanDerWaalsContact O-CG 3.27Å; N130-K134 WeakPolarHBondContact O-CG 3.41Å; T131-K134 WeakPolarHBondContact O-CB 3.42Å; T131-K134 PolarHBondContact O-N 2.85Å; L132-K134 PolarHBondContact O-N 3.24Å; K134-L137 PolarHBondContact O-N 2.85Å; K134-S138 PolarHBondContact O-N 3.22Å; K134-S138 VanDerWaalsContact O-N 3.08Å |
| 135 | L | 91.7 | Very high | 87 | Confident | 5 Ų | 5 | 45.2 Ų | 45.2 | 3% | 0.026 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.5 | -44.3 | 178.2 | -65.2 | 179 | 0 | 0 | 0 | 110.9 | L91 P97 V102 T131 L132 L137 S138 T143 N144 A147 | L91-L135 HydrophobicContact CD1-CD1 4.31Å; P97-L135 HydrophobicContact CB-CD2 3.76Å; V102-L135 HydrophobicContact CG1-CD1 3.88Å; V102-L135 HydrophobicContact CG1-CD2 4.19Å; T131-L135 HydrophobicContact CG2-CD1 4.16Å; T131-L135 HydrophobicContact CG2-CG 4.2Å; T131-L135 WeakPolarHBondContact O-CG 3.5Å; T131-L135 PolarHBondContact O-N 3.01Å; L132-L135 PolarHBondContact O-N 3Å; L135-L137 PolarHBondContact O-N 3.35Å; L135-S138 WeakPolarHBondContact O-CB 3.31Å; L135-S138 PolarHBondContact O-N 2.91Å; L135-S138 VanDerWaalsContact O-N 3.17Å; L135-S138 PolarHBondContact O-OG 3.49Å; L135-T143 HydrophobicContact CD1-CG2 4.35Å; L135-T143 HydrophobicContact CD2-CG2 4.04Å; L135-N144 WeakPolarHBondContact O-CA 3.42Å; L135-N144 WeakPolarHBondContact O-CB 3.43Å; L135-A147 HydrophobicContact CB-CB 3.58Å |
| 136 | A | 92.5 | Very high | 88.7 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.8 | -38.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | L132 S138 A147 L148 L151 L171 R178 | L132-A136 VanDerWaalsContact O-CB 3.27Å; L132-A136 WeakPolarHBondContact O-CB 3.23Å; L132-A136 PolarHBondContact O-N 2.85Å; A136-S138 VanDerWaalsContact C-N 3.28Å; A136-S138 PolarHBondContact O-N 2.77Å; A136-A147 HydrophobicContact CB-CB 4.04Å; A136-L148 HydrophobicContact CB-CD2 4.01Å; A136-L148 HydrophobicContact CB-CG 4.11Å; A136-L151 HydrophobicContact CB-CD1 3.63Å; A136-L171 HydrophobicContact CB-CD1 4.43Å; A136-L171 HydrophobicContact CB-CD2 4.05Å; A136-R178 PolarHBondContact O-NH1 3.22Å; A136-R178 PolarHBondContact O-NH2 3.38Å |
| 137 | L | 92.5 | Very high | 89.7 | Confident | 81 Ų | 81 | 35.2 Ų | 35.2 | 42% | 0.424 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -68.6 | -23.2 | 174.8 | -75 | 167.3 | 0 | 0 | 0 | 113.3 | Y133 K134 L135 L171 I174 R178 | Y133-L137 VanDerWaalsContact O-CB 3.3Å; Y133-L137 WeakPolarHBondContact O-CB 3.16Å; Y133-L137 WeakPolarHBondContact O-CD1 3.41Å; Y133-L137 WeakPolarHBondContact O-CG 3.44Å; Y133-L137 PolarHBondContact O-N 2.95Å; K134-L137 PolarHBondContact O-N 2.85Å; L135-L137 PolarHBondContact O-N 3.35Å; L137-L171 HydrophobicContact CD2-CD1 3.94Å; L137-L171 HydrophobicContact CG-CD1 4.36Å; L137-I174 HydrophobicContact CD2-CD1 3.54Å; L137-R178 PolarHBondContact O-NH2 3.3Å; L137-R178 VanDerWaalsContact O-NH2 3.12Å |
| 138 | S | 91 | Very high | 90.3 | Very high | 20 Ų | 20 | 31 Ų | 31 | 14% | 0.14 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -64.7 | 148.9 | 179.3 | 80.3 | 0 | 0 | 0 | 0 | 113.3 | K134 L135 A136 T140 N144 R178 | K134-S138 PolarHBondContact O-N 3.22Å; K134-S138 VanDerWaalsContact O-N 3.08Å; L135-S138 WeakPolarHBondContact O-CB 3.31Å; L135-S138 PolarHBondContact O-N 2.91Å; L135-S138 VanDerWaalsContact O-N 3.17Å; L135-S138 PolarHBondContact O-OG 3.49Å; A136-S138 VanDerWaalsContact C-N 3.28Å; A136-S138 PolarHBondContact O-N 2.77Å; S138-T140 PolarHBondContact O-N 2.76Å; S138-N144 WeakPolarHBondContact O-CB 3.01Å; S138-N144 PolarHBondContact O-ND2 2.89Å; S138-R178 PolarHBondContact O-NH2 3.42Å |
| 139 | E | 87.5 | Confident | 90.6 | Very high | 184 Ų | 184 | 31.4 Ų | 31.4 | 86% | 0.86 | 16% | 0.157 | S | C | * | . | S | Bend | trans | -80.9 | 3.9 | 174.3 | -60.5 | -172.9 | 156.9 | 0 | 0 | 112.7 | E141 | E139-E141 PolarHBondContact O-N 3.2Š|
| 140 | T | 90.3 | Very high | 90.9 | Very high | 47 Ų | 47 | 31.3 Ų | 31.3 | 29% | 0.288 | 16% | 0.157 | S | C | . | . | trans | -90.8 | 103.7 | -169.1 | -23.4 | 0 | 0 | 0 | 0 | 111.5 | P97 S138 T143 N144 | P97-T140 VanDerWaalsContact CG-OG1 3.29Å; P97-T140 WeakPolarHBondContact CG-OG1 3.36Å; S138-T140 PolarHBondContact O-N 2.76Å; T140-T143 PolarHBondContact O-N 3.24Å; T140-N144 VanDerWaalsContact O-CG 3.23Å; T140-N144 PolarHBondContact O-N 2.94Å; T140-N144 PolarHBondContact O-OD1 3.12Å | ||
| 141 | E | 87.5 | Confident | 91 | Very high | 85 Ų | 85 | 29.1 Ų | 29.1 | 40% | 0.397 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | 147.4 | 168.9 | -62.3 | -179.1 | 169.1 | 0 | 0 | 110.9 | E139 N144 Y182 K219 | E139-E141 PolarHBondContact O-N 3.2Å; E141-N144 WeakPolarHBondContact CA-OD1 3.44Å; E141-Y182 VanDerWaalsContact OE1-CE1 3.26Å; E141-Y182 WeakPolarHBondContact OE1-CE1 3.33Å; E141-Y182 PolarHBondContact OE1-OH 2.79Å; E141-K219 IonicContact OE1-NZ 2.79Å; E141-K219 PolarHBondContact OE1-NZ 3.06Å; E141-K219 WeakPolarHBondContact OE2-CE 3.29Å; E141-K219 IonicContact OE2-NZ 3.62Å; E141-K219 PolarHBondContact OE2-NZ 3.15Å |
| 142 | P | 91.5 | Very high | 91 | Very high | 30 Ų | 30 | 28.9 Ų | 28.9 | 20% | 0.195 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -84.8 | -9.1 | -0.1 | 35.8 | -37.1 | 0 | 0 | 0 | 114 | I103 N144 C145 Y146 L214 | I103-P142 HydrophobicContact CG2-CG 3.99Å; P142-N144 VanDerWaalsContact C-N 3.28Å; P142-N144 PolarHBondContact O-N 2.94Å; P142-C145 WeakPolarHBondContact O-CB 3.36Å; P142-C145 PolarHBondContact O-N 2.72Å; P142-Y146 HydrophobicContact CB-CD2 4.29Å; P142-Y146 HydrophobicContact CB-CE1 4.25Å; P142-Y146 HydrophobicContact CB-CE2 3.75Å; P142-Y146 HydrophobicContact CG-CD2 4.32Å; P142-Y146 HydrophobicContact CG-CE2 3.62Å; P142-Y146 PolarHBondContact O-N 3.45Å; P142-Y146 VanDerWaalsContact O-N 3.12Å; P142-L214 HydrophobicContact CB-CB 4.41Å; P142-L214 HydrophobicContact CB-CD2 3.73Å |
| 143 | T | 91.3 | Very high | 90.8 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.006 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -55.2 | -39.1 | -169 | -38.3 | 0 | 0 | 0 | 0 | 113.2 | P97 V102 I103 L135 T140 Y146 A147 | P97-T143 HydrophobicContact CB-CG2 4.37Å; P97-T143 WeakPolarHBondContact O-CB 3.46Å; P97-T143 PolarHBondContact O-OG1 3.36Å; V102-T143 HydrophobicContact CG1-CG2 3.97Å; I103-T143 VanDerWaalsContact CG1-OG1 3.23Å; I103-T143 WeakPolarHBondContact CG1-OG1 3.33Å; L135-T143 HydrophobicContact CD1-CG2 4.35Å; L135-T143 HydrophobicContact CD2-CG2 4.04Å; T140-T143 PolarHBondContact O-N 3.24Å; T143-Y146 PolarHBondContact O-N 3.05Å; T143-A147 VanDerWaalsContact O-CB 3.31Å; T143-A147 WeakPolarHBondContact O-CB 3.27Å; T143-A147 PolarHBondContact O-N 2.85Å |
| 144 | N | 93.2 | Very high | 90.5 | Very high | 2 Ų | 2 | 28.7 Ų | 28.7 | 1% | 0.011 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -66.8 | -34.6 | 177.3 | 63.2 | 0.6 | 0 | 0 | 0 | 113.9 | L135 S138 T140 E141 P142 L148 | L135-N144 WeakPolarHBondContact O-CA 3.42Å; L135-N144 WeakPolarHBondContact O-CB 3.43Å; S138-N144 WeakPolarHBondContact O-CB 3.01Å; S138-N144 PolarHBondContact O-ND2 2.89Å; T140-N144 VanDerWaalsContact O-CG 3.23Å; T140-N144 PolarHBondContact O-N 2.94Å; T140-N144 PolarHBondContact O-OD1 3.12Å; E141-N144 WeakPolarHBondContact CA-OD1 3.44Å; P142-N144 VanDerWaalsContact C-N 3.28Å; P142-N144 PolarHBondContact O-N 2.94Å; N144-L148 VanDerWaalsContact O-CG 3.3Å; N144-L148 WeakPolarHBondContact O-CG 3.26Å; N144-L148 PolarHBondContact O-N 2.91Å; N144-L148 VanDerWaalsContact O-N 3.12Å |
| 145 | C | 93.7 | Very high | 90.3 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -72.6 | -39.8 | 175 | -67.9 | 0 | 0 | 0 | 0 | 111.7 | P142 L148 F149 L214 L222 | P142-C145 WeakPolarHBondContact O-CB 3.36Å; P142-C145 PolarHBondContact O-N 2.72Å; C145-L148 PolarHBondContact O-N 2.9Å; C145-F149 PolarHBondContact O-N 2.81Å; C145-L214 HydrophobicContact CB-CD2 3.78Å; C145-L222 HydrophobicContact CB-CB 4.49Å; C145-L222 HydrophobicContact CB-CD1 3.96Å |
| 146 | Y | 93.8 | Very high | 89.7 | Confident | 2 Ų | 2 | 27.1 Ų | 27.1 | 1% | 0.008 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -63.9 | -46 | 173.2 | -59.6 | -27.7 | 0 | 0 | 0 | 111.1 | I103 S106 R107 P142 T143 L148 F149 L150 L211 L214 L222 | I103-Y146 HydrophobicContact CG2-CE2 4.36Å; S106-Y146 WeakPolarHBondContact OG-CD2 3.41Å; R107-Y146 HydrophobicContact CB-CD2 4.46Å; R107-Y146 HydrophobicContact CB-CE2 3.89Å; P142-Y146 HydrophobicContact CB-CD2 4.29Å; P142-Y146 HydrophobicContact CB-CE1 4.25Å; P142-Y146 HydrophobicContact CB-CE2 3.75Å; P142-Y146 HydrophobicContact CG-CD2 4.32Å; P142-Y146 HydrophobicContact CG-CE2 3.62Å; P142-Y146 PolarHBondContact O-N 3.45Å; P142-Y146 VanDerWaalsContact O-N 3.12Å; T143-Y146 PolarHBondContact O-N 3.05Å; Y146-L148 VanDerWaalsContact C-N 3.3Å; Y146-L148 PolarHBondContact O-N 3.4Å; Y146-F149 PolarHBondContact O-N 3.22Å; Y146-F149 VanDerWaalsContact O-N 3.13Å; Y146-L150 WeakPolarHBondContact O-CG 3.14Å; Y146-L150 PolarHBondContact O-N 3.48Å; Y146-L211 HydrophobicContact CD1-CD2 4.34Å; Y146-L211 HydrophobicContact CE1-CB 3.94Å; Y146-L211 HydrophobicContact CE1-CD2 3.92Å; Y146-L211 HydrophobicContact CE1-CG 4.4Å; Y146-L211 PolarHBondContact OH-O 2.91Å; Y146-L211 VanDerWaalsContact OH-O 3.09Å; Y146-L214 HydrophobicContact CE1-CD1 4.24Å; Y146-L222 HydrophobicContact CD1-CD1 4.02Å; Y146-L222 HydrophobicContact CE1-CD1 4.37Å |
| 147 | A | 92.2 | Very high | 89.2 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -60.8 | -35.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | L132 L135 A136 T143 L151 | L132-A147 HydrophobicContact CD2-CB 4.44Å; L135-A147 HydrophobicContact CB-CB 3.58Å; A136-A147 HydrophobicContact CB-CB 4.04Å; T143-A147 VanDerWaalsContact O-CB 3.31Å; T143-A147 WeakPolarHBondContact O-CB 3.27Å; T143-A147 PolarHBondContact O-N 2.85Å; A147-L151 WeakPolarHBondContact O-CB 3.12Å; A147-L151 VanDerWaalsContact O-CG 3.3Å; A147-L151 WeakPolarHBondContact O-CG 3.48Å; A147-L151 PolarHBondContact O-N 2.9Å |
| 148 | L | 93.9 | Very high | 88.7 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.5 | -45.4 | 172.6 | -76.4 | 168.1 | 0 | 0 | 0 | 112.3 | A136 N144 C145 Y146 L150 L151 G152 L171 V175 Y226 | A136-L148 HydrophobicContact CB-CD2 4.01Å; A136-L148 HydrophobicContact CB-CG 4.11Å; N144-L148 VanDerWaalsContact O-CG 3.3Å; N144-L148 WeakPolarHBondContact O-CG 3.26Å; N144-L148 PolarHBondContact O-N 2.91Å; N144-L148 VanDerWaalsContact O-N 3.12Å; C145-L148 PolarHBondContact O-N 2.9Å; Y146-L148 VanDerWaalsContact C-N 3.3Å; Y146-L148 PolarHBondContact O-N 3.4Å; L148-L150 VanDerWaalsContact C-N 3.34Å; L148-L150 PolarHBondContact O-N 3.31Å; L148-L151 PolarHBondContact O-N 3.1Å; L148-G152 PolarHBondContact O-N 3.37Å; L148-L171 HydrophobicContact CD2-CD1 4.35Å; L148-L171 HydrophobicContact CD2-CD2 4Å; L148-L171 HydrophobicContact CD2-CG 4.31Å; L148-V175 HydrophobicContact CD1-CG2 4Å; L148-V175 HydrophobicContact CD2-CG2 3.49Å; L148-V175 VanDerWaalsContact CD2-CG2 3.49Å; L148-V175 HydrophobicContact CG-CG2 4.42Å; L148-Y226 HydrophobicContact CD2-CD1 3.93Å; L148-Y226 HydrophobicContact CD2-CD2 3.95Å; L148-Y226 HydrophobicContact CD2-CE1 4.37Å; L148-Y226 HydrophobicContact CD2-CE2 4.38Å; L148-Y226 HydrophobicContact CD2-CG 3.71Å; L148-Y226 WeakPolarHBondContact O-CB 2.97Å |
| 149 | F | 91.2 | Very high | 88.3 | Confident | 20 Ų | 20 | 35 Ų | 35 | 9% | 0.088 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.7 | -41.3 | 178.2 | -175.6 | -102.2 | 0 | 0 | 0 | 112.5 | C110 R113 C145 Y146 G152 S153 L222 A225 | C110-F149 HydrophobicContact CB-CD1 3.9Å; C110-F149 HydrophobicContact CB-CE1 4.2Å; C110-F149 WeakPolarHBondContact O-CE1 3.47Å; R113-F149 HydrophobicContact CB-CE1 4.03Å; R113-F149 HydrophobicContact CB-CZ 4.5Å; R113-F149 HydrophobicContact CG-CE1 4.39Å; C145-F149 PolarHBondContact O-N 2.81Å; Y146-F149 PolarHBondContact O-N 3.22Å; Y146-F149 VanDerWaalsContact O-N 3.13Å; F149-G152 PolarHBondContact O-N 2.71Å; F149-S153 PolarHBondContact O-N 3.04Å; F149-S153 PolarHBondContact O-OG 2.8Å; F149-L222 HydrophobicContact CB-CB 4.2Å; F149-L222 HydrophobicContact CB-CD2 3.67Å; F149-L222 HydrophobicContact CB-CG 4.44Å; F149-L222 HydrophobicContact CD1-CD2 4.3Å; F149-L222 HydrophobicContact CD2-CD2 3.44Å; F149-L222 VanDerWaalsContact CD2-CD2 3.44Å; F149-L222 HydrophobicContact CE2-CD2 4.09Å; F149-L222 HydrophobicContact CG-CD2 3.55Å; F149-A225 HydrophobicContact CD2-CB 3.57Å; F149-A225 HydrophobicContact CE2-CB 3.94Å |
| 150 | L | 89.6 | Confident | 88.1 | Confident | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.005 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -67 | -40.5 | 176.3 | -63.5 | 175.2 | 0 | 0 | 0 | 112.1 | L109 L118 L132 Y146 L148 G152 S153 V154 | L109-L150 HydrophobicContact CB-CD1 4.11Å; L109-L150 HydrophobicContact CB-CD2 3.76Å; L109-L150 HydrophobicContact CD1-CD1 4.45Å; L118-L150 HydrophobicContact CD1-CD2 3.74Å; L132-L150 HydrophobicContact CD1-CB 4.31Å; L132-L150 HydrophobicContact CD2-CB 4Å; L132-L150 HydrophobicContact CD2-CD1 3.98Å; Y146-L150 WeakPolarHBondContact O-CG 3.14Å; Y146-L150 PolarHBondContact O-N 3.48Å; L148-L150 VanDerWaalsContact C-N 3.34Å; L148-L150 PolarHBondContact O-N 3.31Å; L150-G152 VanDerWaalsContact C-N 3.31Å; L150-G152 PolarHBondContact O-N 3.49Å; L150-S153 WeakPolarHBondContact CA-OG 3.21Å; L150-S153 PolarHBondContact O-N 3.05Å; L150-S153 PolarHBondContact O-OG 2.75Å; L150-V154 WeakPolarHBondContact O-CG2 3.12Å; L150-V154 PolarHBondContact O-N 2.84Å |
| 151 | L | 89.9 | Confident | 87.8 | Confident | 1 Ų | 1 | 24.7 Ų | 24.7 | 1% | 0.005 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -59.5 | -41.4 | 171 | -77.6 | 172.6 | 0 | 0 | 0 | 111.4 | L132 Y133 A136 A147 L148 S153 V154 L155 L171 Y226 | L132-L151 HydrophobicContact CB-CD2 3.7Å; L132-L151 HydrophobicContact CB-CG 3.95Å; L132-L151 HydrophobicContact CD1-CD2 4.4Å; Y133-L151 HydrophobicContact CD1-CD1 4Å; Y133-L151 HydrophobicContact CD2-CD2 4.03Å; Y133-L151 HydrophobicContact CE1-CD1 4.07Å; Y133-L151 HydrophobicContact CE1-CD2 4.32Å; Y133-L151 HydrophobicContact CE2-CD2 3.81Å; Y133-L151 HydrophobicContact CG-CD1 4.39Å; Y133-L151 HydrophobicContact CG-CD2 4.35Å; A136-L151 HydrophobicContact CB-CD1 3.63Å; A147-L151 WeakPolarHBondContact O-CB 3.12Å; A147-L151 VanDerWaalsContact O-CG 3.3Å; A147-L151 WeakPolarHBondContact O-CG 3.48Å; A147-L151 PolarHBondContact O-N 2.9Å; L148-L151 PolarHBondContact O-N 3.1Å; L151-S153 PolarHBondContact O-N 3.46Å; L151-V154 PolarHBondContact O-N 2.94Å; L151-V154 VanDerWaalsContact O-N 3.14Å; L151-L155 HydrophobicContact CB-CD1 4.27Å; L151-L155 VanDerWaalsContact O-CB 3.31Å; L151-L155 WeakPolarHBondContact O-CB 3.5Å; L151-L155 WeakPolarHBondContact O-CG 3.49Å; L151-L155 PolarHBondContact O-N 2.84Å; L151-L171 HydrophobicContact CD1-CD2 3.91Å; L151-Y226 HydrophobicContact CB-CD2 3.93Å; L151-Y226 HydrophobicContact CB-CE2 4.26Å; L151-Y226 HydrophobicContact CD1-CE2 4.4Å |
| 152 | G | 87.8 | Confident | 87.7 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -51.7 | -55.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L148 F149 L150 V154 L155 D156 | L148-G152 PolarHBondContact O-N 3.37Å; F149-G152 PolarHBondContact O-N 2.71Å; L150-G152 VanDerWaalsContact C-N 3.31Å; L150-G152 PolarHBondContact O-N 3.49Å; G152-V154 PolarHBondContact O-N 2.66Å; G152-V154 VanDerWaalsContact O-N 3.16Å; G152-L155 PolarHBondContact O-N 3.49Å; G152-L155 VanDerWaalsContact O-N 3.13Å; G152-D156 PolarHBondContact O-N 3.04Å; G152-D156 VanDerWaalsContact O-N 3.11Å |
| 153 | S | 84.4 | Confident | 87.4 | Confident | 10 Ų | 10 | 29.8 Ų | 29.8 | 7% | 0.07 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -63 | -17.5 | 178.2 | 39.1 | 0 | 0 | 0 | 0 | 116.5 | F149 L150 L151 D156 | F149-S153 PolarHBondContact O-N 3.04Å; F149-S153 PolarHBondContact O-OG 2.8Å; L150-S153 WeakPolarHBondContact CA-OG 3.21Å; L150-S153 PolarHBondContact O-N 3.05Å; L150-S153 PolarHBondContact O-OG 2.75Å; L151-S153 PolarHBondContact O-N 3.46Å; S153-D156 WeakPolarHBondContact CA-OD2 3.36Å |
| 154 | V | 84.7 | Confident | 87.2 | Confident | 2 Ų | 2 | 29.9 Ų | 29.9 | 1% | 0.012 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -92.5 | -32 | 175.3 | 172.9 | 0 | 0 | 0 | 0 | 110.8 | L118 L122 I129 L150 L151 G152 D156 N157 L160 | L118-V154 HydrophobicContact CB-CG2 3.87Å; L122-V154 HydrophobicContact CD1-CG1 3.9Å; L122-V154 HydrophobicContact CD1-CG2 3.96Å; I129-V154 HydrophobicContact CD1-CG1 4.23Å; I129-V154 HydrophobicContact CG1-CG1 4.38Å; L150-V154 WeakPolarHBondContact O-CG2 3.12Å; L150-V154 PolarHBondContact O-N 2.84Å; L151-V154 PolarHBondContact O-N 2.94Å; L151-V154 VanDerWaalsContact O-N 3.14Å; G152-V154 PolarHBondContact O-N 2.66Å; G152-V154 VanDerWaalsContact O-N 3.16Å; V154-D156 VanDerWaalsContact C-N 3.32Å; V154-N157 PolarHBondContact O-N 3.03Å; V154-L160 HydrophobicContact CG1-CD1 3.86Å |
| 155 | L | 87.1 | Confident | 87.1 | Confident | 2 Ų | 2 | 33.3 Ų | 33.3 | 1% | 0.01 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -85.7 | -2.4 | -179.2 | -63.5 | 172.5 | 0 | 0 | 0 | 113.7 | L151 G152 N157 L161 T164 Y226 P229 L230 | L151-L155 HydrophobicContact CB-CD1 4.27Å; L151-L155 VanDerWaalsContact O-CB 3.31Å; L151-L155 WeakPolarHBondContact O-CB 3.5Å; L151-L155 WeakPolarHBondContact O-CG 3.49Å; L151-L155 PolarHBondContact O-N 2.84Å; G152-L155 PolarHBondContact O-N 3.49Å; G152-L155 VanDerWaalsContact O-N 3.13Å; L155-N157 PolarHBondContact O-N 2.69Å; L155-L161 HydrophobicContact CB-CD1 4.4Å; L155-L161 HydrophobicContact CD2-CD1 4.36Å; L155-T164 HydrophobicContact CD2-CG2 4.35Å; L155-T164 WeakPolarHBondContact CD2-OG1 3.41Å; L155-Y226 HydrophobicContact CD1-CD2 4.43Å; L155-Y226 HydrophobicContact CD1-CE2 3.93Å; L155-P229 HydrophobicContact CB-CG 4.44Å; L155-L230 HydrophobicContact CB-CD1 4.08Å; L155-L230 HydrophobicContact CD1-CD1 3.99Å |
| 156 | D | 79.2 | Confident | 86.9 | Confident | 81 Ų | 81 | 39 Ų | 39 | 43% | 0.433 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -19.2 | 161 | -62.7 | -27.2 | 0 | 0 | 0 | 111.2 | R113 G152 S153 V154 P229 | R113-D156 IonicContact CZ-OD2 3.92Å; R113-D156 IonicContact NH2-OD1 2.83Å; R113-D156 IonicContact NH2-OD2 3.6Å; R113-D156 PolarHBondContact NH2-OD2 2.97Å; G152-D156 PolarHBondContact O-N 3.04Å; G152-D156 VanDerWaalsContact O-N 3.11Å; S153-D156 WeakPolarHBondContact CA-OD2 3.36Å; V154-D156 VanDerWaalsContact C-N 3.32Å; D156-P229 WeakPolarHBondContact OD1-CG 3.39Å |
| 157 | N | 81.5 | Confident | 86.8 | Confident | 57 Ų | 57 | 42.1 Ų | 42.1 | 31% | 0.305 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -81.6 | 117.8 | 167.5 | 176.8 | -28.1 | 0 | 0 | 0 | 111 | V154 L155 E159 L160 L161 | V154-N157 PolarHBondContact O-N 3.03Å; L155-N157 PolarHBondContact O-N 2.69Å; N157-E159 PolarHBondContact O-N 3.23Å; N157-E159 PolarHBondContact OD1-N 3.45Å; N157-L160 HydrophobicContact CB-CB 4.23Å; N157-L160 HydrophobicContact CB-CD1 4.21Å; N157-L160 HydrophobicContact CB-CG 4.37Å; N157-L160 PolarHBondContact O-N 2.88Å; N157-L160 PolarHBondContact OD1-N 2.58Å; N157-L161 WeakPolarHBondContact O-CB 3.45Å; N157-L161 PolarHBondContact O-N 2.9Å |
| 158 | T | 81.4 | Confident | 86.8 | Confident | 100 Ų | 100 | 42.1 Ų | 42.1 | 61% | 0.613 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -68.6 | -30.1 | -174.6 | 57.7 | 0 | 0 | 0 | 0 | 114.7 | L161 Y162 | T158-L161 PolarHBondContact O-N 3.13Å; T158-Y162 PolarHBondContact O-N 2.64Å |
| 159 | E | 83.1 | Confident | 86.7 | Confident | 110 Ų | 110 | 43.5 Ų | 43.5 | 51% | 0.514 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -72.6 | -43 | 175.6 | -62.4 | -156.7 | 144.5 | 0 | 0 | 110.1 | N157 L161 Y162 I163 R1640 | N157-E159 PolarHBondContact O-N 3.23Å; N157-E159 PolarHBondContact OD1-N 3.45Å; E159-L161 VanDerWaalsContact C-N 3.3Å; E159-L161 PolarHBondContact O-N 3.26Å; E159-Y162 WeakPolarHBondContact O-CB 3.4Å; E159-Y162 PolarHBondContact O-N 3.24Å; E159-I163 VanDerWaalsContact O-CD1 3.29Å; E159-I163 WeakPolarHBondContact O-CD1 3.44Å; E159-I163 VanDerWaalsContact O-CG1 3.23Å; E159-I163 WeakPolarHBondContact O-CG1 3.31Å; E159-I163 PolarHBondContact O-N 3.32Å; E159-R1640 IonicContact OE1-CZ 2.71Å; E159-R1640 IonicContact OE1-NH1 3.08Å; E159-R1640 IonicContact OE1-NH2 2.71Å; E159-R1640 PolarHBondContact OE1-NH2 3.04Å |
| 160 | L | 82.8 | Confident | 86.7 | Confident | 10 Ų | 10 | 48.2 Ų | 48.2 | 5% | 0.052 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.8 | -34.2 | 171.3 | -71.3 | 179.9 | 0 | 0 | 0 | 112.7 | I129 V154 N157 I163 T164 | I129-L160 HydrophobicContact CD1-CD1 4.3Å; I129-L160 HydrophobicContact CD1-CD2 4.11Å; V154-L160 HydrophobicContact CG1-CD1 3.86Å; N157-L160 HydrophobicContact CB-CB 4.23Å; N157-L160 HydrophobicContact CB-CD1 4.21Å; N157-L160 HydrophobicContact CB-CG 4.37Å; N157-L160 PolarHBondContact O-N 2.88Å; N157-L160 PolarHBondContact OD1-N 2.58Å; L160-I163 PolarHBondContact O-N 2.74Å; L160-T164 WeakPolarHBondContact O-CB 3.41Å; L160-T164 VanDerWaalsContact O-CG2 3.29Å; L160-T164 WeakPolarHBondContact O-CG2 3.45Å; L160-T164 PolarHBondContact O-N 2.78Å; L160-T164 PolarHBondContact O-OG1 2.81Å |
| 161 | L | 84.7 | Confident | 86.9 | Confident | 5 Ų | 5 | 48.2 Ų | 48.2 | 3% | 0.026 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -66.9 | -41.1 | 175.1 | -177.5 | 55.6 | 0 | 0 | 0 | 112.5 | L155 N157 T158 E159 R165 L230 Y233 L236 | L155-L161 HydrophobicContact CB-CD1 4.4Å; L155-L161 HydrophobicContact CD2-CD1 4.36Å; N157-L161 WeakPolarHBondContact O-CB 3.45Å; N157-L161 PolarHBondContact O-N 2.9Å; T158-L161 PolarHBondContact O-N 3.13Å; E159-L161 VanDerWaalsContact C-N 3.3Å; E159-L161 PolarHBondContact O-N 3.26Å; L161-R165 PolarHBondContact O-N 3.34Å; L161-R165 VanDerWaalsContact O-N 3.09Å; L161-L230 HydrophobicContact CD1-CD1 3.56Å; L161-L230 HydrophobicContact CD1-CG 3.98Å; L161-Y233 HydrophobicContact CD2-CD2 4.05Å; L161-Y233 HydrophobicContact CD2-CG 4.06Å; L161-Y233 HydrophobicContact CG-CD2 4.25Å; L161-Y233 HydrophobicContact CG-CG 4.27Å; L161-L236 HydrophobicContact CD1-CD1 3.7Å; L161-L236 HydrophobicContact CG-CD1 4.39Å |
| 162 | Y | 85.5 | Confident | 87 | Confident | 159 Ų | 159 | 48.2 Ų | 48.2 | 62% | 0.624 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -59.1 | -49.4 | 173.1 | 179.5 | -84.5 | 0 | 0 | 0 | 111.3 | T158 E159 R165 Y233 | T158-Y162 PolarHBondContact O-N 2.64Å; E159-Y162 WeakPolarHBondContact O-CB 3.4Å; E159-Y162 PolarHBondContact O-N 3.24Å; Y162-R165 WeakPolarHBondContact O-CB 3.44Å; Y162-R165 PolarHBondContact O-N 3.15Å; Y162-Y233 WeakPolarHBondContact CD2-OH 3.38Å |
| 163 | I | 85.6 | Confident | 87.2 | Confident | 63 Ų | 63 | 50.8 Ų | 50.8 | 32% | 0.323 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62.8 | -50.8 | -178.5 | -70.7 | 162 | 0 | 0 | 0 | 111.1 | E124 E159 L160 R165 | E124-I163 HydrophobicContact CB-CG2 3.99Å; E124-I163 HydrophobicContact CG-CD1 4.07Å; E124-I163 HydrophobicContact CG-CG1 4.5Å; E124-I163 HydrophobicContact CG-CG2 3.62Å; E124-I163 WeakPolarHBondContact OE1-CG1 3.39Å; E159-I163 VanDerWaalsContact O-CD1 3.29Å; E159-I163 WeakPolarHBondContact O-CD1 3.44Å; E159-I163 VanDerWaalsContact O-CG1 3.23Å; E159-I163 WeakPolarHBondContact O-CG1 3.31Å; E159-I163 PolarHBondContact O-N 3.32Å; L160-I163 PolarHBondContact O-N 2.74Å; I163-R165 VanDerWaalsContact C-N 3.26Å; I163-R165 PolarHBondContact O-N 2.88Å |
| 164 | T | 87 | Confident | 87.7 | Confident | 3 Ų | 3 | 53.4 Ų | 53.4 | 2% | 0.018 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -79.8 | -3.9 | -175.6 | 61 | 0 | 0 | 0 | 0 | 114.1 | I129 Y133 L155 L160 Q166 K167 N168 | I129-T164 HydrophobicContact CG2-CG2 4.24Å; Y133-T164 HydrophobicContact CE2-CG2 4Å; Y133-T164 VanDerWaalsContact OH-CB 3.27Å; Y133-T164 WeakPolarHBondContact OH-CB 3.37Å; Y133-T164 PolarHBondContact OH-OG1 2.81Å; L155-T164 HydrophobicContact CD2-CG2 4.35Å; L155-T164 WeakPolarHBondContact CD2-OG1 3.41Å; L160-T164 WeakPolarHBondContact O-CB 3.41Å; L160-T164 VanDerWaalsContact O-CG2 3.29Å; L160-T164 WeakPolarHBondContact O-CG2 3.45Å; L160-T164 PolarHBondContact O-N 2.78Å; L160-T164 PolarHBondContact O-OG1 2.81Å; T164-Q166 PolarHBondContact O-N 2.98Å; T164-K167 WeakPolarHBondContact O-CA 3.13Å; T164-K167 VanDerWaalsContact O-CB 3.31Å; T164-K167 WeakPolarHBondContact O-CB 3.33Å; T164-K167 PolarHBondContact O-N 3.33Å; T164-N168 PolarHBondContact O-N 2.87Å; T164-N168 VanDerWaalsContact O-N 3.11Å; T164-N168 PolarHBondContact OG1-ND2 2.91Å |
| 165 | R | 89.6 | Confident | 88.1 | Confident | 73 Ų | 73 | 53.3 Ų | 53.3 | 28% | 0.275 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -37.1 | -48.8 | -179.6 | -179.8 | -168.2 | 172.1 | 163.7 | 9.4 | 114.3 | L161 Y162 I163 K167 N168 I169 Y233 D235 L236 | L161-R165 PolarHBondContact O-N 3.34Å; L161-R165 VanDerWaalsContact O-N 3.09Å; Y162-R165 WeakPolarHBondContact O-CB 3.44Å; Y162-R165 PolarHBondContact O-N 3.15Å; I163-R165 VanDerWaalsContact C-N 3.26Å; I163-R165 PolarHBondContact O-N 2.88Å; R165-K167 VanDerWaalsContact C-N 3.3Å; R165-K167 PolarHBondContact O-N 3.33Å; R165-N168 WeakPolarHBondContact O-CB 3.45Å; R165-N168 PolarHBondContact O-N 3.12Å; R165-N168 VanDerWaalsContact O-N 3.12Å; R165-I169 HydrophobicContact CG-CD1 4.09Å; R165-I169 WeakPolarHBondContact O-CG1 3.46Å; R165-I169 PolarHBondContact O-N 3.16Å; R165-Y233 HydrophobicContact CG-CE1 4.5Å; R165-D235 IonicContact CZ-OD1 3.63Å; R165-D235 IonicContact CZ-OD2 2.75Å; R165-D235 VanDerWaalsContact CZ-OD2 3.23Å; R165-D235 IonicContact NH1-OD1 3.73Å; R165-D235 IonicContact NH1-OD2 2.72Å; R165-D235 PolarHBondContact NH1-OD2 3.39Å; R165-D235 PolarHBondContact NH2-O 2.84Å; R165-D235 IonicContact NH2-OD1 3.77Å; R165-D235 PolarHBondContact NH2-OD1 2.94Å; R165-D235 IonicContact NH2-OD2 2.94Å; R165-D235 PolarHBondContact NH2-OD2 3.02Å; R165-L236 HydrophobicContact CG-CD2 3.95Å; R165-L236 HydrophobicContact CG-CG 4.27Å |
| 166 | Q | 90.2 | Very high | 88.4 | Confident | 120 Ų | 120 | 53.4 Ų | 53.4 | 56% | 0.561 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -70.2 | -23.7 | -176.7 | -172.6 | 58.7 | 23.7 | 0 | 0 | 113.6 | T164 Q170 | T164-Q166 PolarHBondContact O-N 2.98Å; Q166-Q170 PolarHBondContact O-NE2 3.17Å |
| 167 | K | 90.9 | Very high | 89.1 | Confident | 67 Ų | 67 | 54.5 Ų | 54.5 | 29% | 0.291 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -74.2 | -43.6 | 168.3 | -54.3 | 177.1 | -170.2 | 172.4 | 0 | 109.5 | N130 Y133 T164 R165 I169 Q170 L171 | N130-K167 PolarHBondContact OD1-NZ 3.31Å; Y133-K167 HydrophobicContact CD1-CB 3.91Å; Y133-K167 HydrophobicContact CD2-CB 4.45Å; Y133-K167 HydrophobicContact CD2-CD 3.61Å; Y133-K167 HydrophobicContact CE1-CB 3.64Å; Y133-K167 HydrophobicContact CE2-CB 4.21Å; Y133-K167 HydrophobicContact CE2-CD 3.67Å; Y133-K167 HydrophobicContact CG-CB 4.33Å; Y133-K167 HydrophobicContact CG-CD 4.08Å; T164-K167 WeakPolarHBondContact O-CA 3.13Å; T164-K167 VanDerWaalsContact O-CB 3.31Å; T164-K167 WeakPolarHBondContact O-CB 3.33Å; T164-K167 PolarHBondContact O-N 3.33Å; R165-K167 VanDerWaalsContact C-N 3.3Å; R165-K167 PolarHBondContact O-N 3.33Å; K167-I169 PolarHBondContact O-N 2.88Å; K167-Q170 PolarHBondContact O-N 2.94Å; K167-Q170 VanDerWaalsContact O-N 3.13Å; K167-L171 PolarHBondContact O-N 3.34Å |
| 168 | N | 92.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.2 | -40.8 | 179.3 | -63 | -32.1 | 0 | 0 | 0 | 113 | Y133 T164 R165 Q170 L171 I172 Y226 L230 L236 | Y133-N168 WeakPolarHBondContact CE1-OD1 3.32Å; Y133-N168 PolarHBondContact OH-ND2 2.73Å; Y133-N168 PolarHBondContact OH-OD1 3.15Å; T164-N168 PolarHBondContact O-N 2.87Å; T164-N168 VanDerWaalsContact O-N 3.11Å; T164-N168 PolarHBondContact OG1-ND2 2.91Å; R165-N168 WeakPolarHBondContact O-CB 3.45Å; R165-N168 PolarHBondContact O-N 3.12Å; R165-N168 VanDerWaalsContact O-N 3.12Å; N168-Q170 PolarHBondContact O-N 3.24Å; N168-L171 PolarHBondContact O-N 2.69Å; N168-L171 VanDerWaalsContact O-N 3.12Å; N168-I172 WeakPolarHBondContact O-CB 3.38Å; N168-I172 WeakPolarHBondContact O-CD1 3.42Å; N168-I172 VanDerWaalsContact O-CG1 3.25Å; N168-I172 WeakPolarHBondContact O-CG1 3.38Å; N168-I172 PolarHBondContact O-N 2.8Å; N168-Y226 PolarHBondContact OD1-OH 3.21Å; N168-L230 HydrophobicContact CB-CD2 4.18Å; N168-L236 HydrophobicContact CB-CD1 4.03Å; N168-L236 HydrophobicContact CB-CD2 4.04Å |
| 169 | I | 92.2 | Very high | 90.3 | Very high | 30 Ų | 30 | 48.3 Ų | 48.3 | 15% | 0.154 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -54.7 | -34.3 | 173.4 | -72.6 | 172 | 0 | 0 | 0 | 112.3 | R165 K167 P173 L236 F239 | R165-I169 HydrophobicContact CG-CD1 4.09Å; R165-I169 WeakPolarHBondContact O-CG1 3.46Å; R165-I169 PolarHBondContact O-N 3.16Å; K167-I169 PolarHBondContact O-N 2.88Å; I169-P173 VanDerWaalsContact O-CD 3.22Å; I169-P173 WeakPolarHBondContact O-CD 3.24Å; I169-L236 HydrophobicContact CD1-CD2 4.37Å; I169-L236 HydrophobicContact CG1-CD2 3.53Å; I169-F239 HydrophobicContact CD1-CE2 4.03Å; I169-F239 HydrophobicContact CD1-CZ 4.09Å; I169-F239 HydrophobicContact CG1-CD2 4.19Å; I169-F239 HydrophobicContact CG1-CE2 3.84Å; I169-F239 HydrophobicContact CG1-CZ 4.05Å; I169-F239 HydrophobicContact CG2-CD1 4.23Å; I169-F239 HydrophobicContact CG2-CE1 3.78Å; I169-F239 HydrophobicContact CG2-CZ 3.94Å |
| 170 | Q | 90.8 | Very high | 90.9 | Very high | 119 Ų | 119 | 47.5 Ų | 47.5 | 56% | 0.556 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -83.4 | -34.3 | 178.7 | -66.2 | 171.6 | 68.4 | 0 | 0 | 112.4 | Q166 K167 N168 I174 | Q166-Q170 PolarHBondContact O-NE2 3.17Å; K167-Q170 PolarHBondContact O-N 2.94Å; K167-Q170 VanDerWaalsContact O-N 3.13Å; N168-Q170 PolarHBondContact O-N 3.24Å; Q170-I174 WeakPolarHBondContact O-CD1 3.13Å |
| 171 | L | 93.5 | Very high | 91.4 | Very high | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -80 | -35.7 | -177.1 | -176.5 | 56 | 0 | 0 | 0 | 112.9 | Y133 A136 L137 L148 L151 K167 N168 I174 V175 Y226 | Y133-L171 HydrophobicContact CD1-CD2 3.92Å; Y133-L171 HydrophobicContact CE1-CD2 3.95Å; A136-L171 HydrophobicContact CB-CD1 4.43Å; A136-L171 HydrophobicContact CB-CD2 4.05Å; L137-L171 HydrophobicContact CD2-CD1 3.94Å; L137-L171 HydrophobicContact CG-CD1 4.36Å; L148-L171 HydrophobicContact CD2-CD1 4.35Å; L148-L171 HydrophobicContact CD2-CD2 4Å; L148-L171 HydrophobicContact CD2-CG 4.31Å; L151-L171 HydrophobicContact CD1-CD2 3.91Å; K167-L171 PolarHBondContact O-N 3.34Å; N168-L171 PolarHBondContact O-N 2.69Å; N168-L171 VanDerWaalsContact O-N 3.12Å; L171-I174 WeakPolarHBondContact O-CB 3.41Å; L171-I174 PolarHBondContact O-N 3.33Å; L171-V175 HydrophobicContact CD1-CG2 3.96Å; L171-V175 HydrophobicContact CG-CG2 3.97Å; L171-V175 WeakPolarHBondContact O-CG2 3.2Å; L171-V175 PolarHBondContact O-N 3.46Å; L171-Y226 HydrophobicContact CD2-CE1 4.4Å; L171-Y226 HydrophobicContact CD2-CE2 3.8Å; L171-Y226 HydrophobicContact CG-CE1 4.26Å |
| 172 | I | 93.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -51.6 | -53 | -179.9 | -73.4 | 160.8 | 0 | 0 | 0 | 112.3 | N168 I174 V175 L176 Y226 L227 L230 L236 F239 M240 | N168-I172 WeakPolarHBondContact O-CB 3.38Å; N168-I172 WeakPolarHBondContact O-CD1 3.42Å; N168-I172 VanDerWaalsContact O-CG1 3.25Å; N168-I172 WeakPolarHBondContact O-CG1 3.38Å; N168-I172 PolarHBondContact O-N 2.8Å; I172-I174 PolarHBondContact O-N 2.79Å; I172-V175 PolarHBondContact O-N 2.91Å; I172-L176 HydrophobicContact CG2-CD1 3.78Å; I172-L176 HydrophobicContact CG2-CG 4.42Å; I172-L176 WeakPolarHBondContact O-CG 3.34Å; I172-L176 PolarHBondContact O-N 3.31Å; I172-Y226 HydrophobicContact CG1-CE1 4.38Å; I172-L227 HydrophobicContact CG1-CD2 4.38Å; I172-L230 HydrophobicContact CD1-CD2 4.09Å; I172-L230 HydrophobicContact CG1-CD2 4.01Å; I172-L236 HydrophobicContact CD1-CB 4.24Å; I172-L236 HydrophobicContact CD1-CD2 4.03Å; I172-F239 HydrophobicContact CD1-CB 4.32Å; I172-F239 HydrophobicContact CG2-CB 3.95Å; I172-M240 HydrophobicContact CD1-CG 4.16Å; I172-M240 HydrophobicContact CD1-SD 4.49Å; I172-M240 HydrophobicContact CG1-CG 4.29Å; I172-M240 HydrophobicContact CG2-CB 4.46Å; I172-M240 HydrophobicContact CG2-CG 3.6Å |
| 173 | P | 92.5 | Very high | 92.2 | Very high | 55 Ų | 55 | 43.7 Ų | 43.7 | 36% | 0.357 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -61.2 | -30.9 | 178.7 | -24.6 | 35.3 | 0 | 0 | 0 | 113.8 | I169 N177 | I169-P173 VanDerWaalsContact O-CD 3.22Å; I169-P173 WeakPolarHBondContact O-CD 3.24Å; P173-N177 PolarHBondContact O-N 3.11Å; P173-N177 VanDerWaalsContact O-N 3.16Å; P173-N177 PolarHBondContact O-ND2 2.75Å |
| 174 | I | 93.4 | Very high | 92.5 | Very high | 64 Ų | 64 | 42.1 Ų | 42.1 | 33% | 0.328 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -71.5 | -44.9 | 178.2 | -61.4 | 169.8 | 0 | 0 | 0 | 109.8 | L137 Q170 L171 I172 L176 N177 R178 | L137-I174 HydrophobicContact CD2-CD1 3.54Å; Q170-I174 WeakPolarHBondContact O-CD1 3.13Å; L171-I174 WeakPolarHBondContact O-CB 3.41Å; L171-I174 PolarHBondContact O-N 3.33Å; I172-I174 PolarHBondContact O-N 2.79Å; I174-L176 VanDerWaalsContact C-N 3.34Å; I174-L176 PolarHBondContact O-N 3.14Å; I174-N177 PolarHBondContact O-N 3.24Å; I174-R178 WeakPolarHBondContact O-CG 3.24Å; I174-R178 PolarHBondContact O-N 2.83Å |
| 175 | V | 94.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.6 | -41.1 | 176.4 | 176.8 | 0 | 0 | 0 | 0 | 111.3 | L148 L171 I172 R178 L179 Y226 L227 | L148-V175 HydrophobicContact CD1-CG2 4Å; L148-V175 HydrophobicContact CD2-CG2 3.49Å; L148-V175 VanDerWaalsContact CD2-CG2 3.49Å; L148-V175 HydrophobicContact CG-CG2 4.42Å; L171-V175 HydrophobicContact CD1-CG2 3.96Å; L171-V175 HydrophobicContact CG-CG2 3.97Å; L171-V175 WeakPolarHBondContact O-CG2 3.2Å; L171-V175 PolarHBondContact O-N 3.46Å; I172-V175 PolarHBondContact O-N 2.91Å; V175-R178 PolarHBondContact O-N 3Å; V175-L179 HydrophobicContact CG1-CD1 4.01Å; V175-L179 HydrophobicContact CG1-CG 4.41Å; V175-L179 WeakPolarHBondContact O-CB 3.29Å; V175-L179 WeakPolarHBondContact O-CG 3.43Å; V175-L179 PolarHBondContact O-N 2.88Å; V175-Y226 HydrophobicContact CB-CD1 4.47Å; V175-Y226 HydrophobicContact CG1-CD1 4.22Å; V175-Y226 HydrophobicContact CG2-CD1 3.96Å; V175-Y226 HydrophobicContact CG2-CE1 3.92Å; V175-L227 HydrophobicContact CG1-CD1 4.29Å; V175-L227 HydrophobicContact CG1-CD2 4.43Å; V175-L227 HydrophobicContact CG1-CG 4.32Å |
| 176 | L | 93.7 | Very high | 92.7 | Very high | 5 Ų | 5 | 41.8 Ų | 41.8 | 3% | 0.026 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65.5 | -39.5 | 177.3 | -64.6 | 169.3 | 0 | 0 | 0 | 112.6 | I172 I174 R178 L179 L180 L227 I245 L248 | I172-L176 HydrophobicContact CG2-CD1 3.78Å; I172-L176 HydrophobicContact CG2-CG 4.42Å; I172-L176 WeakPolarHBondContact O-CG 3.34Å; I172-L176 PolarHBondContact O-N 3.31Å; I174-L176 VanDerWaalsContact C-N 3.34Å; I174-L176 PolarHBondContact O-N 3.14Å; L176-R178 VanDerWaalsContact C-N 3.35Å; L176-R178 PolarHBondContact O-N 2.87Å; L176-L179 HydrophobicContact CD2-CD1 4.26Å; L176-L179 PolarHBondContact O-N 3.11Å; L176-L180 WeakPolarHBondContact O-CB 3.29Å; L176-L180 WeakPolarHBondContact O-CG 3.47Å; L176-L180 PolarHBondContact O-N 2.99Å; L176-L227 HydrophobicContact CD2-CD1 4.16Å; L176-I245 HydrophobicContact CD2-CB 4.28Å; L176-I245 HydrophobicContact CD2-CD1 3.81Å; L176-I245 HydrophobicContact CD2-CG1 4.44Å; L176-L248 HydrophobicContact CD2-CD1 4.44Å |
| 177 | N | 93.4 | Very high | 92.7 | Very high | 104 Ų | 104 | 40.9 Ų | 40.9 | 56% | 0.556 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -65.5 | -35.7 | 173.4 | -82.1 | -77.4 | 0 | 0 | 0 | 112.6 | P173 I174 T181 | P173-N177 PolarHBondContact O-N 3.11Å; P173-N177 VanDerWaalsContact O-N 3.16Å; P173-N177 PolarHBondContact O-ND2 2.75Å; I174-N177 PolarHBondContact O-N 3.24Å; N177-T181 PolarHBondContact O-N 2.76Å; N177-T181 VanDerWaalsContact O-N 3.12Å; N177-T181 PolarHBondContact O-OG1 2.64Å |
| 178 | R | 94.3 | Very high | 92.6 | Very high | 27 Ų | 27 | 43 Ų | 43 | 10% | 0.102 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -67.6 | -45.7 | 172.2 | -69.2 | 179.3 | -169.5 | 167.1 | 5.2 | 111.6 | A136 L137 S138 I174 V175 L176 L180 T181 Y182 | A136-R178 PolarHBondContact O-NH1 3.22Å; A136-R178 PolarHBondContact O-NH2 3.38Å; L137-R178 PolarHBondContact O-NH2 3.3Å; L137-R178 VanDerWaalsContact O-NH2 3.12Å; S138-R178 PolarHBondContact O-NH2 3.42Å; I174-R178 WeakPolarHBondContact O-CG 3.24Å; I174-R178 PolarHBondContact O-N 2.83Å; V175-R178 PolarHBondContact O-N 3Å; L176-R178 VanDerWaalsContact C-N 3.35Å; L176-R178 PolarHBondContact O-N 2.87Å; R178-L180 PolarHBondContact O-N 3.37Å; R178-T181 CarbonylContact O-C 3.52Å; R178-T181 WeakPolarHBondContact O-CA 3.46Å; R178-T181 WeakPolarHBondContact O-CB 3.4Å; R178-T181 PolarHBondContact O-N 3.49Å; R178-Y182 HydrophobicContact CB-CD2 4.5Å; R178-Y182 HydrophobicContact CB-CE2 3.9Å; R178-Y182 WeakPolarHBondContact O-CD2 3.21Å; R178-Y182 VanDerWaalsContact O-CG 3.23Å; R178-Y182 PolarHBondContact O-N 2.81Å |
| 179 | L | 94.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -56.9 | -45.6 | 174.7 | -79.4 | 167.2 | 0 | 0 | 0 | 112.1 | V175 L176 T181 Y182 T183 I220 I224 L227 L248 | V175-L179 HydrophobicContact CG1-CD1 4.01Å; V175-L179 HydrophobicContact CG1-CG 4.41Å; V175-L179 WeakPolarHBondContact O-CB 3.29Å; V175-L179 WeakPolarHBondContact O-CG 3.43Å; V175-L179 PolarHBondContact O-N 2.88Å; L176-L179 HydrophobicContact CD2-CD1 4.26Å; L176-L179 PolarHBondContact O-N 3.11Å; L179-T181 VanDerWaalsContact C-N 3.29Å; L179-T181 PolarHBondContact O-N 2.59Å; L179-Y182 PolarHBondContact O-N 2.78Å; L179-T183 VanDerWaalsContact O-CB 3.25Å; L179-T183 WeakPolarHBondContact O-CB 3.39Å; L179-T183 PolarHBondContact O-N 2.84Å; L179-T183 PolarHBondContact O-OG1 2.88Å; L179-I220 HydrophobicContact CD2-CB 4.31Å; L179-I220 HydrophobicContact CD2-CG1 4.5Å; L179-I220 HydrophobicContact CD2-CG2 3.75Å; L179-I224 HydrophobicContact CD2-CG1 4.28Å; L179-L227 HydrophobicContact CD1-CD1 3.64Å; L179-L248 HydrophobicContact CB-CD1 3.92Å; L179-L248 HydrophobicContact CD1-CD1 4.5Å |
| 180 | L | 94 | Very high | 91.9 | Very high | 93 Ų | 93 | 46.1 Ų | 46.1 | 49% | 0.487 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -57 | -42.4 | 172.9 | -77.8 | 162.3 | 0 | 0 | 0 | 111.8 | L176 R178 T183 G184 L248 | L176-L180 WeakPolarHBondContact O-CB 3.29Å; L176-L180 WeakPolarHBondContact O-CG 3.47Å; L176-L180 PolarHBondContact O-N 2.99Å; R178-L180 PolarHBondContact O-N 3.37Å; L180-T183 PolarHBondContact O-N 2.82Å; L180-G184 PolarHBondContact O-N 2.91Å; L180-L248 HydrophobicContact CD2-CD2 3.89Å; L180-L248 HydrophobicContact CG-CD2 4.26Å |
| 181 | T | 94.1 | Very high | 91.4 | Very high | 80 Ų | 80 | 44.7 Ų | 44.7 | 49% | 0.491 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -66.7 | -48.4 | 178.5 | -57.2 | 0 | 0 | 0 | 0 | 112 | N177 R178 L179 T183 G184 Q185 | N177-T181 PolarHBondContact O-N 2.76Å; N177-T181 VanDerWaalsContact O-N 3.12Å; N177-T181 PolarHBondContact O-OG1 2.64Å; R178-T181 CarbonylContact O-C 3.52Å; R178-T181 WeakPolarHBondContact O-CA 3.46Å; R178-T181 WeakPolarHBondContact O-CB 3.4Å; R178-T181 PolarHBondContact O-N 3.49Å; L179-T181 VanDerWaalsContact C-N 3.29Å; L179-T181 PolarHBondContact O-N 2.59Å; T181-T183 VanDerWaalsContact C-N 3.31Å; T181-T183 PolarHBondContact O-N 2.77Å; T181-G184 PolarHBondContact O-N 3.2Å; T181-G184 VanDerWaalsContact O-N 3.17Å; T181-Q185 WeakPolarHBondContact O-CG 3.48Å; T181-Q185 PolarHBondContact O-N 2.99Å |
| 182 | Y | 94.1 | Very high | 90.6 | Very high | 8 Ų | 8 | 48.5 Ų | 48.5 | 3% | 0.031 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65.2 | -34.6 | 177 | -54.8 | -29 | 0 | 0 | 0 | 111.8 | E141 R178 L179 G184 Q185 L186 T216 K219 I220 | E141-Y182 VanDerWaalsContact OE1-CE1 3.26Å; E141-Y182 WeakPolarHBondContact OE1-CE1 3.33Å; E141-Y182 PolarHBondContact OE1-OH 2.79Å; R178-Y182 HydrophobicContact CB-CD2 4.5Å; R178-Y182 HydrophobicContact CB-CE2 3.9Å; R178-Y182 WeakPolarHBondContact O-CD2 3.21Å; R178-Y182 VanDerWaalsContact O-CG 3.23Å; R178-Y182 PolarHBondContact O-N 2.81Å; L179-Y182 PolarHBondContact O-N 2.78Å; Y182-G184 VanDerWaalsContact C-N 3.33Å; Y182-G184 PolarHBondContact O-N 2.93Å; Y182-Q185 WeakPolarHBondContact O-CB 3.14Å; Y182-Q185 PolarHBondContact O-N 2.95Å; Y182-L186 WeakPolarHBondContact O-CB 3.49Å; Y182-L186 PolarHBondContact O-N 2.84Å; Y182-T216 WeakPolarHBondContact O-CG2 3.48Å; Y182-K219 HydrophobicContact CD1-CD 4Å; Y182-K219 HydrophobicContact CD2-CB 3.74Å; Y182-K219 HydrophobicContact CE1-CD 3.9Å; Y182-K219 HydrophobicContact CE2-CB 3.79Å; Y182-K219 HydrophobicContact CE2-CD 4.49Å; Y182-K219 HydrophobicContact CG-CB 4.14Å; Y182-K219 HydrophobicContact CG-CD 4.38Å; Y182-I220 HydrophobicContact CD2-CG1 4.33Å; Y182-I220 HydrophobicContact CG-CG1 4.43Å |
| 183 | T | 92.7 | Very high | 89.1 | Confident | 6 Ų | 6 | 54.5 Ų | 54.5 | 4% | 0.037 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65.1 | -37.5 | 173 | -58.7 | 0 | 0 | 0 | 0 | 111.8 | L179 L180 T181 K187 L248 T251 Y252 | L179-T183 VanDerWaalsContact O-CB 3.25Å; L179-T183 WeakPolarHBondContact O-CB 3.39Å; L179-T183 PolarHBondContact O-N 2.84Å; L179-T183 PolarHBondContact O-OG1 2.88Å; L180-T183 PolarHBondContact O-N 2.82Å; T181-T183 VanDerWaalsContact C-N 3.31Å; T181-T183 PolarHBondContact O-N 2.77Å; T183-K187 HydrophobicContact CG2-CD 4.28Å; T183-K187 WeakPolarHBondContact O-CB 3.34Å; T183-K187 WeakPolarHBondContact O-CG 3.43Å; T183-K187 PolarHBondContact O-N 2.88Å; T183-L248 HydrophobicContact CG2-CD2 4.29Å; T183-T251 HydrophobicContact CG2-CG2 3.65Å; T183-Y252 HydrophobicContact CG2-CE1 4.26Å; T183-Y252 WeakPolarHBondContact OG1-CE1 3.45Å; T183-Y252 PolarHBondContact OG1-OH 2.87Å |
| 184 | G | 91.9 | Very high | 86.8 | Confident | 30 Ų | 30 | 57.3 Ų | 57.3 | 31% | 0.309 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -63.8 | -44.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L180 T181 Y182 K187 N188 | L180-G184 PolarHBondContact O-N 2.91Å; T181-G184 PolarHBondContact O-N 3.2Å; T181-G184 VanDerWaalsContact O-N 3.17Å; Y182-G184 VanDerWaalsContact C-N 3.33Å; Y182-G184 PolarHBondContact O-N 2.93Å; G184-K187 PolarHBondContact O-N 3.45Å; G184-N188 PolarHBondContact O-N 2.69Å; G184-N188 PolarHBondContact O-ND2 3.3Å; G184-N188 VanDerWaalsContact O-ND2 3.11Å |
| 185 | Q | 92.1 | Very high | 84.1 | Confident | 67 Ų | 67 | 62.1 Ų | 62.1 | 31% | 0.313 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -58.8 | -50.6 | 173.3 | -67.4 | 169.9 | 8.1 | 0 | 0 | 110.8 | T181 Y182 K187 N188 E189 T216 | T181-Q185 WeakPolarHBondContact O-CG 3.48Å; T181-Q185 PolarHBondContact O-N 2.99Å; Y182-Q185 WeakPolarHBondContact O-CB 3.14Å; Y182-Q185 PolarHBondContact O-N 2.95Å; Q185-K187 PolarHBondContact O-N 2.98Å; Q185-N188 WeakPolarHBondContact O-CB 3.39Å; Q185-N188 PolarHBondContact O-N 3.04Å; Q185-N188 VanDerWaalsContact O-N 3.15Å; Q185-E189 VanDerWaalsContact O-CG 3.3Å; Q185-E189 WeakPolarHBondContact O-CG 3.31Å; Q185-E189 PolarHBondContact O-N 3.06Å; Q185-T216 HydrophobicContact CB-CG2 3.81Å |
| 186 | L | 89.5 | Confident | 81.3 | Confident | 2 Ų | 2 | 67.5 Ų | 67.5 | 1% | 0.01 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -56.2 | -49.2 | 178.6 | -174 | 66.7 | 0 | 0 | 0 | 112 | Y182 N188 E189 L190 T216 E217 I220 V257 L264 | Y182-L186 WeakPolarHBondContact O-CB 3.49Å; Y182-L186 PolarHBondContact O-N 2.84Å; L186-N188 VanDerWaalsContact C-N 3.35Å; L186-N188 PolarHBondContact O-N 3.19Å; L186-E189 PolarHBondContact O-N 3Å; L186-L190 HydrophobicContact CD1-CD1 3.72Å; L186-L190 HydrophobicContact CG-CD1 3.72Å; L186-L190 WeakPolarHBondContact O-CD1 3.43Å; L186-L190 PolarHBondContact O-N 3.44Å; L186-T216 HydrophobicContact CB-CG2 4.08Å; L186-E217 HydrophobicContact CD1-CG 3.95Å; L186-I220 HydrophobicContact CB-CD1 4.3Å; L186-I220 HydrophobicContact CD2-CD1 3.82Å; L186-V257 HydrophobicContact CD2-CG1 4.09Å; L186-V257 HydrophobicContact CD2-CG2 4.32Å; L186-L264 HydrophobicContact CD2-CD2 4.06Å |
| 187 | K | 88.6 | Confident | 78.6 | Confident | 100 Ų | 100 | 71.8 Ų | 71.8 | 44% | 0.435 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -60.1 | -41.3 | 176.9 | -78.7 | 173.3 | 174 | 161.9 | 0 | 112.4 | T183 G184 Q185 S191 T251 | T183-K187 HydrophobicContact CG2-CD 4.28Å; T183-K187 WeakPolarHBondContact O-CB 3.34Å; T183-K187 WeakPolarHBondContact O-CG 3.43Å; T183-K187 PolarHBondContact O-N 2.88Å; G184-K187 PolarHBondContact O-N 3.45Å; Q185-K187 PolarHBondContact O-N 2.98Å; K187-S191 PolarHBondContact O-N 2.68Å; K187-S191 VanDerWaalsContact O-N 3.09Å; K187-T251 VanDerWaalsContact NZ-CG2 3.3Å; K187-T251 PolarHBondContact NZ-OG1 2.93Å |
| 188 | N | 89.2 | Confident | 75.9 | Confident | 111 Ų | 111 | 78.6 Ų | 78.6 | 59% | 0.594 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -64.5 | -45.2 | 176 | -69.1 | -29.1 | 0 | 0 | 0 | 111.6 | G184 Q185 L186 S191 S192 | G184-N188 PolarHBondContact O-N 2.69Å; G184-N188 PolarHBondContact O-ND2 3.3Å; G184-N188 VanDerWaalsContact O-ND2 3.11Å; Q185-N188 WeakPolarHBondContact O-CB 3.39Å; Q185-N188 PolarHBondContact O-N 3.04Å; Q185-N188 VanDerWaalsContact O-N 3.15Å; L186-N188 VanDerWaalsContact C-N 3.35Å; L186-N188 PolarHBondContact O-N 3.19Å; N188-S191 PolarHBondContact O-N 2.76Å; N188-S191 PolarHBondContact O-OG 2.63Å; N188-S192 PolarHBondContact O-N 3.4Å; N188-S192 VanDerWaalsContact O-N 3.16Å |
| 189 | E | 87.2 | Confident | 73.1 | Confident | 53 Ų | 53 | 85.5 Ų | 85.5 | 25% | 0.248 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -61.3 | -47.5 | 177.7 | -68.6 | 162.9 | -160 | 0 | 0 | 112.1 | Q185 L186 S191 S192 N193 T216 R260 | Q185-E189 VanDerWaalsContact O-CG 3.3Å; Q185-E189 WeakPolarHBondContact O-CG 3.31Å; Q185-E189 PolarHBondContact O-N 3.06Å; L186-E189 PolarHBondContact O-N 3Å; E189-S191 VanDerWaalsContact C-N 3.28Å; E189-S191 PolarHBondContact O-N 3.39Å; E189-S192 PolarHBondContact O-N 3.28Å; E189-S192 PolarHBondContact O-OG 3.2Å; E189-N193 PolarHBondContact O-N 3.26Å; E189-T216 WeakPolarHBondContact OE1-CB 3.44Å; E189-T216 PolarHBondContact OE1-OG1 2.81Å; E189-R260 VanDerWaalsContact CB-NH1 3.27Å; E189-R260 IonicContact OE2-CZ 3.18Å; E189-R260 IonicContact OE2-NH1 4Å; E189-R260 PolarHBondContact OE2-NH1 2.87Å; E189-R260 IonicContact OE2-NH2 2.69Å; E189-R260 PolarHBondContact OE2-NH2 3.42Å |
| 190 | L | 83.6 | Confident | 70.4 | Confident | 43 Ų | 43 | 86.9 Ų | 86.9 | 23% | 0.225 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -57.5 | -41.6 | 174.6 | -88.6 | 93.9 | 0 | 0 | 0 | 111.5 | L186 S192 E256 | L186-L190 HydrophobicContact CD1-CD1 3.72Å; L186-L190 HydrophobicContact CG-CD1 3.72Å; L186-L190 WeakPolarHBondContact O-CD1 3.43Å; L186-L190 PolarHBondContact O-N 3.44Å; L190-S192 PolarHBondContact O-N 3.48Å; L190-E256 HydrophobicContact CD2-CB 3.72Å |
| 191 | S | 80.8 | Confident | 68.2 | Low | 89 Ų | 89 | 85.2 Ų | 85.2 | 62% | 0.622 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -64.8 | -23.9 | 177.7 | 80.1 | 0 | 0 | 0 | 0 | 113.8 | K187 N188 E189 | K187-S191 PolarHBondContact O-N 2.68Å; K187-S191 VanDerWaalsContact O-N 3.09Å; N188-S191 PolarHBondContact O-N 2.76Å; N188-S191 PolarHBondContact O-OG 2.63Å; E189-S191 VanDerWaalsContact C-N 3.28Å; E189-S191 PolarHBondContact O-N 3.39Å |
| 192 | S | 76.2 | Confident | 66 | Low | 81 Ų | 81 | 87.8 Ų | 87.8 | 57% | 0.566 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -86.6 | -28.5 | -177.2 | 73.4 | 0 | 0 | 0 | 0 | 114.4 | N188 E189 L190 T194 | N188-S192 PolarHBondContact O-N 3.4Å; N188-S192 VanDerWaalsContact O-N 3.16Å; E189-S192 PolarHBondContact O-N 3.28Å; E189-S192 PolarHBondContact O-OG 3.2Å; L190-S192 PolarHBondContact O-N 3.48Å; S192-T194 PolarHBondContact O-N 3.06Å |
| 193 | N | 61.5 | Low | 63.9 | Low | 127 Ų | 127 | 91.5 Ų | 91.5 | 68% | 0.679 | 51% | 0.511 | S | S | * | . | trans | -90.3 | 70.9 | -176.1 | -90.2 | -14.9 | 0 | 0 | 0 | 112.4 | E189 | E189-N193 PolarHBondContact O-N 3.26Š| ||
| 194 | T | 44 | Very low | 62.1 | Low | 113 Ų | 113 | 94.6 Ų | 94.6 | 69% | 0.693 | 53% | 0.527 | S | S | * | . | trans | -89.7 | 9.9 | -178.2 | -17.2 | 0 | 0 | 0 | 0 | 115.1 | S192 | S192-T194 PolarHBondContact O-N 3.06Š| ||
| 195 | Q | 37.9 | Very low | 60.4 | Low | 166 Ų | 166 | 97.3 Ų | 97.3 | 78% | 0.776 | 53% | 0.534 | S | S | * | . | S | Bend | trans | -162.4 | 141.3 | -179.9 | -105.8 | 130.8 | 92.2 | 0 | 0 | 112.8 | ||
| 196 | S | 35 | Very low | 59 | Low | 112 Ų | 112 | 95.5 Ų | 95.5 | 78% | 0.783 | 53% | 0.527 | S | S | * | . | trans | 63.2 | 142.5 | -179.7 | 65.8 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 197 | T | 36 | Very low | 57.8 | Low | 95 Ų | 95 | 95.9 Ų | 95.9 | 58% | 0.583 | 53% | 0.531 | S | S | * | . | cis | -137.1 | 139.9 | 11.7 | -54.7 | 0 | 0 | 0 | 0 | 111.7 | E199 | T197-E199 VanDerWaalsContact C-N 3.26Å; T197-E199 HydrophobicContact CG2-CB 3.94Å; T197-E199 HydrophobicContact CG2-CG 3.76Å; T197-E199 WeakPolarHBondContact CG2-OE2 3.4Å; T197-E199 PolarHBondContact O-N 3.42Å; T197-E199 VanDerWaalsContact O-N 3.1Å | ||
| 198 | Y | 37.5 | Very low | 57.4 | Low | 247 Ų | 247 | 92.7 Ų | 92.7 | 97% | 0.969 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | 45.1 | -179.8 | -94.9 | -87.4 | 0 | 0 | 0 | 113.6 | ||
| 199 | E | 34.4 | Very low | 57.2 | Low | 173 Ų | 173 | 88.2 Ų | 88.2 | 81% | 0.808 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.7 | -4.9 | -172.8 | -71.6 | 175.7 | 160.8 | 0 | 0 | 115 | T197 G201 | T197-E199 VanDerWaalsContact C-N 3.26Å; T197-E199 HydrophobicContact CG2-CB 3.94Å; T197-E199 HydrophobicContact CG2-CG 3.76Å; T197-E199 WeakPolarHBondContact CG2-OE2 3.4Å; T197-E199 PolarHBondContact O-N 3.42Å; T197-E199 VanDerWaalsContact O-N 3.1Å; E199-G201 PolarHBondContact O-N 3.03Å |
| 200 | G | 38.6 | Very low | 57.2 | Low | 28 Ų | 28 | 88.6 Ų | 88.6 | 29% | 0.289 | 50% | 0.5 | S | S | . | . | trans | -80.6 | 36 | -178.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | M202 T203 N204 | G200-M202 PolarHBondContact O-N 3.29Å; G200-T203 PolarHBondContact O-OG1 2.65Å; G200-N204 WeakPolarHBondContact O-CB 3.44Å; G200-N204 PolarHBondContact O-N 2.94Å; G200-N204 PolarHBondContact O-OD1 2.71Å; G200-N204 VanDerWaalsContact O-OD1 3.13Å | ||
| 201 | G | 47.9 | Very low | 57.5 | Low | 59 Ų | 59 | 86.5 Ų | 86.5 | 61% | 0.608 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -35 | -160.6 | 0 | 0 | 0 | 0 | 0 | 117 | E199 L205 | E199-G201 PolarHBondContact O-N 3.03Å; G201-L205 WeakPolarHBondContact O-CD1 3.47Å |
| 202 | M | 46.7 | Very low | 57.8 | Low | 134 Ų | 134 | 86.4 Ų | 86.4 | 66% | 0.66 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.7 | -39.8 | 179.5 | -67.6 | -93.2 | -79.2 | 0 | 0 | 112.1 | G200 N204 L205 L206 | G200-M202 PolarHBondContact O-N 3.29Å; M202-N204 PolarHBondContact O-N 2.81Å; M202-N204 VanDerWaalsContact O-N 3.15Å; M202-L205 PolarHBondContact O-N 3.32Å; M202-L206 PolarHBondContact O-N 2.8Å |
| 203 | T | 51.3 | Low | 58.3 | Low | 85 Ų | 85 | 87.2 Ų | 87.2 | 52% | 0.521 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -58.8 | -30.2 | -177.2 | 49.6 | 0 | 0 | 0 | 0 | 113.3 | G200 G207 | G200-T203 PolarHBondContact O-OG1 2.65Å; T203-G207 CarbonylContact O-C 3.58Å; T203-G207 VanDerWaalsContact O-CA 3.26Å; T203-G207 WeakPolarHBondContact O-CA 3.42Å; T203-G207 PolarHBondContact O-N 2.71Å |
| 204 | N | 53.6 | Low | 59.5 | Low | 71 Ų | 71 | 82.5 Ų | 82.5 | 38% | 0.38 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -84.8 | -13.2 | -179.6 | -64.9 | 36.8 | 0 | 0 | 0 | 112.9 | G200 M202 S259 I262 | G200-N204 WeakPolarHBondContact O-CB 3.44Å; G200-N204 PolarHBondContact O-N 2.94Å; G200-N204 PolarHBondContact O-OD1 2.71Å; G200-N204 VanDerWaalsContact O-OD1 3.13Å; M202-N204 PolarHBondContact O-N 2.81Å; M202-N204 VanDerWaalsContact O-N 3.15Å; N204-S259 PolarHBondContact ND2-O 3.46Å; N204-S259 VanDerWaalsContact ND2-O 3.13Å; N204-I262 WeakPolarHBondContact O-CG2 3.21Å |
| 205 | L | 56 | Low | 61.7 | Low | 88 Ų | 88 | 81.5 Ų | 81.5 | 46% | 0.461 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -93.3 | -32.8 | 178.6 | -66.5 | 175 | 0 | 0 | 0 | 112.8 | G201 M202 I262 | G201-L205 WeakPolarHBondContact O-CD1 3.47Å; M202-L205 PolarHBondContact O-N 3.32Å; L205-I262 WeakPolarHBondContact O-CG2 3.47Å |
| 206 | L | 63.4 | Low | 64.2 | Low | 28 Ų | 28 | 74.3 Ų | 74.3 | 15% | 0.147 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -104.7 | -16 | -179.1 | -66.8 | 163.2 | 0 | 0 | 0 | 113.1 | D51 M202 R263 V302 | D51-L206 HydrophobicContact CB-CD2 4.2Å; D51-L206 WeakPolarHBondContact OD1-CD2 3.34Å; M202-L206 PolarHBondContact O-N 2.8Å; L206-R263 PolarHBondContact O-NE 3.45Å; L206-R263 PolarHBondContact O-NH2 3.41Å; L206-V302 HydrophobicContact CD2-CG2 4.24Å |
| 207 | G | 65.5 | Low | 66.8 | Low | 11 Ų | 11 | 69.8 Ų | 69.8 | 11% | 0.113 | 38% | 0.379 | C | S | . | . | trans | 75.7 | 179 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | T203 | T203-G207 CarbonylContact O-C 3.58Å; T203-G207 VanDerWaalsContact O-CA 3.26Å; T203-G207 WeakPolarHBondContact O-CA 3.42Å; T203-G207 PolarHBondContact O-N 2.71Å | ||
| 208 | S | 78.3 | Confident | 69.5 | Low | 32 Ų | 32 | 65.6 Ų | 65.6 | 22% | 0.224 | 35% | 0.353 | C | S | . | . | trans | -133.8 | 157.9 | 175.7 | 55.5 | 0 | 0 | 0 | 0 | 112 | N45 R221 | N45-S208 VanDerWaalsContact OD1-CA 3.3Å; N45-S208 WeakPolarHBondContact OD1-CA 3.46Å; S208-R221 PolarHBondContact O-NH1 2.82Å | ||
| 209 | F | 86.1 | Confident | 72.1 | Confident | 17 Ų | 17 | 54.9 Ų | 54.9 | 8% | 0.075 | 31% | 0.312 | C | S | . | . | trans | -121.3 | 101.5 | 172.7 | -172 | -88.6 | 0 | 0 | 0 | 108.6 | E41 I44 N45 F48 A111 L211 M218 | E41-F209 HydrophobicContact CG-CD1 3.96Å; E41-F209 HydrophobicContact CG-CE1 4.06Å; I44-F209 HydrophobicContact CB-CD1 4.36Å; I44-F209 HydrophobicContact CD1-CD1 3.96Å; I44-F209 HydrophobicContact CD1-CE1 3.87Å; I44-F209 HydrophobicContact CG2-CB 3.73Å; I44-F209 HydrophobicContact CG2-CD1 3.97Å; I44-F209 HydrophobicContact CG2-CD2 4.48Å; I44-F209 HydrophobicContact CG2-CG 3.82Å; N45-F209 PolarHBondContact ND2-O 3.28Å; N45-F209 PolarHBondContact OD1-N 2.8Å; F48-F209 HydrophobicContact CD2-CB 4.43Å; F48-F209 HydrophobicContact CE2-CB 4.08Å; A111-F209 HydrophobicContact CB-CE1 4.47Å; F209-L211 HydrophobicContact CE1-CD1 3.97Å; F209-L211 HydrophobicContact CE1-CD2 4.47Å; F209-L211 HydrophobicContact CE1-CG 4Å; F209-L211 HydrophobicContact CZ-CD1 4.14Å; F209-L211 HydrophobicContact CZ-CD2 4.17Å; F209-L211 HydrophobicContact CZ-CG 4.19Å; F209-M218 HydrophobicContact CD2-CE 3.64Å; F209-M218 HydrophobicContact CE2-CE 3.68Å; F209-M218 HydrophobicContact CG-CE 4.16Å; F209-M218 HydrophobicContact CZ-CE 4.23Å | ||
| 210 | I | 88 | Confident | 75 | Confident | 61 Ų | 61 | 46.6 Ų | 46.6 | 31% | 0.313 | 27% | 0.273 | S | S | . | . | trans | -138.6 | 124 | 177.2 | -59.7 | 176.3 | 0 | 0 | 0 | 106.9 | E41 N212 | E41-I210 WeakPolarHBondContact OE2-CA 3.23Å; I210-N212 WeakPolarHBondContact CG2-O 3.12Å | ||
| 211 | L | 89.6 | Confident | 77.5 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 26% | 0.262 | C | S | . | . | trans | -93.7 | -32.4 | -178.3 | -64.7 | 170 | 0 | 0 | 0 | 111.6 | E41 R107 C110 A111 Y146 F209 L214 M218 L222 | E41-L211 PolarHBondContact OE2-N 3.28Å; R107-L211 HydrophobicContact CG-CB 3.99Å; R107-L211 HydrophobicContact CG-CD1 3.91Å; R107-L211 WeakPolarHBondContact O-CD1 3.48Å; C110-L211 HydrophobicContact CB-CD1 3.74Å; C110-L211 HydrophobicContact CB-CD2 4.38Å; A111-L211 HydrophobicContact CB-CD1 4.41Å; Y146-L211 HydrophobicContact CD1-CD2 4.34Å; Y146-L211 HydrophobicContact CE1-CB 3.94Å; Y146-L211 HydrophobicContact CE1-CD2 3.92Å; Y146-L211 HydrophobicContact CE1-CG 4.4Å; Y146-L211 PolarHBondContact OH-O 2.91Å; Y146-L211 VanDerWaalsContact OH-O 3.09Å; F209-L211 HydrophobicContact CE1-CD1 3.97Å; F209-L211 HydrophobicContact CE1-CD2 4.47Å; F209-L211 HydrophobicContact CE1-CG 4Å; F209-L211 HydrophobicContact CZ-CD1 4.14Å; F209-L211 HydrophobicContact CZ-CD2 4.17Å; F209-L211 HydrophobicContact CZ-CG 4.19Å; L211-L214 VanDerWaalsContact O-CA 3.28Å; L211-L214 WeakPolarHBondContact O-CA 3.39Å; L211-L214 WeakPolarHBondContact O-CB 3.47Å; L211-L214 PolarHBondContact O-N 3.46Å; L211-M218 HydrophobicContact CD2-CE 3.6Å; L211-M218 HydrophobicContact CG-CE 4.4Å; L211-L222 HydrophobicContact CD2-CD1 4.3Å; L211-L222 HydrophobicContact CD2-CD2 4.28Å | ||
| 212 | N | 87.1 | Confident | 79.6 | Confident | 86 Ų | 86 | 43.3 Ų | 43.3 | 46% | 0.46 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -129.1 | 120.9 | 179.7 | -169.5 | 16.7 | 0 | 0 | 0 | 111.5 | I210 | I210-N212 WeakPolarHBondContact CG2-O 3.12Š|
| 213 | P | 85.7 | Confident | 81.9 | Confident | 98 Ų | 98 | 37 Ų | 37 | 64% | 0.636 | 20% | 0.202 | S | C | * | . | S | Bend | cis | -72.6 | 139.1 | -3.1 | 30.5 | -35.3 | 0 | 0 | 0 | 112.6 | K215 | P213-K215 PolarHBondContact O-N 2.78Š|
| 214 | L | 87.6 | Confident | 83.9 | Confident | 28 Ų | 28 | 32.9 Ų | 32.9 | 15% | 0.147 | 18% | 0.178 | C | C | . | . | trans | -73.9 | 94.6 | -174.8 | -169.8 | 66.7 | 0 | 0 | 0 | 112 | P142 C145 Y146 L211 M218 K219 L222 | P142-L214 HydrophobicContact CB-CB 4.41Å; P142-L214 HydrophobicContact CB-CD2 3.73Å; C145-L214 HydrophobicContact CB-CD2 3.78Å; Y146-L214 HydrophobicContact CE1-CD1 4.24Å; L211-L214 VanDerWaalsContact O-CA 3.28Å; L211-L214 WeakPolarHBondContact O-CA 3.39Å; L211-L214 WeakPolarHBondContact O-CB 3.47Å; L211-L214 PolarHBondContact O-N 3.46Å; L214-M218 HydrophobicContact CD1-CB 3.77Å; L214-M218 HydrophobicContact CD1-CG 3.57Å; L214-K219 HydrophobicContact CD2-CG 3.77Å; L214-K219 HydrophobicContact CG-CG 3.84Å; L214-L222 HydrophobicContact CD1-CD1 3.77Å | ||
| 215 | K | 89.8 | Confident | 85.7 | Confident | 92 Ų | 92 | 29.7 Ų | 29.7 | 40% | 0.4 | 16% | 0.161 | S | C | . | . | trans | -59.4 | 151.9 | 177.2 | -60 | 179.1 | -174.9 | 170.2 | 0 | 112.3 | P213 E217 M218 K219 | P213-K215 PolarHBondContact O-N 2.78Å; K215-E217 VanDerWaalsContact C-N 3.27Å; K215-E217 PolarHBondContact O-N 3.28Å; K215-M218 HydrophobicContact CB-CB 4.4Å; K215-M218 WeakPolarHBondContact O-CA 3.49Å; K215-M218 WeakPolarHBondContact O-CB 3.45Å; K215-M218 PolarHBondContact O-N 3.19Å; K215-K219 PolarHBondContact O-N 2.63Å | ||
| 216 | T | 90.9 | Very high | 87.5 | Confident | 15 Ų | 15 | 25.5 Ų | 25.5 | 9% | 0.092 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -56.2 | -39.6 | 178.7 | -52.1 | 0 | 0 | 0 | 0 | 112.5 | Y182 Q185 L186 E189 M218 K219 I220 | Y182-T216 WeakPolarHBondContact O-CG2 3.48Å; Q185-T216 HydrophobicContact CB-CG2 3.81Å; L186-T216 HydrophobicContact CB-CG2 4.08Å; E189-T216 WeakPolarHBondContact OE1-CB 3.44Å; E189-T216 PolarHBondContact OE1-OG1 2.81Å; T216-M218 VanDerWaalsContact C-N 3.32Å; T216-M218 PolarHBondContact O-N 2.95Å; T216-K219 PolarHBondContact O-N 3.18Å; T216-I220 WeakPolarHBondContact O-CG1 3.39Å; T216-I220 PolarHBondContact O-N 2.79Å |
| 217 | E | 89.8 | Confident | 89 | Confident | 17 Ų | 17 | 24.1 Ų | 24.1 | 8% | 0.079 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -60.1 | -40.8 | 173.1 | -52.7 | 92.1 | 125.1 | 0 | 0 | 112 | L186 K215 I220 R221 R260 D261 L264 | L186-E217 HydrophobicContact CD1-CG 3.95Å; K215-E217 VanDerWaalsContact C-N 3.27Å; K215-E217 PolarHBondContact O-N 3.28Å; E217-I220 PolarHBondContact O-N 3.06Å; E217-R221 WeakPolarHBondContact O-CG 3.49Å; E217-R221 PolarHBondContact O-N 3.35Å; E217-R260 VanDerWaalsContact CD-NE 3.28Å; E217-R260 IonicContact OE1-CZ 2.72Å; E217-R260 VanDerWaalsContact OE1-CZ 3.26Å; E217-R260 IonicContact OE1-NE 2.78Å; E217-R260 PolarHBondContact OE1-NE 3.34Å; E217-R260 IonicContact OE1-NH2 2.64Å; E217-R260 PolarHBondContact OE1-NH2 3.41Å; E217-R260 IonicContact OE2-CZ 3.82Å; E217-R260 IonicContact OE2-NE 3Å; E217-R260 IonicContact OE2-NH2 3.26Å; E217-R260 PolarHBondContact OE2-NH2 3.35Å; E217-D261 HydrophobicContact CB-CB 4.03Å; E217-D261 HydrophobicContact CG-CB 4.01Å; E217-L264 HydrophobicContact CB-CD2 4.48Å |
| 218 | M | 90.9 | Very high | 90.2 | Very high | 8 Ų | 8 | 24.2 Ų | 24.2 | 4% | 0.039 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -72.1 | -39.5 | -178.6 | -162 | 66.3 | 168.4 | 0 | 0 | 111.1 | F209 L211 L214 K215 T216 I220 R221 L222 | F209-M218 HydrophobicContact CD2-CE 3.64Å; F209-M218 HydrophobicContact CE2-CE 3.68Å; F209-M218 HydrophobicContact CG-CE 4.16Å; F209-M218 HydrophobicContact CZ-CE 4.23Å; L211-M218 HydrophobicContact CD2-CE 3.6Å; L211-M218 HydrophobicContact CG-CE 4.4Å; L214-M218 HydrophobicContact CD1-CB 3.77Å; L214-M218 HydrophobicContact CD1-CG 3.57Å; K215-M218 HydrophobicContact CB-CB 4.4Å; K215-M218 WeakPolarHBondContact O-CA 3.49Å; K215-M218 WeakPolarHBondContact O-CB 3.45Å; K215-M218 PolarHBondContact O-N 3.19Å; T216-M218 VanDerWaalsContact C-N 3.32Å; T216-M218 PolarHBondContact O-N 2.95Å; M218-I220 PolarHBondContact O-N 2.68Å; M218-R221 PolarHBondContact O-N 2.64Å; M218-L222 HydrophobicContact CE-CD2 4.32Å; M218-L222 HydrophobicContact CG-CD1 4.35Å; M218-L222 HydrophobicContact CG-CG 4.34Å; M218-L222 VanDerWaalsContact O-CG 3.28Å; M218-L222 WeakPolarHBondContact O-CG 3.47Å; M218-L222 PolarHBondContact O-N 2.85Å |
| 219 | K | 93.3 | Very high | 90.7 | Very high | 21 Ų | 21 | 23.2 Ų | 23.2 | 9% | 0.091 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -54.5 | -41.3 | 171 | -60.7 | -179.7 | -176 | -172.1 | 0 | 111.9 | E141 Y182 L214 K215 T216 S223 | E141-K219 IonicContact OE1-NZ 2.79Å; E141-K219 PolarHBondContact OE1-NZ 3.06Å; E141-K219 WeakPolarHBondContact OE2-CE 3.29Å; E141-K219 IonicContact OE2-NZ 3.62Å; E141-K219 PolarHBondContact OE2-NZ 3.15Å; Y182-K219 HydrophobicContact CD1-CD 4Å; Y182-K219 HydrophobicContact CD2-CB 3.74Å; Y182-K219 HydrophobicContact CE1-CD 3.9Å; Y182-K219 HydrophobicContact CE2-CB 3.79Å; Y182-K219 HydrophobicContact CE2-CD 4.49Å; Y182-K219 HydrophobicContact CG-CB 4.14Å; Y182-K219 HydrophobicContact CG-CD 4.38Å; L214-K219 HydrophobicContact CD2-CG 3.77Å; L214-K219 HydrophobicContact CG-CG 3.84Å; K215-K219 PolarHBondContact O-N 2.63Å; T216-K219 PolarHBondContact O-N 3.18Å; K219-S223 VanDerWaalsContact O-CB 3.32Å; K219-S223 WeakPolarHBondContact O-CB 3.48Å; K219-S223 PolarHBondContact O-N 2.96Å; K219-S223 VanDerWaalsContact O-N 3.15Å; K219-S223 PolarHBondContact O-OG 3.15Å |
| 220 | I | 94 | Very high | 90.9 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -68.9 | -48.3 | 177.6 | -62.5 | 164.2 | 0 | 0 | 0 | 110.3 | L179 Y182 L186 T216 E217 M218 L222 S223 I224 Y252 L264 | L179-I220 HydrophobicContact CD2-CB 4.31Å; L179-I220 HydrophobicContact CD2-CG1 4.5Å; L179-I220 HydrophobicContact CD2-CG2 3.75Å; Y182-I220 HydrophobicContact CD2-CG1 4.33Å; Y182-I220 HydrophobicContact CG-CG1 4.43Å; L186-I220 HydrophobicContact CB-CD1 4.3Å; L186-I220 HydrophobicContact CD2-CD1 3.82Å; T216-I220 WeakPolarHBondContact O-CG1 3.39Å; T216-I220 PolarHBondContact O-N 2.79Å; E217-I220 PolarHBondContact O-N 3.06Å; M218-I220 PolarHBondContact O-N 2.68Å; I220-L222 PolarHBondContact O-N 3.21Å; I220-S223 CarbonylContact O-C 3.57Å; I220-S223 WeakPolarHBondContact O-CB 3.22Å; I220-S223 PolarHBondContact O-N 2.88Å; I220-S223 VanDerWaalsContact O-N 3.13Å; I220-I224 HydrophobicContact CG2-CD1 3.77Å; I220-I224 HydrophobicContact CG2-CG1 4.34Å; I220-I224 WeakPolarHBondContact O-CG1 3.31Å; I220-I224 PolarHBondContact O-N 3.32Å; I220-Y252 HydrophobicContact CD1-CE1 4.18Å; I220-Y252 HydrophobicContact CG2-CE1 3.82Å; I220-Y252 HydrophobicContact CG2-CE2 3.94Å; I220-Y252 VanDerWaalsContact CG2-CZ 3.48Å; I220-Y252 WeakPolarHBondContact CG2-OH 3.26Å; I220-L264 HydrophobicContact CB-CD1 4.05Å; I220-L264 HydrophobicContact CD1-CD2 4.43Å; I220-L264 HydrophobicContact CG2-CD1 3.35Å; I220-L264 HydrophobicContact CG2-CD2 4.35Å |
| 221 | R | 92.1 | Very high | 90.9 | Very high | 15 Ų | 15 | 19.5 Ų | 19.5 | 6% | 0.057 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -58.3 | -47.5 | 177.7 | -75.9 | 170.3 | 59.9 | -163.3 | -10.6 | 113 | S208 E217 M218 S223 I224 A225 D261 L264 E267 | S208-R221 PolarHBondContact O-NH1 2.82Å; E217-R221 WeakPolarHBondContact O-CG 3.49Å; E217-R221 PolarHBondContact O-N 3.35Å; M218-R221 PolarHBondContact O-N 2.64Å; R221-S223 VanDerWaalsContact C-N 3.26Å; R221-S223 PolarHBondContact O-N 3.3Å; R221-I224 PolarHBondContact O-N 3.49Å; R221-A225 WeakPolarHBondContact O-CB 3.14Å; R221-A225 PolarHBondContact O-N 2.69Å; R221-D261 WeakPolarHBondContact CD-OD2 3.38Å; R221-D261 IonicContact CZ-OD2 3.8Å; R221-D261 IonicContact NE-OD2 2.73Å; R221-D261 IonicContact NH1-OD1 3.63Å; R221-D261 IonicContact NH1-OD2 3.47Å; R221-D261 PolarHBondContact NH1-OD2 2.86Å; R221-L264 HydrophobicContact CG-CB 3.91Å; R221-L264 HydrophobicContact CG-CD1 3.96Å; R221-E267 HydrophobicContact CG-CG 4.28Å |
| 222 | L | 92.8 | Very high | 90.5 | Very high | 3 Ų | 3 | 24.5 Ų | 24.5 | 2% | 0.016 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -62.3 | -34.3 | 176.2 | -61.7 | 176.1 | 0 | 0 | 0 | 112.1 | C145 Y146 F149 L211 L214 M218 I220 | C145-L222 HydrophobicContact CB-CB 4.49Å; C145-L222 HydrophobicContact CB-CD1 3.96Å; Y146-L222 HydrophobicContact CD1-CD1 4.02Å; Y146-L222 HydrophobicContact CE1-CD1 4.37Å; F149-L222 HydrophobicContact CB-CB 4.2Å; F149-L222 HydrophobicContact CB-CD2 3.67Å; F149-L222 HydrophobicContact CB-CG 4.44Å; F149-L222 HydrophobicContact CD1-CD2 4.3Å; F149-L222 HydrophobicContact CD2-CD2 3.44Å; F149-L222 VanDerWaalsContact CD2-CD2 3.44Å; F149-L222 HydrophobicContact CE2-CD2 4.09Å; F149-L222 HydrophobicContact CG-CD2 3.55Å; L211-L222 HydrophobicContact CD2-CD1 4.3Å; L211-L222 HydrophobicContact CD2-CD2 4.28Å; L214-L222 HydrophobicContact CD1-CD1 3.77Å; M218-L222 HydrophobicContact CE-CD2 4.32Å; M218-L222 HydrophobicContact CG-CD1 4.35Å; M218-L222 HydrophobicContact CG-CG 4.34Å; M218-L222 VanDerWaalsContact O-CG 3.28Å; M218-L222 WeakPolarHBondContact O-CG 3.47Å; M218-L222 PolarHBondContact O-N 2.85Å; I220-L222 PolarHBondContact O-N 3.21Å |
| 223 | S | 93.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -74.3 | -31.4 | 175.7 | -59.7 | 0 | 0 | 0 | 0 | 113.2 | K219 I220 R221 | K219-S223 VanDerWaalsContact O-CB 3.32Å; K219-S223 WeakPolarHBondContact O-CB 3.48Å; K219-S223 PolarHBondContact O-N 2.96Å; K219-S223 VanDerWaalsContact O-N 3.15Å; K219-S223 PolarHBondContact O-OG 3.15Å; I220-S223 CarbonylContact O-C 3.57Å; I220-S223 WeakPolarHBondContact O-CB 3.22Å; I220-S223 PolarHBondContact O-N 2.88Å; I220-S223 VanDerWaalsContact O-N 3.13Å; R221-S223 VanDerWaalsContact C-N 3.26Å; R221-S223 PolarHBondContact O-N 3.3Å |
| 224 | I | 94.2 | Very high | 90.3 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -73.4 | -39.1 | 173.7 | -71.5 | 171.2 | 0 | 0 | 0 | 110.7 | L179 I220 R221 Y226 L227 I228 Y252 L264 E267 L271 | L179-I224 HydrophobicContact CD2-CG1 4.28Å; I220-I224 HydrophobicContact CG2-CD1 3.77Å; I220-I224 HydrophobicContact CG2-CG1 4.34Å; I220-I224 WeakPolarHBondContact O-CG1 3.31Å; I220-I224 PolarHBondContact O-N 3.32Å; R221-I224 PolarHBondContact O-N 3.49Å; I224-Y226 PolarHBondContact O-N 2.93Å; I224-L227 WeakPolarHBondContact O-CA 3.41Å; I224-L227 WeakPolarHBondContact O-CB 3.38Å; I224-L227 PolarHBondContact O-N 2.78Å; I224-I228 HydrophobicContact CG2-CD1 3.88Å; I224-I228 HydrophobicContact CG2-CG1 4.18Å; I224-I228 WeakPolarHBondContact O-CG1 3.48Å; I224-I228 PolarHBondContact O-N 2.71Å; I224-I228 VanDerWaalsContact O-N 3.15Å; I224-Y252 HydrophobicContact CD1-CD2 3.94Å; I224-Y252 HydrophobicContact CD1-CE2 3.76Å; I224-L264 HydrophobicContact CD1-CD1 3.81Å; I224-E267 HydrophobicContact CB-CB 4.48Å; I224-E267 HydrophobicContact CG2-CB 3.84Å; I224-E267 WeakPolarHBondContact CG2-O 3.4Å; I224-L271 HydrophobicContact CG1-CD2 4.5Å; I224-L271 HydrophobicContact CG2-CB 4Å; I224-L271 HydrophobicContact CG2-CD2 4.05Å |
| 225 | A | 90.9 | Very high | 90.2 | Very high | 3 Ų | 3 | 27.1 Ų | 27.1 | 3% | 0.025 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -60.1 | -27 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | F149 R221 | F149-A225 HydrophobicContact CD2-CB 3.57Å; F149-A225 HydrophobicContact CE2-CB 3.94Å; R221-A225 WeakPolarHBondContact O-CB 3.14Å; R221-A225 PolarHBondContact O-N 2.69Å |
| 226 | Y | 93.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -71.1 | -32.8 | 168.5 | 166.8 | -100.5 | 0 | 0 | 0 | 113.1 | L148 L151 L155 N168 L171 I172 V175 I224 L230 | L148-Y226 HydrophobicContact CD2-CD1 3.93Å; L148-Y226 HydrophobicContact CD2-CD2 3.95Å; L148-Y226 HydrophobicContact CD2-CE1 4.37Å; L148-Y226 HydrophobicContact CD2-CE2 4.38Å; L148-Y226 HydrophobicContact CD2-CG 3.71Å; L148-Y226 WeakPolarHBondContact O-CB 2.97Å; L151-Y226 HydrophobicContact CB-CD2 3.93Å; L151-Y226 HydrophobicContact CB-CE2 4.26Å; L151-Y226 HydrophobicContact CD1-CE2 4.4Å; L155-Y226 HydrophobicContact CD1-CD2 4.43Å; L155-Y226 HydrophobicContact CD1-CE2 3.93Å; N168-Y226 PolarHBondContact OD1-OH 3.21Å; L171-Y226 HydrophobicContact CD2-CE1 4.4Å; L171-Y226 HydrophobicContact CD2-CE2 3.8Å; L171-Y226 HydrophobicContact CG-CE1 4.26Å; I172-Y226 HydrophobicContact CG1-CE1 4.38Å; V175-Y226 HydrophobicContact CB-CD1 4.47Å; V175-Y226 HydrophobicContact CG1-CD1 4.22Å; V175-Y226 HydrophobicContact CG2-CD1 3.96Å; V175-Y226 HydrophobicContact CG2-CE1 3.92Å; I224-Y226 PolarHBondContact O-N 2.93Å; Y226-L230 HydrophobicContact CD1-CD2 4.37Å; Y226-L230 HydrophobicContact CE1-CD2 3.65Å; Y226-L230 HydrophobicContact CE2-CD2 3.94Å; Y226-L230 WeakPolarHBondContact OH-CD2 3.49Å |
| 227 | L | 94.2 | Very high | 90 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -84.7 | -19 | -174.6 | -68.3 | 178.6 | 0 | 0 | 0 | 113.7 | I172 V175 L176 L179 I224 L230 A231 M240 I245 L271 | I172-L227 HydrophobicContact CG1-CD2 4.38Å; V175-L227 HydrophobicContact CG1-CD1 4.29Å; V175-L227 HydrophobicContact CG1-CD2 4.43Å; V175-L227 HydrophobicContact CG1-CG 4.32Å; L176-L227 HydrophobicContact CD2-CD1 4.16Å; L179-L227 HydrophobicContact CD1-CD1 3.64Å; I224-L227 WeakPolarHBondContact O-CA 3.41Å; I224-L227 WeakPolarHBondContact O-CB 3.38Å; I224-L227 PolarHBondContact O-N 2.78Å; L227-L230 PolarHBondContact O-N 3.49Å; L227-A231 PolarHBondContact O-N 3.02Å; L227-A231 VanDerWaalsContact O-N 3.09Å; L227-M240 HydrophobicContact CB-CE 3.8Å; L227-M240 HydrophobicContact CD2-CE 4.1Å; L227-M240 HydrophobicContact CD2-CG 4.23Å; L227-M240 HydrophobicContact CD2-SD 4.14Å; L227-M240 HydrophobicContact CG-CE 4.37Å; L227-M240 WeakPolarHBondContact O-CE 3.2Å; L227-I245 HydrophobicContact CD1-CD1 4.09Å; L227-L271 HydrophobicContact CB-CD1 3.86Å; L227-L271 HydrophobicContact CB-CD2 4.29Å; L227-L271 HydrophobicContact CD1-CD2 4.43Å |
| 228 | I | 91.2 | Very high | 89.9 | Confident | 13 Ų | 13 | 24 Ų | 24 | 7% | 0.067 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -62.5 | -54.1 | -174.6 | -77 | 167.3 | 0 | 0 | 0 | 113.6 | I224 L230 A231 E267 R270 L271 N274 | I224-I228 HydrophobicContact CG2-CD1 3.88Å; I224-I228 HydrophobicContact CG2-CG1 4.18Å; I224-I228 WeakPolarHBondContact O-CG1 3.48Å; I224-I228 PolarHBondContact O-N 2.71Å; I224-I228 VanDerWaalsContact O-N 3.15Å; I228-L230 PolarHBondContact O-N 2.6Å; I228-A231 WeakPolarHBondContact O-CB 3.43Å; I228-A231 PolarHBondContact O-N 2.66Å; I228-E267 WeakPolarHBondContact CD1-OE2 3.4Å; I228-R270 HydrophobicContact CD1-CB 4.18Å; I228-R270 HydrophobicContact CD1-CG 4.03Å; I228-R270 HydrophobicContact CG2-CG 4.19Å; I228-L271 HydrophobicContact CG1-CB 3.91Å; I228-L271 HydrophobicContact CG1-CD1 4.13Å; I228-N274 PolarHBondContact O-ND2 3.36Å |
| 229 | P | 88.4 | Confident | 89.8 | Confident | 11 Ų | 11 | 27.6 Ų | 27.6 | 7% | 0.071 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -67.2 | -26.1 | 175.2 | 24.8 | -33.5 | 0 | 0 | 0 | 112.8 | L155 D156 A231 | L155-P229 HydrophobicContact CB-CG 4.44Å; D156-P229 WeakPolarHBondContact OD1-CG 3.39Å; P229-A231 VanDerWaalsContact C-N 3.28Å; P229-A231 PolarHBondContact O-N 2.86Å |
| 230 | L | 91.5 | Very high | 89.6 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -74.6 | -16.1 | 178.3 | -84 | 56.5 | 0 | 0 | 0 | 113.4 | L155 L161 N168 I172 Y226 L227 I228 L236 M240 | L155-L230 HydrophobicContact CB-CD1 4.08Å; L155-L230 HydrophobicContact CD1-CD1 3.99Å; L161-L230 HydrophobicContact CD1-CD1 3.56Å; L161-L230 HydrophobicContact CD1-CG 3.98Å; N168-L230 HydrophobicContact CB-CD2 4.18Å; I172-L230 HydrophobicContact CD1-CD2 4.09Å; I172-L230 HydrophobicContact CG1-CD2 4.01Å; Y226-L230 HydrophobicContact CD1-CD2 4.37Å; Y226-L230 HydrophobicContact CE1-CD2 3.65Å; Y226-L230 HydrophobicContact CE2-CD2 3.94Å; Y226-L230 WeakPolarHBondContact OH-CD2 3.49Å; L227-L230 PolarHBondContact O-N 3.49Å; I228-L230 PolarHBondContact O-N 2.6Å; L230-L236 HydrophobicContact CG-CD1 4.16Å; L230-M240 HydrophobicContact CB-SD 3.92Å |
| 231 | A | 88.5 | Confident | 89.2 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -78 | -31.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | L227 I228 P229 M240 L271 N274 L275 | L227-A231 PolarHBondContact O-N 3.02Å; L227-A231 VanDerWaalsContact O-N 3.09Å; I228-A231 WeakPolarHBondContact O-CB 3.43Å; I228-A231 PolarHBondContact O-N 2.66Å; P229-A231 VanDerWaalsContact C-N 3.28Å; P229-A231 PolarHBondContact O-N 2.86Å; A231-M240 HydrophobicContact CB-CE 3.91Å; A231-L271 HydrophobicContact CB-CD1 3.86Å; A231-N274 HydrophobicContact CB-CB 3.7Å; A231-L275 HydrophobicContact CB-CD2 3.81Å; A231-L275 HydrophobicContact CB-CG 3.85Å |
| 232 | E | 81.2 | Confident | 88.9 | Confident | 105 Ų | 105 | 35.5 Ų | 35.5 | 49% | 0.491 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -77.1 | -28.5 | 178.3 | -57.9 | 174.5 | -178.7 | 0 | 0 | 111.3 | Q234 N274 | E232-Q234 PolarHBondContact O-N 3.01Å; E232-N274 HydrophobicContact CG-CB 3.77Å; E232-N274 PolarHBondContact OE1-ND2 3.3Å |
| 233 | Y | 85.1 | Confident | 88.5 | Confident | 46 Ų | 46 | 36.9 Ų | 36.9 | 18% | 0.18 | 19% | 0.189 | C | C | . | . | trans | -75.3 | 97.9 | -177.9 | -163.9 | -94.7 | 0 | 0 | 0 | 111 | L161 Y162 R165 D235 L236 M237 | L161-Y233 HydrophobicContact CD2-CD2 4.05Å; L161-Y233 HydrophobicContact CD2-CG 4.06Å; L161-Y233 HydrophobicContact CG-CD2 4.25Å; L161-Y233 HydrophobicContact CG-CG 4.27Å; Y162-Y233 WeakPolarHBondContact CD2-OH 3.38Å; R165-Y233 HydrophobicContact CG-CE1 4.5Å; Y233-D235 HydrophobicContact CD1-CB 3.81Å; Y233-D235 HydrophobicContact CE1-CB 3.38Å; Y233-D235 PolarHBondContact O-N 2.85Å; Y233-L236 HydrophobicContact CD1-CB 4Å; Y233-L236 HydrophobicContact CD1-CD1 3.72Å; Y233-L236 HydrophobicContact CD1-CG 3.66Å; Y233-L236 HydrophobicContact CE1-CD1 4.32Å; Y233-L236 HydrophobicContact CE1-CG 4.21Å; Y233-L236 HydrophobicContact CG-CD1 4.38Å; Y233-L236 PolarHBondContact O-N 2.8Å; Y233-M237 PolarHBondContact O-N 3.07Å | ||
| 234 | Q | 83.2 | Confident | 88.3 | Confident | 143 Ų | 143 | 38.2 Ų | 38.2 | 67% | 0.668 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -45.8 | -32.2 | -175.6 | -172.2 | 179.2 | 17.1 | 0 | 0 | 115.2 | E232 L236 P238 H278 | E232-Q234 PolarHBondContact O-N 3.01Å; Q234-L236 VanDerWaalsContact C-N 3.33Å; Q234-P238 WeakPolarHBondContact O-CD 3.15Å; Q234-H278 WeakPolarHBondContact CA-NE2 3.49Å |
| 235 | D | 85.2 | Confident | 88.2 | Confident | 77 Ų | 77 | 38.2 Ų | 38.2 | 41% | 0.412 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -6.3 | -177.4 | -110.3 | -30.2 | 0 | 0 | 0 | 114 | R165 Y233 | R165-D235 IonicContact CZ-OD1 3.63Å; R165-D235 IonicContact CZ-OD2 2.75Å; R165-D235 VanDerWaalsContact CZ-OD2 3.23Å; R165-D235 IonicContact NH1-OD1 3.73Å; R165-D235 IonicContact NH1-OD2 2.72Å; R165-D235 PolarHBondContact NH1-OD2 3.39Å; R165-D235 PolarHBondContact NH2-O 2.84Å; R165-D235 IonicContact NH2-OD1 3.77Å; R165-D235 PolarHBondContact NH2-OD1 2.94Å; R165-D235 IonicContact NH2-OD2 2.94Å; R165-D235 PolarHBondContact NH2-OD2 3.02Å; Y233-D235 HydrophobicContact CD1-CB 3.81Å; Y233-D235 HydrophobicContact CE1-CB 3.38Å; Y233-D235 PolarHBondContact O-N 2.85Å |
| 236 | L | 88.4 | Confident | 88.1 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118 | -34.3 | 177.3 | -72.5 | 172.9 | 0 | 0 | 0 | 112.9 | L161 R165 N168 I169 I172 L230 Y233 Q234 P238 F239 | L161-L236 HydrophobicContact CD1-CD1 3.7Å; L161-L236 HydrophobicContact CG-CD1 4.39Å; R165-L236 HydrophobicContact CG-CD2 3.95Å; R165-L236 HydrophobicContact CG-CG 4.27Å; N168-L236 HydrophobicContact CB-CD1 4.03Å; N168-L236 HydrophobicContact CB-CD2 4.04Å; I169-L236 HydrophobicContact CD1-CD2 4.37Å; I169-L236 HydrophobicContact CG1-CD2 3.53Å; I172-L236 HydrophobicContact CD1-CB 4.24Å; I172-L236 HydrophobicContact CD1-CD2 4.03Å; L230-L236 HydrophobicContact CG-CD1 4.16Å; Y233-L236 HydrophobicContact CD1-CB 4Å; Y233-L236 HydrophobicContact CD1-CD1 3.72Å; Y233-L236 HydrophobicContact CD1-CG 3.66Å; Y233-L236 HydrophobicContact CE1-CD1 4.32Å; Y233-L236 HydrophobicContact CE1-CG 4.21Å; Y233-L236 HydrophobicContact CG-CD1 4.38Å; Y233-L236 PolarHBondContact O-N 2.8Å; Q234-L236 VanDerWaalsContact C-N 3.33Å; L236-P238 VanDerWaalsContact C-N 3.29Å; L236-P238 VanDerWaalsContact O-N 3.14Å; L236-F239 WeakPolarHBondContact O-CB 3.17Å; L236-F239 WeakPolarHBondContact O-CD2 3.32Å; L236-F239 PolarHBondContact O-N 2.85Å |
| 237 | M | 87.7 | Confident | 88 | Confident | 12 Ų | 12 | 43.5 Ų | 43.5 | 6% | 0.059 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -46 | -43 | 176.8 | 174 | -79.8 | -67 | 0 | 0 | 114.2 | Y233 F239 M240 Y241 L275 H278 V281 | Y233-M237 PolarHBondContact O-N 3.07Å; M237-F239 PolarHBondContact O-N 3.31Å; M237-F239 VanDerWaalsContact O-N 3.1Å; M237-M240 WeakPolarHBondContact O-CA 3.31Å; M237-M240 WeakPolarHBondContact O-CB 3.43Å; M237-M240 PolarHBondContact O-N 3.25Å; M237-Y241 WeakPolarHBondContact O-CB 3.26Å; M237-Y241 PolarHBondContact O-N 2.7Å; M237-Y241 HydrophobicContact SD-CG 4.22Å; M237-L275 HydrophobicContact CG-CD2 3.64Å; M237-H278 HydrophobicContact CE-CB 3.91Å; M237-H278 WeakPolarHBondContact CE-CD2 3.37Å; M237-V281 HydrophobicContact CE-CG2 4.35Å; M237-V281 HydrophobicContact SD-CG2 3.92Å |
| 238 | P | 87.1 | Confident | 87.9 | Confident | 48 Ų | 48 | 43.7 Ų | 43.7 | 31% | 0.312 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -57.4 | -28.6 | 179.8 | -29.2 | 36.8 | 0 | 0 | 0 | 114.4 | Q234 L236 N242 | Q234-P238 WeakPolarHBondContact O-CD 3.15Å; L236-P238 VanDerWaalsContact C-N 3.29Å; L236-P238 VanDerWaalsContact O-N 3.14Å; P238-N242 VanDerWaalsContact O-CB 3.31Å; P238-N242 WeakPolarHBondContact O-CB 3.45Å; P238-N242 PolarHBondContact O-N 3.28Å; P238-N242 PolarHBondContact O-ND2 3.28Å |
| 239 | F | 89 | Confident | 88 | Confident | 82 Ų | 82 | 43.1 Ų | 43.1 | 36% | 0.36 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -75 | -28.1 | 176.5 | -62 | -87.9 | 0 | 0 | 0 | 112.3 | I169 I172 L236 M237 | I169-F239 HydrophobicContact CD1-CE2 4.03Å; I169-F239 HydrophobicContact CD1-CZ 4.09Å; I169-F239 HydrophobicContact CG1-CD2 4.19Å; I169-F239 HydrophobicContact CG1-CE2 3.84Å; I169-F239 HydrophobicContact CG1-CZ 4.05Å; I169-F239 HydrophobicContact CG2-CD1 4.23Å; I169-F239 HydrophobicContact CG2-CE1 3.78Å; I169-F239 HydrophobicContact CG2-CZ 3.94Å; I172-F239 HydrophobicContact CD1-CB 4.32Å; I172-F239 HydrophobicContact CG2-CB 3.95Å; L236-F239 WeakPolarHBondContact O-CB 3.17Å; L236-F239 WeakPolarHBondContact O-CD2 3.32Å; L236-F239 PolarHBondContact O-N 2.85Å; M237-F239 PolarHBondContact O-N 3.31Å; M237-F239 VanDerWaalsContact O-N 3.1Å |
| 240 | M | 89.7 | Confident | 88.1 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -78.9 | -47.2 | 174.8 | -61.6 | 167.9 | 50.8 | 0 | 0 | 111.1 | I172 L227 L230 A231 M237 G243 I245 L271 L275 | I172-M240 HydrophobicContact CD1-CG 4.16Å; I172-M240 HydrophobicContact CD1-SD 4.49Å; I172-M240 HydrophobicContact CG1-CG 4.29Å; I172-M240 HydrophobicContact CG2-CB 4.46Å; I172-M240 HydrophobicContact CG2-CG 3.6Å; L227-M240 HydrophobicContact CB-CE 3.8Å; L227-M240 HydrophobicContact CD2-CE 4.1Å; L227-M240 HydrophobicContact CD2-CG 4.23Å; L227-M240 HydrophobicContact CD2-SD 4.14Å; L227-M240 HydrophobicContact CG-CE 4.37Å; L227-M240 WeakPolarHBondContact O-CE 3.2Å; L230-M240 HydrophobicContact CB-SD 3.92Å; A231-M240 HydrophobicContact CB-CE 3.91Å; M237-M240 WeakPolarHBondContact O-CA 3.31Å; M237-M240 WeakPolarHBondContact O-CB 3.43Å; M237-M240 PolarHBondContact O-N 3.25Å; M240-G243 PolarHBondContact O-N 2.78Å; M240-I245 HydrophobicContact CB-CG2 4.37Å; M240-I245 WeakPolarHBondContact O-CB 3.24Å; M240-I245 WeakPolarHBondContact O-CG2 3.5Å; M240-L271 HydrophobicContact CE-CD1 3.84Å; M240-L275 HydrophobicContact CE-CD2 4.23Å |
| 241 | Y | 86.2 | Confident | 88.1 | Confident | 67 Ų | 67 | 44.3 Ų | 44.3 | 26% | 0.263 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -59.1 | -55.1 | 178.4 | 178.9 | -108.7 | 0 | 0 | 0 | 112.4 | M237 G243 G244 L246 V281 E284 | M237-Y241 WeakPolarHBondContact O-CB 3.26Å; M237-Y241 PolarHBondContact O-N 2.7Å; M237-Y241 HydrophobicContact SD-CG 4.22Å; Y241-G243 PolarHBondContact O-N 2.9Å; Y241-G243 VanDerWaalsContact O-N 3.09Å; Y241-G244 PolarHBondContact O-N 3.18Å; Y241-G244 VanDerWaalsContact O-N 3.09Å; Y241-L246 HydrophobicContact CD2-CD1 4.48Å; Y241-L246 HydrophobicContact CE2-CD1 4.11Å; Y241-V281 HydrophobicContact CD2-CG1 4.39Å; Y241-V281 HydrophobicContact CD2-CG2 3.88Å; Y241-V281 HydrophobicContact CE2-CG2 4.2Å; Y241-V281 HydrophobicContact CG-CG2 4.49Å; Y241-E284 WeakPolarHBondContact CE2-OE2 3.27Å; Y241-E284 PolarHBondContact OH-OE2 2.84Å |
| 242 | N | 85.9 | Confident | 88.3 | Confident | 135 Ų | 135 | 44.4 Ų | 44.4 | 72% | 0.722 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -13.6 | 177.5 | -72.1 | -68.1 | 0 | 0 | 0 | 113.8 | P238 | P238-N242 VanDerWaalsContact O-CB 3.31Å; P238-N242 WeakPolarHBondContact O-CB 3.45Å; P238-N242 PolarHBondContact O-N 3.28Å; P238-N242 PolarHBondContact O-ND2 3.28Å |
| 243 | G | 84.4 | Confident | 88.7 | Confident | 33 Ų | 33 | 39.7 Ų | 39.7 | 34% | 0.34 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | 7.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | M240 Y241 | M240-G243 PolarHBondContact O-N 2.78Å; Y241-G243 PolarHBondContact O-N 2.9Å; Y241-G243 VanDerWaalsContact O-N 3.09Å |
| 244 | G | 88.8 | Confident | 88.8 | Confident | 27 Ų | 27 | 41.7 Ų | 41.7 | 28% | 0.278 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 81 | 27.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y241 L246 D247 | Y241-G244 PolarHBondContact O-N 3.18Å; Y241-G244 VanDerWaalsContact O-N 3.09Å; G244-L246 PolarHBondContact O-N 3.47Å; G244-D247 PolarHBondContact O-N 3.19Å |
| 245 | I | 91.6 | Very high | 88.8 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.6 | -28.6 | -177.5 | -168.4 | 55.2 | 0 | 0 | 0 | 113.7 | L176 L227 M240 L248 I249 L271 L275 | L176-I245 HydrophobicContact CD2-CB 4.28Å; L176-I245 HydrophobicContact CD2-CD1 3.81Å; L176-I245 HydrophobicContact CD2-CG1 4.44Å; L227-I245 HydrophobicContact CD1-CD1 4.09Å; M240-I245 HydrophobicContact CB-CG2 4.37Å; M240-I245 WeakPolarHBondContact O-CB 3.24Å; M240-I245 WeakPolarHBondContact O-CG2 3.5Å; I245-L248 HydrophobicContact CD1-CB 4.36Å; I245-L248 HydrophobicContact CD1-CD1 4.02Å; I245-L248 WeakPolarHBondContact O-CB 3.25Å; I245-L248 PolarHBondContact O-N 2.8Å; I245-I249 HydrophobicContact CG1-CD1 4.09Å; I245-I249 WeakPolarHBondContact O-CG1 3.48Å; I245-I249 PolarHBondContact O-N 2.58Å; I245-L271 HydrophobicContact CD1-CD2 3.84Å; I245-L271 HydrophobicContact CG1-CD2 3.86Å; I245-L275 HydrophobicContact CG1-CD1 4.32Å; I245-L275 HydrophobicContact CG2-CD1 3.74Å |
| 246 | L | 90.2 | Very high | 88.8 | Confident | 9 Ų | 9 | 41.4 Ų | 41.4 | 5% | 0.047 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.8 | -42.3 | 176.4 | -66.4 | -179.7 | 0 | 0 | 0 | 112.6 | Y241 G244 L248 I249 Y250 L272 V281 E284 | Y241-L246 HydrophobicContact CD2-CD1 4.48Å; Y241-L246 HydrophobicContact CE2-CD1 4.11Å; G244-L246 PolarHBondContact O-N 3.47Å; L246-L248 PolarHBondContact O-N 2.93Å; L246-I249 PolarHBondContact O-N 3.34Å; L246-I249 VanDerWaalsContact O-N 3.15Å; L246-Y250 HydrophobicContact CB-CD2 4.43Å; L246-Y250 HydrophobicContact CB-CE2 3.99Å; L246-Y250 WeakPolarHBondContact O-CD2 3.28Å; L246-Y250 PolarHBondContact O-N 3.26Å; L246-L272 HydrophobicContact CD2-CD1 4.1Å; L246-V281 HydrophobicContact CD1-CG1 4.17Å; L246-V281 HydrophobicContact CD2-CG1 3.99Å; L246-V281 HydrophobicContact CG-CG1 4.49Å; L246-E284 HydrophobicContact CD1-CG 4.26Å |
| 247 | D | 90.6 | Very high | 88.6 | Confident | 105 Ų | 105 | 41.9 Ų | 41.9 | 56% | 0.561 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -62 | -32.4 | 177 | -74.7 | -41 | 0 | 0 | 0 | 112.6 | G244 T251 | G244-D247 PolarHBondContact O-N 3.19Å; D247-T251 WeakPolarHBondContact O-CB 3.45Å; D247-T251 PolarHBondContact O-N 2.69Å; D247-T251 VanDerWaalsContact O-N 3.12Å; D247-T251 PolarHBondContact O-OG1 3.42Å |
| 248 | L | 92.3 | Very high | 88.4 | Confident | 5 Ų | 5 | 41.4 Ų | 41.4 | 3% | 0.026 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -70.3 | -48.9 | 173.1 | -65.1 | 173.3 | 0 | 0 | 0 | 110.6 | L176 L179 L180 T183 I245 L246 Y250 T251 Y252 | L176-L248 HydrophobicContact CD2-CD1 4.44Å; L179-L248 HydrophobicContact CB-CD1 3.92Å; L179-L248 HydrophobicContact CD1-CD1 4.5Å; L180-L248 HydrophobicContact CD2-CD2 3.89Å; L180-L248 HydrophobicContact CG-CD2 4.26Å; T183-L248 HydrophobicContact CG2-CD2 4.29Å; I245-L248 HydrophobicContact CD1-CB 4.36Å; I245-L248 HydrophobicContact CD1-CD1 4.02Å; I245-L248 WeakPolarHBondContact O-CB 3.25Å; I245-L248 PolarHBondContact O-N 2.8Å; L246-L248 PolarHBondContact O-N 2.93Å; L248-Y250 PolarHBondContact O-N 3.02Å; L248-T251 WeakPolarHBondContact O-CA 3.41Å; L248-T251 VanDerWaalsContact O-CB 3.26Å; L248-T251 WeakPolarHBondContact O-CB 3.26Å; L248-T251 PolarHBondContact O-N 3.21Å; L248-Y252 HydrophobicContact CB-CE2 3.88Å; L248-Y252 WeakPolarHBondContact O-CD2 3.46Å; L248-Y252 WeakPolarHBondContact O-CE2 3.48Å; L248-Y252 VanDerWaalsContact O-CG 3.25Å; L248-Y252 PolarHBondContact O-N 3.27Å |
| 249 | I | 92.5 | Very high | 88.1 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -57.3 | -47 | 176.4 | -71.5 | 165.4 | 0 | 0 | 0 | 111.1 | I245 L246 T251 Y252 L253 L271 L272 L275 | I245-I249 HydrophobicContact CG1-CD1 4.09Å; I245-I249 WeakPolarHBondContact O-CG1 3.48Å; I245-I249 PolarHBondContact O-N 2.58Å; L246-I249 PolarHBondContact O-N 3.34Å; L246-I249 VanDerWaalsContact O-N 3.15Å; I249-T251 VanDerWaalsContact C-N 3.27Å; I249-T251 PolarHBondContact O-N 2.71Å; I249-Y252 PolarHBondContact O-N 2.91Å; I249-L253 HydrophobicContact CG2-CD1 3.86Å; I249-L253 HydrophobicContact CG2-CG 4.5Å; I249-L253 WeakPolarHBondContact O-CG 3.4Å; I249-L253 PolarHBondContact O-N 3.1Å; I249-L271 HydrophobicContact CD1-CD2 4.16Å; I249-L271 HydrophobicContact CD1-CG 4.18Å; I249-L271 HydrophobicContact CG1-CD2 4.44Å; I249-L272 HydrophobicContact CD1-CB 4.3Å; I249-L272 HydrophobicContact CG2-CB 4.08Å; I249-L272 HydrophobicContact CG2-CD1 4.39Å; I249-L272 HydrophobicContact CG2-CD2 4.15Å; I249-L272 HydrophobicContact CG2-CG 4.43Å; I249-L275 HydrophobicContact CD1-CD1 3.9Å |
| 250 | Y | 91.3 | Very high | 87.8 | Confident | 25 Ų | 25 | 42.1 Ų | 42.1 | 10% | 0.098 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.5 | -30.1 | 176 | -63.7 | -47.3 | 0 | 0 | 0 | 113.4 | L246 L248 L253 M254 F285 Q288 G290 | L246-Y250 HydrophobicContact CB-CD2 4.43Å; L246-Y250 HydrophobicContact CB-CE2 3.99Å; L246-Y250 WeakPolarHBondContact O-CD2 3.28Å; L246-Y250 PolarHBondContact O-N 3.26Å; L248-Y250 PolarHBondContact O-N 3.02Å; Y250-L253 HydrophobicContact CD1-CD1 4Å; Y250-M254 WeakPolarHBondContact O-CG 3.31Å; Y250-F285 HydrophobicContact CE1-CD2 4.11Å; Y250-F285 HydrophobicContact CE1-CE2 4.28Å; Y250-F285 WeakPolarHBondContact OH-CA 3.48Å; Y250-F285 WeakPolarHBondContact OH-CD2 3.23Å; Y250-Q288 HydrophobicContact CE2-CB 4.35Å; Y250-Q288 VanDerWaalsContact CE2-OE1 3.29Å; Y250-G290 VanDerWaalsContact CE1-CA 3.46Å |
| 251 | T | 91.4 | Very high | 87.6 | Confident | 12 Ų | 12 | 42.6 Ų | 42.6 | 7% | 0.074 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.6 | -44 | 169.6 | -68.9 | 0 | 0 | 0 | 0 | 111.4 | T183 K187 D247 L248 I249 L253 M254 | T183-T251 HydrophobicContact CG2-CG2 3.65Å; K187-T251 VanDerWaalsContact NZ-CG2 3.3Å; K187-T251 PolarHBondContact NZ-OG1 2.93Å; D247-T251 WeakPolarHBondContact O-CB 3.45Å; D247-T251 PolarHBondContact O-N 2.69Å; D247-T251 VanDerWaalsContact O-N 3.12Å; D247-T251 PolarHBondContact O-OG1 3.42Å; L248-T251 WeakPolarHBondContact O-CA 3.41Å; L248-T251 VanDerWaalsContact O-CB 3.26Å; L248-T251 WeakPolarHBondContact O-CB 3.26Å; L248-T251 PolarHBondContact O-N 3.21Å; I249-T251 VanDerWaalsContact C-N 3.27Å; I249-T251 PolarHBondContact O-N 2.71Å; T251-L253 VanDerWaalsContact C-N 3.3Å; T251-L253 PolarHBondContact O-N 3.12Å; T251-M254 WeakPolarHBondContact O-CB 3.35Å; T251-M254 WeakPolarHBondContact O-CG 3.22Å; T251-M254 PolarHBondContact O-N 2.8Å |
| 252 | Y | 92 | Very high | 87.6 | Confident | 1 Ų | 1 | 39.6 Ų | 39.6 | 0% | 0.004 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -75.3 | -18 | -179 | -49.5 | -41.1 | 0 | 0 | 0 | 113.7 | T183 I220 I224 L248 I249 M254 L264 T265 A268 | T183-Y252 HydrophobicContact CG2-CE1 4.26Å; T183-Y252 WeakPolarHBondContact OG1-CE1 3.45Å; T183-Y252 PolarHBondContact OG1-OH 2.87Å; I220-Y252 HydrophobicContact CD1-CE1 4.18Å; I220-Y252 HydrophobicContact CG2-CE1 3.82Å; I220-Y252 HydrophobicContact CG2-CE2 3.94Å; I220-Y252 VanDerWaalsContact CG2-CZ 3.48Å; I220-Y252 WeakPolarHBondContact CG2-OH 3.26Å; I224-Y252 HydrophobicContact CD1-CD2 3.94Å; I224-Y252 HydrophobicContact CD1-CE2 3.76Å; L248-Y252 HydrophobicContact CB-CE2 3.88Å; L248-Y252 WeakPolarHBondContact O-CD2 3.46Å; L248-Y252 WeakPolarHBondContact O-CE2 3.48Å; L248-Y252 VanDerWaalsContact O-CG 3.25Å; L248-Y252 PolarHBondContact O-N 3.27Å; I249-Y252 PolarHBondContact O-N 2.91Å; Y252-M254 VanDerWaalsContact C-N 3.32Å; Y252-L264 HydrophobicContact CD1-CD1 4.38Å; Y252-L264 HydrophobicContact CD1-CD2 4.17Å; Y252-L264 HydrophobicContact CD1-CG 4.42Å; Y252-L264 HydrophobicContact CD2-CD1 4.41Å; Y252-L264 HydrophobicContact CG-CD1 4.21Å; Y252-L264 HydrophobicContact CG-CG 4.38Å; Y252-T265 PolarHBondContact O-OG1 3.28Å; Y252-A268 HydrophobicContact CD2-CB 3.88Å; Y252-A268 HydrophobicContact CG-CB 4.31Å |
| 253 | L | 90.8 | Very high | 87.8 | Confident | 6 Ų | 6 | 34.1 Ų | 34.1 | 3% | 0.031 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -8.8 | 169.9 | -74.6 | 165.6 | 0 | 0 | 0 | 113.8 | I249 Y250 T251 T265 L269 V294 V297 | I249-L253 HydrophobicContact CG2-CD1 3.86Å; I249-L253 HydrophobicContact CG2-CG 4.5Å; I249-L253 WeakPolarHBondContact O-CG 3.4Å; I249-L253 PolarHBondContact O-N 3.1Å; Y250-L253 HydrophobicContact CD1-CD1 4Å; T251-L253 VanDerWaalsContact C-N 3.3Å; T251-L253 PolarHBondContact O-N 3.12Å; L253-T265 HydrophobicContact CD2-CG2 4.04Å; L253-L269 HydrophobicContact CD2-CD1 4.34Å; L253-L269 HydrophobicContact CD2-CD2 3.72Å; L253-L269 HydrophobicContact CD2-CG 3.89Å; L253-V294 HydrophobicContact CD1-CG2 4.1Å; L253-V294 HydrophobicContact CD2-CG2 4.49Å; L253-V297 HydrophobicContact CD2-CG2 3.72Å |
| 254 | M | 87.5 | Confident | 88.1 | Confident | 89 Ų | 89 | 32.6 Ų | 32.6 | 44% | 0.438 | 18% | 0.177 | S | C | . | . | S | Bend | trans | -66.3 | 135.7 | 178.8 | -66.4 | -171.6 | 174.3 | 0 | 0 | 110.8 | Y250 T251 Y252 E256 V257 A258 | Y250-M254 WeakPolarHBondContact O-CG 3.31Å; T251-M254 WeakPolarHBondContact O-CB 3.35Å; T251-M254 WeakPolarHBondContact O-CG 3.22Å; T251-M254 PolarHBondContact O-N 2.8Å; Y252-M254 VanDerWaalsContact C-N 3.32Å; M254-E256 PolarHBondContact O-N 3.19Å; M254-V257 PolarHBondContact O-N 3.46Å; M254-A258 PolarHBondContact O-N 3.18Å |
| 255 | P | 82.6 | Confident | 88.2 | Confident | 79 Ų | 79 | 31.3 Ų | 31.3 | 51% | 0.513 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -54.9 | -30.3 | -178.5 | -28.9 | 35.7 | 0 | 0 | 0 | 114.3 | S259 | P255-S259 VanDerWaalsContact O-CB 3.28Å; P255-S259 WeakPolarHBondContact O-CB 3.16Å; P255-S259 PolarHBondContact O-N 2.9Å; P255-S259 PolarHBondContact O-OG 2.88Å |
| 256 | E | 84.2 | Confident | 88.2 | Confident | 134 Ų | 134 | 31.7 Ų | 31.7 | 63% | 0.626 | 17% | 0.165 | S | C | * | . | H | α-helix | trans | -60.7 | -46.7 | 175.1 | -60.4 | 176 | -176.1 | 0 | 0 | 111.5 | L190 M254 S259 | L190-E256 HydrophobicContact CD2-CB 3.72Å; M254-E256 PolarHBondContact O-N 3.19Å; E256-S259 PolarHBondContact O-OG 3.39Å |
| 257 | V | 85.6 | Confident | 88.2 | Confident | 10 Ų | 10 | 32.3 Ų | 32.3 | 6% | 0.061 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -71.9 | -44.6 | 177.1 | 179.3 | 0 | 0 | 0 | 0 | 111.1 | L186 M254 S259 R260 D261 L264 | L186-V257 HydrophobicContact CD2-CG1 4.09Å; L186-V257 HydrophobicContact CD2-CG2 4.32Å; M254-V257 PolarHBondContact O-N 3.46Å; V257-S259 PolarHBondContact O-N 2.89Å; V257-R260 WeakPolarHBondContact O-CB 3.43Å; V257-R260 PolarHBondContact O-N 3.36Å; V257-D261 PolarHBondContact O-N 2.84Å; V257-D261 VanDerWaalsContact O-N 3.08Å; V257-L264 HydrophobicContact CG1-CD2 3.78Å; V257-L264 HydrophobicContact CG1-CG 4.4Å |
| 258 | A | 83.2 | Confident | 88.4 | Confident | 3 Ų | 3 | 27.3 Ų | 27.3 | 3% | 0.025 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -60.5 | -29.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113 | M254 R260 I262 T265 P298 | M254-A258 PolarHBondContact O-N 3.18Å; A258-R260 VanDerWaalsContact C-N 3.27Å; A258-R260 PolarHBondContact O-N 3.32Å; A258-I262 HydrophobicContact CB-CD1 4.12Å; A258-T265 WeakPolarHBondContact CA-OG1 3.22Å; A258-T265 HydrophobicContact CB-CG2 4.37Å; A258-T265 WeakPolarHBondContact CB-OG1 3.44Å; A258-P298 HydrophobicContact CB-CG 4.26Å |
| 259 | S | 80.7 | Confident | 88.5 | Confident | 72 Ų | 72 | 27 Ų | 27 | 50% | 0.503 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -13.5 | 174.7 | 75.5 | 0 | 0 | 0 | 0 | 114.6 | N204 P255 E256 V257 | N204-S259 PolarHBondContact ND2-O 3.46Å; N204-S259 VanDerWaalsContact ND2-O 3.13Å; P255-S259 VanDerWaalsContact O-CB 3.28Å; P255-S259 WeakPolarHBondContact O-CB 3.16Å; P255-S259 PolarHBondContact O-N 2.9Å; P255-S259 PolarHBondContact O-OG 2.88Å; E256-S259 PolarHBondContact O-OG 3.39Å; V257-S259 PolarHBondContact O-N 2.89Å |
| 260 | R | 82.1 | Confident | 88.4 | Confident | 72 Ų | 72 | 29.4 Ų | 29.4 | 27% | 0.272 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.4 | -48.9 | -177.1 | -178.7 | 176.5 | 168.3 | -179.9 | -9.8 | 112.7 | E189 E217 V257 A258 | E189-R260 VanDerWaalsContact CB-NH1 3.27Å; E189-R260 IonicContact OE2-CZ 3.18Å; E189-R260 IonicContact OE2-NH1 4Å; E189-R260 PolarHBondContact OE2-NH1 2.87Å; E189-R260 IonicContact OE2-NH2 2.69Å; E189-R260 PolarHBondContact OE2-NH2 3.42Å; E217-R260 VanDerWaalsContact CD-NE 3.28Å; E217-R260 IonicContact OE1-CZ 2.72Å; E217-R260 VanDerWaalsContact OE1-CZ 3.26Å; E217-R260 IonicContact OE1-NE 2.78Å; E217-R260 PolarHBondContact OE1-NE 3.34Å; E217-R260 IonicContact OE1-NH2 2.64Å; E217-R260 PolarHBondContact OE1-NH2 3.41Å; E217-R260 IonicContact OE2-CZ 3.82Å; E217-R260 IonicContact OE2-NE 3Å; E217-R260 IonicContact OE2-NH2 3.26Å; E217-R260 PolarHBondContact OE2-NH2 3.35Å; V257-R260 WeakPolarHBondContact O-CB 3.43Å; V257-R260 PolarHBondContact O-N 3.36Å; A258-R260 VanDerWaalsContact C-N 3.27Å; A258-R260 PolarHBondContact O-N 3.32Å |
| 261 | D | 85.7 | Confident | 88.5 | Confident | 11 Ų | 11 | 28.2 Ų | 28.2 | 6% | 0.059 | 14% | 0.144 | C | C | . | . | trans | -140.8 | 103.5 | 165.3 | -174.2 | -1.6 | 0 | 0 | 0 | 110.1 | E217 R221 V257 R263 L264 | E217-D261 HydrophobicContact CB-CB 4.03Å; E217-D261 HydrophobicContact CG-CB 4.01Å; R221-D261 WeakPolarHBondContact CD-OD2 3.38Å; R221-D261 IonicContact CZ-OD2 3.8Å; R221-D261 IonicContact NE-OD2 2.73Å; R221-D261 IonicContact NH1-OD1 3.63Å; R221-D261 IonicContact NH1-OD2 3.47Å; R221-D261 PolarHBondContact NH1-OD2 2.86Å; V257-D261 PolarHBondContact O-N 2.84Å; V257-D261 VanDerWaalsContact O-N 3.08Å; D261-R263 VanDerWaalsContact C-N 3.28Å; D261-R263 PolarHBondContact O-N 3.47Å; D261-R263 WeakPolarHBondContact OD1-CB 3.42Å; D261-R263 PolarHBondContact OD1-N 2.92Å; D261-L264 HydrophobicContact CB-CB 4.11Å; D261-L264 WeakPolarHBondContact O-CB 3.13Å; D261-L264 PolarHBondContact O-N 2.87Å; D261-L264 PolarHBondContact OD1-N 3.34Å | ||
| 262 | I | 87.2 | Confident | 88.6 | Confident | 3 Ų | 3 | 27.6 Ų | 27.6 | 2% | 0.015 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -68.6 | -24.4 | 178.7 | -165.3 | 58.5 | 0 | 0 | 0 | 113 | N204 L205 A258 L264 T265 F266 P298 A303 | N204-I262 WeakPolarHBondContact O-CG2 3.21Å; L205-I262 WeakPolarHBondContact O-CG2 3.47Å; A258-I262 HydrophobicContact CB-CD1 4.12Å; I262-L264 VanDerWaalsContact C-N 3.33Å; I262-T265 PolarHBondContact O-N 3.06Å; I262-F266 PolarHBondContact O-N 3.46Å; I262-P298 HydrophobicContact CD1-CG 4.38Å; I262-A303 HydrophobicContact CD1-CB 3.68Å; I262-A303 HydrophobicContact CG1-CB 3.98Å |
| 263 | R | 88.4 | Confident | 88.5 | Confident | 21 Ų | 21 | 27.6 Ų | 27.6 | 8% | 0.079 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -74.5 | -23.9 | 173.1 | -76.7 | -170.4 | -176.4 | -103.3 | -8 | 112 | F48 L206 D261 F266 E267 | F48-R263 VanDerWaalsContact CG-NH2 3.31Å; L206-R263 PolarHBondContact O-NE 3.45Å; L206-R263 PolarHBondContact O-NH2 3.41Å; D261-R263 VanDerWaalsContact C-N 3.28Å; D261-R263 PolarHBondContact O-N 3.47Å; D261-R263 WeakPolarHBondContact OD1-CB 3.42Å; D261-R263 PolarHBondContact OD1-N 2.92Å; R263-F266 PolarHBondContact O-N 2.87Å; R263-E267 WeakPolarHBondContact O-CG 3.32Å; R263-E267 PolarHBondContact O-N 3.25Å |
| 264 | L | 91.1 | Very high | 88.4 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -65.6 | -41.3 | 167.8 | 170.6 | 57.8 | 0 | 0 | 0 | 110.9 | L186 E217 I220 R221 I224 Y252 V257 D261 I262 E267 A268 | L186-L264 HydrophobicContact CD2-CD2 4.06Å; E217-L264 HydrophobicContact CB-CD2 4.48Å; I220-L264 HydrophobicContact CB-CD1 4.05Å; I220-L264 HydrophobicContact CD1-CD2 4.43Å; I220-L264 HydrophobicContact CG2-CD1 3.35Å; I220-L264 HydrophobicContact CG2-CD2 4.35Å; R221-L264 HydrophobicContact CG-CB 3.91Å; R221-L264 HydrophobicContact CG-CD1 3.96Å; I224-L264 HydrophobicContact CD1-CD1 3.81Å; Y252-L264 HydrophobicContact CD1-CD1 4.38Å; Y252-L264 HydrophobicContact CD1-CD2 4.17Å; Y252-L264 HydrophobicContact CD1-CG 4.42Å; Y252-L264 HydrophobicContact CD2-CD1 4.41Å; Y252-L264 HydrophobicContact CG-CD1 4.21Å; Y252-L264 HydrophobicContact CG-CG 4.38Å; V257-L264 HydrophobicContact CG1-CD2 3.78Å; V257-L264 HydrophobicContact CG1-CG 4.4Å; D261-L264 HydrophobicContact CB-CB 4.11Å; D261-L264 WeakPolarHBondContact O-CB 3.13Å; D261-L264 PolarHBondContact O-N 2.87Å; D261-L264 PolarHBondContact OD1-N 3.34Å; I262-L264 VanDerWaalsContact C-N 3.33Å; L264-E267 PolarHBondContact O-N 3.17Å; L264-A268 WeakPolarHBondContact O-CB 3.25Å; L264-A268 PolarHBondContact O-N 2.89Å |
| 265 | T | 91.6 | Very high | 88.5 | Confident | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -66.6 | -35.8 | 173.9 | -53.3 | 0 | 0 | 0 | 0 | 112.2 | Y252 L253 A258 I262 L269 V297 A303 | Y252-T265 PolarHBondContact O-OG1 3.28Å; L253-T265 HydrophobicContact CD2-CG2 4.04Å; A258-T265 WeakPolarHBondContact CA-OG1 3.22Å; A258-T265 HydrophobicContact CB-CG2 4.37Å; A258-T265 WeakPolarHBondContact CB-OG1 3.44Å; I262-T265 PolarHBondContact O-N 3.06Å; T265-L269 HydrophobicContact CG2-CD1 4.21Å; T265-L269 WeakPolarHBondContact O-CB 3.38Å; T265-L269 WeakPolarHBondContact O-CD1 3.34Å; T265-L269 WeakPolarHBondContact O-CG 3.14Å; T265-L269 PolarHBondContact O-N 3.09Å; T265-V297 HydrophobicContact CG2-CG2 4.33Å; T265-A303 HydrophobicContact CG2-CB 4.1Å |
| 266 | F | 91.3 | Very high | 88.7 | Confident | 8 Ų | 8 | 20.1 Ų | 20.1 | 4% | 0.035 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -60.5 | -51.9 | 171.7 | 173.6 | -94.5 | 0 | 0 | 0 | 112.3 | P54 F55 I262 R263 A268 L269 R270 V302 A303 A306 | P54-F266 HydrophobicContact CB-CE2 3.75Å; P54-F266 HydrophobicContact CB-CZ 3.74Å; P54-F266 HydrophobicContact CG-CE2 3.82Å; P54-F266 HydrophobicContact CG-CZ 4.27Å; F55-F266 HydrophobicContact CD2-CE2 4.47Å; F55-F266 HydrophobicContact CE1-CZ 4.25Å; F55-F266 AromaticContact CE2-CE2 3.71Å; F55-F266 HydrophobicContact CE2-CE2 3.71Å; F55-F266 HydrophobicContact CE2-CZ 4.17Å; F55-F266 AromaticContact CZ-CE2 3.72Å; F55-F266 HydrophobicContact CZ-CE2 3.72Å; F55-F266 AromaticContact CZ-CZ 3.92Å; F55-F266 HydrophobicContact CZ-CZ 3.92Å; I262-F266 PolarHBondContact O-N 3.46Å; R263-F266 PolarHBondContact O-N 2.87Å; F266-A268 VanDerWaalsContact C-N 3.29Å; F266-A268 PolarHBondContact O-N 2.89Å; F266-L269 WeakPolarHBondContact O-CB 3.35Å; F266-L269 PolarHBondContact O-N 3.04Å; F266-L269 VanDerWaalsContact O-N 3.08Å; F266-R270 PolarHBondContact O-N 3.43Å; F266-V302 HydrophobicContact CD2-CG1 3.95Å; F266-V302 WeakPolarHBondContact CD2-O 3.39Å; F266-V302 HydrophobicContact CE2-CG1 4.39Å; F266-V302 HydrophobicContact CG-CG1 4.2Å; F266-A303 HydrophobicContact CB-CB 4.25Å; F266-A306 HydrophobicContact CD2-CB 3.73Å; F266-A306 HydrophobicContact CE2-CB 3.88Å |
| 267 | E | 91.3 | Very high | 88.4 | Confident | 22 Ų | 22 | 15.8 Ų | 15.8 | 10% | 0.103 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -62.5 | -37.3 | 179.7 | -65 | -71.2 | -167.5 | 0 | 0 | 111.8 | R221 I224 I228 R263 L264 L269 R270 L271 | R221-E267 HydrophobicContact CG-CG 4.28Å; I224-E267 HydrophobicContact CB-CB 4.48Å; I224-E267 HydrophobicContact CG2-CB 3.84Å; I224-E267 WeakPolarHBondContact CG2-O 3.4Å; I228-E267 WeakPolarHBondContact CD1-OE2 3.4Å; R263-E267 WeakPolarHBondContact O-CG 3.32Å; R263-E267 PolarHBondContact O-N 3.25Å; L264-E267 PolarHBondContact O-N 3.17Å; E267-L269 VanDerWaalsContact C-N 3.34Å; E267-L269 PolarHBondContact O-N 3.32Å; E267-R270 PolarHBondContact O-N 3.46Å; E267-R270 IonicContact OE1-NH2 3.46Å; E267-R270 PolarHBondContact OE1-NH2 3.46Å; E267-R270 IonicContact OE2-CZ 2.86Å; E267-R270 IonicContact OE2-NE 3.15Å; E267-R270 PolarHBondContact OE2-NE 3.44Å; E267-R270 IonicContact OE2-NH2 3.5Å; E267-R270 PolarHBondContact OE2-NH2 3.48Å; E267-L271 WeakPolarHBondContact O-CB 3.46Å; E267-L271 PolarHBondContact O-N 3.1Å |
| 268 | A | 93.8 | Very high | 88.3 | Confident | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -65.6 | -33.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113 | Y252 L264 F266 L272 | Y252-A268 HydrophobicContact CD2-CB 3.88Å; Y252-A268 HydrophobicContact CG-CB 4.31Å; L264-A268 WeakPolarHBondContact O-CB 3.25Å; L264-A268 PolarHBondContact O-N 2.89Å; F266-A268 VanDerWaalsContact C-N 3.29Å; F266-A268 PolarHBondContact O-N 2.89Å; A268-L272 WeakPolarHBondContact O-CB 3.39Å; A268-L272 PolarHBondContact O-N 3.46Å |
| 269 | L | 93.9 | Very high | 88.2 | Confident | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -73.4 | -37.1 | 173.2 | -77.4 | 162.3 | 0 | 0 | 0 | 112.4 | L253 T265 F266 E267 L272 A273 V294 V297 A303 A306 V307 V310 | L253-L269 HydrophobicContact CD2-CD1 4.34Å; L253-L269 HydrophobicContact CD2-CD2 3.72Å; L253-L269 HydrophobicContact CD2-CG 3.89Å; T265-L269 HydrophobicContact CG2-CD1 4.21Å; T265-L269 WeakPolarHBondContact O-CB 3.38Å; T265-L269 WeakPolarHBondContact O-CD1 3.34Å; T265-L269 WeakPolarHBondContact O-CG 3.14Å; T265-L269 PolarHBondContact O-N 3.09Å; F266-L269 WeakPolarHBondContact O-CB 3.35Å; F266-L269 PolarHBondContact O-N 3.04Å; F266-L269 VanDerWaalsContact O-N 3.08Å; E267-L269 VanDerWaalsContact C-N 3.34Å; E267-L269 PolarHBondContact O-N 3.32Å; L269-L272 WeakPolarHBondContact O-CB 3.24Å; L269-L272 PolarHBondContact O-N 3.21Å; L269-A273 PolarHBondContact O-N 3.16Å; L269-V294 HydrophobicContact CD2-CG1 4.27Å; L269-V294 HydrophobicContact CD2-CG2 4.12Å; L269-V297 HydrophobicContact CD1-CG1 4.33Å; L269-V297 HydrophobicContact CD1-CG2 4.08Å; L269-A303 HydrophobicContact CD1-CB 4.13Å; L269-A303 WeakPolarHBondContact CD1-O 3.38Å; L269-A306 HydrophobicContact CB-CB 3.49Å; L269-A306 VanDerWaalsContact CB-CB 3.49Å; L269-A306 HydrophobicContact CD1-CB 4.16Å; L269-A306 HydrophobicContact CG-CB 4.44Å; L269-V307 HydrophobicContact CD1-CG2 3.82Å; L269-V307 HydrophobicContact CD2-CG2 4.19Å; L269-V310 HydrophobicContact CB-CG2 4.5Å; L269-V310 HydrophobicContact CD2-CG2 3.98Å; L269-V310 WeakPolarHBondContact O-CG2 3.21Å |
| 270 | R | 91.6 | Very high | 88.4 | Confident | 49 Ų | 49 | 21.4 Ų | 21.4 | 19% | 0.185 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -63.9 | -47 | 173.9 | -175.7 | 160.2 | 65.1 | 150.5 | 0.2 | 110.9 | I228 F266 E267 L272 A273 N274 | I228-R270 HydrophobicContact CD1-CB 4.18Å; I228-R270 HydrophobicContact CD1-CG 4.03Å; I228-R270 HydrophobicContact CG2-CG 4.19Å; F266-R270 PolarHBondContact O-N 3.43Å; E267-R270 PolarHBondContact O-N 3.46Å; E267-R270 IonicContact OE1-NH2 3.46Å; E267-R270 PolarHBondContact OE1-NH2 3.46Å; E267-R270 IonicContact OE2-CZ 2.86Å; E267-R270 IonicContact OE2-NE 3.15Å; E267-R270 PolarHBondContact OE2-NE 3.44Å; E267-R270 IonicContact OE2-NH2 3.5Å; E267-R270 PolarHBondContact OE2-NH2 3.48Å; R270-L272 VanDerWaalsContact C-N 3.29Å; R270-L272 PolarHBondContact O-N 3.15Å; R270-A273 PolarHBondContact O-N 3.36Å; R270-N274 PolarHBondContact O-N 3.4Å; R270-N274 VanDerWaalsContact O-N 3.15Å; R270-N274 PolarHBondContact O-OD1 3.48Å |
| 271 | L | 93 | Very high | 88.6 | Confident | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -59.4 | -39 | 172.2 | -179.3 | 62.7 | 0 | 0 | 0 | 112.5 | I224 L227 I228 A231 M240 I245 I249 E267 L275 | I224-L271 HydrophobicContact CG1-CD2 4.5Å; I224-L271 HydrophobicContact CG2-CB 4Å; I224-L271 HydrophobicContact CG2-CD2 4.05Å; L227-L271 HydrophobicContact CB-CD1 3.86Å; L227-L271 HydrophobicContact CB-CD2 4.29Å; L227-L271 HydrophobicContact CD1-CD2 4.43Å; I228-L271 HydrophobicContact CG1-CB 3.91Å; I228-L271 HydrophobicContact CG1-CD1 4.13Å; A231-L271 HydrophobicContact CB-CD1 3.86Å; M240-L271 HydrophobicContact CE-CD1 3.84Å; I245-L271 HydrophobicContact CD1-CD2 3.84Å; I245-L271 HydrophobicContact CG1-CD2 3.86Å; I249-L271 HydrophobicContact CD1-CD2 4.16Å; I249-L271 HydrophobicContact CD1-CG 4.18Å; I249-L271 HydrophobicContact CG1-CD2 4.44Å; E267-L271 WeakPolarHBondContact O-CB 3.46Å; E267-L271 PolarHBondContact O-N 3.1Å; L271-L275 HydrophobicContact CD1-CD1 4.44Å; L271-L275 HydrophobicContact CG-CD1 4.2Å; L271-L275 WeakPolarHBondContact O-CB 3.26Å; L271-L275 VanDerWaalsContact O-CG 3.3Å; L271-L275 WeakPolarHBondContact O-CG 3.21Å; L271-L275 PolarHBondContact O-N 2.88Å; L271-L275 VanDerWaalsContact O-N 3.1Å |
| 272 | L | 92.9 | Very high | 88.4 | Confident | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -64.9 | -45 | 175.5 | -180 | 61.2 | 0 | 0 | 0 | 112 | L246 I249 A268 L269 R270 N274 L275 L276 F285 V294 V310 | L246-L272 HydrophobicContact CD2-CD1 4.1Å; I249-L272 HydrophobicContact CD1-CB 4.3Å; I249-L272 HydrophobicContact CG2-CB 4.08Å; I249-L272 HydrophobicContact CG2-CD1 4.39Å; I249-L272 HydrophobicContact CG2-CD2 4.15Å; I249-L272 HydrophobicContact CG2-CG 4.43Å; A268-L272 WeakPolarHBondContact O-CB 3.39Å; A268-L272 PolarHBondContact O-N 3.46Å; L269-L272 WeakPolarHBondContact O-CB 3.24Å; L269-L272 PolarHBondContact O-N 3.21Å; R270-L272 VanDerWaalsContact C-N 3.29Å; R270-L272 PolarHBondContact O-N 3.15Å; L272-N274 VanDerWaalsContact C-N 3.33Å; L272-N274 PolarHBondContact O-N 2.87Å; L272-L275 PolarHBondContact O-N 3.46Å; L272-L276 HydrophobicContact CD1-CD1 4.1Å; L272-L276 HydrophobicContact CD1-CD2 4.43Å; L272-L276 HydrophobicContact CD1-CG 4.06Å; L272-L276 HydrophobicContact CD2-CD1 4.49Å; L272-L276 HydrophobicContact CG-CD1 3.83Å; L272-L276 HydrophobicContact CG-CG 4.26Å; L272-L276 WeakPolarHBondContact O-CG 3.12Å; L272-L276 PolarHBondContact O-N 3.36Å; L272-F285 HydrophobicContact CD1-CD2 4.14Å; L272-F285 HydrophobicContact CD2-CD2 4.2Å; L272-F285 HydrophobicContact CD2-CE2 3.76Å; L272-V294 HydrophobicContact CD2-CG2 3.97Å; L272-V310 HydrophobicContact CB-CG2 4.38Å; L272-V310 HydrophobicContact CD2-CG1 4.21Å; L272-V310 HydrophobicContact CD2-CG2 4.21Å; L272-V310 HydrophobicContact CG-CG2 4.27Å |
| 273 | A | 89.6 | Confident | 88.3 | Confident | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.008 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -55.7 | -49.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | L269 R270 L275 L276 V309 V310 Y313 | L269-A273 PolarHBondContact O-N 3.16Å; R270-A273 PolarHBondContact O-N 3.36Å; A273-L275 VanDerWaalsContact C-N 3.34Å; A273-L275 PolarHBondContact O-N 3.48Å; A273-L276 WeakPolarHBondContact O-CB 3.06Å; A273-L276 PolarHBondContact O-N 3.28Å; A273-V309 HydrophobicContact CB-CB 4.24Å; A273-V309 HydrophobicContact CB-CG1 3.89Å; A273-V310 HydrophobicContact CB-CG2 3.97Å; A273-Y313 HydrophobicContact CB-CD2 4.03Å; A273-Y313 HydrophobicContact CB-CE2 4.33Å |
| 274 | N | 88.3 | Confident | 88.2 | Confident | 16 Ų | 16 | 20.7 Ų | 20.7 | 9% | 0.086 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -62.6 | -38.9 | 178.7 | -70.2 | 27.5 | 0 | 0 | 0 | 112.3 | I228 A231 E232 R270 L272 L276 C277 | I228-N274 PolarHBondContact O-ND2 3.36Å; A231-N274 HydrophobicContact CB-CB 3.7Å; E232-N274 HydrophobicContact CG-CB 3.77Å; E232-N274 PolarHBondContact OE1-ND2 3.3Å; R270-N274 PolarHBondContact O-N 3.4Å; R270-N274 VanDerWaalsContact O-N 3.15Å; R270-N274 PolarHBondContact O-OD1 3.48Å; L272-N274 VanDerWaalsContact C-N 3.33Å; L272-N274 PolarHBondContact O-N 2.87Å; N274-L276 VanDerWaalsContact C-N 3.31Å; N274-L276 PolarHBondContact O-N 2.63Å; N274-C277 PolarHBondContact O-SG 3.1Å |
| 275 | L | 89.7 | Confident | 88 | Confident | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -69 | -25.6 | 174.4 | -74.6 | 172.6 | 0 | 0 | 0 | 113.7 | A231 M237 M240 I245 I249 L271 L272 A273 C277 H278 V281 | A231-L275 HydrophobicContact CB-CD2 3.81Å; A231-L275 HydrophobicContact CB-CG 3.85Å; M237-L275 HydrophobicContact CG-CD2 3.64Å; M240-L275 HydrophobicContact CE-CD2 4.23Å; I245-L275 HydrophobicContact CG1-CD1 4.32Å; I245-L275 HydrophobicContact CG2-CD1 3.74Å; I249-L275 HydrophobicContact CD1-CD1 3.9Å; L271-L275 HydrophobicContact CD1-CD1 4.44Å; L271-L275 HydrophobicContact CG-CD1 4.2Å; L271-L275 WeakPolarHBondContact O-CB 3.26Å; L271-L275 VanDerWaalsContact O-CG 3.3Å; L271-L275 WeakPolarHBondContact O-CG 3.21Å; L271-L275 PolarHBondContact O-N 2.88Å; L271-L275 VanDerWaalsContact O-N 3.1Å; L272-L275 PolarHBondContact O-N 3.46Å; A273-L275 VanDerWaalsContact C-N 3.34Å; A273-L275 PolarHBondContact O-N 3.48Å; L275-C277 VanDerWaalsContact C-N 3.28Å; L275-C277 PolarHBondContact O-N 3.15Å; L275-H278 PolarHBondContact O-N 3.23Å; L275-V281 HydrophobicContact CB-CG1 4.23Å; L275-V281 WeakPolarHBondContact O-CB 3.33Å |
| 276 | L | 87 | Confident | 87.7 | Confident | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -6.9 | -179 | -72.4 | 169.6 | 0 | 0 | 0 | 113.9 | L272 A273 N274 H278 Y282 F285 V310 T314 | L272-L276 HydrophobicContact CD1-CD1 4.1Å; L272-L276 HydrophobicContact CD1-CD2 4.43Å; L272-L276 HydrophobicContact CD1-CG 4.06Å; L272-L276 HydrophobicContact CD2-CD1 4.49Å; L272-L276 HydrophobicContact CG-CD1 3.83Å; L272-L276 HydrophobicContact CG-CG 4.26Å; L272-L276 WeakPolarHBondContact O-CG 3.12Å; L272-L276 PolarHBondContact O-N 3.36Å; A273-L276 WeakPolarHBondContact O-CB 3.06Å; A273-L276 PolarHBondContact O-N 3.28Å; N274-L276 VanDerWaalsContact C-N 3.31Å; N274-L276 PolarHBondContact O-N 2.63Å; L276-H278 PolarHBondContact O-N 2.73Å; L276-H278 VanDerWaalsContact O-N 3.12Å; L276-Y282 HydrophobicContact CD2-CD2 4Å; L276-F285 HydrophobicContact CD2-CB 3.9Å; L276-F285 HydrophobicContact CD2-CD1 4.18Å; L276-F285 HydrophobicContact CD2-CG 3.99Å; L276-V310 HydrophobicContact CD1-CG1 3.83Å; L276-T314 HydrophobicContact CD1-CG2 4.22Å |
| 277 | C | 78.2 | Confident | 87.5 | Confident | 43 Ų | 43 | 27 Ų | 27 | 29% | 0.291 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -19.1 | 167 | 75.3 | 0 | 0 | 0 | 0 | 112.5 | N274 L275 F317 | N274-C277 PolarHBondContact O-SG 3.1Å; L275-C277 VanDerWaalsContact C-N 3.28Å; L275-C277 PolarHBondContact O-N 3.15Å; C277-F317 VanDerWaalsContact O-CZ 3.31Å; C277-F317 WeakPolarHBondContact O-CZ 3.49Å |
| 278 | H | 83 | Confident | 87.2 | Confident | 27 Ų | 27 | 29.8 Ų | 29.8 | 13% | 0.125 | 15% | 0.146 | C | C | . | . | S | Bend | trans | -102.1 | 115.1 | 178.1 | -67 | -45.4 | 0 | 0 | 0 | 112.9 | Q234 M237 L275 L276 C280 V281 Y282 | Q234-H278 WeakPolarHBondContact CA-NE2 3.49Å; M237-H278 HydrophobicContact CE-CB 3.91Å; M237-H278 WeakPolarHBondContact CE-CD2 3.37Å; L275-H278 PolarHBondContact O-N 3.23Å; L276-H278 PolarHBondContact O-N 2.73Å; L276-H278 VanDerWaalsContact O-N 3.12Å; H278-C280 PolarHBondContact O-N 3.43Å; H278-V281 HydrophobicContact CB-CG2 4.15Å; H278-V281 PolarHBondContact O-N 3.24Å; H278-Y282 PolarHBondContact O-N 2.8Å; H278-Y282 VanDerWaalsContact O-N 3.12Å |
| 279 | R | 82.8 | Confident | 86.8 | Confident | 107 Ų | 107 | 33.4 Ų | 33.4 | 40% | 0.404 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -42.4 | -37.2 | 176.8 | -179 | -176.5 | 173.7 | 98.4 | -2.7 | 115 | L283 F317 D319 | R279-L283 HydrophobicContact CG-CD1 4.12Å; R279-L283 VanDerWaalsContact O-CG 3.25Å; R279-L283 WeakPolarHBondContact O-CG 3.28Å; R279-L283 PolarHBondContact O-N 3.01Å; R279-L283 VanDerWaalsContact O-N 3.13Å; R279-F317 HydrophobicContact CB-CD1 4.49Å; R279-F317 HydrophobicContact CB-CE1 4.27Å; R279-F317 HydrophobicContact CB-CE2 4.46Å; R279-F317 HydrophobicContact CB-CZ 4.26Å; R279-D319 IonicContact CZ-OD2 3.1Å; R279-D319 IonicContact NH1-OD2 3.65Å; R279-D319 PolarHBondContact NH1-OD2 3.47Å; R279-D319 IonicContact NH2-OD1 3.2Å; R279-D319 PolarHBondContact NH2-OD1 2.79Å; R279-D319 IonicContact NH2-OD2 2.67Å; R279-D319 PolarHBondContact NH2-OD2 2.99Å |
| 280 | C | 84 | Confident | 86.6 | Confident | 69 Ų | 69 | 33.4 Ų | 33.4 | 47% | 0.466 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -67.6 | -48.5 | 178.8 | 50.3 | 0 | 0 | 0 | 0 | 112.6 | H278 Y282 L283 E284 | H278-C280 PolarHBondContact O-N 3.43Å; C280-Y282 VanDerWaalsContact C-N 3.28Å; C280-Y282 PolarHBondContact O-N 2.83Å; C280-L283 PolarHBondContact O-N 3.31Å; C280-E284 PolarHBondContact O-N 3.48Å |
| 281 | V | 85.9 | Confident | 86.5 | Confident | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.006 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.7 | -40.9 | 177.3 | -171.3 | 0 | 0 | 0 | 0 | 110.3 | M237 Y241 L246 L275 H278 L283 E284 F285 | M237-V281 HydrophobicContact CE-CG2 4.35Å; M237-V281 HydrophobicContact SD-CG2 3.92Å; Y241-V281 HydrophobicContact CD2-CG1 4.39Å; Y241-V281 HydrophobicContact CD2-CG2 3.88Å; Y241-V281 HydrophobicContact CE2-CG2 4.2Å; Y241-V281 HydrophobicContact CG-CG2 4.49Å; L246-V281 HydrophobicContact CD1-CG1 4.17Å; L246-V281 HydrophobicContact CD2-CG1 3.99Å; L246-V281 HydrophobicContact CG-CG1 4.49Å; L275-V281 HydrophobicContact CB-CG1 4.23Å; L275-V281 WeakPolarHBondContact O-CB 3.33Å; H278-V281 HydrophobicContact CB-CG2 4.15Å; H278-V281 PolarHBondContact O-N 3.24Å; V281-L283 PolarHBondContact O-N 2.85Å; V281-E284 PolarHBondContact O-N 2.96Å; V281-F285 WeakPolarHBondContact O-CB 3.37Å; V281-F285 PolarHBondContact O-N 2.94Å |
| 282 | Y | 82.3 | Confident | 86.3 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -56.7 | -50 | 174.9 | 178.2 | -79.2 | 0 | 0 | 0 | 112.8 | L276 H278 C280 E284 F285 V286 T314 A320 V324 | L276-Y282 HydrophobicContact CD2-CD2 4Å; H278-Y282 PolarHBondContact O-N 2.8Å; H278-Y282 VanDerWaalsContact O-N 3.12Å; C280-Y282 VanDerWaalsContact C-N 3.28Å; C280-Y282 PolarHBondContact O-N 2.83Å; Y282-E284 PolarHBondContact O-N 2.93Å; Y282-F285 WeakPolarHBondContact O-CA 3.23Å; Y282-F285 WeakPolarHBondContact O-CB 3.47Å; Y282-F285 PolarHBondContact O-N 3.25Å; Y282-V286 HydrophobicContact CD1-CG2 4.21Å; Y282-V286 HydrophobicContact CE1-CB 4.25Å; Y282-V286 HydrophobicContact CE1-CG2 3.31Å; Y282-V286 HydrophobicContact CE2-CG2 4.14Å; Y282-V286 PolarHBondContact O-N 3.3Å; Y282-V286 WeakPolarHBondContact OH-CG2 3.42Å; Y282-T314 HydrophobicContact CD2-CG2 4.4Å; Y282-T314 VanDerWaalsContact CE2-CA 3.45Å; Y282-T314 HydrophobicContact CE2-CG2 3.77Å; Y282-T314 WeakPolarHBondContact CE2-O 3.38Å; Y282-T314 PolarHBondContact OH-O 2.94Å; Y282-A320 HydrophobicContact CD1-CB 3.27Å; Y282-A320 HydrophobicContact CE1-CB 2.95Å; Y282-A320 HydrophobicContact CE2-CB 4.3Å; Y282-A320 HydrophobicContact CG-CB 4.12Å; Y282-A320 VanDerWaalsContact CZ-CB 3.47Å; Y282-A320 PolarHBondContact OH-O 3.24Å; Y282-V324 WeakPolarHBondContact OH-CG2 3.34Å |
| 283 | L | 83.9 | Confident | 86.1 | Confident | 36 Ų | 36 | 36 Ų | 36 | 19% | 0.188 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.8 | -34.5 | -172.9 | -72.2 | 169 | 0 | 0 | 0 | 111.1 | R279 C280 V281 E287 | R279-L283 HydrophobicContact CG-CD1 4.12Å; R279-L283 VanDerWaalsContact O-CG 3.25Å; R279-L283 WeakPolarHBondContact O-CG 3.28Å; R279-L283 PolarHBondContact O-N 3.01Å; R279-L283 VanDerWaalsContact O-N 3.13Å; C280-L283 PolarHBondContact O-N 3.31Å; V281-L283 PolarHBondContact O-N 2.85Å; L283-E287 WeakPolarHBondContact O-CB 3.46Å; L283-E287 WeakPolarHBondContact O-CG 3.26Å; L283-E287 PolarHBondContact O-N 2.81Å |
| 284 | E | 86 | Confident | 86.2 | Confident | 56 Ų | 56 | 36 Ų | 36 | 26% | 0.262 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -69.9 | -39.4 | 170.2 | -175.2 | 165.5 | -139.4 | 0 | 0 | 112.8 | Y241 L246 C280 V281 Y282 V286 E287 Q288 | Y241-E284 WeakPolarHBondContact CE2-OE2 3.27Å; Y241-E284 PolarHBondContact OH-OE2 2.84Å; L246-E284 HydrophobicContact CD1-CG 4.26Å; C280-E284 PolarHBondContact O-N 3.48Å; V281-E284 PolarHBondContact O-N 2.96Å; Y282-E284 PolarHBondContact O-N 2.93Å; E284-V286 PolarHBondContact O-N 3.28Å; E284-E287 PolarHBondContact O-N 2.89Å; E284-E287 VanDerWaalsContact O-N 3.14Å; E284-Q288 VanDerWaalsContact CD-NE2 3.26Å; E284-Q288 HydrophobicContact CG-CG 3.79Å; E284-Q288 WeakPolarHBondContact O-CB 3.23Å; E284-Q288 WeakPolarHBondContact O-CG 3.48Å; E284-Q288 PolarHBondContact O-N 3.14Å; E284-Q288 PolarHBondContact OE1-NE2 3.37Å |
| 285 | F | 88.4 | Confident | 86.4 | Confident | 1 Ų | 1 | 36.1 Ų | 36.1 | 0% | 0.004 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -57.1 | -36 | 174.3 | 168.3 | -94.4 | 0 | 0 | 0 | 112.7 | Y250 L272 L276 V281 Y282 G290 L291 V294 V310 T314 | Y250-F285 HydrophobicContact CE1-CD2 4.11Å; Y250-F285 HydrophobicContact CE1-CE2 4.28Å; Y250-F285 WeakPolarHBondContact OH-CA 3.48Å; Y250-F285 WeakPolarHBondContact OH-CD2 3.23Å; L272-F285 HydrophobicContact CD1-CD2 4.14Å; L272-F285 HydrophobicContact CD2-CD2 4.2Å; L272-F285 HydrophobicContact CD2-CE2 3.76Å; L276-F285 HydrophobicContact CD2-CB 3.9Å; L276-F285 HydrophobicContact CD2-CD1 4.18Å; L276-F285 HydrophobicContact CD2-CG 3.99Å; V281-F285 WeakPolarHBondContact O-CB 3.37Å; V281-F285 PolarHBondContact O-N 2.94Å; Y282-F285 WeakPolarHBondContact O-CA 3.23Å; Y282-F285 WeakPolarHBondContact O-CB 3.47Å; Y282-F285 PolarHBondContact O-N 3.25Å; F285-G290 VanDerWaalsContact CZ-C 3.42Å; F285-G290 VanDerWaalsContact O-CA 3.28Å; F285-G290 WeakPolarHBondContact O-CA 3.28Å; F285-G290 PolarHBondContact O-N 3.42Å; F285-L291 HydrophobicContact CE1-CB 4.17Å; F285-L291 HydrophobicContact CZ-CB 4.31Å; F285-V294 HydrophobicContact CE2-CG2 3.76Å; F285-V294 HydrophobicContact CZ-CB 4.43Å; F285-V294 HydrophobicContact CZ-CG2 3.78Å; F285-V310 HydrophobicContact CZ-CG1 4.4Å; F285-T314 HydrophobicContact CD1-CG2 4.43Å; F285-T314 HydrophobicContact CE1-CG2 3.86Å |
| 286 | V | 85.7 | Confident | 86.4 | Confident | 10 Ų | 10 | 41.6 Ų | 41.6 | 6% | 0.061 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -78.5 | -37.9 | 173.7 | 176.7 | 0 | 0 | 0 | 0 | 112.5 | Y282 E284 R323 V324 L327 | Y282-V286 HydrophobicContact CD1-CG2 4.21Å; Y282-V286 HydrophobicContact CE1-CB 4.25Å; Y282-V286 HydrophobicContact CE1-CG2 3.31Å; Y282-V286 HydrophobicContact CE2-CG2 4.14Å; Y282-V286 PolarHBondContact O-N 3.3Å; Y282-V286 WeakPolarHBondContact OH-CG2 3.42Å; E284-V286 PolarHBondContact O-N 3.28Å; V286-R323 HydrophobicContact CG1-CB 3.93Å; V286-V324 HydrophobicContact CG1-CG2 4.27Å; V286-V324 HydrophobicContact CG2-CG2 3.8Å; V286-L327 HydrophobicContact CG1-CD1 4.4Å |
| 287 | E | 85.4 | Confident | 86.4 | Confident | 129 Ų | 129 | 41.8 Ų | 41.8 | 60% | 0.603 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -68.7 | -31.5 | 177.6 | -76.7 | -179.7 | -163 | 0 | 0 | 113.4 | L283 E284 D289 R323 | L283-E287 WeakPolarHBondContact O-CB 3.46Å; L283-E287 WeakPolarHBondContact O-CG 3.26Å; L283-E287 PolarHBondContact O-N 2.81Å; E284-E287 PolarHBondContact O-N 2.89Å; E284-E287 VanDerWaalsContact O-N 3.14Å; E287-D289 VanDerWaalsContact C-N 3.3Å; E287-D289 PolarHBondContact O-N 2.91Å; E287-R323 IonicContact OE1-CZ 3.23Å; E287-R323 IonicContact OE1-NH1 2.72Å; E287-R323 PolarHBondContact OE1-NH1 3.15Å; E287-R323 IonicContact OE1-NH2 2.8Å; E287-R323 PolarHBondContact OE1-NH2 3.48Å |
| 288 | Q | 85.3 | Confident | 86.6 | Confident | 80 Ų | 80 | 42.2 Ų | 42.2 | 37% | 0.374 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89 | 20.7 | 178.9 | -63.3 | -167.4 | 5.6 | 0 | 0 | 114 | Y250 E284 G290 | Y250-Q288 HydrophobicContact CE2-CB 4.35Å; Y250-Q288 VanDerWaalsContact CE2-OE1 3.29Å; E284-Q288 VanDerWaalsContact CD-NE2 3.26Å; E284-Q288 HydrophobicContact CG-CG 3.79Å; E284-Q288 WeakPolarHBondContact O-CB 3.23Å; E284-Q288 WeakPolarHBondContact O-CG 3.48Å; E284-Q288 PolarHBondContact O-N 3.14Å; E284-Q288 PolarHBondContact OE1-NE2 3.37Å; Q288-G290 PolarHBondContact O-N 2.87Å; Q288-G290 VanDerWaalsContact O-N 3.11Å |
| 289 | D | 86.3 | Confident | 86.6 | Confident | 77 Ų | 77 | 45.9 Ų | 45.9 | 41% | 0.412 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.4 | 22 | -177.8 | -89.7 | -38 | 0 | 0 | 0 | 114.3 | E287 L291 Q292 S293 | E287-D289 VanDerWaalsContact C-N 3.3Å; E287-D289 PolarHBondContact O-N 2.91Å; D289-L291 VanDerWaalsContact C-N 3.27Å; D289-L291 PolarHBondContact O-N 2.99Å; D289-Q292 HydrophobicContact CB-CB 4.47Å; D289-Q292 HydrophobicContact CB-CG 4Å; D289-Q292 WeakPolarHBondContact O-CA 3.38Å; D289-Q292 WeakPolarHBondContact O-CB 3.49Å; D289-Q292 PolarHBondContact O-N 2.84Å; D289-Q292 PolarHBondContact OD1-NE2 3.48Å; D289-Q292 PolarHBondContact OD2-NE2 2.84Å; D289-S293 PolarHBondContact O-N 3.43Å |
| 290 | G | 88.2 | Confident | 86.4 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -58.3 | -34.9 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y250 F285 Q288 Q292 S293 V294 | Y250-G290 VanDerWaalsContact CE1-CA 3.46Å; F285-G290 VanDerWaalsContact CZ-C 3.42Å; F285-G290 VanDerWaalsContact O-CA 3.28Å; F285-G290 WeakPolarHBondContact O-CA 3.28Å; F285-G290 PolarHBondContact O-N 3.42Å; Q288-G290 PolarHBondContact O-N 2.87Å; Q288-G290 VanDerWaalsContact O-N 3.11Å; G290-Q292 VanDerWaalsContact C-N 3.26Å; G290-Q292 PolarHBondContact O-N 2.83Å; G290-S293 WeakPolarHBondContact O-CA 3.36Å; G290-S293 WeakPolarHBondContact O-CB 3.48Å; G290-S293 PolarHBondContact O-N 2.94Å; G290-V294 PolarHBondContact O-N 3.23Å |
| 291 | L | 89.5 | Confident | 86.4 | Confident | 3 Ų | 3 | 42.8 Ų | 42.8 | 2% | 0.016 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.6 | -32.7 | 172.6 | -173.9 | 61.2 | 0 | 0 | 0 | 112.5 | F285 D289 S293 L295 L311 V324 L327 L331 L335 | F285-L291 HydrophobicContact CE1-CB 4.17Å; F285-L291 HydrophobicContact CZ-CB 4.31Å; D289-L291 VanDerWaalsContact C-N 3.27Å; D289-L291 PolarHBondContact O-N 2.99Å; L291-S293 VanDerWaalsContact C-N 3.25Å; L291-S293 PolarHBondContact O-N 2.85Å; L291-L295 HydrophobicContact CD1-CD1 4.14Å; L291-L295 HydrophobicContact CD1-CG 4.15Å; L291-L295 HydrophobicContact CG-CD1 3.98Å; L291-L295 HydrophobicContact CG-CG 4.42Å; L291-L295 WeakPolarHBondContact O-CB 3.45Å; L291-L295 VanDerWaalsContact O-CG 3.3Å; L291-L295 WeakPolarHBondContact O-CG 3.38Å; L291-L295 PolarHBondContact O-N 3.24Å; L291-L295 VanDerWaalsContact O-N 3.08Å; L291-L311 HydrophobicContact CD1-CD2 3.98Å; L291-V324 HydrophobicContact CD2-CG1 3.78Å; L291-V324 HydrophobicContact CD2-CG2 4.27Å; L291-L327 HydrophobicContact CD2-CD1 4.11Å; L291-L331 HydrophobicContact CD2-CD2 4.13Å; L291-L331 HydrophobicContact CG-CD2 4.38Å; L291-L335 HydrophobicContact CD1-CD1 4.29Å; L291-L335 HydrophobicContact CD2-CD2 4.49Å |
| 292 | Q | 90.4 | Very high | 86.3 | Confident | 66 Ų | 66 | 42.9 Ų | 42.9 | 31% | 0.308 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -67.8 | -25.6 | 172.1 | -52.3 | -161.9 | 24.8 | 0 | 0 | 112.6 | D289 G290 K296 L331 | D289-Q292 HydrophobicContact CB-CB 4.47Å; D289-Q292 HydrophobicContact CB-CG 4Å; D289-Q292 WeakPolarHBondContact O-CA 3.38Å; D289-Q292 WeakPolarHBondContact O-CB 3.49Å; D289-Q292 PolarHBondContact O-N 2.84Å; D289-Q292 PolarHBondContact OD1-NE2 3.48Å; D289-Q292 PolarHBondContact OD2-NE2 2.84Å; G290-Q292 VanDerWaalsContact C-N 3.26Å; G290-Q292 PolarHBondContact O-N 2.83Å; Q292-K296 WeakPolarHBondContact O-CD 3.35Å; Q292-K296 WeakPolarHBondContact O-CE 3.31Å; Q292-K296 VanDerWaalsContact O-CG 3.23Å; Q292-K296 WeakPolarHBondContact O-CG 3.33Å; Q292-K296 PolarHBondContact O-NZ 2.97Å; Q292-L331 HydrophobicContact CB-CD1 4.32Å; Q292-L331 HydrophobicContact CG-CD1 3.91Å; Q292-L331 HydrophobicContact CG-CD2 4.2Å |
| 293 | S | 89.1 | Confident | 86.6 | Confident | 34 Ų | 34 | 42.9 Ų | 42.9 | 24% | 0.238 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -81.5 | -45.2 | 178.1 | -62.8 | 0 | 0 | 0 | 0 | 110.6 | D289 G290 L291 L295 K296 | D289-S293 PolarHBondContact O-N 3.43Å; G290-S293 WeakPolarHBondContact O-CA 3.36Å; G290-S293 WeakPolarHBondContact O-CB 3.48Å; G290-S293 PolarHBondContact O-N 2.94Å; L291-S293 VanDerWaalsContact C-N 3.25Å; L291-S293 PolarHBondContact O-N 2.85Å; S293-L295 PolarHBondContact O-N 3.45Å; S293-K296 WeakPolarHBondContact O-CB 3.46Å; S293-K296 PolarHBondContact O-N 2.94Å; S293-K296 VanDerWaalsContact O-N 3.14Å |
| 294 | V | 91.6 | Very high | 86.8 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.1 | -42.3 | 177 | 171.6 | 0 | 0 | 0 | 0 | 112.2 | L253 L269 L272 F285 G290 K296 V297 V307 V310 | L253-V294 HydrophobicContact CD1-CG2 4.1Å; L253-V294 HydrophobicContact CD2-CG2 4.49Å; L269-V294 HydrophobicContact CD2-CG1 4.27Å; L269-V294 HydrophobicContact CD2-CG2 4.12Å; L272-V294 HydrophobicContact CD2-CG2 3.97Å; F285-V294 HydrophobicContact CE2-CG2 3.76Å; F285-V294 HydrophobicContact CZ-CB 4.43Å; F285-V294 HydrophobicContact CZ-CG2 3.78Å; G290-V294 PolarHBondContact O-N 3.23Å; V294-K296 PolarHBondContact O-N 3.28Å; V294-K296 VanDerWaalsContact O-N 3.12Å; V294-V297 WeakPolarHBondContact O-CB 3.45Å; V294-V297 WeakPolarHBondContact O-CG2 3.13Å; V294-V297 PolarHBondContact O-N 2.86Å; V294-V307 HydrophobicContact CG1-CB 4.29Å; V294-V307 HydrophobicContact CG1-CG1 3.62Å; V294-V307 HydrophobicContact CG1-CG2 4.03Å; V294-V310 HydrophobicContact CG1-CG1 4.07Å; V294-V310 HydrophobicContact CG2-CG1 4.28Å |
| 295 | L | 91.6 | Very high | 86.9 | Confident | 19 Ų | 19 | 38.7 Ų | 38.7 | 10% | 0.099 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -6.9 | 178.2 | -67.9 | 172.7 | 0 | 0 | 0 | 114.6 | L291 S293 L331 L335 Y338 | L291-L295 HydrophobicContact CD1-CD1 4.14Å; L291-L295 HydrophobicContact CD1-CG 4.15Å; L291-L295 HydrophobicContact CG-CD1 3.98Å; L291-L295 HydrophobicContact CG-CG 4.42Å; L291-L295 WeakPolarHBondContact O-CB 3.45Å; L291-L295 VanDerWaalsContact O-CG 3.3Å; L291-L295 WeakPolarHBondContact O-CG 3.38Å; L291-L295 PolarHBondContact O-N 3.24Å; L291-L295 VanDerWaalsContact O-N 3.08Å; S293-L295 PolarHBondContact O-N 3.45Å; L295-L331 HydrophobicContact CD1-CD1 3.76Å; L295-L331 HydrophobicContact CD1-CG 4.16Å; L295-L335 HydrophobicContact CD1-CB 4.04Å; L295-L335 HydrophobicContact CD1-CD1 4.36Å; L295-L335 HydrophobicContact CD2-CD1 4.17Å; L295-Y338 HydrophobicContact CB-CD2 4.47Å; L295-Y338 HydrophobicContact CD2-CD2 3.7Å; L295-Y338 HydrophobicContact CD2-CG 3.8Å |
| 296 | K | 89.5 | Confident | 87 | Confident | 116 Ų | 116 | 38.6 Ų | 38.6 | 50% | 0.504 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | -4.6 | 174.7 | -68.4 | 166.9 | -169.9 | 129.4 | 0 | 113.6 | Q292 S293 V294 | Q292-K296 WeakPolarHBondContact O-CD 3.35Å; Q292-K296 WeakPolarHBondContact O-CE 3.31Å; Q292-K296 VanDerWaalsContact O-CG 3.23Å; Q292-K296 WeakPolarHBondContact O-CG 3.33Å; Q292-K296 PolarHBondContact O-NZ 2.97Å; S293-K296 WeakPolarHBondContact O-CB 3.46Å; S293-K296 PolarHBondContact O-N 2.94Å; S293-K296 VanDerWaalsContact O-N 3.14Å; V294-K296 PolarHBondContact O-N 3.28Å; V294-K296 VanDerWaalsContact O-N 3.12Å |
| 297 | V | 88.1 | Confident | 87.4 | Confident | 4 Ų | 4 | 38.1 Ų | 38.1 | 2% | 0.024 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -57.9 | 130.6 | 178.6 | 171.6 | 0 | 0 | 0 | 0 | 110.4 | L253 T265 L269 V294 A303 V307 Y338 | L253-V297 HydrophobicContact CD2-CG2 3.72Å; T265-V297 HydrophobicContact CG2-CG2 4.33Å; L269-V297 HydrophobicContact CD1-CG1 4.33Å; L269-V297 HydrophobicContact CD1-CG2 4.08Å; V294-V297 WeakPolarHBondContact O-CB 3.45Å; V294-V297 WeakPolarHBondContact O-CG2 3.13Å; V294-V297 PolarHBondContact O-N 2.86Å; V297-A303 HydrophobicContact CG1-CB 3.79Å; V297-V307 HydrophobicContact CB-CG2 3.92Å; V297-V307 HydrophobicContact CG1-CG2 4.01Å; V297-V307 HydrophobicContact CG2-CG2 3.99Å; V297-Y338 PolarHBondContact O-OH 2.87Å |
| 298 | P | 82.5 | Confident | 87.7 | Confident | 51 Ų | 51 | 32 Ų | 32 | 33% | 0.331 | 17% | 0.165 | S | C | . | . | trans | -55.9 | 148.3 | -177 | -27.7 | 35.6 | 0 | 0 | 0 | 114.4 | A258 I262 S301 | A258-P298 HydrophobicContact CB-CG 4.26Å; I262-P298 HydrophobicContact CD1-CG 4.38Å; P298-S301 WeakPolarHBondContact O-CB 3.46Å; P298-S301 PolarHBondContact O-OG 3.2Å | ||
| 299 | R | 82.4 | Confident | 87.9 | Confident | 105 Ų | 105 | 28.6 Ų | 28.6 | 40% | 0.396 | 15% | 0.15 | S | C | . | . | S | Bend | trans | -138.3 | 136.4 | -179.3 | -72.7 | -177.7 | -80.1 | 166.6 | -6.9 | 111.3 | A304 Y338 W341 | R299-A304 HydrophobicContact CG-CB 3.95Å; R299-Y338 VanDerWaalsContact CD-CZ 3.44Å; R299-Y338 HydrophobicContact CG-CE1 4.4Å; R299-Y338 HydrophobicContact CG-CE2 4.22Å; R299-Y338 WeakPolarHBondContact CG-OH 3.21Å; R299-Y338 VanDerWaalsContact CZ-CD2 3.45Å; R299-Y338 VanDerWaalsContact NE-CE2 3.28Å; R299-W341 HydrophobicContact CB-CH2 3.84Å; R299-W341 HydrophobicContact CB-CZ2 3.79Å; R299-W341 HydrophobicContact CB-CZ3 4.24Å; R299-W341 VanDerWaalsContact CD-CZ3 3.42Å; R299-W341 HydrophobicContact CG-CD2 4.37Å; R299-W341 HydrophobicContact CG-CE3 3.96Å; R299-W341 HydrophobicContact CG-CH2 3.65Å; R299-W341 HydrophobicContact CG-CZ2 4.07Å; R299-W341 HydrophobicContact CG-CZ3 3.58Å |
| 300 | P | 78.8 | Confident | 88.1 | Confident | 97 Ų | 97 | 24.9 Ų | 24.9 | 63% | 0.63 | 13% | 0.13 | S | C | * | . | S | Bend | cis | -64.7 | 152 | -12.6 | 30.5 | -35.7 | 0 | 0 | 0 | 111.5 | W341 | P300-W341 HydrophobicContact CB-CH2 4.5Å; P300-W341 HydrophobicContact CB-CZ2 4.15Å |
| 301 | S | 82.9 | Confident | 88.3 | Confident | 13 Ų | 13 | 24.9 Ų | 24.9 | 9% | 0.091 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -167.3 | 157.5 | 168.3 | 69 | 0 | 0 | 0 | 0 | 111 | P298 A303 A304 | P298-S301 WeakPolarHBondContact O-CB 3.46Å; P298-S301 PolarHBondContact O-OG 3.2Å; S301-A303 PolarHBondContact O-N 2.78Å; S301-A303 PolarHBondContact OG-N 2.85Å; S301-A304 WeakPolarHBondContact O-CB 3.33Å; S301-A304 PolarHBondContact O-N 2.91Å; S301-A304 PolarHBondContact OG-N 2.94Å; S301-A304 VanDerWaalsContact OG-N 3.11Å |
| 302 | V | 85.1 | Confident | 88.3 | Confident | 3 Ų | 3 | 25.1 Ų | 25.1 | 2% | 0.018 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -54.5 | -41.6 | 170.7 | -174.5 | 0 | 0 | 0 | 0 | 110.7 | P54 L206 F266 A304 T305 | P54-V302 HydrophobicContact CB-CG1 3.79Å; P54-V302 HydrophobicContact CG-CG1 3.93Å; L206-V302 HydrophobicContact CD2-CG2 4.24Å; F266-V302 HydrophobicContact CD2-CG1 3.95Å; F266-V302 WeakPolarHBondContact CD2-O 3.39Å; F266-V302 HydrophobicContact CE2-CG1 4.39Å; F266-V302 HydrophobicContact CG-CG1 4.2Å; V302-A304 VanDerWaalsContact C-N 3.26Å; V302-A304 PolarHBondContact O-N 2.7Å; V302-T305 WeakPolarHBondContact O-CB 3.24Å; V302-T305 PolarHBondContact O-N 2.86Å; V302-T305 VanDerWaalsContact O-N 3.12Å; V302-T305 PolarHBondContact O-OG1 2.74Å |
| 303 | A | 88.1 | Confident | 88.1 | Confident | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -61.4 | -30.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | I262 T265 F266 L269 V297 S301 T305 A306 V307 | I262-A303 HydrophobicContact CD1-CB 3.68Å; I262-A303 HydrophobicContact CG1-CB 3.98Å; T265-A303 HydrophobicContact CG2-CB 4.1Å; F266-A303 HydrophobicContact CB-CB 4.25Å; L269-A303 HydrophobicContact CD1-CB 4.13Å; L269-A303 WeakPolarHBondContact CD1-O 3.38Å; V297-A303 HydrophobicContact CG1-CB 3.79Å; S301-A303 PolarHBondContact O-N 2.78Å; S301-A303 PolarHBondContact OG-N 2.85Å; A303-T305 PolarHBondContact O-N 3.24Å; A303-A306 PolarHBondContact O-N 3.43Å; A303-V307 PolarHBondContact O-N 3.38Å |
| 304 | A | 88.4 | Confident | 87.9 | Confident | 1 Ų | 1 | 23.2 Ų | 23.2 | 1% | 0.008 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -64.9 | -25.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | R299 S301 V302 V307 W341 L342 | R299-A304 HydrophobicContact CG-CB 3.95Å; S301-A304 WeakPolarHBondContact O-CB 3.33Å; S301-A304 PolarHBondContact O-N 2.91Å; S301-A304 PolarHBondContact OG-N 2.94Å; S301-A304 VanDerWaalsContact OG-N 3.11Å; V302-A304 VanDerWaalsContact C-N 3.26Å; V302-A304 PolarHBondContact O-N 2.7Å; A304-V307 WeakPolarHBondContact O-CB 3.21Å; A304-V307 PolarHBondContact O-N 2.93Å; A304-W341 HydrophobicContact CB-CH2 3.95Å; A304-W341 HydrophobicContact CB-CZ3 3.79Å; A304-L342 VanDerWaalsContact O-CD2 3.29Å; A304-L342 WeakPolarHBondContact O-CD2 3.46Å |
| 305 | T | 88.1 | Confident | 87.7 | Confident | 3 Ų | 3 | 23.6 Ų | 23.6 | 2% | 0.018 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -63.1 | -46.4 | 173.2 | 67 | 0 | 0 | 0 | 0 | 111.3 | P54 V302 A303 V307 S308 H347 A350 | P54-T305 HydrophobicContact CG-CG2 3.86Å; P54-T305 WeakPolarHBondContact CG-OG1 3.25Å; V302-T305 WeakPolarHBondContact O-CB 3.24Å; V302-T305 PolarHBondContact O-N 2.86Å; V302-T305 VanDerWaalsContact O-N 3.12Å; V302-T305 PolarHBondContact O-OG1 2.74Å; A303-T305 PolarHBondContact O-N 3.24Å; T305-V307 PolarHBondContact O-N 3.17Å; T305-S308 VanDerWaalsContact O-CB 3.26Å; T305-S308 WeakPolarHBondContact O-CB 3.39Å; T305-S308 PolarHBondContact O-N 3.48Å; T305-S308 PolarHBondContact O-OG 2.85Å; T305-H347 HydrophobicContact CG2-CB 4.37Å; T305-H347 WeakPolarHBondContact CG2-CD2 3.28Å; T305-A350 HydrophobicContact CG2-CB 4.13Å |
| 306 | A | 90.6 | Very high | 87.3 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -66.7 | -22.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | F55 F266 L269 A303 S308 V309 V310 | F55-A306 HydrophobicContact CE2-CB 4.21Å; F55-A306 HydrophobicContact CZ-CB 3.83Å; F266-A306 HydrophobicContact CD2-CB 3.73Å; F266-A306 HydrophobicContact CE2-CB 3.88Å; L269-A306 HydrophobicContact CB-CB 3.49Å; L269-A306 VanDerWaalsContact CB-CB 3.49Å; L269-A306 HydrophobicContact CD1-CB 4.16Å; L269-A306 HydrophobicContact CG-CB 4.44Å; A303-A306 PolarHBondContact O-N 3.43Å; A306-S308 PolarHBondContact O-N 3.27Å; A306-V309 PolarHBondContact O-N 2.98Å; A306-V310 WeakPolarHBondContact O-CG2 3.39Å; A306-V310 PolarHBondContact O-N 3.26Å |
| 307 | V | 93.1 | Very high | 87 | Confident | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -60.2 | -33.5 | 168.1 | 177.8 | 0 | 0 | 0 | 0 | 111.4 | L269 V294 V297 A303 A304 T305 V309 L311 Y338 | L269-V307 HydrophobicContact CD1-CG2 3.82Å; L269-V307 HydrophobicContact CD2-CG2 4.19Å; V294-V307 HydrophobicContact CG1-CB 4.29Å; V294-V307 HydrophobicContact CG1-CG1 3.62Å; V294-V307 HydrophobicContact CG1-CG2 4.03Å; V297-V307 HydrophobicContact CB-CG2 3.92Å; V297-V307 HydrophobicContact CG1-CG2 4.01Å; V297-V307 HydrophobicContact CG2-CG2 3.99Å; A303-V307 PolarHBondContact O-N 3.38Å; A304-V307 WeakPolarHBondContact O-CB 3.21Å; A304-V307 PolarHBondContact O-N 2.93Å; T305-V307 PolarHBondContact O-N 3.17Å; V307-V309 PolarHBondContact O-N 2.91Å; V307-L311 HydrophobicContact CG1-CD1 4.11Å; V307-L311 HydrophobicContact CG1-CG 4.13Å; V307-L311 WeakPolarHBondContact O-CB 3.49Å; V307-L311 VanDerWaalsContact O-CG 3.24Å; V307-L311 WeakPolarHBondContact O-CG 3.48Å; V307-L311 PolarHBondContact O-N 3.31Å; V307-Y338 HydrophobicContact CB-CE1 3.92Å; V307-Y338 HydrophobicContact CG1-CD1 4Å; V307-Y338 HydrophobicContact CG1-CE1 3.55Å; V307-Y338 HydrophobicContact CG2-CE1 4.4Å |
| 308 | S | 91 | Very high | 86.8 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63.9 | -40 | 176.4 | 74.2 | 0 | 0 | 0 | 0 | 112.7 | T305 A306 L311 Y312 A350 Y353 | T305-S308 VanDerWaalsContact O-CB 3.26Å; T305-S308 WeakPolarHBondContact O-CB 3.39Å; T305-S308 PolarHBondContact O-N 3.48Å; T305-S308 PolarHBondContact O-OG 2.85Å; A306-S308 PolarHBondContact O-N 3.27Å; S308-L311 PolarHBondContact O-N 2.91Å; S308-Y312 PolarHBondContact O-N 2.98Å; S308-A350 WeakPolarHBondContact CB-O 3.01Å; S308-A350 WeakPolarHBondContact OG-CA 3.34Å; S308-Y353 WeakPolarHBondContact OG-CB 3.41Å |
| 309 | V | 90.1 | Very high | 86.7 | Confident | 8 Ų | 8 | 29.8 Ų | 29.8 | 5% | 0.048 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -70.2 | -44.3 | 179.2 | -165.1 | 0 | 0 | 0 | 0 | 110.5 | F55 A273 A306 V307 L311 Y312 Y313 Y353 | F55-V309 HydrophobicContact CD2-CG2 4.43Å; F55-V309 HydrophobicContact CE1-CG2 3.97Å; F55-V309 HydrophobicContact CE2-CG2 3.8Å; F55-V309 HydrophobicContact CZ-CG2 3.54Å; A273-V309 HydrophobicContact CB-CB 4.24Å; A273-V309 HydrophobicContact CB-CG1 3.89Å; A306-V309 PolarHBondContact O-N 2.98Å; V307-V309 PolarHBondContact O-N 2.91Å; V309-L311 VanDerWaalsContact C-N 3.31Å; V309-L311 PolarHBondContact O-N 3.23Å; V309-Y312 PolarHBondContact O-N 2.84Å; V309-Y313 HydrophobicContact CG1-CD2 3.95Å; V309-Y313 HydrophobicContact CG1-CE2 3.75Å; V309-Y313 WeakPolarHBondContact O-CD2 3.4Å; V309-Y313 PolarHBondContact O-N 3.41Å; V309-Y353 HydrophobicContact CG1-CE1 4.33Å; V309-Y353 HydrophobicContact CG2-CD2 3.69Å; V309-Y353 HydrophobicContact CG2-CE2 3.82Å; V309-Y353 HydrophobicContact CG2-CG 4.12Å |
| 310 | V | 91.5 | Very high | 86.6 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -57.2 | -45.5 | 171.1 | 169.2 | 0 | 0 | 0 | 0 | 110.4 | L269 L272 A273 L276 F285 V294 A306 T314 | L269-V310 HydrophobicContact CB-CG2 4.5Å; L269-V310 HydrophobicContact CD2-CG2 3.98Å; L269-V310 WeakPolarHBondContact O-CG2 3.21Å; L272-V310 HydrophobicContact CB-CG2 4.38Å; L272-V310 HydrophobicContact CD2-CG1 4.21Å; L272-V310 HydrophobicContact CD2-CG2 4.21Å; L272-V310 HydrophobicContact CG-CG2 4.27Å; A273-V310 HydrophobicContact CB-CG2 3.97Å; L276-V310 HydrophobicContact CD1-CG1 3.83Å; F285-V310 HydrophobicContact CZ-CG1 4.4Å; V294-V310 HydrophobicContact CG1-CG1 4.07Å; V294-V310 HydrophobicContact CG2-CG1 4.28Å; A306-V310 WeakPolarHBondContact O-CG2 3.39Å; A306-V310 PolarHBondContact O-N 3.26Å; V310-T314 HydrophobicContact CG1-CG2 4.23Å; V310-T314 WeakPolarHBondContact O-CB 3.3Å; V310-T314 WeakPolarHBondContact O-CG2 3.48Å; V310-T314 PolarHBondContact O-N 3.03Å |
| 311 | L | 91.4 | Very high | 87 | Confident | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -62.8 | -44.6 | 176.8 | -74.3 | -178.5 | 0 | 0 | 0 | 112.1 | L291 V307 S308 V309 T314 A315 L335 L342 F357 | L291-L311 HydrophobicContact CD1-CD2 3.98Å; V307-L311 HydrophobicContact CG1-CD1 4.11Å; V307-L311 HydrophobicContact CG1-CG 4.13Å; V307-L311 WeakPolarHBondContact O-CB 3.49Å; V307-L311 VanDerWaalsContact O-CG 3.24Å; V307-L311 WeakPolarHBondContact O-CG 3.48Å; V307-L311 PolarHBondContact O-N 3.31Å; S308-L311 PolarHBondContact O-N 2.91Å; V309-L311 VanDerWaalsContact C-N 3.31Å; V309-L311 PolarHBondContact O-N 3.23Å; L311-T314 WeakPolarHBondContact CA-OG1 3.47Å; L311-T314 WeakPolarHBondContact O-CA 3.48Å; L311-T314 PolarHBondContact O-N 3.16Å; L311-T314 VanDerWaalsContact O-N 3.08Å; L311-T314 PolarHBondContact O-OG1 3.43Å; L311-A315 PolarHBondContact O-N 3.03Å; L311-L335 HydrophobicContact CD1-CD1 4.32Å; L311-L335 HydrophobicContact CD2-CD1 3.48Å; L311-L335 VanDerWaalsContact CD2-CD1 3.48Å; L311-L342 HydrophobicContact CD1-CD1 4.1Å; L311-F357 HydrophobicContact CB-CD1 4.5Å; L311-F357 HydrophobicContact CB-CD2 3.89Å; L311-F357 HydrophobicContact CB-CE2 4.19Å; L311-F357 HydrophobicContact CB-CG 4.04Å; L311-F357 HydrophobicContact CD2-CE2 4.34Å; L311-F357 HydrophobicContact CD2-CZ 4.41Å; L311-F357 WeakPolarHBondContact O-CD2 3.36Å |
| 312 | Y | 89.9 | Confident | 87.2 | Confident | 8 Ų | 8 | 22.4 Ų | 22.4 | 3% | 0.031 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -55.5 | -55.4 | 176 | 169.5 | -110.3 | 0 | 0 | 0 | 112 | S308 V309 T314 A315 Y353 F356 L360 | S308-Y312 PolarHBondContact O-N 2.98Å; V309-Y312 PolarHBondContact O-N 2.84Å; Y312-T314 PolarHBondContact O-N 3.1Å; Y312-A315 PolarHBondContact O-N 3.27Å; Y312-Y353 AromaticContact CD1-CD1 3.84Å; Y312-Y353 HydrophobicContact CD1-CD1 3.84Å; Y312-Y353 HydrophobicContact CD1-CE1 4.14Å; Y312-Y353 AromaticContact CG-CD1 3.93Å; Y312-Y353 HydrophobicContact CG-CD1 3.93Å; Y312-F356 HydrophobicContact CD2-CB 3.67Å; Y312-F356 HydrophobicContact CE2-CB 3.8Å; Y312-F356 HydrophobicContact CE2-CG 4.49Å; Y312-L360 HydrophobicContact CD2-CD1 4.23Å; Y312-L360 HydrophobicContact CE2-CD1 4.05Å |
| 313 | Y | 86.7 | Confident | 87.2 | Confident | 55 Ų | 55 | 26.4 Ų | 26.4 | 22% | 0.216 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -61.9 | -28.9 | 175.7 | -73.4 | -60 | 0 | 0 | 0 | 112.4 | A273 V309 A315 Y316 | A273-Y313 HydrophobicContact CB-CD2 4.03Å; A273-Y313 HydrophobicContact CB-CE2 4.33Å; V309-Y313 HydrophobicContact CG1-CD2 3.95Å; V309-Y313 HydrophobicContact CG1-CE2 3.75Å; V309-Y313 WeakPolarHBondContact O-CD2 3.4Å; V309-Y313 PolarHBondContact O-N 3.41Å; Y313-A315 PolarHBondContact O-N 3.15Å; Y313-Y316 PolarHBondContact O-N 3.45Å |
| 314 | T | 84.8 | Confident | 87.2 | Confident | 4 Ų | 4 | 26.5 Ų | 26.5 | 3% | 0.025 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -66.8 | -18.2 | 174.9 | 67.8 | 0 | 0 | 0 | 0 | 115.1 | L276 Y282 F285 V310 L311 Y312 M321 | L276-T314 HydrophobicContact CD1-CG2 4.22Å; Y282-T314 HydrophobicContact CD2-CG2 4.4Å; Y282-T314 VanDerWaalsContact CE2-CA 3.45Å; Y282-T314 HydrophobicContact CE2-CG2 3.77Å; Y282-T314 WeakPolarHBondContact CE2-O 3.38Å; Y282-T314 PolarHBondContact OH-O 2.94Å; F285-T314 HydrophobicContact CD1-CG2 4.43Å; F285-T314 HydrophobicContact CE1-CG2 3.86Å; V310-T314 HydrophobicContact CG1-CG2 4.23Å; V310-T314 WeakPolarHBondContact O-CB 3.3Å; V310-T314 WeakPolarHBondContact O-CG2 3.48Å; V310-T314 PolarHBondContact O-N 3.03Å; L311-T314 WeakPolarHBondContact CA-OG1 3.47Å; L311-T314 WeakPolarHBondContact O-CA 3.48Å; L311-T314 PolarHBondContact O-N 3.16Å; L311-T314 VanDerWaalsContact O-N 3.08Å; L311-T314 PolarHBondContact O-OG1 3.43Å; Y312-T314 PolarHBondContact O-N 3.1Å; T314-M321 WeakPolarHBondContact O-CG 3.49Å |
| 315 | A | 87.6 | Confident | 87.2 | Confident | 9 Ų | 9 | 26.6 Ų | 26.6 | 7% | 0.074 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -99 | -6.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | L311 Y312 Y313 F317 M321 F357 L360 V361 | L311-A315 PolarHBondContact O-N 3.03Å; Y312-A315 PolarHBondContact O-N 3.27Å; Y313-A315 PolarHBondContact O-N 3.15Å; A315-F317 PolarHBondContact O-N 2.94Å; A315-M321 HydrophobicContact CB-CG 4.35Å; A315-M321 HydrophobicContact CB-SD 4.32Å; A315-F357 HydrophobicContact CB-CD2 3.73Å; A315-F357 HydrophobicContact CB-CE2 4.14Å; A315-L360 HydrophobicContact CB-CB 3.82Å; A315-L360 HydrophobicContact CB-CD1 3.91Å; A315-V361 HydrophobicContact CB-CG1 3.58Å |
| 316 | Y | 83.2 | Confident | 87.2 | Confident | 120 Ų | 120 | 32.7 Ų | 32.7 | 47% | 0.471 | 15% | 0.148 | S | C | . | . | S | Bend | trans | -70.3 | -28.5 | -176.6 | -171.6 | -97.1 | 0 | 0 | 0 | 113.5 | Y313 I1613 | Y313-Y316 PolarHBondContact O-N 3.45Å; Y316-I1613 HydrophobicContact CE2-CG2 4.42Å |
| 317 | F | 82.9 | Confident | 87 | Confident | 39 Ų | 39 | 34.8 Ų | 34.8 | 17% | 0.171 | 16% | 0.158 | C | C | . | . | trans | -106 | 135 | -178.5 | -64.6 | -66.9 | 0 | 0 | 0 | 112 | C277 R279 A315 A320 M321 | C277-F317 VanDerWaalsContact O-CZ 3.31Å; C277-F317 WeakPolarHBondContact O-CZ 3.49Å; R279-F317 HydrophobicContact CB-CD1 4.49Å; R279-F317 HydrophobicContact CB-CE1 4.27Å; R279-F317 HydrophobicContact CB-CE2 4.46Å; R279-F317 HydrophobicContact CB-CZ 4.26Å; A315-F317 PolarHBondContact O-N 2.94Å; F317-A320 HydrophobicContact CB-CB 3.46Å; F317-A320 VanDerWaalsContact CB-CB 3.46Å; F317-A320 VanDerWaalsContact O-CB 3.22Å; F317-A320 WeakPolarHBondContact O-CB 3.27Å; F317-M321 PolarHBondContact O-N 3.4Å; F317-M321 VanDerWaalsContact O-N 3.17Å | ||
| 318 | E | 84.2 | Confident | 86.8 | Confident | 79 Ų | 79 | 37.7 Ų | 37.7 | 37% | 0.369 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -74.6 | -57.8 | -175 | -65.4 | -162.7 | 140.2 | 0 | 0 | 114.5 | A320 M321 E322 Y364 | E318-A320 PolarHBondContact O-N 3.35Å; E318-M321 CarbonylContact O-C 3.55Å; E318-M321 PolarHBondContact O-N 3.21Å; E318-E322 WeakPolarHBondContact O-CG 3.19Å; E318-E322 PolarHBondContact O-N 2.98Å; E318-Y364 WeakPolarHBondContact CA-OH 3.26Å; E318-Y364 PolarHBondContact O-OH 3.44Å |
| 319 | D | 80.8 | Confident | 86.5 | Confident | 82 Ų | 82 | 41.4 Ų | 41.4 | 44% | 0.439 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -52.4 | -30.2 | 177.9 | -52.6 | -116 | 0 | 0 | 0 | 113 | R279 R323 | R279-D319 IonicContact CZ-OD2 3.1Å; R279-D319 IonicContact NH1-OD2 3.65Å; R279-D319 PolarHBondContact NH1-OD2 3.47Å; R279-D319 IonicContact NH2-OD1 3.2Å; R279-D319 PolarHBondContact NH2-OD1 2.79Å; R279-D319 IonicContact NH2-OD2 2.67Å; R279-D319 PolarHBondContact NH2-OD2 2.99Å; D319-R323 WeakPolarHBondContact O-CG 3.42Å; D319-R323 PolarHBondContact O-N 3.42Å |
| 320 | A | 78.7 | Confident | 86.6 | Confident | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.008 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65.6 | -56.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y282 F317 E318 E322 R323 V324 | Y282-A320 HydrophobicContact CD1-CB 3.27Å; Y282-A320 HydrophobicContact CE1-CB 2.95Å; Y282-A320 HydrophobicContact CE2-CB 4.3Å; Y282-A320 HydrophobicContact CG-CB 4.12Å; Y282-A320 VanDerWaalsContact CZ-CB 3.47Å; Y282-A320 PolarHBondContact OH-O 3.24Å; F317-A320 HydrophobicContact CB-CB 3.46Å; F317-A320 VanDerWaalsContact CB-CB 3.46Å; F317-A320 VanDerWaalsContact O-CB 3.22Å; F317-A320 WeakPolarHBondContact O-CB 3.27Å; E318-A320 PolarHBondContact O-N 3.35Å; A320-E322 VanDerWaalsContact C-N 3.29Å; A320-E322 PolarHBondContact O-N 3.19Å; A320-R323 WeakPolarHBondContact O-CB 3.04Å; A320-R323 PolarHBondContact O-N 3.48Å; A320-R323 VanDerWaalsContact O-N 3.16Å; A320-V324 PolarHBondContact O-N 2.91Å; A320-V324 VanDerWaalsContact O-N 3.13Å |
| 321 | M | 87.9 | Confident | 86.5 | Confident | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.9 | -28.9 | 172.5 | -82.2 | -59.6 | -51.6 | 0 | 0 | 113.5 | T314 A315 F317 E318 R323 V324 C325 V361 Y364 | T314-M321 WeakPolarHBondContact O-CG 3.49Å; A315-M321 HydrophobicContact CB-CG 4.35Å; A315-M321 HydrophobicContact CB-SD 4.32Å; F317-M321 PolarHBondContact O-N 3.4Å; F317-M321 VanDerWaalsContact O-N 3.17Å; E318-M321 CarbonylContact O-C 3.55Å; E318-M321 PolarHBondContact O-N 3.21Å; M321-R323 VanDerWaalsContact C-N 3.26Å; M321-R323 PolarHBondContact O-N 3.49Å; M321-V324 HydrophobicContact CE-CB 4.29Å; M321-V324 HydrophobicContact CE-CG1 4.16Å; M321-V324 PolarHBondContact O-N 2.87Å; M321-V324 HydrophobicContact SD-CB 4.16Å; M321-V324 HydrophobicContact SD-CG1 4.31Å; M321-V324 HydrophobicContact SD-CG2 4.38Å; M321-C325 WeakPolarHBondContact O-CB 3.16Å; M321-C325 PolarHBondContact O-N 2.82Å; M321-C325 PolarHBondContact O-SG 3.14Å; M321-V361 HydrophobicContact CE-CB 4.08Å; M321-V361 HydrophobicContact CE-CG1 3.51Å; M321-V361 HydrophobicContact SD-CG1 3.96Å; M321-Y364 HydrophobicContact CB-CE1 3.95Å; M321-Y364 HydrophobicContact CB-CE2 3.9Å; M321-Y364 VanDerWaalsContact CB-CZ 3.5Å; M321-Y364 WeakPolarHBondContact CB-OH 3.17Å; M321-Y364 HydrophobicContact CG-CE2 4.43Å |
| 322 | E | 86.9 | Confident | 86.5 | Confident | 57 Ų | 57 | 45 Ų | 45 | 27% | 0.266 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -59.6 | -39.5 | 172 | -62.9 | -144.5 | 159 | 0 | 0 | 111.8 | E318 A320 Q326 Y364 C450 R451 | E318-E322 WeakPolarHBondContact O-CG 3.19Å; E318-E322 PolarHBondContact O-N 2.98Å; A320-E322 VanDerWaalsContact C-N 3.29Å; A320-E322 PolarHBondContact O-N 3.19Å; E322-Q326 WeakPolarHBondContact O-CG 3.3Å; E322-Q326 PolarHBondContact O-N 3.13Å; E322-Q326 PolarHBondContact O-NE2 2.94Å; E322-Y364 HydrophobicContact CG-CE1 4.45Å; E322-C450 VanDerWaalsContact CA-O 3.31Å; E322-C450 WeakPolarHBondContact CA-O 3.24Å; E322-C450 WeakPolarHBondContact CG-O 3.5Å; E322-R451 WeakPolarHBondContact OE1-CG 3.2Å |
| 323 | R | 85.4 | Confident | 86.6 | Confident | 87 Ų | 87 | 46.7 Ų | 46.7 | 33% | 0.328 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -70.8 | -42 | 175.6 | -71.2 | 166.6 | 161.2 | -143.3 | -8.2 | 111.7 | V286 E287 D319 A320 M321 C325 Q326 L327 | V286-R323 HydrophobicContact CG1-CB 3.93Å; E287-R323 IonicContact OE1-CZ 3.23Å; E287-R323 IonicContact OE1-NH1 2.72Å; E287-R323 PolarHBondContact OE1-NH1 3.15Å; E287-R323 IonicContact OE1-NH2 2.8Å; E287-R323 PolarHBondContact OE1-NH2 3.48Å; D319-R323 WeakPolarHBondContact O-CG 3.42Å; D319-R323 PolarHBondContact O-N 3.42Å; A320-R323 WeakPolarHBondContact O-CB 3.04Å; A320-R323 PolarHBondContact O-N 3.48Å; A320-R323 VanDerWaalsContact O-N 3.16Å; M321-R323 VanDerWaalsContact C-N 3.26Å; M321-R323 PolarHBondContact O-N 3.49Å; R323-C325 VanDerWaalsContact C-N 3.27Å; R323-C325 PolarHBondContact O-N 2.88Å; R323-Q326 WeakPolarHBondContact O-CB 3.27Å; R323-Q326 PolarHBondContact O-N 3.4Å; R323-L327 PolarHBondContact O-N 3.1Å |
| 324 | V | 87.4 | Confident | 86.9 | Confident | 3 Ų | 3 | 47.8 Ų | 47.8 | 2% | 0.018 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -57.3 | -42.6 | 173.5 | 171.9 | 0 | 0 | 0 | 0 | 111 | Y282 V286 L291 A320 M321 Q326 L327 L332 L335 | Y282-V324 WeakPolarHBondContact OH-CG2 3.34Å; V286-V324 HydrophobicContact CG1-CG2 4.27Å; V286-V324 HydrophobicContact CG2-CG2 3.8Å; L291-V324 HydrophobicContact CD2-CG1 3.78Å; L291-V324 HydrophobicContact CD2-CG2 4.27Å; A320-V324 PolarHBondContact O-N 2.91Å; A320-V324 VanDerWaalsContact O-N 3.13Å; M321-V324 HydrophobicContact CE-CB 4.29Å; M321-V324 HydrophobicContact CE-CG1 4.16Å; M321-V324 PolarHBondContact O-N 2.87Å; M321-V324 HydrophobicContact SD-CB 4.16Å; M321-V324 HydrophobicContact SD-CG1 4.31Å; M321-V324 HydrophobicContact SD-CG2 4.38Å; V324-Q326 PolarHBondContact O-N 3.4Å; V324-L327 HydrophobicContact CG1-CD1 4.49Å; V324-L327 VanDerWaalsContact O-CB 3.29Å; V324-L327 WeakPolarHBondContact O-CB 3.32Å; V324-L327 WeakPolarHBondContact O-CG 3.48Å; V324-L327 PolarHBondContact O-N 3.39Å; V324-L327 VanDerWaalsContact O-N 3.08Å; V324-L332 HydrophobicContact CG1-CD2 4.1Å; V324-L335 HydrophobicContact CG1-CD2 4.07Å |
| 325 | C | 88.5 | Confident | 87.4 | Confident | 3 Ų | 3 | 47.6 Ų | 47.6 | 2% | 0.02 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -17.2 | 177.1 | -67.5 | 0 | 0 | 0 | 0 | 114.4 | M321 R323 I366 C450 | M321-C325 WeakPolarHBondContact O-CB 3.16Å; M321-C325 PolarHBondContact O-N 2.82Å; M321-C325 PolarHBondContact O-SG 3.14Å; R323-C325 VanDerWaalsContact C-N 3.27Å; R323-C325 PolarHBondContact O-N 2.88Å; C325-I366 HydrophobicContact CB-CD1 4.43Å; C325-I366 WeakPolarHBondContact O-CD1 3.24Å; C325-C450 HydrophobicContact CB-CB 3.81Å |
| 326 | Q | 88.4 | Confident | 87.7 | Confident | 130 Ų | 130 | 47.3 Ų | 47.3 | 61% | 0.607 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | -8.8 | 173.9 | -68.9 | 166 | 63 | 0 | 0 | 113.4 | E322 R323 V324 C450 | E322-Q326 WeakPolarHBondContact O-CG 3.3Å; E322-Q326 PolarHBondContact O-N 3.13Å; E322-Q326 PolarHBondContact O-NE2 2.94Å; R323-Q326 WeakPolarHBondContact O-CB 3.27Å; R323-Q326 PolarHBondContact O-N 3.4Å; V324-Q326 PolarHBondContact O-N 3.4Å; Q326-C450 HydrophobicContact CG-CB 4.24Å |
| 327 | L | 87.5 | Confident | 88.2 | Confident | 44 Ų | 44 | 45.4 Ų | 45.4 | 23% | 0.23 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -70 | 170.4 | 179.2 | -59.9 | 175.7 | 0 | 0 | 0 | 112.5 | V286 L291 R323 V324 L331 | V286-L327 HydrophobicContact CG1-CD1 4.4Å; L291-L327 HydrophobicContact CD2-CD1 4.11Å; R323-L327 PolarHBondContact O-N 3.1Å; V324-L327 HydrophobicContact CG1-CD1 4.49Å; V324-L327 VanDerWaalsContact O-CB 3.29Å; V324-L327 WeakPolarHBondContact O-CB 3.32Å; V324-L327 WeakPolarHBondContact O-CG 3.48Å; V324-L327 PolarHBondContact O-N 3.39Å; V324-L327 VanDerWaalsContact O-N 3.08Å; L327-L331 HydrophobicContact CB-CD2 3.88Å; L327-L331 HydrophobicContact CD1-CD2 3.53Å; L327-L331 HydrophobicContact CG-CD2 4.29Å |
| 328 | S | 87.5 | Confident | 88.7 | Confident | 61 Ų | 61 | 43.6 Ų | 43.6 | 43% | 0.427 | 23% | 0.23 | S | C | . | . | trans | -54.9 | 144.1 | -173.6 | 76.5 | 0 | 0 | 0 | 0 | 113.1 | S330 L331 L332 | S328-S330 PolarHBondContact O-N 3.38Å; S328-S330 VanDerWaalsContact O-N 3.17Å; S328-S330 PolarHBondContact OG-OG 3.39Å; S328-L331 WeakPolarHBondContact O-CB 3.21Å; S328-L331 PolarHBondContact O-N 3.48Å; S328-L331 WeakPolarHBondContact OG-CB 3.34Å; S328-L331 PolarHBondContact OG-N 2.73Å; S328-L332 PolarHBondContact O-N 2.99Å | ||
| 329 | S | 86.2 | Confident | 89.2 | Confident | 79 Ų | 79 | 39.8 Ų | 39.8 | 55% | 0.552 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -58.7 | -35 | -176.9 | 57.6 | 0 | 0 | 0 | 0 | 112.8 | L332 D333 R370 | S329-L332 PolarHBondContact O-N 3.3Å; S329-D333 PolarHBondContact O-N 2.91Å; S329-D333 VanDerWaalsContact O-N 3.17Å; S329-R370 PolarHBondContact O-NH1 2.92Å; S329-R370 PolarHBondContact O-NH2 3.28Å |
| 330 | S | 90.1 | Very high | 89.8 | Confident | 65 Ų | 65 | 36.1 Ų | 36.1 | 46% | 0.455 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -62 | -44.1 | 173.5 | 34 | 0 | 0 | 0 | 0 | 112.9 | S328 L332 D333 D334 | S328-S330 PolarHBondContact O-N 3.38Å; S328-S330 VanDerWaalsContact O-N 3.17Å; S328-S330 PolarHBondContact OG-OG 3.39Å; S330-L332 VanDerWaalsContact C-N 3.29Å; S330-L332 PolarHBondContact O-N 3.38Å; S330-D333 WeakPolarHBondContact O-CB 3.42Å; S330-D333 PolarHBondContact O-N 2.89Å; S330-D333 VanDerWaalsContact O-N 3.12Å; S330-D334 PolarHBondContact O-N 3.49Å |
| 331 | L | 91.2 | Very high | 90.4 | Very high | 16 Ų | 16 | 39 Ų | 39 | 8% | 0.084 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.9 | -40.2 | 179.8 | -167.9 | 72.4 | 0 | 0 | 0 | 111.2 | L291 Q292 L295 L327 S328 D333 D334 L335 | L291-L331 HydrophobicContact CD2-CD2 4.13Å; L291-L331 HydrophobicContact CG-CD2 4.38Å; Q292-L331 HydrophobicContact CB-CD1 4.32Å; Q292-L331 HydrophobicContact CG-CD1 3.91Å; Q292-L331 HydrophobicContact CG-CD2 4.2Å; L295-L331 HydrophobicContact CD1-CD1 3.76Å; L295-L331 HydrophobicContact CD1-CG 4.16Å; L327-L331 HydrophobicContact CB-CD2 3.88Å; L327-L331 HydrophobicContact CD1-CD2 3.53Å; L327-L331 HydrophobicContact CG-CD2 4.29Å; S328-L331 WeakPolarHBondContact O-CB 3.21Å; S328-L331 PolarHBondContact O-N 3.48Å; S328-L331 WeakPolarHBondContact OG-CB 3.34Å; S328-L331 PolarHBondContact OG-N 2.73Å; L331-D333 VanDerWaalsContact C-N 3.34Å; L331-D333 PolarHBondContact O-N 3.09Å; L331-D334 PolarHBondContact O-N 3.28Å; L331-L335 VanDerWaalsContact O-CB 3.28Å; L331-L335 WeakPolarHBondContact O-CB 3.27Å; L331-L335 PolarHBondContact O-N 3.33Å |
| 332 | L | 91.3 | Very high | 90.6 | Very high | 3 Ų | 3 | 39 Ų | 39 | 2% | 0.016 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -71.9 | -24.2 | 177.5 | -66.4 | 173.6 | 0 | 0 | 0 | 113.6 | V324 S328 S329 S330 L335 I336 I366 | V324-L332 HydrophobicContact CG1-CD2 4.1Å; S328-L332 PolarHBondContact O-N 2.99Å; S329-L332 PolarHBondContact O-N 3.3Å; S330-L332 VanDerWaalsContact C-N 3.29Å; S330-L332 PolarHBondContact O-N 3.38Å; L332-L335 HydrophobicContact CD2-CD2 3.89Å; L332-I336 WeakPolarHBondContact O-CG1 3.5Å; L332-I336 PolarHBondContact O-N 3.02Å; L332-I366 HydrophobicContact CD1-CG2 3.76Å |
| 333 | D | 92.2 | Very high | 90.8 | Very high | 43 Ų | 43 | 36.5 Ų | 36.5 | 23% | 0.23 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -71.4 | -42.4 | 167.7 | -78.4 | -40.8 | 0 | 0 | 0 | 111 | S329 S330 L331 K337 R370 | S329-D333 PolarHBondContact O-N 2.91Å; S329-D333 VanDerWaalsContact O-N 3.17Å; S330-D333 WeakPolarHBondContact O-CB 3.42Å; S330-D333 PolarHBondContact O-N 2.89Å; S330-D333 VanDerWaalsContact O-N 3.12Å; L331-D333 VanDerWaalsContact C-N 3.34Å; L331-D333 PolarHBondContact O-N 3.09Å; D333-K337 WeakPolarHBondContact O-CB 3.41Å; D333-K337 WeakPolarHBondContact O-CE 3.49Å; D333-K337 VanDerWaalsContact O-CG 3.22Å; D333-K337 WeakPolarHBondContact O-CG 3.33Å; D333-K337 PolarHBondContact O-N 3.07Å; D333-R370 WeakPolarHBondContact OD1-CD 3.35Å; D333-R370 IonicContact OD1-CZ 3.57Å; D333-R370 IonicContact OD1-NE 2.74Å; D333-R370 IonicContact OD1-NH1 3.43Å; D333-R370 PolarHBondContact OD1-NH1 3.39Å; D333-R370 IonicContact OD2-NH1 3.69Å; D333-R370 PolarHBondContact OD2-NH1 3.13Å; D333-R370 VanDerWaalsContact OD2-NH1 3.11Å |
| 334 | D | 92.5 | Very high | 90.8 | Very high | 77 Ų | 77 | 36.4 Ų | 36.4 | 41% | 0.412 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -75 | -33.7 | -176.7 | -66.4 | -28 | 0 | 0 | 0 | 112.3 | S330 L331 K337 Y338 | S330-D334 PolarHBondContact O-N 3.49Å; L331-D334 PolarHBondContact O-N 3.28Å; D334-K337 PolarHBondContact O-N 3.05Å; D334-K337 IonicContact OD1-NZ 3.57Å; D334-K337 PolarHBondContact OD1-NZ 3.17Å; D334-Y338 WeakPolarHBondContact O-CB 3.07Å; D334-Y338 PolarHBondContact O-N 2.87Å |
| 335 | L | 94 | Very high | 90.6 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -54.3 | -55.7 | 169 | 176.8 | 60.8 | 0 | 0 | 0 | 111.6 | L291 L295 L311 V324 L331 L332 K337 Y338 S339 F357 | L291-L335 HydrophobicContact CD1-CD1 4.29Å; L291-L335 HydrophobicContact CD2-CD2 4.49Å; L295-L335 HydrophobicContact CD1-CB 4.04Å; L295-L335 HydrophobicContact CD1-CD1 4.36Å; L295-L335 HydrophobicContact CD2-CD1 4.17Å; L311-L335 HydrophobicContact CD1-CD1 4.32Å; L311-L335 HydrophobicContact CD2-CD1 3.48Å; L311-L335 VanDerWaalsContact CD2-CD1 3.48Å; V324-L335 HydrophobicContact CG1-CD2 4.07Å; L331-L335 VanDerWaalsContact O-CB 3.28Å; L331-L335 WeakPolarHBondContact O-CB 3.27Å; L331-L335 PolarHBondContact O-N 3.33Å; L332-L335 HydrophobicContact CD2-CD2 3.89Å; L335-K337 VanDerWaalsContact C-N 3.34Å; L335-K337 PolarHBondContact O-N 2.91Å; L335-Y338 WeakPolarHBondContact O-CB 3.32Å; L335-Y338 PolarHBondContact O-N 3.26Å; L335-Y338 VanDerWaalsContact O-N 3.08Å; L335-S339 PolarHBondContact O-N 3.03Å; L335-F357 HydrophobicContact CD1-CE1 4.39Å; L335-F357 HydrophobicContact CD1-CZ 3.81Å; L335-F357 HydrophobicContact CD2-CZ 4.25Å; L335-F357 HydrophobicContact CG-CZ 4.07Å |
| 336 | I | 94.6 | Very high | 90 | Very high | 2 Ų | 2 | 40.5 Ų | 40.5 | 1% | 0.01 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -68.4 | -33.4 | -178.3 | -64.5 | -65.9 | 0 | 0 | 0 | 111.4 | L332 Y338 S339 L340 T367 R370 F371 | L332-I336 WeakPolarHBondContact O-CG1 3.5Å; L332-I336 PolarHBondContact O-N 3.02Å; I336-Y338 VanDerWaalsContact C-N 3.33Å; I336-S339 PolarHBondContact O-OG 3.4Å; I336-S339 VanDerWaalsContact O-OG 3.14Å; I336-L340 HydrophobicContact CG2-CD1 3.92Å; I336-L340 HydrophobicContact CG2-CG 4.35Å; I336-L340 WeakPolarHBondContact O-CB 3.42Å; I336-L340 WeakPolarHBondContact O-CG 3.44Å; I336-L340 PolarHBondContact O-N 2.96Å; I336-T367 HydrophobicContact CD1-CG2 4.39Å; I336-R370 HydrophobicContact CB-CB 4.43Å; I336-R370 HydrophobicContact CG1-CB 4.13Å; I336-R370 HydrophobicContact CG2-CB 4.46Å; I336-F371 HydrophobicContact CG2-CB 4.28Å |
| 337 | K | 93.7 | Very high | 89.7 | Confident | 80 Ų | 80 | 34.9 Ų | 34.9 | 35% | 0.348 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -67 | -31.8 | 170.1 | -72.1 | 169.8 | -133.8 | 150.6 | 0 | 112.8 | D333 D334 L335 W341 | D333-K337 WeakPolarHBondContact O-CB 3.41Å; D333-K337 WeakPolarHBondContact O-CE 3.49Å; D333-K337 VanDerWaalsContact O-CG 3.22Å; D333-K337 WeakPolarHBondContact O-CG 3.33Å; D333-K337 PolarHBondContact O-N 3.07Å; D334-K337 PolarHBondContact O-N 3.05Å; D334-K337 IonicContact OD1-NZ 3.57Å; D334-K337 PolarHBondContact OD1-NZ 3.17Å; L335-K337 VanDerWaalsContact C-N 3.34Å; L335-K337 PolarHBondContact O-N 2.91Å; K337-W341 WeakPolarHBondContact O-CB 3.34Å; K337-W341 PolarHBondContact O-N 2.96Å |
| 338 | Y | 93.7 | Very high | 89.3 | Confident | 1 Ų | 1 | 34.5 Ų | 34.5 | 0% | 0.004 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -71.9 | -47.2 | 177.2 | -152.4 | -61.7 | 0 | 0 | 0 | 110.1 | L295 V297 R299 V307 D334 L335 I336 W341 L342 | L295-Y338 HydrophobicContact CB-CD2 4.47Å; L295-Y338 HydrophobicContact CD2-CD2 3.7Å; L295-Y338 HydrophobicContact CD2-CG 3.8Å; V297-Y338 PolarHBondContact O-OH 2.87Å; R299-Y338 VanDerWaalsContact CD-CZ 3.44Å; R299-Y338 HydrophobicContact CG-CE1 4.4Å; R299-Y338 HydrophobicContact CG-CE2 4.22Å; R299-Y338 WeakPolarHBondContact CG-OH 3.21Å; R299-Y338 VanDerWaalsContact CZ-CD2 3.45Å; R299-Y338 VanDerWaalsContact NE-CE2 3.28Å; V307-Y338 HydrophobicContact CB-CE1 3.92Å; V307-Y338 HydrophobicContact CG1-CD1 4Å; V307-Y338 HydrophobicContact CG1-CE1 3.55Å; V307-Y338 HydrophobicContact CG2-CE1 4.4Å; D334-Y338 WeakPolarHBondContact O-CB 3.07Å; D334-Y338 PolarHBondContact O-N 2.87Å; L335-Y338 WeakPolarHBondContact O-CB 3.32Å; L335-Y338 PolarHBondContact O-N 3.26Å; L335-Y338 VanDerWaalsContact O-N 3.08Å; I336-Y338 VanDerWaalsContact C-N 3.33Å; Y338-W341 HydrophobicContact CE1-CE3 4.4Å; Y338-W341 HydrophobicContact CE1-CZ3 4.48Å; Y338-W341 PolarHBondContact O-N 3.06Å; Y338-L342 HydrophobicContact CD1-CD1 3.67Å; Y338-L342 HydrophobicContact CD1-CG 3.89Å; Y338-L342 HydrophobicContact CE1-CD1 3.95Å; Y338-L342 HydrophobicContact CE1-CD2 4.21Å; Y338-L342 HydrophobicContact CE1-CG 4.05Å; Y338-L342 WeakPolarHBondContact O-CG 3.37Å; Y338-L342 PolarHBondContact O-N 3.33Å |
| 339 | S | 93.8 | Very high | 89.2 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64 | -41.8 | 176.9 | 64.4 | 0 | 0 | 0 | 0 | 112.7 | L335 I336 W341 L342 V343 S354 | L335-S339 PolarHBondContact O-N 3.03Å; I336-S339 PolarHBondContact O-OG 3.4Å; I336-S339 VanDerWaalsContact O-OG 3.14Å; S339-W341 VanDerWaalsContact C-N 3.3Å; S339-W341 PolarHBondContact O-N 2.57Å; S339-L342 WeakPolarHBondContact O-CB 3.31Å; S339-L342 PolarHBondContact O-N 3.07Å; S339-L342 VanDerWaalsContact O-N 3.14Å; S339-V343 WeakPolarHBondContact O-CG2 3.49Å; S339-V343 PolarHBondContact O-N 3.41Å; S339-S354 WeakPolarHBondContact CA-OG 3.23Å; S339-S354 PolarHBondContact O-OG 2.97Å |
| 340 | L | 93.7 | Very high | 89.2 | Confident | 4 Ų | 4 | 28.6 Ų | 28.6 | 2% | 0.021 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -63.4 | -33.7 | 175 | -70.3 | 173.1 | 0 | 0 | 0 | 112.8 | I336 V343 L358 F371 Q374 Y379 | I336-L340 HydrophobicContact CG2-CD1 3.92Å; I336-L340 HydrophobicContact CG2-CG 4.35Å; I336-L340 WeakPolarHBondContact O-CB 3.42Å; I336-L340 WeakPolarHBondContact O-CG 3.44Å; I336-L340 PolarHBondContact O-N 2.96Å; L340-V343 PolarHBondContact O-N 3.22Å; L340-L358 HydrophobicContact CD2-CD1 4.46Å; L340-F371 HydrophobicContact CD2-CD2 4.02Å; L340-F371 HydrophobicContact CD2-CE2 3.73Å; L340-Q374 HydrophobicContact CD1-CB 3.52Å; L340-Q374 HydrophobicContact CD1-CG 4.04Å; L340-Y379 HydrophobicContact CB-CD1 4.13Å; L340-Y379 HydrophobicContact CB-CE1 4.24Å; L340-Y379 HydrophobicContact CB-CG 4.36Å; L340-Y379 HydrophobicContact CD1-CD2 4.44Å; L340-Y379 HydrophobicContact CD1-CE2 4.36Å; L340-Y379 HydrophobicContact CD2-CD1 4.38Å; L340-Y379 HydrophobicContact CD2-CD2 3.91Å; L340-Y379 HydrophobicContact CD2-CG 3.79Å |
| 341 | W | 92.7 | Very high | 89.1 | Confident | 62 Ų | 62 | 26.6 Ų | 26.6 | 24% | 0.235 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -70.5 | -36.5 | 172.1 | 176.8 | 83.4 | 0 | 0 | 0 | 112.5 | R299 P300 A304 K337 Y338 S339 V343 E344 C345 | R299-W341 HydrophobicContact CB-CH2 3.84Å; R299-W341 HydrophobicContact CB-CZ2 3.79Å; R299-W341 HydrophobicContact CB-CZ3 4.24Å; R299-W341 VanDerWaalsContact CD-CZ3 3.42Å; R299-W341 HydrophobicContact CG-CD2 4.37Å; R299-W341 HydrophobicContact CG-CE3 3.96Å; R299-W341 HydrophobicContact CG-CH2 3.65Å; R299-W341 HydrophobicContact CG-CZ2 4.07Å; R299-W341 HydrophobicContact CG-CZ3 3.58Å; P300-W341 HydrophobicContact CB-CH2 4.5Å; P300-W341 HydrophobicContact CB-CZ2 4.15Å; A304-W341 HydrophobicContact CB-CH2 3.95Å; A304-W341 HydrophobicContact CB-CZ3 3.79Å; K337-W341 WeakPolarHBondContact O-CB 3.34Å; K337-W341 PolarHBondContact O-N 2.96Å; Y338-W341 HydrophobicContact CE1-CE3 4.4Å; Y338-W341 HydrophobicContact CE1-CZ3 4.48Å; Y338-W341 PolarHBondContact O-N 3.06Å; S339-W341 VanDerWaalsContact C-N 3.3Å; S339-W341 PolarHBondContact O-N 2.57Å; W341-V343 VanDerWaalsContact C-N 3.26Å; W341-V343 PolarHBondContact O-N 2.72Å; W341-E344 PolarHBondContact O-N 2.7Å; W341-C345 VanDerWaalsContact CH2-SG 3.53Å; W341-C345 WeakPolarHBondContact CZ3-SG 3.21Å; W341-C345 PolarHBondContact O-N 2.82Å |
| 342 | L | 91.2 | Very high | 89 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -64.3 | -29.8 | 174.3 | -72.8 | 167.6 | 0 | 0 | 0 | 112.7 | A304 L311 Y338 S339 E344 C345 A350 R351 S354 | A304-L342 VanDerWaalsContact O-CD2 3.29Å; A304-L342 WeakPolarHBondContact O-CD2 3.46Å; L311-L342 HydrophobicContact CD1-CD1 4.1Å; Y338-L342 HydrophobicContact CD1-CD1 3.67Å; Y338-L342 HydrophobicContact CD1-CG 3.89Å; Y338-L342 HydrophobicContact CE1-CD1 3.95Å; Y338-L342 HydrophobicContact CE1-CD2 4.21Å; Y338-L342 HydrophobicContact CE1-CG 4.05Å; Y338-L342 WeakPolarHBondContact O-CG 3.37Å; Y338-L342 PolarHBondContact O-N 3.33Å; S339-L342 WeakPolarHBondContact O-CB 3.31Å; S339-L342 PolarHBondContact O-N 3.07Å; S339-L342 VanDerWaalsContact O-N 3.14Å; L342-E344 PolarHBondContact O-N 2.76Å; L342-C345 WeakPolarHBondContact O-CB 3.42Å; L342-C345 PolarHBondContact O-N 3Å; L342-A350 HydrophobicContact CD2-CB 4.47Å; L342-R351 WeakPolarHBondContact O-CG 3.5Å; L342-S354 WeakPolarHBondContact CB-OG 3.31Å |
| 343 | V | 90.2 | Very high | 89 | Confident | 5 Ų | 5 | 28.6 Ų | 28.6 | 3% | 0.03 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -21.6 | 172.3 | 175.6 | 0 | 0 | 0 | 0 | 112.4 | S339 L340 W341 R351 L355 L358 A383 | S339-V343 WeakPolarHBondContact O-CG2 3.49Å; S339-V343 PolarHBondContact O-N 3.41Å; L340-V343 PolarHBondContact O-N 3.22Å; W341-V343 VanDerWaalsContact C-N 3.26Å; W341-V343 PolarHBondContact O-N 2.72Å; V343-R351 WeakPolarHBondContact O-CD 3.22Å; V343-R351 WeakPolarHBondContact O-CG 3.26Å; V343-L355 HydrophobicContact CG1-CD2 4.04Å; V343-L355 HydrophobicContact CG2-CD2 3.85Å; V343-L355 HydrophobicContact CG2-CG 4.11Å; V343-L358 HydrophobicContact CG2-CD1 3.71Å; V343-A383 HydrophobicContact CG1-CB 3.75Å |
| 344 | E | 87.3 | Confident | 89 | Confident | 86 Ų | 86 | 26.5 Ų | 26.5 | 40% | 0.402 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | 8.8 | 176 | -61.8 | -172.7 | 137.9 | 0 | 0 | 113.6 | W341 L342 Y379 | W341-E344 PolarHBondContact O-N 2.7Å; L342-E344 PolarHBondContact O-N 2.76Å; E344-Y379 HydrophobicContact CG-CD1 3.85Å; E344-Y379 HydrophobicContact CG-CE1 4.23Å |
| 345 | C | 81.6 | Confident | 89 | Confident | 16 Ų | 16 | 22.9 Ų | 22.9 | 11% | 0.108 | 12% | 0.117 | C | C | . | . | trans | -73.6 | 155 | 178.2 | -75 | 0 | 0 | 0 | 0 | 113.6 | W341 L342 A350 R351 | W341-C345 VanDerWaalsContact CH2-SG 3.53Å; W341-C345 WeakPolarHBondContact CZ3-SG 3.21Å; W341-C345 PolarHBondContact O-N 2.82Å; L342-C345 WeakPolarHBondContact O-CB 3.42Å; L342-C345 PolarHBondContact O-N 3Å; C345-A350 HydrophobicContact CB-CB 4.38Å; C345-R351 WeakPolarHBondContact O-CD 3.22Å; C345-R351 WeakPolarHBondContact O-CG 3.39Å; C345-R351 PolarHBondContact O-NE 2.89Å | ||
| 346 | S | 77.2 | Confident | 88.9 | Confident | 75 Ų | 75 | 23.5 Ų | 23.5 | 52% | 0.524 | 12% | 0.12 | S | C | . | . | S | Bend | trans | -57.1 | -59.9 | 172.4 | 41 | 0 | 0 | 0 | 0 | 111.7 | P348 R351 | S346-P348 WeakPolarHBondContact O-CD 3.31Å; S346-R351 PolarHBondContact O-NE 3.21Å; S346-R351 PolarHBondContact O-NH2 2.85Å |
| 347 | H | 81.3 | Confident | 88.9 | Confident | 13 Ų | 13 | 23.4 Ų | 23.4 | 6% | 0.06 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -57.3 | 121.1 | -174.3 | -44.7 | -71.7 | 0 | 0 | 0 | 112.4 | D51 D53 T305 S349 A350 R351 | D51-H347 PolarHBondContact O-CE1 3.38Å; D51-H347 IonicContact OD1-CE1 3.17Å; D51-H347 IonicContact OD1-NE2 2.97Å; D51-H347 IonicContact OD2-CE1 2.57Å; D51-H347 PolarHBondContact OD2-CE1 2.86Å; D51-H347 IonicContact OD2-NE2 3.46Å; D53-H347 HydrophobicContact CB-CB 4.24Å; D53-H347 WeakPolarHBondContact OD2-CB 3.4Å; T305-H347 HydrophobicContact CG2-CB 4.37Å; T305-H347 WeakPolarHBondContact CG2-CD2 3.28Å; H347-S349 VanDerWaalsContact C-N 3.29Å; H347-S349 PolarHBondContact O-N 2.56Å; H347-A350 HydrophobicContact CB-CB 4.24Å; H347-A350 PolarHBondContact O-N 2.84Å; H347-R351 PolarHBondContact O-N 2.94Å |
| 348 | P | 80.5 | Confident | 88.9 | Confident | 35 Ų | 35 | 19.6 Ų | 19.6 | 23% | 0.227 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -55.1 | -38.4 | 174.5 | -28.4 | 36.3 | 0 | 0 | 0 | 114 | D53 S346 R351 C352 V407 | D53-P348 VanDerWaalsContact OD2-CD 3.24Å; D53-P348 WeakPolarHBondContact OD2-CD 3.33Å; S346-P348 WeakPolarHBondContact O-CD 3.31Å; P348-R351 PolarHBondContact O-N 3.25Å; P348-C352 WeakPolarHBondContact O-CB 3.39Å; P348-C352 PolarHBondContact O-N 3.23Å; P348-V407 HydrophobicContact CB-CG2 3.99Å; P348-V407 WeakPolarHBondContact O-CG2 3.44Å |
| 349 | S | 83.5 | Confident | 88.9 | Confident | 16 Ų | 16 | 21.4 Ų | 21.4 | 11% | 0.112 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -58.8 | -51.1 | 179.8 | 67.9 | 0 | 0 | 0 | 0 | 111.8 | D53 H347 R351 C352 Y353 | D53-S349 VanDerWaalsContact OD1-CB 3.32Å; D53-S349 WeakPolarHBondContact OD1-CB 3.49Å; D53-S349 PolarHBondContact OD1-OG 2.9Å; D53-S349 WeakPolarHBondContact OD2-CB 3.35Å; D53-S349 PolarHBondContact OD2-N 3.07Å; D53-S349 PolarHBondContact OD2-OG 2.98Å; H347-S349 VanDerWaalsContact C-N 3.29Å; H347-S349 PolarHBondContact O-N 2.56Å; S349-R351 VanDerWaalsContact C-N 3.29Å; S349-R351 PolarHBondContact O-N 2.89Å; S349-C352 WeakPolarHBondContact O-CA 3.48Å; S349-C352 WeakPolarHBondContact O-CB 3.38Å; S349-C352 PolarHBondContact O-N 2.74Å; S349-Y353 VanDerWaalsContact O-CD2 3.23Å; S349-Y353 WeakPolarHBondContact O-CD2 3.36Å; S349-Y353 PolarHBondContact O-N 2.91Å |
| 350 | A | 87.4 | Confident | 88.8 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -62.9 | -35.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | T305 S308 L342 C345 H347 S354 | T305-A350 HydrophobicContact CG2-CB 4.13Å; S308-A350 WeakPolarHBondContact CB-O 3.01Å; S308-A350 WeakPolarHBondContact OG-CA 3.34Å; L342-A350 HydrophobicContact CD2-CB 4.47Å; C345-A350 HydrophobicContact CB-CB 4.38Å; H347-A350 HydrophobicContact CB-CB 4.24Å; H347-A350 PolarHBondContact O-N 2.84Å; A350-S354 VanDerWaalsContact O-CB 3.27Å; A350-S354 WeakPolarHBondContact O-CB 3.29Å; A350-S354 PolarHBondContact O-N 3.2Å |
| 351 | R | 88.4 | Confident | 88.8 | Confident | 23 Ų | 23 | 23.8 Ų | 23.8 | 9% | 0.087 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -65.2 | -48.6 | 170.2 | -71.4 | -173.5 | -85.4 | 162.9 | -10 | 110.9 | L342 V343 C345 S346 H347 P348 S349 S354 L355 V407 | L342-R351 WeakPolarHBondContact O-CG 3.5Å; V343-R351 WeakPolarHBondContact O-CD 3.22Å; V343-R351 WeakPolarHBondContact O-CG 3.26Å; C345-R351 WeakPolarHBondContact O-CD 3.22Å; C345-R351 WeakPolarHBondContact O-CG 3.39Å; C345-R351 PolarHBondContact O-NE 2.89Å; S346-R351 PolarHBondContact O-NE 3.21Å; S346-R351 PolarHBondContact O-NH2 2.85Å; H347-R351 PolarHBondContact O-N 2.94Å; P348-R351 PolarHBondContact O-N 3.25Å; S349-R351 VanDerWaalsContact C-N 3.29Å; S349-R351 PolarHBondContact O-N 2.89Å; R351-S354 PolarHBondContact O-N 2.77Å; R351-L355 WeakPolarHBondContact O-CB 3.27Å; R351-L355 WeakPolarHBondContact O-CD1 3.11Å; R351-L355 WeakPolarHBondContact O-CG 3.21Å; R351-L355 PolarHBondContact O-N 3.06Å; R351-V407 HydrophobicContact CB-CG1 3.76Å |
| 352 | C | 88.1 | Confident | 88.8 | Confident | 15 Ų | 15 | 20.9 Ų | 20.9 | 10% | 0.101 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -57.3 | -56 | -178.1 | -154.5 | 0 | 0 | 0 | 0 | 112.4 | P348 S349 S354 L355 F356 V407 | P348-C352 WeakPolarHBondContact O-CB 3.39Å; P348-C352 PolarHBondContact O-N 3.23Å; S349-C352 WeakPolarHBondContact O-CA 3.48Å; S349-C352 WeakPolarHBondContact O-CB 3.38Å; S349-C352 PolarHBondContact O-N 2.74Å; C352-S354 VanDerWaalsContact C-N 3.33Å; C352-S354 PolarHBondContact O-N 2.79Å; C352-L355 PolarHBondContact O-N 3.49Å; C352-L355 VanDerWaalsContact O-N 3.15Å; C352-F356 WeakPolarHBondContact O-CD2 3.15Å; C352-F356 PolarHBondContact O-N 3.3Å; C352-F356 WeakPolarHBondContact SG-CE2 3.39Å; C352-V407 HydrophobicContact CB-CG2 4.05Å |
| 353 | Y | 90.7 | Very high | 88.9 | Confident | 46 Ų | 46 | 21.7 Ų | 21.7 | 18% | 0.18 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -63.2 | -36.5 | 179.9 | -71 | -68.7 | 0 | 0 | 0 | 112.6 | S308 V309 Y312 S349 F356 F357 L1610 | S308-Y353 WeakPolarHBondContact OG-CB 3.41Å; V309-Y353 HydrophobicContact CG1-CE1 4.33Å; V309-Y353 HydrophobicContact CG2-CD2 3.69Å; V309-Y353 HydrophobicContact CG2-CE2 3.82Å; V309-Y353 HydrophobicContact CG2-CG 4.12Å; Y312-Y353 AromaticContact CD1-CD1 3.84Å; Y312-Y353 HydrophobicContact CD1-CD1 3.84Å; Y312-Y353 HydrophobicContact CD1-CE1 4.14Å; Y312-Y353 AromaticContact CG-CD1 3.93Å; Y312-Y353 HydrophobicContact CG-CD1 3.93Å; S349-Y353 VanDerWaalsContact O-CD2 3.23Å; S349-Y353 WeakPolarHBondContact O-CD2 3.36Å; S349-Y353 PolarHBondContact O-N 2.91Å; Y353-F356 PolarHBondContact O-N 2.74Å; Y353-F357 WeakPolarHBondContact O-CB 3.09Å; Y353-F357 PolarHBondContact O-N 2.96Å; Y353-L1610 HydrophobicContact CE1-CD2 4.31Å |
| 354 | S | 93.1 | Very high | 89 | Confident | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -68.1 | -34.6 | 175 | -168.7 | 0 | 0 | 0 | 0 | 113 | S339 L342 A350 R351 C352 L358 | S339-S354 WeakPolarHBondContact CA-OG 3.23Å; S339-S354 PolarHBondContact O-OG 2.97Å; L342-S354 WeakPolarHBondContact CB-OG 3.31Å; A350-S354 VanDerWaalsContact O-CB 3.27Å; A350-S354 WeakPolarHBondContact O-CB 3.29Å; A350-S354 PolarHBondContact O-N 3.2Å; R351-S354 PolarHBondContact O-N 2.77Å; C352-S354 VanDerWaalsContact C-N 3.33Å; C352-S354 PolarHBondContact O-N 2.79Å; S354-L358 WeakPolarHBondContact O-CB 3.48Å; S354-L358 VanDerWaalsContact O-CG 3.28Å; S354-L358 WeakPolarHBondContact O-CG 3.29Å; S354-L358 PolarHBondContact O-N 3.41Å |
| 355 | L | 93 | Very high | 89.2 | Confident | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -70.1 | -39.7 | 174.4 | -70.9 | 164.4 | 0 | 0 | 0 | 112 | V343 R351 C352 L358 H359 L380 A383 V407 A410 S411 A414 | V343-L355 HydrophobicContact CG1-CD2 4.04Å; V343-L355 HydrophobicContact CG2-CD2 3.85Å; V343-L355 HydrophobicContact CG2-CG 4.11Å; R351-L355 WeakPolarHBondContact O-CB 3.27Å; R351-L355 WeakPolarHBondContact O-CD1 3.11Å; R351-L355 WeakPolarHBondContact O-CG 3.21Å; R351-L355 PolarHBondContact O-N 3.06Å; C352-L355 PolarHBondContact O-N 3.49Å; C352-L355 VanDerWaalsContact O-N 3.15Å; L355-L358 PolarHBondContact O-N 2.93Å; L355-H359 PolarHBondContact O-N 3.38Å; L355-L380 HydrophobicContact CD2-CD2 3.43Å; L355-L380 VanDerWaalsContact CD2-CD2 3.43Å; L355-A383 HydrophobicContact CD1-CB 4.28Å; L355-A383 HydrophobicContact CD2-CB 4.33Å; L355-V407 HydrophobicContact CD1-CG1 3.49Å; L355-V407 VanDerWaalsContact CD1-CG1 3.49Å; L355-A410 HydrophobicContact CB-CB 3.65Å; L355-A410 HydrophobicContact CD1-CB 4.18Å; L355-S411 VanDerWaalsContact CD1-OG 3.22Å; L355-S411 WeakPolarHBondContact CD1-OG 3.35Å; L355-A414 HydrophobicContact CD2-CB 4.47Å |
| 356 | F | 91 | Very high | 89.6 | Confident | 14 Ų | 14 | 18.2 Ų | 18.2 | 6% | 0.061 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -66.2 | -42.5 | 172.2 | -74.3 | -55.9 | 0 | 0 | 0 | 112.2 | Y312 C352 Y353 L358 H359 L360 A410 L1614 | Y312-F356 HydrophobicContact CD2-CB 3.67Å; Y312-F356 HydrophobicContact CE2-CB 3.8Å; Y312-F356 HydrophobicContact CE2-CG 4.49Å; C352-F356 WeakPolarHBondContact O-CD2 3.15Å; C352-F356 PolarHBondContact O-N 3.3Å; C352-F356 WeakPolarHBondContact SG-CE2 3.39Å; Y353-F356 PolarHBondContact O-N 2.74Å; F356-L358 VanDerWaalsContact C-N 3.32Å; F356-L358 PolarHBondContact O-N 3.46Å; F356-H359 WeakPolarHBondContact O-CB 3.39Å; F356-H359 PolarHBondContact O-N 2.85Å; F356-H359 VanDerWaalsContact O-N 3.17Å; F356-L360 WeakPolarHBondContact O-CG 3.45Å; F356-L360 PolarHBondContact O-N 3.46Å; F356-A410 HydrophobicContact CD1-CB 4.12Å; F356-A410 HydrophobicContact CD2-CB 4.12Å; F356-A410 HydrophobicContact CE1-CB 3.9Å; F356-A410 HydrophobicContact CE2-CB 3.91Å; F356-A410 HydrophobicContact CG-CB 4.22Å; F356-A410 HydrophobicContact CZ-CB 3.79Å; F356-L1614 HydrophobicContact CE1-CD1 3.99Å; F356-L1614 HydrophobicContact CE2-CD1 4.26Å; F356-L1614 HydrophobicContact CZ-CD1 3.8Å |
| 357 | F | 93.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -53.1 | -49.5 | 169.5 | 168.3 | -103.9 | 0 | 0 | 0 | 111.3 | L311 A315 L335 Y353 H359 L360 V361 | L311-F357 HydrophobicContact CB-CD1 4.5Å; L311-F357 HydrophobicContact CB-CD2 3.89Å; L311-F357 HydrophobicContact CB-CE2 4.19Å; L311-F357 HydrophobicContact CB-CG 4.04Å; L311-F357 HydrophobicContact CD2-CE2 4.34Å; L311-F357 HydrophobicContact CD2-CZ 4.41Å; L311-F357 WeakPolarHBondContact O-CD2 3.36Å; A315-F357 HydrophobicContact CB-CD2 3.73Å; A315-F357 HydrophobicContact CB-CE2 4.14Å; L335-F357 HydrophobicContact CD1-CE1 4.39Å; L335-F357 HydrophobicContact CD1-CZ 3.81Å; L335-F357 HydrophobicContact CD2-CZ 4.25Å; L335-F357 HydrophobicContact CG-CZ 4.07Å; Y353-F357 WeakPolarHBondContact O-CB 3.09Å; Y353-F357 PolarHBondContact O-N 2.96Å; F357-H359 PolarHBondContact O-N 2.8Å; F357-L360 PolarHBondContact O-N 2.74Å; F357-V361 HydrophobicContact CD1-CG2 4.43Å; F357-V361 HydrophobicContact CD2-CG1 3.81Å; F357-V361 HydrophobicContact CE1-CG2 4.02Å; F357-V361 HydrophobicContact CE2-CG1 3.43Å; F357-V361 VanDerWaalsContact CE2-CG1 3.43Å; F357-V361 HydrophobicContact CE2-CG2 4.39Å; F357-V361 HydrophobicContact CZ-CG1 3.83Å; F357-V361 HydrophobicContact CZ-CG2 4Å; F357-V361 WeakPolarHBondContact O-CG1 3.44Å; F357-V361 WeakPolarHBondContact O-CG2 3.37Å; F357-V361 PolarHBondContact O-N 3.16Å |
| 358 | L | 94.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -61.6 | -42.3 | 176.7 | -75.6 | 168.9 | 0 | 0 | 0 | 112.3 | L340 V343 S354 L355 F356 L360 L362 F371 L380 | L340-L358 HydrophobicContact CD2-CD1 4.46Å; V343-L358 HydrophobicContact CG2-CD1 3.71Å; S354-L358 WeakPolarHBondContact O-CB 3.48Å; S354-L358 VanDerWaalsContact O-CG 3.28Å; S354-L358 WeakPolarHBondContact O-CG 3.29Å; S354-L358 PolarHBondContact O-N 3.41Å; L355-L358 PolarHBondContact O-N 2.93Å; F356-L358 VanDerWaalsContact C-N 3.32Å; F356-L358 PolarHBondContact O-N 3.46Å; L358-L360 VanDerWaalsContact C-N 3.32Å; L358-L360 PolarHBondContact O-N 3.05Å; L358-L362 VanDerWaalsContact O-CB 3.22Å; L358-L362 WeakPolarHBondContact O-CB 3.22Å; L358-L362 WeakPolarHBondContact O-CD1 3.47Å; L358-L362 WeakPolarHBondContact O-CG 3.39Å; L358-L362 PolarHBondContact O-N 3.21Å; L358-F371 HydrophobicContact CD1-CE2 4.22Å; L358-F371 HydrophobicContact CD2-CD2 3.76Å; L358-F371 HydrophobicContact CD2-CE2 3.87Å; L358-L380 HydrophobicContact CD1-CD2 4.08Å |
| 359 | H | 93.7 | Very high | 91.4 | Very high | 40 Ų | 40 | 17.7 Ų | 17.7 | 19% | 0.185 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -58.4 | -41.8 | 175 | 172.8 | 87.7 | 0 | 0 | 0 | 112.4 | L355 F356 F357 C413 A414 R417 | L355-H359 PolarHBondContact O-N 3.38Å; F356-H359 WeakPolarHBondContact O-CB 3.39Å; F356-H359 PolarHBondContact O-N 2.85Å; F356-H359 VanDerWaalsContact O-N 3.17Å; F357-H359 PolarHBondContact O-N 2.8Å; H359-C413 VanDerWaalsContact ND1-C 3.31Å; H359-C413 PolarHBondContact ND1-O 3.3Å; H359-A414 HydrophobicContact CB-CB 4.45Å; H359-R417 PolarHBondContact CE1-NE 3.2Å; H359-R417 PolarHBondContact CE1-NH2 2.9Å; H359-R417 PolarHBondContact NE2-NE 2.97Å; H359-R417 PolarHBondContact NE2-NH2 3.43Å; H359-R417 WeakPolarHBondContact O-CG 3.49Å |
| 360 | L | 92.4 | Very high | 91.8 | Very high | 53 Ų | 53 | 18.5 Ų | 18.5 | 28% | 0.277 | 8% | 0.083 | S | C | . | . | H | α-helix | trans | -70.7 | -53.3 | 177.6 | -66.7 | 173.4 | 0 | 0 | 0 | 111.2 | Y312 A315 F356 F357 L358 L362 C363 | Y312-L360 HydrophobicContact CD2-CD1 4.23Å; Y312-L360 HydrophobicContact CE2-CD1 4.05Å; A315-L360 HydrophobicContact CB-CB 3.82Å; A315-L360 HydrophobicContact CB-CD1 3.91Å; F356-L360 WeakPolarHBondContact O-CG 3.45Å; F356-L360 PolarHBondContact O-N 3.46Å; F357-L360 PolarHBondContact O-N 2.74Å; L358-L360 VanDerWaalsContact C-N 3.32Å; L358-L360 PolarHBondContact O-N 3.05Å; L360-L362 VanDerWaalsContact C-N 3.31Å; L360-L362 PolarHBondContact O-N 3.49Å; L360-C363 PolarHBondContact O-SG 2.98Å |
| 361 | V | 93.2 | Very high | 92.1 | Very high | 1 Ų | 1 | 18.5 Ų | 18.5 | 1% | 0.006 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -75.7 | -13.6 | -171.8 | -51.9 | 0 | 0 | 0 | 0 | 114.7 | A315 M321 F357 C363 Y364 T367 | A315-V361 HydrophobicContact CB-CG1 3.58Å; M321-V361 HydrophobicContact CE-CB 4.08Å; M321-V361 HydrophobicContact CE-CG1 3.51Å; M321-V361 HydrophobicContact SD-CG1 3.96Å; F357-V361 HydrophobicContact CD1-CG2 4.43Å; F357-V361 HydrophobicContact CD2-CG1 3.81Å; F357-V361 HydrophobicContact CE1-CG2 4.02Å; F357-V361 HydrophobicContact CE2-CG1 3.43Å; F357-V361 VanDerWaalsContact CE2-CG1 3.43Å; F357-V361 HydrophobicContact CE2-CG2 4.39Å; F357-V361 HydrophobicContact CZ-CG1 3.83Å; F357-V361 HydrophobicContact CZ-CG2 4Å; F357-V361 WeakPolarHBondContact O-CG1 3.44Å; F357-V361 WeakPolarHBondContact O-CG2 3.37Å; F357-V361 PolarHBondContact O-N 3.16Å; V361-C363 PolarHBondContact O-N 2.87Å; V361-Y364 PolarHBondContact O-N 3.29Å; V361-Y364 VanDerWaalsContact O-N 3.16Å; V361-T367 HydrophobicContact CB-CG2 4.31Å; V361-T367 HydrophobicContact CG2-CG2 4.39Å; V361-T367 PolarHBondContact O-OG1 2.87Å |
| 362 | L | 93.3 | Very high | 92.3 | Very high | 1 Ų | 1 | 22.7 Ų | 22.7 | 1% | 0.005 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -15.2 | 179.7 | -86.9 | 169.4 | 0 | 0 | 0 | 114.2 | L358 L360 Y364 F368 F371 R417 F418 | L358-L362 VanDerWaalsContact O-CB 3.22Å; L358-L362 WeakPolarHBondContact O-CB 3.22Å; L358-L362 WeakPolarHBondContact O-CD1 3.47Å; L358-L362 WeakPolarHBondContact O-CG 3.39Å; L358-L362 PolarHBondContact O-N 3.21Å; L360-L362 VanDerWaalsContact C-N 3.31Å; L360-L362 PolarHBondContact O-N 3.49Å; L362-Y364 VanDerWaalsContact C-N 3.29Å; L362-F368 HydrophobicContact CD2-CD2 3.92Å; L362-F371 HydrophobicContact CD2-CB 4.13Å; L362-F371 HydrophobicContact CD2-CD1 3.74Å; L362-F371 HydrophobicContact CD2-CD2 4.31Å; L362-F371 HydrophobicContact CD2-CE1 4.17Å; L362-F371 HydrophobicContact CD2-CG 3.81Å; L362-R417 HydrophobicContact CB-CG 4.06Å; L362-F418 HydrophobicContact CD1-CB 4.04Å; L362-F418 HydrophobicContact CD2-CD2 4.3Å |
| 363 | C | 92 | Very high | 92.4 | Very high | 16 Ų | 16 | 28.1 Ų | 28.1 | 11% | 0.108 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -16.1 | 173.3 | 70.7 | 0 | 0 | 0 | 0 | 113.6 | L360 V361 I421 P452 I453 | L360-C363 PolarHBondContact O-SG 2.98Å; V361-C363 PolarHBondContact O-N 2.87Å; C363-I421 HydrophobicContact CB-CD1 4.06Å; C363-P452 VanDerWaalsContact SG-CB 3.59Å; C363-I453 WeakPolarHBondContact O-CB 3.44Å; C363-I453 WeakPolarHBondContact O-CD1 3.25Å; C363-I453 VanDerWaalsContact O-CG1 3.26Å; C363-I453 WeakPolarHBondContact O-CG1 3.31Å; C363-I453 PolarHBondContact O-N 2.99Å |
| 364 | Y | 92.8 | Very high | 92.4 | Very high | 6 Ų | 6 | 28.9 Ų | 28.9 | 2% | 0.024 | 13% | 0.133 | C | C | . | . | B | Isolated β-bridge | trans | -83.6 | 132 | 179.4 | -67.3 | -99.4 | 0 | 0 | 0 | 111.2 | E318 M321 E322 V361 L362 I366 T367 F368 C450 P452 | E318-Y364 WeakPolarHBondContact CA-OH 3.26Å; E318-Y364 PolarHBondContact O-OH 3.44Å; M321-Y364 HydrophobicContact CB-CE1 3.95Å; M321-Y364 HydrophobicContact CB-CE2 3.9Å; M321-Y364 VanDerWaalsContact CB-CZ 3.5Å; M321-Y364 WeakPolarHBondContact CB-OH 3.17Å; M321-Y364 HydrophobicContact CG-CE2 4.43Å; E322-Y364 HydrophobicContact CG-CE1 4.45Å; V361-Y364 PolarHBondContact O-N 3.29Å; V361-Y364 VanDerWaalsContact O-N 3.16Å; L362-Y364 VanDerWaalsContact C-N 3.29Å; Y364-I366 VanDerWaalsContact C-N 3.26Å; Y364-I366 PolarHBondContact O-N 3.14Å; Y364-I366 VanDerWaalsContact O-N 3.16Å; Y364-T367 WeakPolarHBondContact CB-OG1 3.49Å; Y364-T367 PolarHBondContact O-OG1 3.04Å; Y364-F368 WeakPolarHBondContact O-CB 3.43Å; Y364-F368 PolarHBondContact O-N 3.2Å; Y364-F368 VanDerWaalsContact O-N 3.14Å; Y364-C450 WeakPolarHBondContact CD1-O 3.45Å; Y364-C450 WeakPolarHBondContact CE1-O 3.31Å; Y364-P452 HydrophobicContact CE1-CB 4.05Å; Y364-P452 HydrophobicContact CE1-CG 4.27Å; Y364-P452 HydrophobicContact CE2-CB 4.07Å |
| 365 | G | 90.4 | Very high | 92.2 | Very high | 2 Ų | 2 | 33.1 Ų | 33.1 | 2% | 0.021 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -65 | -22.6 | -172.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | R369 G449 | G365-R369 WeakPolarHBondContact O-CG 3.23Å; G365-R369 PolarHBondContact O-NE 2.94Å; G365-R369 PolarHBondContact O-NH2 2.91Å; G365-G449 PolarHBondContact N-O 3Å |
| 366 | I | 90.9 | Very high | 92.1 | Very high | 27 Ų | 27 | 33.1 Ų | 33.1 | 14% | 0.138 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -83.2 | -51.8 | 178 | -68.8 | 162.1 | 0 | 0 | 0 | 111.7 | C325 L332 Y364 F368 R369 R370 G449 | C325-I366 HydrophobicContact CB-CD1 4.43Å; C325-I366 WeakPolarHBondContact O-CD1 3.24Å; L332-I366 HydrophobicContact CD1-CG2 3.76Å; Y364-I366 VanDerWaalsContact C-N 3.26Å; Y364-I366 PolarHBondContact O-N 3.14Å; Y364-I366 VanDerWaalsContact O-N 3.16Å; I366-F368 PolarHBondContact O-N 3.04Å; I366-R369 PolarHBondContact O-N 3.31Å; I366-R370 WeakPolarHBondContact O-CG 3.06Å; I366-R370 PolarHBondContact O-N 3.42Å; I366-R370 VanDerWaalsContact O-N 3.16Å; I366-G449 PolarHBondContact N-O 3.19Å; I366-G449 VanDerWaalsContact N-O 3.13Å |
| 367 | T | 91.8 | Very high | 92.1 | Very high | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.006 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -57.9 | -46.4 | 179.2 | 47.6 | 0 | 0 | 0 | 0 | 111 | I336 V361 Y364 R369 R370 F371 | I336-T367 HydrophobicContact CD1-CG2 4.39Å; V361-T367 HydrophobicContact CB-CG2 4.31Å; V361-T367 HydrophobicContact CG2-CG2 4.39Å; V361-T367 PolarHBondContact O-OG1 2.87Å; Y364-T367 WeakPolarHBondContact CB-OG1 3.49Å; Y364-T367 PolarHBondContact O-OG1 3.04Å; T367-R369 VanDerWaalsContact C-N 3.33Å; T367-R369 PolarHBondContact O-N 3.41Å; T367-R370 PolarHBondContact O-N 3.12Å; T367-F371 WeakPolarHBondContact O-CB 3.37Å; T367-F371 PolarHBondContact O-N 2.88Å |
| 368 | F | 93.2 | Very high | 92 | Very high | 7 Ų | 7 | 33.8 Ų | 33.8 | 3% | 0.031 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -52.6 | -48.5 | 174.7 | -178.4 | -83 | 0 | 0 | 0 | 111.9 | L362 Y364 I366 R370 F371 E372 F418 I421 S422 L425 | L362-F368 HydrophobicContact CD2-CD2 3.92Å; Y364-F368 WeakPolarHBondContact O-CB 3.43Å; Y364-F368 PolarHBondContact O-N 3.2Å; Y364-F368 VanDerWaalsContact O-N 3.14Å; I366-F368 PolarHBondContact O-N 3.04Å; F368-R370 VanDerWaalsContact C-N 3.3Å; F368-R370 PolarHBondContact O-N 2.73Å; F368-F371 PolarHBondContact O-N 3.19Å; F368-E372 WeakPolarHBondContact O-CB 3.37Å; F368-E372 PolarHBondContact O-N 2.86Å; F368-F418 HydrophobicContact CD2-CD2 4.43Å; F368-F418 AromaticContact CE2-CD2 3.7Å; F368-F418 HydrophobicContact CE2-CD2 3.7Å; F368-F418 AromaticContact CE2-CE2 3.78Å; F368-F418 HydrophobicContact CE2-CE2 3.78Å; F368-F418 HydrophobicContact CZ-CD2 4.27Å; F368-F418 AromaticContact CZ-CE2 3.87Å; F368-F418 HydrophobicContact CZ-CE2 3.87Å; F368-I421 HydrophobicContact CD2-CB 4.05Å; F368-I421 HydrophobicContact CD2-CG2 3.48Å; F368-I421 VanDerWaalsContact CD2-CG2 3.48Å; F368-I421 HydrophobicContact CE2-CB 3.99Å; F368-I421 HydrophobicContact CE2-CG2 3.7Å; F368-I421 HydrophobicContact CG-CG2 4.06Å; F368-I421 HydrophobicContact CZ-CG2 4.44Å; F368-S422 WeakPolarHBondContact CZ-OG 3.48Å; F368-L425 HydrophobicContact CD1-CD1 3.66Å; F368-L425 HydrophobicContact CE1-CD1 3.52Å; F368-L425 HydrophobicContact CG-CD1 4.32Å; F368-L425 HydrophobicContact CZ-CD1 4.04Å |
| 369 | R | 91.7 | Very high | 91.8 | Very high | 103 Ų | 103 | 35.4 Ų | 35.4 | 39% | 0.389 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -64.1 | -30.1 | 179.2 | -81.7 | -178.3 | -82.2 | 152.1 | -10.9 | 113.3 | G365 I366 T367 Q373 A446 | G365-R369 WeakPolarHBondContact O-CG 3.23Å; G365-R369 PolarHBondContact O-NE 2.94Å; G365-R369 PolarHBondContact O-NH2 2.91Å; I366-R369 PolarHBondContact O-N 3.31Å; T367-R369 VanDerWaalsContact C-N 3.33Å; T367-R369 PolarHBondContact O-N 3.41Å; R369-Q373 VanDerWaalsContact O-CD 3.22Å; R369-Q373 WeakPolarHBondContact O-CG 3.29Å; R369-Q373 PolarHBondContact O-N 3.17Å; R369-Q373 PolarHBondContact O-NE2 3.32Å; R369-A446 PolarHBondContact NH2-O 2.96Å |
| 370 | R | 92 | Very high | 91.8 | Very high | 34 Ų | 34 | 33.5 Ų | 33.5 | 13% | 0.128 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -78.8 | -40.1 | 174.7 | -57 | -48.9 | -178 | 69.9 | 18 | 111.8 | S329 D333 I336 I366 T367 F368 E372 Q373 Q374 | S329-R370 PolarHBondContact O-NH1 2.92Å; S329-R370 PolarHBondContact O-NH2 3.28Å; D333-R370 WeakPolarHBondContact OD1-CD 3.35Å; D333-R370 IonicContact OD1-CZ 3.57Å; D333-R370 IonicContact OD1-NE 2.74Å; D333-R370 IonicContact OD1-NH1 3.43Å; D333-R370 PolarHBondContact OD1-NH1 3.39Å; D333-R370 IonicContact OD2-NH1 3.69Å; D333-R370 PolarHBondContact OD2-NH1 3.13Å; D333-R370 VanDerWaalsContact OD2-NH1 3.11Å; I336-R370 HydrophobicContact CB-CB 4.43Å; I336-R370 HydrophobicContact CG1-CB 4.13Å; I336-R370 HydrophobicContact CG2-CB 4.46Å; I366-R370 WeakPolarHBondContact O-CG 3.06Å; I366-R370 PolarHBondContact O-N 3.42Å; I366-R370 VanDerWaalsContact O-N 3.16Å; T367-R370 PolarHBondContact O-N 3.12Å; F368-R370 VanDerWaalsContact C-N 3.3Å; F368-R370 PolarHBondContact O-N 2.73Å; R370-E372 PolarHBondContact O-N 3.15Å; R370-Q373 WeakPolarHBondContact O-CB 3.23Å; R370-Q373 PolarHBondContact O-N 2.98Å; R370-Q373 VanDerWaalsContact O-N 3.17Å; R370-Q374 WeakPolarHBondContact O-CG 3.47Å; R370-Q374 PolarHBondContact O-N 3.44Å; R370-Q374 VanDerWaalsContact O-N 3.12Å |
| 371 | F | 94.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -59.4 | -45.2 | 175.2 | 178.9 | -88.7 | 0 | 0 | 0 | 111.4 | I336 L340 L358 L362 T367 F368 Q373 Q374 N375 G376 L380 F418 | I336-F371 HydrophobicContact CG2-CB 4.28Å; L340-F371 HydrophobicContact CD2-CD2 4.02Å; L340-F371 HydrophobicContact CD2-CE2 3.73Å; L358-F371 HydrophobicContact CD1-CE2 4.22Å; L358-F371 HydrophobicContact CD2-CD2 3.76Å; L358-F371 HydrophobicContact CD2-CE2 3.87Å; L362-F371 HydrophobicContact CD2-CB 4.13Å; L362-F371 HydrophobicContact CD2-CD1 3.74Å; L362-F371 HydrophobicContact CD2-CD2 4.31Å; L362-F371 HydrophobicContact CD2-CE1 4.17Å; L362-F371 HydrophobicContact CD2-CG 3.81Å; T367-F371 WeakPolarHBondContact O-CB 3.37Å; T367-F371 PolarHBondContact O-N 2.88Å; F368-F371 PolarHBondContact O-N 3.19Å; F371-Q373 PolarHBondContact O-N 3.18Å; F371-Q374 PolarHBondContact O-N 3.26Å; F371-N375 PolarHBondContact O-N 3.02Å; F371-G376 VanDerWaalsContact CE1-C 3.49Å; F371-G376 VanDerWaalsContact CZ-CA 3.45Å; F371-G376 WeakPolarHBondContact CZ-O 3.38Å; F371-G376 PolarHBondContact O-N 3.44Å; F371-L380 HydrophobicContact CE1-CD1 4.41Å; F371-L380 HydrophobicContact CE2-CD1 4.48Å; F371-L380 HydrophobicContact CE2-CG 4.43Å; F371-L380 HydrophobicContact CZ-CD1 3.63Å; F371-L380 HydrophobicContact CZ-CD2 4.42Å; F371-L380 HydrophobicContact CZ-CG 3.84Å; F371-F418 AromaticContact CD1-CD2 3.8Å; F371-F418 HydrophobicContact CD1-CD2 3.8Å; F371-F418 AromaticContact CD1-CE2 3.86Å; F371-F418 HydrophobicContact CD1-CE2 3.86Å; F371-F418 AromaticContact CE1-CD2 3.46Å; F371-F418 HydrophobicContact CE1-CD2 3.46Å; F371-F418 VanDerWaalsContact CE1-CD2 3.46Å; F371-F418 AromaticContact CE1-CE2 3.76Å; F371-F418 HydrophobicContact CE1-CE2 3.76Å; F371-F418 HydrophobicContact CE1-CG 4.18Å |
| 372 | E | 91.4 | Very high | 91.4 | Very high | 111 Ų | 111 | 34.1 Ų | 34.1 | 52% | 0.519 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -58.5 | -44.7 | 172.4 | -172.4 | -177.5 | -152.8 | 0 | 0 | 111.7 | F368 R370 Q374 N375 | F368-E372 WeakPolarHBondContact O-CB 3.37Å; F368-E372 PolarHBondContact O-N 2.86Å; R370-E372 PolarHBondContact O-N 3.15Å; E372-Q374 PolarHBondContact O-N 3.22Å; E372-N375 PolarHBondContact O-N 2.94Å |
| 373 | Q | 91.5 | Very high | 91 | Very high | 128 Ų | 128 | 34.2 Ų | 34.2 | 60% | 0.598 | 16% | 0.161 | S | C | * | . | H | α-helix | trans | -63.6 | -23.6 | 178.5 | -74.7 | 166.2 | 25.5 | 0 | 0 | 114.5 | R369 R370 F371 | R369-Q373 VanDerWaalsContact O-CD 3.22Å; R369-Q373 WeakPolarHBondContact O-CG 3.29Å; R369-Q373 PolarHBondContact O-N 3.17Å; R369-Q373 PolarHBondContact O-NE2 3.32Å; R370-Q373 WeakPolarHBondContact O-CB 3.23Å; R370-Q373 PolarHBondContact O-N 2.98Å; R370-Q373 VanDerWaalsContact O-N 3.17Å; F371-Q373 PolarHBondContact O-N 3.18Å |
| 374 | Q | 89.7 | Confident | 90.7 | Very high | 63 Ų | 63 | 34 Ų | 34 | 29% | 0.294 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | 3 | 173.7 | -57.3 | -57.4 | -24 | 0 | 0 | 113.3 | L340 R370 F371 E372 G376 | L340-Q374 HydrophobicContact CD1-CB 3.52Å; L340-Q374 HydrophobicContact CD1-CG 4.04Å; R370-Q374 WeakPolarHBondContact O-CG 3.47Å; R370-Q374 PolarHBondContact O-N 3.44Å; R370-Q374 VanDerWaalsContact O-N 3.12Å; F371-Q374 PolarHBondContact O-N 3.26Å; E372-Q374 PolarHBondContact O-N 3.22Å; Q374-G376 VanDerWaalsContact C-N 3.33Å |
| 375 | N | 89.3 | Confident | 90 | Very high | 89 Ų | 89 | 36.1 Ų | 36.1 | 48% | 0.476 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58 | 39 | -168.7 | -51.7 | -72.7 | 0 | 0 | 0 | 113.4 | F371 E372 L377 V378 | F371-N375 PolarHBondContact O-N 3.02Å; E372-N375 PolarHBondContact O-N 2.94Å; N375-L377 PolarHBondContact O-N 3.08Å; N375-V378 HydrophobicContact CB-CG2 4.37Å; N375-V378 PolarHBondContact O-N 3.23Å |
| 376 | G | 90.8 | Very high | 88.8 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -52 | -29.7 | -171.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | F371 Q374 V378 Y379 L380 | F371-G376 VanDerWaalsContact CE1-C 3.49Å; F371-G376 VanDerWaalsContact CZ-CA 3.45Å; F371-G376 WeakPolarHBondContact CZ-O 3.38Å; F371-G376 PolarHBondContact O-N 3.44Å; Q374-G376 VanDerWaalsContact C-N 3.33Å; G376-V378 PolarHBondContact O-N 3.33Å; G376-Y379 WeakPolarHBondContact O-CB 3.28Å; G376-Y379 PolarHBondContact O-N 2.87Å; G376-L380 PolarHBondContact O-N 2.87Å |
| 377 | L | 92 | Very high | 87.4 | Confident | 4 Ų | 4 | 39.1 Ų | 39.1 | 2% | 0.021 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -54.3 | -34.2 | 174.7 | 179.1 | 64 | 0 | 0 | 0 | 113.1 | N375 Y379 L380 Y381 I415 F418 Q482 L483 | N375-L377 PolarHBondContact O-N 3.08Å; L377-Y379 VanDerWaalsContact C-N 3.32Å; L377-Y379 PolarHBondContact O-N 3.09Å; L377-L380 PolarHBondContact O-N 3.08Å; L377-Y381 PolarHBondContact O-N 2.67Å; L377-I415 HydrophobicContact CD1-CG2 4.5Å; L377-F418 HydrophobicContact CB-CD1 4.46Å; L377-F418 HydrophobicContact CB-CE1 4.05Å; L377-F418 HydrophobicContact CB-CZ 4.33Å; L377-F418 HydrophobicContact CD1-CD1 3.8Å; L377-F418 HydrophobicContact CD1-CE1 4.02Å; L377-F418 HydrophobicContact CD2-CE1 3.9Å; L377-F418 HydrophobicContact CG-CD1 4.47Å; L377-F418 HydrophobicContact CG-CE1 4.21Å; L377-Q482 HydrophobicContact CD2-CB 3.76Å; L377-L483 HydrophobicContact CD1-CD1 4.32Å; L377-L483 HydrophobicContact CD2-CB 4.32Å |
| 378 | V | 91.5 | Very high | 85.5 | Confident | 24 Ų | 24 | 41.1 Ų | 41.1 | 15% | 0.145 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -67.5 | -34.9 | 178.4 | -177.9 | 0 | 0 | 0 | 0 | 111.1 | N375 G376 Y381 N382 | N375-V378 HydrophobicContact CB-CG2 4.37Å; N375-V378 PolarHBondContact O-N 3.23Å; G376-V378 PolarHBondContact O-N 3.33Å; V378-Y381 PolarHBondContact O-N 3.05Å; V378-N382 WeakPolarHBondContact O-CB 3.48Å; V378-N382 PolarHBondContact O-N 3.17Å; V378-N382 PolarHBondContact O-OD1 2.86Å |
| 379 | Y | 91.3 | Very high | 83.3 | Confident | 34 Ų | 34 | 44.6 Ų | 44.6 | 13% | 0.133 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -69.1 | -42.2 | 176.5 | -64.6 | -102.8 | 0 | 0 | 0 | 110.9 | L340 E344 G376 L377 Y381 N382 A383 | L340-Y379 HydrophobicContact CB-CD1 4.13Å; L340-Y379 HydrophobicContact CB-CE1 4.24Å; L340-Y379 HydrophobicContact CB-CG 4.36Å; L340-Y379 HydrophobicContact CD1-CD2 4.44Å; L340-Y379 HydrophobicContact CD1-CE2 4.36Å; L340-Y379 HydrophobicContact CD2-CD1 4.38Å; L340-Y379 HydrophobicContact CD2-CD2 3.91Å; L340-Y379 HydrophobicContact CD2-CG 3.79Å; E344-Y379 HydrophobicContact CG-CD1 3.85Å; E344-Y379 HydrophobicContact CG-CE1 4.23Å; G376-Y379 WeakPolarHBondContact O-CB 3.28Å; G376-Y379 PolarHBondContact O-N 2.87Å; L377-Y379 VanDerWaalsContact C-N 3.32Å; L377-Y379 PolarHBondContact O-N 3.09Å; Y379-Y381 VanDerWaalsContact C-N 3.34Å; Y379-Y381 PolarHBondContact O-N 3.33Å; Y379-N382 PolarHBondContact O-N 2.66Å; Y379-A383 PolarHBondContact O-N 3.03Å |
| 380 | L | 92.3 | Very high | 81.4 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63 | -39.7 | 174.9 | -57.4 | -177.7 | 0 | 0 | 0 | 112.3 | L355 L358 F371 G376 L377 A383 I384 A414 I415 | L355-L380 HydrophobicContact CD2-CD2 3.43Å; L355-L380 VanDerWaalsContact CD2-CD2 3.43Å; L358-L380 HydrophobicContact CD1-CD2 4.08Å; F371-L380 HydrophobicContact CE1-CD1 4.41Å; F371-L380 HydrophobicContact CE2-CD1 4.48Å; F371-L380 HydrophobicContact CE2-CG 4.43Å; F371-L380 HydrophobicContact CZ-CD1 3.63Å; F371-L380 HydrophobicContact CZ-CD2 4.42Å; F371-L380 HydrophobicContact CZ-CG 3.84Å; G376-L380 PolarHBondContact O-N 2.87Å; L377-L380 PolarHBondContact O-N 3.08Å; L380-A383 WeakPolarHBondContact O-CB 3.44Å; L380-A383 PolarHBondContact O-N 3.1Å; L380-I384 PolarHBondContact O-N 3.05Å; L380-A414 HydrophobicContact CD1-CB 3.87Å; L380-A414 HydrophobicContact CD2-CB 3.73Å; L380-A414 HydrophobicContact CG-CB 4.41Å; L380-I415 HydrophobicContact CB-CD1 4.1Å; L380-I415 HydrophobicContact CB-CG1 3.58Å; L380-I415 HydrophobicContact CD1-CG1 3.96Å; L380-I415 HydrophobicContact CG-CG1 4.43Å |
| 381 | Y | 90 | Very high | 79.4 | Confident | 24 Ų | 24 | 44.6 Ų | 44.6 | 9% | 0.094 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -66.3 | -44.4 | 174.7 | 176.4 | -99.3 | 0 | 0 | 0 | 112.1 | L377 V378 Y379 A383 I384 C385 L483 C486 G487 A488 V491 | L377-Y381 PolarHBondContact O-N 2.67Å; V378-Y381 PolarHBondContact O-N 3.05Å; Y379-Y381 VanDerWaalsContact C-N 3.34Å; Y379-Y381 PolarHBondContact O-N 3.33Å; Y381-A383 VanDerWaalsContact C-N 3.27Å; Y381-A383 PolarHBondContact O-N 2.77Å; Y381-I384 PolarHBondContact O-N 3.2Å; Y381-C385 WeakPolarHBondContact CE1-SG 3.38Å; Y381-C385 PolarHBondContact O-N 2.7Å; Y381-C385 PolarHBondContact O-SG 3.49Å; Y381-L483 HydrophobicContact CD2-CD1 4.23Å; Y381-C486 HydrophobicContact CD1-CB 3.53Å; Y381-C486 HydrophobicContact CD2-CB 4.12Å; Y381-C486 HydrophobicContact CE1-CB 3.64Å; Y381-C486 VanDerWaalsContact CE1-O 3.23Å; Y381-C486 WeakPolarHBondContact CE1-O 3.37Å; Y381-C486 HydrophobicContact CE2-CB 4.26Å; Y381-C486 HydrophobicContact CG-CB 3.75Å; Y381-C486 VanDerWaalsContact CZ-O 3.24Å; Y381-C486 PolarHBondContact OH-O 2.82Å; Y381-G487 WeakPolarHBondContact OH-CA 3.49Å; Y381-A488 HydrophobicContact CD2-CB 4.07Å; Y381-A488 HydrophobicContact CE2-CB 3.81Å; Y381-V491 HydrophobicContact CE2-CG2 4.21Å |
| 382 | N | 87.7 | Confident | 77.2 | Confident | 43 Ų | 43 | 49.2 Ų | 49.2 | 23% | 0.23 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.9 | -38.3 | 175.7 | -73.3 | -2.2 | 0 | 0 | 0 | 111.1 | V378 Y379 I384 C385 V386 | V378-N382 WeakPolarHBondContact O-CB 3.48Å; V378-N382 PolarHBondContact O-N 3.17Å; V378-N382 PolarHBondContact O-OD1 2.86Å; Y379-N382 PolarHBondContact O-N 2.66Å; N382-I384 VanDerWaalsContact C-N 3.33Å; N382-I384 PolarHBondContact O-N 2.88Å; N382-C385 CarbonylContact O-C 3.57Å; N382-C385 PolarHBondContact O-N 2.87Å; N382-V386 WeakPolarHBondContact O-CB 3.39Å; N382-V386 VanDerWaalsContact O-CG2 3.27Å; N382-V386 WeakPolarHBondContact O-CG2 3.45Å; N382-V386 PolarHBondContact O-N 3.07Å |
| 383 | A | 85.9 | Confident | 74.9 | Confident | 2 Ų | 2 | 48.8 Ų | 48.8 | 2% | 0.017 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -55.9 | -46 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | V343 L355 Y379 L380 Y381 C385 V386 L387 | V343-A383 HydrophobicContact CG1-CB 3.75Å; L355-A383 HydrophobicContact CD1-CB 4.28Å; L355-A383 HydrophobicContact CD2-CB 4.33Å; Y379-A383 PolarHBondContact O-N 3.03Å; L380-A383 WeakPolarHBondContact O-CB 3.44Å; L380-A383 PolarHBondContact O-N 3.1Å; Y381-A383 VanDerWaalsContact C-N 3.27Å; Y381-A383 PolarHBondContact O-N 2.77Å; A383-C385 VanDerWaalsContact C-N 3.31Å; A383-C385 PolarHBondContact O-N 3.07Å; A383-V386 PolarHBondContact O-N 2.71Å; A383-L387 VanDerWaalsContact O-CD1 3.24Å; A383-L387 WeakPolarHBondContact O-CD1 3.4Å; A383-L387 VanDerWaalsContact O-CG 3.25Å; A383-L387 WeakPolarHBondContact O-CG 3.45Å; A383-L387 PolarHBondContact O-N 2.73Å |
| 384 | I | 84.3 | Confident | 72.7 | Confident | 13 Ų | 13 | 47.7 Ų | 47.7 | 7% | 0.067 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.2 | -38.2 | 174.5 | -59 | -177.8 | 0 | 0 | 0 | 111.5 | L380 Y381 N382 L412 I415 V491 I495 | L380-I384 PolarHBondContact O-N 3.05Å; Y381-I384 PolarHBondContact O-N 3.2Å; N382-I384 VanDerWaalsContact C-N 3.33Å; N382-I384 PolarHBondContact O-N 2.88Å; I384-L412 HydrophobicContact CD1-CD2 3.89Å; I384-L412 HydrophobicContact CD1-CG 4.33Å; I384-I415 HydrophobicContact CD1-CD1 3.59Å; I384-V491 HydrophobicContact CG2-CG1 3.58Å; I384-I495 HydrophobicContact CG2-CD1 3.69Å |
| 385 | C | 77.4 | Confident | 70.6 | Confident | 49 Ų | 49 | 50.5 Ų | 50.5 | 33% | 0.331 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -83.9 | -13.9 | -175.5 | -58.7 | 0 | 0 | 0 | 0 | 115.1 | Y381 N382 A383 | Y381-C385 WeakPolarHBondContact CE1-SG 3.38Å; Y381-C385 PolarHBondContact O-N 2.7Å; Y381-C385 PolarHBondContact O-SG 3.49Å; N382-C385 CarbonylContact O-C 3.57Å; N382-C385 PolarHBondContact O-N 2.87Å; A383-C385 VanDerWaalsContact C-N 3.31Å; A383-C385 PolarHBondContact O-N 3.07Å |
| 386 | V | 66.9 | Low | 68.4 | Low | 82 Ų | 82 | 51.8 Ų | 51.8 | 50% | 0.497 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -97.4 | -9.4 | 177.2 | 172.1 | 0 | 0 | 0 | 0 | 111.2 | N382 A383 L580 | N382-V386 WeakPolarHBondContact O-CB 3.39Å; N382-V386 VanDerWaalsContact O-CG2 3.27Å; N382-V386 WeakPolarHBondContact O-CG2 3.45Å; N382-V386 PolarHBondContact O-N 3.07Å; A383-V386 PolarHBondContact O-N 2.71Å; V386-L580 HydrophobicContact CG2-CD1 4.11Å |
| 387 | L | 61.5 | Low | 66.1 | Low | 11 Ų | 11 | 57.4 Ų | 57.4 | 6% | 0.058 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -79.4 | 159.5 | 165 | -66.9 | 160.8 | 0 | 0 | 0 | 109.9 | A383 V407 V408 | A383-L387 VanDerWaalsContact O-CD1 3.24Å; A383-L387 WeakPolarHBondContact O-CD1 3.4Å; A383-L387 VanDerWaalsContact O-CG 3.25Å; A383-L387 WeakPolarHBondContact O-CG 3.45Å; A383-L387 PolarHBondContact O-N 2.73Å; L387-V407 HydrophobicContact CD1-CB 3.54Å; L387-V407 HydrophobicContact CD1-CG1 3.65Å; L387-V407 HydrophobicContact CD2-CB 3.71Å; L387-V407 HydrophobicContact CD2-CG1 4.08Å; L387-V407 HydrophobicContact CD2-CG2 4.12Å; L387-V407 HydrophobicContact CG-CB 4.23Å; L387-V407 HydrophobicContact CG-CG1 4.32Å; L387-V408 HydrophobicContact CB-CG2 4.22Å; L387-V408 HydrophobicContact CD1-CB 4.47Å; L387-V408 HydrophobicContact CD1-CG2 3.68Å |
| 388 | P | 50.8 | Low | 63.9 | Low | 43 Ų | 43 | 60 Ų | 60 | 28% | 0.279 | 33% | 0.332 | S | S | . | . | trans | -53.1 | 136.6 | -146.2 | -34.1 | 37.3 | 0 | 0 | 0 | 116.9 | R390 L391 | P388-R390 HydrophobicContact CB-CB 3.81Å; P388-R390 HydrophobicContact CB-CG 3.97Å; P388-R390 PolarHBondContact O-N 2.75Å; P388-L391 PolarHBondContact O-N 3.45Å | ||
| 389 | L | 47.9 | Very low | 61.7 | Low | 80 Ų | 80 | 64 Ų | 64 | 42% | 0.419 | 35% | 0.352 | S | S | . | . | G | 310 helix | trans | -63.6 | 5.9 | 162.1 | -71.9 | 161.8 | 0 | 0 | 0 | 112.9 | L391 T392 L599 V602 | L389-L391 PolarHBondContact O-N 3.07Å; L389-T392 PolarHBondContact O-OG1 2.85Å; L389-L599 HydrophobicContact CD1-CD2 4.43Å; L389-L599 HydrophobicContact CD2-CD2 3.57Å; L389-V602 HydrophobicContact CD1-CB 4.11Å; L389-V602 HydrophobicContact CD1-CG1 3.85Å; L389-V602 HydrophobicContact CD1-CG2 4.28Å |
| 390 | R | 50.7 | Low | 59.8 | Low | 94 Ų | 94 | 69 Ų | 69 | 36% | 0.355 | 37% | 0.374 | S | S | . | . | G | 310 helix | trans | -71.8 | 3.2 | 167.7 | -66.1 | 177.9 | 175.4 | 152.2 | -0.3 | 114.8 | P388 T392 E393 D401 | P388-R390 HydrophobicContact CB-CB 3.81Å; P388-R390 HydrophobicContact CB-CG 3.97Å; P388-R390 PolarHBondContact O-N 2.75Å; R390-T392 PolarHBondContact O-N 3.39Å; R390-T392 VanDerWaalsContact O-N 3.09Å; R390-E393 HydrophobicContact CG-CB 4.45Å; R390-E393 WeakPolarHBondContact CG-OE2 3.45Å; R390-E393 PolarHBondContact O-N 2.89Å; R390-D401 IonicContact CZ-OD2 3.17Å; R390-D401 IonicContact NH1-OD2 2.77Å; R390-D401 PolarHBondContact NH1-OD2 2.81Å |
| 391 | L | 50.8 | Low | 58.2 | Low | 42 Ų | 42 | 71.2 Ų | 71.2 | 22% | 0.22 | 39% | 0.386 | C | S | . | . | G | 310 helix | trans | -65 | -0.5 | 163.8 | -70.6 | 177.8 | 0 | 0 | 0 | 113.2 | P388 L389 R494 I495 R498 | P388-L391 PolarHBondContact O-N 3.45Å; L389-L391 PolarHBondContact O-N 3.07Å; L391-R494 HydrophobicContact CD1-CB 4.2Å; L391-I495 HydrophobicContact CD1-CG1 4.46Å; L391-R498 HydrophobicContact CD2-CB 3.81Å; L391-R498 HydrophobicContact CD2-CG 3.97Å |
| 392 | T | 47.1 | Very low | 57 | Low | 97 Ų | 97 | 72.4 Ų | 72.4 | 60% | 0.595 | 40% | 0.396 | S | S | * | . | G | 310 helix | trans | -136.7 | 11.5 | 178.2 | 43 | 0 | 0 | 0 | 0 | 113.8 | L389 R390 | L389-T392 PolarHBondContact O-OG1 2.85Å; R390-T392 PolarHBondContact O-N 3.39Å; R390-T392 VanDerWaalsContact O-N 3.09Å |
| 393 | E | 44.4 | Very low | 56 | Low | 103 Ų | 103 | 72.8 Ų | 72.8 | 48% | 0.481 | 40% | 0.4 | S | S | . | . | trans | -116 | 124.3 | -179.9 | -65.4 | -174.5 | 163.3 | 0 | 0 | 110.9 | R390 R498 | R390-E393 HydrophobicContact CG-CB 4.45Å; R390-E393 WeakPolarHBondContact CG-OE2 3.45Å; R390-E393 PolarHBondContact O-N 2.89Å; E393-R498 PolarHBondContact O-NH2 3.02Å | ||
| 394 | D | 45 | Very low | 55.3 | Low | 105 Ų | 105 | 73.2 Ų | 73.2 | 56% | 0.561 | 40% | 0.403 | S | S | * | . | trans | -100.8 | 11.1 | -177.1 | -62.4 | -43.5 | 0 | 0 | 0 | 113.5 | P396 R498 | D394-P396 VanDerWaalsContact O-CD 3.31Å; D394-P396 WeakPolarHBondContact O-CD 2.99Å; D394-R498 IonicContact OD1-CZ 2.68Å; D394-R498 IonicContact OD1-NH1 2.65Å; D394-R498 PolarHBondContact OD1-NH1 3.07Å; D394-R498 IonicContact OD1-NH2 2.69Å | ||
| 395 | N | 44.4 | Very low | 54.9 | Low | 121 Ų | 121 | 74 Ų | 74 | 65% | 0.647 | 41% | 0.405 | S | S | * | . | trans | -74.2 | 116.2 | 175.3 | -90.7 | -31.3 | 0 | 0 | 0 | 111 | T397 | N395-T397 PolarHBondContact O-N 3.5Š| ||
| 396 | P | 43.8 | Very low | 55 | Low | 117 Ų | 117 | 74 Ų | 74 | 76% | 0.76 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -3.7 | -178.6 | 33.5 | -37 | 0 | 0 | 0 | 113.5 | D394 T398 | D394-P396 VanDerWaalsContact O-CD 3.31Å; D394-P396 WeakPolarHBondContact O-CD 2.99Å; P396-T398 PolarHBondContact O-N 3.25Å; P396-T398 VanDerWaalsContact O-N 3.15Å |
| 397 | T | 43.2 | Very low | 55.8 | Low | 117 Ų | 117 | 70.2 Ų | 70.2 | 72% | 0.718 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | 0.3 | -169.9 | 50.7 | 0 | 0 | 0 | 0 | 115 | N395 | N395-T397 PolarHBondContact O-N 3.5Š|
| 398 | T | 44.2 | Very low | 57 | Low | 58 Ų | 58 | 70.2 Ų | 70.2 | 36% | 0.356 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -105.6 | 110 | 178.1 | 58.4 | 0 | 0 | 0 | 0 | 110.8 | P396 | P396-T398 PolarHBondContact O-N 3.25Å; P396-T398 VanDerWaalsContact O-N 3.15Å |
| 399 | L | 46.6 | Very low | 58.7 | Low | 110 Ų | 110 | 69.2 Ų | 69.2 | 58% | 0.576 | 37% | 0.368 | S | S | * | . | trans | -41.6 | 138 | -172.4 | -119.4 | 70.5 | 0 | 0 | 0 | 114.9 | R62 D401 | R62-L399 HydrophobicContact CB-CD2 4.13Å; R62-L399 HydrophobicContact CG-CD2 4.14Å; L399-D401 PolarHBondContact O-N 2.79Å | ||
| 400 | K | 51.6 | Low | 60.7 | Low | 137 Ų | 137 | 65.4 Ų | 65.4 | 60% | 0.596 | 35% | 0.348 | S | S | * | . | trans | -18.2 | 90.5 | 175.9 | -68.8 | 177.7 | 177.8 | 174 | 0 | 113.2 | T402 D1600 | K400-T402 HydrophobicContact CB-CG2 4.36Å; K400-T402 PolarHBondContact O-N 2.83Å; K400-D1600 IonicContact NZ-OD1 2.69Å; K400-D1600 PolarHBondContact NZ-OD1 2.99Å; K400-D1600 IonicContact NZ-OD2 3.23Å; K400-D1600 PolarHBondContact NZ-OD2 3.17Å | ||
| 401 | D | 58.3 | Low | 62.7 | Low | 48 Ų | 48 | 60.9 Ų | 60.9 | 26% | 0.257 | 33% | 0.331 | S | S | . | . | trans | -80.9 | 42.5 | -168.3 | -148.8 | -7.3 | 0 | 0 | 0 | 112.7 | R390 L399 T403 S404 | R390-D401 IonicContact CZ-OD2 3.17Å; R390-D401 IonicContact NH1-OD2 2.77Å; R390-D401 PolarHBondContact NH1-OD2 2.81Å; L399-D401 PolarHBondContact O-N 2.79Å; D401-T403 PolarHBondContact O-N 3.44Å; D401-S404 WeakPolarHBondContact O-CB 3.23Å; D401-S404 PolarHBondContact O-N 2.96Å; D401-S404 VanDerWaalsContact O-N 3.14Å; D401-S404 PolarHBondContact O-OG 2.99Å | ||
| 402 | T | 64.4 | Low | 64.7 | Low | 49 Ų | 49 | 58.9 Ų | 58.9 | 30% | 0.301 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -60.4 | -39.3 | -165.8 | 53.9 | 0 | 0 | 0 | 0 | 113.7 | K400 S404 W405 H406 P507 | K400-T402 HydrophobicContact CB-CG2 4.36Å; K400-T402 PolarHBondContact O-N 2.83Å; T402-S404 PolarHBondContact O-N 2.74Å; T402-W405 PolarHBondContact O-N 3.41Å; T402-W405 VanDerWaalsContact O-N 3.15Å; T402-H406 PolarHBondContact O-N 2.86Å; T402-H406 VanDerWaalsContact O-N 3.13Å; T402-P507 HydrophobicContact CG2-CG 4.04Å |
| 403 | T | 65.9 | Low | 66.9 | Low | 51 Ų | 51 | 55 Ų | 55 | 31% | 0.313 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -59.8 | -36.1 | 178.7 | 57.5 | 0 | 0 | 0 | 0 | 111.4 | D401 W405 H406 V407 | D401-T403 PolarHBondContact O-N 3.44Å; T403-W405 PolarHBondContact O-N 3.27Å; T403-H406 PolarHBondContact O-N 3.24Å; T403-V407 WeakPolarHBondContact O-CG2 3.17Å; T403-V407 PolarHBondContact O-N 3.02Å; T403-V407 VanDerWaalsContact O-N 3.16Å |
| 404 | S | 71.6 | Confident | 69.3 | Low | 11 Ų | 11 | 50 Ų | 50 | 8% | 0.077 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.4 | -42.6 | 177.4 | 79 | 0 | 0 | 0 | 0 | 112 | D401 T402 H406 V407 V408 | D401-S404 WeakPolarHBondContact O-CB 3.23Å; D401-S404 PolarHBondContact O-N 2.96Å; D401-S404 VanDerWaalsContact O-N 3.14Å; D401-S404 PolarHBondContact O-OG 2.99Å; T402-S404 PolarHBondContact O-N 2.74Å; S404-H406 VanDerWaalsContact C-N 3.35Å; S404-H406 PolarHBondContact O-N 3.47Å; S404-V407 PolarHBondContact O-N 2.96Å; S404-V408 PolarHBondContact O-N 3.37Å |
| 405 | W | 76.7 | Confident | 71.7 | Confident | 30 Ų | 30 | 45.2 Ų | 45.2 | 11% | 0.114 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -66.4 | -33.3 | 175.8 | -75.6 | 108.2 | 0 | 0 | 0 | 112.7 | T402 T403 V407 V408 R409 I495 R498 N499 W506 | T402-W405 PolarHBondContact O-N 3.41Å; T402-W405 VanDerWaalsContact O-N 3.15Å; T403-W405 PolarHBondContact O-N 3.27Å; W405-V407 VanDerWaalsContact C-N 3.35Å; W405-V408 HydrophobicContact CE3-CB 4.3Å; W405-V408 HydrophobicContact CE3-CG1 4.34Å; W405-V408 HydrophobicContact CE3-CG2 4.45Å; W405-V408 HydrophobicContact CZ3-CG1 4.45Å; W405-V408 WeakPolarHBondContact O-CB 3.21Å; W405-V408 PolarHBondContact O-N 3.44Å; W405-R409 PolarHBondContact O-N 3.12Å; W405-I495 HydrophobicContact CZ3-CG2 4.37Å; W405-R498 HydrophobicContact CH2-CG 4.42Å; W405-R498 HydrophobicContact CZ2-CG 4.34Å; W405-N499 VanDerWaalsContact CH2-OD1 3.26Å; W405-N499 WeakPolarHBondContact CH2-OD1 3.34Å; W405-N499 WeakPolarHBondContact CZ3-OD1 3.19Å; W405-W506 AromaticContact CD2-CD1 3.97Å; W405-W506 AromaticContact CD2-NE1 3.77Å; W405-W506 AromaticContact CE2-CD1 3.99Å; W405-W506 AromaticContact CE2-CE2 3.57Å; W405-W506 AromaticContact CE2-CZ2 3.91Å; W405-W506 AromaticContact CE2-NE1 3.56Å; W405-W506 AromaticContact CE3-NE1 3.99Å; W405-W506 AromaticContact CH2-CE2 3.92Å; W405-W506 AromaticContact CH2-CZ2 3.68Å; W405-W506 HydrophobicContact CH2-CZ2 3.68Å; W405-W506 AromaticContact CH2-NE1 3.85Å; W405-W506 HydrophobicContact CZ2-CD2 4.2Å; W405-W506 AromaticContact CZ2-CE2 3.39Å; W405-W506 AromaticContact CZ2-CH2 3.93Å; W405-W506 HydrophobicContact CZ2-CH2 3.93Å; W405-W506 AromaticContact CZ2-CZ2 3.24Å; W405-W506 HydrophobicContact CZ2-CZ2 3.24Å; W405-W506 AromaticContact CZ2-NE1 3.63Å; W405-W506 AromaticContact NE1-CD2 3.85Å; W405-W506 AromaticContact NE1-CE2 3.91Å |
| 406 | H | 80 | Confident | 74.1 | Confident | 49 Ų | 49 | 42.3 Ų | 42.3 | 23% | 0.227 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.3 | -37.8 | 172.1 | -67.5 | 179.6 | 0 | 0 | 0 | 112.1 | T402 T403 S404 R409 A410 | T402-H406 PolarHBondContact O-N 2.86Å; T402-H406 VanDerWaalsContact O-N 3.13Å; T403-H406 PolarHBondContact O-N 3.24Å; S404-H406 VanDerWaalsContact C-N 3.35Å; S404-H406 PolarHBondContact O-N 3.47Å; H406-R409 PolarHBondContact O-N 2.9Å; H406-A410 WeakPolarHBondContact O-CB 3.28Å; H406-A410 PolarHBondContact O-N 3.46Å |
| 407 | V | 83.4 | Confident | 76.5 | Confident | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.006 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -70 | -33.6 | 172.6 | -161.8 | 0 | 0 | 0 | 0 | 111.7 | P348 R351 C352 L355 L387 T403 S404 W405 S411 | P348-V407 HydrophobicContact CB-CG2 3.99Å; P348-V407 WeakPolarHBondContact O-CG2 3.44Å; R351-V407 HydrophobicContact CB-CG1 3.76Å; C352-V407 HydrophobicContact CB-CG2 4.05Å; L355-V407 HydrophobicContact CD1-CG1 3.49Å; L355-V407 VanDerWaalsContact CD1-CG1 3.49Å; L387-V407 HydrophobicContact CD1-CB 3.54Å; L387-V407 HydrophobicContact CD1-CG1 3.65Å; L387-V407 HydrophobicContact CD2-CB 3.71Å; L387-V407 HydrophobicContact CD2-CG1 4.08Å; L387-V407 HydrophobicContact CD2-CG2 4.12Å; L387-V407 HydrophobicContact CG-CB 4.23Å; L387-V407 HydrophobicContact CG-CG1 4.32Å; T403-V407 WeakPolarHBondContact O-CG2 3.17Å; T403-V407 PolarHBondContact O-N 3.02Å; T403-V407 VanDerWaalsContact O-N 3.16Å; S404-V407 PolarHBondContact O-N 2.96Å; W405-V407 VanDerWaalsContact C-N 3.35Å; V407-S411 WeakPolarHBondContact O-CB 3.37Å; V407-S411 PolarHBondContact O-N 2.97Å; V407-S411 PolarHBondContact O-OG 2.85Å |
| 408 | V | 85.3 | Confident | 79 | Confident | 12 Ų | 12 | 34 Ų | 34 | 7% | 0.073 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62 | -49.1 | 171.4 | 175.1 | 0 | 0 | 0 | 0 | 110.4 | L387 S404 W405 S411 L412 I495 | L387-V408 HydrophobicContact CB-CG2 4.22Å; L387-V408 HydrophobicContact CD1-CB 4.47Å; L387-V408 HydrophobicContact CD1-CG2 3.68Å; S404-V408 PolarHBondContact O-N 3.37Å; W405-V408 HydrophobicContact CE3-CB 4.3Å; W405-V408 HydrophobicContact CE3-CG1 4.34Å; W405-V408 HydrophobicContact CE3-CG2 4.45Å; W405-V408 HydrophobicContact CZ3-CG1 4.45Å; W405-V408 WeakPolarHBondContact O-CB 3.21Å; W405-V408 PolarHBondContact O-N 3.44Å; V408-S411 WeakPolarHBondContact O-CB 3.42Å; V408-S411 PolarHBondContact O-N 2.92Å; V408-L412 HydrophobicContact CG1-CD1 3.92Å; V408-L412 HydrophobicContact CG1-CG 4.4Å; V408-L412 WeakPolarHBondContact O-CG 3.37Å; V408-L412 PolarHBondContact O-N 3.25Å; V408-I495 HydrophobicContact CG1-CD1 4.2Å |
| 409 | R | 87.7 | Confident | 81.4 | Confident | 21 Ų | 21 | 31.3 Ų | 31.3 | 8% | 0.079 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -57.2 | -52.4 | 176.6 | -171.2 | 175.7 | 102.3 | 110.6 | -16.7 | 111.4 | W405 H406 S411 L412 C413 C508 E511 L515 | W405-R409 PolarHBondContact O-N 3.12Å; H406-R409 PolarHBondContact O-N 2.9Å; R409-S411 VanDerWaalsContact C-N 3.27Å; R409-S411 PolarHBondContact O-N 3.44Å; R409-L412 PolarHBondContact O-N 3.45Å; R409-L412 VanDerWaalsContact O-N 3.17Å; R409-C413 WeakPolarHBondContact O-CB 3.19Å; R409-C413 PolarHBondContact O-N 3.14Å; R409-C413 PolarHBondContact O-SG 3.17Å; R409-C508 WeakPolarHBondContact CD-SG 3.45Å; R409-E511 HydrophobicContact CG-CG 4.33Å; R409-L515 HydrophobicContact CG-CD1 4.23Å |
| 410 | A | 89.9 | Confident | 83.6 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -59.3 | -38.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L355 F356 H406 A414 | L355-A410 HydrophobicContact CB-CB 3.65Å; L355-A410 HydrophobicContact CD1-CB 4.18Å; F356-A410 HydrophobicContact CD1-CB 4.12Å; F356-A410 HydrophobicContact CD2-CB 4.12Å; F356-A410 HydrophobicContact CE1-CB 3.9Å; F356-A410 HydrophobicContact CE2-CB 3.91Å; F356-A410 HydrophobicContact CG-CB 4.22Å; F356-A410 HydrophobicContact CZ-CB 3.79Å; H406-A410 WeakPolarHBondContact O-CB 3.28Å; H406-A410 PolarHBondContact O-N 3.46Å; A410-A414 WeakPolarHBondContact O-CB 3.26Å; A410-A414 PolarHBondContact O-N 3.38Å |
| 411 | S | 91.7 | Very high | 85.7 | Confident | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -65 | -46 | 175 | -58.2 | 0 | 0 | 0 | 0 | 112.4 | L355 V407 V408 R409 A414 I415 | L355-S411 VanDerWaalsContact CD1-OG 3.22Å; L355-S411 WeakPolarHBondContact CD1-OG 3.35Å; V407-S411 WeakPolarHBondContact O-CB 3.37Å; V407-S411 PolarHBondContact O-N 2.97Å; V407-S411 PolarHBondContact O-OG 2.85Å; V408-S411 WeakPolarHBondContact O-CB 3.42Å; V408-S411 PolarHBondContact O-N 2.92Å; R409-S411 VanDerWaalsContact C-N 3.27Å; R409-S411 PolarHBondContact O-N 3.44Å; S411-A414 PolarHBondContact O-N 3.15Å; S411-I415 WeakPolarHBondContact O-CG1 3.37Å; S411-I415 PolarHBondContact O-N 3.46Å |
| 412 | L | 93 | Very high | 87.3 | Confident | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -63.1 | -43.1 | 176.7 | -68.4 | 169.9 | 0 | 0 | 0 | 111.1 | I384 V408 R409 A414 I415 R416 L492 C512 L515 I519 | I384-L412 HydrophobicContact CD1-CD2 3.89Å; I384-L412 HydrophobicContact CD1-CG 4.33Å; V408-L412 HydrophobicContact CG1-CD1 3.92Å; V408-L412 HydrophobicContact CG1-CG 4.4Å; V408-L412 WeakPolarHBondContact O-CG 3.37Å; V408-L412 PolarHBondContact O-N 3.25Å; R409-L412 PolarHBondContact O-N 3.45Å; R409-L412 VanDerWaalsContact O-N 3.17Å; L412-A414 PolarHBondContact O-N 3.09Å; L412-I415 PolarHBondContact O-N 3.1Å; L412-R416 VanDerWaalsContact O-CB 3.31Å; L412-R416 WeakPolarHBondContact O-CB 3.36Å; L412-R416 PolarHBondContact O-N 3.18Å; L412-L492 HydrophobicContact CD2-CD2 3.65Å; L412-C512 HydrophobicContact CD1-CB 4.22Å; L412-L515 HydrophobicContact CB-CB 3.91Å; L412-L515 HydrophobicContact CB-CD1 3.99Å; L412-L515 HydrophobicContact CD1-CB 4.32Å; L412-I519 HydrophobicContact CB-CD1 4.43Å; L412-I519 HydrophobicContact CD2-CD1 3.77Å |
| 413 | C | 93.8 | Very high | 88.6 | Confident | 14 Ų | 14 | 15.8 Ų | 15.8 | 10% | 0.095 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -58.1 | -43.9 | 173.1 | -71.1 | 0 | 0 | 0 | 0 | 112.3 | H359 R409 R417 L515 | H359-C413 VanDerWaalsContact ND1-C 3.31Å; H359-C413 PolarHBondContact ND1-O 3.3Å; R409-C413 WeakPolarHBondContact O-CB 3.19Å; R409-C413 PolarHBondContact O-N 3.14Å; R409-C413 PolarHBondContact O-SG 3.17Å; C413-R417 WeakPolarHBondContact O-CB 3.44Å; C413-R417 PolarHBondContact O-N 3.02Å; C413-L515 VanDerWaalsContact SG-CD1 3.53Å |
| 414 | A | 94.5 | Very high | 89.9 | Confident | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -68.7 | -42.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L355 H359 L380 A410 S411 L412 F418 | L355-A414 HydrophobicContact CD2-CB 4.47Å; H359-A414 HydrophobicContact CB-CB 4.45Å; L380-A414 HydrophobicContact CD1-CB 3.87Å; L380-A414 HydrophobicContact CD2-CB 3.73Å; L380-A414 HydrophobicContact CG-CB 4.41Å; A410-A414 WeakPolarHBondContact O-CB 3.26Å; A410-A414 PolarHBondContact O-N 3.38Å; S411-A414 PolarHBondContact O-N 3.15Å; L412-A414 PolarHBondContact O-N 3.09Å; A414-F418 WeakPolarHBondContact O-CB 3.32Å; A414-F418 PolarHBondContact O-N 2.85Å |
| 415 | I | 95.1 | Very high | 90.8 | Very high | 4 Ų | 4 | 14.7 Ų | 14.7 | 2% | 0.021 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -64.3 | -44.6 | 175.5 | -68 | -179.7 | 0 | 0 | 0 | 110.6 | L377 L380 I384 S411 L412 F418 L419 L483 I519 | L377-I415 HydrophobicContact CD1-CG2 4.5Å; L380-I415 HydrophobicContact CB-CD1 4.1Å; L380-I415 HydrophobicContact CB-CG1 3.58Å; L380-I415 HydrophobicContact CD1-CG1 3.96Å; L380-I415 HydrophobicContact CG-CG1 4.43Å; I384-I415 HydrophobicContact CD1-CD1 3.59Å; S411-I415 WeakPolarHBondContact O-CG1 3.37Å; S411-I415 PolarHBondContact O-N 3.46Å; L412-I415 PolarHBondContact O-N 3.1Å; I415-F418 PolarHBondContact O-N 3.42Å; I415-L419 HydrophobicContact CG2-CD1 4.1Å; I415-L419 HydrophobicContact CG2-CG 4.46Å; I415-L419 WeakPolarHBondContact O-CG 3.24Å; I415-L419 PolarHBondContact O-N 3.49Å; I415-L483 HydrophobicContact CD1-CD1 4.42Å; I415-L483 HydrophobicContact CG2-CD1 4.47Å; I415-L483 HydrophobicContact CG2-CD2 3.94Å; I415-I519 HydrophobicContact CB-CD1 4.17Å; I415-I519 HydrophobicContact CG2-CD1 3.91Å; I415-I519 HydrophobicContact CG2-CG1 4.35Å; I415-I519 HydrophobicContact CG2-CG2 4.47Å |
| 416 | R | 95 | Very high | 91.4 | Very high | 60 Ų | 60 | 15.5 Ų | 15.5 | 23% | 0.226 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -59.6 | -51.9 | 177.3 | -177 | 176.7 | 162.2 | -154.2 | -28.6 | 110.6 | L412 F418 L419 E420 D518 I519 L522 | L412-R416 VanDerWaalsContact O-CB 3.31Å; L412-R416 WeakPolarHBondContact O-CB 3.36Å; L412-R416 PolarHBondContact O-N 3.18Å; R416-F418 VanDerWaalsContact C-N 3.33Å; R416-F418 PolarHBondContact O-N 3.07Å; R416-L419 PolarHBondContact O-N 3.21Å; R416-L419 VanDerWaalsContact O-N 3.09Å; R416-E420 HydrophobicContact CG-CG 4.26Å; R416-E420 IonicContact CZ-OE1 2.69Å; R416-E420 IonicContact NE-OE1 3.46Å; R416-E420 PolarHBondContact NE-OE1 3.03Å; R416-E420 IonicContact NH2-OE1 3.76Å; R416-E420 PolarHBondContact NH2-OE1 3.07Å; R416-E420 WeakPolarHBondContact O-CG 3.29Å; R416-E420 PolarHBondContact O-N 2.77Å; R416-D518 IonicContact CZ-OD2 3.22Å; R416-D518 IonicContact NE-OD2 3.91Å; R416-D518 IonicContact NH1-OD2 2.84Å; R416-D518 PolarHBondContact NH1-OD2 3.43Å; R416-I519 HydrophobicContact CB-CD1 4.47Å; R416-I519 HydrophobicContact CB-CG1 4.17Å; R416-L522 HydrophobicContact CG-CD1 4.29Å |
| 417 | R | 94.4 | Very high | 91.9 | Very high | 55 Ų | 55 | 13.2 Ų | 13.2 | 21% | 0.208 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -58.1 | -43.8 | 177.1 | -173.5 | 76.8 | 75 | -177.4 | 2.7 | 111.9 | H359 L362 C413 L419 E420 I421 Y455 | H359-R417 PolarHBondContact CE1-NE 3.2Å; H359-R417 PolarHBondContact CE1-NH2 2.9Å; H359-R417 PolarHBondContact NE2-NE 2.97Å; H359-R417 PolarHBondContact NE2-NH2 3.43Å; H359-R417 WeakPolarHBondContact O-CG 3.49Å; L362-R417 HydrophobicContact CB-CG 4.06Å; C413-R417 WeakPolarHBondContact O-CB 3.44Å; C413-R417 PolarHBondContact O-N 3.02Å; R417-L419 VanDerWaalsContact C-N 3.31Å; R417-L419 PolarHBondContact O-N 2.82Å; R417-E420 PolarHBondContact O-N 2.9Å; R417-I421 HydrophobicContact CG-CG1 4.2Å; R417-I421 WeakPolarHBondContact O-CG1 3.5Å; R417-I421 PolarHBondContact O-N 3.3Å; R417-Y455 PolarHBondContact NH1-OH 3.2Å |
| 418 | F | 95.4 | Very high | 91.9 | Very high | 5 Ų | 5 | 15.1 Ų | 15.1 | 2% | 0.022 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -57 | -44 | 175.8 | 174.4 | -98.2 | 0 | 0 | 0 | 111.9 | L362 F368 F371 L377 A414 I415 R416 S422 P479 | L362-F418 HydrophobicContact CD1-CB 4.04Å; L362-F418 HydrophobicContact CD2-CD2 4.3Å; F368-F418 HydrophobicContact CD2-CD2 4.43Å; F368-F418 AromaticContact CE2-CD2 3.7Å; F368-F418 HydrophobicContact CE2-CD2 3.7Å; F368-F418 AromaticContact CE2-CE2 3.78Å; F368-F418 HydrophobicContact CE2-CE2 3.78Å; F368-F418 HydrophobicContact CZ-CD2 4.27Å; F368-F418 AromaticContact CZ-CE2 3.87Å; F368-F418 HydrophobicContact CZ-CE2 3.87Å; F371-F418 AromaticContact CD1-CD2 3.8Å; F371-F418 HydrophobicContact CD1-CD2 3.8Å; F371-F418 AromaticContact CD1-CE2 3.86Å; F371-F418 HydrophobicContact CD1-CE2 3.86Å; F371-F418 AromaticContact CE1-CD2 3.46Å; F371-F418 HydrophobicContact CE1-CD2 3.46Å; F371-F418 VanDerWaalsContact CE1-CD2 3.46Å; F371-F418 AromaticContact CE1-CE2 3.76Å; F371-F418 HydrophobicContact CE1-CE2 3.76Å; F371-F418 HydrophobicContact CE1-CG 4.18Å; L377-F418 HydrophobicContact CB-CD1 4.46Å; L377-F418 HydrophobicContact CB-CE1 4.05Å; L377-F418 HydrophobicContact CB-CZ 4.33Å; L377-F418 HydrophobicContact CD1-CD1 3.8Å; L377-F418 HydrophobicContact CD1-CE1 4.02Å; L377-F418 HydrophobicContact CD2-CE1 3.9Å; L377-F418 HydrophobicContact CG-CD1 4.47Å; L377-F418 HydrophobicContact CG-CE1 4.21Å; A414-F418 WeakPolarHBondContact O-CB 3.32Å; A414-F418 PolarHBondContact O-N 2.85Å; I415-F418 PolarHBondContact O-N 3.42Å; R416-F418 VanDerWaalsContact C-N 3.33Å; R416-F418 PolarHBondContact O-N 3.07Å; F418-S422 WeakPolarHBondContact O-CB 3.31Å; F418-S422 PolarHBondContact O-N 3.44Å; F418-S422 PolarHBondContact O-OG 3.38Å; F418-P479 HydrophobicContact CE1-CB 4.08Å |
| 419 | L | 94.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -68.2 | -42.3 | 176.9 | -70.2 | 175.2 | 0 | 0 | 0 | 112.4 | I415 R416 R417 S422 L423 W477 P479 T480 L483 I519 L522 | I415-L419 HydrophobicContact CG2-CD1 4.1Å; I415-L419 HydrophobicContact CG2-CG 4.46Å; I415-L419 WeakPolarHBondContact O-CG 3.24Å; I415-L419 PolarHBondContact O-N 3.49Å; R416-L419 PolarHBondContact O-N 3.21Å; R416-L419 VanDerWaalsContact O-N 3.09Å; R417-L419 VanDerWaalsContact C-N 3.31Å; R417-L419 PolarHBondContact O-N 2.82Å; L419-S422 WeakPolarHBondContact O-CB 3.25Å; L419-S422 PolarHBondContact O-N 3.4Å; L419-L423 WeakPolarHBondContact O-CB 3.15Å; L419-L423 PolarHBondContact O-N 3.36Å; L419-W477 HydrophobicContact CB-CH2 4.11Å; L419-W477 HydrophobicContact CD2-CH2 4.06Å; L419-W477 VanDerWaalsContact O-CH2 3.3Å; L419-W477 WeakPolarHBondContact O-CH2 3.34Å; L419-W477 VanDerWaalsContact O-CZ2 3.31Å; L419-W477 WeakPolarHBondContact O-CZ2 3.3Å; L419-P479 HydrophobicContact CD2-CB 3.85Å; L419-T480 HydrophobicContact CD2-CG2 4.23Å; L419-L483 HydrophobicContact CD1-CD2 4Å; L419-I519 HydrophobicContact CD1-CG2 4.04Å; L419-L522 HydrophobicContact CB-CD1 3.87Å; L419-L522 HydrophobicContact CD1-CB 4.27Å; L419-L522 HydrophobicContact CD1-CD1 4.32Å |
| 420 | E | 93.9 | Very high | 91.6 | Very high | 8 Ų | 8 | 19.6 Ų | 19.6 | 4% | 0.037 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -63 | -47.2 | 178.6 | -67.9 | -176.4 | 164.4 | 0 | 0 | 112 | R416 R417 L423 L424 Y455 F460 L522 | R416-E420 HydrophobicContact CG-CG 4.26Å; R416-E420 IonicContact CZ-OE1 2.69Å; R416-E420 IonicContact NE-OE1 3.46Å; R416-E420 PolarHBondContact NE-OE1 3.03Å; R416-E420 IonicContact NH2-OE1 3.76Å; R416-E420 PolarHBondContact NH2-OE1 3.07Å; R416-E420 WeakPolarHBondContact O-CG 3.29Å; R416-E420 PolarHBondContact O-N 2.77Å; R417-E420 PolarHBondContact O-N 2.9Å; E420-L423 WeakPolarHBondContact O-CB 3.37Å; E420-L423 PolarHBondContact O-N 3.03Å; E420-L423 VanDerWaalsContact O-N 3.15Å; E420-L424 WeakPolarHBondContact O-CG 3.18Å; E420-L424 PolarHBondContact O-N 3.41Å; E420-Y455 PolarHBondContact OE2-OH 2.68Å; E420-F460 HydrophobicContact CB-CE2 3.85Å; E420-F460 HydrophobicContact CB-CZ 3.94Å; E420-F460 HydrophobicContact CG-CE1 4.08Å; E420-F460 HydrophobicContact CG-CE2 3.95Å; E420-F460 HydrophobicContact CG-CZ 3.57Å; E420-L522 HydrophobicContact CG-CD1 4.1Å |
| 421 | I | 93.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -66.1 | -41.9 | 175.4 | -59.4 | -63.3 | 0 | 0 | 0 | 110.8 | C363 F368 R417 L423 L424 L425 I453 Y455 | C363-I421 HydrophobicContact CB-CD1 4.06Å; F368-I421 HydrophobicContact CD2-CB 4.05Å; F368-I421 HydrophobicContact CD2-CG2 3.48Å; F368-I421 VanDerWaalsContact CD2-CG2 3.48Å; F368-I421 HydrophobicContact CE2-CB 3.99Å; F368-I421 HydrophobicContact CE2-CG2 3.7Å; F368-I421 HydrophobicContact CG-CG2 4.06Å; F368-I421 HydrophobicContact CZ-CG2 4.44Å; R417-I421 HydrophobicContact CG-CG1 4.2Å; R417-I421 WeakPolarHBondContact O-CG1 3.5Å; R417-I421 PolarHBondContact O-N 3.3Å; I421-L423 PolarHBondContact O-N 2.77Å; I421-L424 HydrophobicContact CD1-CD1 4.25Å; I421-L424 PolarHBondContact O-N 3.03Å; I421-L425 HydrophobicContact CG2-CD1 4.07Å; I421-L425 HydrophobicContact CG2-CG 4.35Å; I421-L425 VanDerWaalsContact O-CG 3.32Å; I421-L425 WeakPolarHBondContact O-CG 3.45Å; I421-L425 PolarHBondContact O-N 3.01Å; I421-I453 HydrophobicContact CD1-CB 4.1Å; I421-I453 HydrophobicContact CD1-CD1 4.4Å; I421-I453 HydrophobicContact CD1-CG2 4.29Å; I421-I453 HydrophobicContact CG2-CD1 3.95Å; I421-Y455 HydrophobicContact CD1-CE1 3.88Å |
| 422 | S | 93.3 | Very high | 90.9 | Very high | 10 Ų | 10 | 26.3 Ų | 26.3 | 7% | 0.07 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -57.9 | -31.3 | 172.8 | -67.9 | 0 | 0 | 0 | 0 | 112.9 | F368 F418 L419 W426 | F368-S422 WeakPolarHBondContact CZ-OG 3.48Å; F418-S422 WeakPolarHBondContact O-CB 3.31Å; F418-S422 PolarHBondContact O-N 3.44Å; F418-S422 PolarHBondContact O-OG 3.38Å; L419-S422 WeakPolarHBondContact O-CB 3.25Å; L419-S422 PolarHBondContact O-N 3.4Å; S422-W426 VanDerWaalsContact O-CB 3.25Å; S422-W426 WeakPolarHBondContact O-CB 3.48Å; S422-W426 PolarHBondContact O-N 2.88Å |
| 423 | L | 92.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -76.3 | -47 | 178.4 | -173 | 59.1 | 0 | 0 | 0 | 110.3 | L419 E420 I421 L425 W426 I427 F460 M464 I467 W477 L522 I525 | L419-L423 WeakPolarHBondContact O-CB 3.15Å; L419-L423 PolarHBondContact O-N 3.36Å; E420-L423 WeakPolarHBondContact O-CB 3.37Å; E420-L423 PolarHBondContact O-N 3.03Å; E420-L423 VanDerWaalsContact O-N 3.15Å; I421-L423 PolarHBondContact O-N 2.77Å; L423-L425 VanDerWaalsContact C-N 3.31Å; L423-L425 PolarHBondContact O-N 3.02Å; L423-W426 HydrophobicContact CD1-CE3 3.89Å; L423-W426 HydrophobicContact CD1-CZ3 4.37Å; L423-W426 WeakPolarHBondContact O-CA 3.47Å; L423-W426 WeakPolarHBondContact O-CB 3.32Å; L423-W426 PolarHBondContact O-N 3.13Å; L423-I427 WeakPolarHBondContact O-CG2 3.49Å; L423-I427 PolarHBondContact O-N 3.18Å; L423-I427 VanDerWaalsContact O-N 3.14Å; L423-F460 HydrophobicContact CD2-CE2 4.27Å; L423-F460 HydrophobicContact CD2-CZ 3.78Å; L423-M464 HydrophobicContact CD2-SD 3.65Å; L423-I467 HydrophobicContact CD1-CD1 3.69Å; L423-I467 HydrophobicContact CD2-CD1 4.08Å; L423-I467 HydrophobicContact CG-CD1 3.87Å; L423-W477 HydrophobicContact CB-CH2 3.88Å; L423-W477 HydrophobicContact CB-CZ2 3.72Å; L423-W477 HydrophobicContact CD1-CH2 4.21Å; L423-W477 HydrophobicContact CD1-CZ2 4.13Å; L423-W477 HydrophobicContact CD1-CZ3 4.38Å; L423-W477 HydrophobicContact CG-CH2 4.49Å; L423-L522 HydrophobicContact CD2-CD2 3.98Å; L423-I525 HydrophobicContact CD1-CD1 3.98Å; L423-I525 HydrophobicContact CD2-CD1 3.81Å |
| 424 | L | 91.9 | Very high | 90.2 | Very high | 1 Ų | 1 | 28.3 Ų | 28.3 | 1% | 0.005 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -59.1 | -37.5 | 177.4 | -72.9 | 163.7 | 0 | 0 | 0 | 112.7 | E420 I421 W426 I427 F438 P442 I453 Y455 F460 L463 | E420-L424 WeakPolarHBondContact O-CG 3.18Å; E420-L424 PolarHBondContact O-N 3.41Å; I421-L424 HydrophobicContact CD1-CD1 4.25Å; I421-L424 PolarHBondContact O-N 3.03Å; L424-W426 VanDerWaalsContact C-N 3.28Å; L424-W426 PolarHBondContact O-N 2.98Å; L424-I427 WeakPolarHBondContact O-CG1 3.43Å; L424-F438 HydrophobicContact CD2-CE1 3.96Å; L424-F438 HydrophobicContact CD2-CE2 3.93Å; L424-F438 HydrophobicContact CD2-CZ 3.41Å; L424-F438 VanDerWaalsContact CD2-CZ 3.41Å; L424-P442 HydrophobicContact CB-CB 4.04Å; L424-P442 HydrophobicContact CB-CG 4.4Å; L424-P442 HydrophobicContact CD2-CG 4.03Å; L424-I453 HydrophobicContact CD1-CG2 4.11Å; L424-Y455 HydrophobicContact CD1-CD1 3.47Å; L424-Y455 VanDerWaalsContact CD1-CD1 3.47Å; L424-Y455 HydrophobicContact CD1-CE1 3.59Å; L424-Y455 HydrophobicContact CD1-CG 4.04Å; L424-F460 HydrophobicContact CG-CE2 4.4Å; L424-L463 HydrophobicContact CD2-CD2 3.66Å; L424-L463 HydrophobicContact CG-CD2 4.44Å |
| 425 | L | 90.3 | Very high | 89.8 | Confident | 39 Ų | 39 | 29.1 Ų | 29.1 | 20% | 0.204 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -18 | 173.8 | -64.1 | 176.7 | 0 | 0 | 0 | 113.7 | F368 I421 L423 A446 I453 | F368-L425 HydrophobicContact CD1-CD1 3.66Å; F368-L425 HydrophobicContact CE1-CD1 3.52Å; F368-L425 HydrophobicContact CG-CD1 4.32Å; F368-L425 HydrophobicContact CZ-CD1 4.04Å; I421-L425 HydrophobicContact CG2-CD1 4.07Å; I421-L425 HydrophobicContact CG2-CG 4.35Å; I421-L425 VanDerWaalsContact O-CG 3.32Å; I421-L425 WeakPolarHBondContact O-CG 3.45Å; I421-L425 PolarHBondContact O-N 3.01Å; L423-L425 VanDerWaalsContact C-N 3.31Å; L423-L425 PolarHBondContact O-N 3.02Å; L425-A446 HydrophobicContact CD2-CB 3.38Å; L425-I453 HydrophobicContact CD2-CD1 4.18Å |
| 426 | W | 90 | Very high | 89.3 | Confident | 47 Ų | 47 | 33.7 Ų | 33.7 | 18% | 0.178 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | -19.2 | -175.5 | -171.8 | 59.5 | 0 | 0 | 0 | 113.6 | S422 L423 L424 D428 T429 I430 I471 T475 W477 | S422-W426 VanDerWaalsContact O-CB 3.25Å; S422-W426 WeakPolarHBondContact O-CB 3.48Å; S422-W426 PolarHBondContact O-N 2.88Å; L423-W426 HydrophobicContact CD1-CE3 3.89Å; L423-W426 HydrophobicContact CD1-CZ3 4.37Å; L423-W426 WeakPolarHBondContact O-CA 3.47Å; L423-W426 WeakPolarHBondContact O-CB 3.32Å; L423-W426 PolarHBondContact O-N 3.13Å; L424-W426 VanDerWaalsContact C-N 3.28Å; L424-W426 PolarHBondContact O-N 2.98Å; W426-D428 VanDerWaalsContact C-N 3.31Å; W426-D428 PolarHBondContact O-N 3.18Å; W426-D428 VanDerWaalsContact O-N 3.16Å; W426-T429 PolarHBondContact NE1-OG1 3.46Å; W426-T429 WeakPolarHBondContact O-CB 3.38Å; W426-T429 PolarHBondContact O-N 3.19Å; W426-T429 PolarHBondContact O-OG1 2.98Å; W426-I430 HydrophobicContact CD2-CD1 4.29Å; W426-I430 HydrophobicContact CD2-CG1 4.2Å; W426-I430 HydrophobicContact CE3-CD1 3.63Å; W426-I430 HydrophobicContact CE3-CG1 4Å; W426-I430 HydrophobicContact CH2-CD1 4.12Å; W426-I430 HydrophobicContact CH2-CG1 4.07Å; W426-I430 HydrophobicContact CZ2-CG1 4.29Å; W426-I430 HydrophobicContact CZ3-CD1 3.53Å; W426-I430 HydrophobicContact CZ3-CG1 3.94Å; W426-I471 HydrophobicContact CH2-CD1 3.92Å; W426-I471 HydrophobicContact CZ3-CD1 4.23Å; W426-T475 HydrophobicContact CH2-CG2 3.47Å; W426-T475 VanDerWaalsContact CH2-CG2 3.47Å; W426-T475 HydrophobicContact CZ2-CG2 3.39Å; W426-W477 AromaticContact CD2-CD1 3.4Å; W426-W477 VanDerWaalsContact CD2-CD1 3.4Å; W426-W477 HydrophobicContact CD2-CG 4.1Å; W426-W477 AromaticContact CD2-NE1 3.89Å; W426-W477 AromaticContact CE2-CD1 3.85Å; W426-W477 HydrophobicContact CE3-CB 4.27Å; W426-W477 AromaticContact CE3-CD1 3.47Å; W426-W477 VanDerWaalsContact CE3-CD1 3.47Å; W426-W477 HydrophobicContact CE3-CD2 4.23Å; W426-W477 AromaticContact CE3-CG 3.77Å; W426-W477 HydrophobicContact CE3-CG 3.77Å; W426-W477 AromaticContact CE3-NE1 3.85Å; W426-W477 AromaticContact CG-CD1 3.79Å; W426-W477 AromaticContact CG-NE1 3.96Å; W426-W477 HydrophobicContact CH2-CB 3.9Å; W426-W477 HydrophobicContact CH2-CG 4.29Å; W426-W477 HydrophobicContact CZ2-CB 4.22Å; W426-W477 HydrophobicContact CZ3-CB 3.91Å; W426-W477 HydrophobicContact CZ3-CD2 4.43Å; W426-W477 AromaticContact CZ3-CG 3.87Å; W426-W477 HydrophobicContact CZ3-CG 3.87Å |
| 427 | I | 89.9 | Confident | 88.8 | Confident | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -51.5 | -42.4 | -173.7 | 71.9 | -172.2 | 0 | 0 | 0 | 114 | L423 L424 T429 I430 D431 L434 A435 F438 P442 L463 I467 | L423-I427 WeakPolarHBondContact O-CG2 3.49Å; L423-I427 PolarHBondContact O-N 3.18Å; L423-I427 VanDerWaalsContact O-N 3.14Å; L424-I427 WeakPolarHBondContact O-CG1 3.43Å; I427-T429 PolarHBondContact O-N 3.35Å; I427-T429 VanDerWaalsContact O-N 3.11Å; I427-I430 WeakPolarHBondContact O-CB 3.42Å; I427-I430 PolarHBondContact O-N 3.03Å; I427-D431 PolarHBondContact O-N 2.77Å; I427-L434 HydrophobicContact CB-CB 4.04Å; I427-L434 HydrophobicContact CB-CD1 4.24Å; I427-L434 HydrophobicContact CD1-CB 4.39Å; I427-L434 HydrophobicContact CG1-CB 4.38Å; I427-A435 HydrophobicContact CD1-CB 4.43Å; I427-F438 HydrophobicContact CD1-CE2 4.14Å; I427-P442 HydrophobicContact CD1-CG 4.32Å; I427-L463 HydrophobicContact CG2-CD1 3.86Å; I427-L463 HydrophobicContact CG2-CD2 3.91Å; I427-L463 HydrophobicContact CG2-CG 4.44Å; I427-I467 HydrophobicContact CG2-CD1 4.26Å |
| 428 | D | 83.9 | Confident | 88.5 | Confident | 40 Ų | 40 | 30.9 Ų | 30.9 | 21% | 0.214 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -57.3 | -28.3 | 179 | -73.2 | -13.4 | 0 | 0 | 0 | 113.4 | W426 P432 R443 | W426-D428 VanDerWaalsContact C-N 3.31Å; W426-D428 PolarHBondContact O-N 3.18Å; W426-D428 VanDerWaalsContact O-N 3.16Å; D428-P432 WeakPolarHBondContact O-CD 3.31Å; D428-P432 WeakPolarHBondContact O-CG 3.45Å; D428-R443 WeakPolarHBondContact OD2-CD 3.4Å; D428-R443 IonicContact OD2-CZ 2.72Å; D428-R443 IonicContact OD2-NE 3.96Å; D428-R443 IonicContact OD2-NH1 3.11Å; D428-R443 PolarHBondContact OD2-NH1 3.14Å |
| 429 | T | 84.3 | Confident | 87.9 | Confident | 87 Ų | 87 | 38.4 Ų | 38.4 | 53% | 0.534 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -83.8 | -19.4 | -178.4 | 75.8 | 0 | 0 | 0 | 0 | 112.4 | W426 I427 | W426-T429 PolarHBondContact NE1-OG1 3.46Å; W426-T429 WeakPolarHBondContact O-CB 3.38Å; W426-T429 PolarHBondContact O-N 3.19Å; W426-T429 PolarHBondContact O-OG1 2.98Å; I427-T429 PolarHBondContact O-N 3.35Å; I427-T429 VanDerWaalsContact O-N 3.11Å |
| 430 | I | 81.7 | Confident | 87.4 | Confident | 41 Ų | 41 | 42.9 Ų | 42.9 | 21% | 0.21 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -82.6 | -58.1 | 171.4 | -44 | 173.4 | 0 | 0 | 0 | 108.6 | W426 I427 L434 I467 | W426-I430 HydrophobicContact CD2-CD1 4.29Å; W426-I430 HydrophobicContact CD2-CG1 4.2Å; W426-I430 HydrophobicContact CE3-CD1 3.63Å; W426-I430 HydrophobicContact CE3-CG1 4Å; W426-I430 HydrophobicContact CH2-CD1 4.12Å; W426-I430 HydrophobicContact CH2-CG1 4.07Å; W426-I430 HydrophobicContact CZ2-CG1 4.29Å; W426-I430 HydrophobicContact CZ3-CD1 3.53Å; W426-I430 HydrophobicContact CZ3-CG1 3.94Å; I427-I430 WeakPolarHBondContact O-CB 3.42Å; I427-I430 PolarHBondContact O-N 3.03Å; I430-L434 HydrophobicContact CB-CD1 4.34Å; I430-I467 HydrophobicContact CD1-CD1 3.96Å; I430-I467 HydrophobicContact CD1-CG1 3.95Å; I430-I467 HydrophobicContact CD1-CG2 4.06Å |
| 431 | D | 83.6 | Confident | 87 | Confident | 46 Ų | 46 | 44.5 Ų | 44.5 | 25% | 0.246 | 26% | 0.257 | C | S | . | . | trans | -162.9 | 111.1 | -176.9 | -177.3 | -20.6 | 0 | 0 | 0 | 110.1 | I427 S433 L434 R470 | I427-D431 PolarHBondContact O-N 2.77Å; D431-S433 PolarHBondContact O-N 3.15Å; D431-S433 WeakPolarHBondContact OD1-CB 3.34Å; D431-S433 PolarHBondContact OD1-N 3.21Å; D431-S433 PolarHBondContact OD1-OG 2.73Å; D431-S433 PolarHBondContact OD2-OG 3.32Å; D431-L434 HydrophobicContact CB-CD1 4.18Å; D431-L434 HydrophobicContact CB-CG 4.15Å; D431-L434 WeakPolarHBondContact O-CB 3.21Å; D431-L434 WeakPolarHBondContact O-CG 3.17Å; D431-L434 PolarHBondContact O-N 2.8Å; D431-R470 VanDerWaalsContact CG-NH1 3.35Å; D431-R470 IonicContact OD1-NH1 2.7Å; D431-R470 WeakPolarHBondContact OD2-CD 3.5Å; D431-R470 IonicContact OD2-CZ 2.66Å; D431-R470 IonicContact OD2-NE 3.56Å; D431-R470 IonicContact OD2-NH1 3.3Å; D431-R470 PolarHBondContact OD2-NH1 2.91Å | ||
| 432 | P | 84.5 | Confident | 86.7 | Confident | 94 Ų | 94 | 44.7 Ų | 44.7 | 61% | 0.61 | 26% | 0.258 | S | S | * | . | G | 310 helix | trans | -57.2 | -15.5 | 178.6 | -27.3 | 35.2 | 0 | 0 | 0 | 115.9 | D428 L434 | D428-P432 WeakPolarHBondContact O-CD 3.31Å; D428-P432 WeakPolarHBondContact O-CG 3.45Å; P432-L434 VanDerWaalsContact C-N 3.27Å |
| 433 | S | 85.7 | Confident | 86.4 | Confident | 56 Ų | 56 | 50.1 Ų | 50.1 | 39% | 0.392 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | -75.3 | -13.9 | 173.7 | 67.9 | 0 | 0 | 0 | 0 | 113.6 | D431 A435 S436 R470 | D431-S433 PolarHBondContact O-N 3.15Å; D431-S433 WeakPolarHBondContact OD1-CB 3.34Å; D431-S433 PolarHBondContact OD1-N 3.21Å; D431-S433 PolarHBondContact OD1-OG 2.73Å; D431-S433 PolarHBondContact OD2-OG 3.32Å; S433-A435 PolarHBondContact O-N 3.47Å; S433-S436 PolarHBondContact O-N 3.23Å; S433-S436 PolarHBondContact O-OG 3.14Å; S433-R470 PolarHBondContact OG-NH1 3.01Å |
| 434 | L | 86.1 | Confident | 86.1 | Confident | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -67.1 | -24.9 | 173.5 | -65.8 | 173.2 | 0 | 0 | 0 | 112.2 | I427 I430 D431 P432 S436 L437 L463 L466 I467 | I427-L434 HydrophobicContact CB-CB 4.04Å; I427-L434 HydrophobicContact CB-CD1 4.24Å; I427-L434 HydrophobicContact CD1-CB 4.39Å; I427-L434 HydrophobicContact CG1-CB 4.38Å; I430-L434 HydrophobicContact CB-CD1 4.34Å; D431-L434 HydrophobicContact CB-CD1 4.18Å; D431-L434 HydrophobicContact CB-CG 4.15Å; D431-L434 WeakPolarHBondContact O-CB 3.21Å; D431-L434 WeakPolarHBondContact O-CG 3.17Å; D431-L434 PolarHBondContact O-N 2.8Å; P432-L434 VanDerWaalsContact C-N 3.27Å; L434-S436 PolarHBondContact O-N 2.72Å; L434-L437 HydrophobicContact CD2-CD1 4.28Å; L434-L437 WeakPolarHBondContact O-CB 3.4Å; L434-L437 WeakPolarHBondContact O-CG 3.3Å; L434-L437 PolarHBondContact O-N 2.92Å; L434-L463 HydrophobicContact CB-CD1 4.16Å; L434-L463 HydrophobicContact CD1-CD1 4.35Å; L434-L463 HydrophobicContact CD2-CD1 4.27Å; L434-L463 HydrophobicContact CG-CD1 4.5Å; L434-L466 HydrophobicContact CD2-CB 3.74Å; L434-L466 HydrophobicContact CD2-CD1 4.38Å; L434-I467 HydrophobicContact CD1-CG1 3.95Å |
| 435 | A | 85.4 | Confident | 85.9 | Confident | 16 Ų | 16 | 52.8 Ų | 52.8 | 13% | 0.132 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -64 | -19 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | I427 S433 L437 | I427-A435 HydrophobicContact CD1-CB 4.43Å; S433-A435 PolarHBondContact O-N 3.47Å; A435-L437 PolarHBondContact O-N 3.47Å |
| 436 | S | 85.7 | Confident | 85.7 | Confident | 101 Ų | 101 | 51.3 Ų | 51.3 | 71% | 0.706 | 29% | 0.292 | S | S | * | . | G | 310 helix | trans | -85.2 | 16.4 | 176.8 | 78.4 | 0 | 0 | 0 | 0 | 114.1 | S433 L434 | S433-S436 PolarHBondContact O-N 3.23Å; S433-S436 PolarHBondContact O-OG 3.14Å; L434-S436 PolarHBondContact O-N 2.72Å |
| 437 | L | 84.8 | Confident | 85.4 | Confident | 38 Ų | 38 | 52.6 Ų | 52.6 | 20% | 0.199 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -88.8 | -8.5 | 168 | -63.8 | 169.8 | 0 | 0 | 0 | 112.4 | L434 A435 R462 L463 L466 | L434-L437 HydrophobicContact CD2-CD1 4.28Å; L434-L437 WeakPolarHBondContact O-CB 3.4Å; L434-L437 WeakPolarHBondContact O-CG 3.3Å; L434-L437 PolarHBondContact O-N 2.92Å; A435-L437 PolarHBondContact O-N 3.47Å; L437-R462 HydrophobicContact CD2-CG 4.34Å; L437-L463 HydrophobicContact CD1-CB 4.2Å; L437-L463 HydrophobicContact CD1-CD1 3.9Å; L437-L466 HydrophobicContact CD1-CD1 3.76Å; L437-L466 HydrophobicContact CD2-CD1 3.81Å; L437-L466 HydrophobicContact CG-CD1 4.36Å |
| 438 | F | 87.4 | Confident | 85.1 | Confident | 17 Ų | 17 | 56.5 Ų | 56.5 | 8% | 0.075 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -128.4 | 147.2 | -174.9 | -51.1 | -83.4 | 0 | 0 | 0 | 108.9 | L424 I427 E440 P442 Q459 L463 | L424-F438 HydrophobicContact CD2-CE1 3.96Å; L424-F438 HydrophobicContact CD2-CE2 3.93Å; L424-F438 HydrophobicContact CD2-CZ 3.41Å; L424-F438 VanDerWaalsContact CD2-CZ 3.41Å; I427-F438 HydrophobicContact CD1-CE2 4.14Å; F438-E440 WeakPolarHBondContact CB-O 3.48Å; F438-P442 HydrophobicContact CD2-CG 3.78Å; F438-P442 HydrophobicContact CE2-CG 4.1Å; F438-P442 HydrophobicContact CG-CG 4.02Å; F438-Q459 HydrophobicContact CD1-CB 4.47Å; F438-Q459 HydrophobicContact CE1-CB 3.94Å; F438-L463 HydrophobicContact CE2-CD2 4.42Å; F438-L463 HydrophobicContact CZ-CD2 4.08Å |
| 439 | D | 83.1 | Confident | 84.9 | Confident | 163 Ų | 163 | 54.6 Ų | 54.6 | 87% | 0.872 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -71 | -39.4 | -175.2 | -59.4 | -70.8 | 0 | 0 | 0 | 112.8 | ||
| 440 | E | 83.8 | Confident | 84.8 | Confident | 94 Ų | 94 | 51.4 Ų | 51.4 | 44% | 0.439 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -107.9 | 141.6 | 159.5 | -70.3 | -162.7 | -144.6 | 0 | 0 | 109.6 | F438 V445 R451 | F438-E440 WeakPolarHBondContact CB-O 3.48Å; E440-V445 HydrophobicContact CB-CG2 3.64Å; E440-R451 IonicContact OE1-CZ 3.84Å; E440-R451 VanDerWaalsContact OE1-CZ 3.3Å; E440-R451 IonicContact OE1-NH1 3.71Å; E440-R451 PolarHBondContact OE1-NH1 3.22Å; E440-R451 IonicContact OE1-NH2 3.69Å; E440-R451 PolarHBondContact OE1-NH2 3.14Å; E440-R451 IonicContact OE2-CZ 2.86Å; E440-R451 IonicContact OE2-NH1 2.77Å; E440-R451 IonicContact OE2-NH2 3.8Å; E440-R451 PolarHBondContact OE2-NH2 3.26Å |
| 441 | S | 86.5 | Confident | 85.1 | Confident | 43 Ų | 43 | 53.7 Ų | 53.7 | 30% | 0.301 | 31% | 0.313 | S | S | . | . | trans | -70.5 | 131.2 | 179.5 | 64.6 | 0 | 0 | 0 | 0 | 110.7 | R443 A444 V445 | S441-R443 PolarHBondContact O-N 2.83Å; S441-A444 WeakPolarHBondContact O-CA 3.46Å; S441-A444 WeakPolarHBondContact O-CB 3.44Å; S441-A444 PolarHBondContact O-N 3.23Å; S441-A444 VanDerWaalsContact OG-CB 3.31Å; S441-A444 WeakPolarHBondContact OG-CB 3.11Å; S441-V445 PolarHBondContact O-N 3.25Å; S441-V445 VanDerWaalsContact O-N 3.13Å | ||
| 442 | P | 87.6 | Confident | 85.3 | Confident | 3 Ų | 3 | 52.1 Ų | 52.1 | 2% | 0.019 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -52.7 | -33.4 | -174.5 | -32 | 36.2 | 0 | 0 | 0 | 114.2 | L424 I427 F438 A446 I453 | L424-P442 HydrophobicContact CB-CB 4.04Å; L424-P442 HydrophobicContact CB-CG 4.4Å; L424-P442 HydrophobicContact CD2-CG 4.03Å; I427-P442 HydrophobicContact CD1-CG 4.32Å; F438-P442 HydrophobicContact CD2-CG 3.78Å; F438-P442 HydrophobicContact CE2-CG 4.1Å; F438-P442 HydrophobicContact CG-CG 4.02Å; P442-A446 VanDerWaalsContact O-CB 3.24Å; P442-A446 WeakPolarHBondContact O-CB 3.19Å; P442-A446 PolarHBondContact O-N 3.47Å; P442-I453 HydrophobicContact CB-CG2 3.9Å |
| 443 | R | 86.5 | Confident | 85.6 | Confident | 124 Ų | 124 | 47.9 Ų | 47.9 | 47% | 0.468 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -74.1 | -29.9 | 177 | -166 | 178.2 | -166.8 | 160 | 10.2 | 114.3 | D428 S441 A447 | D428-R443 WeakPolarHBondContact OD2-CD 3.4Å; D428-R443 IonicContact OD2-CZ 2.72Å; D428-R443 IonicContact OD2-NE 3.96Å; D428-R443 IonicContact OD2-NH1 3.11Å; D428-R443 PolarHBondContact OD2-NH1 3.14Å; S441-R443 PolarHBondContact O-N 2.83Å; R443-A447 VanDerWaalsContact O-CB 3.28Å; R443-A447 WeakPolarHBondContact O-CB 3.29Å; R443-A447 PolarHBondContact O-N 3Å |
| 444 | A | 85.9 | Confident | 85.7 | Confident | 45 Ų | 45 | 49.4 Ų | 49.4 | 37% | 0.372 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -71.1 | -44.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | S441 A446 A447 V448 | S441-A444 WeakPolarHBondContact O-CA 3.46Å; S441-A444 WeakPolarHBondContact O-CB 3.44Å; S441-A444 PolarHBondContact O-N 3.23Å; S441-A444 VanDerWaalsContact OG-CB 3.31Å; S441-A444 WeakPolarHBondContact OG-CB 3.11Å; A444-A446 VanDerWaalsContact C-N 3.33Å; A444-A446 PolarHBondContact O-N 2.86Å; A444-A447 WeakPolarHBondContact O-CB 3.46Å; A444-A447 PolarHBondContact O-N 3.19Å; A444-A447 VanDerWaalsContact O-N 3.09Å; A444-V448 PolarHBondContact O-N 2.72Å |
| 445 | V | 87.5 | Confident | 85.9 | Confident | 13 Ų | 13 | 51.2 Ų | 51.2 | 8% | 0.079 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -55.6 | -49.1 | 171.9 | -177.8 | 0 | 0 | 0 | 0 | 110.2 | E440 S441 A447 V448 G449 R451 P452 I453 | E440-V445 HydrophobicContact CB-CG2 3.64Å; S441-V445 PolarHBondContact O-N 3.25Å; S441-V445 VanDerWaalsContact O-N 3.13Å; V445-A447 VanDerWaalsContact C-N 3.27Å; V445-A447 PolarHBondContact O-N 3.36Å; V445-V448 PolarHBondContact O-N 2.99Å; V445-G449 PolarHBondContact O-N 3.48Å; V445-R451 HydrophobicContact CG1-CB 4.19Å; V445-P452 WeakPolarHBondContact CG1-O 3.49Å; V445-I453 HydrophobicContact CB-CG1 4.37Å; V445-I453 HydrophobicContact CG1-CG1 4.06Å |
| 446 | A | 86.6 | Confident | 86.1 | Confident | 8 Ų | 8 | 53.7 Ų | 53.7 | 7% | 0.066 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -65 | -25.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | R369 L425 P442 A444 G449 I453 | R369-A446 PolarHBondContact NH2-O 2.96Å; L425-A446 HydrophobicContact CD2-CB 3.38Å; P442-A446 VanDerWaalsContact O-CB 3.24Å; P442-A446 WeakPolarHBondContact O-CB 3.19Å; P442-A446 PolarHBondContact O-N 3.47Å; A444-A446 VanDerWaalsContact C-N 3.33Å; A444-A446 PolarHBondContact O-N 2.86Å; A446-G449 VanDerWaalsContact O-CA 3.32Å; A446-G449 WeakPolarHBondContact O-CA 3.44Å; A446-G449 PolarHBondContact O-N 3.13Å; A446-I453 HydrophobicContact CB-CD1 3.88Å; A446-I453 HydrophobicContact CB-CG1 4.46Å |
| 447 | A | 82.7 | Confident | 86.1 | Confident | 74 Ų | 74 | 52.4 Ų | 52.4 | 61% | 0.612 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -77.6 | -38.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | R443 A444 V445 G449 | R443-A447 VanDerWaalsContact O-CB 3.28Å; R443-A447 WeakPolarHBondContact O-CB 3.29Å; R443-A447 PolarHBondContact O-N 3Å; A444-A447 WeakPolarHBondContact O-CB 3.46Å; A444-A447 PolarHBondContact O-N 3.19Å; A444-A447 VanDerWaalsContact O-N 3.09Å; V445-A447 VanDerWaalsContact C-N 3.27Å; V445-A447 PolarHBondContact O-N 3.36Å; A447-G449 VanDerWaalsContact C-N 3.3Å |
| 448 | V | 84.2 | Confident | 85.9 | Confident | 82 Ų | 82 | 57 Ų | 57 | 50% | 0.497 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -60.8 | -45.6 | 164 | 176.8 | 0 | 0 | 0 | 0 | 109.1 | A444 V445 C450 R451 | A444-V448 PolarHBondContact O-N 2.72Å; V445-V448 PolarHBondContact O-N 2.99Å; V448-C450 PolarHBondContact O-N 3.07Å; V448-R451 HydrophobicContact CG1-CG 4.33Å |
| 449 | G | 78.4 | Confident | 86 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 33% | 0.327 | C | S | . | . | trans | 77.6 | -17.2 | 161.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | G365 I366 V445 A446 A447 | G365-G449 PolarHBondContact N-O 3Å; I366-G449 PolarHBondContact N-O 3.19Å; I366-G449 VanDerWaalsContact N-O 3.13Å; V445-G449 PolarHBondContact O-N 3.48Å; A446-G449 VanDerWaalsContact O-CA 3.32Å; A446-G449 WeakPolarHBondContact O-CA 3.44Å; A446-G449 PolarHBondContact O-N 3.13Å; A447-G449 VanDerWaalsContact C-N 3.3Å | ||
| 450 | C | 82.8 | Confident | 86.3 | Confident | 21 Ų | 21 | 51.4 Ų | 51.4 | 14% | 0.142 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -91 | -13.8 | 172.5 | -50.3 | 0 | 0 | 0 | 0 | 114 | E322 C325 Q326 Y364 V448 | E322-C450 VanDerWaalsContact CA-O 3.31Å; E322-C450 WeakPolarHBondContact CA-O 3.24Å; E322-C450 WeakPolarHBondContact CG-O 3.5Å; C325-C450 HydrophobicContact CB-CB 3.81Å; Q326-C450 HydrophobicContact CG-CB 4.24Å; Y364-C450 WeakPolarHBondContact CD1-O 3.45Å; Y364-C450 WeakPolarHBondContact CE1-O 3.31Å; V448-C450 PolarHBondContact O-N 3.07Å |
| 451 | R | 87.3 | Confident | 86.4 | Confident | 88 Ų | 88 | 50.4 Ų | 50.4 | 33% | 0.332 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -96.4 | 145.9 | 175 | -55.6 | -157.7 | -85.7 | 145.3 | 3.8 | 110.3 | E322 E440 V445 V448 | E322-R451 WeakPolarHBondContact OE1-CG 3.2Å; E440-R451 IonicContact OE1-CZ 3.84Å; E440-R451 VanDerWaalsContact OE1-CZ 3.3Å; E440-R451 IonicContact OE1-NH1 3.71Å; E440-R451 PolarHBondContact OE1-NH1 3.22Å; E440-R451 IonicContact OE1-NH2 3.69Å; E440-R451 PolarHBondContact OE1-NH2 3.14Å; E440-R451 IonicContact OE2-CZ 2.86Å; E440-R451 IonicContact OE2-NH1 2.77Å; E440-R451 IonicContact OE2-NH2 3.8Å; E440-R451 PolarHBondContact OE2-NH2 3.26Å; V445-R451 HydrophobicContact CG1-CB 4.19Å; V448-R451 HydrophobicContact CG1-CG 4.33Å |
| 452 | P | 89.3 | Confident | 86.3 | Confident | 14 Ų | 14 | 55 Ų | 55 | 9% | 0.091 | 30% | 0.304 | C | S | . | . | B | Isolated β-bridge | trans | -71.3 | 146 | 177.7 | 28.8 | -33.2 | 0 | 0 | 0 | 111.6 | C363 Y364 V445 T454 | C363-P452 VanDerWaalsContact SG-CB 3.59Å; Y364-P452 HydrophobicContact CE1-CB 4.05Å; Y364-P452 HydrophobicContact CE1-CG 4.27Å; Y364-P452 HydrophobicContact CE2-CB 4.07Å; V445-P452 WeakPolarHBondContact CG1-O 3.49Å; P452-T454 HydrophobicContact CG-CG2 4.32Å; P452-T454 PolarHBondContact O-N 3.06Å |
| 453 | I | 90 | Very high | 86.4 | Confident | 5 Ų | 5 | 54.9 Ų | 54.9 | 3% | 0.026 | 30% | 0.303 | C | S | . | . | trans | -83 | 95.4 | 169.9 | -58.5 | 161.6 | 0 | 0 | 0 | 108.2 | C363 I421 L424 L425 P442 V445 A446 Y455 | C363-I453 WeakPolarHBondContact O-CB 3.44Å; C363-I453 WeakPolarHBondContact O-CD1 3.25Å; C363-I453 VanDerWaalsContact O-CG1 3.26Å; C363-I453 WeakPolarHBondContact O-CG1 3.31Å; C363-I453 PolarHBondContact O-N 2.99Å; I421-I453 HydrophobicContact CD1-CB 4.1Å; I421-I453 HydrophobicContact CD1-CD1 4.4Å; I421-I453 HydrophobicContact CD1-CG2 4.29Å; I421-I453 HydrophobicContact CG2-CD1 3.95Å; L424-I453 HydrophobicContact CD1-CG2 4.11Å; L425-I453 HydrophobicContact CD2-CD1 4.18Å; P442-I453 HydrophobicContact CB-CG2 3.9Å; V445-I453 HydrophobicContact CB-CG1 4.37Å; V445-I453 HydrophobicContact CG1-CG1 4.06Å; A446-I453 HydrophobicContact CB-CD1 3.88Å; A446-I453 HydrophobicContact CB-CG1 4.46Å; I453-Y455 WeakPolarHBondContact O-CD1 3.39Å | ||
| 454 | T | 88.8 | Confident | 86.5 | Confident | 87 Ų | 87 | 49.7 Ų | 49.7 | 53% | 0.534 | 28% | 0.284 | S | S | . | . | trans | -84.7 | 149 | 176.7 | 53.4 | 0 | 0 | 0 | 0 | 112 | P452 | P452-T454 HydrophobicContact CG-CG2 4.32Å; P452-T454 PolarHBondContact O-N 3.06Å | ||
| 455 | Y | 90.4 | Very high | 86.4 | Confident | 40 Ų | 40 | 49 Ų | 49 | 16% | 0.157 | 28% | 0.277 | C | S | . | . | trans | -161.8 | 144.1 | 175.9 | 51.6 | -82.9 | 0 | 0 | 0 | 110.1 | R417 E420 I421 L424 I453 F460 | R417-Y455 PolarHBondContact NH1-OH 3.2Å; E420-Y455 PolarHBondContact OE2-OH 2.68Å; I421-Y455 HydrophobicContact CD1-CE1 3.88Å; L424-Y455 HydrophobicContact CD1-CD1 3.47Å; L424-Y455 VanDerWaalsContact CD1-CD1 3.47Å; L424-Y455 HydrophobicContact CD1-CE1 3.59Å; L424-Y455 HydrophobicContact CD1-CG 4.04Å; I453-Y455 WeakPolarHBondContact O-CD1 3.39Å; Y455-F460 HydrophobicContact CD2-CB 3.98Å; Y455-F460 AromaticContact CD2-CD2 3.97Å; Y455-F460 HydrophobicContact CD2-CD2 3.97Å; Y455-F460 HydrophobicContact CD2-CG 4.27Å; Y455-F460 HydrophobicContact CE2-CB 4.46Å; Y455-F460 AromaticContact CE2-CD2 4Å; Y455-F460 HydrophobicContact CE2-CD2 4Å; Y455-F460 HydrophobicContact CE2-CG 4.35Å | ||
| 456 | T | 89.3 | Confident | 86.3 | Confident | 67 Ų | 67 | 50 Ų | 50 | 41% | 0.411 | 28% | 0.281 | S | S | . | . | trans | -85.6 | 159.1 | 172.6 | 74.3 | 0 | 0 | 0 | 0 | 111.8 | E458 Q459 F460 | T456-E458 VanDerWaalsContact C-N 3.26Å; T456-E458 PolarHBondContact O-N 3.48Å; T456-Q459 PolarHBondContact O-N 2.84Å; T456-Q459 WeakPolarHBondContact OG1-CG 3.37Å; T456-Q459 PolarHBondContact OG1-N 3.35Å; T456-Q459 VanDerWaalsContact OG1-N 3.11Å; T456-F460 PolarHBondContact O-N 2.93Å | ||
| 457 | A | 84.6 | Confident | 86.2 | Confident | 75 Ų | 75 | 49.6 Ų | 49.6 | 62% | 0.62 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -58 | -36.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | F460 S461 | A457-F460 PolarHBondContact O-N 3.33Å; A457-S461 VanDerWaalsContact O-CB 3.26Å; A457-S461 WeakPolarHBondContact O-CB 3.35Å; A457-S461 PolarHBondContact O-N 2.87Å |
| 458 | E | 81.9 | Confident | 86.2 | Confident | 133 Ų | 133 | 46.4 Ų | 46.4 | 62% | 0.621 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -64.9 | -48 | 174.2 | -162.8 | -148.1 | 137.6 | 0 | 0 | 111.3 | T456 F460 S461 R462 | T456-E458 VanDerWaalsContact C-N 3.26Å; T456-E458 PolarHBondContact O-N 3.48Å; E458-F460 VanDerWaalsContact C-N 3.29Å; E458-F460 PolarHBondContact O-N 2.93Å; E458-S461 PolarHBondContact O-N 2.85Å; E458-R462 WeakPolarHBondContact O-CB 3.24Å; E458-R462 PolarHBondContact O-N 3.44Å; E458-R462 IonicContact OE1-NH1 2.71Å |
| 459 | Q | 88.5 | Confident | 85.8 | Confident | 44 Ų | 44 | 43.3 Ų | 43.3 | 21% | 0.206 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -57.6 | -42.6 | 177.5 | -75.7 | 171 | -13.4 | 0 | 0 | 111.4 | F438 T456 L463 | F438-Q459 HydrophobicContact CD1-CB 4.47Å; F438-Q459 HydrophobicContact CE1-CB 3.94Å; T456-Q459 PolarHBondContact O-N 2.84Å; T456-Q459 WeakPolarHBondContact OG1-CG 3.37Å; T456-Q459 PolarHBondContact OG1-N 3.35Å; T456-Q459 VanDerWaalsContact OG1-N 3.11Å; Q459-L463 WeakPolarHBondContact O-CB 3.42Å; Q459-L463 PolarHBondContact O-N 3.02Å |
| 460 | F | 89.5 | Confident | 85.7 | Confident | 19 Ų | 19 | 47.8 Ų | 47.8 | 8% | 0.083 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -71.8 | -42.3 | 179.5 | -163.7 | -91.6 | 0 | 0 | 0 | 112.8 | E420 L423 L424 Y455 T456 A457 E458 R462 L463 M464 L522 | E420-F460 HydrophobicContact CB-CE2 3.85Å; E420-F460 HydrophobicContact CB-CZ 3.94Å; E420-F460 HydrophobicContact CG-CE1 4.08Å; E420-F460 HydrophobicContact CG-CE2 3.95Å; E420-F460 HydrophobicContact CG-CZ 3.57Å; L423-F460 HydrophobicContact CD2-CE2 4.27Å; L423-F460 HydrophobicContact CD2-CZ 3.78Å; L424-F460 HydrophobicContact CG-CE2 4.4Å; Y455-F460 HydrophobicContact CD2-CB 3.98Å; Y455-F460 AromaticContact CD2-CD2 3.97Å; Y455-F460 HydrophobicContact CD2-CD2 3.97Å; Y455-F460 HydrophobicContact CD2-CG 4.27Å; Y455-F460 HydrophobicContact CE2-CB 4.46Å; Y455-F460 AromaticContact CE2-CD2 4Å; Y455-F460 HydrophobicContact CE2-CD2 4Å; Y455-F460 HydrophobicContact CE2-CG 4.35Å; T456-F460 PolarHBondContact O-N 2.93Å; A457-F460 PolarHBondContact O-N 3.33Å; E458-F460 VanDerWaalsContact C-N 3.29Å; E458-F460 PolarHBondContact O-N 2.93Å; F460-R462 VanDerWaalsContact C-N 3.31Å; F460-R462 PolarHBondContact O-N 2.93Å; F460-L463 WeakPolarHBondContact O-CB 3.35Å; F460-L463 PolarHBondContact O-N 3.27Å; F460-M464 HydrophobicContact CD1-CG 4Å; F460-M464 HydrophobicContact CE1-CG 3.66Å; F460-M464 HydrophobicContact CE1-SD 4.24Å; F460-M464 HydrophobicContact CZ-CG 4.34Å; F460-M464 WeakPolarHBondContact O-CG 3.44Å; F460-M464 PolarHBondContact O-N 3.28Å; F460-L522 HydrophobicContact CE1-CD2 4.08Å; F460-L522 HydrophobicContact CZ-CD2 3.93Å |
| 461 | S | 85.4 | Confident | 85.4 | Confident | 73 Ų | 73 | 47.1 Ų | 47.1 | 51% | 0.51 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -59.2 | -42.6 | 172.9 | 179.4 | 0 | 0 | 0 | 0 | 111.7 | A457 E458 M464 S465 | A457-S461 VanDerWaalsContact O-CB 3.26Å; A457-S461 WeakPolarHBondContact O-CB 3.35Å; A457-S461 PolarHBondContact O-N 2.87Å; E458-S461 PolarHBondContact O-N 2.85Å; S461-M464 PolarHBondContact O-N 2.9Å; S461-S465 VanDerWaalsContact O-CB 3.3Å; S461-S465 WeakPolarHBondContact O-CB 3.4Å; S461-S465 PolarHBondContact O-N 3.24Å |
| 462 | R | 84.8 | Confident | 84.8 | Confident | 141 Ų | 141 | 52.1 Ų | 52.1 | 53% | 0.532 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -66.2 | -39.3 | 175 | -172.3 | 175.9 | -174.4 | 134.4 | -2.8 | 112.3 | L437 E458 F460 S465 L466 | L437-R462 HydrophobicContact CD2-CG 4.34Å; E458-R462 WeakPolarHBondContact O-CB 3.24Å; E458-R462 PolarHBondContact O-N 3.44Å; E458-R462 IonicContact OE1-NH1 2.71Å; F460-R462 VanDerWaalsContact C-N 3.31Å; F460-R462 PolarHBondContact O-N 2.93Å; R462-S465 WeakPolarHBondContact O-CB 3.33Å; R462-L466 HydrophobicContact CG-CD1 4.3Å; R462-L466 WeakPolarHBondContact O-CB 3.36Å; R462-L466 VanDerWaalsContact O-CG 3.3Å; R462-L466 WeakPolarHBondContact O-CG 3.2Å; R462-L466 PolarHBondContact O-N 3.21Å |
| 463 | L | 90 | Very high | 83.9 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.2 | -51.2 | 172.6 | 175.9 | 65.2 | 0 | 0 | 0 | 110.9 | L424 I427 L434 L437 F438 Q459 F460 S465 L466 I467 | L424-L463 HydrophobicContact CD2-CD2 3.66Å; L424-L463 HydrophobicContact CG-CD2 4.44Å; I427-L463 HydrophobicContact CG2-CD1 3.86Å; I427-L463 HydrophobicContact CG2-CD2 3.91Å; I427-L463 HydrophobicContact CG2-CG 4.44Å; L434-L463 HydrophobicContact CB-CD1 4.16Å; L434-L463 HydrophobicContact CD1-CD1 4.35Å; L434-L463 HydrophobicContact CD2-CD1 4.27Å; L434-L463 HydrophobicContact CG-CD1 4.5Å; L437-L463 HydrophobicContact CD1-CB 4.2Å; L437-L463 HydrophobicContact CD1-CD1 3.9Å; F438-L463 HydrophobicContact CE2-CD2 4.42Å; F438-L463 HydrophobicContact CZ-CD2 4.08Å; Q459-L463 WeakPolarHBondContact O-CB 3.42Å; Q459-L463 PolarHBondContact O-N 3.02Å; F460-L463 WeakPolarHBondContact O-CB 3.35Å; F460-L463 PolarHBondContact O-N 3.27Å; L463-S465 VanDerWaalsContact C-N 3.32Å; L463-S465 PolarHBondContact O-N 2.87Å; L463-L466 CarbonylContact O-C 3.46Å; L463-L466 PolarHBondContact O-N 3.25Å; L463-I467 HydrophobicContact CD1-CD1 3.8Å; L463-I467 HydrophobicContact CD1-CG1 3.95Å; L463-I467 HydrophobicContact CD2-CD1 4.25Å; L463-I467 HydrophobicContact CG-CD1 3.75Å; L463-I467 HydrophobicContact CG-CG1 4.23Å; L463-I467 WeakPolarHBondContact O-CG1 3.06Å; L463-I467 PolarHBondContact O-N 3.42Å |
| 464 | M | 89.1 | Confident | 83.2 | Confident | 15 Ų | 15 | 56.6 Ų | 56.6 | 7% | 0.074 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -53.9 | -50.1 | 176.5 | -78.7 | -68 | -76.2 | 0 | 0 | 111.1 | L423 F460 S461 L466 I467 I468 L522 I525 | L423-M464 HydrophobicContact CD2-SD 3.65Å; F460-M464 HydrophobicContact CD1-CG 4Å; F460-M464 HydrophobicContact CE1-CG 3.66Å; F460-M464 HydrophobicContact CE1-SD 4.24Å; F460-M464 HydrophobicContact CZ-CG 4.34Å; F460-M464 WeakPolarHBondContact O-CG 3.44Å; F460-M464 PolarHBondContact O-N 3.28Å; S461-M464 PolarHBondContact O-N 2.9Å; M464-L466 VanDerWaalsContact C-N 3.27Å; M464-L466 PolarHBondContact O-N 3.49Å; M464-I467 PolarHBondContact O-N 3.07Å; M464-I468 VanDerWaalsContact O-CD1 3.28Å; M464-I468 WeakPolarHBondContact O-CD1 3.37Å; M464-I468 WeakPolarHBondContact O-CG1 3.45Å; M464-I468 PolarHBondContact O-N 2.85Å; M464-L522 HydrophobicContact CE-CD2 4.08Å; M464-L522 HydrophobicContact SD-CD2 3.89Å; M464-I525 HydrophobicContact CE-CD1 3.99Å; M464-I525 HydrophobicContact CE-CG1 4.08Å; M464-I525 HydrophobicContact SD-CD1 3.7Å; M464-I525 HydrophobicContact SD-CG1 4.35Å |
| 465 | S | 83.3 | Confident | 82.9 | Confident | 31 Ų | 31 | 54.6 Ų | 54.6 | 22% | 0.217 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -51.7 | -44.5 | 175.1 | -170.2 | 0 | 0 | 0 | 0 | 112.6 | S461 R462 L463 S469 R893 | S461-S465 VanDerWaalsContact O-CB 3.3Å; S461-S465 WeakPolarHBondContact O-CB 3.4Å; S461-S465 PolarHBondContact O-N 3.24Å; R462-S465 WeakPolarHBondContact O-CB 3.33Å; L463-S465 VanDerWaalsContact C-N 3.32Å; L463-S465 PolarHBondContact O-N 2.87Å; S465-S469 PolarHBondContact O-N 3.34Å; S465-R893 PolarHBondContact OG-NH1 2.95Å; S465-R893 PolarHBondContact OG-NH2 3.43Å |
| 466 | L | 84.7 | Confident | 82.7 | Confident | 33 Ų | 33 | 55.2 Ų | 55.2 | 17% | 0.173 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -77 | -37.6 | -179.6 | -71.5 | 169.4 | 0 | 0 | 0 | 113.2 | L434 L437 R462 L463 M464 S469 R470 | L434-L466 HydrophobicContact CD2-CB 3.74Å; L434-L466 HydrophobicContact CD2-CD1 4.38Å; L437-L466 HydrophobicContact CD1-CD1 3.76Å; L437-L466 HydrophobicContact CD2-CD1 3.81Å; L437-L466 HydrophobicContact CG-CD1 4.36Å; R462-L466 HydrophobicContact CG-CD1 4.3Å; R462-L466 WeakPolarHBondContact O-CB 3.36Å; R462-L466 VanDerWaalsContact O-CG 3.3Å; R462-L466 WeakPolarHBondContact O-CG 3.2Å; R462-L466 PolarHBondContact O-N 3.21Å; L463-L466 CarbonylContact O-C 3.46Å; L463-L466 PolarHBondContact O-N 3.25Å; M464-L466 VanDerWaalsContact C-N 3.27Å; M464-L466 PolarHBondContact O-N 3.49Å; L466-S469 WeakPolarHBondContact CA-OG 3.43Å; L466-S469 PolarHBondContact O-N 2.81Å; L466-S469 PolarHBondContact O-OG 3.34Å; L466-R470 WeakPolarHBondContact O-CG 3.09Å; L466-R470 PolarHBondContact O-N 3.48Å; L466-R470 VanDerWaalsContact O-N 3.17Å |
| 467 | I | 86.2 | Confident | 82.7 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.5 | -48.6 | 173.9 | -72.8 | 178.8 | 0 | 0 | 0 | 110 | L423 I427 I430 L434 L463 M464 S469 R470 I471 I525 | L423-I467 HydrophobicContact CD1-CD1 3.69Å; L423-I467 HydrophobicContact CD2-CD1 4.08Å; L423-I467 HydrophobicContact CG-CD1 3.87Å; I427-I467 HydrophobicContact CG2-CD1 4.26Å; I430-I467 HydrophobicContact CD1-CD1 3.96Å; I430-I467 HydrophobicContact CD1-CG1 3.95Å; I430-I467 HydrophobicContact CD1-CG2 4.06Å; L434-I467 HydrophobicContact CD1-CG1 3.95Å; L463-I467 HydrophobicContact CD1-CD1 3.8Å; L463-I467 HydrophobicContact CD1-CG1 3.95Å; L463-I467 HydrophobicContact CD2-CD1 4.25Å; L463-I467 HydrophobicContact CG-CD1 3.75Å; L463-I467 HydrophobicContact CG-CG1 4.23Å; L463-I467 WeakPolarHBondContact O-CG1 3.06Å; L463-I467 PolarHBondContact O-N 3.42Å; M464-I467 PolarHBondContact O-N 3.07Å; I467-S469 PolarHBondContact O-N 3.17Å; I467-R470 PolarHBondContact O-N 3.37Å; I467-I471 HydrophobicContact CG2-CB 4.48Å; I467-I471 WeakPolarHBondContact O-CB 3.38Å; I467-I471 WeakPolarHBondContact O-CG2 3.41Å; I467-I471 PolarHBondContact O-N 2.8Å; I467-I525 HydrophobicContact CG2-CG2 4.06Å |
| 468 | I | 82.6 | Confident | 82.9 | Confident | 6 Ų | 6 | 54.5 Ų | 54.5 | 3% | 0.031 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -57.1 | -36.2 | 176.8 | -64.9 | 157.2 | 0 | 0 | 0 | 110.8 | M464 T721 R725 P726 | M464-I468 VanDerWaalsContact O-CD1 3.28Å; M464-I468 WeakPolarHBondContact O-CD1 3.37Å; M464-I468 WeakPolarHBondContact O-CG1 3.45Å; M464-I468 PolarHBondContact O-N 2.85Å; I468-T721 HydrophobicContact CD1-CG2 4.01Å; I468-T721 VanDerWaalsContact CD1-OG1 3.25Å; I468-T721 WeakPolarHBondContact CD1-OG1 3.32Å; I468-T721 HydrophobicContact CG1-CG2 4.35Å; I468-R725 HydrophobicContact CG2-CG 4.15Å; I468-P726 WeakPolarHBondContact O-CD 3.46Å |
| 469 | S | 75.8 | Confident | 83.4 | Confident | 18 Ų | 18 | 49 Ų | 49 | 13% | 0.126 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -75.2 | -15.8 | 177.8 | 79.4 | 0 | 0 | 0 | 0 | 115.6 | S465 L466 I467 | S465-S469 PolarHBondContact O-N 3.34Å; L466-S469 WeakPolarHBondContact CA-OG 3.43Å; L466-S469 PolarHBondContact O-N 2.81Å; L466-S469 PolarHBondContact O-OG 3.34Å; I467-S469 PolarHBondContact O-N 3.17Å |
| 470 | R | 75.4 | Confident | 83.5 | Confident | 93 Ų | 93 | 46.9 Ų | 46.9 | 35% | 0.351 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -122.8 | -21.6 | -170.5 | -64.3 | 179.6 | -164.1 | -168.7 | 9.1 | 115.1 | D431 S433 L466 I467 | D431-R470 VanDerWaalsContact CG-NH1 3.35Å; D431-R470 IonicContact OD1-NH1 2.7Å; D431-R470 WeakPolarHBondContact OD2-CD 3.5Å; D431-R470 IonicContact OD2-CZ 2.66Å; D431-R470 IonicContact OD2-NE 3.56Å; D431-R470 IonicContact OD2-NH1 3.3Å; D431-R470 PolarHBondContact OD2-NH1 2.91Å; S433-R470 PolarHBondContact OG-NH1 3.01Å; L466-R470 WeakPolarHBondContact O-CG 3.09Å; L466-R470 PolarHBondContact O-N 3.48Å; L466-R470 VanDerWaalsContact O-N 3.17Å; I467-R470 PolarHBondContact O-N 3.37Å |
| 471 | I | 77.6 | Confident | 83.5 | Confident | 7 Ų | 7 | 47.1 Ų | 47.1 | 4% | 0.036 | 23% | 0.229 | C | C | . | . | trans | -64.3 | 136.9 | -176.2 | -167.9 | 169.6 | 0 | 0 | 0 | 111.6 | W426 I467 T475 I525 | W426-I471 HydrophobicContact CH2-CD1 3.92Å; W426-I471 HydrophobicContact CZ3-CD1 4.23Å; I467-I471 HydrophobicContact CG2-CB 4.48Å; I467-I471 WeakPolarHBondContact O-CB 3.38Å; I467-I471 WeakPolarHBondContact O-CG2 3.41Å; I467-I471 PolarHBondContact O-N 2.8Å; I471-T475 HydrophobicContact CD1-CG2 4.35Å; I471-T475 HydrophobicContact CG1-CG2 4.29Å; I471-I525 HydrophobicContact CD1-CG2 3.47Å; I471-I525 VanDerWaalsContact CD1-CG2 3.47Å | ||
| 472 | R | 73.8 | Confident | 83.7 | Confident | 194 Ų | 194 | 47.9 Ų | 47.9 | 73% | 0.732 | 22% | 0.224 | S | C | * | . | trans | -79.5 | 136.9 | 173.8 | -62.2 | -179.8 | -176.1 | 145.1 | 5.9 | 109.1 | D474 T475 | R472-D474 PolarHBondContact O-N 3.5Å; R472-D474 VanDerWaalsContact O-N 3.13Å; R472-T475 WeakPolarHBondContact O-CB 3.42Å; R472-T475 PolarHBondContact O-N 2.91Å; R472-T475 PolarHBondContact O-OG1 2.93Å | ||
| 473 | P | 71.5 | Confident | 84 | Confident | 13 Ų | 13 | 41.2 Ų | 41.2 | 8% | 0.084 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -14 | -176.8 | -26.3 | 38.8 | 0 | 0 | 0 | 115.6 | Y527 L851 | P473-Y527 HydrophobicContact CB-CD1 4.37Å; P473-Y527 HydrophobicContact CB-CD2 3.61Å; P473-Y527 HydrophobicContact CB-CE1 4.32Å; P473-Y527 HydrophobicContact CB-CE2 3.56Å; P473-Y527 HydrophobicContact CB-CG 3.99Å; P473-Y527 HydrophobicContact CG-CD2 4.11Å; P473-Y527 HydrophobicContact CG-CE1 4.42Å; P473-Y527 HydrophobicContact CG-CE2 3.51Å; P473-L851 HydrophobicContact CB-CD2 3.67Å; P473-L851 HydrophobicContact CG-CD1 3.96Å; P473-L851 HydrophobicContact CG-CD2 3.63Å; P473-L851 HydrophobicContact CG-CG 4.23Å |
| 474 | D | 75.1 | Confident | 84.1 | Confident | 100 Ų | 100 | 45 Ų | 45 | 54% | 0.535 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -2.7 | 170.6 | -60.9 | -12.7 | 0 | 0 | 0 | 112.6 | R472 K847 | R472-D474 PolarHBondContact O-N 3.5Å; R472-D474 VanDerWaalsContact O-N 3.13Å; D474-K847 IonicContact OD2-NZ 3.63Å; D474-K847 PolarHBondContact OD2-NZ 3.44Å |
| 475 | T | 82.2 | Confident | 84.2 | Confident | 44 Ų | 44 | 50 Ų | 50 | 27% | 0.27 | 24% | 0.241 | S | C | . | . | trans | -87.6 | 125.6 | -174.2 | -62.3 | 0 | 0 | 0 | 0 | 111.7 | W426 I471 R472 | W426-T475 HydrophobicContact CH2-CG2 3.47Å; W426-T475 VanDerWaalsContact CH2-CG2 3.47Å; W426-T475 HydrophobicContact CZ2-CG2 3.39Å; I471-T475 HydrophobicContact CD1-CG2 4.35Å; I471-T475 HydrophobicContact CG1-CG2 4.29Å; R472-T475 WeakPolarHBondContact O-CB 3.42Å; R472-T475 PolarHBondContact O-N 2.91Å; R472-T475 PolarHBondContact O-OG1 2.93Å | ||
| 476 | V | 84.9 | Confident | 84.3 | Confident | 54 Ų | 54 | 49.6 Ų | 49.6 | 33% | 0.327 | 24% | 0.238 | S | C | . | . | trans | -114.3 | 112.3 | -178.7 | 179.8 | 0 | 0 | 0 | 0 | 110.3 | Q478 Q481 | V476-Q478 PolarHBondContact O-N 2.84Å; V476-Q481 HydrophobicContact CG1-CG 3.35Å | ||
| 477 | W | 90 | Very high | 84.4 | Confident | 5 Ų | 5 | 49.2 Ų | 49.2 | 2% | 0.019 | 24% | 0.241 | C | C | . | . | trans | -86.4 | 109.9 | 179.9 | -179.4 | 43.5 | 0 | 0 | 0 | 110.5 | L419 L423 W426 P479 T480 L522 I525 T526 | L419-W477 HydrophobicContact CB-CH2 4.11Å; L419-W477 HydrophobicContact CD2-CH2 4.06Å; L419-W477 VanDerWaalsContact O-CH2 3.3Å; L419-W477 WeakPolarHBondContact O-CH2 3.34Å; L419-W477 VanDerWaalsContact O-CZ2 3.31Å; L419-W477 WeakPolarHBondContact O-CZ2 3.3Å; L423-W477 HydrophobicContact CB-CH2 3.88Å; L423-W477 HydrophobicContact CB-CZ2 3.72Å; L423-W477 HydrophobicContact CD1-CH2 4.21Å; L423-W477 HydrophobicContact CD1-CZ2 4.13Å; L423-W477 HydrophobicContact CD1-CZ3 4.38Å; L423-W477 HydrophobicContact CG-CH2 4.49Å; W426-W477 AromaticContact CD2-CD1 3.4Å; W426-W477 VanDerWaalsContact CD2-CD1 3.4Å; W426-W477 HydrophobicContact CD2-CG 4.1Å; W426-W477 AromaticContact CD2-NE1 3.89Å; W426-W477 AromaticContact CE2-CD1 3.85Å; W426-W477 HydrophobicContact CE3-CB 4.27Å; W426-W477 AromaticContact CE3-CD1 3.47Å; W426-W477 VanDerWaalsContact CE3-CD1 3.47Å; W426-W477 HydrophobicContact CE3-CD2 4.23Å; W426-W477 AromaticContact CE3-CG 3.77Å; W426-W477 HydrophobicContact CE3-CG 3.77Å; W426-W477 AromaticContact CE3-NE1 3.85Å; W426-W477 AromaticContact CG-CD1 3.79Å; W426-W477 AromaticContact CG-NE1 3.96Å; W426-W477 HydrophobicContact CH2-CB 3.9Å; W426-W477 HydrophobicContact CH2-CG 4.29Å; W426-W477 HydrophobicContact CZ2-CB 4.22Å; W426-W477 HydrophobicContact CZ3-CB 3.91Å; W426-W477 HydrophobicContact CZ3-CD2 4.43Å; W426-W477 AromaticContact CZ3-CG 3.87Å; W426-W477 HydrophobicContact CZ3-CG 3.87Å; W477-P479 VanDerWaalsContact C-CD 3.49Å; W477-P479 HydrophobicContact CZ2-CB 4.43Å; W477-P479 HydrophobicContact CZ2-CG 4.36Å; W477-T480 HydrophobicContact CD2-CG2 4.04Å; W477-T480 HydrophobicContact CE3-CG2 3.22Å; W477-T480 HydrophobicContact CH2-CG2 4.25Å; W477-T480 HydrophobicContact CZ3-CG2 3.35Å; W477-T480 PolarHBondContact O-N 3Å; W477-T480 VanDerWaalsContact O-N 3.13Å; W477-T480 PolarHBondContact O-OG1 2.94Å; W477-L522 HydrophobicContact CZ3-CB 4.47Å; W477-I525 HydrophobicContact CE3-CD1 4.28Å; W477-I525 HydrophobicContact CZ3-CD1 3.97Å; W477-T526 PolarHBondContact N-OG1 3.36Å | ||
| 478 | Q | 89.9 | Confident | 84.5 | Confident | 121 Ų | 121 | 49.3 Ų | 49.3 | 57% | 0.565 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -54.9 | -41.6 | -165.6 | -63 | -63.8 | -74.5 | 0 | 0 | 115.9 | V476 T480 Q481 Q482 | V476-Q478 PolarHBondContact O-N 2.84Å; Q478-T480 PolarHBondContact O-N 2.98Å; Q478-Q481 PolarHBondContact O-N 3.07Å; Q478-Q481 VanDerWaalsContact O-N 3.08Å; Q478-Q482 PolarHBondContact O-N 3.19Å |
| 479 | P | 90.7 | Very high | 84.8 | Confident | 18 Ų | 18 | 49.5 Ų | 49.5 | 12% | 0.117 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -53.4 | -39.7 | 176.6 | -30.1 | 38.1 | 0 | 0 | 0 | 113.7 | F418 L419 W477 Q482 L483 | F418-P479 HydrophobicContact CE1-CB 4.08Å; L419-P479 HydrophobicContact CD2-CB 3.85Å; W477-P479 VanDerWaalsContact C-CD 3.49Å; W477-P479 HydrophobicContact CZ2-CB 4.43Å; W477-P479 HydrophobicContact CZ2-CG 4.36Å; P479-Q482 PolarHBondContact O-N 3.31Å; P479-L483 PolarHBondContact O-N 3.4Å |
| 480 | T | 91 | Very high | 85.2 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -73.7 | -28.7 | -179.6 | 62 | 0 | 0 | 0 | 0 | 113.1 | L419 W477 Q478 R484 M523 T526 L529 | L419-T480 HydrophobicContact CD2-CG2 4.23Å; W477-T480 HydrophobicContact CD2-CG2 4.04Å; W477-T480 HydrophobicContact CE3-CG2 3.22Å; W477-T480 HydrophobicContact CH2-CG2 4.25Å; W477-T480 HydrophobicContact CZ3-CG2 3.35Å; W477-T480 PolarHBondContact O-N 3Å; W477-T480 VanDerWaalsContact O-N 3.13Å; W477-T480 PolarHBondContact O-OG1 2.94Å; Q478-T480 PolarHBondContact O-N 2.98Å; T480-R484 WeakPolarHBondContact O-CB 2.83Å; T480-R484 PolarHBondContact O-N 2.59Å; T480-R484 VanDerWaalsContact O-N 3.11Å; T480-M523 HydrophobicContact CG2-CB 4.47Å; T480-M523 HydrophobicContact CG2-CG 4.23Å; T480-T526 PolarHBondContact OG1-OG1 3.4Å; T480-L529 VanDerWaalsContact CB-CD1 3.47Å; T480-L529 WeakPolarHBondContact O-CD1 3.26Å; T480-L529 WeakPolarHBondContact OG1-CD1 3.4Å |
| 481 | Q | 89.8 | Confident | 85.7 | Confident | 23 Ų | 23 | 49.2 Ų | 49.2 | 11% | 0.107 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -72.6 | -41.2 | 170.3 | -69 | -64.6 | -23.9 | 0 | 0 | 111.5 | V476 Q478 L483 R484 D485 | V476-Q481 HydrophobicContact CG1-CG 3.35Å; Q478-Q481 PolarHBondContact O-N 3.07Å; Q478-Q481 VanDerWaalsContact O-N 3.08Å; Q481-L483 VanDerWaalsContact C-N 3.31Å; Q481-L483 PolarHBondContact O-N 3.13Å; Q481-R484 PolarHBondContact O-N 3.21Å; Q481-R484 VanDerWaalsContact OE1-NH1 3.1Å; Q481-D485 WeakPolarHBondContact O-CB 3.29Å; Q481-D485 VanDerWaalsContact O-CG 3.27Å; Q481-D485 PolarHBondContact O-N 3.31Å |
| 482 | Q | 90 | Very high | 86.3 | Confident | 89 Ų | 89 | 49.2 Ų | 49.2 | 42% | 0.416 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -58.8 | -43.3 | 174.9 | -69.4 | 175.3 | -7.6 | 0 | 0 | 111.7 | L377 Q478 P479 D485 C486 | L377-Q482 HydrophobicContact CD2-CB 3.76Å; Q478-Q482 PolarHBondContact O-N 3.19Å; P479-Q482 PolarHBondContact O-N 3.31Å; Q482-D485 PolarHBondContact O-N 3.08Å; Q482-C486 PolarHBondContact O-N 3.06Å; Q482-C486 VanDerWaalsContact O-N 3.15Å; Q482-C486 PolarHBondContact O-SG 3.26Å |
| 483 | L | 91.4 | Very high | 86.9 | Confident | 2 Ų | 2 | 40.1 Ų | 40.1 | 1% | 0.01 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65.6 | -39 | 177.4 | -172.2 | 56 | 0 | 0 | 0 | 112.3 | L377 Y381 I415 L419 P479 Q481 C486 G487 A488 I519 M523 | L377-L483 HydrophobicContact CD1-CD1 4.32Å; L377-L483 HydrophobicContact CD2-CB 4.32Å; Y381-L483 HydrophobicContact CD2-CD1 4.23Å; I415-L483 HydrophobicContact CD1-CD1 4.42Å; I415-L483 HydrophobicContact CG2-CD1 4.47Å; I415-L483 HydrophobicContact CG2-CD2 3.94Å; L419-L483 HydrophobicContact CD1-CD2 4Å; P479-L483 PolarHBondContact O-N 3.4Å; Q481-L483 VanDerWaalsContact C-N 3.31Å; Q481-L483 PolarHBondContact O-N 3.13Å; L483-C486 PolarHBondContact O-N 2.32Å; L483-G487 PolarHBondContact O-N 3.23Å; L483-A488 HydrophobicContact CD1-CB 3.56Å; L483-A488 HydrophobicContact CG-CB 3.62Å; L483-A488 VanDerWaalsContact O-CB 3.31Å; L483-A488 WeakPolarHBondContact O-CB 3.46Å; L483-A488 PolarHBondContact O-N 3.39Å; L483-I519 HydrophobicContact CD2-CG2 3.93Å; L483-M523 HydrophobicContact CD2-CG 4.22Å; L483-M523 HydrophobicContact CD2-SD 3.81Å; L483-M523 HydrophobicContact CG-CE 4.49Å; L483-M523 HydrophobicContact CG-SD 4.22Å |
| 484 | R | 90.7 | Very high | 87.4 | Confident | 80 Ų | 80 | 45.6 Ų | 45.6 | 30% | 0.302 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -69.4 | -42.4 | 174.3 | 175.6 | -104.6 | -159.6 | 159.8 | 2.3 | 112.9 | T480 Q481 C486 G487 I489 M523 L529 E532 | T480-R484 WeakPolarHBondContact O-CB 2.83Å; T480-R484 PolarHBondContact O-N 2.59Å; T480-R484 VanDerWaalsContact O-N 3.11Å; Q481-R484 PolarHBondContact O-N 3.21Å; Q481-R484 VanDerWaalsContact OE1-NH1 3.1Å; R484-C486 PolarHBondContact O-N 2.99Å; R484-G487 PolarHBondContact O-N 3.06Å; R484-I489 HydrophobicContact CG-CD1 3.99Å; R484-M523 HydrophobicContact CB-CE 4.02Å; R484-L529 HydrophobicContact CB-CD2 3.84Å; R484-L529 HydrophobicContact CG-CD2 3.61Å; R484-E532 WeakPolarHBondContact CG-OE1 3.41Å; R484-E532 IonicContact CZ-OE1 3.35Å; R484-E532 IonicContact CZ-OE2 3.05Å; R484-E532 IonicContact NE-OE1 2.76Å; R484-E532 PolarHBondContact NE-OE1 3.22Å; R484-E532 IonicContact NE-OE2 2.75Å; R484-E532 PolarHBondContact NE-OE2 3.31Å; R484-E532 IonicContact NH2-OE1 3.19Å; R484-E532 IonicContact NH2-OE2 3.83Å; R484-E532 PolarHBondContact NH2-OE2 3.32Å |
| 485 | D | 90.9 | Very high | 87.8 | Confident | 119 Ų | 119 | 40.9 Ų | 40.9 | 64% | 0.636 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -64.3 | -20.5 | 176 | -74 | -13.8 | 0 | 0 | 0 | 112.7 | Q481 Q482 | Q481-D485 WeakPolarHBondContact O-CB 3.29Å; Q481-D485 VanDerWaalsContact O-CG 3.27Å; Q481-D485 PolarHBondContact O-N 3.31Å; Q482-D485 PolarHBondContact O-N 3.08Å |
| 486 | C | 86.6 | Confident | 88 | Confident | 23 Ų | 23 | 38.8 Ų | 38.8 | 16% | 0.155 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -79 | -28 | 170.7 | -67.3 | 0 | 0 | 0 | 0 | 113.4 | Y381 Q482 L483 R484 | Y381-C486 HydrophobicContact CD1-CB 3.53Å; Y381-C486 HydrophobicContact CD2-CB 4.12Å; Y381-C486 HydrophobicContact CE1-CB 3.64Å; Y381-C486 VanDerWaalsContact CE1-O 3.23Å; Y381-C486 WeakPolarHBondContact CE1-O 3.37Å; Y381-C486 HydrophobicContact CE2-CB 4.26Å; Y381-C486 HydrophobicContact CG-CB 3.75Å; Y381-C486 VanDerWaalsContact CZ-O 3.24Å; Y381-C486 PolarHBondContact OH-O 2.82Å; Q482-C486 PolarHBondContact O-N 3.06Å; Q482-C486 VanDerWaalsContact O-N 3.15Å; Q482-C486 PolarHBondContact O-SG 3.26Å; L483-C486 PolarHBondContact O-N 2.32Å; R484-C486 PolarHBondContact O-N 2.99Å |
| 487 | G | 86 | Confident | 87.7 | Confident | 24 Ų | 24 | 36.3 Ų | 36.3 | 25% | 0.247 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 116.3 | 10.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | Y381 L483 R484 I489 D490 | Y381-G487 WeakPolarHBondContact OH-CA 3.49Å; L483-G487 PolarHBondContact O-N 3.23Å; R484-G487 PolarHBondContact O-N 3.06Å; G487-I489 VanDerWaalsContact C-N 3.27Å; G487-I489 PolarHBondContact O-N 3Å; G487-D490 PolarHBondContact O-N 3.01Å |
| 488 | A | 88.6 | Confident | 87 | Confident | 3 Ų | 3 | 38.3 Ų | 38.3 | 3% | 0.025 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.8 | -21.1 | -167.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | Y381 L483 V491 L492 | Y381-A488 HydrophobicContact CD2-CB 4.07Å; Y381-A488 HydrophobicContact CE2-CB 3.81Å; L483-A488 HydrophobicContact CD1-CB 3.56Å; L483-A488 HydrophobicContact CG-CB 3.62Å; L483-A488 VanDerWaalsContact O-CB 3.31Å; L483-A488 WeakPolarHBondContact O-CB 3.46Å; L483-A488 PolarHBondContact O-N 3.39Å; A488-V491 PolarHBondContact O-N 3.13Å; A488-L492 HydrophobicContact CB-CD1 4.37Å; A488-L492 WeakPolarHBondContact O-CB 3.49Å; A488-L492 VanDerWaalsContact O-CG 3.23Å; A488-L492 WeakPolarHBondContact O-CG 3.35Å; A488-L492 PolarHBondContact O-N 3.45Å |
| 489 | I | 89.5 | Confident | 86.5 | Confident | 9 Ų | 9 | 32.5 Ų | 32.5 | 5% | 0.046 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63.2 | -46.1 | -179.7 | -60.1 | 174.7 | 0 | 0 | 0 | 110.5 | R484 G487 V491 Y493 F520 M523 E532 I533 A536 | R484-I489 HydrophobicContact CG-CD1 3.99Å; G487-I489 VanDerWaalsContact C-N 3.27Å; G487-I489 PolarHBondContact O-N 3Å; I489-V491 PolarHBondContact O-N 3.23Å; I489-Y493 HydrophobicContact CG2-CD2 4Å; I489-Y493 HydrophobicContact CG2-CE2 4.1Å; I489-Y493 WeakPolarHBondContact O-CD2 3.47Å; I489-Y493 PolarHBondContact O-N 3.17Å; I489-F520 HydrophobicContact CG2-CE1 4.39Å; I489-M523 HydrophobicContact CD1-CE 4.35Å; I489-M523 HydrophobicContact CG1-CE 3.88Å; I489-E532 HydrophobicContact CD1-CB 4.34Å; I489-E532 HydrophobicContact CD1-CG 3.91Å; I489-I533 HydrophobicContact CD1-CG1 3.81Å; I489-I533 HydrophobicContact CG1-CG1 3.99Å; I489-I533 HydrophobicContact CG2-CG1 4.18Å; I489-A536 HydrophobicContact CG2-CB 4.15Å |
| 490 | D | 84.2 | Confident | 85.8 | Confident | 85 Ų | 85 | 32.3 Ų | 32.3 | 46% | 0.455 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -67.1 | -37.6 | 179.3 | -56.9 | -24.4 | 0 | 0 | 0 | 111.4 | G487 R494 | G487-D490 PolarHBondContact O-N 3.01Å; D490-R494 VanDerWaalsContact O-CG 3.31Å; D490-R494 WeakPolarHBondContact O-CG 3.48Å; D490-R494 PolarHBondContact O-N 2.84Å; D490-R494 VanDerWaalsContact O-N 3.12Å |
| 491 | V | 85.1 | Confident | 84.9 | Confident | 21 Ų | 21 | 34.7 Ų | 34.7 | 13% | 0.127 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -71.7 | -46.7 | -177.5 | -179.6 | 0 | 0 | 0 | 0 | 111.4 | Y381 I384 A488 I489 Y493 R494 I495 | Y381-V491 HydrophobicContact CE2-CG2 4.21Å; I384-V491 HydrophobicContact CG2-CG1 3.58Å; A488-V491 PolarHBondContact O-N 3.13Å; I489-V491 PolarHBondContact O-N 3.23Å; V491-Y493 VanDerWaalsContact C-N 3.32Å; V491-Y493 PolarHBondContact O-N 3.17Å; V491-R494 PolarHBondContact O-N 3.01Å; V491-R494 VanDerWaalsContact O-N 3.17Å; V491-I495 HydrophobicContact CG1-CD1 4.24Å; V491-I495 WeakPolarHBondContact O-CG1 3.35Å; V491-I495 PolarHBondContact O-N 3.37Å |
| 492 | L | 89.7 | Confident | 83.8 | Confident | 6 Ų | 6 | 34.3 Ų | 34.3 | 3% | 0.031 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.5 | -41.3 | 177.2 | -70.4 | 168.1 | 0 | 0 | 0 | 111.1 | L412 A488 R494 I495 I496 A516 I519 F520 M523 | L412-L492 HydrophobicContact CD2-CD2 3.65Å; A488-L492 HydrophobicContact CB-CD1 4.37Å; A488-L492 WeakPolarHBondContact O-CB 3.49Å; A488-L492 VanDerWaalsContact O-CG 3.23Å; A488-L492 WeakPolarHBondContact O-CG 3.35Å; A488-L492 PolarHBondContact O-N 3.45Å; L492-R494 PolarHBondContact O-N 3.34Å; L492-I495 PolarHBondContact O-N 3.47Å; L492-I496 WeakPolarHBondContact O-CD1 3.37Å; L492-I496 WeakPolarHBondContact O-CG1 3.27Å; L492-I496 PolarHBondContact O-N 2.92Å; L492-I496 VanDerWaalsContact O-N 3.08Å; L492-A516 HydrophobicContact CD2-CB 3.93Å; L492-I519 HydrophobicContact CD1-CB 4.35Å; L492-I519 HydrophobicContact CD1-CG2 3.67Å; L492-I519 HydrophobicContact CD2-CD1 4.48Å; L492-F520 HydrophobicContact CB-CD1 4.49Å; L492-F520 HydrophobicContact CB-CE1 3.66Å; L492-F520 HydrophobicContact CB-CE2 4.14Å; L492-F520 HydrophobicContact CB-CZ 3.45Å; L492-F520 VanDerWaalsContact CB-CZ 3.45Å; L492-F520 HydrophobicContact CD1-CD1 3.9Å; L492-F520 HydrophobicContact CD1-CE1 3.67Å; L492-F520 HydrophobicContact CD1-CZ 4.33Å; L492-F520 HydrophobicContact CG-CE1 4.32Å; L492-M523 HydrophobicContact CD1-SD 4.33Å |
| 493 | Y | 87.7 | Confident | 82.2 | Confident | 4 Ų | 4 | 38.8 Ų | 38.8 | 2% | 0.016 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -66.2 | -33.1 | 175.2 | -88.1 | -53.9 | 0 | 0 | 0 | 113.6 | I489 V491 A497 F520 I533 A536 V538 G693 M696 L697 | I489-Y493 HydrophobicContact CG2-CD2 4Å; I489-Y493 HydrophobicContact CG2-CE2 4.1Å; I489-Y493 WeakPolarHBondContact O-CD2 3.47Å; I489-Y493 PolarHBondContact O-N 3.17Å; V491-Y493 VanDerWaalsContact C-N 3.32Å; V491-Y493 PolarHBondContact O-N 3.17Å; Y493-A497 VanDerWaalsContact O-CB 3.3Å; Y493-A497 WeakPolarHBondContact O-CB 3.48Å; Y493-A497 PolarHBondContact O-N 2.93Å; Y493-F520 AromaticContact CD1-CE2 3.79Å; Y493-F520 HydrophobicContact CD1-CE2 3.79Å; Y493-F520 HydrophobicContact CD1-CZ 4.02Å; Y493-F520 HydrophobicContact CD2-CE1 4.43Å; Y493-F520 HydrophobicContact CD2-CE2 4.1Å; Y493-F520 AromaticContact CD2-CZ 3.54Å; Y493-F520 HydrophobicContact CD2-CZ 3.54Å; Y493-F520 AromaticContact CE1-CE2 3.63Å; Y493-F520 HydrophobicContact CE1-CE2 3.63Å; Y493-F520 HydrophobicContact CE1-CZ 4.09Å; Y493-F520 HydrophobicContact CE2-CE1 4.37Å; Y493-F520 AromaticContact CE2-CE2 3.97Å; Y493-F520 HydrophobicContact CE2-CE2 3.97Å; Y493-F520 AromaticContact CE2-CZ 3.63Å; Y493-F520 HydrophobicContact CE2-CZ 3.63Å; Y493-F520 HydrophobicContact CG-CE2 4.01Å; Y493-F520 AromaticContact CG-CZ 3.74Å; Y493-F520 HydrophobicContact CG-CZ 3.74Å; Y493-F520 AromaticContact CZ-CE2 3.74Å; Y493-F520 AromaticContact CZ-CZ 3.92Å; Y493-I533 HydrophobicContact CE2-CG2 4Å; Y493-I533 WeakPolarHBondContact OH-CG2 3.3Å; Y493-I533 PolarHBondContact OH-O 3.19Å; Y493-I533 VanDerWaalsContact OH-O 3.12Å; Y493-A536 HydrophobicContact CD2-CB 4.06Å; Y493-A536 HydrophobicContact CE2-CB 3.78Å; Y493-V538 HydrophobicContact CD1-CG2 4.03Å; Y493-V538 HydrophobicContact CD2-CG2 4.43Å; Y493-V538 HydrophobicContact CG-CG2 3.84Å; Y493-G693 VanDerWaalsContact CE1-C 3.43Å; Y493-G693 VanDerWaalsContact CE1-CA 3.44Å; Y493-G693 WeakPolarHBondContact CE1-O 3.39Å; Y493-M696 HydrophobicContact CD1-CE 3.89Å; Y493-L697 HydrophobicContact CE1-CD1 3.9Å; Y493-L697 HydrophobicContact CE1-CG 4.3Å |
| 494 | R | 81.5 | Confident | 80.7 | Confident | 127 Ų | 127 | 44.3 Ų | 44.3 | 48% | 0.479 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -68 | -40.5 | 173 | -72.7 | 174.8 | -146.1 | -175.2 | 3.9 | 112.9 | L391 D490 V491 L492 I496 A497 R498 | L391-R494 HydrophobicContact CD1-CB 4.2Å; D490-R494 VanDerWaalsContact O-CG 3.31Å; D490-R494 WeakPolarHBondContact O-CG 3.48Å; D490-R494 PolarHBondContact O-N 2.84Å; D490-R494 VanDerWaalsContact O-N 3.12Å; V491-R494 PolarHBondContact O-N 3.01Å; V491-R494 VanDerWaalsContact O-N 3.17Å; L492-R494 PolarHBondContact O-N 3.34Å; R494-I496 VanDerWaalsContact C-N 3.33Å; R494-A497 PolarHBondContact O-N 2.84Å; R494-R498 WeakPolarHBondContact O-CB 3.43Å; R494-R498 PolarHBondContact O-N 2.87Å |
| 495 | I | 83.1 | Confident | 79.5 | Confident | 2 Ų | 2 | 46.3 Ų | 46.3 | 1% | 0.01 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.2 | -47.9 | 175.1 | -68.5 | 165.4 | 0 | 0 | 0 | 109.8 | I384 L391 W405 V408 V491 L492 R498 N499 | I384-I495 HydrophobicContact CG2-CD1 3.69Å; L391-I495 HydrophobicContact CD1-CG1 4.46Å; W405-I495 HydrophobicContact CZ3-CG2 4.37Å; V408-I495 HydrophobicContact CG1-CD1 4.2Å; V491-I495 HydrophobicContact CG1-CD1 4.24Å; V491-I495 WeakPolarHBondContact O-CG1 3.35Å; V491-I495 PolarHBondContact O-N 3.37Å; L492-I495 PolarHBondContact O-N 3.47Å; I495-R498 PolarHBondContact O-N 2.89Å; I495-N499 PolarHBondContact O-N 2.83Å |
| 496 | I | 85.7 | Confident | 78.3 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.1 | -48.5 | 176.4 | -64.5 | 157.3 | 0 | 0 | 0 | 110.3 | L492 R494 R498 N499 V500 T513 A516 V517 F520 M696 L697 I700 | L492-I496 WeakPolarHBondContact O-CD1 3.37Å; L492-I496 WeakPolarHBondContact O-CG1 3.27Å; L492-I496 PolarHBondContact O-N 2.92Å; L492-I496 VanDerWaalsContact O-N 3.08Å; R494-I496 VanDerWaalsContact C-N 3.33Å; I496-R498 VanDerWaalsContact C-N 3.34Å; I496-R498 PolarHBondContact O-N 3.44Å; I496-N499 PolarHBondContact O-N 3Å; I496-N499 VanDerWaalsContact O-N 3.16Å; I496-V500 HydrophobicContact CG2-CG2 4.29Å; I496-V500 VanDerWaalsContact O-CG2 3.3Å; I496-V500 WeakPolarHBondContact O-CG2 3.33Å; I496-V500 PolarHBondContact O-N 3.14Å; I496-T513 HydrophobicContact CG1-CG2 4.48Å; I496-T513 HydrophobicContact CG2-CG2 4.38Å; I496-A516 HydrophobicContact CD1-CB 3.82Å; I496-A516 HydrophobicContact CG1-CB 3.84Å; I496-V517 HydrophobicContact CD1-CG2 4.3Å; I496-F520 HydrophobicContact CD1-CD2 4.14Å; I496-F520 HydrophobicContact CD1-CE2 3.61Å; I496-M696 HydrophobicContact CB-CE 4.23Å; I496-M696 HydrophobicContact CG2-CE 3.85Å; I496-L697 HydrophobicContact CD1-CD2 4.17Å; I496-L697 HydrophobicContact CG2-CD2 3.97Å; I496-I700 HydrophobicContact CG2-CD1 3.89Å |
| 497 | A | 78.9 | Confident | 77.4 | Confident | 2 Ų | 2 | 44.5 Ų | 44.5 | 2% | 0.017 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -58.5 | -42.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113 | Y493 R494 V500 Y501 V538 M696 | Y493-A497 VanDerWaalsContact O-CB 3.3Å; Y493-A497 WeakPolarHBondContact O-CB 3.48Å; Y493-A497 PolarHBondContact O-N 2.93Å; R494-A497 PolarHBondContact O-N 2.84Å; A497-V500 PolarHBondContact O-N 3.22Å; A497-Y501 HydrophobicContact CB-CD2 4.23Å; A497-Y501 HydrophobicContact CB-CE2 4.23Å; A497-Y501 WeakPolarHBondContact O-CD2 3.41Å; A497-Y501 PolarHBondContact O-N 2.74Å; A497-V538 HydrophobicContact CB-CG1 3.99Å; A497-M696 HydrophobicContact CB-CE 4Å; A497-M696 HydrophobicContact CB-SD 3.62Å |
| 498 | R | 76.9 | Confident | 76.8 | Confident | 46 Ų | 46 | 45.1 Ų | 45.1 | 17% | 0.174 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -69.6 | -33.8 | 177.6 | -172 | 54.2 | 163.7 | -160.1 | -12.2 | 112.1 | L391 E393 D394 W405 R494 I495 I496 V500 A502 W506 | L391-R498 HydrophobicContact CD2-CB 3.81Å; L391-R498 HydrophobicContact CD2-CG 3.97Å; E393-R498 PolarHBondContact O-NH2 3.02Å; D394-R498 IonicContact OD1-CZ 2.68Å; D394-R498 IonicContact OD1-NH1 2.65Å; D394-R498 PolarHBondContact OD1-NH1 3.07Å; D394-R498 IonicContact OD1-NH2 2.69Å; W405-R498 HydrophobicContact CH2-CG 4.42Å; W405-R498 HydrophobicContact CZ2-CG 4.34Å; R494-R498 WeakPolarHBondContact O-CB 3.43Å; R494-R498 PolarHBondContact O-N 2.87Å; I495-R498 PolarHBondContact O-N 2.89Å; I496-R498 VanDerWaalsContact C-N 3.34Å; I496-R498 PolarHBondContact O-N 3.44Å; R498-V500 VanDerWaalsContact C-N 3.31Å; R498-A502 WeakPolarHBondContact O-CB 3.26Å; R498-A502 PolarHBondContact O-N 2.89Å; R498-W506 HydrophobicContact CG-CH2 3.86Å; R498-W506 HydrophobicContact CG-CZ2 4.13Å; R498-W506 WeakPolarHBondContact O-CH2 3.33Å |
| 499 | N | 79.4 | Confident | 76.5 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -70.4 | -25.8 | 171.3 | -72 | -8.5 | 0 | 0 | 0 | 112.9 | W405 I495 I496 W506 R509 T513 W707 | W405-N499 VanDerWaalsContact CH2-OD1 3.26Å; W405-N499 WeakPolarHBondContact CH2-OD1 3.34Å; W405-N499 WeakPolarHBondContact CZ3-OD1 3.19Å; I495-N499 PolarHBondContact O-N 2.83Å; I496-N499 PolarHBondContact O-N 3Å; I496-N499 VanDerWaalsContact O-N 3.16Å; N499-W506 WeakPolarHBondContact OD1-CZ2 3.48Å; N499-W506 PolarHBondContact OD1-NE1 2.99Å; N499-W506 VanDerWaalsContact OD1-NE1 3.11Å; N499-R509 HydrophobicContact CB-CG 4.2Å; N499-R509 PolarHBondContact ND2-O 3.3Å; N499-R509 VanDerWaalsContact ND2-O 3.11Å; N499-R509 PolarHBondContact O-NE 2.72Å; N499-R509 PolarHBondContact O-NH2 3.18Å; N499-T513 WeakPolarHBondContact CB-OG1 3.37Å; N499-T513 PolarHBondContact ND2-OG1 2.79Å; N499-W707 HydrophobicContact CB-CH2 4.17Å; N499-W707 WeakPolarHBondContact O-CH2 3.46Å |
| 500 | V | 76 | Confident | 76.4 | Confident | 14 Ų | 14 | 46.3 Ų | 46.3 | 9% | 0.085 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -80.5 | -59.7 | 177.6 | 173 | 0 | 0 | 0 | 0 | 111.5 | I496 A497 R498 A502 I700 W707 | I496-V500 HydrophobicContact CG2-CG2 4.29Å; I496-V500 VanDerWaalsContact O-CG2 3.3Å; I496-V500 WeakPolarHBondContact O-CG2 3.33Å; I496-V500 PolarHBondContact O-N 3.14Å; A497-V500 PolarHBondContact O-N 3.22Å; R498-V500 VanDerWaalsContact C-N 3.31Å; V500-A502 VanDerWaalsContact C-N 3.34Å; V500-A502 PolarHBondContact O-N 3.16Å; V500-I700 HydrophobicContact CG2-CD1 3.46Å; V500-I700 VanDerWaalsContact CG2-CD1 3.46Å; V500-I700 HydrophobicContact CG2-CG1 3.5Å; V500-I700 VanDerWaalsContact CG2-CG1 3.5Å; V500-W707 HydrophobicContact CG2-CH2 4.38Å; V500-W707 HydrophobicContact CG2-CZ2 4.01Å |
| 501 | Y | 70.2 | Confident | 76.5 | Confident | 50 Ų | 50 | 44.3 Ų | 44.3 | 20% | 0.196 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -87.1 | 7.2 | -168.4 | -55.2 | -66 | 0 | 0 | 0 | 114.9 | A497 F541 T543 M696 | A497-Y501 HydrophobicContact CB-CD2 4.23Å; A497-Y501 HydrophobicContact CB-CE2 4.23Å; A497-Y501 WeakPolarHBondContact O-CD2 3.41Å; A497-Y501 PolarHBondContact O-N 2.74Å; Y501-F541 HydrophobicContact CD2-CD2 4.09Å; Y501-T543 HydrophobicContact CD1-CG2 4.32Å; Y501-M696 HydrophobicContact CE2-CG 4.33Å; Y501-M696 HydrophobicContact CE2-SD 3.67Å |
| 502 | A | 67.4 | Low | 76.7 | Confident | 15 Ų | 15 | 43.3 Ų | 43.3 | 12% | 0.124 | 21% | 0.212 | C | C | . | . | trans | -92.9 | 130.4 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | R498 V500 N504 W506 | R498-A502 WeakPolarHBondContact O-CB 3.26Å; R498-A502 PolarHBondContact O-N 2.89Å; V500-A502 VanDerWaalsContact C-N 3.34Å; V500-A502 PolarHBondContact O-N 3.16Å; A502-N504 VanDerWaalsContact C-N 3.26Å; A502-N504 PolarHBondContact O-N 3.3Å; A502-W506 HydrophobicContact CB-CH2 3.25Å; A502-W506 HydrophobicContact CB-CZ2 4.24Å; A502-W506 HydrophobicContact CB-CZ3 3.55Å | ||
| 503 | H | 56.6 | Low | 76.7 | Confident | 183 Ų | 183 | 43 Ų | 43 | 85% | 0.847 | 21% | 0.211 | S | C | * | . | S | Bend | trans | -68.4 | -21.3 | -179.3 | -55.9 | -70.8 | 0 | 0 | 0 | 113.8 | ||
| 504 | N | 60.4 | Low | 76.9 | Confident | 117 Ų | 117 | 44.8 Ų | 44.8 | 63% | 0.626 | 22% | 0.218 | S | C | * | . | S | Bend | trans | -99 | 121 | -174.2 | -61.6 | 22.1 | 0 | 0 | 0 | 110.8 | A502 W506 | A502-N504 VanDerWaalsContact C-N 3.26Å; A502-N504 PolarHBondContact O-N 3.3Å; N504-W506 PolarHBondContact O-N 3.12Å |
| 505 | N | 64.9 | Low | 77.5 | Confident | 123 Ų | 123 | 39 Ų | 39 | 66% | 0.658 | 20% | 0.196 | S | C | * | . | trans | -72.4 | 115.1 | 170.2 | -78.5 | -52.6 | 0 | 0 | 0 | 110.6 | R509 | N505-R509 WeakPolarHBondContact OD1-CD 3.37Å; N505-R509 PolarHBondContact OD1-NH1 2.66Å | ||
| 506 | W | 66.5 | Low | 78 | Confident | 44 Ų | 44 | 38.9 Ų | 38.9 | 17% | 0.167 | 20% | 0.195 | C | C | . | . | trans | -102.3 | 155.3 | 169.4 | 46.6 | 75.7 | 0 | 0 | 0 | 112 | W405 R498 N499 A502 N504 C508 R509 | W405-W506 AromaticContact CD2-CD1 3.97Å; W405-W506 AromaticContact CD2-NE1 3.77Å; W405-W506 AromaticContact CE2-CD1 3.99Å; W405-W506 AromaticContact CE2-CE2 3.57Å; W405-W506 AromaticContact CE2-CZ2 3.91Å; W405-W506 AromaticContact CE2-NE1 3.56Å; W405-W506 AromaticContact CE3-NE1 3.99Å; W405-W506 AromaticContact CH2-CE2 3.92Å; W405-W506 AromaticContact CH2-CZ2 3.68Å; W405-W506 HydrophobicContact CH2-CZ2 3.68Å; W405-W506 AromaticContact CH2-NE1 3.85Å; W405-W506 HydrophobicContact CZ2-CD2 4.2Å; W405-W506 AromaticContact CZ2-CE2 3.39Å; W405-W506 AromaticContact CZ2-CH2 3.93Å; W405-W506 HydrophobicContact CZ2-CH2 3.93Å; W405-W506 AromaticContact CZ2-CZ2 3.24Å; W405-W506 HydrophobicContact CZ2-CZ2 3.24Å; W405-W506 AromaticContact CZ2-NE1 3.63Å; W405-W506 AromaticContact NE1-CD2 3.85Å; W405-W506 AromaticContact NE1-CE2 3.91Å; R498-W506 HydrophobicContact CG-CH2 3.86Å; R498-W506 HydrophobicContact CG-CZ2 4.13Å; R498-W506 WeakPolarHBondContact O-CH2 3.33Å; N499-W506 WeakPolarHBondContact OD1-CZ2 3.48Å; N499-W506 PolarHBondContact OD1-NE1 2.99Å; N499-W506 VanDerWaalsContact OD1-NE1 3.11Å; A502-W506 HydrophobicContact CB-CH2 3.25Å; A502-W506 HydrophobicContact CB-CZ2 4.24Å; A502-W506 HydrophobicContact CB-CZ3 3.55Å; N504-W506 PolarHBondContact O-N 3.12Å; W506-C508 PolarHBondContact O-N 3.11Å; W506-R509 WeakPolarHBondContact O-CB 3.48Å; W506-R509 PolarHBondContact O-N 3.09Å | ||
| 507 | P | 66.3 | Low | 78.4 | Confident | 60 Ų | 60 | 38.9 Ų | 38.9 | 39% | 0.39 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.6 | 140.7 | 174.8 | 20.1 | -33.2 | 0 | 0 | 0 | 111.6 | T402 R509 | T402-P507 HydrophobicContact CG2-CG 4.04Å; P507-R509 VanDerWaalsContact C-N 3.3Å; P507-R509 PolarHBondContact O-N 2.89Å |
| 508 | C | 73.7 | Confident | 79.1 | Confident | 36 Ų | 36 | 39.9 Ų | 39.9 | 24% | 0.243 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.6 | 17.4 | -179.1 | -55 | 0 | 0 | 0 | 0 | 116.7 | R409 W506 S510 E511 C512 | R409-C508 WeakPolarHBondContact CD-SG 3.45Å; W506-C508 PolarHBondContact O-N 3.11Å; C508-S510 PolarHBondContact O-N 3.5Å; C508-E511 HydrophobicContact CB-CB 4.28Å; C508-E511 PolarHBondContact O-N 2.81Å; C508-C512 WeakPolarHBondContact O-CB 3.5Å; C508-C512 PolarHBondContact O-N 3.33Å |
| 509 | R | 82.5 | Confident | 80 | Confident | 21 Ų | 21 | 37.7 Ų | 37.7 | 8% | 0.079 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -45.9 | -58 | 173 | 180 | -174.7 | 176.4 | -136.4 | -2.4 | 112.3 | N499 N505 W506 P507 T513 D705 W707 | N499-R509 HydrophobicContact CB-CG 4.2Å; N499-R509 PolarHBondContact ND2-O 3.3Å; N499-R509 VanDerWaalsContact ND2-O 3.11Å; N499-R509 PolarHBondContact O-NE 2.72Å; N499-R509 PolarHBondContact O-NH2 3.18Å; N505-R509 WeakPolarHBondContact OD1-CD 3.37Å; N505-R509 PolarHBondContact OD1-NH1 2.66Å; W506-R509 WeakPolarHBondContact O-CB 3.48Å; W506-R509 PolarHBondContact O-N 3.09Å; P507-R509 VanDerWaalsContact C-N 3.3Å; P507-R509 PolarHBondContact O-N 2.89Å; R509-T513 PolarHBondContact O-N 2.68Å; R509-T513 PolarHBondContact O-OG1 3.27Å; R509-T513 VanDerWaalsContact O-OG1 3.11Å; R509-D705 PolarHBondContact NH1-O 3.34Å; R509-D705 IonicContact NH2-OD2 2.73Å; R509-W707 HydrophobicContact CG-CH2 4.16Å; R509-W707 HydrophobicContact CG-CZ3 4.08Å; R509-W707 VanDerWaalsContact NH2-CZ2 3.25Å |
| 510 | S | 87 | Confident | 80.7 | Confident | 17 Ų | 17 | 37.7 Ų | 37.7 | 12% | 0.119 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.3 | -47.6 | 177.1 | -59.1 | 0 | 0 | 0 | 0 | 113 | C508 C512 T513 R514 D708 V711 | C508-S510 PolarHBondContact O-N 3.5Å; S510-C512 PolarHBondContact O-N 2.72Å; S510-T513 WeakPolarHBondContact O-CB 3.26Å; S510-T513 PolarHBondContact O-N 3.29Å; S510-R514 WeakPolarHBondContact O-CB 3.21Å; S510-R514 PolarHBondContact O-N 2.65Å; S510-D708 WeakPolarHBondContact CB-OD2 3.29Å; S510-D708 PolarHBondContact OG-OD2 3.17Å; S510-V711 WeakPolarHBondContact O-CG2 3.47Å |
| 511 | E | 87 | Confident | 81.6 | Confident | 43 Ų | 43 | 37.9 Ų | 37.9 | 20% | 0.201 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.9 | -42.5 | -174.2 | 175.1 | 56.9 | -170.9 | 0 | 0 | 112.2 | R409 C508 T513 R514 L515 | R409-E511 HydrophobicContact CG-CG 4.33Å; C508-E511 HydrophobicContact CB-CB 4.28Å; C508-E511 PolarHBondContact O-N 2.81Å; E511-T513 PolarHBondContact O-N 3.22Å; E511-R514 PolarHBondContact O-N 2.87Å; E511-R514 IonicContact OE1-CZ 2.68Å; E511-R514 IonicContact OE1-NH2 3.58Å; E511-R514 PolarHBondContact OE1-NH2 2.84Å; E511-R514 IonicContact OE2-CZ 2.79Å; E511-R514 IonicContact OE2-NE 3.01Å; E511-R514 PolarHBondContact OE2-NE 3.01Å; E511-R514 IonicContact OE2-NH2 3.41Å; E511-R514 PolarHBondContact OE2-NH2 3.2Å; E511-L515 HydrophobicContact CG-CD1 4.02Å; E511-L515 WeakPolarHBondContact O-CB 3.49Å; E511-L515 VanDerWaalsContact O-CG 3.25Å; E511-L515 WeakPolarHBondContact O-CG 3.37Å; E511-L515 PolarHBondContact O-N 3.05Å; E511-L515 WeakPolarHBondContact OE1-CD1 3.42Å; E511-L515 WeakPolarHBondContact OE1-CG 3.37Å |
| 512 | C | 88.7 | Confident | 82.7 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.9 | -42.1 | 173.3 | -75.1 | 0 | 0 | 0 | 0 | 112 | L412 C508 S510 A516 | L412-C512 HydrophobicContact CD1-CB 4.22Å; C508-C512 WeakPolarHBondContact O-CB 3.5Å; C508-C512 PolarHBondContact O-N 3.33Å; S510-C512 PolarHBondContact O-N 2.72Å; C512-A516 WeakPolarHBondContact O-CB 3.45Å; C512-A516 PolarHBondContact O-N 3.12Å; C512-A516 VanDerWaalsContact O-N 3.07Å |
| 513 | T | 89.8 | Confident | 83.9 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.7 | -45.3 | 174.6 | -62.1 | 0 | 0 | 0 | 0 | 111.4 | I496 N499 R509 S510 E511 A516 V517 I700 W707 V711 | I496-T513 HydrophobicContact CG1-CG2 4.48Å; I496-T513 HydrophobicContact CG2-CG2 4.38Å; N499-T513 WeakPolarHBondContact CB-OG1 3.37Å; N499-T513 PolarHBondContact ND2-OG1 2.79Å; R509-T513 PolarHBondContact O-N 2.68Å; R509-T513 PolarHBondContact O-OG1 3.27Å; R509-T513 VanDerWaalsContact O-OG1 3.11Å; S510-T513 WeakPolarHBondContact O-CB 3.26Å; S510-T513 PolarHBondContact O-N 3.29Å; E511-T513 PolarHBondContact O-N 3.22Å; T513-A516 PolarHBondContact O-N 3.49Å; T513-V517 WeakPolarHBondContact O-CG2 3.3Å; T513-V517 PolarHBondContact O-N 2.89Å; T513-V517 VanDerWaalsContact O-N 3.07Å; T513-I700 HydrophobicContact CG2-CD1 4.18Å; T513-W707 HydrophobicContact CG2-CH2 4.45Å; T513-W707 HydrophobicContact CG2-CZ3 4.17Å; T513-V711 HydrophobicContact CG2-CG1 3.89Å |
| 514 | R | 93.1 | Very high | 85.6 | Confident | 41 Ų | 41 | 26.3 Ų | 26.3 | 16% | 0.155 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -60.1 | -50.5 | 178.7 | -167.2 | -171.7 | 69 | 64.5 | 12.4 | 111.8 | S510 E511 A516 V517 D518 S710 V711 A714 | S510-R514 WeakPolarHBondContact O-CB 3.21Å; S510-R514 PolarHBondContact O-N 2.65Å; E511-R514 PolarHBondContact O-N 2.87Å; E511-R514 IonicContact OE1-CZ 2.68Å; E511-R514 IonicContact OE1-NH2 3.58Å; E511-R514 PolarHBondContact OE1-NH2 2.84Å; E511-R514 IonicContact OE2-CZ 2.79Å; E511-R514 IonicContact OE2-NE 3.01Å; E511-R514 PolarHBondContact OE2-NE 3.01Å; E511-R514 IonicContact OE2-NH2 3.41Å; E511-R514 PolarHBondContact OE2-NH2 3.2Å; R514-A516 VanDerWaalsContact C-N 3.32Å; R514-A516 PolarHBondContact O-N 3.39Å; R514-V517 PolarHBondContact O-N 3.33Å; R514-D518 IonicContact CZ-OD2 2.64Å; R514-D518 IonicContact NH1-OD2 3.49Å; R514-D518 PolarHBondContact NH1-OD2 3.48Å; R514-D518 PolarHBondContact O-N 2.8Å; R514-S710 VanDerWaalsContact CD-CB 3.42Å; R514-S710 WeakPolarHBondContact CD-OG 3.45Å; R514-S710 WeakPolarHBondContact CG-O 3.23Å; R514-V711 HydrophobicContact CB-CG2 4.18Å; R514-A714 HydrophobicContact CG-CB 3.94Å |
| 515 | L | 93.5 | Very high | 86.9 | Confident | 4 Ų | 4 | 20.8 Ų | 20.8 | 2% | 0.021 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -61.5 | -38.1 | 178 | -70.6 | 167.3 | 0 | 0 | 0 | 112.3 | R409 L412 C413 E511 D518 I519 | R409-L515 HydrophobicContact CG-CD1 4.23Å; L412-L515 HydrophobicContact CB-CB 3.91Å; L412-L515 HydrophobicContact CB-CD1 3.99Å; L412-L515 HydrophobicContact CD1-CB 4.32Å; C413-L515 VanDerWaalsContact SG-CD1 3.53Å; E511-L515 HydrophobicContact CG-CD1 4.02Å; E511-L515 WeakPolarHBondContact O-CB 3.49Å; E511-L515 VanDerWaalsContact O-CG 3.25Å; E511-L515 WeakPolarHBondContact O-CG 3.37Å; E511-L515 PolarHBondContact O-N 3.05Å; E511-L515 WeakPolarHBondContact OE1-CD1 3.42Å; E511-L515 WeakPolarHBondContact OE1-CG 3.37Å; L515-D518 PolarHBondContact O-N 3.35Å; L515-I519 VanDerWaalsContact O-CG1 3.32Å; L515-I519 WeakPolarHBondContact O-CG1 3.43Å; L515-I519 PolarHBondContact O-N 3.06Å |
| 516 | A | 93.2 | Very high | 88 | Confident | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -64.6 | -40.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L492 I496 C512 T513 R514 I519 F520 | L492-A516 HydrophobicContact CD2-CB 3.93Å; I496-A516 HydrophobicContact CD1-CB 3.82Å; I496-A516 HydrophobicContact CG1-CB 3.84Å; C512-A516 WeakPolarHBondContact O-CB 3.45Å; C512-A516 PolarHBondContact O-N 3.12Å; C512-A516 VanDerWaalsContact O-N 3.07Å; T513-A516 PolarHBondContact O-N 3.49Å; R514-A516 VanDerWaalsContact C-N 3.32Å; R514-A516 PolarHBondContact O-N 3.39Å; A516-I519 PolarHBondContact O-N 2.93Å; A516-F520 PolarHBondContact O-N 3.42Å |
| 517 | V | 94.2 | Very high | 88.8 | Confident | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -69 | -37.5 | 174.9 | 176.9 | 0 | 0 | 0 | 0 | 112 | I496 T513 R514 I519 F520 N521 L697 A714 V715 F718 | I496-V517 HydrophobicContact CD1-CG2 4.3Å; T513-V517 WeakPolarHBondContact O-CG2 3.3Å; T513-V517 PolarHBondContact O-N 2.89Å; T513-V517 VanDerWaalsContact O-N 3.07Å; R514-V517 PolarHBondContact O-N 3.33Å; V517-I519 VanDerWaalsContact C-N 3.32Å; V517-I519 PolarHBondContact O-N 2.96Å; V517-F520 PolarHBondContact O-N 3.45Å; V517-N521 WeakPolarHBondContact O-CB 3.15Å; V517-N521 PolarHBondContact O-N 3.47Å; V517-L697 HydrophobicContact CG2-CD2 3.52Å; V517-A714 HydrophobicContact CB-CB 4.14Å; V517-A714 HydrophobicContact CG1-CB 3.87Å; V517-A714 WeakPolarHBondContact CG1-O 3.21Å; V517-V715 HydrophobicContact CG1-CG2 4.24Å; V517-V715 HydrophobicContact CG2-CG2 4.34Å; V517-F718 HydrophobicContact CG1-CB 3.97Å; V517-F718 HydrophobicContact CG1-CG 4.42Å |
| 518 | D | 94.4 | Very high | 89.7 | Confident | 23 Ų | 23 | 13 Ų | 13 | 12% | 0.123 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -59.7 | -41.9 | 171.9 | -72.9 | -31.3 | 0 | 0 | 0 | 111.7 | R416 R514 L515 N521 L522 | R416-D518 IonicContact CZ-OD2 3.22Å; R416-D518 IonicContact NE-OD2 3.91Å; R416-D518 IonicContact NH1-OD2 2.84Å; R416-D518 PolarHBondContact NH1-OD2 3.43Å; R514-D518 IonicContact CZ-OD2 2.64Å; R514-D518 IonicContact NH1-OD2 3.49Å; R514-D518 PolarHBondContact NH1-OD2 3.48Å; R514-D518 PolarHBondContact O-N 2.8Å; L515-D518 PolarHBondContact O-N 3.35Å; D518-N521 WeakPolarHBondContact O-CB 3.44Å; D518-N521 PolarHBondContact O-N 2.89Å; D518-L522 WeakPolarHBondContact O-CG 3.21Å; D518-L522 PolarHBondContact O-N 2.87Å |
| 519 | I | 95.4 | Very high | 90.4 | Very high | 1 Ų | 1 | 11.3 Ų | 11.3 | 1% | 0.005 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -65.7 | -41.9 | 175.7 | -68.4 | 164.5 | 0 | 0 | 0 | 110.7 | L412 I415 R416 L419 L483 L492 L515 A516 V517 N521 L522 M523 | L412-I519 HydrophobicContact CB-CD1 4.43Å; L412-I519 HydrophobicContact CD2-CD1 3.77Å; I415-I519 HydrophobicContact CB-CD1 4.17Å; I415-I519 HydrophobicContact CG2-CD1 3.91Å; I415-I519 HydrophobicContact CG2-CG1 4.35Å; I415-I519 HydrophobicContact CG2-CG2 4.47Å; R416-I519 HydrophobicContact CB-CD1 4.47Å; R416-I519 HydrophobicContact CB-CG1 4.17Å; L419-I519 HydrophobicContact CD1-CG2 4.04Å; L483-I519 HydrophobicContact CD2-CG2 3.93Å; L492-I519 HydrophobicContact CD1-CB 4.35Å; L492-I519 HydrophobicContact CD1-CG2 3.67Å; L492-I519 HydrophobicContact CD2-CD1 4.48Å; L515-I519 VanDerWaalsContact O-CG1 3.32Å; L515-I519 WeakPolarHBondContact O-CG1 3.43Å; L515-I519 PolarHBondContact O-N 3.06Å; A516-I519 PolarHBondContact O-N 2.93Å; V517-I519 VanDerWaalsContact C-N 3.32Å; V517-I519 PolarHBondContact O-N 2.96Å; I519-N521 VanDerWaalsContact C-N 3.3Å; I519-N521 PolarHBondContact O-N 2.97Å; I519-L522 PolarHBondContact O-N 3.31Å; I519-M523 HydrophobicContact CG2-CG 4.34Å; I519-M523 HydrophobicContact CG2-SD 4.1Å; I519-M523 WeakPolarHBondContact O-CB 3.32Å; I519-M523 WeakPolarHBondContact O-CG 3.25Å; I519-M523 PolarHBondContact O-N 2.89Å |
| 520 | F | 95 | Very high | 90.7 | Very high | 0 Ų | 0 | 10.3 Ų | 10.3 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -61.7 | -35.6 | 172.1 | -76.4 | -31.3 | 0 | 0 | 0 | 113.2 | I489 L492 Y493 I496 A516 V517 S524 I533 F718 | I489-F520 HydrophobicContact CG2-CE1 4.39Å; L492-F520 HydrophobicContact CB-CD1 4.49Å; L492-F520 HydrophobicContact CB-CE1 3.66Å; L492-F520 HydrophobicContact CB-CE2 4.14Å; L492-F520 HydrophobicContact CB-CZ 3.45Å; L492-F520 VanDerWaalsContact CB-CZ 3.45Å; L492-F520 HydrophobicContact CD1-CD1 3.9Å; L492-F520 HydrophobicContact CD1-CE1 3.67Å; L492-F520 HydrophobicContact CD1-CZ 4.33Å; L492-F520 HydrophobicContact CG-CE1 4.32Å; Y493-F520 AromaticContact CD1-CE2 3.79Å; Y493-F520 HydrophobicContact CD1-CE2 3.79Å; Y493-F520 HydrophobicContact CD1-CZ 4.02Å; Y493-F520 HydrophobicContact CD2-CE1 4.43Å; Y493-F520 HydrophobicContact CD2-CE2 4.1Å; Y493-F520 AromaticContact CD2-CZ 3.54Å; Y493-F520 HydrophobicContact CD2-CZ 3.54Å; Y493-F520 AromaticContact CE1-CE2 3.63Å; Y493-F520 HydrophobicContact CE1-CE2 3.63Å; Y493-F520 HydrophobicContact CE1-CZ 4.09Å; Y493-F520 HydrophobicContact CE2-CE1 4.37Å; Y493-F520 AromaticContact CE2-CE2 3.97Å; Y493-F520 HydrophobicContact CE2-CE2 3.97Å; Y493-F520 AromaticContact CE2-CZ 3.63Å; Y493-F520 HydrophobicContact CE2-CZ 3.63Å; Y493-F520 HydrophobicContact CG-CE2 4.01Å; Y493-F520 AromaticContact CG-CZ 3.74Å; Y493-F520 HydrophobicContact CG-CZ 3.74Å; Y493-F520 AromaticContact CZ-CE2 3.74Å; Y493-F520 AromaticContact CZ-CZ 3.92Å; I496-F520 HydrophobicContact CD1-CD2 4.14Å; I496-F520 HydrophobicContact CD1-CE2 3.61Å; A516-F520 PolarHBondContact O-N 3.42Å; V517-F520 PolarHBondContact O-N 3.45Å; F520-S524 WeakPolarHBondContact O-CB 3.37Å; F520-S524 PolarHBondContact O-N 3.26Å; F520-S524 PolarHBondContact O-OG 3.02Å; F520-I533 HydrophobicContact CB-CG2 4.48Å; F520-I533 HydrophobicContact CD1-CD1 3.96Å; F520-I533 HydrophobicContact CD1-CG1 4.19Å; F520-I533 HydrophobicContact CD1-CG2 3.93Å; F520-I533 HydrophobicContact CD2-CG2 4.42Å; F520-I533 HydrophobicContact CE1-CG1 4.41Å; F520-I533 HydrophobicContact CE1-CG2 4.17Å; F520-I533 HydrophobicContact CG-CG2 4.07Å; F520-F718 HydrophobicContact CB-CD2 4.28Å; F520-F718 HydrophobicContact CB-CE2 3.92Å; F520-F718 HydrophobicContact CB-CZ 4.38Å |
| 521 | N | 94.3 | Very high | 90.7 | Very high | 18 Ų | 18 | 10.9 Ų | 10.9 | 10% | 0.096 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -63.9 | -45.4 | 175.2 | -167.4 | 7.6 | 0 | 0 | 0 | 111.3 | V517 D518 I519 S524 F718 T721 | V517-N521 WeakPolarHBondContact O-CB 3.15Å; V517-N521 PolarHBondContact O-N 3.47Å; D518-N521 WeakPolarHBondContact O-CB 3.44Å; D518-N521 PolarHBondContact O-N 2.89Å; I519-N521 VanDerWaalsContact C-N 3.3Å; I519-N521 PolarHBondContact O-N 2.97Å; N521-S524 PolarHBondContact O-N 3.47Å; N521-F718 HydrophobicContact CB-CB 4.37Å; N521-F718 HydrophobicContact CB-CD2 4.4Å; N521-T721 WeakPolarHBondContact OD1-CB 3.13Å; N521-T721 WeakPolarHBondContact OD1-CG2 3.45Å; N521-T721 PolarHBondContact OD1-OG1 3.44Å |
| 522 | L | 93.4 | Very high | 90.7 | Very high | 4 Ų | 4 | 12.2 Ų | 12.2 | 2% | 0.021 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -66.1 | -44.3 | 174.2 | -68.8 | 167.8 | 0 | 0 | 0 | 112.6 | R416 L419 E420 L423 F460 M464 W477 D518 I519 S524 I525 | R416-L522 HydrophobicContact CG-CD1 4.29Å; L419-L522 HydrophobicContact CB-CD1 3.87Å; L419-L522 HydrophobicContact CD1-CB 4.27Å; L419-L522 HydrophobicContact CD1-CD1 4.32Å; E420-L522 HydrophobicContact CG-CD1 4.1Å; L423-L522 HydrophobicContact CD2-CD2 3.98Å; F460-L522 HydrophobicContact CE1-CD2 4.08Å; F460-L522 HydrophobicContact CZ-CD2 3.93Å; M464-L522 HydrophobicContact CE-CD2 4.08Å; M464-L522 HydrophobicContact SD-CD2 3.89Å; W477-L522 HydrophobicContact CZ3-CB 4.47Å; D518-L522 WeakPolarHBondContact O-CG 3.21Å; D518-L522 PolarHBondContact O-N 2.87Å; I519-L522 PolarHBondContact O-N 3.31Å; L522-S524 VanDerWaalsContact C-N 3.29Å; L522-S524 PolarHBondContact O-N 2.95Å; L522-I525 HydrophobicContact CD2-CD1 4.33Å; L522-I525 WeakPolarHBondContact O-CB 3.36Å; L522-I525 WeakPolarHBondContact O-CD1 3.25Å; L522-I525 VanDerWaalsContact O-CG1 3.24Å; L522-I525 WeakPolarHBondContact O-CG1 3.41Å; L522-I525 PolarHBondContact O-N 3.38Å |
| 523 | M | 93.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -60.6 | -39.4 | 175.6 | -72.7 | -178.9 | 72.6 | 0 | 0 | 112.1 | T480 L483 R484 I489 L492 I519 I525 T526 I533 | T480-M523 HydrophobicContact CG2-CB 4.47Å; T480-M523 HydrophobicContact CG2-CG 4.23Å; L483-M523 HydrophobicContact CD2-CG 4.22Å; L483-M523 HydrophobicContact CD2-SD 3.81Å; L483-M523 HydrophobicContact CG-CE 4.49Å; L483-M523 HydrophobicContact CG-SD 4.22Å; R484-M523 HydrophobicContact CB-CE 4.02Å; I489-M523 HydrophobicContact CD1-CE 4.35Å; I489-M523 HydrophobicContact CG1-CE 3.88Å; L492-M523 HydrophobicContact CD1-SD 4.33Å; I519-M523 HydrophobicContact CG2-CG 4.34Å; I519-M523 HydrophobicContact CG2-SD 4.1Å; I519-M523 WeakPolarHBondContact O-CB 3.32Å; I519-M523 WeakPolarHBondContact O-CG 3.25Å; I519-M523 PolarHBondContact O-N 2.89Å; M523-I525 PolarHBondContact O-N 3.33Å; M523-I525 VanDerWaalsContact O-N 3.14Å; M523-T526 PolarHBondContact O-N 3.34Å; M523-I533 HydrophobicContact CB-CD1 3.79Å |
| 524 | S | 91.2 | Very high | 90.6 | Very high | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 6% | 0.059 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | -11.7 | -178.5 | -66.8 | 0 | 0 | 0 | 0 | 114.2 | F520 N521 L522 T526 F718 R725 | F520-S524 WeakPolarHBondContact O-CB 3.37Å; F520-S524 PolarHBondContact O-N 3.26Å; F520-S524 PolarHBondContact O-OG 3.02Å; N521-S524 PolarHBondContact O-N 3.47Å; L522-S524 VanDerWaalsContact C-N 3.29Å; L522-S524 PolarHBondContact O-N 2.95Å; S524-T526 PolarHBondContact O-N 3.21Å; S524-F718 WeakPolarHBondContact OG-CE2 3.42Å; S524-R725 VanDerWaalsContact O-CZ 3.31Å; S524-R725 PolarHBondContact O-NH1 2.74Å; S524-R725 PolarHBondContact O-NH2 3.24Å |
| 525 | I | 88.7 | Confident | 90.1 | Very high | 2 Ų | 2 | 12.9 Ų | 12.9 | 1% | 0.01 | 7% | 0.071 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.1 | -44.8 | 170.6 | -64.6 | 172.4 | 0 | 0 | 0 | 109.8 | L423 M464 I467 I471 W477 L522 M523 Y527 R725 | L423-I525 HydrophobicContact CD1-CD1 3.98Å; L423-I525 HydrophobicContact CD2-CD1 3.81Å; M464-I525 HydrophobicContact CE-CD1 3.99Å; M464-I525 HydrophobicContact CE-CG1 4.08Å; M464-I525 HydrophobicContact SD-CD1 3.7Å; M464-I525 HydrophobicContact SD-CG1 4.35Å; I467-I525 HydrophobicContact CG2-CG2 4.06Å; I471-I525 HydrophobicContact CD1-CG2 3.47Å; I471-I525 VanDerWaalsContact CD1-CG2 3.47Å; W477-I525 HydrophobicContact CE3-CD1 4.28Å; W477-I525 HydrophobicContact CZ3-CD1 3.97Å; L522-I525 HydrophobicContact CD2-CD1 4.33Å; L522-I525 WeakPolarHBondContact O-CB 3.36Å; L522-I525 WeakPolarHBondContact O-CD1 3.25Å; L522-I525 VanDerWaalsContact O-CG1 3.24Å; L522-I525 WeakPolarHBondContact O-CG1 3.41Å; L522-I525 PolarHBondContact O-N 3.38Å; M523-I525 PolarHBondContact O-N 3.33Å; M523-I525 VanDerWaalsContact O-N 3.14Å; I525-Y527 PolarHBondContact O-N 3.05Å; I525-R725 PolarHBondContact O-NH1 2.73Å; I525-R725 VanDerWaalsContact O-NH1 3.08Å |
| 526 | T | 87.4 | Confident | 89.7 | Confident | 1 Ų | 1 | 13.5 Ų | 13.5 | 1% | 0.006 | 8% | 0.076 | C | C | . | . | S | Bend | trans | -73.2 | 118.1 | 172 | -58.1 | 0 | 0 | 0 | 0 | 110.6 | W477 T480 M523 S524 D528 L529 A530 | W477-T526 PolarHBondContact N-OG1 3.36Å; T480-T526 PolarHBondContact OG1-OG1 3.4Å; M523-T526 PolarHBondContact O-N 3.34Å; S524-T526 PolarHBondContact O-N 3.21Å; T526-D528 VanDerWaalsContact C-N 3.33Å; T526-D528 PolarHBondContact O-N 3.01Å; T526-L529 HydrophobicContact CG2-CD1 4.33Å; T526-L529 HydrophobicContact CG2-CG 4.05Å; T526-L529 PolarHBondContact O-N 2.88Å; T526-A530 PolarHBondContact O-N 3.46Å; T526-A530 VanDerWaalsContact O-N 3.08Å |
| 527 | Y | 83.6 | Confident | 88.8 | Confident | 5 Ų | 5 | 18.3 Ų | 18.3 | 2% | 0.02 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -56.1 | -40.6 | -176.5 | -91.1 | -99.8 | 0 | 0 | 0 | 114.3 | P473 I525 L529 A530 D531 R725 R854 L858 | P473-Y527 HydrophobicContact CB-CD1 4.37Å; P473-Y527 HydrophobicContact CB-CD2 3.61Å; P473-Y527 HydrophobicContact CB-CE1 4.32Å; P473-Y527 HydrophobicContact CB-CE2 3.56Å; P473-Y527 HydrophobicContact CB-CG 3.99Å; P473-Y527 HydrophobicContact CG-CD2 4.11Å; P473-Y527 HydrophobicContact CG-CE1 4.42Å; P473-Y527 HydrophobicContact CG-CE2 3.51Å; I525-Y527 PolarHBondContact O-N 3.05Å; Y527-L529 PolarHBondContact O-N 3.08Å; Y527-A530 PolarHBondContact O-N 2.77Å; Y527-D531 WeakPolarHBondContact O-CB 3.42Å; Y527-D531 PolarHBondContact O-N 3.44Å; Y527-R725 WeakPolarHBondContact OH-CB 3.38Å; Y527-R725 WeakPolarHBondContact OH-CD 3.46Å; Y527-R854 HydrophobicContact CD1-CB 4.38Å; Y527-L858 HydrophobicContact CD1-CD1 4.42Å |
| 528 | D | 84.6 | Confident | 87.6 | Confident | 58 Ų | 58 | 19 Ų | 19 | 31% | 0.31 | 11% | 0.106 | S | C | . | . | H | α-helix | trans | -65 | -30 | -179.2 | -61.6 | -32.8 | 0 | 0 | 0 | 112.1 | T526 E532 R854 | T526-D528 VanDerWaalsContact C-N 3.33Å; T526-D528 PolarHBondContact O-N 3.01Å; D528-E532 PolarHBondContact O-N 2.97Å; D528-R854 IonicContact OD1-CZ 2.83Å; D528-R854 IonicContact OD1-NH1 3.88Å; D528-R854 PolarHBondContact OD1-NH1 3.44Å; D528-R854 IonicContact OD1-NH2 2.7Å; D528-R854 PolarHBondContact OD1-NH2 3.22Å |
| 529 | L | 88.8 | Confident | 85.9 | Confident | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -81.2 | -38.5 | 177.3 | -60.5 | -177.7 | 0 | 0 | 0 | 111.7 | T480 R484 T526 Y527 D531 E532 I533 | T480-L529 VanDerWaalsContact CB-CD1 3.47Å; T480-L529 WeakPolarHBondContact O-CD1 3.26Å; T480-L529 WeakPolarHBondContact OG1-CD1 3.4Å; R484-L529 HydrophobicContact CB-CD2 3.84Å; R484-L529 HydrophobicContact CG-CD2 3.61Å; T526-L529 HydrophobicContact CG2-CD1 4.33Å; T526-L529 HydrophobicContact CG2-CG 4.05Å; T526-L529 PolarHBondContact O-N 2.88Å; Y527-L529 PolarHBondContact O-N 3.08Å; L529-D531 PolarHBondContact O-N 3.4Å; L529-E532 PolarHBondContact O-N 3.34Å; L529-I533 VanDerWaalsContact O-CG1 3.29Å; L529-I533 WeakPolarHBondContact O-CG1 3.39Å; L529-I533 PolarHBondContact O-N 3.5Å |
| 530 | A | 88.8 | Confident | 83.7 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -57.1 | -41.9 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | T526 Y527 E532 V534 L722 L858 | T526-A530 PolarHBondContact O-N 3.46Å; T526-A530 VanDerWaalsContact O-N 3.08Å; Y527-A530 PolarHBondContact O-N 2.77Å; A530-E532 VanDerWaalsContact C-N 3.25Å; A530-E532 PolarHBondContact O-N 2.93Å; A530-V534 WeakPolarHBondContact O-CB 3.34Å; A530-V534 VanDerWaalsContact O-CG2 3.26Å; A530-V534 WeakPolarHBondContact O-CG2 3.44Å; A530-V534 PolarHBondContact O-N 3.11Å; A530-V534 VanDerWaalsContact O-N 3.16Å; A530-L722 HydrophobicContact CB-CD2 3.88Å; A530-L858 HydrophobicContact CB-CD2 4.35Å |
| 531 | D | 85.9 | Confident | 81.2 | Confident | 28 Ų | 28 | 27.4 Ų | 27.4 | 15% | 0.15 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -65.1 | -25.7 | 176.4 | -118.2 | 24.5 | 0 | 0 | 0 | 113.4 | Y527 L529 S535 K857 | Y527-D531 WeakPolarHBondContact O-CB 3.42Å; Y527-D531 PolarHBondContact O-N 3.44Å; L529-D531 PolarHBondContact O-N 3.4Å; D531-S535 WeakPolarHBondContact O-CB 3.2Å; D531-S535 PolarHBondContact O-OG 3.11Å; D531-K857 WeakPolarHBondContact OD1-CD 3.29Å; D531-K857 VanDerWaalsContact OD1-CE 3.31Å; D531-K857 WeakPolarHBondContact OD1-CE 3.45Å; D531-K857 IonicContact OD1-NZ 3.39Å; D531-K857 PolarHBondContact OD1-NZ 2.59Å; D531-K857 WeakPolarHBondContact OD2-CD 3.21Å; D531-K857 WeakPolarHBondContact OD2-CE 3.36Å; D531-K857 IonicContact OD2-NZ 3.5Å; D531-K857 PolarHBondContact OD2-NZ 3.04Å |
| 532 | E | 87.7 | Confident | 78.2 | Confident | 71 Ų | 71 | 32.4 Ų | 32.4 | 33% | 0.332 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -87.8 | -52.4 | -179.1 | -169.5 | 162.5 | 116.9 | 0 | 0 | 111.4 | R484 I489 D528 L529 A530 V534 S535 A536 | R484-E532 WeakPolarHBondContact CG-OE1 3.41Å; R484-E532 IonicContact CZ-OE1 3.35Å; R484-E532 IonicContact CZ-OE2 3.05Å; R484-E532 IonicContact NE-OE1 2.76Å; R484-E532 PolarHBondContact NE-OE1 3.22Å; R484-E532 IonicContact NE-OE2 2.75Å; R484-E532 PolarHBondContact NE-OE2 3.31Å; R484-E532 IonicContact NH2-OE1 3.19Å; R484-E532 IonicContact NH2-OE2 3.83Å; R484-E532 PolarHBondContact NH2-OE2 3.32Å; I489-E532 HydrophobicContact CD1-CB 4.34Å; I489-E532 HydrophobicContact CD1-CG 3.91Å; D528-E532 PolarHBondContact O-N 2.97Å; L529-E532 PolarHBondContact O-N 3.34Å; A530-E532 VanDerWaalsContact C-N 3.25Å; A530-E532 PolarHBondContact O-N 2.93Å; E532-V534 VanDerWaalsContact C-N 3.31Å; E532-V534 PolarHBondContact O-N 3.11Å; E532-S535 CarbonylContact O-C 3.52Å; E532-S535 PolarHBondContact O-N 2.93Å; E532-A536 PolarHBondContact O-N 3.39Å; E532-A536 VanDerWaalsContact O-N 3.09Å |
| 533 | I | 90 | Very high | 75.2 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -54.7 | -47.2 | 176.3 | -64.8 | 163.2 | 0 | 0 | 0 | 110.4 | I489 Y493 F520 M523 L529 S535 A536 F718 | I489-I533 HydrophobicContact CD1-CG1 3.81Å; I489-I533 HydrophobicContact CG1-CG1 3.99Å; I489-I533 HydrophobicContact CG2-CG1 4.18Å; Y493-I533 HydrophobicContact CE2-CG2 4Å; Y493-I533 WeakPolarHBondContact OH-CG2 3.3Å; Y493-I533 PolarHBondContact OH-O 3.19Å; Y493-I533 VanDerWaalsContact OH-O 3.12Å; F520-I533 HydrophobicContact CB-CG2 4.48Å; F520-I533 HydrophobicContact CD1-CD1 3.96Å; F520-I533 HydrophobicContact CD1-CG1 4.19Å; F520-I533 HydrophobicContact CD1-CG2 3.93Å; F520-I533 HydrophobicContact CD2-CG2 4.42Å; F520-I533 HydrophobicContact CE1-CG1 4.41Å; F520-I533 HydrophobicContact CE1-CG2 4.17Å; F520-I533 HydrophobicContact CG-CG2 4.07Å; M523-I533 HydrophobicContact CB-CD1 3.79Å; L529-I533 VanDerWaalsContact O-CG1 3.29Å; L529-I533 WeakPolarHBondContact O-CG1 3.39Å; L529-I533 PolarHBondContact O-N 3.5Å; I533-S535 PolarHBondContact O-N 3.26Å; I533-A536 WeakPolarHBondContact O-CB 3.49Å; I533-A536 PolarHBondContact O-N 3.1Å; I533-F718 HydrophobicContact CG2-CE2 4.41Å; I533-F718 HydrophobicContact CG2-CZ 3.97Å |
| 534 | V | 86.5 | Confident | 72.1 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -11.7 | -179.8 | 170.3 | 0 | 0 | 0 | 0 | 113.3 | A530 E532 L694 F718 L722 I861 | A530-V534 WeakPolarHBondContact O-CB 3.34Å; A530-V534 VanDerWaalsContact O-CG2 3.26Å; A530-V534 WeakPolarHBondContact O-CG2 3.44Å; A530-V534 PolarHBondContact O-N 3.11Å; A530-V534 VanDerWaalsContact O-N 3.16Å; E532-V534 VanDerWaalsContact C-N 3.31Å; E532-V534 PolarHBondContact O-N 3.11Å; V534-L694 HydrophobicContact CG1-CD2 3.85Å; V534-L694 HydrophobicContact CG2-CD2 4.42Å; V534-F718 HydrophobicContact CG2-CZ 4.5Å; V534-L722 HydrophobicContact CG2-CD1 3.51Å; V534-L722 HydrophobicContact CG2-CD2 3.67Å; V534-L722 HydrophobicContact CG2-CG 4.23Å; V534-I861 HydrophobicContact CG1-CB 3.61Å; V534-I861 HydrophobicContact CG1-CD1 3.9Å; V534-I861 HydrophobicContact CG1-CG1 4.37Å; V534-I861 HydrophobicContact CG1-CG2 3.37Å |
| 535 | S | 82.8 | Confident | 69.1 | Low | 56 Ų | 56 | 49.6 Ų | 49.6 | 39% | 0.392 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.6 | 6 | 175.2 | -50.6 | 0 | 0 | 0 | 0 | 113.2 | D531 E532 I533 | D531-S535 WeakPolarHBondContact O-CB 3.2Å; D531-S535 PolarHBondContact O-OG 3.11Å; E532-S535 CarbonylContact O-C 3.52Å; E532-S535 PolarHBondContact O-N 2.93Å; I533-S535 PolarHBondContact O-N 3.26Å |
| 536 | A | 84 | Confident | 66.1 | Low | 16 Ų | 16 | 55.3 Ų | 55.3 | 13% | 0.132 | 32% | 0.318 | C | S | . | . | trans | -81.5 | 136 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | I489 Y493 E532 I533 N692 G693 | I489-A536 HydrophobicContact CG2-CB 4.15Å; Y493-A536 HydrophobicContact CD2-CB 4.06Å; Y493-A536 HydrophobicContact CE2-CB 3.78Å; E532-A536 PolarHBondContact O-N 3.39Å; E532-A536 VanDerWaalsContact O-N 3.09Å; I533-A536 WeakPolarHBondContact O-CB 3.49Å; I533-A536 PolarHBondContact O-N 3.1Å; A536-N692 PolarHBondContact O-ND2 2.9Å; A536-G693 PolarHBondContact O-N 2.82Å | ||
| 537 | D | 76.1 | Confident | 63.1 | Low | 101 Ų | 101 | 60 Ų | 60 | 54% | 0.54 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 142.8 | 175.6 | -60.1 | -36.4 | 0 | 0 | 0 | 110.2 | R690 N692 | D537-R690 HydrophobicContact CB-CB 4.29Å; D537-N692 WeakPolarHBondContact OD1-CA 3.27Å; D537-N692 WeakPolarHBondContact OD1-CB 3.26Å; D537-N692 PolarHBondContact OD1-ND2 3.3Å |
| 538 | V | 69.1 | Low | 60.2 | Low | 14 Ų | 14 | 64 Ų | 64 | 9% | 0.085 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 144.8 | -174.8 | -167.5 | 0 | 0 | 0 | 0 | 107.6 | Y493 A497 S540 R690 I691 M696 | Y493-V538 HydrophobicContact CD1-CG2 4.03Å; Y493-V538 HydrophobicContact CD2-CG2 4.43Å; Y493-V538 HydrophobicContact CG-CG2 3.84Å; A497-V538 HydrophobicContact CB-CG1 3.99Å; V538-S540 PolarHBondContact O-N 2.93Å; V538-R690 CarbonylContact O-C 3.55Å; V538-R690 VanDerWaalsContact O-CA 3.24Å; V538-R690 WeakPolarHBondContact O-CA 3.49Å; V538-I691 PolarHBondContact N-O 3.48Å; V538-I691 PolarHBondContact O-N 3.49Å; V538-M696 HydrophobicContact CG1-CE 4.39Å; V538-M696 HydrophobicContact CG2-CE 4.23Å |
| 539 | Y | 58.7 | Low | 57.4 | Low | 131 Ų | 131 | 67.1 Ų | 67.1 | 51% | 0.514 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 128.1 | 169.6 | -62.9 | -89 | 0 | 0 | 0 | 108.7 | D688 R690 | Y539-D688 HydrophobicContact CD1-CB 4.49Å; Y539-D688 HydrophobicContact CE1-CB 4.37Å; Y539-R690 HydrophobicContact CD1-CG 4.11Å; Y539-R690 HydrophobicContact CE1-CG 4.31Å; Y539-R690 PolarHBondContact OH-NH2 3.12Å |
| 540 | S | 47.4 | Very low | 54.4 | Low | 21 Ų | 21 | 76.5 Ų | 76.5 | 15% | 0.147 | 45% | 0.448 | C | S | . | . | P | Polyproline II helix | trans | -83.1 | 129.2 | 163.5 | 48.7 | 0 | 0 | 0 | 0 | 108.9 | V538 E689 | V538-S540 PolarHBondContact O-N 2.93Å; S540-E689 PolarHBondContact N-O 3.2Å; S540-E689 WeakPolarHBondContact OG-CB 3.4Å; S540-E689 PolarHBondContact OG-O 2.92Å |
| 541 | F | 43.1 | Very low | 51.4 | Low | 50 Ų | 50 | 85 Ų | 85 | 22% | 0.219 | 49% | 0.493 | C | S | . | . | P | Polyproline II helix | trans | -62.6 | 139.8 | 162.6 | -63.9 | -92.1 | 0 | 0 | 0 | 108.1 | Y501 T543 | Y501-F541 HydrophobicContact CD2-CD2 4.09Å; F541-T543 PolarHBondContact O-N 3.02Å |
| 542 | P | 32.5 | Very low | 48.5 | Very low | 123 Ų | 123 | 87 Ų | 87 | 80% | 0.799 | 52% | 0.52 | S | S | * | . | trans | -71 | 99.5 | -175.2 | 28.1 | -33.8 | 0 | 0 | 0 | 110.6 | ||||
| 543 | T | 30 | Very low | 45.6 | Very low | 104 Ų | 104 | 89.8 Ų | 89.8 | 64% | 0.638 | 54% | 0.544 | S | S | * | . | trans | -59.6 | 145.8 | 163.7 | 50.5 | 0 | 0 | 0 | 0 | 110.2 | Y501 F541 | Y501-T543 HydrophobicContact CD1-CG2 4.32Å; F541-T543 PolarHBondContact O-N 3.02Å | ||
| 544 | S | 27.6 | Very low | 42.8 | Very low | 107 Ų | 107 | 96.2 Ų | 96.2 | 75% | 0.748 | 58% | 0.583 | S | S | * | * | trans | 64.4 | 100.4 | -178.1 | 69.9 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 545 | L | 28 | Very low | 40 | Very low | 154 Ų | 154 | 102 Ų | 102 | 81% | 0.806 | 62% | 0.621 | S | S | * | * | trans | -147 | 63.2 | 145.1 | -123.1 | 161 | 0 | 0 | 0 | 109.3 | S547 | L545-S547 PolarHBondContact O-N 3.16Š| ||
| 546 | S | 25.2 | Very low | 37.3 | Very low | 121 Ų | 121 | 107.3 Ų | 107.3 | 85% | 0.846 | 64% | 0.644 | S | S | * | * | trans | -71.4 | 65.6 | 169.7 | -54.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 547 | S | 25.5 | Very low | 34.6 | Very low | 99 Ų | 99 | 115 Ų | 115 | 69% | 0.692 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -166.9 | 132.1 | 171.5 | -82.6 | 0 | 0 | 0 | 0 | 109.3 | L545 | L545-S547 PolarHBondContact O-N 3.16Š|
| 548 | A | 22.9 | Very low | 32.1 | Very low | 89 Ų | 89 | 115.2 Ų | 115.2 | 74% | 0.736 | 69% | 0.691 | S | S | * | * | trans | -79.2 | 172.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 549 | T | 25.5 | Very low | 30 | Very low | 125 Ų | 125 | 119.6 Ų | 119.6 | 77% | 0.767 | 72% | 0.722 | S | S | * | * | trans | 100.2 | 151.2 | 163.4 | 74.9 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 550 | F | 26.2 | Very low | 28.4 | Very low | 197 Ų | 197 | 121.5 Ų | 121.5 | 86% | 0.864 | 74% | 0.741 | S | S | * | * | trans | 79.1 | 71.2 | 172.4 | -68.1 | -75.5 | 0 | 0 | 0 | 121.1 | ||||
| 551 | L | 25.2 | Very low | 27.3 | Very low | 179 Ų | 179 | 125.5 Ų | 125.5 | 94% | 0.937 | 78% | 0.775 | S | S | * | * | trans | -24.4 | 146.8 | 145 | -59.4 | 162.2 | 0 | 0 | 0 | 117.1 | ||||
| 552 | G | 25.4 | Very low | 26.7 | Very low | 70 Ų | 70 | 128.2 Ų | 128.2 | 72% | 0.722 | 81% | 0.806 | S | S | * | * | trans | 156.5 | 90.4 | 151.5 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 553 | P | 26.9 | Very low | 26.4 | Very low | 128 Ų | 128 | 126.4 Ų | 126.4 | 83% | 0.831 | 81% | 0.81 | S | S | * | * | trans | -92.9 | 121.8 | 176.3 | 33.8 | -30.9 | 0 | 0 | 0 | 113.4 | ||||
| 554 | T | 29.7 | Very low | 26.3 | Very low | 135 Ų | 135 | 124.9 Ų | 124.9 | 83% | 0.828 | 82% | 0.815 | S | S | * | * | trans | -142.7 | 128.7 | 162 | 52.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 555 | P | 28.6 | Very low | 26.3 | Very low | 122 Ų | 122 | 127.8 Ų | 127.8 | 79% | 0.792 | 82% | 0.822 | S | S | * | * | trans | -92.3 | 157.1 | -174.5 | 36.2 | -36.1 | 0 | 0 | 0 | 113.9 | ||||
| 556 | L | 25.8 | Very low | 26.3 | Very low | 168 Ų | 168 | 126 Ų | 126 | 88% | 0.88 | 82% | 0.822 | S | S | * | * | trans | -139.4 | 107.5 | 168 | -73.5 | 177.7 | 0 | 0 | 0 | 111.9 | ||||
| 557 | L | 28 | Very low | 26.5 | Very low | 178 Ų | 178 | 126.1 Ų | 126.1 | 93% | 0.932 | 82% | 0.82 | S | S | * | * | -171.9 | 138.4 | 121.5 | -103.1 | 162 | 0 | 0 | 0 | 112.2 | |||||
| 558 | S | 23.3 | Very low | 26.5 | Very low | 105 Ų | 105 | 127 Ų | 127 | 73% | 0.734 | 83% | 0.827 | S | S | * | * | trans | -114.3 | 162.5 | 180 | 58 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 559 | S | 24.7 | Very low | 26.7 | Very low | 105 Ų | 105 | 128.4 Ų | 128.4 | 73% | 0.734 | 83% | 0.831 | S | S | * | * | trans | 80 | 116.3 | 171.8 | -154.1 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 560 | L | 25.3 | Very low | 26.6 | Very low | 172 Ų | 172 | 130.4 Ų | 130.4 | 90% | 0.901 | 83% | 0.832 | S | S | * | * | -143.5 | 155.6 | 62.3 | -111.9 | 81.7 | 0 | 0 | 0 | 113 | |||||
| 561 | A | 24.4 | Very low | 26.5 | Very low | 104 Ų | 104 | 131.1 Ų | 131.1 | 86% | 0.86 | 84% | 0.835 | S | S | * | * | trans | -125.5 | 132 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 562 | A | 29.5 | Very low | 26.5 | Very low | 107 Ų | 107 | 125.8 Ų | 125.8 | 88% | 0.884 | 82% | 0.823 | S | S | * | * | trans | -165.1 | 138.3 | 159.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 563 | G | 27.4 | Very low | 26.5 | Very low | 86 Ų | 86 | 128 Ų | 128 | 89% | 0.887 | 83% | 0.828 | S | S | * | * | cis | 142 | 101.5 | -7.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 564 | G | 27.4 | Very low | 26.5 | Very low | 71 Ų | 71 | 127.7 Ų | 127.7 | 73% | 0.732 | 82% | 0.823 | S | S | * | * | trans | 156.6 | 99.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 565 | D | 28.4 | Very low | 26.4 | Very low | 169 Ų | 169 | 127.8 Ų | 127.8 | 90% | 0.904 | 82% | 0.819 | S | S | * | * | trans | 47.2 | 110 | 145.7 | -54.4 | -13.1 | 0 | 0 | 0 | 121.8 | ||||
| 566 | S | 26.8 | Very low | 26.3 | Very low | 115 Ų | 115 | 127.6 Ų | 127.6 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | trans | -87.6 | 173.4 | 158.4 | -40.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 567 | P | 30.8 | Very low | 26.3 | Very low | 124 Ų | 124 | 125.4 Ų | 125.4 | 81% | 0.805 | 81% | 0.809 | S | S | * | * | -138.7 | 145.2 | 115.7 | 37 | -26 | 0 | 0 | 0 | 115.6 | |||||
| 568 | S | 24.7 | Very low | 26.3 | Very low | 118 Ų | 118 | 120.9 Ų | 120.9 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | trans | -47.9 | 142.4 | 177 | 53.1 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 569 | S | 27.7 | Very low | 26.6 | Very low | 118 Ų | 118 | 123.6 Ų | 123.6 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | trans | -149.8 | 150.3 | 134 | 58.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 570 | E | 23 | Very low | 26.9 | Very low | 168 Ų | 168 | 121.6 Ų | 121.6 | 79% | 0.785 | 77% | 0.77 | S | S | * | * | trans | -76.4 | 175 | -168.1 | -61.4 | 146 | 136.7 | 0 | 0 | 114.7 | ||||
| 571 | F | 24.4 | Very low | 26.9 | Very low | 211 Ų | 211 | 117.8 Ų | 117.8 | 93% | 0.925 | 76% | 0.756 | S | S | * | * | trans | 82.4 | 137.2 | 173.5 | -63.6 | -89.8 | 0 | 0 | 0 | 119.1 | ||||
| 572 | G | 25 | Very low | 27.2 | Very low | 68 Ų | 68 | 117 Ų | 117 | 70% | 0.701 | 74% | 0.744 | S | S | * | * | trans | 110.6 | 117.1 | 157.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 573 | S | 24.3 | Very low | 27.4 | Very low | 117 Ų | 117 | 114.4 Ų | 114.4 | 82% | 0.818 | 72% | 0.718 | S | S | * | * | trans | -69 | 138.4 | 153.9 | -168.6 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 574 | T | 26.9 | Very low | 27.6 | Very low | 120 Ų | 120 | 121.6 Ų | 121.6 | 74% | 0.736 | 72% | 0.719 | S | S | * | * | trans | -147.7 | 110.6 | 175.9 | 47 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 575 | D | 27.3 | Very low | 27.8 | Very low | 138 Ų | 138 | 121.2 Ų | 121.2 | 74% | 0.738 | 72% | 0.715 | S | S | * | * | trans | -62.9 | 145.1 | 176.8 | -66.1 | -77.9 | 0 | 0 | 0 | 112.9 | T577 | D575-T577 PolarHBondContact O-N 2.88Š| ||
| 576 | V | 26.6 | Very low | 27.9 | Very low | 117 Ų | 117 | 121.4 Ų | 121.4 | 71% | 0.709 | 72% | 0.716 | S | S | * | * | trans | -85.5 | 81.9 | -173.2 | -171.1 | 0 | 0 | 0 | 0 | 110 | V578 | V576-V578 HydrophobicContact CG1-CG2 3.92Å; V576-V578 PolarHBondContact O-N 3.45Å | ||
| 577 | T | 27.5 | Very low | 28.2 | Very low | 122 Ų | 122 | 121.3 Ų | 121.3 | 75% | 0.748 | 71% | 0.706 | S | S | * | * | trans | -63.8 | 96.1 | 164 | 52.8 | 0 | 0 | 0 | 0 | 109.5 | D575 H579 | D575-T577 PolarHBondContact O-N 2.88Å; T577-H579 VanDerWaalsContact C-N 3.29Å; T577-H579 PolarHBondContact O-N 3.36Å | ||
| 578 | V | 27.5 | Very low | 28.3 | Very low | 84 Ų | 84 | 120.3 Ų | 120.3 | 51% | 0.509 | 70% | 0.7 | S | S | . | * | trans | -70.8 | 83.1 | 179.1 | -177 | 0 | 0 | 0 | 0 | 110 | V576 L580 L598 | V576-V578 HydrophobicContact CG1-CG2 3.92Å; V576-V578 PolarHBondContact O-N 3.45Å; V578-L580 PolarHBondContact O-N 2.87Å; V578-L598 HydrophobicContact CG1-CD2 3.65Å | ||
| 579 | H | 28.9 | Very low | 28.8 | Very low | 161 Ų | 161 | 120.2 Ų | 120.2 | 75% | 0.745 | 69% | 0.694 | S | S | * | * | trans | -68.5 | 98.7 | 173.4 | -119 | -43.1 | 0 | 0 | 0 | 110 | T577 | T577-H579 VanDerWaalsContact C-N 3.29Å; T577-H579 PolarHBondContact O-N 3.36Å | ||
| 580 | L | 30.9 | Very low | 29.2 | Very low | 63 Ų | 63 | 121.3 Ų | 121.3 | 33% | 0.33 | 69% | 0.686 | S | S | . | * | P | Polyproline II helix | trans | -57.9 | 130.8 | 172.4 | -80.1 | 165.4 | 0 | 0 | 0 | 110.1 | V386 V578 S582 L598 | V386-L580 HydrophobicContact CG2-CD1 4.11Å; V578-L580 PolarHBondContact O-N 2.87Å; L580-S582 PolarHBondContact O-N 3.31Å; L580-L598 HydrophobicContact CD2-CD1 3.72Å |
| 581 | P | 25.9 | Very low | 29.9 | Very low | 93 Ų | 93 | 118.7 Ų | 118.7 | 60% | 0.604 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 116.8 | -171.9 | 25.7 | -33.4 | 0 | 0 | 0 | 111.9 | L594 | P581-L594 HydrophobicContact CG-CD1 4.04Š|
| 582 | S | 30.4 | Very low | 30.5 | Very low | 88 Ų | 88 | 118.1 Ų | 118.1 | 62% | 0.615 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -47.6 | 133.4 | -176.3 | -171.9 | 0 | 0 | 0 | 0 | 113.5 | L580 R584 | L580-S582 PolarHBondContact O-N 3.31Å; S582-R584 PolarHBondContact O-N 2.88Å |
| 583 | P | 33.6 | Very low | 31 | Very low | 52 Ų | 52 | 116.7 Ų | 116.7 | 34% | 0.338 | 65% | 0.646 | S | S | . | * | S | Bend | trans | -76.1 | 85.2 | -164.2 | 30.2 | -37 | 0 | 0 | 0 | 113.6 | ||
| 584 | R | 31.9 | Very low | 31.6 | Very low | 236 Ų | 236 | 114.4 Ų | 114.4 | 89% | 0.891 | 63% | 0.625 | S | S | * | * | trans | -121.4 | 13.8 | 173.1 | -72.2 | -171.1 | 169.6 | -170 | -1.9 | 115.3 | S582 | S582-R584 PolarHBondContact O-N 2.88Š| ||
| 585 | G | 31.3 | Very low | 32.3 | Very low | 64 Ų | 64 | 113 Ų | 113 | 66% | 0.66 | 61% | 0.611 | S | S | * | * | trans | -117.6 | 117 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | N587 | G585-N587 PolarHBondContact O-N 3.42Š| ||
| 586 | N | 31.5 | Very low | 32.9 | Very low | 172 Ų | 172 | 111.2 Ų | 111.2 | 92% | 0.92 | 60% | 0.602 | S | S | * | * | trans | -78.6 | 32.5 | -176.7 | -84.5 | 7.7 | 0 | 0 | 0 | 115.6 | ||||
| 587 | N | 31.8 | Very low | 33.3 | Very low | 113 Ų | 113 | 111.3 Ų | 111.3 | 60% | 0.604 | 60% | 0.595 | S | S | * | * | trans | -117.1 | 104.4 | -178.3 | -89.8 | -19.4 | 0 | 0 | 0 | 112.1 | G585 T589 | G585-N587 PolarHBondContact O-N 3.42Å; N587-T589 VanDerWaalsContact C-N 3.31Å; N587-T589 PolarHBondContact O-N 2.79Å | ||
| 588 | P | 33.9 | Very low | 33.8 | Very low | 104 Ų | 104 | 107.7 Ų | 107.7 | 68% | 0.675 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -69.9 | -24.5 | -176 | 27.4 | -34.6 | 0 | 0 | 0 | 113.7 | H590 R591 | P588-H590 VanDerWaalsContact C-N 3.33Å; P588-H590 PolarHBondContact O-N 3.04Å; P588-R591 PolarHBondContact O-N 3.25Å |
| 589 | T | 34.7 | Very low | 34.4 | Very low | 115 Ų | 115 | 106.4 Ų | 106.4 | 71% | 0.706 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -67.1 | -29.3 | -178.5 | 47.3 | 0 | 0 | 0 | 0 | 113.8 | N587 | N587-T589 VanDerWaalsContact C-N 3.31Å; N587-T589 PolarHBondContact O-N 2.79Å |
| 590 | H | 36.9 | Very low | 34.7 | Very low | 142 Ų | 142 | 104.2 Ų | 104.2 | 66% | 0.657 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -75.3 | -28.2 | 179.3 | -108.7 | -80.9 | 0 | 0 | 0 | 113.1 | P588 G593 L594 | P588-H590 VanDerWaalsContact C-N 3.33Å; P588-H590 PolarHBondContact O-N 3.04Å; H590-G593 PolarHBondContact O-N 3.26Å; H590-L594 PolarHBondContact O-N 2.74Å; H590-L594 VanDerWaalsContact O-N 3.12Å |
| 591 | R | 36.9 | Very low | 34.9 | Very low | 113 Ų | 113 | 105.3 Ų | 105.3 | 43% | 0.426 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -63.5 | -45.8 | -176.6 | -80.9 | -172.2 | 167.6 | -160.6 | -6 | 112.8 | P588 G593 L594 I595 | P588-R591 PolarHBondContact O-N 3.25Å; R591-G593 VanDerWaalsContact C-N 3.31Å; R591-G593 PolarHBondContact O-N 3.09Å; R591-L594 PolarHBondContact O-N 2.66Å; R591-I595 WeakPolarHBondContact O-CG1 3.22Å; R591-I595 PolarHBondContact O-N 2.98Å |
| 592 | R | 36.6 | Very low | 35.4 | Very low | 199 Ų | 199 | 104.5 Ų | 104.5 | 75% | 0.751 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -62.6 | -36 | 178.5 | -80.3 | -173.9 | 169 | -172.3 | -6.2 | 112.8 | N596 | R592-N596 PolarHBondContact O-N 2.77Å; R592-N596 PolarHBondContact O-OD1 2.95Å |
| 593 | G | 35.2 | Very low | 35.5 | Very low | 38 Ų | 38 | 106.2 Ų | 106.2 | 39% | 0.392 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -65.8 | -42.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | H590 R591 N596 Q597 | H590-G593 PolarHBondContact O-N 3.26Å; R591-G593 VanDerWaalsContact C-N 3.31Å; R591-G593 PolarHBondContact O-N 3.09Å; G593-N596 PolarHBondContact O-N 3.15Å; G593-Q597 WeakPolarHBondContact O-CG 2.99Å; G593-Q597 PolarHBondContact O-N 3Å |
| 594 | L | 36.8 | Very low | 35.5 | Very low | 69 Ų | 69 | 110.6 Ų | 110.6 | 36% | 0.361 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -68.7 | -38.6 | -178.3 | -135.8 | 168 | 0 | 0 | 0 | 112.3 | P581 H590 R591 Q597 L598 | P581-L594 HydrophobicContact CG-CD1 4.04Å; H590-L594 PolarHBondContact O-N 2.74Å; H590-L594 VanDerWaalsContact O-N 3.12Å; R591-L594 PolarHBondContact O-N 2.66Å; L594-Q597 PolarHBondContact O-N 2.94Å; L594-L598 HydrophobicContact CD2-CD1 3.84Å; L594-L598 HydrophobicContact CD2-CG 4.06Å; L594-L598 WeakPolarHBondContact O-CG 3.39Å; L594-L598 PolarHBondContact O-N 2.82Å |
| 595 | I | 41.9 | Very low | 35.6 | Very low | 90 Ų | 90 | 104.5 Ų | 104.5 | 46% | 0.462 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -62 | -45.8 | 173.5 | -68.8 | 166.1 | 0 | 0 | 0 | 110.6 | R591 Q597 L598 L599 | R591-I595 WeakPolarHBondContact O-CG1 3.22Å; R591-I595 PolarHBondContact O-N 2.98Å; I595-Q597 VanDerWaalsContact C-N 3.32Å; I595-Q597 PolarHBondContact O-N 3.23Å; I595-L598 PolarHBondContact O-N 3.26Å; I595-L599 HydrophobicContact CG2-CD1 4.19Å; I595-L599 PolarHBondContact O-N 3.44Å |
| 596 | N | 39.7 | Very low | 35.6 | Very low | 100 Ų | 100 | 105 Ų | 105 | 54% | 0.535 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -66.7 | -31.8 | 177.5 | -70.8 | 24.8 | 0 | 0 | 0 | 112.9 | R592 G593 Q600 | R592-N596 PolarHBondContact O-N 2.77Å; R592-N596 PolarHBondContact O-OD1 2.95Å; G593-N596 PolarHBondContact O-N 3.15Å; N596-Q600 WeakPolarHBondContact O-CG 3.46Å; N596-Q600 PolarHBondContact O-N 3.3Å; N596-Q600 VanDerWaalsContact O-N 3.13Å |
| 597 | Q | 34.6 | Very low | 35.6 | Very low | 120 Ų | 120 | 103.5 Ų | 103.5 | 56% | 0.561 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -71.9 | -35.7 | 172.6 | -73.8 | -174.7 | -66 | 0 | 0 | 112.4 | G593 L594 I595 Q600 I601 | G593-Q597 WeakPolarHBondContact O-CG 2.99Å; G593-Q597 PolarHBondContact O-N 3Å; L594-Q597 PolarHBondContact O-N 2.94Å; I595-Q597 VanDerWaalsContact C-N 3.32Å; I595-Q597 PolarHBondContact O-N 3.23Å; Q597-Q600 PolarHBondContact O-N 2.9Å; Q597-I601 WeakPolarHBondContact O-CB 3.4Å; Q597-I601 WeakPolarHBondContact O-CD1 3.4Å; Q597-I601 VanDerWaalsContact O-CG1 3.22Å; Q597-I601 WeakPolarHBondContact O-CG1 3.31Å; Q597-I601 PolarHBondContact O-N 2.73Å |
| 598 | L | 38.8 | Very low | 35.4 | Very low | 45 Ų | 45 | 107.3 Ų | 107.3 | 24% | 0.236 | 56% | 0.563 | C | S | . | * | H | α-helix | trans | -67.2 | -40.5 | 174.5 | -75.6 | 167.7 | 0 | 0 | 0 | 111.8 | V578 L580 L594 I595 I601 V602 | V578-L598 HydrophobicContact CG1-CD2 3.65Å; L580-L598 HydrophobicContact CD2-CD1 3.72Å; L594-L598 HydrophobicContact CD2-CD1 3.84Å; L594-L598 HydrophobicContact CD2-CG 4.06Å; L594-L598 WeakPolarHBondContact O-CG 3.39Å; L594-L598 PolarHBondContact O-N 2.82Å; I595-L598 PolarHBondContact O-N 3.26Å; L598-I601 PolarHBondContact O-N 3.37Å; L598-V602 WeakPolarHBondContact O-CG2 3.48Å; L598-V602 PolarHBondContact O-N 3.25Å |
| 599 | L | 40.3 | Very low | 35.1 | Very low | 58 Ų | 58 | 106 Ų | 106 | 30% | 0.304 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -52.5 | -56.4 | 168.3 | -84.9 | 154.7 | 0 | 0 | 0 | 111.1 | L389 I595 I601 V602 E603 | L389-L599 HydrophobicContact CD1-CD2 4.43Å; L389-L599 HydrophobicContact CD2-CD2 3.57Å; I595-L599 HydrophobicContact CG2-CD1 4.19Å; I595-L599 PolarHBondContact O-N 3.44Å; L599-I601 VanDerWaalsContact C-N 3.27Å; L599-I601 PolarHBondContact O-N 3.07Å; L599-V602 PolarHBondContact O-N 3.34Å; L599-V602 VanDerWaalsContact O-N 3.13Å; L599-E603 WeakPolarHBondContact O-CB 3.35Å; L599-E603 VanDerWaalsContact O-CG 3.28Å; L599-E603 WeakPolarHBondContact O-CG 3.28Å; L599-E603 PolarHBondContact O-N 2.69Å |
| 600 | Q | 35.2 | Very low | 34.8 | Very low | 114 Ų | 114 | 109.2 Ų | 109.2 | 53% | 0.533 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -60.8 | -30.9 | 179.5 | -73.9 | -169.4 | -45.4 | 0 | 0 | 114.4 | N596 Q597 Q604 | N596-Q600 WeakPolarHBondContact O-CG 3.46Å; N596-Q600 PolarHBondContact O-N 3.3Å; N596-Q600 VanDerWaalsContact O-N 3.13Å; Q597-Q600 PolarHBondContact O-N 2.9Å; Q600-Q604 WeakPolarHBondContact O-CB 3.46Å; Q600-Q604 VanDerWaalsContact O-CG 3.23Å; Q600-Q604 WeakPolarHBondContact O-CG 3.29Å; Q600-Q604 PolarHBondContact O-N 2.96Å; Q600-Q604 VanDerWaalsContact O-N 3.16Å |
| 601 | I | 35.2 | Very low | 34.4 | Very low | 86 Ų | 86 | 106.3 Ų | 106.3 | 44% | 0.441 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -74.2 | -39.2 | 177.1 | -71.3 | 164 | 0 | 0 | 0 | 110.7 | Q597 L598 L599 Q604 V605 | Q597-I601 WeakPolarHBondContact O-CB 3.4Å; Q597-I601 WeakPolarHBondContact O-CD1 3.4Å; Q597-I601 VanDerWaalsContact O-CG1 3.22Å; Q597-I601 WeakPolarHBondContact O-CG1 3.31Å; Q597-I601 PolarHBondContact O-N 2.73Å; L598-I601 PolarHBondContact O-N 3.37Å; L599-I601 VanDerWaalsContact C-N 3.27Å; L599-I601 PolarHBondContact O-N 3.07Å; I601-Q604 PolarHBondContact O-N 2.8Å; I601-V605 WeakPolarHBondContact O-CG2 3.38Å; I601-V605 PolarHBondContact O-N 3.4Å; I601-V605 VanDerWaalsContact O-N 3.14Å |
| 602 | V | 36.2 | Very low | 33.9 | Very low | 77 Ų | 77 | 105.1 Ų | 105.1 | 47% | 0.467 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -68.6 | -43.2 | 174.9 | 176.3 | 0 | 0 | 0 | 0 | 111.1 | L389 L598 L599 Q604 V605 G606 | L389-V602 HydrophobicContact CD1-CB 4.11Å; L389-V602 HydrophobicContact CD1-CG1 3.85Å; L389-V602 HydrophobicContact CD1-CG2 4.28Å; L598-V602 WeakPolarHBondContact O-CG2 3.48Å; L598-V602 PolarHBondContact O-N 3.25Å; L599-V602 PolarHBondContact O-N 3.34Å; L599-V602 VanDerWaalsContact O-N 3.13Å; V602-Q604 PolarHBondContact O-N 2.65Å; V602-V605 PolarHBondContact O-N 3.04Å; V602-V605 VanDerWaalsContact O-N 3.15Å; V602-G606 PolarHBondContact O-N 3.12Å |
| 603 | E | 33.1 | Very low | 33.5 | Very low | 123 Ų | 123 | 99.5 Ų | 99.5 | 58% | 0.575 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -55.9 | -32.3 | 172.9 | -72.4 | 164.8 | -170.9 | 0 | 0 | 112.8 | L599 | L599-E603 WeakPolarHBondContact O-CB 3.35Å; L599-E603 VanDerWaalsContact O-CG 3.28Å; L599-E603 WeakPolarHBondContact O-CG 3.28Å; L599-E603 PolarHBondContact O-N 2.69Å |
| 604 | Q | 32.2 | Very low | 33.1 | Very low | 144 Ų | 144 | 101.2 Ų | 101.2 | 67% | 0.673 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -84.2 | -25.4 | 178.6 | -77.1 | 176.6 | 2.9 | 0 | 0 | 114.1 | Q600 I601 V602 | Q600-Q604 WeakPolarHBondContact O-CB 3.46Å; Q600-Q604 VanDerWaalsContact O-CG 3.23Å; Q600-Q604 WeakPolarHBondContact O-CG 3.29Å; Q600-Q604 PolarHBondContact O-N 2.96Å; Q600-Q604 VanDerWaalsContact O-N 3.16Å; I601-Q604 PolarHBondContact O-N 2.8Å; V602-Q604 PolarHBondContact O-N 2.65Å |
| 605 | V | 34 | Very low | 32.8 | Very low | 109 Ų | 109 | 109 Ų | 109 | 66% | 0.661 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -84.2 | -27.9 | -179.8 | 170.5 | 0 | 0 | 0 | 0 | 112.1 | I601 V602 N607 | I601-V605 WeakPolarHBondContact O-CG2 3.38Å; I601-V605 PolarHBondContact O-N 3.4Å; I601-V605 VanDerWaalsContact O-N 3.14Å; V602-V605 PolarHBondContact O-N 3.04Å; V602-V605 VanDerWaalsContact O-N 3.15Å; V605-N607 VanDerWaalsContact C-N 3.26Å; V605-N607 PolarHBondContact O-N 2.82Å |
| 606 | G | 31.6 | Very low | 32.1 | Very low | 75 Ų | 75 | 112.3 Ų | 112.3 | 77% | 0.773 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.9 | 2.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | V602 | V602-G606 PolarHBondContact O-N 3.12Š|
| 607 | N | 31.1 | Very low | 31.5 | Very low | 139 Ų | 139 | 112 Ų | 112 | 74% | 0.743 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.5 | 13.5 | -162.3 | -152.9 | 15.5 | 0 | 0 | 0 | 115.7 | V605 | V605-N607 VanDerWaalsContact C-N 3.26Å; V605-N607 PolarHBondContact O-N 2.82Å |
| 608 | E | 28.4 | Very low | 31 | Very low | 193 Ų | 193 | 111.1 Ų | 111.1 | 90% | 0.902 | 68% | 0.684 | S | S | * | * | trans | -115.4 | 90 | 172.4 | -67.5 | -163.7 | 166.9 | 0 | 0 | 110.6 | ||||
| 609 | G | 27.9 | Very low | 30.4 | Very low | 78 Ų | 78 | 119 Ų | 119 | 80% | 0.804 | 71% | 0.711 | S | S | * | * | trans | -164.3 | 2.8 | -174 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 610 | I | 27.7 | Very low | 29.7 | Very low | 182 Ų | 182 | 123.3 Ų | 123.3 | 93% | 0.933 | 73% | 0.729 | S | S | * | * | trans | -133.3 | 119.3 | -179.5 | -54.9 | 179.5 | 0 | 0 | 0 | 110.1 | ||||
| 611 | G | 28.5 | Very low | 29.2 | Very low | 81 Ų | 81 | 123 Ų | 123 | 84% | 0.835 | 73% | 0.731 | S | S | * | * | trans | 160.6 | 56.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 612 | G | 26.8 | Very low | 28.7 | Very low | 87 Ų | 87 | 127.1 Ų | 127.1 | 90% | 0.897 | 74% | 0.741 | S | S | * | * | trans | -90.9 | 138.5 | 171 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 613 | G | 27.7 | Very low | 28.4 | Very low | 81 Ų | 81 | 133.3 Ų | 133.3 | 84% | 0.835 | 76% | 0.756 | S | S | * | * | trans | 159 | 72.3 | 171 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 614 | G | 27.5 | Very low | 28.3 | Very low | 74 Ų | 74 | 139 Ų | 139 | 76% | 0.763 | 77% | 0.772 | S | S | * | * | trans | 73.8 | 148.2 | 140.3 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 615 | R | 30.2 | Very low | 28.4 | Very low | 233 Ų | 233 | 138 Ų | 138 | 88% | 0.879 | 78% | 0.778 | S | S | * | * | trans | 64.1 | 149.2 | 158.7 | -70.4 | -176.6 | 176.6 | 147.1 | 1.5 | 118.9 | ||||
| 616 | E | 27.6 | Very low | 28.2 | Very low | 160 Ų | 160 | 135.5 Ų | 135.5 | 75% | 0.748 | 78% | 0.775 | S | S | * | * | cis | -158.9 | 155.6 | -32.5 | -134.4 | 173 | 159.3 | 0 | 0 | 110.6 | ||||
| 617 | S | 26.2 | Very low | 28.1 | Very low | 92 Ų | 92 | 138.8 Ų | 138.8 | 64% | 0.643 | 77% | 0.774 | S | S | * | * | trans | 32.3 | 94.5 | 156.2 | 67.5 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 618 | S | 24.8 | Very low | 28 | Very low | 103 Ų | 103 | 141.8 Ų | 141.8 | 72% | 0.72 | 78% | 0.775 | S | S | * | * | 70.8 | 164.5 | 121.7 | 80.6 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 619 | R | 25.7 | Very low | 28.2 | Very low | 210 Ų | 210 | 143.1 Ų | 143.1 | 79% | 0.792 | 77% | 0.771 | S | S | * | * | trans | 85.3 | 108.5 | 158 | -78.9 | -168.7 | 154.7 | 115.1 | 6.1 | 121.1 | ||||
| 620 | E | 25.7 | Very low | 28.3 | Very low | 148 Ų | 148 | 144.7 Ų | 144.7 | 69% | 0.692 | 77% | 0.77 | S | S | * | * | 72.3 | 101.7 | 119.4 | -68.7 | -178.2 | 116.6 | 0 | 0 | 119.9 | |||||
| 621 | D | 25 | Very low | 28.3 | Very low | 108 Ų | 108 | 139.2 Ų | 139.2 | 58% | 0.578 | 76% | 0.758 | S | S | * | * | 81.6 | 138.2 | 120.9 | -115.1 | -26.9 | 0 | 0 | 0 | 120.4 | |||||
| 622 | R | 25.8 | Very low | 28.4 | Very low | 172 Ų | 172 | 142 Ų | 142 | 65% | 0.649 | 76% | 0.755 | S | S | * | * | trans | 73.1 | 105.5 | 140.4 | -75.2 | 157.4 | -158.2 | 179.2 | 19.4 | 121.8 | ||||
| 623 | R | 28.8 | Very low | 28.6 | Very low | 208 Ų | 208 | 145.7 Ų | 145.7 | 79% | 0.785 | 75% | 0.748 | S | S | * | * | 117.4 | 114 | 104.8 | -80.1 | 165.8 | -168.9 | -179.3 | 4.9 | 117.6 | |||||
| 624 | R | 30.6 | Very low | 28.7 | Very low | 241 Ų | 241 | 146.6 Ų | 146.6 | 91% | 0.909 | 74% | 0.741 | S | S | * | * | trans | -46.3 | 152 | 147.9 | -59.1 | 173 | 172.8 | 173.4 | -4.2 | 111.8 | ||||
| 625 | P | 34.9 | Very low | 28.9 | Very low | 123 Ų | 123 | 150.9 Ų | 150.9 | 80% | 0.799 | 75% | 0.747 | S | S | * | * | -133.2 | 157.2 | 98.5 | 37.7 | -30.2 | 0 | 0 | 0 | 112.8 | |||||
| 626 | G | 30 | Very low | 28.9 | Very low | 57 Ų | 57 | 143.4 Ų | 143.4 | 59% | 0.588 | 74% | 0.742 | S | S | * | * | cis | 117.6 | 145.3 | -5.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 627 | L | 30.1 | Very low | 29.1 | Very low | 144 Ų | 144 | 140 Ų | 140 | 75% | 0.754 | 74% | 0.742 | S | S | * | * | trans | 78.1 | 146 | 168.3 | -48.3 | 149.3 | 0 | 0 | 0 | 113.5 | ||||
| 628 | R | 28.9 | Very low | 29.4 | Very low | 202 Ų | 202 | 141.9 Ų | 141.9 | 76% | 0.762 | 75% | 0.749 | S | S | * | * | cis | -160.9 | 171.5 | 1 | -114.5 | 165.9 | -173 | 160.8 | 5.7 | 106.8 | ||||
| 629 | R | 31.7 | Very low | 29.8 | Very low | 221 Ų | 221 | 142 Ų | 142 | 83% | 0.834 | 75% | 0.75 | S | S | * | * | cis | -162.7 | 160.3 | 23 | -144.3 | 169.8 | -175.2 | 171.6 | -1.1 | 111.7 | ||||
| 630 | S | 29.8 | Very low | 30.1 | Very low | 112 Ų | 112 | 139.4 Ų | 139.4 | 78% | 0.783 | 75% | 0.752 | S | S | * | * | trans | -12.7 | 148.9 | 154 | -173.2 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 631 | G | 29.1 | Very low | 30.9 | Very low | 66 Ų | 66 | 137.2 Ų | 137.2 | 68% | 0.68 | 75% | 0.751 | S | S | * | * | cis | 141.7 | 172.9 | 3 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 632 | N | 30 | Very low | 31.2 | Very low | 141 Ų | 141 | 138 Ų | 138 | 75% | 0.754 | 76% | 0.759 | S | S | * | * | trans | 74.5 | 111.8 | 177.6 | -81.4 | -16.3 | 0 | 0 | 0 | 120.7 | ||||
| 633 | Q | 30.9 | Very low | 31.5 | Very low | 164 Ų | 164 | 137 Ų | 137 | 77% | 0.766 | 77% | 0.766 | S | S | * | * | 72.9 | 123.5 | 127.9 | -61.3 | -178.5 | 33.8 | 0 | 0 | 123.2 | |||||
| 634 | S | 30.5 | Very low | 31.6 | Very low | 99 Ų | 99 | 131.4 Ų | 131.4 | 69% | 0.692 | 76% | 0.759 | S | S | * | * | trans | 89 | 125.8 | 139 | 76.3 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 635 | N | 30.7 | Very low | 31.5 | Very low | 165 Ų | 165 | 125.6 Ų | 125.6 | 88% | 0.882 | 75% | 0.75 | S | S | * | * | trans | 58.8 | 129.1 | 144.3 | -56.3 | -12.9 | 0 | 0 | 0 | 121.2 | ||||
| 636 | G | 30.1 | Very low | 31.4 | Very low | 75 Ų | 75 | 128 Ų | 128 | 77% | 0.773 | 75% | 0.751 | S | S | * | * | trans | 131.1 | 73.3 | 136.8 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 637 | A | 32.2 | Very low | 31.6 | Very low | 90 Ų | 90 | 132.6 Ų | 132.6 | 74% | 0.744 | 76% | 0.762 | S | S | * | * | trans | 42.4 | 135.4 | 137.1 | 0 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 638 | T | 31.8 | Very low | 32.2 | Very low | 130 Ų | 130 | 130.3 Ų | 130.3 | 80% | 0.798 | 76% | 0.756 | S | S | * | * | trans | 73.8 | 117.3 | 140.3 | 47.6 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 639 | S | 32.9 | Very low | 32.5 | Very low | 106 Ų | 106 | 130 Ų | 130 | 74% | 0.741 | 76% | 0.763 | S | S | * | * | trans | 62.4 | 117.6 | 137.7 | 60.2 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 640 | N | 32.5 | Very low | 32.5 | Very low | 155 Ų | 155 | 131 Ų | 131 | 83% | 0.829 | 77% | 0.766 | S | S | * | * | 38.1 | 150.7 | 105.2 | -86.3 | 12.9 | 0 | 0 | 0 | 120.7 | |||||
| 641 | P | 42.2 | Very low | 33.2 | Very low | 103 Ų | 103 | 130 Ų | 130 | 67% | 0.669 | 76% | 0.758 | S | S | * | * | cis | -146.6 | 175.3 | 0.3 | 41.9 | -21.6 | 0 | 0 | 0 | 118.5 | ||||
| 642 | V | 32.2 | Very low | 33.3 | Very low | 123 Ų | 123 | 134 Ų | 134 | 75% | 0.745 | 76% | 0.763 | S | S | * | * | trans | 77.2 | 130.7 | 132.1 | 152.2 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 643 | L | 31.8 | Very low | 33.6 | Very low | 152 Ų | 152 | 133.8 Ų | 133.8 | 80% | 0.796 | 77% | 0.767 | S | S | * | * | trans | 81.2 | 143.1 | 146.4 | -90.8 | 169.9 | 0 | 0 | 0 | 126.4 | ||||
| 644 | S | 30 | Very low | 33.7 | Very low | 91 Ų | 91 | 132.1 Ų | 132.1 | 64% | 0.636 | 77% | 0.768 | S | S | * | * | trans | 98.2 | 103.8 | 134.1 | 45.2 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 645 | T | 30.4 | Very low | 34.3 | Very low | 118 Ų | 118 | 132.4 Ų | 132.4 | 72% | 0.724 | 77% | 0.768 | S | S | * | * | 78.8 | 134.4 | 122.3 | 54.9 | 0 | 0 | 0 | 0 | 125.6 | |||||
| 646 | E | 31.8 | Very low | 34.4 | Very low | 174 Ų | 174 | 130.5 Ų | 130.5 | 81% | 0.813 | 76% | 0.762 | S | S | * | * | trans | 84 | 104.3 | 138.9 | -75.2 | 167.2 | -162.1 | 0 | 0 | 123.3 | ||||
| 647 | N | 33.3 | Very low | 34.6 | Very low | 154 Ų | 154 | 132.7 Ų | 132.7 | 82% | 0.824 | 76% | 0.761 | S | S | * | * | 15.3 | 167.6 | 114.2 | -102.3 | -7.3 | 0 | 0 | 0 | 121.3 | |||||
| 648 | P | 43.1 | Very low | 34.7 | Very low | 96 Ų | 96 | 134 Ų | 134 | 62% | 0.623 | 76% | 0.759 | S | S | * | * | cis | -136 | -179.5 | -26.8 | 36.4 | -18.5 | 0 | 0 | 0 | 113.6 | ||||
| 649 | Q | 36.5 | Very low | 34.9 | Very low | 196 Ų | 196 | 132.5 Ų | 132.5 | 92% | 0.916 | 75% | 0.754 | S | S | * | * | 170.1 | 166.3 | 128.8 | -91.7 | 174.5 | 10.7 | 0 | 0 | 115.1 | |||||
| 650 | R | 31.7 | Very low | 34.9 | Very low | 240 Ų | 240 | 133 Ų | 133 | 91% | 0.906 | 75% | 0.748 | S | S | * | * | trans | -123.3 | -172.1 | -170.3 | -124.4 | -176.1 | -167.1 | -170.1 | 5.8 | 108.2 | ||||
| 651 | P | 43.2 | Very low | 35 | Very low | 92 Ų | 92 | 134.3 Ų | 134.3 | 60% | 0.597 | 75% | 0.747 | S | S | * | * | cis | -141.5 | -166.1 | -16.5 | 40.4 | -19.7 | 0 | 0 | 0 | 115.6 | ||||
| 652 | N | 31.2 | Very low | 34.6 | Very low | 149 Ų | 149 | 133 Ų | 133 | 80% | 0.797 | 75% | 0.745 | S | S | * | * | trans | 73.1 | 126.4 | 149.3 | -65.8 | -7.6 | 0 | 0 | 0 | 123 | ||||
| 653 | V | 37.2 | Very low | 34.7 | Very low | 138 Ų | 138 | 132.1 Ų | 132.1 | 84% | 0.836 | 74% | 0.744 | S | S | * | * | 173.6 | 153.4 | 105 | 158.8 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 654 | T | 32.5 | Very low | 34.7 | Very low | 128 Ų | 128 | 133.2 Ų | 133.2 | 79% | 0.785 | 75% | 0.745 | S | S | * | * | trans | -124 | -162.7 | -171.9 | 51.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 655 | P | 43.7 | Very low | 34.8 | Very low | 106 Ų | 106 | 133.5 Ų | 133.5 | 69% | 0.688 | 75% | 0.747 | S | S | * | * | -127 | -143 | -76.3 | 40.8 | -23.3 | 0 | 0 | 0 | 113.1 | |||||
| 656 | T | 32.9 | Very low | 34.9 | Very low | 124 Ų | 124 | 133.7 Ų | 133.7 | 76% | 0.761 | 75% | 0.748 | S | S | * | * | trans | 80.1 | 150.4 | 172.8 | 75.8 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 657 | T | 32.6 | Very low | 34.9 | Very low | 121 Ų | 121 | 130 Ų | 130 | 74% | 0.742 | 74% | 0.741 | S | S | * | * | cis | -159.3 | 169.5 | -17.7 | 23.3 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 658 | V | 35.5 | Very low | 34.8 | Very low | 117 Ų | 117 | 133.4 Ų | 133.4 | 71% | 0.709 | 74% | 0.743 | S | S | * | * | 167.7 | 120.7 | 81.8 | 165.8 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 659 | S | 35 | Very low | 34.2 | Very low | 99 Ų | 99 | 133.5 Ų | 133.5 | 69% | 0.692 | 75% | 0.746 | S | S | * | * | trans | 57.8 | 164.3 | 146 | 92.4 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 660 | N | 34 | Very low | 33.8 | Very low | 117 Ų | 117 | 131.4 Ų | 131.4 | 63% | 0.626 | 74% | 0.736 | S | S | * | * | cis | -165.3 | 161.5 | 1.3 | -136 | -8.2 | 0 | 0 | 0 | 114.7 | ||||
| 661 | F | 34.7 | Very low | 33.8 | Very low | 182 Ų | 182 | 127.4 Ų | 127.4 | 80% | 0.798 | 73% | 0.728 | S | S | * | * | trans | 65.7 | 144 | 158.7 | -62.4 | -50.6 | 0 | 0 | 0 | 120.4 | ||||
| 662 | A | 33.9 | Very low | 33.1 | Very low | 76 Ų | 76 | 132 Ų | 132 | 63% | 0.628 | 73% | 0.733 | S | S | * | * | cis | -164.8 | 163.2 | -11.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 663 | S | 33.4 | Very low | 33.2 | Very low | 104 Ų | 104 | 131.1 Ų | 131.1 | 73% | 0.727 | 73% | 0.733 | S | S | * | * | trans | 62 | 137.4 | 161.2 | 38.1 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 664 | E | 32.7 | Very low | 32.8 | Very low | 176 Ų | 176 | 128.5 Ų | 128.5 | 82% | 0.822 | 72% | 0.722 | S | S | * | * | cis | -158.7 | 147.3 | -5.6 | -131 | 161.8 | -174.6 | 0 | 0 | 113.6 | ||||
| 665 | S | 31.5 | Very low | 32.8 | Very low | 96 Ų | 96 | 129.9 Ų | 129.9 | 67% | 0.671 | 72% | 0.724 | S | S | * | * | trans | 39.4 | 141.5 | 147.5 | 52.9 | 0 | 0 | 0 | 0 | 123 | ||||
| 666 | T | 33.5 | Very low | 32.1 | Very low | 122 Ų | 122 | 128.1 Ų | 128.1 | 75% | 0.748 | 73% | 0.725 | S | S | * | * | cis | -163 | 125.5 | 4.3 | 7.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 667 | S | 31.5 | Very low | 32.1 | Very low | 96 Ų | 96 | 131.9 Ų | 131.9 | 67% | 0.671 | 73% | 0.734 | S | S | * | * | 65.4 | 137.3 | 98.2 | 89 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 668 | R | 30.9 | Very low | 31.8 | Very low | 226 Ų | 226 | 134.6 Ų | 134.6 | 85% | 0.853 | 74% | 0.738 | S | S | * | * | cis | -144.9 | 156.8 | 20.6 | -55.5 | 172.6 | 172.5 | 159.9 | -3.5 | 108.6 | ||||
| 669 | S | 29.2 | Very low | 31.4 | Very low | 99 Ų | 99 | 137.3 Ų | 137.3 | 69% | 0.692 | 75% | 0.749 | S | S | * | * | cis | 69.4 | 144 | 32.8 | 83.9 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 670 | Q | 29 | Very low | 30.9 | Very low | 152 Ų | 152 | 136.5 Ų | 136.5 | 71% | 0.71 | 76% | 0.756 | S | S | * | * | cis | -163.4 | 178.6 | 19.8 | -155.3 | 165.2 | 23.1 | 0 | 0 | 111.9 | ||||
| 671 | E | 31.8 | Very low | 30.5 | Very low | 156 Ų | 156 | 135.1 Ų | 135.1 | 73% | 0.729 | 76% | 0.761 | S | S | * | * | trans | 94.6 | 148.6 | 161.3 | -54.2 | -145.4 | 126.5 | 0 | 0 | 119 | ||||
| 672 | R | 28.3 | Very low | 30.3 | Very low | 187 Ų | 187 | 132.9 Ų | 132.9 | 71% | 0.706 | 75% | 0.753 | S | S | * | * | cis | -172 | 162.4 | -45.8 | -121.3 | 174.3 | 177.7 | -178.5 | -0.5 | 111.2 | ||||
| 673 | T | 33.2 | Very low | 29.9 | Very low | 131 Ų | 131 | 132.6 Ų | 132.6 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | trans | 64.2 | 156.7 | 167.6 | 59.8 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 674 | S | 29.9 | Very low | 29.5 | Very low | 84 Ų | 84 | 133.7 Ų | 133.7 | 59% | 0.587 | 77% | 0.765 | S | S | * | * | cis | -165.6 | 164.1 | -43 | 54.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 675 | D | 31.6 | Very low | 29.3 | Very low | 156 Ų | 156 | 128.5 Ų | 128.5 | 83% | 0.834 | 75% | 0.748 | S | S | * | * | trans | 66.5 | 140.7 | 160.5 | -46.2 | -55.3 | 0 | 0 | 0 | 118.8 | ||||
| 676 | G | 29.3 | Very low | 29.3 | Very low | 69 Ų | 69 | 130.2 Ų | 130.2 | 71% | 0.711 | 76% | 0.755 | S | S | * | * | trans | 139 | 65.1 | 154.3 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 677 | E | 31.7 | Very low | 29.3 | Very low | 203 Ų | 203 | 131 Ų | 131 | 95% | 0.949 | 75% | 0.754 | S | S | * | * | trans | 68.4 | 155.7 | 147.5 | -52.4 | -164.7 | 139.2 | 0 | 0 | 120.7 | ||||
| 678 | E | 28.1 | Very low | 29.7 | Very low | 179 Ų | 179 | 131.5 Ų | 131.5 | 84% | 0.836 | 75% | 0.749 | S | S | * | * | trans | -90.2 | 139.7 | -174.1 | -55.1 | 166.2 | 128.3 | 0 | 0 | 110.9 | ||||
| 679 | N | 26.6 | Very low | 30.7 | Very low | 173 Ų | 173 | 123.9 Ų | 123.9 | 93% | 0.925 | 72% | 0.723 | S | S | * | * | 176.4 | 141.6 | 129.6 | -93.8 | -65.2 | 0 | 0 | 0 | 109.6 | |||||
| 680 | G | 24.3 | Very low | 32.3 | Very low | 82 Ų | 82 | 125.3 Ų | 125.3 | 85% | 0.845 | 71% | 0.713 | S | S | * | * | trans | -90.6 | 149.7 | -166 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 681 | A | 25.9 | Very low | 34.2 | Very low | 88 Ų | 88 | 119.8 Ų | 119.8 | 73% | 0.727 | 69% | 0.688 | S | S | * | * | trans | -141.5 | 129.5 | 165.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 682 | E | 29.3 | Very low | 36.6 | Very low | 135 Ų | 135 | 113.1 Ų | 113.1 | 63% | 0.631 | 66% | 0.658 | S | S | * | * | trans | 50.8 | 94.6 | 133.6 | -58.8 | 178.5 | 165.2 | 0 | 0 | 118.4 | ||||
| 683 | G | 25.2 | Very low | 39.1 | Very low | 70 Ų | 70 | 104.2 Ų | 104.2 | 72% | 0.722 | 62% | 0.624 | S | S | * | * | trans | -69.1 | 137.5 | 156.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | S685 | G683-S685 PolarHBondContact O-N 3.48Š| ||
| 684 | S | 26.8 | Very low | 41.6 | Very low | 128 Ų | 128 | 98 Ų | 98 | 90% | 0.895 | 59% | 0.586 | S | S | * | * | trans | -64.1 | 103 | -178.4 | -171.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 685 | S | 28.5 | Very low | 44.1 | Very low | 67 Ų | 67 | 96.5 Ų | 96.5 | 47% | 0.469 | 57% | 0.569 | S | S | . | * | trans | -84.3 | 113.9 | 172.6 | 56.3 | 0 | 0 | 0 | 0 | 109.7 | G683 L687 | G683-S685 PolarHBondContact O-N 3.48Å; S685-L687 PolarHBondContact O-N 2.9Å | ||
| 686 | T | 29.6 | Very low | 46.6 | Very low | 131 Ų | 131 | 89.1 Ų | 89.1 | 80% | 0.804 | 53% | 0.53 | S | S | * | . | trans | -50.5 | 120.1 | 166.2 | 46.8 | 0 | 0 | 0 | 0 | 109.6 | D688 | T686-D688 PolarHBondContact O-N 3.34Š| ||
| 687 | L | 35.1 | Very low | 49.3 | Very low | 139 Ų | 139 | 85.8 Ų | 85.8 | 73% | 0.728 | 50% | 0.496 | S | S | * | . | trans | -75.5 | 115.2 | 176.8 | -91.2 | 157.2 | 0 | 0 | 0 | 109 | S685 E689 | S685-L687 PolarHBondContact O-N 2.9Å; L687-E689 VanDerWaalsContact C-N 3.33Å; L687-E689 PolarHBondContact O-N 3.21Å | ||
| 688 | D | 39 | Very low | 51.8 | Low | 106 Ų | 106 | 76.3 Ų | 76.3 | 57% | 0.567 | 45% | 0.451 | S | S | * | . | trans | -55.1 | 93.4 | 165.4 | -78.2 | -9 | 0 | 0 | 0 | 109.3 | Y539 T686 R690 | Y539-D688 HydrophobicContact CD1-CB 4.49Å; Y539-D688 HydrophobicContact CE1-CB 4.37Å; T686-D688 PolarHBondContact O-N 3.34Å; D688-R690 PolarHBondContact O-N 3.45Å | ||
| 689 | E | 53 | Low | 54.1 | Low | 66 Ų | 66 | 68.9 Ų | 68.9 | 31% | 0.308 | 42% | 0.419 | S | S | . | . | trans | -66.6 | 108 | 169 | -68.5 | -127.9 | 139.7 | 0 | 0 | 107.6 | S540 L687 K1354 | S540-E689 PolarHBondContact N-O 3.2Å; S540-E689 WeakPolarHBondContact OG-CB 3.4Å; S540-E689 PolarHBondContact OG-O 2.92Å; L687-E689 VanDerWaalsContact C-N 3.33Å; L687-E689 PolarHBondContact O-N 3.21Å; E689-K1354 IonicContact OE2-NZ 3.15Å; E689-K1354 PolarHBondContact OE2-NZ 3.28Å | ||
| 690 | R | 62.2 | Low | 56.6 | Low | 130 Ų | 130 | 60.7 Ų | 60.7 | 49% | 0.491 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 108.6 | 171.2 | -66.6 | -172 | -174.8 | 172.7 | 5 | 108.9 | D537 V538 Y539 D688 | D537-R690 HydrophobicContact CB-CB 4.29Å; V538-R690 CarbonylContact O-C 3.55Å; V538-R690 VanDerWaalsContact O-CA 3.24Å; V538-R690 WeakPolarHBondContact O-CA 3.49Å; Y539-R690 HydrophobicContact CD1-CG 4.11Å; Y539-R690 HydrophobicContact CE1-CG 4.31Å; Y539-R690 PolarHBondContact OH-NH2 3.12Å; D688-R690 PolarHBondContact O-N 3.45Å |
| 691 | I | 69.3 | Low | 58.7 | Low | 36 Ų | 36 | 56.8 Ų | 56.8 | 19% | 0.185 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 133.5 | 173.9 | -65.1 | -173.6 | 0 | 0 | 0 | 108.4 | V538 G693 H695 M696 | V538-I691 PolarHBondContact N-O 3.48Å; V538-I691 PolarHBondContact O-N 3.49Å; I691-G693 PolarHBondContact O-N 3.2Å; I691-H695 HydrophobicContact CG2-CB 4.09Å; I691-M696 HydrophobicContact CG2-CB 4.34Å |
| 692 | N | 80.8 | Confident | 60.6 | Low | 16 Ų | 16 | 55.6 Ų | 55.6 | 9% | 0.086 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 133.7 | 177.1 | -176.9 | -103.9 | 0 | 0 | 0 | 110.5 | A536 D537 L694 H695 M696 Q865 | A536-N692 PolarHBondContact O-ND2 2.9Å; D537-N692 WeakPolarHBondContact OD1-CA 3.27Å; D537-N692 WeakPolarHBondContact OD1-CB 3.26Å; D537-N692 PolarHBondContact OD1-ND2 3.3Å; N692-L694 PolarHBondContact O-N 3.07Å; N692-L694 VanDerWaalsContact O-N 3.1Å; N692-L694 WeakPolarHBondContact OD1-CB 3.42Å; N692-L694 PolarHBondContact OD1-N 3.41Å; N692-H695 HydrophobicContact CB-CB 4.44Å; N692-H695 WeakPolarHBondContact O-CA 3.46Å; N692-H695 VanDerWaalsContact O-CB 3.29Å; N692-H695 WeakPolarHBondContact O-CB 3.48Å; N692-H695 PolarHBondContact O-N 3.34Å; N692-M696 PolarHBondContact O-N 3.07Å; N692-Q865 PolarHBondContact OD1-NE2 3.2Å |
| 693 | G | 81.6 | Confident | 62.2 | Low | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -59.9 | -29.4 | -172 | 0 | 0 | 0 | 0 | 0 | 114 | Y493 A536 I691 L697 | Y493-G693 VanDerWaalsContact CE1-C 3.43Å; Y493-G693 VanDerWaalsContact CE1-CA 3.44Å; Y493-G693 WeakPolarHBondContact CE1-O 3.39Å; A536-G693 PolarHBondContact O-N 2.82Å; I691-G693 PolarHBondContact O-N 3.2Å; G693-L697 WeakPolarHBondContact O-CG 3.31Å; G693-L697 PolarHBondContact O-N 2.88Å |
| 694 | L | 85.9 | Confident | 63.6 | Low | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -71.8 | -32.2 | 173.4 | -172.4 | 68.3 | 0 | 0 | 0 | 112.7 | V534 N692 F698 F718 L722 V862 Q865 | V534-L694 HydrophobicContact CG1-CD2 3.85Å; V534-L694 HydrophobicContact CG2-CD2 4.42Å; N692-L694 PolarHBondContact O-N 3.07Å; N692-L694 VanDerWaalsContact O-N 3.1Å; N692-L694 WeakPolarHBondContact OD1-CB 3.42Å; N692-L694 PolarHBondContact OD1-N 3.41Å; L694-F698 HydrophobicContact CD1-CD1 4.21Å; L694-F698 HydrophobicContact CD1-CE1 3.42Å; L694-F698 VanDerWaalsContact CD1-CE1 3.42Å; L694-F698 HydrophobicContact CD1-CE2 4.29Å; L694-F698 HydrophobicContact CD1-CZ 3.47Å; L694-F698 VanDerWaalsContact CD1-CZ 3.47Å; L694-F698 HydrophobicContact CD2-CE2 4.04Å; L694-F698 HydrophobicContact CD2-CZ 3.83Å; L694-F698 HydrophobicContact CG-CD1 4.44Å; L694-F698 HydrophobicContact CG-CD2 4.43Å; L694-F698 HydrophobicContact CG-CE1 3.87Å; L694-F698 HydrophobicContact CG-CE2 3.87Å; L694-F698 HydrophobicContact CG-CZ 3.55Å; L694-F698 WeakPolarHBondContact O-CB 3.39Å; L694-F698 WeakPolarHBondContact O-CD1 3.39Å; L694-F698 WeakPolarHBondContact O-CG 3.47Å; L694-F698 PolarHBondContact O-N 3.24Å; L694-F718 HydrophobicContact CD1-CD1 4.42Å; L694-F718 HydrophobicContact CD1-CE1 3.61Å; L694-F718 HydrophobicContact CD1-CZ 4.4Å; L694-L722 HydrophobicContact CD1-CD1 4.38Å; L694-V862 HydrophobicContact CD2-CG2 4.09Å; L694-Q865 HydrophobicContact CB-CG 4.32Å; L694-Q865 HydrophobicContact CD2-CB 4.48Å; L694-Q865 HydrophobicContact CD2-CG 4.27Å |
| 695 | H | 81.7 | Confident | 65.1 | Low | 52 Ų | 52 | 49.7 Ų | 49.7 | 24% | 0.241 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -66.6 | -44.4 | 174.3 | -172.2 | -63.4 | 0 | 0 | 0 | 110.8 | I691 N692 L697 F698 S699 Q865 H866 | I691-H695 HydrophobicContact CG2-CB 4.09Å; N692-H695 HydrophobicContact CB-CB 4.44Å; N692-H695 WeakPolarHBondContact O-CA 3.46Å; N692-H695 VanDerWaalsContact O-CB 3.29Å; N692-H695 WeakPolarHBondContact O-CB 3.48Å; N692-H695 PolarHBondContact O-N 3.34Å; H695-L697 PolarHBondContact O-N 3.4Å; H695-F698 CarbonylContact O-C 3.58Å; H695-F698 WeakPolarHBondContact O-CA 3.24Å; H695-F698 WeakPolarHBondContact O-CB 3.41Å; H695-F698 PolarHBondContact O-N 3.45Å; H695-S699 PolarHBondContact O-N 2.73Å; H695-S699 PolarHBondContact O-OG 2.68Å; H695-Q865 HydrophobicContact CB-CB 4.31Å; H695-H866 AromaticContact CD2-CD2 3.85Å; H695-H866 AromaticContact NE2-CD2 3.63Å |
| 696 | M | 84.3 | Confident | 67.1 | Low | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.005 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -58.5 | -44.9 | 175.6 | -177.3 | 179.5 | 67.5 | 0 | 0 | 111.7 | Y493 I496 A497 Y501 V538 I691 N692 F698 S699 I700 | Y493-M696 HydrophobicContact CD1-CE 3.89Å; I496-M696 HydrophobicContact CB-CE 4.23Å; I496-M696 HydrophobicContact CG2-CE 3.85Å; A497-M696 HydrophobicContact CB-CE 4Å; A497-M696 HydrophobicContact CB-SD 3.62Å; Y501-M696 HydrophobicContact CE2-CG 4.33Å; Y501-M696 HydrophobicContact CE2-SD 3.67Å; V538-M696 HydrophobicContact CG1-CE 4.39Å; V538-M696 HydrophobicContact CG2-CE 4.23Å; I691-M696 HydrophobicContact CG2-CB 4.34Å; N692-M696 PolarHBondContact O-N 3.07Å; M696-F698 PolarHBondContact O-N 2.86Å; M696-S699 WeakPolarHBondContact O-CB 3.46Å; M696-S699 PolarHBondContact O-N 3.41Å; M696-S699 VanDerWaalsContact O-N 3.13Å; M696-I700 PolarHBondContact O-N 2.94Å |
| 697 | L | 85.9 | Confident | 69.5 | Low | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.6 | -27.8 | 173.3 | -76.1 | 173.3 | 0 | 0 | 0 | 113.9 | Y493 I496 V517 G693 H695 I700 S701 V715 F718 | Y493-L697 HydrophobicContact CE1-CD1 3.9Å; Y493-L697 HydrophobicContact CE1-CG 4.3Å; I496-L697 HydrophobicContact CD1-CD2 4.17Å; I496-L697 HydrophobicContact CG2-CD2 3.97Å; V517-L697 HydrophobicContact CG2-CD2 3.52Å; G693-L697 WeakPolarHBondContact O-CG 3.31Å; G693-L697 PolarHBondContact O-N 2.88Å; H695-L697 PolarHBondContact O-N 3.4Å; L697-I700 HydrophobicContact CD2-CD1 4.18Å; L697-S701 PolarHBondContact O-OG 3.14Å; L697-V715 HydrophobicContact CD2-CG2 4.42Å; L697-F718 HydrophobicContact CD1-CD1 4.34Å; L697-F718 HydrophobicContact CD1-CE1 3.82Å |
| 698 | F | 85.1 | Confident | 71.8 | Confident | 4 Ų | 4 | 45.7 Ų | 45.7 | 2% | 0.018 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -88.4 | -11.6 | 179.4 | -72.3 | 7.6 | 0 | 0 | 0 | 113 | L694 H695 M696 R702 V715 I719 V862 Q865 V870 | L694-F698 HydrophobicContact CD1-CD1 4.21Å; L694-F698 HydrophobicContact CD1-CE1 3.42Å; L694-F698 VanDerWaalsContact CD1-CE1 3.42Å; L694-F698 HydrophobicContact CD1-CE2 4.29Å; L694-F698 HydrophobicContact CD1-CZ 3.47Å; L694-F698 VanDerWaalsContact CD1-CZ 3.47Å; L694-F698 HydrophobicContact CD2-CE2 4.04Å; L694-F698 HydrophobicContact CD2-CZ 3.83Å; L694-F698 HydrophobicContact CG-CD1 4.44Å; L694-F698 HydrophobicContact CG-CD2 4.43Å; L694-F698 HydrophobicContact CG-CE1 3.87Å; L694-F698 HydrophobicContact CG-CE2 3.87Å; L694-F698 HydrophobicContact CG-CZ 3.55Å; L694-F698 WeakPolarHBondContact O-CB 3.39Å; L694-F698 WeakPolarHBondContact O-CD1 3.39Å; L694-F698 WeakPolarHBondContact O-CG 3.47Å; L694-F698 PolarHBondContact O-N 3.24Å; H695-F698 CarbonylContact O-C 3.58Å; H695-F698 WeakPolarHBondContact O-CA 3.24Å; H695-F698 WeakPolarHBondContact O-CB 3.41Å; H695-F698 PolarHBondContact O-N 3.45Å; M696-F698 PolarHBondContact O-N 2.86Å; F698-R702 WeakPolarHBondContact O-CG 3.14Å; F698-V715 HydrophobicContact CD1-CG1 4.14Å; F698-V715 HydrophobicContact CE1-CG1 4.32Å; F698-I719 HydrophobicContact CD1-CD1 4.15Å; F698-I719 HydrophobicContact CE1-CD1 3.47Å; F698-I719 VanDerWaalsContact CE1-CD1 3.47Å; F698-I719 HydrophobicContact CE1-CG1 3.48Å; F698-I719 VanDerWaalsContact CE1-CG1 3.48Å; F698-I719 HydrophobicContact CZ-CD1 3.84Å; F698-I719 HydrophobicContact CZ-CG1 3.7Å; F698-V862 HydrophobicContact CE2-CG1 4.27Å; F698-V862 HydrophobicContact CZ-CG1 4.25Å; F698-Q865 HydrophobicContact CD2-CB 4.35Å; F698-Q865 VanDerWaalsContact CD2-O 3.31Å; F698-Q865 WeakPolarHBondContact CD2-O 3.41Å; F698-Q865 HydrophobicContact CE2-CB 4.44Å; F698-V870 HydrophobicContact CB-CG2 3.93Å; F698-V870 HydrophobicContact CG-CG2 4.31Å; F698-V870 WeakPolarHBondContact O-CG2 3.31Å |
| 699 | S | 76.7 | Confident | 74.1 | Confident | 23 Ų | 23 | 42.4 Ų | 42.4 | 16% | 0.161 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -77.6 | -49.8 | 171.2 | -77.8 | 0 | 0 | 0 | 0 | 110.9 | H695 M696 S701 R702 E703 | H695-S699 PolarHBondContact O-N 2.73Å; H695-S699 PolarHBondContact O-OG 2.68Å; M696-S699 WeakPolarHBondContact O-CB 3.46Å; M696-S699 PolarHBondContact O-N 3.41Å; M696-S699 VanDerWaalsContact O-N 3.13Å; S699-S701 PolarHBondContact O-N 3.24Å; S699-R702 WeakPolarHBondContact O-CA 3.26Å; S699-R702 WeakPolarHBondContact O-CB 3.42Å; S699-R702 PolarHBondContact O-N 3.13Å; S699-E703 VanDerWaalsContact C-CD 3.46Å; S699-E703 WeakPolarHBondContact CB-OE1 3.43Å; S699-E703 VanDerWaalsContact CB-OE2 3.23Å; S699-E703 WeakPolarHBondContact CB-OE2 3.3Å; S699-E703 VanDerWaalsContact O-CD 3.3Å; S699-E703 PolarHBondContact O-N 3.38Å; S699-E703 VanDerWaalsContact O-N 3.07Å |
| 700 | I | 78 | Confident | 75.7 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -45.3 | -33.5 | 170.5 | -60.7 | 171.9 | 0 | 0 | 0 | 113.5 | I496 V500 T513 M696 L697 R702 E703 W707 V711 H712 | I496-I700 HydrophobicContact CG2-CD1 3.89Å; V500-I700 HydrophobicContact CG2-CD1 3.46Å; V500-I700 VanDerWaalsContact CG2-CD1 3.46Å; V500-I700 HydrophobicContact CG2-CG1 3.5Å; V500-I700 VanDerWaalsContact CG2-CG1 3.5Å; T513-I700 HydrophobicContact CG2-CD1 4.18Å; M696-I700 PolarHBondContact O-N 2.94Å; L697-I700 HydrophobicContact CD2-CD1 4.18Å; I700-R702 PolarHBondContact O-N 3.34Å; I700-E703 PolarHBondContact N-OE2 3.34Å; I700-W707 HydrophobicContact CG1-CZ2 4.42Å; I700-W707 HydrophobicContact CG2-CD2 3.86Å; I700-W707 HydrophobicContact CG2-CE3 4.44Å; I700-W707 HydrophobicContact CG2-CG 3.96Å; I700-W707 HydrophobicContact CG2-CZ2 4.38Å; I700-V711 HydrophobicContact CG2-CG1 3.87Å; I700-H712 PolarHBondContact O-NE2 3.37Å |
| 701 | S | 69.6 | Low | 77.1 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | 8.9 | -177.7 | -58.7 | 0 | 0 | 0 | 0 | 113.5 | L697 S699 Y873 H874 | L697-S701 PolarHBondContact O-OG 3.14Å; S699-S701 PolarHBondContact O-N 3.24Å; S701-Y873 WeakPolarHBondContact O-CD1 3.44Å; S701-Y873 WeakPolarHBondContact O-CE1 3.48Å; S701-H874 WeakPolarHBondContact CB-NE2 3.31Å; S701-H874 PolarHBondContact O-CE1 3.08Å; S701-H874 PolarHBondContact O-NE2 3.17Å |
| 702 | R | 65.7 | Low | 78 | Confident | 63 Ų | 63 | 35 Ų | 35 | 24% | 0.238 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -142.1 | -34.8 | -172.9 | -55.4 | -174.2 | 71.3 | -121.7 | -10.6 | 113.8 | F698 S699 I700 V870 D1434 | F698-R702 WeakPolarHBondContact O-CG 3.14Å; S699-R702 WeakPolarHBondContact O-CA 3.26Å; S699-R702 WeakPolarHBondContact O-CB 3.42Å; S699-R702 PolarHBondContact O-N 3.13Å; I700-R702 PolarHBondContact O-N 3.34Å; R702-V870 HydrophobicContact CG-CG2 4.19Å; R702-D1434 IonicContact CZ-OD2 3.86Å; R702-D1434 VanDerWaalsContact CZ-OD2 3.32Å; R702-D1434 IonicContact NH1-OD2 2.73Å; R702-D1434 PolarHBondContact NH1-OD2 3.03Å; R702-D1434 VanDerWaalsContact NH1-OD2 3.08Å; R702-D1434 VanDerWaalsContact NH2-CG 3.26Å; R702-D1434 IonicContact NH2-OD1 2.71Å; R702-D1434 IonicContact NH2-OD2 3.86Å; R702-D1434 PolarHBondContact NH2-OD2 2.72Å |
| 703 | E | 61.8 | Low | 78.5 | Confident | 71 Ų | 71 | 37.2 Ų | 37.2 | 33% | 0.332 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -76.9 | 124.6 | 176.6 | -71.9 | 124.4 | -153 | 0 | 0 | 109.6 | S699 I700 D705 | S699-E703 VanDerWaalsContact C-CD 3.46Å; S699-E703 WeakPolarHBondContact CB-OE1 3.43Å; S699-E703 VanDerWaalsContact CB-OE2 3.23Å; S699-E703 WeakPolarHBondContact CB-OE2 3.3Å; S699-E703 VanDerWaalsContact O-CD 3.3Å; S699-E703 PolarHBondContact O-N 3.38Å; S699-E703 VanDerWaalsContact O-N 3.07Å; I700-E703 PolarHBondContact N-OE2 3.34Å; E703-D705 PolarHBondContact O-N 3.31Å |
| 704 | D | 55.2 | Low | 79 | Confident | 76 Ų | 76 | 37.5 Ų | 37.5 | 41% | 0.406 | 19% | 0.194 | S | C | . | . | trans | -81.9 | 37.5 | -173.5 | -84 | -16.6 | 0 | 0 | 0 | 112.4 | N706 | D704-N706 PolarHBondContact O-N 3.01Š| ||
| 705 | D | 58.6 | Low | 79.3 | Confident | 63 Ų | 63 | 37.5 Ų | 37.5 | 34% | 0.337 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -68.5 | 29.6 | -178.5 | -47.8 | -26.7 | 0 | 0 | 0 | 114.8 | R509 E703 W707 | R509-D705 PolarHBondContact NH1-O 3.34Å; R509-D705 IonicContact NH2-OD2 2.73Å; E703-D705 PolarHBondContact O-N 3.31Å; D705-W707 VanDerWaalsContact C-N 3.27Å; D705-W707 PolarHBondContact O-N 3.44Å; D705-W707 PolarHBondContact OD2-NE1 3.41Å; D705-W707 VanDerWaalsContact OD2-NE1 3.13Å |
| 706 | N | 70.4 | Confident | 79.8 | Confident | 152 Ų | 152 | 35 Ų | 35 | 81% | 0.813 | 18% | 0.182 | S | C | * | . | trans | 55.3 | 34.3 | -172.3 | -65.2 | -54.6 | 0 | 0 | 0 | 114.4 | D704 | D704-N706 PolarHBondContact O-N 3.01Š| ||
| 707 | W | 80.2 | Confident | 80.1 | Confident | 14 Ų | 14 | 36.2 Ų | 36.2 | 5% | 0.053 | 19% | 0.192 | C | C | . | . | trans | -64.5 | 134.9 | 172.8 | -71 | 108.5 | 0 | 0 | 0 | 112.6 | N499 V500 R509 T513 I700 D705 V711 H712 | N499-W707 HydrophobicContact CB-CH2 4.17Å; N499-W707 WeakPolarHBondContact O-CH2 3.46Å; V500-W707 HydrophobicContact CG2-CH2 4.38Å; V500-W707 HydrophobicContact CG2-CZ2 4.01Å; R509-W707 HydrophobicContact CG-CH2 4.16Å; R509-W707 HydrophobicContact CG-CZ3 4.08Å; R509-W707 VanDerWaalsContact NH2-CZ2 3.25Å; T513-W707 HydrophobicContact CG2-CH2 4.45Å; T513-W707 HydrophobicContact CG2-CZ3 4.17Å; I700-W707 HydrophobicContact CG1-CZ2 4.42Å; I700-W707 HydrophobicContact CG2-CD2 3.86Å; I700-W707 HydrophobicContact CG2-CE3 4.44Å; I700-W707 HydrophobicContact CG2-CG 3.96Å; I700-W707 HydrophobicContact CG2-CZ2 4.38Å; D705-W707 VanDerWaalsContact C-N 3.27Å; D705-W707 PolarHBondContact O-N 3.44Å; D705-W707 PolarHBondContact OD2-NE1 3.41Å; D705-W707 VanDerWaalsContact OD2-NE1 3.13Å; W707-V711 HydrophobicContact CE3-CG2 4.25Å; W707-H712 WeakPolarHBondContact CB-NE2 3.3Å; W707-H712 AromaticContact CD1-NE2 3.95Å; W707-H712 AromaticContact CG-NE2 3.9Å | ||
| 708 | D | 83.1 | Confident | 80.4 | Confident | 87 Ų | 87 | 36.2 Ų | 36.2 | 47% | 0.465 | 19% | 0.192 | S | C | . | . | trans | -63.4 | 141.5 | 175.5 | -71.5 | -58.1 | 0 | 0 | 0 | 112.6 | S510 S710 V711 H712 | S510-D708 WeakPolarHBondContact CB-OD2 3.29Å; S510-D708 PolarHBondContact OG-OD2 3.17Å; D708-S710 VanDerWaalsContact CB-OG 3.26Å; D708-S710 WeakPolarHBondContact CB-OG 3.47Å; D708-S710 PolarHBondContact O-N 3.16Å; D708-V711 HydrophobicContact CB-CG2 4.4Å; D708-V711 WeakPolarHBondContact O-CA 3.47Å; D708-V711 VanDerWaalsContact O-CB 3.29Å; D708-V711 WeakPolarHBondContact O-CB 3.48Å; D708-V711 PolarHBondContact O-N 3.01Å; D708-H712 PolarHBondContact O-N 2.89Å | ||
| 709 | V | 86.6 | Confident | 80.7 | Confident | 36 Ų | 36 | 36 Ų | 36 | 22% | 0.218 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -56.4 | -25 | 173.6 | -176.1 | 0 | 0 | 0 | 0 | 112 | V711 H712 K713 P880 E883 V887 | V709-V711 VanDerWaalsContact C-N 3.3Å; V709-V711 PolarHBondContact O-N 3.35Å; V709-H712 PolarHBondContact O-N 3.03Å; V709-K713 HydrophobicContact CG1-CG 4.46Å; V709-K713 WeakPolarHBondContact O-CB 3.38Å; V709-K713 WeakPolarHBondContact O-CG 3.28Å; V709-K713 PolarHBondContact O-N 2.72Å; V709-P880 HydrophobicContact CG2-CG 3.67Å; V709-E883 HydrophobicContact CG1-CB 3.94Å; V709-E883 HydrophobicContact CG1-CG 4.37Å; V709-V887 HydrophobicContact CG1-CG2 3.89Å |
| 710 | S | 87.8 | Confident | 81.4 | Confident | 44 Ų | 44 | 35.1 Ų | 35.1 | 31% | 0.308 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -61.8 | -34.5 | 173.6 | 69.3 | 0 | 0 | 0 | 0 | 112.4 | R514 D708 A714 | R514-S710 VanDerWaalsContact CD-CB 3.42Å; R514-S710 WeakPolarHBondContact CD-OG 3.45Å; R514-S710 WeakPolarHBondContact CG-O 3.23Å; D708-S710 VanDerWaalsContact CB-OG 3.26Å; D708-S710 WeakPolarHBondContact CB-OG 3.47Å; D708-S710 PolarHBondContact O-N 3.16Å; S710-A714 PolarHBondContact O-N 2.77Å; S710-A714 VanDerWaalsContact O-N 3.12Å |
| 711 | V | 90.4 | Very high | 81.9 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -69.3 | -48.4 | 172.6 | -176.6 | 0 | 0 | 0 | 0 | 110.6 | S510 T513 R514 I700 W707 D708 V709 K713 A714 V715 | S510-V711 WeakPolarHBondContact O-CG2 3.47Å; T513-V711 HydrophobicContact CG2-CG1 3.89Å; R514-V711 HydrophobicContact CB-CG2 4.18Å; I700-V711 HydrophobicContact CG2-CG1 3.87Å; W707-V711 HydrophobicContact CE3-CG2 4.25Å; D708-V711 HydrophobicContact CB-CG2 4.4Å; D708-V711 WeakPolarHBondContact O-CA 3.47Å; D708-V711 VanDerWaalsContact O-CB 3.29Å; D708-V711 WeakPolarHBondContact O-CB 3.48Å; D708-V711 PolarHBondContact O-N 3.01Å; V709-V711 VanDerWaalsContact C-N 3.3Å; V709-V711 PolarHBondContact O-N 3.35Å; V711-K713 VanDerWaalsContact C-N 3.32Å; V711-K713 PolarHBondContact O-N 3.39Å; V711-A714 WeakPolarHBondContact O-CB 3.41Å; V711-A714 PolarHBondContact O-N 3.01Å; V711-V715 PolarHBondContact O-N 3.38Å |
| 712 | H | 89 | Confident | 82.8 | Confident | 32 Ų | 32 | 35.3 Ų | 35.3 | 15% | 0.148 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.4 | -41.4 | 178 | -63.9 | 171.8 | 0 | 0 | 0 | 111.7 | I700 W707 D708 V709 A714 V715 L716 H874 | I700-H712 PolarHBondContact O-NE2 3.37Å; W707-H712 WeakPolarHBondContact CB-NE2 3.3Å; W707-H712 AromaticContact CD1-NE2 3.95Å; W707-H712 AromaticContact CG-NE2 3.9Å; D708-H712 PolarHBondContact O-N 2.89Å; V709-H712 PolarHBondContact O-N 3.03Å; H712-A714 PolarHBondContact O-N 3.03Å; H712-V715 PolarHBondContact O-N 2.9Å; H712-L716 WeakPolarHBondContact O-CB 3.27Å; H712-L716 VanDerWaalsContact O-CG 3.32Å; H712-L716 WeakPolarHBondContact O-CG 3.14Å; H712-L716 PolarHBondContact O-N 3.04Å; H712-H874 AromaticContact CG-CE1 3.96Å; H712-H874 AromaticContact ND1-CE1 3.87Å |
| 713 | K | 90.8 | Very high | 83.9 | Confident | 64 Ų | 64 | 32.3 Ų | 32.3 | 28% | 0.278 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -57.1 | -46 | 170.7 | -77.8 | 172.9 | 172.9 | -176.9 | 0 | 112.1 | V709 V711 L716 A717 E883 S886 V887 L890 | V709-K713 HydrophobicContact CG1-CG 4.46Å; V709-K713 WeakPolarHBondContact O-CB 3.38Å; V709-K713 WeakPolarHBondContact O-CG 3.28Å; V709-K713 PolarHBondContact O-N 2.72Å; V711-K713 VanDerWaalsContact C-N 3.32Å; V711-K713 PolarHBondContact O-N 3.39Å; K713-L716 PolarHBondContact O-N 3.48Å; K713-A717 VanDerWaalsContact O-CB 3.27Å; K713-A717 WeakPolarHBondContact O-CB 3.38Å; K713-A717 PolarHBondContact O-N 3.17Å; K713-E883 WeakPolarHBondContact CE-OE2 3.48Å; K713-E883 IonicContact NZ-OE1 3.33Å; K713-E883 IonicContact NZ-OE2 2.67Å; K713-E883 PolarHBondContact NZ-OE2 3.44Å; K713-S886 WeakPolarHBondContact CE-OG 3.28Å; K713-V887 HydrophobicContact CG-CG2 4.44Å; K713-L890 HydrophobicContact CB-CD1 4.43Å; K713-L890 HydrophobicContact CG-CD1 4.5Å |
| 714 | A | 91.8 | Very high | 84.8 | Confident | 6 Ų | 6 | 29.1 Ų | 29.1 | 5% | 0.05 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -63.5 | -45 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | R514 V517 S710 V711 H712 A717 F718 | R514-A714 HydrophobicContact CG-CB 3.94Å; V517-A714 HydrophobicContact CB-CB 4.14Å; V517-A714 HydrophobicContact CG1-CB 3.87Å; V517-A714 WeakPolarHBondContact CG1-O 3.21Å; S710-A714 PolarHBondContact O-N 2.77Å; S710-A714 VanDerWaalsContact O-N 3.12Å; V711-A714 WeakPolarHBondContact O-CB 3.41Å; V711-A714 PolarHBondContact O-N 3.01Å; H712-A714 PolarHBondContact O-N 3.03Å; A714-A717 PolarHBondContact O-N 3.12Å; A714-F718 WeakPolarHBondContact O-CB 2.97Å; A714-F718 PolarHBondContact O-N 2.89Å |
| 715 | V | 92.1 | Very high | 85.9 | Confident | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -63.2 | -44.8 | 176.3 | 177.6 | 0 | 0 | 0 | 0 | 111.2 | V517 L697 F698 V711 H712 A717 F718 I719 | V517-V715 HydrophobicContact CG1-CG2 4.24Å; V517-V715 HydrophobicContact CG2-CG2 4.34Å; L697-V715 HydrophobicContact CD2-CG2 4.42Å; F698-V715 HydrophobicContact CD1-CG1 4.14Å; F698-V715 HydrophobicContact CE1-CG1 4.32Å; V711-V715 PolarHBondContact O-N 3.38Å; H712-V715 PolarHBondContact O-N 2.9Å; V715-A717 PolarHBondContact O-N 3.43Å; V715-F718 WeakPolarHBondContact O-CB 3.3Å; V715-F718 PolarHBondContact O-N 3.08Å; V715-I719 HydrophobicContact CG1-CD1 4.08Å; V715-I719 VanDerWaalsContact O-CG1 3.3Å; V715-I719 WeakPolarHBondContact O-CG1 3.33Å; V715-I719 PolarHBondContact O-N 3.37Å |
| 716 | L | 92 | Very high | 86.5 | Confident | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -64.5 | -37.8 | 176.6 | -75 | 170.6 | 0 | 0 | 0 | 113 | H712 K713 I719 C720 L871 H874 V887 L890 A891 | H712-L716 WeakPolarHBondContact O-CB 3.27Å; H712-L716 VanDerWaalsContact O-CG 3.32Å; H712-L716 WeakPolarHBondContact O-CG 3.14Å; H712-L716 PolarHBondContact O-N 3.04Å; K713-L716 PolarHBondContact O-N 3.48Å; L716-I719 HydrophobicContact CD2-CD1 4.45Å; L716-I719 PolarHBondContact O-N 3.24Å; L716-C720 PolarHBondContact O-N 3.05Å; L716-C720 PolarHBondContact O-SG 3.09Å; L716-L871 HydrophobicContact CD2-CD2 3.69Å; L716-H874 HydrophobicContact CD1-CB 4.14Å; L716-H874 HydrophobicContact CD2-CB 4.4Å; L716-V887 HydrophobicContact CD1-CG1 3.84Å; L716-L890 HydrophobicContact CB-CB 3.73Å; L716-L890 HydrophobicContact CB-CD1 4.04Å; L716-L890 HydrophobicContact CD1-CB 4.33Å; L716-A891 HydrophobicContact CD2-CB 4.36Å |
| 717 | A | 91.4 | Very high | 86.2 | Confident | 25 Ų | 25 | 16.2 Ų | 16.2 | 21% | 0.207 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -66.7 | -41.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | K713 A714 V715 C720 T721 | K713-A717 VanDerWaalsContact O-CB 3.27Å; K713-A717 WeakPolarHBondContact O-CB 3.38Å; K713-A717 PolarHBondContact O-N 3.17Å; A714-A717 PolarHBondContact O-N 3.12Å; V715-A717 PolarHBondContact O-N 3.43Å; A717-C720 WeakPolarHBondContact O-CB 3.24Å; A717-C720 PolarHBondContact O-N 3.34Å; A717-T721 PolarHBondContact O-N 3.2Å; A717-T721 PolarHBondContact O-OG1 3.29Å |
| 718 | F | 93 | Very high | 85.2 | Confident | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -59.9 | -47.3 | 172.4 | 171.5 | -120 | 0 | 0 | 0 | 111.7 | V517 F520 N521 S524 I533 V534 L694 L697 A714 V715 C720 T721 L722 | V517-F718 HydrophobicContact CG1-CB 3.97Å; V517-F718 HydrophobicContact CG1-CG 4.42Å; F520-F718 HydrophobicContact CB-CD2 4.28Å; F520-F718 HydrophobicContact CB-CE2 3.92Å; F520-F718 HydrophobicContact CB-CZ 4.38Å; N521-F718 HydrophobicContact CB-CB 4.37Å; N521-F718 HydrophobicContact CB-CD2 4.4Å; S524-F718 WeakPolarHBondContact OG-CE2 3.42Å; I533-F718 HydrophobicContact CG2-CE2 4.41Å; I533-F718 HydrophobicContact CG2-CZ 3.97Å; V534-F718 HydrophobicContact CG2-CZ 4.5Å; L694-F718 HydrophobicContact CD1-CD1 4.42Å; L694-F718 HydrophobicContact CD1-CE1 3.61Å; L694-F718 HydrophobicContact CD1-CZ 4.4Å; L697-F718 HydrophobicContact CD1-CD1 4.34Å; L697-F718 HydrophobicContact CD1-CE1 3.82Å; A714-F718 WeakPolarHBondContact O-CB 2.97Å; A714-F718 PolarHBondContact O-N 2.89Å; V715-F718 WeakPolarHBondContact O-CB 3.3Å; V715-F718 PolarHBondContact O-N 3.08Å; F718-C720 VanDerWaalsContact C-N 3.33Å; F718-C720 PolarHBondContact O-N 3.22Å; F718-T721 WeakPolarHBondContact O-CB 3.48Å; F718-T721 PolarHBondContact O-N 3.49Å; F718-T721 VanDerWaalsContact O-N 3.12Å; F718-L722 HydrophobicContact CD1-CD1 4.42Å; F718-L722 HydrophobicContact CE1-CD1 4.04Å; F718-L722 HydrophobicContact CE2-CD1 4.22Å; F718-L722 HydrophobicContact CE2-CD2 4.33Å; F718-L722 HydrophobicContact CE2-CG 4.35Å; F718-L722 HydrophobicContact CZ-CD1 3.93Å; F718-L722 WeakPolarHBondContact O-CG 3.36Å; F718-L722 PolarHBondContact O-N 2.82Å |
| 719 | I | 91.4 | Very high | 83.8 | Confident | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -55.8 | -47.9 | 173.2 | -66.8 | 164.2 | 0 | 0 | 0 | 110.6 | F698 V715 L716 T721 L722 V723 V862 L871 | F698-I719 HydrophobicContact CD1-CD1 4.15Å; F698-I719 HydrophobicContact CE1-CD1 3.47Å; F698-I719 VanDerWaalsContact CE1-CD1 3.47Å; F698-I719 HydrophobicContact CE1-CG1 3.48Å; F698-I719 VanDerWaalsContact CE1-CG1 3.48Å; F698-I719 HydrophobicContact CZ-CD1 3.84Å; F698-I719 HydrophobicContact CZ-CG1 3.7Å; V715-I719 HydrophobicContact CG1-CD1 4.08Å; V715-I719 VanDerWaalsContact O-CG1 3.3Å; V715-I719 WeakPolarHBondContact O-CG1 3.33Å; V715-I719 PolarHBondContact O-N 3.37Å; L716-I719 HydrophobicContact CD2-CD1 4.45Å; L716-I719 PolarHBondContact O-N 3.24Å; I719-T721 VanDerWaalsContact C-N 3.3Å; I719-T721 PolarHBondContact O-N 3.2Å; I719-L722 WeakPolarHBondContact O-CB 3.43Å; I719-L722 PolarHBondContact O-N 3.01Å; I719-V723 HydrophobicContact CG2-CG1 4.39Å; I719-V723 HydrophobicContact CG2-CG2 4.49Å; I719-V723 WeakPolarHBondContact O-CG2 3.33Å; I719-V723 PolarHBondContact O-N 3.46Å; I719-V862 HydrophobicContact CG2-CG1 4.48Å; I719-L871 HydrophobicContact CD1-CD2 4.5Å; I719-L871 HydrophobicContact CG2-CD1 4.04Å; I719-L871 HydrophobicContact CG2-CD2 4.12Å; I719-L871 HydrophobicContact CG2-CG 4.4Å |
| 720 | C | 90.3 | Very high | 82.3 | Confident | 4 Ų | 4 | 26.9 Ų | 26.9 | 3% | 0.027 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -55.5 | -44.2 | 176.6 | -72.3 | 0 | 0 | 0 | 0 | 112.1 | L716 A717 F718 L722 V723 Y724 L890 R893 | L716-C720 PolarHBondContact O-N 3.05Å; L716-C720 PolarHBondContact O-SG 3.09Å; A717-C720 WeakPolarHBondContact O-CB 3.24Å; A717-C720 PolarHBondContact O-N 3.34Å; F718-C720 VanDerWaalsContact C-N 3.33Å; F718-C720 PolarHBondContact O-N 3.22Å; C720-L722 VanDerWaalsContact C-N 3.3Å; C720-L722 PolarHBondContact O-N 2.82Å; C720-V723 PolarHBondContact O-N 2.73Å; C720-Y724 WeakPolarHBondContact O-CB 3.46Å; C720-Y724 PolarHBondContact O-N 3.08Å; C720-L890 PolarHBondContact SG-O 2.78Å; C720-R893 HydrophobicContact CB-CG 4.36Å |
| 721 | T | 89 | Confident | 80.8 | Confident | 5 Ų | 5 | 26.2 Ų | 26.2 | 3% | 0.031 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -63 | -32.1 | 176.5 | -67.1 | 0 | 0 | 0 | 0 | 112.9 | I468 N521 A717 F718 I719 R725 | I468-T721 HydrophobicContact CD1-CG2 4.01Å; I468-T721 VanDerWaalsContact CD1-OG1 3.25Å; I468-T721 WeakPolarHBondContact CD1-OG1 3.32Å; I468-T721 HydrophobicContact CG1-CG2 4.35Å; N521-T721 WeakPolarHBondContact OD1-CB 3.13Å; N521-T721 WeakPolarHBondContact OD1-CG2 3.45Å; N521-T721 PolarHBondContact OD1-OG1 3.44Å; A717-T721 PolarHBondContact O-N 3.2Å; A717-T721 PolarHBondContact O-OG1 3.29Å; F718-T721 WeakPolarHBondContact O-CB 3.48Å; F718-T721 PolarHBondContact O-N 3.49Å; F718-T721 VanDerWaalsContact O-N 3.12Å; I719-T721 VanDerWaalsContact C-N 3.3Å; I719-T721 PolarHBondContact O-N 3.2Å; T721-R725 VanDerWaalsContact CG2-NH2 3.34Å; T721-R725 VanDerWaalsContact O-CZ 3.26Å; T721-R725 PolarHBondContact O-NE 3.04Å; T721-R725 PolarHBondContact O-NH2 3.4Å |
| 722 | L | 89.3 | Confident | 79.2 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -73.8 | -41.6 | 174.6 | -62.9 | 173.9 | 0 | 0 | 0 | 112.6 | A530 V534 L694 F718 I719 C720 Q855 V862 | A530-L722 HydrophobicContact CB-CD2 3.88Å; V534-L722 HydrophobicContact CG2-CD1 3.51Å; V534-L722 HydrophobicContact CG2-CD2 3.67Å; V534-L722 HydrophobicContact CG2-CG 4.23Å; L694-L722 HydrophobicContact CD1-CD1 4.38Å; F718-L722 HydrophobicContact CD1-CD1 4.42Å; F718-L722 HydrophobicContact CE1-CD1 4.04Å; F718-L722 HydrophobicContact CE2-CD1 4.22Å; F718-L722 HydrophobicContact CE2-CD2 4.33Å; F718-L722 HydrophobicContact CE2-CG 4.35Å; F718-L722 HydrophobicContact CZ-CD1 3.93Å; F718-L722 WeakPolarHBondContact O-CG 3.36Å; F718-L722 PolarHBondContact O-N 2.82Å; I719-L722 WeakPolarHBondContact O-CB 3.43Å; I719-L722 PolarHBondContact O-N 3.01Å; C720-L722 VanDerWaalsContact C-N 3.3Å; C720-L722 PolarHBondContact O-N 2.82Å; L722-Q855 PolarHBondContact O-NE2 3.17Å; L722-V862 HydrophobicContact CB-CG2 4.38Å; L722-V862 HydrophobicContact CD1-CG2 4.12Å |
| 723 | V | 86.9 | Confident | 77.7 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -98.8 | -20.5 | -166.9 | -53.4 | 0 | 0 | 0 | 0 | 115.5 | I719 C720 R725 W859 V862 G894 L898 | I719-V723 HydrophobicContact CG2-CG1 4.39Å; I719-V723 HydrophobicContact CG2-CG2 4.49Å; I719-V723 WeakPolarHBondContact O-CG2 3.33Å; I719-V723 PolarHBondContact O-N 3.46Å; C720-V723 PolarHBondContact O-N 2.73Å; V723-R725 PolarHBondContact O-N 3.42Å; V723-W859 PolarHBondContact O-NE1 3.26Å; V723-V862 HydrophobicContact CG1-CB 4.38Å; V723-V862 HydrophobicContact CG1-CG1 4.18Å; V723-V862 HydrophobicContact CG1-CG2 4.1Å; V723-G894 WeakPolarHBondContact CG2-O 3.36Å; V723-L898 HydrophobicContact CB-CD2 4.14Å; V723-L898 HydrophobicContact CB-CG 4.16Å; V723-L898 HydrophobicContact CG1-CD2 3.61Å; V723-L898 HydrophobicContact CG1-CG 3.91Å; V723-L898 HydrophobicContact CG2-CG 4.43Å |
| 724 | Y | 81.8 | Confident | 76 | Confident | 4 Ų | 4 | 28.1 Ų | 28.1 | 2% | 0.016 | 14% | 0.143 | C | C | . | . | trans | -99.1 | 36.4 | -166.8 | -154.6 | -95.1 | 0 | 0 | 0 | 115 | C720 P733 D734 R893 V896 Y941 M944 | C720-Y724 WeakPolarHBondContact O-CB 3.46Å; C720-Y724 PolarHBondContact O-N 3.08Å; Y724-P733 HydrophobicContact CD1-CB 3.9Å; Y724-P733 HydrophobicContact CD1-CG 3.96Å; Y724-P733 HydrophobicContact CE1-CB 3.59Å; Y724-P733 HydrophobicContact CE1-CG 3.55Å; Y724-D734 PolarHBondContact OH-OD1 3.33Å; Y724-R893 HydrophobicContact CD2-CG 3.96Å; Y724-R893 WeakPolarHBondContact CD2-O 3.28Å; Y724-R893 HydrophobicContact CE2-CG 4.15Å; Y724-R893 HydrophobicContact CG-CG 4.36Å; Y724-V896 HydrophobicContact CE2-CB 4.06Å; Y724-V896 HydrophobicContact CE2-CG1 3.63Å; Y724-Y941 HydrophobicContact CE2-CE1 4.1Å; Y724-Y941 AromaticContact CZ-CE1 3.91Å; Y724-M944 WeakPolarHBondContact OH-CE 3.31Å | ||
| 725 | R | 79 | Confident | 74.1 | Confident | 1 Ų | 1 | 33.2 Ų | 33.2 | 0% | 0.004 | 17% | 0.166 | C | C | . | . | trans | -96.1 | 150.9 | -171.5 | -46.4 | -164.5 | 166.8 | -137.9 | -17.7 | 114.5 | I468 S524 I525 Y527 T721 V723 V727 R900 | I468-R725 HydrophobicContact CG2-CG 4.15Å; S524-R725 VanDerWaalsContact O-CZ 3.31Å; S524-R725 PolarHBondContact O-NH1 2.74Å; S524-R725 PolarHBondContact O-NH2 3.24Å; I525-R725 PolarHBondContact O-NH1 2.73Å; I525-R725 VanDerWaalsContact O-NH1 3.08Å; Y527-R725 WeakPolarHBondContact OH-CB 3.38Å; Y527-R725 WeakPolarHBondContact OH-CD 3.46Å; T721-R725 VanDerWaalsContact CG2-NH2 3.34Å; T721-R725 VanDerWaalsContact O-CZ 3.26Å; T721-R725 PolarHBondContact O-NE 3.04Å; T721-R725 PolarHBondContact O-NH2 3.4Å; V723-R725 PolarHBondContact O-N 3.42Å; R725-V727 PolarHBondContact O-N 2.91Å; R725-R900 PolarHBondContact O-NH1 2.68Å; R725-R900 PolarHBondContact O-NH2 3.43Å | ||
| 726 | P | 69.6 | Low | 72 | Confident | 17 Ų | 17 | 36.2 Ų | 36.2 | 11% | 0.11 | 19% | 0.185 | C | C | . | . | trans | -63.1 | 134.9 | 175.1 | 28 | -35.9 | 0 | 0 | 0 | 110.8 | I468 | I468-P726 WeakPolarHBondContact O-CD 3.46Š| ||
| 727 | V | 64.4 | Low | 69.9 | Low | 2 Ų | 2 | 37.9 Ų | 37.9 | 1% | 0.012 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -102.3 | -17.4 | -175.2 | 168.1 | 0 | 0 | 0 | 0 | 111.9 | R725 L852 Q855 W859 | R725-V727 PolarHBondContact O-N 2.91Å; V727-L852 HydrophobicContact CG1-CD2 3.29Å; V727-L852 HydrophobicContact CG1-CG 3.64Å; V727-Q855 HydrophobicContact CG2-CB 4.33Å; V727-Q855 HydrophobicContact CG2-CG 4.07Å; V727-W859 HydrophobicContact CG2-CH2 4.08Å; V727-W859 HydrophobicContact CG2-CZ2 4.23Å |
| 728 | V | 60.4 | Low | 67.4 | Low | 46 Ų | 46 | 40.4 Ų | 40.4 | 28% | 0.279 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -136 | 144.8 | 174.7 | -171.5 | 0 | 0 | 0 | 0 | 108 | H730 E731 L742 | V728-H730 PolarHBondContact O-N 3.19Å; V728-E731 HydrophobicContact CB-CB 3.99Å; V728-E731 PolarHBondContact O-N 3.35Å; V728-L742 HydrophobicContact CG2-CD1 4.41Å |
| 729 | E | 53.1 | Low | 64.7 | Low | 142 Ų | 142 | 43.9 Ų | 43.9 | 66% | 0.664 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57 | -9.3 | -174.9 | -60.7 | -179.2 | 170.2 | 0 | 0 | 115.6 | ||
| 730 | H | 53.9 | Low | 62.1 | Low | 173 Ų | 173 | 49.6 Ų | 49.6 | 80% | 0.801 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -130.4 | 11.4 | 179.4 | -56.8 | -21.4 | 0 | 0 | 0 | 113.1 | V728 | V728-H730 PolarHBondContact O-N 3.19Š|
| 731 | E | 58 | Low | 59.4 | Low | 29 Ų | 29 | 51.6 Ų | 51.6 | 14% | 0.136 | 29% | 0.287 | C | S | . | . | trans | -99.4 | 109.6 | 176.5 | -178.4 | 178.2 | -86.9 | 0 | 0 | 110.2 | V728 Q735 I737 R900 | V728-E731 HydrophobicContact CB-CB 3.99Å; V728-E731 PolarHBondContact O-N 3.35Å; E731-Q735 HydrophobicContact CG-CB 4.5Å; E731-I737 WeakPolarHBondContact OE1-CG1 3.37Å; E731-R900 IonicContact OE2-CZ 3.11Å; E731-R900 IonicContact OE2-NH2 3.07Å; E731-R900 PolarHBondContact OE2-NH2 2.8Å | ||
| 732 | H | 56.5 | Low | 57 | Low | 87 Ų | 87 | 55.1 Ų | 55.1 | 40% | 0.403 | 31% | 0.305 | S | S | . | . | trans | -65 | 133.2 | 164.9 | -168.7 | -82.8 | 0 | 0 | 0 | 108.6 | D734 Q735 | H732-D734 VanDerWaalsContact CE1-CG 3.47Å; H732-D734 IonicContact CE1-OD1 3.44Å; H732-D734 PolarHBondContact CE1-OD1 2.91Å; H732-D734 VanDerWaalsContact CE1-OD1 3.26Å; H732-D734 IonicContact CE1-OD2 3.57Å; H732-D734 WeakPolarHBondContact ND1-CB 3.37Å; H732-D734 PolarHBondContact ND1-N 3.34Å; H732-D734 IonicContact ND1-OD1 3.89Å; H732-D734 PolarHBondContact ND1-OD1 3.49Å; H732-D734 PolarHBondContact O-N 2.85Å; H732-D734 VanDerWaalsContact O-N 3.07Å; H732-Q735 HydrophobicContact CB-CG 4.3Å; H732-Q735 WeakPolarHBondContact O-CB 3.49Å; H732-Q735 PolarHBondContact O-N 3.21Å | ||
| 733 | P | 57.3 | Low | 54.4 | Low | 2 Ų | 2 | 60.1 Ų | 60.1 | 1% | 0.013 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -28 | -171.5 | 21.9 | -33.9 | 0 | 0 | 0 | 113.9 | Y724 Q735 | Y724-P733 HydrophobicContact CD1-CB 3.9Å; Y724-P733 HydrophobicContact CD1-CG 3.96Å; Y724-P733 HydrophobicContact CE1-CB 3.59Å; Y724-P733 HydrophobicContact CE1-CG 3.55Å; P733-Q735 PolarHBondContact O-N 3.35Å |
| 734 | D | 54.8 | Low | 51.8 | Low | 48 Ų | 48 | 63.3 Ų | 63.3 | 26% | 0.257 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -9.9 | 174.3 | -57.5 | 35.1 | 0 | 0 | 0 | 114.4 | Y724 H732 R940 M944 | Y724-D734 PolarHBondContact OH-OD1 3.33Å; H732-D734 VanDerWaalsContact CE1-CG 3.47Å; H732-D734 IonicContact CE1-OD1 3.44Å; H732-D734 PolarHBondContact CE1-OD1 2.91Å; H732-D734 VanDerWaalsContact CE1-OD1 3.26Å; H732-D734 IonicContact CE1-OD2 3.57Å; H732-D734 WeakPolarHBondContact ND1-CB 3.37Å; H732-D734 PolarHBondContact ND1-N 3.34Å; H732-D734 IonicContact ND1-OD1 3.89Å; H732-D734 PolarHBondContact ND1-OD1 3.49Å; H732-D734 PolarHBondContact O-N 2.85Å; H732-D734 VanDerWaalsContact O-N 3.07Å; D734-R940 IonicContact OD2-CZ 3.11Å; D734-R940 IonicContact OD2-NH1 2.79Å; D734-R940 PolarHBondContact OD2-NH1 3.44Å; D734-M944 HydrophobicContact CB-CE 3.51Å; D734-M944 HydrophobicContact CB-SD 4.33Å; D734-M944 VanDerWaalsContact CG-CE 3.49Å |
| 735 | Q | 52.4 | Low | 49.5 | Very low | 113 Ų | 113 | 68.3 Ų | 68.3 | 53% | 0.528 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -84.4 | 133.8 | 177.5 | -68.4 | -173.3 | 25.2 | 0 | 0 | 111.7 | E731 H732 P733 I737 | E731-Q735 HydrophobicContact CG-CB 4.5Å; H732-Q735 HydrophobicContact CB-CG 4.3Å; H732-Q735 WeakPolarHBondContact O-CB 3.49Å; H732-Q735 PolarHBondContact O-N 3.21Å; P733-Q735 PolarHBondContact O-N 3.35Å; Q735-I737 PolarHBondContact O-N 2.84Å |
| 736 | P | 47 | Very low | 47.3 | Very low | 62 Ų | 62 | 75.4 Ų | 75.4 | 40% | 0.403 | 41% | 0.412 | S | S | . | . | trans | -71.8 | 115.4 | 178.3 | 28.3 | -33.8 | 0 | 0 | 0 | 111.5 | S738 L948 | P736-S738 PolarHBondContact O-N 3.43Å; P736-L948 HydrophobicContact CB-CD2 3.87Å | ||
| 737 | I | 48.3 | Very low | 45.3 | Very low | 36 Ų | 36 | 80.2 Ų | 80.2 | 19% | 0.185 | 44% | 0.441 | C | S | . | . | trans | -52.5 | 114 | 172.7 | -58.8 | 167.9 | 0 | 0 | 0 | 108.6 | E731 Q735 V739 R900 | E731-I737 WeakPolarHBondContact OE1-CG1 3.37Å; Q735-I737 PolarHBondContact O-N 2.84Å; I737-V739 PolarHBondContact O-N 3.04Å; I737-R900 HydrophobicContact CD1-CB 3.75Å; I737-R900 HydrophobicContact CD1-CG 4.01Å | ||
| 738 | S | 40.2 | Very low | 43.6 | Very low | 78 Ų | 78 | 85 Ų | 85 | 55% | 0.545 | 48% | 0.475 | S | S | . | . | trans | -75.1 | 97.6 | 179.6 | -63 | 0 | 0 | 0 | 0 | 110.1 | P736 T740 G741 | P736-S738 PolarHBondContact O-N 3.43Å; S738-T740 PolarHBondContact O-N 3.27Å; S738-G741 PolarHBondContact O-N 3.07Å | ||
| 739 | V | 36.1 | Very low | 42.1 | Very low | 72 Ų | 72 | 87.5 Ų | 87.5 | 44% | 0.436 | 50% | 0.501 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -44.7 | -33.3 | -171.2 | -178.7 | 0 | 0 | 0 | 0 | 114.4 | I737 G741 | I737-V739 PolarHBondContact O-N 3.04Å; V739-G741 PolarHBondContact O-N 2.7Å |
| 740 | T | 36.1 | Very low | 41.1 | Very low | 121 Ų | 121 | 86.6 Ų | 86.6 | 74% | 0.742 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | -12.9 | -178.6 | -11.9 | 0 | 0 | 0 | 0 | 115.5 | S738 S744 | S738-T740 PolarHBondContact O-N 3.27Å; T740-S744 WeakPolarHBondContact O-CB 3.46Å; T740-S744 PolarHBondContact O-OG 3.23Å |
| 741 | G | 33.8 | Very low | 39.9 | Very low | 45 Ų | 45 | 86.5 Ų | 86.5 | 46% | 0.464 | 51% | 0.512 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | -33.8 | -165.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | S738 V739 | S738-G741 PolarHBondContact O-N 3.07Å; V739-G741 PolarHBondContact O-N 2.7Å |
| 742 | L | 38.9 | Very low | 38.7 | Very low | 80 Ų | 80 | 90.4 Ų | 90.4 | 42% | 0.419 | 54% | 0.543 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | -33.1 | -173.8 | -73.8 | 167.5 | 0 | 0 | 0 | 113.3 | V728 | V728-L742 HydrophobicContact CG2-CD1 4.41Š|
| 743 | L | 34.9 | Very low | 37.5 | Very low | 104 Ų | 104 | 93.8 Ų | 93.8 | 55% | 0.545 | 56% | 0.564 | S | S | . | * | G | 310 helix | trans | -87.6 | -20 | -177.3 | -66.6 | 174 | 0 | 0 | 0 | 114.2 | N745 F746 | L743-N745 PolarHBondContact O-N 3.26Å; L743-N745 VanDerWaalsContact O-N 3.07Å; L743-F746 PolarHBondContact O-N 3.37Å |
| 744 | S | 32.4 | Very low | 36.2 | Very low | 68 Ų | 68 | 102.9 Ų | 102.9 | 48% | 0.476 | 61% | 0.609 | S | S | . | * | G | 310 helix | trans | -64.6 | -12.4 | 178.1 | 52.1 | 0 | 0 | 0 | 0 | 114.6 | T740 | T740-S744 WeakPolarHBondContact O-CB 3.46Å; T740-S744 PolarHBondContact O-OG 3.23Å |
| 745 | N | 31.7 | Very low | 35.1 | Very low | 109 Ų | 109 | 104.2 Ų | 104.2 | 58% | 0.583 | 63% | 0.633 | S | S | * | * | G | 310 helix | trans | -89 | -2.6 | 171.9 | -68.8 | -65.7 | 0 | 0 | 0 | 114 | L743 | L743-N745 PolarHBondContact O-N 3.26Å; L743-N745 VanDerWaalsContact O-N 3.07Å |
| 746 | F | 32.8 | Very low | 34.1 | Very low | 150 Ų | 150 | 105.5 Ų | 105.5 | 66% | 0.658 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -107.1 | -5.9 | -177.9 | -75.2 | -84.1 | 0 | 0 | 0 | 114.2 | L743 T849 | L743-F746 PolarHBondContact O-N 3.37Å; F746-T849 HydrophobicContact CZ-CG2 4.38Å |
| 747 | T | 27.6 | Very low | 33.6 | Very low | 118 Ų | 118 | 111.3 Ų | 111.3 | 72% | 0.724 | 67% | 0.665 | S | S | * | * | trans | -128.9 | 65.3 | -172.2 | 58.3 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 748 | S | 29 | Very low | 33 | Very low | 102 Ų | 102 | 114 Ų | 114 | 71% | 0.713 | 69% | 0.692 | S | S | * | * | trans | -138.7 | 60.1 | -179.1 | 71.1 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 749 | A | 29.8 | Very low | 33.1 | Very low | 99 Ų | 99 | 116.2 Ų | 116.2 | 82% | 0.818 | 71% | 0.705 | S | S | * | * | trans | 66.7 | 169.9 | 150.7 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 750 | P | 32.6 | Very low | 33.2 | Very low | 123 Ų | 123 | 118 Ų | 118 | 80% | 0.799 | 72% | 0.721 | S | S | * | * | cis | -122 | 165.5 | -7.5 | 36.9 | -21.3 | 0 | 0 | 0 | 115.5 | ||||
| 751 | N | 26.8 | Very low | 33.2 | Very low | 170 Ų | 170 | 117.6 Ų | 117.6 | 91% | 0.909 | 72% | 0.723 | S | S | * | * | trans | -75.8 | 151.6 | 168.2 | -68.9 | -32.4 | 0 | 0 | 0 | 112.2 | ||||
| 752 | S | 33.9 | Very low | 33.7 | Very low | 111 Ų | 111 | 121.1 Ų | 121.1 | 78% | 0.776 | 74% | 0.738 | S | S | * | * | trans | -152 | 114.9 | 158 | 62.3 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 753 | N | 32.2 | Very low | 33.6 | Very low | 158 Ų | 158 | 122.8 Ų | 122.8 | 85% | 0.845 | 75% | 0.753 | S | S | * | * | trans | 48.8 | 106.4 | 155.2 | -63.8 | -1.2 | 0 | 0 | 0 | 121.9 | ||||
| 754 | M | 30.1 | Very low | 33.9 | Very low | 194 Ų | 194 | 123.4 Ų | 123.4 | 96% | 0.956 | 76% | 0.764 | S | S | * | * | 18.3 | 128.2 | 112.5 | -68.2 | -72.9 | -171.2 | 0 | 0 | 118.8 | |||||
| 755 | G | 31 | Very low | 34.5 | Very low | 75 Ų | 75 | 125.4 Ų | 125.4 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | trans | 171 | 107 | 161.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 756 | N | 32 | Very low | 34.8 | Very low | 140 Ų | 140 | 132 Ų | 132 | 75% | 0.749 | 79% | 0.792 | S | S | * | * | trans | -61.2 | 140.4 | -179 | -56.6 | -17.7 | 0 | 0 | 0 | 114.1 | ||||
| 757 | H | 36.4 | Very low | 34.9 | Very low | 184 Ų | 184 | 131.9 Ų | 131.9 | 85% | 0.852 | 80% | 0.798 | S | S | * | * | 168.1 | 168 | 106.5 | -89.2 | -68 | 0 | 0 | 0 | 112.1 | |||||
| 758 | A | 34.6 | Very low | 35.2 | Very low | 92 Ų | 92 | 130.9 Ų | 130.9 | 76% | 0.76 | 80% | 0.796 | S | S | * | * | trans | -121.5 | -168.7 | -167.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 759 | P | 42.4 | Very low | 35.5 | Very low | 126 Ų | 126 | 131.8 Ų | 131.8 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | -130.9 | 166 | -107.6 | 37.1 | -18 | 0 | 0 | 0 | 116.6 | |||||
| 760 | S | 37.9 | Very low | 35.6 | Very low | 108 Ų | 108 | 133.7 Ų | 133.7 | 76% | 0.755 | 79% | 0.794 | S | S | * | * | trans | -162 | 110.4 | 166.8 | 61.6 | 0 | 0 | 0 | 0 | 117 | ||||
| 761 | S | 36.7 | Very low | 35.7 | Very low | 113 Ų | 113 | 133 Ų | 133 | 79% | 0.79 | 79% | 0.787 | S | S | * | * | trans | 56.2 | 147.3 | 141.7 | 51.7 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 762 | P | 43.2 | Very low | 36 | Very low | 119 Ų | 119 | 131.3 Ų | 131.3 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | trans | -102.8 | -159.4 | 179.7 | 45.3 | -38.6 | 0 | 0 | 0 | 112.9 | ||||
| 763 | P | 38.2 | Very low | 36.6 | Very low | 115 Ų | 115 | 132 Ų | 132 | 75% | 0.747 | 79% | 0.785 | S | S | * | * | cis | -138.6 | -140.8 | 8.7 | 47.1 | -22.9 | 0 | 0 | 0 | 115.7 | ||||
| 764 | P | 39.7 | Very low | 36.8 | Very low | 118 Ų | 118 | 130.5 Ų | 130.5 | 77% | 0.766 | 79% | 0.787 | S | S | * | * | -127.1 | -134.3 | -127.7 | 34.7 | -5.7 | 0 | 0 | 0 | 117.5 | |||||
| 765 | P | 46.9 | Very low | 37 | Very low | 110 Ų | 110 | 125.9 Ų | 125.9 | 71% | 0.714 | 77% | 0.774 | S | S | * | * | -124.1 | -179.9 | -112.4 | 41.1 | -22.7 | 0 | 0 | 0 | 117.9 | |||||
| 766 | R | 36.2 | Very low | 37.2 | Very low | 246 Ų | 246 | 129.9 Ų | 129.9 | 93% | 0.928 | 78% | 0.778 | S | S | * | * | trans | -165.3 | 171.8 | 167 | -107.2 | 161.9 | -165.4 | -158.4 | 3.2 | 114.4 | ||||
| 767 | N | 35.4 | Very low | 37.2 | Very low | 149 Ų | 149 | 127.7 Ų | 127.7 | 80% | 0.797 | 77% | 0.773 | S | S | * | * | trans | -120.4 | -164.2 | -161.4 | -46.7 | -10.3 | 0 | 0 | 0 | 113.1 | ||||
| 768 | S | 34.3 | Very low | 37 | Very low | 97 Ų | 97 | 127 Ų | 127 | 68% | 0.678 | 77% | 0.768 | S | S | * | * | cis | -175 | 162.7 | 13.4 | 20.8 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 769 | T | 34.3 | Very low | 36.9 | Very low | 120 Ų | 120 | 131.1 Ų | 131.1 | 74% | 0.736 | 77% | 0.769 | S | S | * | * | trans | 78.8 | 146.8 | 142.8 | 48.2 | 0 | 0 | 0 | 0 | 126.5 | ||||
| 770 | N | 33.9 | Very low | 36.5 | Very low | 139 Ų | 139 | 131.3 Ų | 131.3 | 74% | 0.743 | 77% | 0.768 | S | S | * | * | trans | 82.4 | 147 | 150.1 | -67.6 | -6.9 | 0 | 0 | 0 | 121.3 | ||||
| 771 | T | 34.7 | Very low | 36.4 | Very low | 109 Ų | 109 | 132.4 Ų | 132.4 | 67% | 0.669 | 77% | 0.773 | S | S | * | * | cis | -166.1 | 135.8 | -7.6 | 18.9 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 772 | T | 32.7 | Very low | 36.1 | Very low | 134 Ų | 134 | 135.1 Ų | 135.1 | 82% | 0.822 | 77% | 0.773 | S | S | * | * | trans | 62.5 | 158.3 | 143.5 | 52.5 | 0 | 0 | 0 | 0 | 125.6 | ||||
| 773 | P | 46.5 | Very low | 35.4 | Very low | 125 Ų | 125 | 139.8 Ų | 139.8 | 81% | 0.812 | 78% | 0.775 | S | S | * | * | trans | -131.3 | -169 | -161.2 | 45.4 | -28 | 0 | 0 | 0 | 116.9 | ||||
| 774 | S | 35.9 | Very low | 35 | Very low | 127 Ų | 127 | 141.2 Ų | 141.2 | 89% | 0.888 | 78% | 0.782 | S | S | * | * | trans | -150.2 | 179.6 | 162.6 | 70.5 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 775 | S | 33.8 | Very low | 34.4 | Very low | 97 Ų | 97 | 143.8 Ų | 143.8 | 68% | 0.678 | 79% | 0.789 | S | S | * | * | trans | -125.3 | 164 | -156.7 | 61.1 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 776 | N | 35.2 | Very low | 33.5 | Very low | 160 Ų | 160 | 142.4 Ų | 142.4 | 86% | 0.856 | 79% | 0.794 | S | S | * | * | 179.3 | 173.9 | 121.9 | -87.8 | -13.4 | 0 | 0 | 0 | 114.3 | |||||
| 777 | S | 32.1 | Very low | 33.2 | Very low | 94 Ų | 94 | 135 Ų | 135 | 66% | 0.657 | 79% | 0.786 | S | S | * | * | trans | -133.4 | 166.1 | -167.3 | 61 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 778 | F | 32 | Very low | 32.8 | Very low | 170 Ų | 170 | 140 Ų | 140 | 75% | 0.746 | 79% | 0.794 | S | S | * | * | 173.1 | 145.9 | 127 | -103.6 | -62.6 | 0 | 0 | 0 | 117.1 | |||||
| 779 | K | 32.8 | Very low | 32.8 | Very low | 177 Ų | 177 | 139.2 Ų | 139.2 | 77% | 0.77 | 80% | 0.801 | S | S | * | * | trans | 68.6 | 123.7 | 145.3 | -84 | 146.5 | -172.9 | 162.3 | 0 | 123.3 | ||||
| 780 | T | 34 | Very low | 32.7 | Very low | 131 Ų | 131 | 138.4 Ų | 138.4 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | trans | -88.6 | 171.3 | 155.4 | 50.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 781 | P | 35.8 | Very low | 32.8 | Very low | 131 Ų | 131 | 138.2 Ų | 138.2 | 85% | 0.851 | 80% | 0.804 | S | S | * | * | -142.9 | -169.4 | 115.1 | 38.5 | -23.6 | 0 | 0 | 0 | 115.7 | |||||
| 782 | Q | 30.6 | Very low | 32.7 | Very low | 169 Ų | 169 | 138.6 Ų | 138.6 | 79% | 0.79 | 80% | 0.802 | S | S | * | * | trans | -98.2 | 164.1 | -154.2 | -57.4 | 174.7 | -33.5 | 0 | 0 | 118 | ||||
| 783 | R | 27.7 | Very low | 32.8 | Very low | 217 Ų | 217 | 143.6 Ų | 143.6 | 82% | 0.819 | 81% | 0.805 | S | S | * | * | trans | 44.6 | 128.5 | 139.1 | -75.9 | 177.3 | 164 | -172.4 | -4.8 | 121.1 | ||||
| 784 | T | 30.7 | Very low | 32.2 | Very low | 146 Ų | 146 | 146 Ų | 146 | 90% | 0.896 | 80% | 0.803 | S | S | * | * | -172.9 | 174.5 | 108.9 | 20.7 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 785 | N | 27.4 | Very low | 32.2 | Very low | 172 Ų | 172 | 150.3 Ų | 150.3 | 92% | 0.92 | 80% | 0.8 | S | S | * | * | trans | -85.1 | 154.5 | -171.8 | -55 | -30.5 | 0 | 0 | 0 | 113.6 | ||||
| 786 | G | 28.2 | Very low | 32.1 | Very low | 80 Ų | 80 | 151.8 Ų | 151.8 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | trans | -179.6 | 95.8 | 170.3 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 787 | A | 28.7 | Very low | 32.2 | Very low | 92 Ų | 92 | 152.9 Ų | 152.9 | 76% | 0.76 | 78% | 0.784 | S | S | * | * | trans | -19.9 | 140.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 788 | R | 28.4 | Very low | 32.4 | Very low | 254 Ų | 254 | 153.4 Ų | 153.4 | 96% | 0.958 | 78% | 0.78 | S | S | * | * | trans | 54.2 | 127.1 | 132.1 | -68.4 | -179.4 | 169.5 | 177.2 | -3.2 | 122.6 | ||||
| 789 | G | 33.1 | Very low | 32.6 | Very low | 80 Ų | 80 | 151.3 Ų | 151.3 | 83% | 0.825 | 77% | 0.772 | S | S | * | * | trans | -153.5 | 146.5 | 149.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 790 | S | 33.2 | Very low | 32.5 | Very low | 103 Ų | 103 | 148.5 Ų | 148.5 | 72% | 0.72 | 77% | 0.77 | S | S | * | * | trans | -161.4 | 146.3 | -168.5 | -178.4 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 791 | V | 34.7 | Very low | 32.5 | Very low | 134 Ų | 134 | 149.1 Ų | 149.1 | 81% | 0.812 | 77% | 0.773 | S | S | * | * | trans | -146.3 | 125.9 | 151.3 | -178.5 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 792 | N | 34.3 | Very low | 32.3 | Very low | 117 Ų | 117 | 146.6 Ų | 146.6 | 63% | 0.626 | 76% | 0.763 | S | S | * | * | cis | 94.3 | 69.5 | 4.8 | -153.7 | -27.9 | 0 | 0 | 0 | 118 | ||||
| 793 | R | 34 | Very low | 32.2 | Very low | 239 Ų | 239 | 146.5 Ų | 146.5 | 90% | 0.902 | 77% | 0.767 | S | S | * | * | trans | -161.1 | 143.8 | 155.1 | -97.6 | 169.4 | -162.2 | -151.9 | 3.2 | 110.3 | ||||
| 794 | K | 33.9 | Very low | 32.5 | Very low | 177 Ų | 177 | 142.2 Ų | 142.2 | 77% | 0.77 | 77% | 0.771 | S | S | * | * | cis | -175.5 | 164.9 | -40.8 | -113.6 | -178.9 | 178.7 | -175.8 | 0 | 106.6 | ||||
| 795 | R | 34.7 | Very low | 32.6 | Very low | 217 Ų | 217 | 140.6 Ų | 140.6 | 82% | 0.819 | 77% | 0.765 | S | S | * | * | cis | -86.6 | -146.6 | 8.6 | -61.4 | 174.9 | -169.7 | -164.9 | 2.4 | 109.8 | ||||
| 796 | R | 32 | Very low | 32.9 | Very low | 128 Ų | 128 | 138.6 Ų | 138.6 | 48% | 0.483 | 76% | 0.762 | S | S | . | * | cis | 68 | 164.6 | 3.4 | -91.4 | -154.5 | 156 | -164.9 | -3.9 | 118.6 | D798 E799 | R796-D798 IonicContact CZ-OD2 2.73Å; R796-D798 IonicContact NE-OD1 3.29Å; R796-D798 IonicContact NE-OD2 3.08Å; R796-D798 PolarHBondContact NE-OD2 3.45Å; R796-D798 IonicContact NH2-OD2 3.32Å; R796-D798 PolarHBondContact NH2-OD2 3.07Å; R796-E799 IonicContact CZ-OE2 3.34Å; R796-E799 IonicContact NH1-OE2 2.66Å; R796-E799 PolarHBondContact NH1-OE2 2.95Å; R796-E799 VanDerWaalsContact NH2-CG 3.31Å; R796-E799 IonicContact NH2-OE2 3.78Å; R796-E799 PolarHBondContact NH2-OE2 3.32Å | ||
| 797 | Y | 38.3 | Very low | 32.9 | Very low | 183 Ų | 183 | 140.1 Ų | 140.1 | 72% | 0.718 | 76% | 0.76 | S | S | * | * | cis | -113.5 | 164.6 | 6.4 | -105.2 | -90.5 | 0 | 0 | 0 | 113.4 | ||||
| 798 | D | 35.9 | Very low | 33.1 | Very low | 105 Ų | 105 | 141 Ų | 141 | 56% | 0.561 | 76% | 0.76 | S | S | * | * | trans | -122.5 | -161.4 | -171.3 | -16.4 | -44.8 | 0 | 0 | 0 | 107.3 | R796 | R796-D798 IonicContact CZ-OD2 2.73Å; R796-D798 IonicContact NE-OD1 3.29Å; R796-D798 IonicContact NE-OD2 3.08Å; R796-D798 PolarHBondContact NE-OD2 3.45Å; R796-D798 IonicContact NH2-OD2 3.32Å; R796-D798 PolarHBondContact NH2-OD2 3.07Å | ||
| 799 | E | 35.4 | Very low | 33.2 | Very low | 126 Ų | 126 | 136.8 Ų | 136.8 | 59% | 0.589 | 76% | 0.755 | S | S | * | * | cis | -163.8 | 128.4 | 40.7 | -80.1 | -172.5 | 52.9 | 0 | 0 | 109.2 | R796 | R796-E799 IonicContact CZ-OE2 3.34Å; R796-E799 IonicContact NH1-OE2 2.66Å; R796-E799 PolarHBondContact NH1-OE2 2.95Å; R796-E799 VanDerWaalsContact NH2-CG 3.31Å; R796-E799 IonicContact NH2-OE2 3.78Å; R796-E799 PolarHBondContact NH2-OE2 3.32Å | ||
| 800 | T | 31.3 | Very low | 32.9 | Very low | 118 Ų | 118 | 138.4 Ų | 138.4 | 72% | 0.724 | 75% | 0.754 | S | S | * | * | 104.7 | 176.4 | 89.9 | 63.4 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 801 | V | 34.7 | Very low | 32.9 | Very low | 143 Ų | 143 | 139 Ų | 139 | 87% | 0.867 | 76% | 0.758 | S | S | * | * | trans | 88.4 | 133.4 | 172.2 | -172.6 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 802 | A | 31.2 | Very low | 32.8 | Very low | 78 Ų | 78 | 140.3 Ų | 140.3 | 65% | 0.645 | 76% | 0.76 | S | S | * | * | cis | -166 | 147.5 | -31 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 803 | L | 28.4 | Very low | 32.7 | Very low | 167 Ų | 167 | 141.1 Ų | 141.1 | 87% | 0.874 | 77% | 0.769 | S | S | * | * | trans | 41.3 | 116.2 | 144.3 | -63.5 | 166.1 | 0 | 0 | 0 | 121.4 | ||||
| 804 | S | 34.3 | Very low | 32.4 | Very low | 127 Ų | 127 | 134.7 Ų | 134.7 | 89% | 0.888 | 76% | 0.76 | S | S | * | * | 176.4 | 160.2 | 95.7 | 48.4 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 805 | S | 32.4 | Very low | 32.3 | Very low | 113 Ų | 113 | 130.7 Ų | 130.7 | 79% | 0.79 | 75% | 0.754 | S | S | * | * | trans | -146.6 | 165 | 173.4 | 62.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 806 | P | 34.5 | Very low | 32.1 | Very low | 129 Ų | 129 | 131.9 Ų | 131.9 | 84% | 0.838 | 76% | 0.759 | S | S | * | * | -146.1 | 164.8 | 115.2 | 37.6 | -22.5 | 0 | 0 | 0 | 116.1 | |||||
| 807 | S | 28.3 | Very low | 31.9 | Very low | 112 Ų | 112 | 132.3 Ų | 132.3 | 78% | 0.783 | 77% | 0.77 | S | S | * | * | trans | -87.3 | 149.2 | -175.4 | 53.8 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 808 | S | 31.7 | Very low | 31.5 | Very low | 110 Ų | 110 | 129.2 Ų | 129.2 | 77% | 0.769 | 77% | 0.766 | S | S | * | * | trans | -175.7 | 159.2 | 146.3 | 50.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 809 | I | 30.5 | Very low | 31.2 | Very low | 166 Ų | 166 | 132.5 Ų | 132.5 | 85% | 0.851 | 78% | 0.778 | S | S | * | * | cis | -149.2 | 157.2 | -23.4 | -109.8 | 164.8 | 0 | 0 | 0 | 108.2 | ||||
| 810 | S | 26.3 | Very low | 31.3 | Very low | 114 Ų | 114 | 131.5 Ų | 131.5 | 80% | 0.797 | 78% | 0.782 | S | S | * | * | trans | -66.7 | 152.3 | -173.4 | -42.4 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 811 | S | 33.8 | Very low | 31.1 | Very low | 116 Ų | 116 | 130.6 Ų | 130.6 | 81% | 0.811 | 78% | 0.781 | S | S | * | * | trans | -149.2 | 107.8 | 137.5 | 63.6 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 812 | N | 33.3 | Very low | 30.9 | Very low | 161 Ų | 161 | 130.5 Ų | 130.5 | 86% | 0.861 | 78% | 0.78 | S | S | * | * | trans | -112.7 | 126.7 | 166.9 | -101.5 | -23.3 | 0 | 0 | 0 | 108.4 | ||||
| 813 | V | 31.8 | Very low | 31 | Very low | 134 Ų | 134 | 132.1 Ų | 132.1 | 81% | 0.812 | 78% | 0.784 | S | S | * | * | trans | -144.1 | 101.2 | 169.4 | -178.6 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 814 | C | 27.3 | Very low | 31.1 | Very low | 104 Ų | 104 | 135.3 Ų | 135.3 | 70% | 0.703 | 79% | 0.786 | S | S | * | * | 60.6 | 100.4 | 77.1 | -81.9 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 815 | S | 31.6 | Very low | 30.9 | Very low | 94 Ų | 94 | 136.9 Ų | 136.9 | 66% | 0.657 | 78% | 0.78 | S | S | * | * | 90.5 | 131.4 | 73.8 | 71 | 0 | 0 | 0 | 0 | 115 | |||||
| 816 | R | 30.7 | Very low | 31 | Very low | 242 Ų | 242 | 139.8 Ų | 139.8 | 91% | 0.913 | 78% | 0.781 | S | S | * | * | trans | -174.7 | 157.3 | 159.9 | -97.9 | 149.8 | -159.8 | -115.4 | 6.8 | 109.8 | ||||
| 817 | L | 27.3 | Very low | 30.8 | Very low | 136 Ų | 136 | 140 Ų | 140 | 71% | 0.712 | 78% | 0.78 | S | S | * | * | cis | -171.6 | 149.5 | -48.3 | -111.5 | 162.4 | 0 | 0 | 0 | 110.3 | ||||
| 818 | N | 30.6 | Very low | 30.9 | Very low | 119 Ų | 119 | 138 Ų | 138 | 64% | 0.636 | 78% | 0.777 | S | S | * | * | trans | 71.9 | 112.4 | 156.8 | -65.3 | -19.7 | 0 | 0 | 0 | 123.6 | ||||
| 819 | Q | 30.4 | Very low | 30.8 | Very low | 174 Ų | 174 | 139.6 Ų | 139.6 | 81% | 0.813 | 78% | 0.782 | S | S | * | * | 48.5 | 157 | 108.5 | -65.6 | -175.8 | 8.3 | 0 | 0 | 122.5 | |||||
| 820 | P | 36.6 | Very low | 31.1 | Very low | 104 Ų | 104 | 139.8 Ų | 139.8 | 68% | 0.675 | 78% | 0.779 | S | S | * | * | cis | -143 | -176.8 | -33.9 | 40.5 | -22.4 | 0 | 0 | 0 | 115.3 | ||||
| 821 | S | 26.9 | Very low | 31.3 | Very low | 100 Ų | 100 | 142.1 Ų | 142.1 | 70% | 0.699 | 78% | 0.782 | S | S | * | * | trans | 64 | 114.6 | 153.8 | 62.7 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 822 | T | 30.4 | Very low | 31.4 | Very low | 140 Ų | 140 | 141.8 Ų | 141.8 | 86% | 0.859 | 78% | 0.775 | S | S | * | * | -179.9 | 151.5 | 103.2 | 28.6 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 823 | P | 35 | Very low | 31.2 | Very low | 112 Ų | 112 | 141.2 Ų | 141.2 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | trans | -107.1 | 147.3 | 176.1 | 37.5 | -30.1 | 0 | 0 | 0 | 113.3 | ||||
| 824 | Y | 29.8 | Very low | 31.2 | Very low | 234 Ų | 234 | 143.3 Ų | 143.3 | 92% | 0.918 | 77% | 0.765 | S | S | * | * | trans | -151.6 | 165.2 | 150.4 | -111.2 | -75 | 0 | 0 | 0 | 111.8 | ||||
| 825 | Q | 31 | Very low | 31.4 | Very low | 161 Ų | 161 | 143 Ų | 143 | 75% | 0.752 | 77% | 0.765 | S | S | * | * | trans | -109.1 | 155 | -165.4 | -54.8 | 163 | -49.6 | 0 | 0 | 112.4 | ||||
| 826 | Q | 33.8 | Very low | 31.4 | Very low | 174 Ų | 174 | 147.2 Ų | 147.2 | 81% | 0.813 | 77% | 0.774 | S | S | * | * | 176.1 | 112.2 | 120.5 | -94.4 | 166.5 | 20 | 0 | 0 | 109.6 | |||||
| 827 | T | 28.9 | Very low | 31.3 | Very low | 133 Ų | 133 | 139.8 Ų | 139.8 | 82% | 0.816 | 76% | 0.759 | S | S | * | * | 59.7 | 130.1 | 96 | 60.5 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 828 | G | 31.6 | Very low | 31.4 | Very low | 69 Ų | 69 | 144 Ų | 144 | 71% | 0.711 | 77% | 0.767 | S | S | * | * | cis | -171.4 | -168 | 3.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 829 | T | 29.9 | Very low | 31.3 | Very low | 145 Ų | 145 | 146.3 Ų | 146.3 | 89% | 0.89 | 78% | 0.776 | S | S | * | * | cis | -161.2 | 136.3 | -3.1 | 6.3 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 830 | H | 36 | Very low | 31.2 | Very low | 170 Ų | 170 | 144 Ų | 144 | 79% | 0.787 | 78% | 0.776 | S | S | * | * | trans | -93.8 | 159 | 165.9 | -122.1 | -82.8 | 0 | 0 | 0 | 109.9 | ||||
| 831 | L | 30.7 | Very low | 30.8 | Very low | 162 Ų | 162 | 142.5 Ų | 142.5 | 85% | 0.848 | 77% | 0.768 | S | S | * | * | trans | -135.6 | 154.8 | 153.5 | -140.1 | 93.3 | 0 | 0 | 0 | 111.2 | ||||
| 832 | V | 35.1 | Very low | 31 | Very low | 110 Ų | 110 | 143.3 Ų | 143.3 | 67% | 0.667 | 77% | 0.77 | S | S | * | * | trans | -153.5 | 148 | -170.7 | 173.5 | 0 | 0 | 0 | 0 | 107 | ||||
| 833 | Q | 30.8 | Very low | 30.9 | Very low | 149 Ų | 149 | 144.8 Ų | 144.8 | 70% | 0.696 | 77% | 0.765 | S | S | * | * | trans | 174.7 | 157.3 | 151.7 | -96.1 | 156.9 | 5.3 | 0 | 0 | 110.1 | ||||
| 834 | F | 30.3 | Very low | 30.8 | Very low | 178 Ų | 178 | 142.9 Ų | 142.9 | 78% | 0.781 | 77% | 0.766 | S | S | * | * | cis | -141.9 | 174.3 | 0.1 | -120.5 | -49.8 | 0 | 0 | 0 | 111.3 | ||||
| 835 | S | 32.7 | Very low | 31 | Very low | 98 Ų | 98 | 140.8 Ų | 140.8 | 69% | 0.685 | 76% | 0.757 | S | S | * | * | trans | -96 | 165.3 | -174.5 | 78.7 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 836 | E | 31.2 | Very low | 31.8 | Very low | 182 Ų | 182 | 139.7 Ų | 139.7 | 85% | 0.85 | 75% | 0.752 | S | S | * | * | -156.4 | 111.9 | 128.6 | -117.6 | 171.8 | -169.5 | 0 | 0 | 116.3 | |||||
| 837 | S | 28.8 | Very low | 32.4 | Very low | 85 Ų | 85 | 136.7 Ų | 136.7 | 59% | 0.594 | 74% | 0.736 | S | S | * | * | trans | 45.9 | 136 | 135.2 | 74.2 | 0 | 0 | 0 | 0 | 125.5 | ||||
| 838 | Y | 28.2 | Very low | 33.4 | Very low | 224 Ų | 224 | 132.9 Ų | 132.9 | 88% | 0.878 | 71% | 0.714 | S | S | * | * | trans | 58.4 | 97.8 | 151.2 | -67.2 | -65.8 | 0 | 0 | 0 | 121.3 | ||||
| 839 | M | 29.5 | Very low | 34.8 | Very low | 169 Ų | 169 | 132.7 Ų | 132.7 | 83% | 0.833 | 70% | 0.699 | S | S | * | * | -174.9 | 150.1 | 121.4 | -96.3 | -60.1 | 166.6 | 0 | 0 | 109.8 | S841 | M839-S841 PolarHBondContact O-N 2.93Š| |||
| 840 | P | 28.2 | Very low | 36.6 | Very low | 126 Ų | 126 | 131.2 Ų | 131.2 | 82% | 0.818 | 68% | 0.682 | S | S | * | * | trans | -80.2 | 104.7 | 179.5 | 31.7 | -30.7 | 0 | 0 | 0 | 111.1 | ||||
| 841 | S | 28.2 | Very low | 38.3 | Very low | 71 Ų | 71 | 123.9 Ų | 123.9 | 50% | 0.497 | 65% | 0.649 | S | S | . | * | trans | -101.3 | 149.1 | -178 | 38.9 | 0 | 0 | 0 | 0 | 112.9 | M839 F843 | M839-S841 PolarHBondContact O-N 2.93Å; S841-F843 PolarHBondContact O-N 2.89Å; S841-F843 VanDerWaalsContact OG-CE2 3.28Å; S841-F843 WeakPolarHBondContact OG-CE2 3.23Å | ||
| 842 | P | 31.2 | Very low | 40.3 | Very low | 117 Ų | 117 | 119.2 Ų | 119.2 | 76% | 0.76 | 62% | 0.624 | S | S | * | * | trans | -84.2 | 73.8 | -166.1 | 34.3 | -37.5 | 0 | 0 | 0 | 113.5 | G844 | P842-G844 VanDerWaalsContact C-N 3.27Å; P842-G844 PolarHBondContact O-N 3.45Å | ||
| 843 | F | 28.7 | Very low | 42.3 | Very low | 171 Ų | 171 | 122.3 Ų | 122.3 | 75% | 0.75 | 63% | 0.626 | S | S | * | * | trans | -72 | 71.8 | 177 | -77.6 | -78.8 | 0 | 0 | 0 | 113.4 | S841 | S841-F843 PolarHBondContact O-N 2.89Å; S841-F843 VanDerWaalsContact OG-CE2 3.28Å; S841-F843 WeakPolarHBondContact OG-CE2 3.23Å | ||
| 844 | G | 32.9 | Very low | 44.5 | Very low | 72 Ų | 72 | 118.7 Ų | 118.7 | 74% | 0.742 | 61% | 0.606 | S | S | * | * | trans | -146.3 | 18.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | P842 | P842-G844 VanDerWaalsContact C-N 3.27Å; P842-G844 PolarHBondContact O-N 3.45Å | ||
| 845 | R | 34 | Very low | 47 | Very low | 191 Ų | 191 | 110.3 Ų | 110.3 | 72% | 0.721 | 57% | 0.569 | S | S | * | * | trans | -126.7 | 7.6 | -171 | -69.4 | -171.7 | 176.4 | -173.7 | -0.8 | 116.4 | ||||
| 846 | Q | 47.9 | Very low | 49.3 | Very low | 138 Ų | 138 | 107.1 Ų | 107.1 | 65% | 0.645 | 55% | 0.549 | S | S | * | . | S | Bend | trans | -85.2 | -16.2 | -169 | -76.4 | -178.7 | -55.2 | 0 | 0 | 116.8 | T849 | Q846-T849 PolarHBondContact O-OG1 3.13Š|
| 847 | K | 44.9 | Very low | 51.8 | Low | 111 Ų | 111 | 101.8 Ų | 101.8 | 48% | 0.483 | 52% | 0.522 | S | S | . | . | S | Bend | trans | -74.2 | -46.8 | -175.6 | -81.3 | -153.2 | 165.8 | -153.5 | 0 | 114 | D474 T849 Q850 | D474-K847 IonicContact OD2-NZ 3.63Å; D474-K847 PolarHBondContact OD2-NZ 3.44Å; K847-T849 PolarHBondContact O-N 2.72Å; K847-T849 VanDerWaalsContact O-N 3.17Å; K847-Q850 PolarHBondContact O-N 3.29Å |
| 848 | S | 50.6 | Low | 54.6 | Low | 52 Ų | 52 | 97.7 Ų | 97.7 | 36% | 0.364 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.2 | -30.8 | -175.5 | 50.6 | 0 | 0 | 0 | 0 | 113.7 | Q850 L851 L852 | S848-Q850 VanDerWaalsContact C-N 3.3Å; S848-Q850 PolarHBondContact O-N 3.49Å; S848-L851 PolarHBondContact O-N 2.79Å; S848-L852 PolarHBondContact O-N 3.43Å |
| 849 | T | 61.2 | Low | 57.4 | Low | 65 Ų | 65 | 88.1 Ų | 88.1 | 40% | 0.399 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -66.6 | -26 | 175.7 | 39.5 | 0 | 0 | 0 | 0 | 114.1 | F746 Q846 K847 Y853 | F746-T849 HydrophobicContact CZ-CG2 4.38Å; Q846-T849 PolarHBondContact O-OG1 3.13Å; K847-T849 PolarHBondContact O-N 2.72Å; K847-T849 VanDerWaalsContact O-N 3.17Å; T849-Y853 PolarHBondContact O-N 2.85Å |
| 850 | Q | 68.4 | Low | 60 | Low | 114 Ų | 114 | 83.5 Ų | 83.5 | 53% | 0.533 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -76.9 | -35.1 | 178.5 | -66.6 | -179.6 | -29.5 | 0 | 0 | 111.9 | K847 S848 Y853 R854 | K847-Q850 PolarHBondContact O-N 3.29Å; S848-Q850 VanDerWaalsContact C-N 3.3Å; S848-Q850 PolarHBondContact O-N 3.49Å; Q850-Y853 PolarHBondContact O-N 2.8Å; Q850-R854 PolarHBondContact O-N 3.15Å |
| 851 | L | 70.4 | Confident | 62.7 | Low | 16 Ų | 16 | 78.6 Ų | 78.6 | 8% | 0.084 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -70.3 | -44.7 | -179.7 | -47.1 | -169.7 | 0 | 0 | 0 | 111 | P473 S848 Y853 R854 Q855 | P473-L851 HydrophobicContact CB-CD2 3.67Å; P473-L851 HydrophobicContact CG-CD1 3.96Å; P473-L851 HydrophobicContact CG-CD2 3.63Å; P473-L851 HydrophobicContact CG-CG 4.23Å; S848-L851 PolarHBondContact O-N 2.79Å; L851-Y853 VanDerWaalsContact C-N 3.3Å; L851-Y853 PolarHBondContact O-N 3.39Å; L851-R854 PolarHBondContact O-N 2.92Å; L851-Q855 WeakPolarHBondContact O-CB 3.31Å; L851-Q855 PolarHBondContact O-N 3.01Å |
| 852 | L | 73.4 | Confident | 65.5 | Low | 64 Ų | 64 | 75.2 Ų | 75.2 | 34% | 0.335 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -51.2 | -47.1 | 169 | -88.4 | 160.1 | 0 | 0 | 0 | 112 | V727 S848 A856 | V727-L852 HydrophobicContact CG1-CD2 3.29Å; V727-L852 HydrophobicContact CG1-CG 3.64Å; S848-L852 PolarHBondContact O-N 3.43Å; L852-A856 WeakPolarHBondContact O-CB 3.42Å; L852-A856 PolarHBondContact O-N 3.18Å |
| 853 | Y | 77.5 | Confident | 68.2 | Low | 176 Ų | 176 | 71.6 Ų | 71.6 | 69% | 0.69 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -66.6 | -45.4 | -179.4 | -177.4 | -95.9 | 0 | 0 | 0 | 112.8 | T849 Q850 L851 A856 K857 | T849-Y853 PolarHBondContact O-N 2.85Å; Q850-Y853 PolarHBondContact O-N 2.8Å; L851-Y853 VanDerWaalsContact C-N 3.3Å; L851-Y853 PolarHBondContact O-N 3.39Å; Y853-A856 PolarHBondContact O-N 3.29Å; Y853-K857 PolarHBondContact O-N 3.18Å |
| 854 | R | 76.7 | Confident | 70.7 | Confident | 73 Ų | 73 | 71 Ų | 71 | 28% | 0.275 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -59.9 | -48.7 | 175.5 | -76.2 | 179.6 | 168.3 | -136.1 | -20.2 | 111.7 | Y527 D528 Q850 L851 A856 K857 L858 | Y527-R854 HydrophobicContact CD1-CB 4.38Å; D528-R854 IonicContact OD1-CZ 2.83Å; D528-R854 IonicContact OD1-NH1 3.88Å; D528-R854 PolarHBondContact OD1-NH1 3.44Å; D528-R854 IonicContact OD1-NH2 2.7Å; D528-R854 PolarHBondContact OD1-NH2 3.22Å; Q850-R854 PolarHBondContact O-N 3.15Å; L851-R854 PolarHBondContact O-N 2.92Å; R854-A856 VanDerWaalsContact C-N 3.34Å; R854-A856 PolarHBondContact O-N 2.96Å; R854-K857 WeakPolarHBondContact O-CB 3.28Å; R854-K857 PolarHBondContact O-N 2.94Å; R854-K857 VanDerWaalsContact O-N 3.14Å; R854-L858 PolarHBondContact O-N 2.85Å; R854-L858 VanDerWaalsContact O-N 3.13Å |
| 855 | Q | 83.1 | Confident | 73.1 | Confident | 1 Ų | 1 | 69 Ų | 69 | 1% | 0.005 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -66.9 | -36.6 | -179.8 | -167.2 | 57.6 | 42.9 | 0 | 0 | 112.3 | L722 V727 L851 K857 L858 W859 | L722-Q855 PolarHBondContact O-NE2 3.17Å; V727-Q855 HydrophobicContact CG2-CB 4.33Å; V727-Q855 HydrophobicContact CG2-CG 4.07Å; L851-Q855 WeakPolarHBondContact O-CB 3.31Å; L851-Q855 PolarHBondContact O-N 3.01Å; Q855-K857 VanDerWaalsContact C-N 3.33Å; Q855-K857 PolarHBondContact O-N 3.21Å; Q855-L858 PolarHBondContact O-N 3.24Å; Q855-W859 HydrophobicContact CG-CD2 4.13Å; Q855-W859 HydrophobicContact CG-CH2 4.19Å; Q855-W859 HydrophobicContact CG-CZ2 3.63Å; Q855-W859 VanDerWaalsContact O-CG 3.32Å; Q855-W859 PolarHBondContact O-N 3.34Å |
| 856 | A | 81.3 | Confident | 75.5 | Confident | 32 Ų | 32 | 60.4 Ų | 60.4 | 26% | 0.264 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -66.2 | -32.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L852 Y853 R854 W859 N860 | L852-A856 WeakPolarHBondContact O-CB 3.42Å; L852-A856 PolarHBondContact O-N 3.18Å; Y853-A856 PolarHBondContact O-N 3.29Å; R854-A856 VanDerWaalsContact C-N 3.34Å; R854-A856 PolarHBondContact O-N 2.96Å; A856-W859 HydrophobicContact CB-CE3 4.44Å; A856-N860 WeakPolarHBondContact O-CB 3.36Å; A856-N860 PolarHBondContact O-N 3.27Å; A856-N860 PolarHBondContact O-ND2 2.84Å |
| 857 | K | 83.5 | Confident | 77.3 | Confident | 69 Ų | 69 | 53.8 Ų | 53.8 | 30% | 0.3 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -61.6 | -52.9 | 170.3 | 179.4 | -174.5 | 156.9 | -171.1 | 0 | 110.2 | D531 Y853 R854 Q855 W859 N860 I861 | D531-K857 WeakPolarHBondContact OD1-CD 3.29Å; D531-K857 VanDerWaalsContact OD1-CE 3.31Å; D531-K857 WeakPolarHBondContact OD1-CE 3.45Å; D531-K857 IonicContact OD1-NZ 3.39Å; D531-K857 PolarHBondContact OD1-NZ 2.59Å; D531-K857 WeakPolarHBondContact OD2-CD 3.21Å; D531-K857 WeakPolarHBondContact OD2-CE 3.36Å; D531-K857 IonicContact OD2-NZ 3.5Å; D531-K857 PolarHBondContact OD2-NZ 3.04Å; Y853-K857 PolarHBondContact O-N 3.18Å; R854-K857 WeakPolarHBondContact O-CB 3.28Å; R854-K857 PolarHBondContact O-N 2.94Å; R854-K857 VanDerWaalsContact O-N 3.14Å; Q855-K857 VanDerWaalsContact C-N 3.33Å; Q855-K857 PolarHBondContact O-N 3.21Å; K857-W859 PolarHBondContact O-N 3.34Å; K857-N860 PolarHBondContact O-N 3.39Å; K857-N860 VanDerWaalsContact O-N 3.08Å; K857-I861 HydrophobicContact CD-CD1 4.43Å; K857-I861 HydrophobicContact CG-CD1 3.92Å; K857-I861 WeakPolarHBondContact O-CG1 3.29Å; K857-I861 PolarHBondContact O-N 2.93Å |
| 858 | L | 86 | Confident | 79.4 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -57.3 | -48.6 | 179.3 | -67.3 | 175.8 | 0 | 0 | 0 | 112.3 | Y527 A530 R854 Q855 N860 I861 V862 | Y527-L858 HydrophobicContact CD1-CD1 4.42Å; A530-L858 HydrophobicContact CB-CD2 4.35Å; R854-L858 PolarHBondContact O-N 2.85Å; R854-L858 VanDerWaalsContact O-N 3.13Å; Q855-L858 PolarHBondContact O-N 3.24Å; L858-N860 VanDerWaalsContact C-N 3.28Å; L858-N860 PolarHBondContact O-N 3.3Å; L858-I861 PolarHBondContact O-N 3.19Å; L858-V862 WeakPolarHBondContact O-CG2 3.42Å; L858-V862 PolarHBondContact O-N 3.4Å; L858-V862 VanDerWaalsContact O-N 3.08Å |
| 859 | W | 87.6 | Confident | 81.1 | Confident | 23 Ų | 23 | 47 Ų | 47 | 9% | 0.087 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -56.9 | -40 | 174.8 | -66.4 | -26.9 | 0 | 0 | 0 | 112.5 | V723 V727 Q855 A856 K857 R863 G897 L898 R900 | V723-W859 PolarHBondContact O-NE1 3.26Å; V727-W859 HydrophobicContact CG2-CH2 4.08Å; V727-W859 HydrophobicContact CG2-CZ2 4.23Å; Q855-W859 HydrophobicContact CG-CD2 4.13Å; Q855-W859 HydrophobicContact CG-CH2 4.19Å; Q855-W859 HydrophobicContact CG-CZ2 3.63Å; Q855-W859 VanDerWaalsContact O-CG 3.32Å; Q855-W859 PolarHBondContact O-N 3.34Å; A856-W859 HydrophobicContact CB-CE3 4.44Å; K857-W859 PolarHBondContact O-N 3.34Å; W859-R863 WeakPolarHBondContact O-CB 3.38Å; W859-R863 PolarHBondContact O-N 3.13Å; W859-G897 PolarHBondContact NE1-O 2.92Å; W859-L898 HydrophobicContact CB-CD2 4.15Å; W859-L898 HydrophobicContact CG-CD2 4.23Å; W859-R900 HydrophobicContact CH2-CB 3.7Å; W859-R900 HydrophobicContact CZ2-CB 3.6Å |
| 860 | N | 84.8 | Confident | 82.3 | Confident | 72 Ų | 72 | 44 Ų | 44 | 39% | 0.385 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -71.5 | -31.5 | 179.4 | -84.4 | -64.6 | 0 | 0 | 0 | 113.5 | A856 K857 L858 R864 | A856-N860 WeakPolarHBondContact O-CB 3.36Å; A856-N860 PolarHBondContact O-N 3.27Å; A856-N860 PolarHBondContact O-ND2 2.84Å; K857-N860 PolarHBondContact O-N 3.39Å; K857-N860 VanDerWaalsContact O-N 3.08Å; L858-N860 VanDerWaalsContact C-N 3.28Å; L858-N860 PolarHBondContact O-N 3.3Å; N860-R864 WeakPolarHBondContact O-CB 3.34Å; N860-R864 WeakPolarHBondContact O-CG 3.41Å; N860-R864 PolarHBondContact O-N 2.78Å |
| 861 | I | 84.4 | Confident | 83.3 | Confident | 22 Ų | 22 | 38.5 Ų | 38.5 | 11% | 0.113 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -76.4 | -46.9 | 177.4 | -55.4 | 165.4 | 0 | 0 | 0 | 110.4 | V534 K857 L858 R863 R864 Q865 | V534-I861 HydrophobicContact CG1-CB 3.61Å; V534-I861 HydrophobicContact CG1-CD1 3.9Å; V534-I861 HydrophobicContact CG1-CG1 4.37Å; V534-I861 HydrophobicContact CG1-CG2 3.37Å; K857-I861 HydrophobicContact CD-CD1 4.43Å; K857-I861 HydrophobicContact CG-CD1 3.92Å; K857-I861 WeakPolarHBondContact O-CG1 3.29Å; K857-I861 PolarHBondContact O-N 2.93Å; L858-I861 PolarHBondContact O-N 3.19Å; I861-R863 PolarHBondContact O-N 3.36Å; I861-R864 PolarHBondContact O-N 2.72Å; I861-Q865 HydrophobicContact CG2-CG 4.26Å; I861-Q865 PolarHBondContact O-N 2.73Å |
| 862 | V | 87.4 | Confident | 84.2 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -54.4 | -40 | 173.6 | 174.2 | 0 | 0 | 0 | 0 | 111.2 | L694 F698 I719 L722 V723 L858 G867 L898 | L694-V862 HydrophobicContact CD2-CG2 4.09Å; F698-V862 HydrophobicContact CE2-CG1 4.27Å; F698-V862 HydrophobicContact CZ-CG1 4.25Å; I719-V862 HydrophobicContact CG2-CG1 4.48Å; L722-V862 HydrophobicContact CB-CG2 4.38Å; L722-V862 HydrophobicContact CD1-CG2 4.12Å; V723-V862 HydrophobicContact CG1-CB 4.38Å; V723-V862 HydrophobicContact CG1-CG1 4.18Å; V723-V862 HydrophobicContact CG1-CG2 4.1Å; L858-V862 WeakPolarHBondContact O-CG2 3.42Å; L858-V862 PolarHBondContact O-N 3.4Å; L858-V862 VanDerWaalsContact O-N 3.08Å; V862-G867 WeakPolarHBondContact O-CA 3.42Å; V862-G867 PolarHBondContact O-N 3.31Å; V862-L898 HydrophobicContact CG1-CD1 4.31Å; V862-L898 HydrophobicContact CG1-CD2 4.35Å |
| 863 | R | 87.5 | Confident | 84.7 | Confident | 42 Ų | 42 | 40.3 Ų | 40.3 | 16% | 0.158 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.8 | -47.7 | 173.1 | 178.7 | 177.5 | 175.9 | -168.3 | 0.7 | 113.1 | W859 I861 Q865 H866 I868 D1430 | W859-R863 WeakPolarHBondContact O-CB 3.38Å; W859-R863 PolarHBondContact O-N 3.13Å; I861-R863 PolarHBondContact O-N 3.36Å; R863-Q865 VanDerWaalsContact C-N 3.33Å; R863-Q865 PolarHBondContact O-N 3.34Å; R863-H866 PolarHBondContact O-N 3.32Å; R863-H866 VanDerWaalsContact O-N 3.13Å; R863-I868 HydrophobicContact CB-CD1 4.47Å; R863-I868 HydrophobicContact CG-CD1 3.96Å; R863-D1430 WeakPolarHBondContact CD-OD1 3.4Å; R863-D1430 WeakPolarHBondContact CG-OD1 3.47Å; R863-D1430 IonicContact CZ-OD1 3.49Å; R863-D1430 IonicContact CZ-OD2 2.62Å; R863-D1430 VanDerWaalsContact CZ-OD2 3.29Å; R863-D1430 VanDerWaalsContact NE-CG 3.31Å; R863-D1430 IonicContact NE-OD1 3.38Å; R863-D1430 PolarHBondContact NE-OD1 3.16Å; R863-D1430 IonicContact NE-OD2 2.73Å; R863-D1430 PolarHBondContact NE-OD2 3.18Å; R863-D1430 VanDerWaalsContact NE-OD2 3.1Å; R863-D1430 IonicContact NH2-OD1 3.13Å; R863-D1430 IonicContact NH2-OD2 3.54Å; R863-D1430 PolarHBondContact NH2-OD2 3.16Å |
| 864 | R | 82 | Confident | 85.2 | Confident | 158 Ų | 158 | 32 Ų | 32 | 60% | 0.596 | 14% | 0.142 | S | C | * | . | H | α-helix | trans | -62.5 | -35.3 | -178.7 | -80.4 | 170.6 | -177.5 | -162.5 | 2.7 | 114 | N860 I861 H866 K1428 | N860-R864 WeakPolarHBondContact O-CB 3.34Å; N860-R864 WeakPolarHBondContact O-CG 3.41Å; N860-R864 PolarHBondContact O-N 2.78Å; I861-R864 PolarHBondContact O-N 2.72Å; R864-H866 PolarHBondContact O-N 3.16Å; R864-K1428 PolarHBondContact O-NZ 2.78Å |
| 865 | Q | 82.6 | Confident | 85.6 | Confident | 31 Ų | 31 | 28.7 Ų | 28.7 | 15% | 0.145 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | 21.2 | 176.2 | -48 | -52.7 | 15.2 | 0 | 0 | 113.1 | N692 L694 H695 F698 I861 R863 G867 | N692-Q865 PolarHBondContact OD1-NE2 3.2Å; L694-Q865 HydrophobicContact CB-CG 4.32Å; L694-Q865 HydrophobicContact CD2-CB 4.48Å; L694-Q865 HydrophobicContact CD2-CG 4.27Å; H695-Q865 HydrophobicContact CB-CB 4.31Å; F698-Q865 HydrophobicContact CD2-CB 4.35Å; F698-Q865 VanDerWaalsContact CD2-O 3.31Å; F698-Q865 WeakPolarHBondContact CD2-O 3.41Å; F698-Q865 HydrophobicContact CE2-CB 4.44Å; I861-Q865 HydrophobicContact CG2-CG 4.26Å; I861-Q865 PolarHBondContact O-N 2.73Å; R863-Q865 VanDerWaalsContact C-N 3.33Å; R863-Q865 PolarHBondContact O-N 3.34Å; Q865-G867 VanDerWaalsContact C-N 3.34Å; Q865-G867 PolarHBondContact O-N 2.87Å |
| 866 | H | 84.8 | Confident | 85.5 | Confident | 9 Ų | 9 | 34.7 Ų | 34.7 | 4% | 0.042 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.2 | 16.5 | 174.7 | -47.1 | -75.6 | 0 | 0 | 0 | 116.5 | H695 R863 R864 I868 M869 V870 K1428 K1431 | H695-H866 AromaticContact CD2-CD2 3.85Å; H695-H866 AromaticContact NE2-CD2 3.63Å; R863-H866 PolarHBondContact O-N 3.32Å; R863-H866 VanDerWaalsContact O-N 3.13Å; R864-H866 PolarHBondContact O-N 3.16Å; H866-I868 PolarHBondContact O-N 3.07Å; H866-M869 HydrophobicContact CB-CB 4.45Å; H866-M869 HydrophobicContact CB-CE 4.11Å; H866-M869 WeakPolarHBondContact O-CA 3.42Å; H866-M869 VanDerWaalsContact O-CB 3.22Å; H866-M869 WeakPolarHBondContact O-CB 3.45Å; H866-M869 PolarHBondContact O-N 3.17Å; H866-V870 PolarHBondContact O-N 3.31Å; H866-K1428 WeakPolarHBondContact CE1-CE 3.45Å; H866-K1428 PolarHBondContact CE1-NZ 3.46Å; H866-K1428 PolarHBondContact NE2-NZ 3.06Å; H866-K1431 WeakPolarHBondContact ND1-CB 3.49Å |
| 867 | G | 85.7 | Confident | 85.3 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -59.7 | -20.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | V862 Q865 L871 | V862-G867 WeakPolarHBondContact O-CA 3.42Å; V862-G867 PolarHBondContact O-N 3.31Å; Q865-G867 VanDerWaalsContact C-N 3.34Å; Q865-G867 PolarHBondContact O-N 2.87Å; G867-L871 WeakPolarHBondContact O-CB 3.29Å; G867-L871 WeakPolarHBondContact O-CD1 3.12Å; G867-L871 WeakPolarHBondContact O-CG 3.27Å; G867-L871 PolarHBondContact O-N 3.01Å; G867-L871 VanDerWaalsContact O-N 3.1Å |
| 868 | I | 88.2 | Confident | 84.8 | Confident | 5 Ų | 5 | 37.6 Ų | 37.6 | 3% | 0.026 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -67.7 | -37 | 171.1 | -60.4 | 176 | 0 | 0 | 0 | 111 | R863 H866 L872 L898 V904 M907 F1432 | R863-I868 HydrophobicContact CB-CD1 4.47Å; R863-I868 HydrophobicContact CG-CD1 3.96Å; H866-I868 PolarHBondContact O-N 3.07Å; I868-L872 HydrophobicContact CG2-CD1 3.99Å; I868-L872 VanDerWaalsContact O-CG 3.26Å; I868-L872 WeakPolarHBondContact O-CG 3.36Å; I868-L872 PolarHBondContact O-N 3.3Å; I868-L872 VanDerWaalsContact O-N 3.09Å; I868-L898 HydrophobicContact CG1-CD1 4.1Å; I868-V904 HydrophobicContact CD1-CG1 4.31Å; I868-V904 HydrophobicContact CD1-CG2 4.13Å; I868-M907 HydrophobicContact CD1-CE 4.18Å; I868-F1432 HydrophobicContact CG2-CD1 4.43Å; I868-F1432 HydrophobicContact CG2-CE1 4.05Å |
| 869 | M | 86.2 | Confident | 83.9 | Confident | 15 Ų | 15 | 43.3 Ų | 43.3 | 7% | 0.074 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65.7 | -48.2 | 177.8 | -169.4 | 178.6 | 64.7 | 0 | 0 | 110.9 | H866 L871 L872 Y873 K1431 D1434 | H866-M869 HydrophobicContact CB-CB 4.45Å; H866-M869 HydrophobicContact CB-CE 4.11Å; H866-M869 WeakPolarHBondContact O-CA 3.42Å; H866-M869 VanDerWaalsContact O-CB 3.22Å; H866-M869 WeakPolarHBondContact O-CB 3.45Å; H866-M869 PolarHBondContact O-N 3.17Å; M869-L871 PolarHBondContact O-N 2.84Å; M869-L872 PolarHBondContact O-N 3.36Å; M869-L872 VanDerWaalsContact O-N 3.15Å; M869-Y873 WeakPolarHBondContact O-CB 3.43Å; M869-Y873 PolarHBondContact O-N 3.44Å; M869-K1431 HydrophobicContact CE-CD 4.1Å; M869-K1431 HydrophobicContact SD-CB 4.3Å; M869-K1431 HydrophobicContact SD-CD 3.77Å; M869-K1431 HydrophobicContact SD-CG 3.67Å; M869-D1434 HydrophobicContact SD-CB 4.49Å |
| 870 | V | 86.2 | Confident | 83.4 | Confident | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.006 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.2 | -43 | 177.5 | 176.7 | 0 | 0 | 0 | 0 | 111.9 | F698 R702 H866 L872 Y873 H874 | F698-V870 HydrophobicContact CB-CG2 3.93Å; F698-V870 HydrophobicContact CG-CG2 4.31Å; F698-V870 WeakPolarHBondContact O-CG2 3.31Å; R702-V870 HydrophobicContact CG-CG2 4.19Å; H866-V870 PolarHBondContact O-N 3.31Å; V870-L872 VanDerWaalsContact C-N 3.28Å; V870-L872 PolarHBondContact O-N 2.98Å; V870-Y873 PolarHBondContact O-N 2.91Å; V870-H874 PolarHBondContact O-CD2 3Å; V870-H874 PolarHBondContact O-N 3.28Å |
| 871 | L | 90.4 | Very high | 83 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -69.6 | -21.4 | 177 | -70.7 | 170.7 | 0 | 0 | 0 | 113.9 | L716 I719 G867 M869 A891 L895 L898 | L716-L871 HydrophobicContact CD2-CD2 3.69Å; I719-L871 HydrophobicContact CD1-CD2 4.5Å; I719-L871 HydrophobicContact CG2-CD1 4.04Å; I719-L871 HydrophobicContact CG2-CD2 4.12Å; I719-L871 HydrophobicContact CG2-CG 4.4Å; G867-L871 WeakPolarHBondContact O-CB 3.29Å; G867-L871 WeakPolarHBondContact O-CD1 3.12Å; G867-L871 WeakPolarHBondContact O-CG 3.27Å; G867-L871 PolarHBondContact O-N 3.01Å; G867-L871 VanDerWaalsContact O-N 3.1Å; M869-L871 PolarHBondContact O-N 2.84Å; L871-A891 HydrophobicContact CD2-CB 4.5Å; L871-L895 HydrophobicContact CB-CD2 3.72Å; L871-L895 HydrophobicContact CB-CG 3.91Å; L871-L895 HydrophobicContact CD1-CD2 4.13Å; L871-L895 HydrophobicContact CD1-CG 4.43Å; L871-L898 HydrophobicContact CD1-CD1 3.57Å |
| 872 | L | 88.4 | Confident | 82.9 | Confident | 31 Ų | 31 | 48.8 Ų | 48.8 | 16% | 0.162 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -83.4 | -40.3 | 171.1 | -72 | 169.2 | 0 | 0 | 0 | 111.1 | I868 M869 V870 L875 L895 L911 L913 F1432 | I868-L872 HydrophobicContact CG2-CD1 3.99Å; I868-L872 VanDerWaalsContact O-CG 3.26Å; I868-L872 WeakPolarHBondContact O-CG 3.36Å; I868-L872 PolarHBondContact O-N 3.3Å; I868-L872 VanDerWaalsContact O-N 3.09Å; M869-L872 PolarHBondContact O-N 3.36Å; M869-L872 VanDerWaalsContact O-N 3.15Å; V870-L872 VanDerWaalsContact C-N 3.28Å; V870-L872 PolarHBondContact O-N 2.98Å; L872-L875 WeakPolarHBondContact O-CB 3.41Å; L872-L875 PolarHBondContact O-N 3.39Å; L872-L875 VanDerWaalsContact O-N 3.15Å; L872-L895 HydrophobicContact CD2-CD1 4.21Å; L872-L911 HydrophobicContact CD1-CD1 3.84Å; L872-L911 HydrophobicContact CD2-CD1 4.31Å; L872-L913 HydrophobicContact CD2-CD2 3.85Å; L872-F1432 HydrophobicContact CD1-CD1 4.2Å |
| 873 | Y | 84.9 | Confident | 82.6 | Confident | 86 Ų | 86 | 50.1 Ų | 50.1 | 34% | 0.337 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -56.3 | -52.9 | 174.7 | -179.3 | -119.4 | 0 | 0 | 0 | 111.7 | S701 M869 V870 L875 E876 T877 | S701-Y873 WeakPolarHBondContact O-CD1 3.44Å; S701-Y873 WeakPolarHBondContact O-CE1 3.48Å; M869-Y873 WeakPolarHBondContact O-CB 3.43Å; M869-Y873 PolarHBondContact O-N 3.44Å; V870-Y873 PolarHBondContact O-N 2.91Å; Y873-L875 PolarHBondContact O-N 3.08Å; Y873-L875 VanDerWaalsContact O-N 3.14Å; Y873-E876 PolarHBondContact O-N 3.07Å; Y873-T877 PolarHBondContact O-N 3.26Å |
| 874 | H | 86.3 | Confident | 82.5 | Confident | 3 Ų | 3 | 48.4 Ų | 48.4 | 1% | 0.014 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -67.4 | -13.1 | 178.2 | -73.3 | -52.8 | 0 | 0 | 0 | 115 | S701 H712 L716 V870 E876 T877 V887 A891 | S701-H874 WeakPolarHBondContact CB-NE2 3.31Å; S701-H874 PolarHBondContact O-CE1 3.08Å; S701-H874 PolarHBondContact O-NE2 3.17Å; H712-H874 AromaticContact CG-CE1 3.96Å; H712-H874 AromaticContact ND1-CE1 3.87Å; L716-H874 HydrophobicContact CD1-CB 4.14Å; L716-H874 HydrophobicContact CD2-CB 4.4Å; V870-H874 PolarHBondContact O-CD2 3Å; V870-H874 PolarHBondContact O-N 3.28Å; H874-E876 VanDerWaalsContact C-N 3.33Å; H874-T877 WeakPolarHBondContact CA-OG1 3.38Å; H874-T877 PolarHBondContact O-OG1 3.42Å; H874-V887 HydrophobicContact CB-CG1 3.91Å; H874-A891 HydrophobicContact CB-CB 3.95Å |
| 875 | L | 86.6 | Confident | 82.7 | Confident | 2 Ų | 2 | 41.6 Ų | 41.6 | 1% | 0.01 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -78.7 | -21.6 | 173.4 | -169.8 | 61.6 | 0 | 0 | 0 | 112 | L872 Y873 L895 L913 L919 L922 F938 | L872-L875 WeakPolarHBondContact O-CB 3.41Å; L872-L875 PolarHBondContact O-N 3.39Å; L872-L875 VanDerWaalsContact O-N 3.15Å; Y873-L875 PolarHBondContact O-N 3.08Å; Y873-L875 VanDerWaalsContact O-N 3.14Å; L875-L895 HydrophobicContact CD2-CD1 4.01Å; L875-L913 HydrophobicContact CD2-CD1 3.79Å; L875-L913 HydrophobicContact CD2-CD2 3.48Å; L875-L913 VanDerWaalsContact CD2-CD2 3.48Å; L875-L913 HydrophobicContact CD2-CG 4.27Å; L875-L919 HydrophobicContact CD1-CD1 4.35Å; L875-L919 HydrophobicContact CD2-CD1 4.4Å; L875-L922 HydrophobicContact CG-CD1 4.24Å; L875-F938 HydrophobicContact CD1-CE2 3.84Å |
| 876 | E | 80.9 | Confident | 82.9 | Confident | 128 Ų | 128 | 40.9 Ų | 40.9 | 60% | 0.598 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -99.8 | -1.7 | 179 | -60.6 | -170.9 | 170 | 0 | 0 | 112.9 | Y873 H874 | Y873-E876 PolarHBondContact O-N 3.07Å; H874-E876 VanDerWaalsContact C-N 3.33Å |
| 877 | T | 77.4 | Confident | 83.1 | Confident | 31 Ų | 31 | 40.7 Ų | 40.7 | 19% | 0.19 | 21% | 0.206 | C | C | . | . | trans | -54.5 | 137.9 | 174.1 | -57.2 | 0 | 0 | 0 | 0 | 112.2 | Y873 H874 Q879 R888 | Y873-T877 PolarHBondContact O-N 3.26Å; H874-T877 WeakPolarHBondContact CA-OG1 3.38Å; H874-T877 PolarHBondContact O-OG1 3.42Å; T877-Q879 WeakPolarHBondContact CG2-O 3.49Å; T877-R888 PolarHBondContact O-NE 3.23Å; T877-R888 PolarHBondContact O-NH2 3.28Å | ||
| 878 | K | 73.2 | Confident | 83.4 | Confident | 131 Ų | 131 | 41.2 Ų | 41.2 | 57% | 0.57 | 21% | 0.208 | S | C | * | . | trans | -129 | -10.8 | 179.5 | -69.6 | -177.1 | 176.9 | -175.6 | 0 | 114.8 | I881 E925 | K878-I881 WeakPolarHBondContact O-CG1 3.4Å; K878-E925 IonicContact NZ-OE1 3.86Å | ||
| 879 | Q | 67.1 | Low | 83.5 | Confident | 120 Ų | 120 | 41.5 Ų | 41.5 | 56% | 0.561 | 21% | 0.21 | S | C | * | . | trans | -137.3 | 146.2 | -179.5 | -73.1 | -178.3 | -16.4 | 0 | 0 | 110.1 | T877 | T877-Q879 WeakPolarHBondContact CG2-O 3.49Š| ||
| 880 | P | 76.1 | Confident | 83.7 | Confident | 59 Ų | 59 | 42.4 Ų | 42.4 | 38% | 0.383 | 22% | 0.215 | S | C | . | . | S | Bend | cis | -68.2 | 142.6 | -10.7 | 29.4 | -33.5 | 0 | 0 | 0 | 111.4 | V709 S882 E883 A884 | V709-P880 HydrophobicContact CG2-CG 3.67Å; P880-S882 PolarHBondContact O-N 2.75Å; P880-E883 HydrophobicContact CG-CB 4.35Å; P880-E883 PolarHBondContact O-N 3.29Å; P880-E883 VanDerWaalsContact O-N 3.07Å; P880-A884 PolarHBondContact O-N 3.14Å; P880-A884 VanDerWaalsContact O-N 3.14Å |
| 881 | I | 76.6 | Confident | 83.9 | Confident | 116 Ų | 116 | 42.4 Ų | 42.4 | 60% | 0.595 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -30.4 | -169.6 | -55.8 | 171.7 | 0 | 0 | 0 | 111.5 | K878 E883 L928 | K878-I881 WeakPolarHBondContact O-CG1 3.4Å; I881-E883 PolarHBondContact O-N 2.84Å; I881-L928 HydrophobicContact CG2-CD1 4.02Å; I881-L928 HydrophobicContact CG2-CG 4.27Å |
| 882 | S | 81.7 | Confident | 84 | Confident | 56 Ų | 56 | 42.4 Ų | 42.4 | 39% | 0.392 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | -19 | 175.7 | 46.4 | 0 | 0 | 0 | 0 | 114.8 | P880 R931 | P880-S882 PolarHBondContact O-N 2.75Å; S882-R931 PolarHBondContact O-NE 3.05Å |
| 883 | E | 82.4 | Confident | 84 | Confident | 28 Ų | 28 | 41.9 Ų | 41.9 | 13% | 0.131 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -128.2 | -2.4 | -175.1 | -63.9 | -57.3 | 160.1 | 0 | 0 | 114.3 | V709 K713 P880 I881 D885 S886 V887 R931 | V709-E883 HydrophobicContact CG1-CB 3.94Å; V709-E883 HydrophobicContact CG1-CG 4.37Å; K713-E883 WeakPolarHBondContact CE-OE2 3.48Å; K713-E883 IonicContact NZ-OE1 3.33Å; K713-E883 IonicContact NZ-OE2 2.67Å; K713-E883 PolarHBondContact NZ-OE2 3.44Å; P880-E883 HydrophobicContact CG-CB 4.35Å; P880-E883 PolarHBondContact O-N 3.29Å; P880-E883 VanDerWaalsContact O-N 3.07Å; I881-E883 PolarHBondContact O-N 2.84Å; E883-D885 VanDerWaalsContact C-N 3.28Å; E883-D885 PolarHBondContact O-N 3.21Å; E883-S886 PolarHBondContact O-N 3.15Å; E883-S886 PolarHBondContact O-OG 3.13Å; E883-S886 PolarHBondContact OE2-OG 3.47Å; E883-V887 WeakPolarHBondContact O-CG2 3.41Å; E883-V887 PolarHBondContact O-N 2.86Å; E883-R931 IonicContact OE1-CZ 3.43Å; E883-R931 IonicContact OE1-NE 3.58Å; E883-R931 IonicContact OE1-NH2 3.43Å; E883-R931 PolarHBondContact OE1-NH2 3.33Å |
| 884 | A | 84 | Confident | 84.3 | Confident | 6 Ų | 6 | 37.8 Ų | 37.8 | 5% | 0.05 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -54.8 | -44.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | P880 V887 R888 | P880-A884 PolarHBondContact O-N 3.14Å; P880-A884 VanDerWaalsContact O-N 3.14Å; A884-V887 PolarHBondContact O-N 3.23Å; A884-R888 WeakPolarHBondContact O-CB 3.35Å; A884-R888 WeakPolarHBondContact O-CD 3.46Å; A884-R888 WeakPolarHBondContact O-CG 3.28Å; A884-R888 PolarHBondContact O-N 3.37Å |
| 885 | D | 86.7 | Confident | 84.5 | Confident | 16 Ų | 16 | 37.6 Ų | 37.6 | 9% | 0.086 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -76.2 | -25.3 | -177.9 | -75.8 | -10.5 | 0 | 0 | 0 | 114.1 | E883 R888 T889 H935 | E883-D885 VanDerWaalsContact C-N 3.28Å; E883-D885 PolarHBondContact O-N 3.21Å; D885-R888 WeakPolarHBondContact OD1-CD 3.23Å; D885-R888 IonicContact OD1-CZ 3.56Å; D885-R888 IonicContact OD1-NE 2.85Å; D885-R888 IonicContact OD1-NH1 3.85Å; D885-R888 PolarHBondContact OD1-NH1 3.36Å; D885-T889 VanDerWaalsContact O-CB 3.25Å; D885-T889 WeakPolarHBondContact O-CB 3.24Å; D885-T889 PolarHBondContact O-N 3.36Å; D885-T889 PolarHBondContact O-OG1 3.13Å; D885-H935 IonicContact OD2-CE1 2.98Å; D885-H935 IonicContact OD2-CG 3.94Å; D885-H935 IonicContact OD2-ND1 2.8Å; D885-H935 PolarHBondContact OD2-ND1 3.22Å |
| 886 | S | 87.8 | Confident | 84.6 | Confident | 16 Ų | 16 | 37.6 Ų | 37.6 | 11% | 0.112 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -70.2 | -43.5 | 171 | 74.7 | 0 | 0 | 0 | 0 | 111.1 | K713 E883 T889 L890 E934 | K713-S886 WeakPolarHBondContact CE-OG 3.28Å; E883-S886 PolarHBondContact O-N 3.15Å; E883-S886 PolarHBondContact O-OG 3.13Å; E883-S886 PolarHBondContact OE2-OG 3.47Å; S886-T889 WeakPolarHBondContact O-CB 3.47Å; S886-T889 PolarHBondContact O-N 2.67Å; S886-L890 PolarHBondContact O-N 3.02Å; S886-E934 WeakPolarHBondContact CB-OE2 3.41Å |
| 887 | V | 89.3 | Confident | 84.8 | Confident | 5 Ų | 5 | 31.5 Ų | 31.5 | 3% | 0.03 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.4 | -51.1 | 173.3 | 170 | 0 | 0 | 0 | 0 | 111 | V709 K713 L716 H874 E883 A884 T889 L890 A891 | V709-V887 HydrophobicContact CG1-CG2 3.89Å; K713-V887 HydrophobicContact CG-CG2 4.44Å; L716-V887 HydrophobicContact CD1-CG1 3.84Å; H874-V887 HydrophobicContact CB-CG1 3.91Å; E883-V887 WeakPolarHBondContact O-CG2 3.41Å; E883-V887 PolarHBondContact O-N 2.86Å; A884-V887 PolarHBondContact O-N 3.23Å; V887-T889 VanDerWaalsContact C-N 3.29Å; V887-T889 PolarHBondContact O-N 2.73Å; V887-L890 PolarHBondContact O-N 2.94Å; V887-A891 WeakPolarHBondContact O-CB 3.41Å; V887-A891 PolarHBondContact O-N 3.24Å |
| 888 | R | 90.4 | Very high | 85.3 | Confident | 10 Ų | 10 | 30 Ų | 30 | 4% | 0.038 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -59.3 | -37.1 | 176.3 | -69.6 | 157.6 | -179.9 | -164.4 | -12.5 | 112.3 | T877 A884 D885 A891 C892 E925 F938 | T877-R888 PolarHBondContact O-NE 3.23Å; T877-R888 PolarHBondContact O-NH2 3.28Å; A884-R888 WeakPolarHBondContact O-CB 3.35Å; A884-R888 WeakPolarHBondContact O-CD 3.46Å; A884-R888 WeakPolarHBondContact O-CG 3.28Å; A884-R888 PolarHBondContact O-N 3.37Å; D885-R888 WeakPolarHBondContact OD1-CD 3.23Å; D885-R888 IonicContact OD1-CZ 3.56Å; D885-R888 IonicContact OD1-NE 2.85Å; D885-R888 IonicContact OD1-NH1 3.85Å; D885-R888 PolarHBondContact OD1-NH1 3.36Å; R888-A891 PolarHBondContact O-N 2.86Å; R888-C892 WeakPolarHBondContact O-CB 3.46Å; R888-C892 PolarHBondContact O-N 3.07Å; R888-E925 IonicContact CZ-OE2 3.62Å; R888-E925 IonicContact NH1-OE2 2.74Å; R888-E925 PolarHBondContact NH1-OE2 2.92Å; R888-E925 VanDerWaalsContact NH1-OE2 3.12Å; R888-E925 IonicContact NH2-OE2 2.69Å; R888-E925 PolarHBondContact NH2-OE2 2.89Å; R888-F938 HydrophobicContact CB-CD2 3.79Å; R888-F938 HydrophobicContact CB-CE2 3.9Å; R888-F938 HydrophobicContact CB-CG 4.39Å |
| 889 | T | 90.1 | Very high | 85.9 | Confident | 11 Ų | 11 | 23.8 Ų | 23.8 | 7% | 0.067 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -60.2 | -49.3 | 175.8 | -68 | 0 | 0 | 0 | 0 | 111.4 | D885 S886 V887 R893 E934 E937 F938 Y941 | D885-T889 VanDerWaalsContact O-CB 3.25Å; D885-T889 WeakPolarHBondContact O-CB 3.24Å; D885-T889 PolarHBondContact O-N 3.36Å; D885-T889 PolarHBondContact O-OG1 3.13Å; S886-T889 WeakPolarHBondContact O-CB 3.47Å; S886-T889 PolarHBondContact O-N 2.67Å; V887-T889 VanDerWaalsContact C-N 3.29Å; V887-T889 PolarHBondContact O-N 2.73Å; T889-R893 VanDerWaalsContact O-CB 3.3Å; T889-R893 WeakPolarHBondContact O-CB 3.35Å; T889-R893 PolarHBondContact O-N 2.89Å; T889-E934 PolarHBondContact OG1-O 3.24Å; T889-E937 HydrophobicContact CG2-CB 3.83Å; T889-F938 WeakPolarHBondContact OG1-CA 3.47Å; T889-F938 WeakPolarHBondContact OG1-CB 3.17Å; T889-F938 PolarHBondContact OG1-N 3.24Å; T889-Y941 HydrophobicContact CG2-CD2 3.99Å; T889-Y941 HydrophobicContact CG2-CE2 4.25Å |
| 890 | L | 90.3 | Very high | 86.6 | Confident | 35 Ų | 35 | 18.5 Ų | 18.5 | 18% | 0.183 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -66.8 | -41.2 | 178.1 | -63 | 172.1 | 0 | 0 | 0 | 111.5 | K713 L716 C720 S886 V887 R893 G894 | K713-L890 HydrophobicContact CB-CD1 4.43Å; K713-L890 HydrophobicContact CG-CD1 4.5Å; L716-L890 HydrophobicContact CB-CB 3.73Å; L716-L890 HydrophobicContact CB-CD1 4.04Å; L716-L890 HydrophobicContact CD1-CB 4.33Å; C720-L890 PolarHBondContact SG-O 2.78Å; S886-L890 PolarHBondContact O-N 3.02Å; V887-L890 PolarHBondContact O-N 2.94Å; L890-R893 PolarHBondContact O-N 3.43Å; L890-G894 PolarHBondContact O-N 3.36Å |
| 891 | A | 91.8 | Very high | 86.9 | Confident | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -59.5 | -49.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | L716 L871 H874 V887 R888 R893 G894 L895 | L716-A891 HydrophobicContact CD2-CB 4.36Å; L871-A891 HydrophobicContact CD2-CB 4.5Å; H874-A891 HydrophobicContact CB-CB 3.95Å; V887-A891 WeakPolarHBondContact O-CB 3.41Å; V887-A891 PolarHBondContact O-N 3.24Å; R888-A891 PolarHBondContact O-N 2.86Å; A891-R893 VanDerWaalsContact C-N 3.35Å; A891-R893 PolarHBondContact O-N 2.83Å; A891-G894 PolarHBondContact O-N 3.42Å; A891-L895 WeakPolarHBondContact O-CG 3.45Å; A891-L895 PolarHBondContact O-N 3.18Å |
| 892 | C | 91.4 | Very high | 87 | Confident | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -59.6 | -42.5 | 174 | -105.9 | 0 | 0 | 0 | 0 | 112.2 | R888 G894 L895 V896 F938 | R888-C892 WeakPolarHBondContact O-CB 3.46Å; R888-C892 PolarHBondContact O-N 3.07Å; C892-G894 PolarHBondContact O-N 3.02Å; C892-L895 PolarHBondContact O-N 3.32Å; C892-V896 VanDerWaalsContact O-CG2 3.31Å; C892-V896 WeakPolarHBondContact O-CG2 3.17Å; C892-V896 PolarHBondContact O-N 3.35Å; C892-F938 HydrophobicContact CB-CD2 4.46Å |
| 893 | R | 89.6 | Confident | 87 | Confident | 20 Ų | 20 | 17 Ų | 17 | 8% | 0.075 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -61.6 | -41.7 | 177.3 | 179 | 179.7 | 179 | 155.9 | 4 | 112.1 | S465 C720 Y724 T889 L890 A891 V896 G897 Y941 | S465-R893 PolarHBondContact OG-NH1 2.95Å; S465-R893 PolarHBondContact OG-NH2 3.43Å; C720-R893 HydrophobicContact CB-CG 4.36Å; Y724-R893 HydrophobicContact CD2-CG 3.96Å; Y724-R893 WeakPolarHBondContact CD2-O 3.28Å; Y724-R893 HydrophobicContact CE2-CG 4.15Å; Y724-R893 HydrophobicContact CG-CG 4.36Å; T889-R893 VanDerWaalsContact O-CB 3.3Å; T889-R893 WeakPolarHBondContact O-CB 3.35Å; T889-R893 PolarHBondContact O-N 2.89Å; L890-R893 PolarHBondContact O-N 3.43Å; A891-R893 VanDerWaalsContact C-N 3.35Å; A891-R893 PolarHBondContact O-N 2.83Å; R893-V896 PolarHBondContact O-N 3.16Å; R893-G897 PolarHBondContact O-N 3.14Å; R893-Y941 HydrophobicContact CB-CD1 3.99Å; R893-Y941 HydrophobicContact CB-CD2 4.36Å; R893-Y941 HydrophobicContact CB-CE1 3.97Å; R893-Y941 HydrophobicContact CB-CE2 4.33Å; R893-Y941 HydrophobicContact CB-CG 4.19Å; R893-Y941 HydrophobicContact CG-CD1 4.21Å; R893-Y941 HydrophobicContact CG-CE1 3.71Å; R893-Y941 HydrophobicContact CG-CE2 4.46Å; R893-Y941 PolarHBondContact NH1-OH 3.5Å |
| 894 | G | 89.8 | Confident | 87.1 | Confident | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -59.1 | -48 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112 | V723 L890 A891 C892 V896 G897 L898 | V723-G894 WeakPolarHBondContact CG2-O 3.36Å; L890-G894 PolarHBondContact O-N 3.36Å; A891-G894 PolarHBondContact O-N 3.42Å; C892-G894 PolarHBondContact O-N 3.02Å; G894-V896 PolarHBondContact O-N 2.69Å; G894-G897 PolarHBondContact O-N 3.47Å; G894-G897 VanDerWaalsContact O-N 3.17Å; G894-L898 PolarHBondContact O-N 3.48Å |
| 895 | L | 90.6 | Very high | 87.2 | Confident | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -62.2 | -38.1 | 176.1 | -67.6 | 174.2 | 0 | 0 | 0 | 112.8 | L871 L872 L875 A891 C892 G897 L898 A899 L945 | L871-L895 HydrophobicContact CB-CD2 3.72Å; L871-L895 HydrophobicContact CB-CG 3.91Å; L871-L895 HydrophobicContact CD1-CD2 4.13Å; L871-L895 HydrophobicContact CD1-CG 4.43Å; L872-L895 HydrophobicContact CD2-CD1 4.21Å; L875-L895 HydrophobicContact CD2-CD1 4.01Å; A891-L895 WeakPolarHBondContact O-CG 3.45Å; A891-L895 PolarHBondContact O-N 3.18Å; C892-L895 PolarHBondContact O-N 3.32Å; L895-G897 VanDerWaalsContact C-N 3.33Å; L895-G897 PolarHBondContact O-N 3.34Å; L895-L898 PolarHBondContact O-N 2.71Å; L895-A899 WeakPolarHBondContact O-CB 3.35Å; L895-A899 PolarHBondContact O-N 3.07Å; L895-L945 HydrophobicContact CB-CD1 4.07Å; L895-L945 HydrophobicContact CB-CD2 3.78Å; L895-L945 HydrophobicContact CD1-CD2 4.18Å |
| 896 | V | 88.5 | Confident | 87 | Confident | 1 Ų | 1 | 18.4 Ų | 18.4 | 1% | 0.006 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -62.5 | -40.5 | 174.4 | 172.3 | 0 | 0 | 0 | 0 | 111 | Y724 C892 R893 G894 Y941 M944 L945 L948 | Y724-V896 HydrophobicContact CE2-CB 4.06Å; Y724-V896 HydrophobicContact CE2-CG1 3.63Å; C892-V896 VanDerWaalsContact O-CG2 3.31Å; C892-V896 WeakPolarHBondContact O-CG2 3.17Å; C892-V896 PolarHBondContact O-N 3.35Å; R893-V896 PolarHBondContact O-N 3.16Å; G894-V896 PolarHBondContact O-N 2.69Å; V896-Y941 HydrophobicContact CG2-CD1 4.41Å; V896-Y941 WeakPolarHBondContact CG2-O 3.27Å; V896-M944 HydrophobicContact CG1-CE 4.16Å; V896-M944 HydrophobicContact CG2-CB 4.45Å; V896-L945 HydrophobicContact CG2-CB 3.66Å; V896-L945 HydrophobicContact CG2-CD1 3.94Å; V896-L945 HydrophobicContact CG2-CG 4.29Å; V896-L948 HydrophobicContact CB-CD1 4.47Å; V896-L948 HydrophobicContact CG1-CD1 3.72Å |
| 897 | G | 85.6 | Confident | 86.8 | Confident | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -64.5 | -44.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | W859 R893 G894 L895 R900 | W859-G897 PolarHBondContact NE1-O 2.92Å; R893-G897 PolarHBondContact O-N 3.14Å; G894-G897 PolarHBondContact O-N 3.47Å; G894-G897 VanDerWaalsContact O-N 3.17Å; L895-G897 VanDerWaalsContact C-N 3.33Å; L895-G897 PolarHBondContact O-N 3.34Å; G897-R900 WeakPolarHBondContact O-CB 3.37Å |
| 898 | L | 87.6 | Confident | 86.6 | Confident | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -70.7 | -36.1 | 176.8 | -69.3 | 173.1 | 0 | 0 | 0 | 113 | V723 W859 V862 I868 L871 G894 L895 R900 S901 V904 | V723-L898 HydrophobicContact CB-CD2 4.14Å; V723-L898 HydrophobicContact CB-CG 4.16Å; V723-L898 HydrophobicContact CG1-CD2 3.61Å; V723-L898 HydrophobicContact CG1-CG 3.91Å; V723-L898 HydrophobicContact CG2-CG 4.43Å; W859-L898 HydrophobicContact CB-CD2 4.15Å; W859-L898 HydrophobicContact CG-CD2 4.23Å; V862-L898 HydrophobicContact CG1-CD1 4.31Å; V862-L898 HydrophobicContact CG1-CD2 4.35Å; I868-L898 HydrophobicContact CG1-CD1 4.1Å; L871-L898 HydrophobicContact CD1-CD1 3.57Å; G894-L898 PolarHBondContact O-N 3.48Å; L895-L898 PolarHBondContact O-N 2.71Å; L898-R900 PolarHBondContact O-N 3.37Å; L898-S901 WeakPolarHBondContact O-CB 3.22Å; L898-S901 PolarHBondContact O-N 3.33Å; L898-V904 HydrophobicContact CB-CG1 4.04Å |
| 899 | A | 86.7 | Confident | 86.3 | Confident | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | 3.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | L895 S901 R905 L908 L945 L948 V949 | L895-A899 WeakPolarHBondContact O-CB 3.35Å; L895-A899 PolarHBondContact O-N 3.07Å; A899-S901 CarbonylContact C-O 3.56Å; A899-R905 PolarHBondContact O-NE 2.76Å; A899-R905 PolarHBondContact O-NH2 3.27Å; A899-L908 HydrophobicContact CB-CD1 3.9Å; A899-L945 HydrophobicContact CB-CD1 3.79Å; A899-L948 HydrophobicContact CB-CD1 4.3Å; A899-V949 HydrophobicContact CB-CG2 4.45Å |
| 900 | R | 81 | Confident | 86 | Confident | 10 Ų | 10 | 22 Ų | 22 | 4% | 0.038 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -22.3 | 168.9 | -70.9 | 169.3 | 71.9 | -138.7 | 6.1 | 112.2 | R725 E731 I737 W859 G897 L898 R905 | R725-R900 PolarHBondContact O-NH1 2.68Å; R725-R900 PolarHBondContact O-NH2 3.43Å; E731-R900 IonicContact OE2-CZ 3.11Å; E731-R900 IonicContact OE2-NH2 3.07Å; E731-R900 PolarHBondContact OE2-NH2 2.8Å; I737-R900 HydrophobicContact CD1-CB 3.75Å; I737-R900 HydrophobicContact CD1-CG 4.01Å; W859-R900 HydrophobicContact CH2-CB 3.7Å; W859-R900 HydrophobicContact CZ2-CB 3.6Å; G897-R900 WeakPolarHBondContact O-CB 3.37Å; L898-R900 PolarHBondContact O-N 3.37Å; R900-R905 PolarHBondContact O-NH2 2.97Å |
| 901 | S | 82.1 | Confident | 85.7 | Confident | 11 Ų | 11 | 20.8 Ų | 20.8 | 8% | 0.077 | 11% | 0.108 | C | C | . | . | S | Bend | trans | -64.1 | 139.5 | 156.3 | 151.4 | 0 | 0 | 0 | 0 | 110.4 | L898 A899 E903 V904 R905 | L898-S901 WeakPolarHBondContact O-CB 3.22Å; L898-S901 PolarHBondContact O-N 3.33Å; A899-S901 CarbonylContact C-O 3.56Å; S901-E903 WeakPolarHBondContact OG-CB 3.46Å; S901-E903 PolarHBondContact OG-N 2.84Å; S901-E903 PolarHBondContact OG-OE2 3.04Å; S901-V904 PolarHBondContact OG-N 3.2Å; S901-R905 VanDerWaalsContact O-CB 3.28Å; S901-R905 WeakPolarHBondContact O-CB 3.4Å; S901-R905 PolarHBondContact O-N 3.47Å; S901-R905 PolarHBondContact O-NH2 2.81Å |
| 902 | E | 78.9 | Confident | 85 | Confident | 80 Ų | 80 | 21.7 Ų | 21.7 | 37% | 0.374 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -72.9 | -33.9 | 175.4 | -172.8 | 178 | 132.4 | 0 | 0 | 111.4 | S906 | E902-S906 VanDerWaalsContact O-CB 3.22Å; E902-S906 WeakPolarHBondContact O-CB 3.33Å; E902-S906 PolarHBondContact O-N 3.04Å |
| 903 | E | 81.4 | Confident | 84.4 | Confident | 108 Ų | 108 | 22.2 Ų | 22.2 | 51% | 0.505 | 12% | 0.116 | S | C | . | . | H | α-helix | trans | -61.1 | -54 | 176.1 | -55.5 | 72.6 | -162.6 | 0 | 0 | 110.5 | S901 R905 S906 M907 | S901-E903 WeakPolarHBondContact OG-CB 3.46Å; S901-E903 PolarHBondContact OG-N 2.84Å; S901-E903 PolarHBondContact OG-OE2 3.04Å; E903-R905 PolarHBondContact O-N 3.49Å; E903-S906 PolarHBondContact O-N 2.74Å; E903-M907 WeakPolarHBondContact O-CG 3.29Å; E903-M907 PolarHBondContact O-N 2.92Å; E903-M907 VanDerWaalsContact O-N 3.08Å |
| 904 | V | 85.2 | Confident | 83.9 | Confident | 3 Ų | 3 | 22.3 Ų | 22.3 | 2% | 0.018 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -62.5 | -45.5 | 178.4 | 178.9 | 0 | 0 | 0 | 0 | 110.9 | I868 L898 S901 S906 M907 L908 | I868-V904 HydrophobicContact CD1-CG1 4.31Å; I868-V904 HydrophobicContact CD1-CG2 4.13Å; L898-V904 HydrophobicContact CB-CG1 4.04Å; S901-V904 PolarHBondContact OG-N 3.2Å; V904-S906 VanDerWaalsContact C-N 3.29Å; V904-S906 PolarHBondContact O-N 2.95Å; V904-M907 HydrophobicContact CB-CE 4.5Å; V904-M907 HydrophobicContact CG2-CE 4.24Å; V904-M907 PolarHBondContact O-N 2.91Å; V904-M907 VanDerWaalsContact O-N 3.09Å; V904-L908 HydrophobicContact CG1-CD1 3.95Å; V904-L908 HydrophobicContact CG1-CG 4.06Å; V904-L908 WeakPolarHBondContact O-CG 3.33Å; V904-L908 PolarHBondContact O-N 2.88Å |
| 905 | R | 85.4 | Confident | 83 | Confident | 31 Ų | 31 | 25.1 Ų | 25.1 | 12% | 0.117 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -56 | -43.2 | 175.4 | -173.4 | -169.8 | -55.8 | 117.9 | 20.2 | 112.3 | A899 R900 S901 E903 M907 A909 L948 V949 | A899-R905 PolarHBondContact O-NE 2.76Å; A899-R905 PolarHBondContact O-NH2 3.27Å; R900-R905 PolarHBondContact O-NH2 2.97Å; S901-R905 VanDerWaalsContact O-CB 3.28Å; S901-R905 WeakPolarHBondContact O-CB 3.4Å; S901-R905 PolarHBondContact O-N 3.47Å; S901-R905 PolarHBondContact O-NH2 2.81Å; E903-R905 PolarHBondContact O-N 3.49Å; R905-M907 VanDerWaalsContact C-N 3.29Å; R905-M907 PolarHBondContact O-N 3.2Å; R905-A909 VanDerWaalsContact O-CB 3.29Å; R905-A909 WeakPolarHBondContact O-CB 3.46Å; R905-A909 PolarHBondContact O-N 3.45Å; R905-L948 VanDerWaalsContact CD-O 3.23Å; R905-L948 WeakPolarHBondContact CD-O 3.4Å; R905-V949 HydrophobicContact CG-CG2 4.48Å |
| 906 | S | 82.4 | Confident | 82.1 | Confident | 45 Ų | 45 | 30.9 Ų | 30.9 | 32% | 0.315 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -67.6 | -27.4 | 178.8 | -176.1 | 0 | 0 | 0 | 0 | 113.1 | E902 E903 V904 | E902-S906 VanDerWaalsContact O-CB 3.22Å; E902-S906 WeakPolarHBondContact O-CB 3.33Å; E902-S906 PolarHBondContact O-N 3.04Å; E903-S906 PolarHBondContact O-N 2.74Å; V904-S906 VanDerWaalsContact C-N 3.29Å; V904-S906 PolarHBondContact O-N 2.95Å |
| 907 | M | 84.5 | Confident | 81.4 | Confident | 10 Ų | 10 | 32.1 Ų | 32.1 | 5% | 0.049 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -78.9 | -51 | 173.6 | -65.1 | -176 | -59.7 | 0 | 0 | 110.8 | I868 E903 V904 R905 A909 K910 L911 D1430 F1432 W1454 L1461 | I868-M907 HydrophobicContact CD1-CE 4.18Å; E903-M907 WeakPolarHBondContact O-CG 3.29Å; E903-M907 PolarHBondContact O-N 2.92Å; E903-M907 VanDerWaalsContact O-N 3.08Å; V904-M907 HydrophobicContact CB-CE 4.5Å; V904-M907 HydrophobicContact CG2-CE 4.24Å; V904-M907 PolarHBondContact O-N 2.91Å; V904-M907 VanDerWaalsContact O-N 3.09Å; R905-M907 VanDerWaalsContact C-N 3.29Å; R905-M907 PolarHBondContact O-N 3.2Å; M907-A909 PolarHBondContact O-N 2.84Å; M907-K910 WeakPolarHBondContact O-CB 3.46Å; M907-K910 PolarHBondContact O-N 3.29Å; M907-L911 PolarHBondContact O-N 3.4Å; M907-D1430 WeakPolarHBondContact CE-OD2 3.44Å; M907-F1432 HydrophobicContact CB-CZ 4.46Å; M907-F1432 HydrophobicContact SD-CZ 4.36Å; M907-W1454 HydrophobicContact SD-CH2 3.62Å; M907-W1454 HydrophobicContact SD-CZ3 3.82Å; M907-L1461 HydrophobicContact CB-CD2 4.15Å; M907-L1461 HydrophobicContact CG-CB 4.16Å; M907-L1461 HydrophobicContact CG-CD2 4.43Å |
| 908 | L | 86.1 | Confident | 81 | Confident | 2 Ų | 2 | 34.7 Ų | 34.7 | 1% | 0.01 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -54 | -40.7 | 176.3 | -67.5 | -178.6 | 0 | 0 | 0 | 111.8 | A899 V904 K910 L911 F914 L945 V949 | A899-L908 HydrophobicContact CB-CD1 3.9Å; V904-L908 HydrophobicContact CG1-CD1 3.95Å; V904-L908 HydrophobicContact CG1-CG 4.06Å; V904-L908 WeakPolarHBondContact O-CG 3.33Å; V904-L908 PolarHBondContact O-N 2.88Å; L908-K910 PolarHBondContact O-N 3.18Å; L908-L911 HydrophobicContact CD2-CD1 3.81Å; L908-L911 PolarHBondContact O-N 3.01Å; L908-L911 VanDerWaalsContact O-N 3.07Å; L908-F914 HydrophobicContact CB-CD2 4.32Å; L908-F914 HydrophobicContact CB-CE2 3.8Å; L908-F914 HydrophobicContact CB-CZ 4.4Å; L908-F914 HydrophobicContact CD2-CE2 4.29Å; L908-F914 HydrophobicContact CG-CE2 4.46Å; L908-F914 WeakPolarHBondContact O-CD2 3.47Å; L908-L945 HydrophobicContact CD1-CD1 4.21Å; L908-V949 HydrophobicContact CB-CG1 4.25Å; L908-V949 HydrophobicContact CB-CG2 3.96Å; L908-V949 HydrophobicContact CD1-CG2 4.15Å |
| 909 | A | 83.8 | Confident | 80.8 | Confident | 42 Ų | 42 | 34.7 Ų | 34.7 | 35% | 0.347 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -13.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | R905 M907 T915 V949 | R905-A909 VanDerWaalsContact O-CB 3.29Å; R905-A909 WeakPolarHBondContact O-CB 3.46Å; R905-A909 PolarHBondContact O-N 3.45Å; M907-A909 PolarHBondContact O-N 2.84Å; A909-T915 WeakPolarHBondContact O-CG2 3.23Å; A909-V949 HydrophobicContact CB-CG1 3.73Å |
| 910 | K | 84 | Confident | 80.5 | Confident | 64 Ų | 64 | 37 Ų | 37 | 28% | 0.278 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.2 | -19.7 | 179.8 | -62 | -178.6 | 172.7 | -149 | 0 | 113 | M907 L908 T915 L1461 L1462 T1464 | M907-K910 WeakPolarHBondContact O-CB 3.46Å; M907-K910 PolarHBondContact O-N 3.29Å; L908-K910 PolarHBondContact O-N 3.18Å; K910-T915 WeakPolarHBondContact O-CG2 3.36Å; K910-L1461 HydrophobicContact CB-CD2 3.94Å; K910-L1461 HydrophobicContact CB-CG 4.49Å; K910-L1461 HydrophobicContact CD-CB 4.37Å; K910-L1461 HydrophobicContact CD-CD2 4.36Å; K910-L1461 HydrophobicContact CD-CG 4.18Å; K910-L1461 WeakPolarHBondContact CD-O 3.34Å; K910-L1461 VanDerWaalsContact CE-O 3.26Å; K910-L1461 WeakPolarHBondContact CE-O 3.46Å; K910-L1461 PolarHBondContact NZ-O 3.35Å; K910-L1462 WeakPolarHBondContact CD-O 3.36Å; K910-L1462 PolarHBondContact NZ-O 3.08Å; K910-T1464 PolarHBondContact O-OG1 2.95Å |
| 911 | L | 83.5 | Confident | 80.5 | Confident | 10 Ų | 10 | 41.9 Ų | 41.9 | 5% | 0.052 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -64.4 | 156.2 | -179.6 | -66.3 | -173.5 | 0 | 0 | 0 | 112.4 | L872 M907 L908 L913 F914 T915 L1461 T1464 | L872-L911 HydrophobicContact CD1-CD1 3.84Å; L872-L911 HydrophobicContact CD2-CD1 4.31Å; M907-L911 PolarHBondContact O-N 3.4Å; L908-L911 HydrophobicContact CD2-CD1 3.81Å; L908-L911 PolarHBondContact O-N 3.01Å; L908-L911 VanDerWaalsContact O-N 3.07Å; L911-L913 PolarHBondContact O-N 3.4Å; L911-F914 PolarHBondContact O-N 2.91Å; L911-T915 PolarHBondContact O-N 3.32Å; L911-T915 PolarHBondContact O-OG1 3.08Å; L911-L1461 HydrophobicContact CD2-CD2 4.49Å; L911-T1464 HydrophobicContact CD2-CG2 4.26Å |
| 912 | P | 76.7 | Confident | 80.5 | Confident | 18 Ų | 18 | 42.3 Ų | 42.3 | 12% | 0.117 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.6 | -35 | -179.9 | -19.2 | 32.2 | 0 | 0 | 0 | 112.1 | F914 T915 K916 L918 T1464 Q1466 | P912-F914 PolarHBondContact O-N 3.39Å; P912-T915 WeakPolarHBondContact CA-OG1 3.37Å; P912-T915 PolarHBondContact O-N 2.9Å; P912-K916 HydrophobicContact CB-CD 4.14Å; P912-K916 HydrophobicContact CB-CG 4.47Å; P912-K916 WeakPolarHBondContact O-CA 3.49Å; P912-K916 WeakPolarHBondContact O-CB 3.43Å; P912-K916 PolarHBondContact O-N 2.99Å; P912-L918 HydrophobicContact CB-CD1 3.95Å; P912-T1464 HydrophobicContact CG-CG2 4.26Å; P912-Q1466 HydrophobicContact CB-CG 4.06Å; P912-Q1466 HydrophobicContact CG-CG 3.43Å; P912-Q1466 VanDerWaalsContact CG-CG 3.43Å |
| 913 | L | 78.3 | Confident | 80.7 | Confident | 11 Ų | 11 | 40.5 Ų | 40.5 | 6% | 0.058 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -46.4 | -38 | 177.7 | -171.9 | 63.6 | 0 | 0 | 0 | 113.5 | L872 L875 L911 A917 L918 L919 | L872-L913 HydrophobicContact CD2-CD2 3.85Å; L875-L913 HydrophobicContact CD2-CD1 3.79Å; L875-L913 HydrophobicContact CD2-CD2 3.48Å; L875-L913 VanDerWaalsContact CD2-CD2 3.48Å; L875-L913 HydrophobicContact CD2-CG 4.27Å; L911-L913 PolarHBondContact O-N 3.4Å; L913-A917 CarbonylContact O-C 3.41Å; L913-L918 HydrophobicContact CD1-CB 4.48Å; L913-L918 PolarHBondContact O-N 2.85Å; L913-L918 VanDerWaalsContact O-N 3.17Å; L913-L919 HydrophobicContact CD1-CB 3.75Å; L913-L919 HydrophobicContact CD1-CD1 4.46Å; L913-L919 HydrophobicContact CG-CB 4.07Å; L913-L919 PolarHBondContact O-N 3.27Å |
| 914 | F | 79.6 | Confident | 80.6 | Confident | 23 Ų | 23 | 42.2 Ų | 42.2 | 10% | 0.101 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -106.2 | -37.8 | 178.3 | -56.6 | -90.2 | 0 | 0 | 0 | 112.9 | L908 L911 P912 A917 L919 L945 I946 V949 | L908-F914 HydrophobicContact CB-CD2 4.32Å; L908-F914 HydrophobicContact CB-CE2 3.8Å; L908-F914 HydrophobicContact CB-CZ 4.4Å; L908-F914 HydrophobicContact CD2-CE2 4.29Å; L908-F914 HydrophobicContact CG-CE2 4.46Å; L908-F914 WeakPolarHBondContact O-CD2 3.47Å; L911-F914 PolarHBondContact O-N 2.91Å; P912-F914 PolarHBondContact O-N 3.39Å; F914-A917 PolarHBondContact O-N 3.37Å; F914-L919 HydrophobicContact CE1-CD2 4.09Å; F914-L919 HydrophobicContact CZ-CD2 4.4Å; F914-L945 HydrophobicContact CE1-CD2 4.32Å; F914-L945 HydrophobicContact CE1-CG 3.9Å; F914-L945 HydrophobicContact CZ-CD1 4.44Å; F914-L945 HydrophobicContact CZ-CD2 3.76Å; F914-L945 HydrophobicContact CZ-CG 3.67Å; F914-I946 HydrophobicContact CD1-CG1 4.33Å; F914-I946 HydrophobicContact CE1-CG1 4.27Å; F914-V949 HydrophobicContact CB-CG1 4.46Å; F914-V949 HydrophobicContact CD1-CB 4.05Å; F914-V949 HydrophobicContact CD1-CG1 3.82Å; F914-V949 HydrophobicContact CD2-CG1 4.26Å; F914-V949 HydrophobicContact CE1-CB 3.97Å; F914-V949 HydrophobicContact CE1-CG1 4.11Å; F914-V949 HydrophobicContact CE1-CG2 3.98Å; F914-V949 HydrophobicContact CG-CG1 3.91Å; F914-V949 HydrophobicContact CZ-CB 4.45Å; F914-V949 HydrophobicContact CZ-CG1 4.45Å; F914-V949 HydrophobicContact CZ-CG2 4.03Å |
| 915 | T | 71.7 | Confident | 80.2 | Confident | 58 Ų | 58 | 44.5 Ų | 44.5 | 36% | 0.356 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -74.8 | -33.1 | -175.5 | 55.8 | 0 | 0 | 0 | 0 | 113.6 | A909 K910 L911 P912 L964 | A909-T915 WeakPolarHBondContact O-CG2 3.23Å; K910-T915 WeakPolarHBondContact O-CG2 3.36Å; L911-T915 PolarHBondContact O-N 3.32Å; L911-T915 PolarHBondContact O-OG1 3.08Å; P912-T915 WeakPolarHBondContact CA-OG1 3.37Å; P912-T915 PolarHBondContact O-N 2.9Å; T915-L964 HydrophobicContact CG2-CD2 4.47Å |
| 916 | K | 70.7 | Confident | 79.3 | Confident | 121 Ų | 121 | 49.3 Ų | 49.3 | 53% | 0.526 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -94.9 | -1.7 | 168.2 | -59.2 | 179 | -179.3 | 172.3 | 0 | 112.9 | P912 L918 | P912-K916 HydrophobicContact CB-CD 4.14Å; P912-K916 HydrophobicContact CB-CG 4.47Å; P912-K916 WeakPolarHBondContact O-CA 3.49Å; P912-K916 WeakPolarHBondContact O-CB 3.43Å; P912-K916 PolarHBondContact O-N 2.99Å; K916-L918 VanDerWaalsContact C-N 3.31Å; K916-L918 HydrophobicContact CB-CD2 4.28Å; K916-L918 HydrophobicContact CB-CG 4.11Å; K916-L918 PolarHBondContact O-N 3.24Å |
| 917 | A | 74.1 | Confident | 78.9 | Confident | 27 Ų | 27 | 49.5 Ų | 49.5 | 22% | 0.223 | 26% | 0.264 | C | S | . | . | trans | 56.5 | 33.3 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | L913 F914 L919 Q920 L921 | L913-A917 CarbonylContact O-C 3.41Å; F914-A917 PolarHBondContact O-N 3.37Å; A917-L919 PolarHBondContact O-N 2.66Å; A917-Q920 HydrophobicContact CB-CB 4.32Å; A917-Q920 HydrophobicContact CB-CG 4.31Å; A917-Q920 WeakPolarHBondContact O-CA 3.42Å; A917-Q920 WeakPolarHBondContact O-CB 3.39Å; A917-Q920 PolarHBondContact O-N 2.92Å; A917-L921 PolarHBondContact O-N 3.05Å | ||
| 918 | L | 78 | Confident | 78.5 | Confident | 54 Ų | 54 | 52.4 Ų | 52.4 | 28% | 0.283 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -31.9 | 177.7 | -56.6 | 173.2 | 0 | 0 | 0 | 112.4 | P912 L913 K916 Q920 L921 L922 | P912-L918 HydrophobicContact CB-CD1 3.95Å; L913-L918 HydrophobicContact CD1-CB 4.48Å; L913-L918 PolarHBondContact O-N 2.85Å; L913-L918 VanDerWaalsContact O-N 3.17Å; K916-L918 VanDerWaalsContact C-N 3.31Å; K916-L918 HydrophobicContact CB-CD2 4.28Å; K916-L918 HydrophobicContact CB-CG 4.11Å; K916-L918 PolarHBondContact O-N 3.24Å; L918-Q920 PolarHBondContact O-N 3.26Å; L918-L921 WeakPolarHBondContact O-CA 3.35Å; L918-L921 VanDerWaalsContact O-CB 3.3Å; L918-L921 WeakPolarHBondContact O-CB 3.45Å; L918-L921 PolarHBondContact O-N 2.89Å; L918-L922 PolarHBondContact O-N 3.11Å |
| 919 | L | 82 | Confident | 77.8 | Confident | 1 Ų | 1 | 56.5 Ų | 56.5 | 1% | 0.005 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61.1 | -31.9 | 173.8 | -173.3 | 53.8 | 0 | 0 | 0 | 112.5 | L875 L913 F914 A917 L921 M923 F938 A942 L945 I946 | L875-L919 HydrophobicContact CD1-CD1 4.35Å; L875-L919 HydrophobicContact CD2-CD1 4.4Å; L913-L919 HydrophobicContact CD1-CB 3.75Å; L913-L919 HydrophobicContact CD1-CD1 4.46Å; L913-L919 HydrophobicContact CG-CB 4.07Å; L913-L919 PolarHBondContact O-N 3.27Å; F914-L919 HydrophobicContact CE1-CD2 4.09Å; F914-L919 HydrophobicContact CZ-CD2 4.4Å; A917-L919 PolarHBondContact O-N 2.66Å; L919-L921 VanDerWaalsContact C-N 3.29Å; L919-M923 WeakPolarHBondContact O-CG 3.38Å; L919-M923 PolarHBondContact O-N 3.33Å; L919-M923 VanDerWaalsContact O-N 3.13Å; L919-F938 HydrophobicContact CD1-CE2 4.22Å; L919-F938 HydrophobicContact CD1-CZ 4.06Å; L919-A942 HydrophobicContact CD1-CB 3.83Å; L919-A942 HydrophobicContact CD2-CB 4.08Å; L919-A942 HydrophobicContact CG-CB 3.95Å; L919-L945 HydrophobicContact CD2-CD2 4.18Å; L919-I946 HydrophobicContact CD2-CD1 4.16Å; L919-I946 HydrophobicContact CD2-CG1 3.98Å; L919-I946 HydrophobicContact CG-CD1 4.34Å |
| 920 | Q | 80.7 | Confident | 77.3 | Confident | 49 Ų | 49 | 61.3 Ų | 61.3 | 23% | 0.229 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -81.2 | -6.5 | 173.8 | -58.5 | -176.2 | 1.3 | 0 | 0 | 113.4 | A917 L918 K924 I946 | A917-Q920 HydrophobicContact CB-CB 4.32Å; A917-Q920 HydrophobicContact CB-CG 4.31Å; A917-Q920 WeakPolarHBondContact O-CA 3.42Å; A917-Q920 WeakPolarHBondContact O-CB 3.39Å; A917-Q920 PolarHBondContact O-N 2.92Å; L918-Q920 PolarHBondContact O-N 3.26Å; Q920-K924 VanDerWaalsContact O-CD 3.31Å; Q920-K924 WeakPolarHBondContact O-CD 3.48Å; Q920-K924 WeakPolarHBondContact O-CE 3.35Å; Q920-K924 WeakPolarHBondContact O-CG 3.43Å; Q920-I946 HydrophobicContact CG-CD1 3.89Å |
| 921 | L | 81.6 | Confident | 77 | Confident | 111 Ų | 111 | 62.2 Ų | 62.2 | 58% | 0.581 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -89.3 | -42.7 | 169.1 | -173.3 | 65.1 | 0 | 0 | 0 | 110.2 | A917 L918 L919 M923 K924 E925 | A917-L921 PolarHBondContact O-N 3.05Å; L918-L921 WeakPolarHBondContact O-CA 3.35Å; L918-L921 VanDerWaalsContact O-CB 3.3Å; L918-L921 WeakPolarHBondContact O-CB 3.45Å; L918-L921 PolarHBondContact O-N 2.89Å; L919-L921 VanDerWaalsContact C-N 3.29Å; L921-M923 VanDerWaalsContact C-N 3.32Å; L921-M923 PolarHBondContact O-N 3.44Å; L921-K924 CarbonylContact O-C 3.45Å; L921-K924 WeakPolarHBondContact O-CA 3.14Å; L921-K924 WeakPolarHBondContact O-CB 3.47Å; L921-K924 PolarHBondContact O-N 3.22Å; L921-E925 PolarHBondContact O-N 3.45Å |
| 922 | L | 81.6 | Confident | 76.8 | Confident | 20 Ų | 20 | 66.6 Ų | 66.6 | 11% | 0.105 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -58.4 | -41.9 | 171.3 | -65.8 | 172.5 | 0 | 0 | 0 | 111.6 | L875 L918 K924 E925 F938 | L875-L922 HydrophobicContact CG-CD1 4.24Å; L918-L922 PolarHBondContact O-N 3.11Å; L922-K924 PolarHBondContact O-N 2.9Å; L922-E925 PolarHBondContact O-N 3.4Å; L922-F938 HydrophobicContact CB-CE1 4.24Å; L922-F938 HydrophobicContact CB-CZ 3.94Å |
| 923 | M | 83.1 | Confident | 77 | Confident | 43 Ų | 43 | 70.7 Ų | 70.7 | 21% | 0.212 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | 11.9 | 170.7 | -66 | 170.7 | 67 | 0 | 0 | 114.9 | L919 L921 F938 C939 A942 I946 | L919-M923 WeakPolarHBondContact O-CG 3.38Å; L919-M923 PolarHBondContact O-N 3.33Å; L919-M923 VanDerWaalsContact O-N 3.13Å; L921-M923 VanDerWaalsContact C-N 3.32Å; L921-M923 PolarHBondContact O-N 3.44Å; M923-F938 HydrophobicContact CG-CE1 4Å; M923-F938 HydrophobicContact CG-CZ 4.38Å; M923-C939 HydrophobicContact CE-CB 4.04Å; M923-A942 HydrophobicContact CE-CB 4.5Å; M923-A942 HydrophobicContact CG-CB 3.99Å; M923-A942 HydrophobicContact SD-CB 3.53Å; M923-A942 VanDerWaalsContact SD-CB 3.53Å; M923-I946 HydrophobicContact SD-CD1 4.38Å |
| 924 | K | 79.2 | Confident | 77.2 | Confident | 143 Ų | 143 | 72.1 Ų | 72.1 | 62% | 0.622 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -137.1 | 5.6 | 176.6 | -62.8 | 176.2 | -174.2 | 172.4 | 0 | 113 | Q920 L921 L922 | Q920-K924 VanDerWaalsContact O-CD 3.31Å; Q920-K924 WeakPolarHBondContact O-CD 3.48Å; Q920-K924 WeakPolarHBondContact O-CE 3.35Å; Q920-K924 WeakPolarHBondContact O-CG 3.43Å; L921-K924 CarbonylContact O-C 3.45Å; L921-K924 WeakPolarHBondContact O-CA 3.14Å; L921-K924 WeakPolarHBondContact O-CB 3.47Å; L921-K924 PolarHBondContact O-N 3.22Å; L922-K924 PolarHBondContact O-N 2.9Å |
| 925 | E | 76.1 | Confident | 77.4 | Confident | 51 Ų | 51 | 72.1 Ų | 72.1 | 24% | 0.238 | 38% | 0.382 | C | S | . | . | S | Bend | trans | -64.6 | 153.3 | 171 | -74.4 | -170.6 | 156.4 | 0 | 0 | 110.5 | K878 R888 L921 L922 V927 | K878-E925 IonicContact NZ-OE1 3.86Å; R888-E925 IonicContact CZ-OE2 3.62Å; R888-E925 IonicContact NH1-OE2 2.74Å; R888-E925 PolarHBondContact NH1-OE2 2.92Å; R888-E925 VanDerWaalsContact NH1-OE2 3.12Å; R888-E925 IonicContact NH2-OE2 2.69Å; R888-E925 PolarHBondContact NH2-OE2 2.89Å; L921-E925 PolarHBondContact O-N 3.45Å; L922-E925 PolarHBondContact O-N 3.4Å; E925-V927 WeakPolarHBondContact O-CG2 3.39Å |
| 926 | P | 67.8 | Low | 78 | Confident | 133 Ų | 133 | 72.2 Ų | 72.2 | 86% | 0.864 | 39% | 0.389 | S | S | * | . | trans | -64.7 | 140.2 | 176.2 | 27.8 | -34.9 | 0 | 0 | 0 | 111.2 | ||||
| 927 | V | 73.2 | Confident | 78.7 | Confident | 49 Ų | 49 | 70.1 Ų | 70.1 | 30% | 0.297 | 38% | 0.381 | S | S | . | . | trans | -117.4 | 141.1 | -171.2 | -166.2 | 0 | 0 | 0 | 0 | 110 | E925 L932 H935 | E925-V927 WeakPolarHBondContact O-CG2 3.39Å; V927-L932 HydrophobicContact CB-CD2 4.26Å; V927-L932 HydrophobicContact CG1-CD2 4.06Å; V927-H935 HydrophobicContact CG1-CB 3.62Å; V927-H935 HydrophobicContact CG2-CB 4.4Å; V927-H935 VanDerWaalsContact CG2-CE1 3.45Å; V927-H935 WeakPolarHBondContact CG2-CE1 3.32Å; V927-H935 WeakPolarHBondContact CG2-ND1 3.31Å | ||
| 928 | L | 77.3 | Confident | 79.4 | Confident | 70 Ų | 70 | 68.9 Ų | 68.9 | 37% | 0.366 | 37% | 0.37 | S | S | . | . | trans | -66.6 | 135.8 | 170.5 | -68.9 | 171.3 | 0 | 0 | 0 | 110.3 | I881 D930 R931 | I881-L928 HydrophobicContact CG2-CD1 4.02Å; I881-L928 HydrophobicContact CG2-CG 4.27Å; L928-D930 PolarHBondContact O-N 2.85Å; L928-R931 HydrophobicContact CB-CB 4.38Å; L928-R931 HydrophobicContact CB-CG 4.49Å; L928-R931 PolarHBondContact O-N 3.43Å; L928-R931 VanDerWaalsContact O-N 3.14Å | ||
| 929 | P | 69.6 | Low | 79.8 | Confident | 89 Ų | 89 | 67.6 Ų | 67.6 | 58% | 0.578 | 37% | 0.366 | S | S | * | . | G | 310 helix | trans | -61.2 | -31.1 | -174.5 | 25.2 | -34.1 | 0 | 0 | 0 | 112.9 | L932 | P929-L932 VanDerWaalsContact O-CD1 3.28Å; P929-L932 WeakPolarHBondContact O-CD1 3.17Å; P929-L932 VanDerWaalsContact O-CG 3.26Å; P929-L932 WeakPolarHBondContact O-CG 3.14Å |
| 930 | D | 73.3 | Confident | 79.9 | Confident | 142 Ų | 142 | 71.7 Ų | 71.7 | 76% | 0.759 | 38% | 0.381 | S | S | * | . | G | 310 helix | trans | -80.8 | -17.7 | -176.4 | -43.2 | -59.1 | 0 | 0 | 0 | 112.6 | L928 | L928-D930 PolarHBondContact O-N 2.85Š|
| 931 | R | 78.7 | Confident | 80.2 | Confident | 83 Ų | 83 | 69.5 Ų | 69.5 | 31% | 0.313 | 37% | 0.371 | S | S | . | . | G | 310 helix | trans | -104.1 | 13.5 | -178.8 | -65.4 | -61.3 | -159.2 | -159.1 | -9.5 | 113.9 | S882 E883 L928 T933 E934 H935 | S882-R931 PolarHBondContact O-NE 3.05Å; E883-R931 IonicContact OE1-CZ 3.43Å; E883-R931 IonicContact OE1-NE 3.58Å; E883-R931 IonicContact OE1-NH2 3.43Å; E883-R931 PolarHBondContact OE1-NH2 3.33Å; L928-R931 HydrophobicContact CB-CB 4.38Å; L928-R931 HydrophobicContact CB-CG 4.49Å; L928-R931 PolarHBondContact O-N 3.43Å; L928-R931 VanDerWaalsContact O-N 3.14Å; R931-T933 PolarHBondContact O-N 3.28Å; R931-T933 VanDerWaalsContact O-N 3.14Å; R931-E934 VanDerWaalsContact CD-OE1 3.24Å; R931-E934 WeakPolarHBondContact CD-OE1 3.34Å; R931-E934 WeakPolarHBondContact CD-OE2 3.37Å; R931-E934 IonicContact CZ-OE1 2.73Å; R931-E934 IonicContact NE-OE1 2.81Å; R931-E934 IonicContact NE-OE2 2.67Å; R931-E934 IonicContact NH1-OE1 3.69Å; R931-E934 PolarHBondContact NH1-OE1 3.15Å; R931-E934 PolarHBondContact O-N 2.93Å; R931-E934 VanDerWaalsContact O-N 3.16Å; R931-H935 PolarHBondContact O-N 3.18Å; R931-H935 VanDerWaalsContact O-N 3.14Å |
| 932 | L | 80.2 | Confident | 80.5 | Confident | 103 Ų | 103 | 64.2 Ų | 64.2 | 54% | 0.539 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -59 | -26.2 | -177.3 | -74 | 172 | 0 | 0 | 0 | 114.6 | V927 P929 A936 | V927-L932 HydrophobicContact CB-CD2 4.26Å; V927-L932 HydrophobicContact CG1-CD2 4.06Å; P929-L932 VanDerWaalsContact O-CD1 3.28Å; P929-L932 WeakPolarHBondContact O-CD1 3.17Å; P929-L932 VanDerWaalsContact O-CG 3.26Å; P929-L932 WeakPolarHBondContact O-CG 3.14Å; L932-A936 WeakPolarHBondContact O-CB 3.39Å; L932-A936 PolarHBondContact O-N 3.23Å; L932-A936 VanDerWaalsContact O-N 3.15Å |
| 933 | T | 80.1 | Confident | 80.6 | Confident | 103 Ų | 103 | 65 Ų | 65 | 63% | 0.632 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -68 | -47.1 | 175.6 | 43.1 | 0 | 0 | 0 | 0 | 112 | R931 A936 E937 | R931-T933 PolarHBondContact O-N 3.28Å; R931-T933 VanDerWaalsContact O-N 3.14Å; T933-A936 WeakPolarHBondContact O-CB 3.22Å; T933-A936 PolarHBondContact O-N 2.89Å; T933-E937 PolarHBondContact O-N 2.94Å; T933-E937 VanDerWaalsContact O-N 3.09Å |
| 934 | E | 81.4 | Confident | 80.7 | Confident | 41 Ų | 41 | 64.1 Ų | 64.1 | 19% | 0.192 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -66.3 | -41.1 | 177.9 | -66.4 | 163.6 | -147.1 | 0 | 0 | 110.9 | S886 T889 R931 A936 E937 F938 | S886-E934 WeakPolarHBondContact CB-OE2 3.41Å; T889-E934 PolarHBondContact OG1-O 3.24Å; R931-E934 VanDerWaalsContact CD-OE1 3.24Å; R931-E934 WeakPolarHBondContact CD-OE1 3.34Å; R931-E934 WeakPolarHBondContact CD-OE2 3.37Å; R931-E934 IonicContact CZ-OE1 2.73Å; R931-E934 IonicContact NE-OE1 2.81Å; R931-E934 IonicContact NE-OE2 2.67Å; R931-E934 IonicContact NH1-OE1 3.69Å; R931-E934 PolarHBondContact NH1-OE1 3.15Å; R931-E934 PolarHBondContact O-N 2.93Å; R931-E934 VanDerWaalsContact O-N 3.16Å; E934-A936 VanDerWaalsContact C-N 3.26Å; E934-A936 PolarHBondContact O-N 2.98Å; E934-E937 WeakPolarHBondContact O-CB 3.41Å; E934-E937 PolarHBondContact O-N 3.34Å; E934-E937 VanDerWaalsContact O-N 3.12Å; E934-F938 PolarHBondContact O-N 3.35Å |
| 935 | H | 85 | Confident | 81 | Confident | 24 Ų | 24 | 57.3 Ų | 57.3 | 11% | 0.111 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -60.8 | -35.2 | 173 | -170.7 | 86.4 | 0 | 0 | 0 | 112.8 | D885 V927 R931 F938 C939 | D885-H935 IonicContact OD2-CE1 2.98Å; D885-H935 IonicContact OD2-CG 3.94Å; D885-H935 IonicContact OD2-ND1 2.8Å; D885-H935 PolarHBondContact OD2-ND1 3.22Å; V927-H935 HydrophobicContact CG1-CB 3.62Å; V927-H935 HydrophobicContact CG2-CB 4.4Å; V927-H935 VanDerWaalsContact CG2-CE1 3.45Å; V927-H935 WeakPolarHBondContact CG2-CE1 3.32Å; V927-H935 WeakPolarHBondContact CG2-ND1 3.31Å; R931-H935 PolarHBondContact O-N 3.18Å; R931-H935 VanDerWaalsContact O-N 3.14Å; H935-F938 PolarHBondContact O-N 3.16Å; H935-C939 PolarHBondContact NE2-SG 3.13Å; H935-C939 VanDerWaalsContact NE2-SG 3.41Å; H935-C939 WeakPolarHBondContact O-CB 3.42Å; H935-C939 PolarHBondContact O-N 2.96Å; H935-C939 PolarHBondContact O-SG 2.82Å |
| 936 | A | 84.5 | Confident | 81.4 | Confident | 59 Ų | 59 | 55.8 Ų | 55.8 | 49% | 0.488 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -69.2 | -35.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L932 T933 E934 R940 | L932-A936 WeakPolarHBondContact O-CB 3.39Å; L932-A936 PolarHBondContact O-N 3.23Å; L932-A936 VanDerWaalsContact O-N 3.15Å; T933-A936 WeakPolarHBondContact O-CB 3.22Å; T933-A936 PolarHBondContact O-N 2.89Å; E934-A936 VanDerWaalsContact C-N 3.26Å; E934-A936 PolarHBondContact O-N 2.98Å; A936-R940 WeakPolarHBondContact O-CB 3.4Å; A936-R940 PolarHBondContact O-N 3.23Å |
| 937 | E | 84.8 | Confident | 82 | Confident | 78 Ų | 78 | 53.9 Ų | 53.9 | 36% | 0.364 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -64.8 | -46.4 | 170.2 | -80.3 | -98.7 | 99.6 | 0 | 0 | 111.6 | T889 T933 E934 C939 R940 Y941 | T889-E937 HydrophobicContact CG2-CB 3.83Å; T933-E937 PolarHBondContact O-N 2.94Å; T933-E937 VanDerWaalsContact O-N 3.09Å; E934-E937 WeakPolarHBondContact O-CB 3.41Å; E934-E937 PolarHBondContact O-N 3.34Å; E934-E937 VanDerWaalsContact O-N 3.12Å; E937-C939 PolarHBondContact O-N 2.69Å; E937-R940 WeakPolarHBondContact O-CB 3.35Å; E937-R940 PolarHBondContact O-N 2.78Å; E937-R940 VanDerWaalsContact O-N 3.13Å; E937-R940 IonicContact OE1-CZ 2.75Å; E937-R940 IonicContact OE1-NE 3.49Å; E937-R940 PolarHBondContact OE1-NE 3.34Å; E937-R940 VanDerWaalsContact OE1-NE 3.11Å; E937-R940 IonicContact OE1-NH2 2.88Å; E937-R940 PolarHBondContact OE1-NH2 3.22Å; E937-Y941 WeakPolarHBondContact O-CD2 3.37Å; E937-Y941 PolarHBondContact O-N 3.32Å |
| 938 | F | 88.3 | Confident | 82.2 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -53.8 | -54 | 173 | 169.3 | -121.6 | 0 | 0 | 0 | 111 | L875 R888 T889 C892 L919 L922 M923 E934 H935 R940 Y941 A942 | L875-F938 HydrophobicContact CD1-CE2 3.84Å; R888-F938 HydrophobicContact CB-CD2 3.79Å; R888-F938 HydrophobicContact CB-CE2 3.9Å; R888-F938 HydrophobicContact CB-CG 4.39Å; T889-F938 WeakPolarHBondContact OG1-CA 3.47Å; T889-F938 WeakPolarHBondContact OG1-CB 3.17Å; T889-F938 PolarHBondContact OG1-N 3.24Å; C892-F938 HydrophobicContact CB-CD2 4.46Å; L919-F938 HydrophobicContact CD1-CE2 4.22Å; L919-F938 HydrophobicContact CD1-CZ 4.06Å; L922-F938 HydrophobicContact CB-CE1 4.24Å; L922-F938 HydrophobicContact CB-CZ 3.94Å; M923-F938 HydrophobicContact CG-CE1 4Å; M923-F938 HydrophobicContact CG-CZ 4.38Å; E934-F938 PolarHBondContact O-N 3.35Å; H935-F938 PolarHBondContact O-N 3.16Å; F938-R940 PolarHBondContact O-N 3.1Å; F938-Y941 PolarHBondContact O-N 3.11Å; F938-A942 HydrophobicContact CE2-CB 4.37Å; F938-A942 VanDerWaalsContact O-CB 3.25Å; F938-A942 WeakPolarHBondContact O-CB 3.37Å; F938-A942 PolarHBondContact O-N 3.47Å |
| 939 | C | 86.5 | Confident | 82.3 | Confident | 28 Ų | 28 | 50 Ų | 50 | 19% | 0.189 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -58.5 | -34.5 | 177.8 | -81.2 | 0 | 0 | 0 | 0 | 113.2 | M923 H935 E937 T943 | M923-C939 HydrophobicContact CE-CB 4.04Å; H935-C939 PolarHBondContact NE2-SG 3.13Å; H935-C939 VanDerWaalsContact NE2-SG 3.41Å; H935-C939 WeakPolarHBondContact O-CB 3.42Å; H935-C939 PolarHBondContact O-N 2.96Å; H935-C939 PolarHBondContact O-SG 2.82Å; E937-C939 PolarHBondContact O-N 2.69Å; C939-T943 VanDerWaalsContact O-CB 3.24Å; C939-T943 WeakPolarHBondContact O-CB 3.24Å; C939-T943 PolarHBondContact O-N 3.46Å; C939-T943 PolarHBondContact O-OG1 3.01Å |
| 940 | R | 85.5 | Confident | 82.5 | Confident | 86 Ų | 86 | 48.2 Ų | 48.2 | 33% | 0.325 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -65.9 | -52.5 | 175.6 | -174 | -179.9 | 74.8 | 84.9 | -10.5 | 111.2 | D734 A936 E937 F938 T943 M944 | D734-R940 IonicContact OD2-CZ 3.11Å; D734-R940 IonicContact OD2-NH1 2.79Å; D734-R940 PolarHBondContact OD2-NH1 3.44Å; A936-R940 WeakPolarHBondContact O-CB 3.4Å; A936-R940 PolarHBondContact O-N 3.23Å; E937-R940 WeakPolarHBondContact O-CB 3.35Å; E937-R940 PolarHBondContact O-N 2.78Å; E937-R940 VanDerWaalsContact O-N 3.13Å; E937-R940 IonicContact OE1-CZ 2.75Å; E937-R940 IonicContact OE1-NE 3.49Å; E937-R940 PolarHBondContact OE1-NE 3.34Å; E937-R940 VanDerWaalsContact OE1-NE 3.11Å; E937-R940 IonicContact OE1-NH2 2.88Å; E937-R940 PolarHBondContact OE1-NH2 3.22Å; F938-R940 PolarHBondContact O-N 3.1Å; R940-T943 PolarHBondContact O-N 2.71Å; R940-M944 HydrophobicContact CG-SD 4.16Å; R940-M944 WeakPolarHBondContact O-CG 3.03Å; R940-M944 PolarHBondContact O-N 3.34Å |
| 941 | Y | 87.2 | Confident | 82.2 | Confident | 3 Ų | 3 | 43 Ų | 43 | 1% | 0.012 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -66.5 | -40.3 | 179.2 | -78.1 | -70 | 0 | 0 | 0 | 112.3 | Y724 T889 R893 V896 E937 F938 T943 M944 L945 | Y724-Y941 HydrophobicContact CE2-CE1 4.1Å; Y724-Y941 AromaticContact CZ-CE1 3.91Å; T889-Y941 HydrophobicContact CG2-CD2 3.99Å; T889-Y941 HydrophobicContact CG2-CE2 4.25Å; R893-Y941 HydrophobicContact CB-CD1 3.99Å; R893-Y941 HydrophobicContact CB-CD2 4.36Å; R893-Y941 HydrophobicContact CB-CE1 3.97Å; R893-Y941 HydrophobicContact CB-CE2 4.33Å; R893-Y941 HydrophobicContact CB-CG 4.19Å; R893-Y941 HydrophobicContact CG-CD1 4.21Å; R893-Y941 HydrophobicContact CG-CE1 3.71Å; R893-Y941 HydrophobicContact CG-CE2 4.46Å; R893-Y941 PolarHBondContact NH1-OH 3.5Å; V896-Y941 HydrophobicContact CG2-CD1 4.41Å; V896-Y941 WeakPolarHBondContact CG2-O 3.27Å; E937-Y941 WeakPolarHBondContact O-CD2 3.37Å; E937-Y941 PolarHBondContact O-N 3.32Å; F938-Y941 PolarHBondContact O-N 3.11Å; Y941-T943 PolarHBondContact O-N 3.26Å; Y941-M944 HydrophobicContact CD1-CE 4.22Å; Y941-M944 HydrophobicContact CE1-CE 4.36Å; Y941-M944 WeakPolarHBondContact O-CB 3.49Å; Y941-M944 PolarHBondContact O-N 2.92Å; Y941-L945 WeakPolarHBondContact O-CB 3.41Å; Y941-L945 PolarHBondContact O-N 2.9Å |
| 942 | A | 87.7 | Confident | 80.9 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -60 | -44.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112 | L919 M923 F938 M944 L945 I946 | L919-A942 HydrophobicContact CD1-CB 3.83Å; L919-A942 HydrophobicContact CD2-CB 4.08Å; L919-A942 HydrophobicContact CG-CB 3.95Å; M923-A942 HydrophobicContact CE-CB 4.5Å; M923-A942 HydrophobicContact CG-CB 3.99Å; M923-A942 HydrophobicContact SD-CB 3.53Å; M923-A942 VanDerWaalsContact SD-CB 3.53Å; F938-A942 HydrophobicContact CE2-CB 4.37Å; F938-A942 VanDerWaalsContact O-CB 3.25Å; F938-A942 WeakPolarHBondContact O-CB 3.37Å; F938-A942 PolarHBondContact O-N 3.47Å; A942-M944 VanDerWaalsContact C-N 3.34Å; A942-M944 PolarHBondContact O-N 3.07Å; A942-L945 PolarHBondContact O-N 3.38Å; A942-I946 VanDerWaalsContact O-CG1 3.31Å; A942-I946 WeakPolarHBondContact O-CG1 3.32Å; A942-I946 PolarHBondContact O-N 2.95Å |
| 943 | T | 84 | Confident | 79 | Confident | 36 Ų | 36 | 43 Ų | 43 | 22% | 0.221 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.5 | -40.8 | 174.1 | -62.7 | 0 | 0 | 0 | 0 | 112 | C939 R940 Y941 R947 L958 | C939-T943 VanDerWaalsContact O-CB 3.24Å; C939-T943 WeakPolarHBondContact O-CB 3.24Å; C939-T943 PolarHBondContact O-N 3.46Å; C939-T943 PolarHBondContact O-OG1 3.01Å; R940-T943 PolarHBondContact O-N 2.71Å; Y941-T943 PolarHBondContact O-N 3.26Å; T943-R947 VanDerWaalsContact O-CG 3.29Å; T943-R947 WeakPolarHBondContact O-CG 3.25Å; T943-R947 PolarHBondContact O-N 3.33Å; T943-L958 HydrophobicContact CG2-CD1 4.38Å |
| 944 | M | 83.7 | Confident | 77.1 | Confident | 26 Ų | 26 | 42.5 Ų | 42.5 | 13% | 0.128 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -66.4 | -40.1 | 176 | -73.1 | 165.5 | 47.4 | 0 | 0 | 112.2 | Y724 D734 V896 R940 Y941 A942 R947 L948 | Y724-M944 WeakPolarHBondContact OH-CE 3.31Å; D734-M944 HydrophobicContact CB-CE 3.51Å; D734-M944 HydrophobicContact CB-SD 4.33Å; D734-M944 VanDerWaalsContact CG-CE 3.49Å; V896-M944 HydrophobicContact CG1-CE 4.16Å; V896-M944 HydrophobicContact CG2-CB 4.45Å; R940-M944 HydrophobicContact CG-SD 4.16Å; R940-M944 WeakPolarHBondContact O-CG 3.03Å; R940-M944 PolarHBondContact O-N 3.34Å; Y941-M944 HydrophobicContact CD1-CE 4.22Å; Y941-M944 HydrophobicContact CE1-CE 4.36Å; Y941-M944 WeakPolarHBondContact O-CB 3.49Å; Y941-M944 PolarHBondContact O-N 2.92Å; A942-M944 VanDerWaalsContact C-N 3.34Å; A942-M944 PolarHBondContact O-N 3.07Å; M944-R947 PolarHBondContact O-N 3.33Å; M944-L948 WeakPolarHBondContact O-CG 3.46Å; M944-L948 PolarHBondContact O-N 3.38Å |
| 945 | L | 86.2 | Confident | 75.2 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.4 | -45.3 | 176.1 | -169.1 | 57.5 | 0 | 0 | 0 | 111.1 | L895 V896 A899 L908 F914 L919 Y941 A942 R947 L948 V949 | L895-L945 HydrophobicContact CB-CD1 4.07Å; L895-L945 HydrophobicContact CB-CD2 3.78Å; L895-L945 HydrophobicContact CD1-CD2 4.18Å; V896-L945 HydrophobicContact CG2-CB 3.66Å; V896-L945 HydrophobicContact CG2-CD1 3.94Å; V896-L945 HydrophobicContact CG2-CG 4.29Å; A899-L945 HydrophobicContact CB-CD1 3.79Å; L908-L945 HydrophobicContact CD1-CD1 4.21Å; F914-L945 HydrophobicContact CE1-CD2 4.32Å; F914-L945 HydrophobicContact CE1-CG 3.9Å; F914-L945 HydrophobicContact CZ-CD1 4.44Å; F914-L945 HydrophobicContact CZ-CD2 3.76Å; F914-L945 HydrophobicContact CZ-CG 3.67Å; L919-L945 HydrophobicContact CD2-CD2 4.18Å; Y941-L945 WeakPolarHBondContact O-CB 3.41Å; Y941-L945 PolarHBondContact O-N 2.9Å; A942-L945 PolarHBondContact O-N 3.38Å; L945-R947 PolarHBondContact O-N 3.23Å; L945-L948 PolarHBondContact O-N 3.46Å; L945-V949 HydrophobicContact CD1-CG2 4.24Å; L945-V949 WeakPolarHBondContact O-CB 3.27Å; L945-V949 VanDerWaalsContact O-CG2 3.29Å; L945-V949 WeakPolarHBondContact O-CG2 3.28Å; L945-V949 PolarHBondContact O-N 2.97Å |
| 946 | I | 83.4 | Confident | 73.2 | Confident | 18 Ų | 18 | 48.4 Ų | 48.4 | 9% | 0.092 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -59.9 | -44.4 | 173.6 | -66.8 | 163.5 | 0 | 0 | 0 | 110.8 | F914 L919 Q920 M923 A942 L948 V949 V950 | F914-I946 HydrophobicContact CD1-CG1 4.33Å; F914-I946 HydrophobicContact CE1-CG1 4.27Å; L919-I946 HydrophobicContact CD2-CD1 4.16Å; L919-I946 HydrophobicContact CD2-CG1 3.98Å; L919-I946 HydrophobicContact CG-CD1 4.34Å; Q920-I946 HydrophobicContact CG-CD1 3.89Å; M923-I946 HydrophobicContact SD-CD1 4.38Å; A942-I946 VanDerWaalsContact O-CG1 3.31Å; A942-I946 WeakPolarHBondContact O-CG1 3.32Å; A942-I946 PolarHBondContact O-N 2.95Å; I946-L948 VanDerWaalsContact C-N 3.35Å; I946-L948 PolarHBondContact O-N 2.58Å; I946-V949 PolarHBondContact O-N 2.87Å; I946-V950 HydrophobicContact CG2-CG2 4.15Å; I946-V950 VanDerWaalsContact O-CB 3.31Å; I946-V950 WeakPolarHBondContact O-CB 3.47Å; I946-V950 WeakPolarHBondContact O-CG2 3.23Å; I946-V950 PolarHBondContact O-N 3.03Å |
| 947 | R | 80.4 | Confident | 71.2 | Confident | 94 Ų | 94 | 48 Ų | 48 | 36% | 0.355 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -63.1 | -36 | 176.6 | -73.3 | 171.8 | -176.4 | -122.3 | 0.5 | 113 | T943 M944 L945 G951 D955 | T943-R947 VanDerWaalsContact O-CG 3.29Å; T943-R947 WeakPolarHBondContact O-CG 3.25Å; T943-R947 PolarHBondContact O-N 3.33Å; M944-R947 PolarHBondContact O-N 3.33Å; L945-R947 PolarHBondContact O-N 3.23Å; R947-G951 CarbonylContact O-C 3.54Å; R947-G951 VanDerWaalsContact O-CA 3.23Å; R947-G951 WeakPolarHBondContact O-CA 3.45Å; R947-G951 PolarHBondContact O-N 3.46Å; R947-G951 VanDerWaalsContact O-N 3.12Å; R947-D955 IonicContact CZ-OD1 3.26Å; R947-D955 VanDerWaalsContact CZ-OD1 3.23Å; R947-D955 IonicContact NH1-OD1 3.95Å; R947-D955 PolarHBondContact NH1-OD1 2.87Å; R947-D955 IonicContact NH2-OD1 2.69Å; R947-D955 PolarHBondContact NH2-OD1 3.31Å |
| 948 | L | 79 | Confident | 69.2 | Low | 22 Ų | 22 | 48.3 Ų | 48.3 | 12% | 0.115 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -71.2 | -42 | 175.3 | -77.7 | 172.8 | 0 | 0 | 0 | 112.6 | P736 V896 A899 R905 M944 L945 I946 | P736-L948 HydrophobicContact CB-CD2 3.87Å; V896-L948 HydrophobicContact CB-CD1 4.47Å; V896-L948 HydrophobicContact CG1-CD1 3.72Å; A899-L948 HydrophobicContact CB-CD1 4.3Å; R905-L948 VanDerWaalsContact CD-O 3.23Å; R905-L948 WeakPolarHBondContact CD-O 3.4Å; M944-L948 WeakPolarHBondContact O-CG 3.46Å; M944-L948 PolarHBondContact O-N 3.38Å; L945-L948 PolarHBondContact O-N 3.46Å; I946-L948 VanDerWaalsContact C-N 3.35Å; I946-L948 PolarHBondContact O-N 2.58Å |
| 949 | V | 79.6 | Confident | 67.1 | Low | 15 Ų | 15 | 54.4 Ų | 54.4 | 9% | 0.091 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -83 | -39 | -172.5 | 173.7 | 0 | 0 | 0 | 0 | 112.4 | A899 R905 L908 A909 F914 L945 I946 | A899-V949 HydrophobicContact CB-CG2 4.45Å; R905-V949 HydrophobicContact CG-CG2 4.48Å; L908-V949 HydrophobicContact CB-CG1 4.25Å; L908-V949 HydrophobicContact CB-CG2 3.96Å; L908-V949 HydrophobicContact CD1-CG2 4.15Å; A909-V949 HydrophobicContact CB-CG1 3.73Å; F914-V949 HydrophobicContact CB-CG1 4.46Å; F914-V949 HydrophobicContact CD1-CB 4.05Å; F914-V949 HydrophobicContact CD1-CG1 3.82Å; F914-V949 HydrophobicContact CD2-CG1 4.26Å; F914-V949 HydrophobicContact CE1-CB 3.97Å; F914-V949 HydrophobicContact CE1-CG1 4.11Å; F914-V949 HydrophobicContact CE1-CG2 3.98Å; F914-V949 HydrophobicContact CG-CG1 3.91Å; F914-V949 HydrophobicContact CZ-CB 4.45Å; F914-V949 HydrophobicContact CZ-CG1 4.45Å; F914-V949 HydrophobicContact CZ-CG2 4.03Å; L945-V949 HydrophobicContact CD1-CG2 4.24Å; L945-V949 WeakPolarHBondContact O-CB 3.27Å; L945-V949 VanDerWaalsContact O-CG2 3.29Å; L945-V949 WeakPolarHBondContact O-CG2 3.28Å; L945-V949 PolarHBondContact O-N 2.97Å; I946-V949 PolarHBondContact O-N 2.87Å |
| 950 | V | 74 | Confident | 64.9 | Low | 51 Ų | 51 | 54.4 Ų | 54.4 | 31% | 0.309 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -95.8 | -21.8 | -178.2 | -173.4 | 0 | 0 | 0 | 0 | 112.4 | I946 M962 V967 | I946-V950 HydrophobicContact CG2-CG2 4.15Å; I946-V950 VanDerWaalsContact O-CB 3.31Å; I946-V950 WeakPolarHBondContact O-CB 3.47Å; I946-V950 WeakPolarHBondContact O-CG2 3.23Å; I946-V950 PolarHBondContact O-N 3.03Å; V950-M962 HydrophobicContact CG1-CE 4.25Å; V950-V967 HydrophobicContact CG1-CG1 4.04Å; V950-V967 HydrophobicContact CG1-CG2 4.12Å |
| 951 | G | 66.3 | Low | 62.9 | Low | 32 Ų | 32 | 53.9 Ų | 53.9 | 33% | 0.33 | 34% | 0.338 | S | S | . | . | trans | 95.1 | 176.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | R947 L953 | R947-G951 CarbonylContact O-C 3.54Å; R947-G951 VanDerWaalsContact O-CA 3.23Å; R947-G951 WeakPolarHBondContact O-CA 3.45Å; R947-G951 PolarHBondContact O-N 3.46Å; R947-G951 VanDerWaalsContact O-N 3.12Å; G951-L953 PolarHBondContact O-N 3.37Å | ||
| 952 | T | 51.7 | Low | 61 | Low | 123 Ų | 123 | 55 Ų | 55 | 76% | 0.755 | 34% | 0.344 | S | S | * | . | trans | -78.9 | 88 | -171.8 | 56 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 953 | L | 40 | Very low | 59.4 | Low | 64 Ų | 64 | 57.7 Ų | 57.7 | 34% | 0.335 | 36% | 0.363 | S | S | . | . | trans | -81.7 | 145.9 | 158.3 | -62.5 | 169.9 | 0 | 0 | 0 | 109.3 | G951 M962 V967 | G951-L953 PolarHBondContact O-N 3.37Å; L953-M962 HydrophobicContact CD1-CE 3.45Å; L953-M962 VanDerWaalsContact CD1-CE 3.45Å; L953-M962 HydrophobicContact CD1-SD 3.86Å; L953-V967 HydrophobicContact CD1-CG1 4.47Å; L953-V967 HydrophobicContact CD1-CG2 3.99Å | ||
| 954 | S | 40.7 | Very low | 58 | Low | 93 Ų | 93 | 59 Ų | 59 | 65% | 0.65 | 37% | 0.368 | S | S | * | . | trans | -68.1 | 145.5 | -177.3 | 46.6 | 0 | 0 | 0 | 0 | 112.2 | G956 V957 | S954-G956 PolarHBondContact O-N 3.36Å; S954-V957 PolarHBondContact O-N 3.09Å | ||
| 955 | D | 40.2 | Very low | 56.8 | Low | 114 Ų | 114 | 62.7 Ų | 62.7 | 61% | 0.61 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -7.6 | -167.2 | -61.9 | -82.6 | 0 | 0 | 0 | 116.2 | R947 V957 | R947-D955 IonicContact CZ-OD1 3.26Å; R947-D955 VanDerWaalsContact CZ-OD1 3.23Å; R947-D955 IonicContact NH1-OD1 3.95Å; R947-D955 PolarHBondContact NH1-OD1 2.87Å; R947-D955 IonicContact NH2-OD1 2.69Å; R947-D955 PolarHBondContact NH2-OD1 3.31Å; D955-V957 VanDerWaalsContact C-N 3.35Å; D955-V957 PolarHBondContact O-N 2.87Å |
| 956 | G | 42.7 | Very low | 55.6 | Low | 75 Ų | 75 | 69.3 Ų | 69.3 | 77% | 0.773 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -1.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | S954 | S954-G956 PolarHBondContact O-N 3.36Š|
| 957 | V | 43.8 | Very low | 54.7 | Low | 49 Ų | 49 | 69.7 Ų | 69.7 | 30% | 0.297 | 41% | 0.413 | S | S | . | . | S | Bend | trans | -97.7 | -13.7 | -174 | -175.2 | 0 | 0 | 0 | 0 | 113.4 | S954 D955 S959 M962 | S954-V957 PolarHBondContact O-N 3.09Å; D955-V957 VanDerWaalsContact C-N 3.35Å; D955-V957 PolarHBondContact O-N 2.87Å; V957-S959 PolarHBondContact O-N 3.28Å; V957-M962 HydrophobicContact CG1-CG 4.01Å; V957-M962 HydrophobicContact CG1-SD 4.33Å |
| 958 | L | 42.7 | Very low | 53.8 | Low | 86 Ų | 86 | 72.5 Ų | 72.5 | 45% | 0.45 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | 8.5 | -171.2 | -65.9 | 171.8 | 0 | 0 | 0 | 115.6 | T943 M962 | T943-L958 HydrophobicContact CG2-CD1 4.38Å; L958-M962 HydrophobicContact CD2-SD 4.43Å |
| 959 | S | 43 | Very low | 53.5 | Low | 127 Ų | 127 | 74.7 Ų | 74.7 | 89% | 0.888 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.2 | 27.4 | -178.4 | -51.4 | 0 | 0 | 0 | 0 | 114.1 | V957 | V957-S959 PolarHBondContact O-N 3.28Š|
| 960 | G | 42.1 | Very low | 53 | Low | 29 Ų | 29 | 76.3 Ų | 76.3 | 30% | 0.299 | 45% | 0.445 | S | S | . | . | S | Bend | trans | 172.9 | 120.9 | 169.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | R966 | G960-R966 PolarHBondContact O-NH1 3.21Š|
| 961 | D | 42.6 | Very low | 52.7 | Low | 74 Ų | 74 | 78.5 Ų | 78.5 | 40% | 0.396 | 45% | 0.452 | S | S | . | . | trans | 29.5 | 85 | 167.5 | -59 | -5.9 | 0 | 0 | 0 | 115.8 | S963 R966 L1103 | D961-S963 VanDerWaalsContact C-N 3.35Å; D961-S963 PolarHBondContact O-N 3.18Å; D961-S963 VanDerWaalsContact O-N 3.14Å; D961-R966 PolarHBondContact O-NH1 3.16Å; D961-L1103 WeakPolarHBondContact OD2-CB 3.32Å | ||
| 962 | M | 47.3 | Very low | 53.1 | Low | 27 Ų | 27 | 79.7 Ų | 79.7 | 13% | 0.133 | 45% | 0.451 | C | S | . | . | trans | -83.4 | 75.6 | 172.5 | -106.8 | -161.2 | 63.6 | 0 | 0 | 111 | V950 L953 V957 L958 V967 | V950-M962 HydrophobicContact CG1-CE 4.25Å; L953-M962 HydrophobicContact CD1-CE 3.45Å; L953-M962 VanDerWaalsContact CD1-CE 3.45Å; L953-M962 HydrophobicContact CD1-SD 3.86Å; V957-M962 HydrophobicContact CG1-CG 4.01Å; V957-M962 HydrophobicContact CG1-SD 4.33Å; L958-M962 HydrophobicContact CD2-SD 4.43Å; M962-V967 HydrophobicContact CE-CG2 3.79Å | ||
| 963 | S | 54.5 | Low | 54.4 | Low | 56 Ų | 56 | 74.7 Ų | 74.7 | 39% | 0.392 | 42% | 0.42 | S | S | . | . | trans | -66.5 | 139.9 | 166.6 | 66.4 | 0 | 0 | 0 | 0 | 110.8 | D961 E965 R966 | D961-S963 VanDerWaalsContact C-N 3.35Å; D961-S963 PolarHBondContact O-N 3.18Å; D961-S963 VanDerWaalsContact O-N 3.14Å; S963-E965 PolarHBondContact O-N 2.82Å; S963-E965 VanDerWaalsContact O-N 3.1Å; S963-R966 VanDerWaalsContact O-CB 3.28Å; S963-R966 WeakPolarHBondContact O-CB 3.42Å; S963-R966 PolarHBondContact O-N 3.13Å; S963-R966 PolarHBondContact OG-N 3.02Å | ||
| 964 | L | 55 | Low | 56.1 | Low | 65 Ų | 65 | 75.7 Ų | 75.7 | 34% | 0.34 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -53.8 | -31.1 | 173.8 | -177.6 | 65.6 | 0 | 0 | 0 | 111.8 | T915 R966 V967 R968 | T915-L964 HydrophobicContact CG2-CD2 4.47Å; L964-R966 VanDerWaalsContact C-N 3.29Å; L964-R966 PolarHBondContact O-N 3.14Å; L964-V967 WeakPolarHBondContact O-CB 3.39Å; L964-V967 PolarHBondContact O-N 2.73Å; L964-R968 PolarHBondContact O-N 2.95Å |
| 965 | E | 56.8 | Low | 57.7 | Low | 102 Ų | 102 | 77.9 Ų | 77.9 | 48% | 0.477 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -61.9 | -33 | 175.2 | -150.8 | -174.2 | 127.8 | 0 | 0 | 112.8 | S963 R969 | S963-E965 PolarHBondContact O-N 2.82Å; S963-E965 VanDerWaalsContact O-N 3.1Å; E965-R969 VanDerWaalsContact CG-NH1 3.34Å; E965-R969 WeakPolarHBondContact O-CB 3.48Å; E965-R969 VanDerWaalsContact O-CG 3.26Å; E965-R969 WeakPolarHBondContact O-CG 3.5Å; E965-R969 PolarHBondContact O-N 2.68Å; E965-R969 IonicContact OE1-CZ 2.72Å; E965-R969 IonicContact OE1-NH1 3.45Å; E965-R969 PolarHBondContact OE1-NH1 2.9Å; E965-R969 IonicContact OE1-NH2 2.91Å; E965-R969 PolarHBondContact OE1-NH2 3.34Å |
| 966 | R | 62.6 | Low | 59.6 | Low | 140 Ų | 140 | 73.4 Ų | 73.4 | 53% | 0.528 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -69.8 | -35.8 | 174.9 | -155.8 | 177.6 | -160.2 | 162.9 | 4 | 111.9 | G960 D961 S963 L964 A970 | G960-R966 PolarHBondContact O-NH1 3.21Å; D961-R966 PolarHBondContact O-NH1 3.16Å; S963-R966 VanDerWaalsContact O-CB 3.28Å; S963-R966 WeakPolarHBondContact O-CB 3.42Å; S963-R966 PolarHBondContact O-N 3.13Å; S963-R966 PolarHBondContact OG-N 3.02Å; L964-R966 VanDerWaalsContact C-N 3.29Å; L964-R966 PolarHBondContact O-N 3.14Å; R966-A970 PolarHBondContact O-N 3.39Å; R966-A970 VanDerWaalsContact O-N 3.15Å |
| 967 | V | 63.5 | Low | 61.4 | Low | 26 Ų | 26 | 80 Ų | 80 | 16% | 0.158 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -68.9 | -48.2 | 174 | -168.2 | 0 | 0 | 0 | 0 | 110.3 | V950 L953 M962 L964 R969 A970 E971 | V950-V967 HydrophobicContact CG1-CG1 4.04Å; V950-V967 HydrophobicContact CG1-CG2 4.12Å; L953-V967 HydrophobicContact CD1-CG1 4.47Å; L953-V967 HydrophobicContact CD1-CG2 3.99Å; M962-V967 HydrophobicContact CE-CG2 3.79Å; L964-V967 WeakPolarHBondContact O-CB 3.39Å; L964-V967 PolarHBondContact O-N 2.73Å; V967-R969 VanDerWaalsContact C-N 3.34Å; V967-R969 PolarHBondContact O-N 3.45Å; V967-A970 PolarHBondContact O-N 2.92Å; V967-A970 VanDerWaalsContact O-N 3.13Å; V967-E971 PolarHBondContact O-N 3.11Å |
| 968 | R | 62.8 | Low | 63.3 | Low | 152 Ų | 152 | 78.9 Ų | 78.9 | 57% | 0.574 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -58.1 | -42.7 | 174.5 | -72.2 | -178.8 | 178.3 | -177.6 | 0.7 | 112.1 | L964 A970 E971 I972 | L964-R968 PolarHBondContact O-N 2.95Å; R968-A970 PolarHBondContact O-N 3.46Å; R968-E971 PolarHBondContact O-N 2.95Å; R968-I972 WeakPolarHBondContact O-CB 3.37Å; R968-I972 WeakPolarHBondContact O-CD1 3.38Å; R968-I972 WeakPolarHBondContact O-CG1 3.27Å; R968-I972 PolarHBondContact O-N 3.28Å |
| 969 | R | 71.2 | Confident | 65.2 | Low | 68 Ų | 68 | 79.8 Ų | 79.8 | 26% | 0.257 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -55 | -50.5 | 172.5 | -80.8 | 179.1 | 175 | 93.2 | 7.8 | 111.5 | E965 V967 E971 I972 V973 P1162 P1164 | E965-R969 VanDerWaalsContact CG-NH1 3.34Å; E965-R969 WeakPolarHBondContact O-CB 3.48Å; E965-R969 VanDerWaalsContact O-CG 3.26Å; E965-R969 WeakPolarHBondContact O-CG 3.5Å; E965-R969 PolarHBondContact O-N 2.68Å; E965-R969 IonicContact OE1-CZ 2.72Å; E965-R969 IonicContact OE1-NH1 3.45Å; E965-R969 PolarHBondContact OE1-NH1 2.9Å; E965-R969 IonicContact OE1-NH2 2.91Å; E965-R969 PolarHBondContact OE1-NH2 3.34Å; V967-R969 VanDerWaalsContact C-N 3.34Å; V967-R969 PolarHBondContact O-N 3.45Å; R969-E971 PolarHBondContact O-N 2.99Å; R969-I972 PolarHBondContact O-N 2.86Å; R969-V973 WeakPolarHBondContact O-CG2 3.22Å; R969-V973 PolarHBondContact O-N 2.92Å; R969-P1162 PolarHBondContact NE-O 2.87Å; R969-P1162 PolarHBondContact NH2-O 2.97Å; R969-P1164 HydrophobicContact CB-CG 4.13Å; R969-P1164 HydrophobicContact CG-CG 4.02Å |
| 970 | A | 68.7 | Low | 67.3 | Low | 49 Ų | 49 | 75.1 Ų | 75.1 | 41% | 0.405 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -63.2 | -40.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | R966 V967 R968 V973 A974 | R966-A970 PolarHBondContact O-N 3.39Å; R966-A970 VanDerWaalsContact O-N 3.15Å; V967-A970 PolarHBondContact O-N 2.92Å; V967-A970 VanDerWaalsContact O-N 3.13Å; R968-A970 PolarHBondContact O-N 3.46Å; A970-V973 PolarHBondContact O-N 3.13Å; A970-A974 WeakPolarHBondContact O-CB 3.37Å; A970-A974 PolarHBondContact O-N 3.26Å |
| 971 | E | 69.3 | Low | 69.2 | Low | 97 Ų | 97 | 76 Ų | 76 | 45% | 0.453 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -66.3 | -41.9 | 177 | -165.8 | -166.7 | 173.5 | 0 | 0 | 112.3 | V967 R968 R969 A974 K975 | V967-E971 PolarHBondContact O-N 3.11Å; R968-E971 PolarHBondContact O-N 2.95Å; R969-E971 PolarHBondContact O-N 2.99Å; E971-A974 PolarHBondContact O-N 3.16Å; E971-K975 HydrophobicContact CG-CD 4.37Å; E971-K975 WeakPolarHBondContact O-CB 3.42Å; E971-K975 WeakPolarHBondContact O-CG 3.43Å; E971-K975 PolarHBondContact O-N 3.19Å; E971-K975 VanDerWaalsContact OE1-CE 3.27Å; E971-K975 WeakPolarHBondContact OE1-CE 3.45Å; E971-K975 IonicContact OE1-NZ 2.64Å; E971-K975 PolarHBondContact OE1-NZ 3.45Å |
| 972 | I | 73.8 | Confident | 71 | Confident | 57 Ų | 57 | 77.1 Ų | 77.1 | 29% | 0.292 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -61.4 | -50.2 | 175.2 | -68.2 | 161.9 | 0 | 0 | 0 | 109.7 | R968 R969 A974 K975 T976 P1164 | R968-I972 WeakPolarHBondContact O-CB 3.37Å; R968-I972 WeakPolarHBondContact O-CD1 3.38Å; R968-I972 WeakPolarHBondContact O-CG1 3.27Å; R968-I972 PolarHBondContact O-N 3.28Å; R969-I972 PolarHBondContact O-N 2.86Å; I972-A974 VanDerWaalsContact C-N 3.33Å; I972-A974 PolarHBondContact O-N 2.95Å; I972-K975 CarbonylContact O-C 3.6Å; I972-K975 PolarHBondContact O-N 3.31Å; I972-T976 HydrophobicContact CG2-CG2 4.43Å; I972-T976 WeakPolarHBondContact O-CG2 3.25Å; I972-T976 PolarHBondContact O-N 2.93Å; I972-P1164 HydrophobicContact CB-CG 4.45Å; I972-P1164 HydrophobicContact CG2-CB 4.14Å; I972-P1164 HydrophobicContact CG2-CG 4.31Å |
| 973 | V | 79.9 | Confident | 72.7 | Confident | 18 Ų | 18 | 81.6 Ų | 81.6 | 11% | 0.109 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -54.9 | -48.1 | 176.6 | 171.3 | 0 | 0 | 0 | 0 | 110.8 | R969 A970 K975 T976 L1155 P1164 | R969-V973 WeakPolarHBondContact O-CG2 3.22Å; R969-V973 PolarHBondContact O-N 2.92Å; A970-V973 PolarHBondContact O-N 3.13Å; V973-K975 PolarHBondContact O-N 2.62Å; V973-T976 PolarHBondContact O-N 2.98Å; V973-T976 VanDerWaalsContact O-N 3.09Å; V973-T976 PolarHBondContact O-OG1 2.7Å; V973-L1155 HydrophobicContact CG1-CD1 3.95Å; V973-L1155 HydrophobicContact CG1-CG 4.36Å; V973-P1164 HydrophobicContact CG2-CB 3.75Å; V973-P1164 HydrophobicContact CG2-CG 3.94Å |
| 974 | A | 74.2 | Confident | 74.2 | Confident | 85 Ų | 85 | 80.5 Ų | 80.5 | 70% | 0.702 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -64.9 | -23.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114 | A970 E971 I972 | A970-A974 WeakPolarHBondContact O-CB 3.37Å; A970-A974 PolarHBondContact O-N 3.26Å; E971-A974 PolarHBondContact O-N 3.16Å; I972-A974 VanDerWaalsContact C-N 3.33Å; I972-A974 PolarHBondContact O-N 2.95Å |
| 975 | K | 76.2 | Confident | 75.7 | Confident | 139 Ų | 139 | 78.2 Ų | 78.2 | 60% | 0.604 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -90.1 | -8.1 | 174.3 | -72.4 | 177.9 | -178 | 174.6 | 0 | 113.8 | E971 I972 V973 | E971-K975 HydrophobicContact CG-CD 4.37Å; E971-K975 WeakPolarHBondContact O-CB 3.42Å; E971-K975 WeakPolarHBondContact O-CG 3.43Å; E971-K975 PolarHBondContact O-N 3.19Å; E971-K975 VanDerWaalsContact OE1-CE 3.27Å; E971-K975 WeakPolarHBondContact OE1-CE 3.45Å; E971-K975 IonicContact OE1-NZ 2.64Å; E971-K975 PolarHBondContact OE1-NZ 3.45Å; I972-K975 CarbonylContact O-C 3.6Å; I972-K975 PolarHBondContact O-N 3.31Å; V973-K975 PolarHBondContact O-N 2.62Å |
| 976 | T | 80 | Confident | 77.2 | Confident | 20 Ų | 20 | 75.4 Ų | 75.4 | 12% | 0.123 | 36% | 0.356 | C | S | . | . | trans | -72 | 132.6 | -179.2 | 63.3 | 0 | 0 | 0 | 0 | 111.9 | I972 V973 H1158 | I972-T976 HydrophobicContact CG2-CG2 4.43Å; I972-T976 WeakPolarHBondContact O-CG2 3.25Å; I972-T976 PolarHBondContact O-N 2.93Å; V973-T976 PolarHBondContact O-N 2.98Å; V973-T976 VanDerWaalsContact O-N 3.09Å; V973-T976 PolarHBondContact O-OG1 2.7Å; T976-H1158 WeakPolarHBondContact CG2-NE2 3.08Å | ||
| 977 | R | 80.4 | Confident | 78.2 | Confident | 215 Ų | 215 | 70 Ų | 70 | 81% | 0.811 | 34% | 0.337 | S | S | * | . | trans | -104.1 | 99 | 171.3 | -173 | 178.7 | -179.3 | -172.4 | 0.3 | 109.6 | ||||
| 978 | I | 82.4 | Confident | 79.2 | Confident | 25 Ų | 25 | 72 Ų | 72 | 13% | 0.128 | 35% | 0.347 | C | S | . | . | trans | -65.5 | 141.2 | -179.1 | -61.1 | 169.5 | 0 | 0 | 0 | 110.4 | E1151 L1154 L1155 F1171 | I978-E1151 WeakPolarHBondContact CD1-O 3.25Å; I978-L1154 HydrophobicContact CD1-CB 4.11Å; I978-L1154 HydrophobicContact CG2-CB 3.91Å; I978-L1154 HydrophobicContact CG2-CD1 3.87Å; I978-L1155 HydrophobicContact CD1-CB 3.52Å; I978-L1155 HydrophobicContact CD1-CD1 3.79Å; I978-L1155 HydrophobicContact CD1-CG 4.27Å; I978-F1171 HydrophobicContact CG1-CE1 4.4Å; I978-F1171 HydrophobicContact CG1-CZ 4.24Å; I978-F1171 HydrophobicContact CG2-CD1 4.12Å; I978-F1171 HydrophobicContact CG2-CE1 4.24Å; I978-F1171 HydrophobicContact CG2-CG 4.32Å | ||
| 979 | Q | 82.5 | Confident | 80.4 | Confident | 105 Ų | 105 | 67.5 Ų | 67.5 | 49% | 0.491 | 33% | 0.333 | S | S | . | . | trans | -133.1 | 143.3 | 168.4 | -57.7 | -178.1 | 24.3 | 0 | 0 | 107.3 | K1170 F1171 | Q979-K1170 HydrophobicContact CB-CG 4.2Å; Q979-K1170 CarbonylContact O-C 3.53Å; Q979-K1170 WeakPolarHBondContact O-CA 3.37Å; Q979-F1171 WeakPolarHBondContact O-CD1 3.32Å; Q979-F1171 PolarHBondContact O-N 2.88Å | ||
| 980 | W | 87.4 | Confident | 81.1 | Confident | 29 Ų | 29 | 65 Ų | 65 | 11% | 0.11 | 32% | 0.324 | C | S | . | . | B | Isolated β-bridge | trans | -140.7 | 166.8 | 177.7 | 46.4 | -87.8 | 0 | 0 | 0 | 108.3 | Q982 L985 V1150 L1154 F1171 L1173 | W980-Q982 VanDerWaalsContact CH2-OE1 3.31Å; W980-L985 HydrophobicContact CE3-CB 4.33Å; W980-L985 HydrophobicContact CE3-CD2 4.49Å; W980-L985 HydrophobicContact CH2-CD2 3.52Å; W980-L985 HydrophobicContact CZ3-CB 3.74Å; W980-L985 HydrophobicContact CZ3-CD2 3.42Å; W980-L985 VanDerWaalsContact CZ3-CD2 3.42Å; W980-L985 HydrophobicContact CZ3-CG 4.2Å; W980-V1150 HydrophobicContact CD2-CG1 3.74Å; W980-V1150 HydrophobicContact CE3-CG1 4.29Å; W980-V1150 HydrophobicContact CG-CG1 3.91Å; W980-V1150 HydrophobicContact CZ2-CB 4.39Å; W980-V1150 HydrophobicContact CZ2-CG1 4.3Å; W980-L1154 HydrophobicContact CB-CD1 3.77Å; W980-L1154 HydrophobicContact CG-CD1 3.9Å; W980-F1171 WeakPolarHBondContact CA-O 3.4Å; W980-F1171 WeakPolarHBondContact CB-O 3.32Å; W980-L1173 HydrophobicContact CB-CD2 4.24Å; W980-L1173 HydrophobicContact CE3-CD1 4.04Å |
| 981 | D | 82.2 | Confident | 81.9 | Confident | 46 Ų | 46 | 67 Ų | 67 | 25% | 0.246 | 32% | 0.321 | C | S | . | . | trans | -90.8 | 129.6 | -179.5 | -144.4 | -59.8 | 0 | 0 | 0 | 113.3 | E983 E984 L985 K1170 | D981-E983 VanDerWaalsContact C-N 3.32Å; D981-E983 PolarHBondContact OD1-N 3.19Å; D981-E983 VanDerWaalsContact OD1-N 3.1Å; D981-E984 HydrophobicContact CB-CG 4.06Å; D981-E984 PolarHBondContact O-N 3.16Å; D981-L985 PolarHBondContact O-N 3.11Å; D981-K1170 IonicContact OD2-NZ 2.78Å; D981-K1170 PolarHBondContact OD2-NZ 2.94Å | ||
| 982 | Q | 81.5 | Confident | 82.8 | Confident | 98 Ų | 98 | 67.5 Ų | 67.5 | 46% | 0.458 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -71.4 | -29.7 | -179.1 | -167.9 | 69.7 | 52.9 | 0 | 0 | 111.4 | W980 L985 L986 | W980-Q982 VanDerWaalsContact CH2-OE1 3.31Å; Q982-L985 PolarHBondContact O-N 2.93Å; Q982-L986 HydrophobicContact CG-CD1 4.15Å; Q982-L986 WeakPolarHBondContact O-CD1 3.33Å; Q982-L986 VanDerWaalsContact O-CG 3.26Å; Q982-L986 WeakPolarHBondContact O-CG 3.41Å; Q982-L986 PolarHBondContact O-N 2.98Å |
| 983 | E | 82.7 | Confident | 83.5 | Confident | 121 Ų | 121 | 66.3 Ų | 66.3 | 57% | 0.565 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -66.5 | -40.7 | 176.6 | -67.8 | -171.3 | -165.6 | 0 | 0 | 111.2 | D981 L985 L986 E987 | D981-E983 VanDerWaalsContact C-N 3.32Å; D981-E983 PolarHBondContact OD1-N 3.19Å; D981-E983 VanDerWaalsContact OD1-N 3.1Å; E983-L985 PolarHBondContact O-N 3.39Å; E983-L986 PolarHBondContact O-N 3.01Å; E983-E987 WeakPolarHBondContact O-CB 3.4Å; E983-E987 PolarHBondContact O-N 3.19Å |
| 984 | E | 85.5 | Confident | 83.7 | Confident | 34 Ų | 34 | 69.4 Ų | 69.4 | 16% | 0.159 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63 | -40.9 | 176.5 | -64 | -176.9 | 147.4 | 0 | 0 | 112.3 | D981 L986 E987 L988 S1172 L1173 Y1174 | D981-E984 HydrophobicContact CB-CG 4.06Å; D981-E984 PolarHBondContact O-N 3.16Å; E984-L986 VanDerWaalsContact C-N 3.32Å; E984-L986 PolarHBondContact O-N 3.08Å; E984-E987 PolarHBondContact O-N 2.74Å; E984-L988 WeakPolarHBondContact O-CB 3.22Å; E984-L988 VanDerWaalsContact O-CG 3.31Å; E984-L988 WeakPolarHBondContact O-CG 3.23Å; E984-L988 PolarHBondContact O-N 2.72Å; E984-S1172 WeakPolarHBondContact OE1-CB 3.48Å; E984-S1172 PolarHBondContact OE1-OG 3.31Å; E984-S1172 WeakPolarHBondContact OE2-CA 3.5Å; E984-S1172 PolarHBondContact OE2-OG 3.24Å; E984-L1173 HydrophobicContact CB-CB 4.3Å; E984-L1173 HydrophobicContact CB-CD1 4.34Å; E984-L1173 HydrophobicContact CB-CG 4.48Å; E984-L1173 PolarHBondContact OE2-N 3.46Å; E984-Y1174 HydrophobicContact CB-CE1 4.41Å; E984-Y1174 HydrophobicContact CB-CE2 4.17Å; E984-Y1174 HydrophobicContact CG-CD2 4.16Å; E984-Y1174 HydrophobicContact CG-CE2 3.55Å; E984-Y1174 VanDerWaalsContact OE1-CD2 3.29Å; E984-Y1174 WeakPolarHBondContact OE1-CD2 3.5Å; E984-Y1174 WeakPolarHBondContact OE1-CE2 3.27Å |
| 985 | L | 87.4 | Confident | 84.3 | Confident | 17 Ų | 17 | 69.6 Ų | 69.6 | 9% | 0.089 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -63.8 | -40.7 | 176.8 | -178.2 | 60.7 | 0 | 0 | 0 | 111.1 | W980 D981 Q982 E983 L988 I989 L1146 V1150 L1173 | W980-L985 HydrophobicContact CE3-CB 4.33Å; W980-L985 HydrophobicContact CE3-CD2 4.49Å; W980-L985 HydrophobicContact CH2-CD2 3.52Å; W980-L985 HydrophobicContact CZ3-CB 3.74Å; W980-L985 HydrophobicContact CZ3-CD2 3.42Å; W980-L985 VanDerWaalsContact CZ3-CD2 3.42Å; W980-L985 HydrophobicContact CZ3-CG 4.2Å; D981-L985 PolarHBondContact O-N 3.11Å; Q982-L985 PolarHBondContact O-N 2.93Å; E983-L985 PolarHBondContact O-N 3.39Å; L985-L988 PolarHBondContact O-N 2.73Å; L985-I989 HydrophobicContact CD1-CD1 4.42Å; L985-I989 HydrophobicContact CG-CD1 4.08Å; L985-I989 WeakPolarHBondContact O-CD1 3.47Å; L985-I989 VanDerWaalsContact O-CG1 3.24Å; L985-I989 WeakPolarHBondContact O-CG1 3.41Å; L985-I989 PolarHBondContact O-N 3.36Å; L985-L1146 HydrophobicContact CD1-CD2 4.31Å; L985-L1146 HydrophobicContact CD2-CD2 3.99Å; L985-L1146 HydrophobicContact CD2-CG 4.23Å; L985-L1146 HydrophobicContact CG-CD2 4.47Å; L985-V1150 HydrophobicContact CD1-CG2 4.3Å; L985-L1173 HydrophobicContact CB-CD1 3.66Å; L985-L1173 HydrophobicContact CD1-CD1 4.15Å; L985-L1173 HydrophobicContact CG-CD1 4.46Å |
| 986 | L | 86.2 | Confident | 84.8 | Confident | 42 Ų | 42 | 69.4 Ų | 69.4 | 22% | 0.22 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -71 | -33.4 | 178.6 | -67.3 | 166.1 | 0 | 0 | 0 | 111.7 | Q982 E983 E984 I989 Y990 L1005 A1009 L1011 | Q982-L986 HydrophobicContact CG-CD1 4.15Å; Q982-L986 WeakPolarHBondContact O-CD1 3.33Å; Q982-L986 VanDerWaalsContact O-CG 3.26Å; Q982-L986 WeakPolarHBondContact O-CG 3.41Å; Q982-L986 PolarHBondContact O-N 2.98Å; E983-L986 PolarHBondContact O-N 3.01Å; E984-L986 VanDerWaalsContact C-N 3.32Å; E984-L986 PolarHBondContact O-N 3.08Å; L986-I989 PolarHBondContact O-N 3.38Å; L986-Y990 WeakPolarHBondContact O-CB 3.42Å; L986-Y990 PolarHBondContact O-N 3.27Å; L986-L1005 HydrophobicContact CD2-CD1 4.16Å; L986-A1009 HydrophobicContact CD1-CB 4.08Å; L986-L1011 HydrophobicContact CB-CD1 4.19Å; L986-L1011 HydrophobicContact CB-CD2 3.75Å |
| 987 | E | 84.5 | Confident | 85.1 | Confident | 27 Ų | 27 | 70.5 Ų | 70.5 | 13% | 0.126 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -69.9 | -36.7 | 172 | -163.8 | -178.8 | 143.2 | 0 | 0 | 112.3 | E983 E984 Y990 R991 Y1174 | E983-E987 WeakPolarHBondContact O-CB 3.4Å; E983-E987 PolarHBondContact O-N 3.19Å; E984-E987 PolarHBondContact O-N 2.74Å; E987-Y990 WeakPolarHBondContact O-CB 3.32Å; E987-Y990 PolarHBondContact O-N 3.47Å; E987-R991 PolarHBondContact O-N 3.36Å; E987-R991 IonicContact OE1-CZ 3.82Å; E987-R991 IonicContact OE1-NH1 3.16Å; E987-R991 PolarHBondContact OE1-NH1 3.42Å; E987-R991 IonicContact OE1-NH2 2.69Å; E987-R991 PolarHBondContact OE1-NH2 3.25Å; E987-Y1174 PolarHBondContact OE1-OH 3.27Å; E987-Y1174 PolarHBondContact OE2-OH 3.32Å |
| 988 | L | 85.2 | Confident | 85.4 | Confident | 68 Ų | 68 | 64.3 Ų | 64.3 | 36% | 0.356 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -65.3 | -41.9 | 171 | -74.5 | 169.5 | 0 | 0 | 0 | 111.8 | E984 L985 R991 H992 L1173 Y1174 | E984-L988 WeakPolarHBondContact O-CB 3.22Å; E984-L988 VanDerWaalsContact O-CG 3.31Å; E984-L988 WeakPolarHBondContact O-CG 3.23Å; E984-L988 PolarHBondContact O-N 2.72Å; L985-L988 PolarHBondContact O-N 2.73Å; L988-R991 PolarHBondContact O-N 2.99Å; L988-H992 WeakPolarHBondContact O-CB 3.48Å; L988-H992 PolarHBondContact O-N 3.39Å; L988-L1173 HydrophobicContact CD1-CB 3.63Å; L988-L1173 HydrophobicContact CD1-CD1 4.26Å; L988-Y1174 HydrophobicContact CD2-CD1 4.33Å; L988-Y1174 HydrophobicContact CD2-CE1 4.16Å; L988-Y1174 HydrophobicContact CG-CE1 4.07Å |
| 989 | I | 86.7 | Confident | 85.7 | Confident | 57 Ų | 57 | 68.8 Ų | 68.8 | 29% | 0.292 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63.5 | -42.8 | 172.7 | -67.2 | 162.9 | 0 | 0 | 0 | 110.2 | L985 L986 H992 L993 L1005 L1146 | L985-I989 HydrophobicContact CD1-CD1 4.42Å; L985-I989 HydrophobicContact CG-CD1 4.08Å; L985-I989 WeakPolarHBondContact O-CD1 3.47Å; L985-I989 VanDerWaalsContact O-CG1 3.24Å; L985-I989 WeakPolarHBondContact O-CG1 3.41Å; L985-I989 PolarHBondContact O-N 3.36Å; L986-I989 PolarHBondContact O-N 3.38Å; I989-H992 WeakPolarHBondContact O-CB 3.35Å; I989-H992 PolarHBondContact O-N 3.2Å; I989-L993 HydrophobicContact CG2-CD1 4.06Å; I989-L993 HydrophobicContact CG2-CG 4.3Å; I989-L993 WeakPolarHBondContact O-CG 3.42Å; I989-L993 PolarHBondContact O-N 3.48Å; I989-L1005 HydrophobicContact CB-CD2 4.17Å; I989-L1005 HydrophobicContact CG2-CD2 3.66Å; I989-L1146 HydrophobicContact CD1-CD2 4.11Å |
| 990 | Y | 86.9 | Confident | 86 | Confident | 15 Ų | 15 | 71.7 Ų | 71.7 | 6% | 0.059 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -58.3 | -50.5 | 175.4 | 175.9 | -88.6 | 0 | 0 | 0 | 112 | L986 E987 H992 L993 Q994 A1002 Q1006 L1011 I1013 | L986-Y990 WeakPolarHBondContact O-CB 3.42Å; L986-Y990 PolarHBondContact O-N 3.27Å; E987-Y990 WeakPolarHBondContact O-CB 3.32Å; E987-Y990 PolarHBondContact O-N 3.47Å; Y990-H992 VanDerWaalsContact C-N 3.28Å; Y990-H992 PolarHBondContact O-N 3.44Å; Y990-L993 PolarHBondContact O-N 3.46Å; Y990-Q994 HydrophobicContact CD1-CG 4.28Å; Y990-Q994 HydrophobicContact CE1-CG 3.81Å; Y990-Q994 VanDerWaalsContact CE1-NE2 3.26Å; Y990-Q994 VanDerWaalsContact CZ-NE2 3.33Å; Y990-Q994 PolarHBondContact O-N 3.23Å; Y990-Q994 PolarHBondContact OH-NE2 2.98Å; Y990-A1002 HydrophobicContact CD2-CB 3.85Å; Y990-A1002 WeakPolarHBondContact CD2-O 3.27Å; Y990-A1002 HydrophobicContact CE2-CB 3.74Å; Y990-A1002 WeakPolarHBondContact CE2-O 3.47Å; Y990-Q1006 HydrophobicContact CD2-CB 3.98Å; Y990-Q1006 HydrophobicContact CE2-CB 3.65Å; Y990-Q1006 HydrophobicContact CE2-CG 4.3Å; Y990-Q1006 PolarHBondContact OH-OE1 3.22Å; Y990-Q1006 VanDerWaalsContact OH-OE1 3.04Å; Y990-L1011 HydrophobicContact CG-CD1 4.48Å; Y990-I1013 HydrophobicContact CD1-CD1 4.06Å; Y990-I1013 HydrophobicContact CD1-CG1 4.47Å; Y990-I1013 HydrophobicContact CE1-CD1 3.34Å; Y990-I1013 HydrophobicContact CE1-CG1 4.14Å; Y990-I1013 HydrophobicContact CE2-CD1 3.86Å; Y990-I1013 WeakPolarHBondContact OH-CD1 3.27Å |
| 991 | R | 85.8 | Confident | 86.1 | Confident | 93 Ų | 93 | 73.1 Ų | 73.1 | 35% | 0.351 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -62 | -36 | 175.5 | -73.9 | -165.7 | -179.5 | 92.4 | 8.8 | 111.8 | E987 L988 S995 | E987-R991 PolarHBondContact O-N 3.36Å; E987-R991 IonicContact OE1-CZ 3.82Å; E987-R991 IonicContact OE1-NH1 3.16Å; E987-R991 PolarHBondContact OE1-NH1 3.42Å; E987-R991 IonicContact OE1-NH2 2.69Å; E987-R991 PolarHBondContact OE1-NH2 3.25Å; L988-R991 PolarHBondContact O-N 2.99Å; R991-S995 WeakPolarHBondContact O-CB 3.39Å; R991-S995 PolarHBondContact O-N 3.48Å |
| 992 | H | 87.3 | Confident | 86.3 | Confident | 106 Ų | 106 | 71 Ų | 71 | 49% | 0.491 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -63.8 | -49.1 | 174.2 | -166.6 | 89.6 | 0 | 0 | 0 | 111.7 | L988 I989 Y990 Q994 S995 K996 | L988-H992 WeakPolarHBondContact O-CB 3.48Å; L988-H992 PolarHBondContact O-N 3.39Å; I989-H992 WeakPolarHBondContact O-CB 3.35Å; I989-H992 PolarHBondContact O-N 3.2Å; Y990-H992 VanDerWaalsContact C-N 3.28Å; Y990-H992 PolarHBondContact O-N 3.44Å; H992-Q994 VanDerWaalsContact C-N 3.34Å; H992-Q994 PolarHBondContact O-N 3.15Å; H992-S995 PolarHBondContact O-N 3.22Å; H992-S995 VanDerWaalsContact O-N 3.1Å; H992-S995 PolarHBondContact O-OG 2.99Å; H992-K996 VanDerWaalsContact NE2-CE 3.28Å; H992-K996 WeakPolarHBondContact NE2-CE 3.5Å; H992-K996 WeakPolarHBondContact O-CG 3.31Å; H992-K996 PolarHBondContact O-N 3.27Å |
| 993 | L | 87.8 | Confident | 86.5 | Confident | 33 Ų | 33 | 69.3 Ų | 69.3 | 17% | 0.173 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -58.5 | -44.2 | 176.9 | -69.5 | 172.3 | 0 | 0 | 0 | 111.5 | I989 Y990 K996 G997 L998 A1002 L1005 | I989-L993 HydrophobicContact CG2-CD1 4.06Å; I989-L993 HydrophobicContact CG2-CG 4.3Å; I989-L993 WeakPolarHBondContact O-CG 3.42Å; I989-L993 PolarHBondContact O-N 3.48Å; Y990-L993 PolarHBondContact O-N 3.46Å; L993-K996 PolarHBondContact O-N 3.02Å; L993-G997 PolarHBondContact O-N 2.86Å; L993-L998 HydrophobicContact CB-CB 4.27Å; L993-L998 HydrophobicContact CD2-CB 4.03Å; L993-L998 HydrophobicContact CD2-CD1 3.66Å; L993-L998 PolarHBondContact O-N 2.96Å; L993-A1002 HydrophobicContact CB-CB 3.87Å; L993-L1005 HydrophobicContact CD1-CD2 3.87Å |
| 994 | Q | 85.4 | Confident | 86.8 | Confident | 83 Ų | 83 | 65.5 Ų | 65.5 | 39% | 0.388 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -57.7 | -48.1 | 171.6 | -74.3 | -167.4 | -35.6 | 0 | 0 | 112.2 | Y990 H992 K996 G997 A1002 | Y990-Q994 HydrophobicContact CD1-CG 4.28Å; Y990-Q994 HydrophobicContact CE1-CG 3.81Å; Y990-Q994 VanDerWaalsContact CE1-NE2 3.26Å; Y990-Q994 VanDerWaalsContact CZ-NE2 3.33Å; Y990-Q994 PolarHBondContact O-N 3.23Å; Y990-Q994 PolarHBondContact OH-NE2 2.98Å; H992-Q994 VanDerWaalsContact C-N 3.34Å; H992-Q994 PolarHBondContact O-N 3.15Å; Q994-K996 PolarHBondContact O-N 3.47Å; Q994-G997 PolarHBondContact O-N 2.77Å; Q994-A1002 HydrophobicContact CG-CB 3.99Å |
| 995 | S | 86.9 | Confident | 86.9 | Confident | 88 Ų | 88 | 65.4 Ų | 65.4 | 62% | 0.615 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -64.2 | -21.1 | 179.7 | 78.2 | 0 | 0 | 0 | 0 | 113.9 | R991 H992 | R991-S995 WeakPolarHBondContact O-CB 3.39Å; R991-S995 PolarHBondContact O-N 3.48Å; H992-S995 PolarHBondContact O-N 3.22Å; H992-S995 VanDerWaalsContact O-N 3.1Å; H992-S995 PolarHBondContact O-OG 2.99Å |
| 996 | K | 87 | Confident | 86.8 | Confident | 135 Ų | 135 | 67.7 Ų | 67.7 | 59% | 0.587 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.2 | 3.6 | 175.2 | -64.8 | -62.2 | -176.8 | -178.2 | 0 | 113.6 | H992 L993 Q994 L998 | H992-K996 VanDerWaalsContact NE2-CE 3.28Å; H992-K996 WeakPolarHBondContact NE2-CE 3.5Å; H992-K996 WeakPolarHBondContact O-CG 3.31Å; H992-K996 PolarHBondContact O-N 3.27Å; L993-K996 PolarHBondContact O-N 3.02Å; Q994-K996 PolarHBondContact O-N 3.47Å; K996-L998 HydrophobicContact CB-CD1 4.29Å; K996-L998 HydrophobicContact CB-CG 4.32Å; K996-L998 PolarHBondContact O-N 2.78Å |
| 997 | G | 85.6 | Confident | 86.8 | Confident | 44 Ų | 44 | 73.1 Ų | 73.1 | 45% | 0.454 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.1 | 8.7 | -178 | 0 | 0 | 0 | 0 | 0 | 114.6 | L993 Q994 H999 | L993-G997 PolarHBondContact O-N 2.86Å; Q994-G997 PolarHBondContact O-N 2.77Å; G997-H999 PolarHBondContact O-CD2 3.2Å; G997-H999 VanDerWaalsContact O-CD2 3.27Å; G997-H999 PolarHBondContact O-N 3.01Å |
| 998 | L | 87 | Confident | 86.9 | Confident | 85 Ų | 85 | 79.4 Ų | 79.4 | 45% | 0.445 | 41% | 0.411 | S | S | . | . | trans | -82.6 | 56.8 | 179.8 | -64 | 172.8 | 0 | 0 | 0 | 110.4 | L993 K996 E1000 S1001 A1002 | L993-L998 HydrophobicContact CB-CB 4.27Å; L993-L998 HydrophobicContact CD2-CB 4.03Å; L993-L998 HydrophobicContact CD2-CD1 3.66Å; L993-L998 PolarHBondContact O-N 2.96Å; K996-L998 HydrophobicContact CB-CD1 4.29Å; K996-L998 HydrophobicContact CB-CG 4.32Å; K996-L998 PolarHBondContact O-N 2.78Å; L998-E1000 PolarHBondContact O-N 3.46Å; L998-S1001 PolarHBondContact O-N 3.43Å; L998-A1002 WeakPolarHBondContact O-CB 3.11Å; L998-A1002 PolarHBondContact O-N 3.05Å | ||
| 999 | H | 89 | Confident | 86.6 | Confident | 118 Ų | 118 | 77.9 Ų | 77.9 | 55% | 0.546 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -61.6 | -42.4 | -171 | -60.6 | -61 | 0 | 0 | 0 | 112.9 | G997 A1002 T1003 | G997-H999 PolarHBondContact O-CD2 3.2Å; G997-H999 VanDerWaalsContact O-CD2 3.27Å; G997-H999 PolarHBondContact O-N 3.01Å; H999-A1002 PolarHBondContact O-N 3.4Å; H999-T1003 PolarHBondContact O-N 3.05Å; H999-T1003 PolarHBondContact O-OG1 3.44Å; H999-T1003 VanDerWaalsContact O-OG1 3.12Å |
| 1000 | E | 88.4 | Confident | 86.3 | Confident | 166 Ų | 166 | 85.4 Ų | 85.4 | 78% | 0.776 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -60.4 | -49 | 177.1 | -64.2 | -178.3 | 169.8 | 0 | 0 | 111.2 | L998 A1002 T1003 A1004 | L998-E1000 PolarHBondContact O-N 3.46Å; E1000-A1002 VanDerWaalsContact C-N 3.32Å; E1000-A1002 PolarHBondContact O-N 2.85Å; E1000-T1003 WeakPolarHBondContact CA-OG1 3.18Å; E1000-T1003 PolarHBondContact O-N 3.24Å; E1000-T1003 PolarHBondContact O-OG1 3.46Å; E1000-A1004 PolarHBondContact O-N 3.22Å |
| 1001 | S | 88.4 | Confident | 85.6 | Confident | 59 Ų | 59 | 85.2 Ų | 85.2 | 41% | 0.413 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -62 | -38.2 | 176.7 | -46.4 | 0 | 0 | 0 | 0 | 112.4 | L998 L1005 | L998-S1001 PolarHBondContact O-N 3.43Å; S1001-L1005 WeakPolarHBondContact O-CB 3.4Å; S1001-L1005 PolarHBondContact O-N 3.38Å |
| 1002 | A | 86.7 | Confident | 84.9 | Confident | 1 Ų | 1 | 89.2 Ų | 89.2 | 1% | 0.008 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -63.8 | -46.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y990 L993 Q994 L998 H999 E1000 A1004 L1005 Q1006 | Y990-A1002 HydrophobicContact CD2-CB 3.85Å; Y990-A1002 WeakPolarHBondContact CD2-O 3.27Å; Y990-A1002 HydrophobicContact CE2-CB 3.74Å; Y990-A1002 WeakPolarHBondContact CE2-O 3.47Å; L993-A1002 HydrophobicContact CB-CB 3.87Å; Q994-A1002 HydrophobicContact CG-CB 3.99Å; L998-A1002 WeakPolarHBondContact O-CB 3.11Å; L998-A1002 PolarHBondContact O-N 3.05Å; H999-A1002 PolarHBondContact O-N 3.4Å; E1000-A1002 VanDerWaalsContact C-N 3.32Å; E1000-A1002 PolarHBondContact O-N 2.85Å; A1002-A1004 PolarHBondContact O-N 3.49Å; A1002-L1005 PolarHBondContact O-N 3.13Å; A1002-Q1006 WeakPolarHBondContact O-CB 3.22Å; A1002-Q1006 PolarHBondContact O-N 2.73Å |
| 1003 | T | 85.7 | Confident | 83.8 | Confident | 64 Ų | 64 | 86.9 Ų | 86.9 | 39% | 0.393 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -65.6 | -35.4 | 177.8 | 49.8 | 0 | 0 | 0 | 0 | 113.3 | H999 E1000 Q1006 Q1007 | H999-T1003 PolarHBondContact O-N 3.05Å; H999-T1003 PolarHBondContact O-OG1 3.44Å; H999-T1003 VanDerWaalsContact O-OG1 3.12Å; E1000-T1003 WeakPolarHBondContact CA-OG1 3.18Å; E1000-T1003 PolarHBondContact O-N 3.24Å; E1000-T1003 PolarHBondContact O-OG1 3.46Å; T1003-Q1006 PolarHBondContact O-N 3.48Å; T1003-Q1007 WeakPolarHBondContact O-CG 3.37Å; T1003-Q1007 PolarHBondContact O-N 3.01Å |
| 1004 | A | 88.7 | Confident | 82.4 | Confident | 41 Ų | 41 | 90.1 Ų | 90.1 | 34% | 0.339 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63.3 | -50.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | E1000 A1002 Q1006 Q1007 E1008 | E1000-A1004 PolarHBondContact O-N 3.22Å; A1002-A1004 PolarHBondContact O-N 3.49Å; A1004-Q1006 VanDerWaalsContact C-N 3.3Å; A1004-Q1006 PolarHBondContact O-N 3.29Å; A1004-Q1007 PolarHBondContact O-N 2.92Å; A1004-Q1007 VanDerWaalsContact O-N 3.09Å; A1004-E1008 WeakPolarHBondContact O-CG 3.43Å; A1004-E1008 PolarHBondContact O-N 3.43Å |
| 1005 | L | 87.7 | Confident | 80.7 | Confident | 31 Ų | 31 | 91.5 Ų | 91.5 | 16% | 0.162 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -57.1 | -41.8 | 176.3 | -177.2 | 64.8 | 0 | 0 | 0 | 112.2 | L986 I989 L993 S1001 A1002 A1009 L1011 | L986-L1005 HydrophobicContact CD2-CD1 4.16Å; I989-L1005 HydrophobicContact CB-CD2 4.17Å; I989-L1005 HydrophobicContact CG2-CD2 3.66Å; L993-L1005 HydrophobicContact CD1-CD2 3.87Å; S1001-L1005 WeakPolarHBondContact O-CB 3.4Å; S1001-L1005 PolarHBondContact O-N 3.38Å; A1002-L1005 PolarHBondContact O-N 3.13Å; L1005-A1009 HydrophobicContact CD1-CB 4.42Å; L1005-A1009 VanDerWaalsContact O-CB 3.26Å; L1005-A1009 WeakPolarHBondContact O-CB 3.43Å; L1005-A1009 PolarHBondContact O-N 2.99Å; L1005-L1011 HydrophobicContact CG-CD1 4.34Å |
| 1006 | Q | 86.4 | Confident | 78.5 | Confident | 65 Ų | 65 | 92 Ų | 92 | 30% | 0.304 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.9 | -40 | 176.2 | -179.6 | -174.5 | -8.1 | 0 | 0 | 112.7 | Y990 A1002 T1003 A1004 R1010 L1011 I1013 | Y990-Q1006 HydrophobicContact CD2-CB 3.98Å; Y990-Q1006 HydrophobicContact CE2-CB 3.65Å; Y990-Q1006 HydrophobicContact CE2-CG 4.3Å; Y990-Q1006 PolarHBondContact OH-OE1 3.22Å; Y990-Q1006 VanDerWaalsContact OH-OE1 3.04Å; A1002-Q1006 WeakPolarHBondContact O-CB 3.22Å; A1002-Q1006 PolarHBondContact O-N 2.73Å; T1003-Q1006 PolarHBondContact O-N 3.48Å; A1004-Q1006 VanDerWaalsContact C-N 3.3Å; A1004-Q1006 PolarHBondContact O-N 3.29Å; Q1006-R1010 VanDerWaalsContact O-CA 3.25Å; Q1006-R1010 WeakPolarHBondContact O-CA 3.37Å; Q1006-R1010 PolarHBondContact O-N 2.95Å; Q1006-L1011 PolarHBondContact O-N 2.95Å; Q1006-I1013 HydrophobicContact CG-CD1 3.89Å |
| 1007 | Q | 86.4 | Confident | 75.8 | Confident | 156 Ų | 156 | 89.9 Ų | 89.9 | 73% | 0.729 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -72.5 | -43.8 | 178.7 | -71.8 | 176.5 | 23.3 | 0 | 0 | 111.9 | T1003 A1004 | T1003-Q1007 WeakPolarHBondContact O-CG 3.37Å; T1003-Q1007 PolarHBondContact O-N 3.01Å; A1004-Q1007 PolarHBondContact O-N 2.92Å; A1004-Q1007 VanDerWaalsContact O-N 3.09Å |
| 1008 | E | 87 | Confident | 73.4 | Confident | 160 Ų | 160 | 93.9 Ų | 93.9 | 75% | 0.748 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -70.5 | -50.4 | -179.3 | -70 | -178.3 | 176.2 | 0 | 0 | 112.2 | A1004 R1010 | A1004-E1008 WeakPolarHBondContact O-CG 3.43Å; A1004-E1008 PolarHBondContact O-N 3.43Å; E1008-R1010 VanDerWaalsContact C-N 3.3Å; E1008-R1010 PolarHBondContact O-N 3.33Å |
| 1009 | A | 78.8 | Confident | 70.8 | Confident | 36 Ų | 36 | 95.1 Ų | 95.1 | 30% | 0.298 | 53% | 0.531 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -0.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | L986 L1005 L1011 | L986-A1009 HydrophobicContact CD1-CB 4.08Å; L1005-A1009 HydrophobicContact CD1-CB 4.42Å; L1005-A1009 VanDerWaalsContact O-CB 3.26Å; L1005-A1009 WeakPolarHBondContact O-CB 3.43Å; L1005-A1009 PolarHBondContact O-N 2.99Å; A1009-L1011 HydrophobicContact CB-CD1 4.41Å; A1009-L1011 HydrophobicContact CB-CD2 4.12Å; A1009-L1011 HydrophobicContact CB-CG 3.93Å; A1009-L1011 PolarHBondContact O-N 3.13Å |
| 1010 | R | 80 | Confident | 68 | Low | 215 Ų | 215 | 98.5 Ų | 98.5 | 81% | 0.811 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.9 | 32.8 | 176.5 | -56.1 | -179.6 | 177.2 | -178.2 | -1.5 | 114.5 | Q1006 E1008 K1012 | Q1006-R1010 VanDerWaalsContact O-CA 3.25Å; Q1006-R1010 WeakPolarHBondContact O-CA 3.37Å; Q1006-R1010 PolarHBondContact O-N 2.95Å; E1008-R1010 VanDerWaalsContact C-N 3.3Å; E1008-R1010 PolarHBondContact O-N 3.33Å; R1010-K1012 PolarHBondContact O-N 3.36Å |
| 1011 | L | 72.9 | Confident | 65.2 | Low | 10 Ų | 10 | 98.5 Ų | 98.5 | 5% | 0.052 | 55% | 0.552 | C | S | . | * | trans | -61.8 | 121.7 | -171.2 | -61.8 | 172.4 | 0 | 0 | 0 | 112 | L986 Y990 L1005 Q1006 A1009 I1013 | L986-L1011 HydrophobicContact CB-CD1 4.19Å; L986-L1011 HydrophobicContact CB-CD2 3.75Å; Y990-L1011 HydrophobicContact CG-CD1 4.48Å; L1005-L1011 HydrophobicContact CG-CD1 4.34Å; Q1006-L1011 PolarHBondContact O-N 2.95Å; A1009-L1011 HydrophobicContact CB-CD1 4.41Å; A1009-L1011 HydrophobicContact CB-CD2 4.12Å; A1009-L1011 HydrophobicContact CB-CG 3.93Å; A1009-L1011 PolarHBondContact O-N 3.13Å; L1011-I1013 VanDerWaalsContact C-N 3.31Å; L1011-I1013 PolarHBondContact O-N 3.25Å | ||
| 1012 | K | 70.8 | Confident | 62.5 | Low | 178 Ų | 178 | 101.4 Ų | 101.4 | 77% | 0.774 | 57% | 0.569 | S | S | * | * | trans | -79.9 | 76.3 | 174.4 | -68.5 | 176.8 | -176.3 | 165.1 | 0 | 110.3 | R1010 V1014 | R1010-K1012 PolarHBondContact O-N 3.36Å; K1012-V1014 PolarHBondContact O-N 3.2Å | ||
| 1013 | I | 64.5 | Low | 59.9 | Low | 57 Ų | 57 | 108.5 Ų | 108.5 | 29% | 0.292 | 61% | 0.606 | S | S | . | * | trans | -61 | 109.1 | 179.1 | -55.6 | 168.2 | 0 | 0 | 0 | 109.8 | Y990 Q1006 L1011 | Y990-I1013 HydrophobicContact CD1-CD1 4.06Å; Y990-I1013 HydrophobicContact CD1-CG1 4.47Å; Y990-I1013 HydrophobicContact CE1-CD1 3.34Å; Y990-I1013 HydrophobicContact CE1-CG1 4.14Å; Y990-I1013 HydrophobicContact CE2-CD1 3.86Å; Y990-I1013 WeakPolarHBondContact OH-CD1 3.27Å; Q1006-I1013 HydrophobicContact CG-CD1 3.89Å; L1011-I1013 VanDerWaalsContact C-N 3.31Å; L1011-I1013 PolarHBondContact O-N 3.25Å | ||
| 1014 | V | 58.3 | Low | 57.3 | Low | 100 Ų | 100 | 116.9 Ų | 116.9 | 61% | 0.606 | 63% | 0.632 | S | S | * | * | P | Polyproline II helix | trans | -81 | 124.4 | 169.5 | -176.4 | 0 | 0 | 0 | 0 | 108.2 | K1012 A1016 | K1012-V1014 PolarHBondContact O-N 3.2Å; V1014-A1016 PolarHBondContact O-N 3.37Å |
| 1015 | P | 49.5 | Very low | 54.5 | Low | 112 Ų | 112 | 121.1 Ų | 121.1 | 73% | 0.727 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 135 | 171.4 | -21.3 | 33.6 | 0 | 0 | 0 | 110.4 | A1017 | P1015-A1017 PolarHBondContact O-N 2.67Š|
| 1016 | A | 39.5 | Very low | 51.9 | Low | 99 Ų | 99 | 124.2 Ų | 124.2 | 82% | 0.818 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 120.3 | -177 | 0 | 0 | 0 | 0 | 0 | 111.6 | V1014 | V1014-A1016 PolarHBondContact O-N 3.37Š|
| 1017 | A | 30.7 | Very low | 49.4 | Very low | 90 Ų | 90 | 130.6 Ų | 130.6 | 74% | 0.744 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 151.7 | 165.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | P1015 | P1015-A1017 PolarHBondContact O-N 2.67Š|
| 1018 | P | 35.2 | Very low | 47.1 | Very low | 128 Ų | 128 | 127.9 Ų | 127.9 | 83% | 0.831 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 156.1 | -169.7 | -18 | 33.1 | 0 | 0 | 0 | 114.5 | ||
| 1019 | S | 31.3 | Very low | 44.6 | Very low | 111 Ų | 111 | 127.6 Ų | 127.6 | 78% | 0.776 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 130.3 | 168 | 45.2 | 0 | 0 | 0 | 0 | 112.4 | ||
| 1020 | Q | 30.8 | Very low | 42.5 | Very low | 189 Ų | 189 | 129.8 Ų | 129.8 | 88% | 0.883 | 69% | 0.694 | S | S | * | * | trans | 177.2 | 128.9 | 137.1 | -101.3 | 167.5 | 33 | 0 | 0 | 111.3 | ||||
| 1021 | L | 30 | Very low | 40.4 | Very low | 167 Ų | 167 | 126 Ų | 126 | 87% | 0.874 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -179 | 156.5 | 141.8 | -93.2 | 167.4 | 0 | 0 | 0 | 106.2 | ||
| 1022 | P | 32.1 | Very low | 38.6 | Very low | 119 Ų | 119 | 129.2 Ų | 129.2 | 77% | 0.773 | 73% | 0.733 | S | S | * | * | trans | -86.3 | 157.5 | -133.4 | -17.4 | 34.1 | 0 | 0 | 0 | 116.7 | ||||
| 1023 | L | 30.7 | Very low | 36.8 | Very low | 151 Ų | 151 | 127.3 Ų | 127.3 | 79% | 0.791 | 73% | 0.727 | S | S | * | * | trans | -57.8 | 142.8 | 162.2 | -66.8 | 151.2 | 0 | 0 | 0 | 110.6 | ||||
| 1024 | Y | 31.4 | Very low | 35.6 | Very low | 240 Ų | 240 | 131.1 Ų | 131.1 | 94% | 0.941 | 75% | 0.753 | S | S | * | * | trans | -120.9 | 120.3 | 136.6 | -117.2 | -87.8 | 0 | 0 | 0 | 107.6 | ||||
| 1025 | D | 31.3 | Very low | 34.6 | Very low | 130 Ų | 130 | 131.8 Ų | 131.8 | 70% | 0.695 | 76% | 0.759 | S | S | * | * | trans | -113.1 | 117.5 | -172.9 | -177.1 | 19.1 | 0 | 0 | 0 | 108 | ||||
| 1026 | D | 32 | Very low | 34 | Very low | 95 Ų | 95 | 132.8 Ų | 132.8 | 51% | 0.508 | 77% | 0.765 | S | S | . | * | trans | -165.9 | 94.8 | 146 | -164.9 | -2.4 | 0 | 0 | 0 | 110.7 | S1028 | D1026-S1028 VanDerWaalsContact C-N 3.31Å; D1026-S1028 WeakPolarHBondContact OD1-CA 3.29Å; D1026-S1028 WeakPolarHBondContact OD1-CB 3.36Å; D1026-S1028 PolarHBondContact OD1-N 3.11Å; D1026-S1028 PolarHBondContact OD1-OG 3.14Å | ||
| 1027 | F | 33.9 | Very low | 33.4 | Very low | 199 Ų | 199 | 137.8 Ų | 137.8 | 87% | 0.873 | 77% | 0.765 | S | S | * | * | trans | -94 | 20.2 | 169.2 | -98.1 | -82.7 | 0 | 0 | 0 | 112.8 | ||||
| 1028 | S | 37.6 | Very low | 33.4 | Very low | 99 Ų | 99 | 142.7 Ų | 142.7 | 69% | 0.692 | 77% | 0.772 | S | S | * | * | trans | -105.6 | -20.5 | -169.2 | -26.5 | 0 | 0 | 0 | 0 | 114.5 | D1026 | D1026-S1028 VanDerWaalsContact C-N 3.31Å; D1026-S1028 WeakPolarHBondContact OD1-CA 3.29Å; D1026-S1028 WeakPolarHBondContact OD1-CB 3.36Å; D1026-S1028 PolarHBondContact OD1-N 3.11Å; D1026-S1028 PolarHBondContact OD1-OG 3.14Å | ||
| 1029 | R | 34.6 | Very low | 33.1 | Very low | 154 Ų | 154 | 141.3 Ų | 141.3 | 58% | 0.581 | 76% | 0.763 | S | S | * | * | trans | -77.9 | 127.6 | -168.6 | -148.3 | 171.3 | -151.9 | -79.5 | -9.5 | 112.8 | E1033 | R1029-E1033 IonicContact CZ-OE2 3.81Å; R1029-E1033 VanDerWaalsContact CZ-OE2 3.28Å; R1029-E1033 IonicContact NH1-OE2 3.95Å; R1029-E1033 PolarHBondContact NH1-OE2 2.75Å; R1029-E1033 IonicContact NH2-OE2 3.45Å; R1029-E1033 PolarHBondContact NH2-OE2 2.98Å | ||
| 1030 | P | 35.7 | Very low | 33.2 | Very low | 83 Ų | 83 | 141.9 Ų | 141.9 | 54% | 0.539 | 77% | 0.767 | S | S | . | * | trans | -65 | 146.9 | 174.1 | -21.3 | 33.4 | 0 | 0 | 0 | 112.6 | G1032 | P1030-G1032 PolarHBondContact O-N 3.42Š| ||
| 1031 | P | 35.1 | Very low | 33.2 | Very low | 136 Ų | 136 | 139.2 Ų | 139.2 | 88% | 0.883 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.1 | 89.8 | 177.9 | 32 | -34.2 | 0 | 0 | 0 | 111 | ||
| 1032 | G | 34.9 | Very low | 33.2 | Very low | 76 Ų | 76 | 134.8 Ų | 134.8 | 78% | 0.784 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -153.4 | -27.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 117.2 | P1030 | P1030-G1032 PolarHBondContact O-N 3.42Š|
| 1033 | E | 34.3 | Very low | 33.2 | Very low | 139 Ų | 139 | 135.7 Ų | 135.7 | 65% | 0.65 | 77% | 0.767 | S | S | * | * | trans | -119.1 | 130.1 | -172.3 | -63.7 | 174.8 | 163.9 | 0 | 0 | 112.8 | R1029 | R1029-E1033 IonicContact CZ-OE2 3.81Å; R1029-E1033 VanDerWaalsContact CZ-OE2 3.28Å; R1029-E1033 IonicContact NH1-OE2 3.95Å; R1029-E1033 PolarHBondContact NH1-OE2 2.75Å; R1029-E1033 IonicContact NH2-OE2 3.45Å; R1029-E1033 PolarHBondContact NH2-OE2 2.98Å | ||
| 1034 | T | 39.8 | Very low | 33.2 | Very low | 137 Ų | 137 | 135.1 Ų | 135.1 | 84% | 0.84 | 77% | 0.769 | S | S | * | * | trans | -104.4 | 118.1 | 166.8 | 49.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1035 | P | 36.5 | Very low | 33 | Very low | 114 Ų | 114 | 131.7 Ų | 131.7 | 74% | 0.74 | 76% | 0.762 | S | S | * | * | trans | -73.3 | 160.5 | 173.1 | 30.9 | -34.4 | 0 | 0 | 0 | 112 | ||||
| 1036 | P | 35.9 | Very low | 33.1 | Very low | 132 Ų | 132 | 132.4 Ų | 132.4 | 86% | 0.857 | 77% | 0.77 | S | S | * | * | trans | -82.1 | 175.1 | -160.3 | -16.8 | 34 | 0 | 0 | 0 | 117.1 | ||||
| 1037 | Y | 27.2 | Very low | 33 | Very low | 205 Ų | 205 | 132.1 Ų | 132.1 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | trans | -71.8 | 135.7 | -176.7 | -169.6 | -89.7 | 0 | 0 | 0 | 114 | P1039 | Y1037-P1039 HydrophobicContact CE1-CG 3.82Š| ||
| 1038 | Q | 30.9 | Very low | 32.9 | Very low | 193 Ų | 193 | 127.7 Ų | 127.7 | 90% | 0.902 | 76% | 0.762 | S | S | * | * | trans | -158.3 | 130.7 | 150.4 | -114.6 | 174.4 | 23.2 | 0 | 0 | 111.4 | ||||
| 1039 | P | 30 | Very low | 32.7 | Very low | 98 Ų | 98 | 132.6 Ų | 132.6 | 64% | 0.636 | 77% | 0.766 | S | S | * | * | trans | -109.7 | 143.4 | -178 | 38 | -30.1 | 0 | 0 | 0 | 113.7 | Y1037 | Y1037-P1039 HydrophobicContact CE1-CG 3.82Š| ||
| 1040 | S | 32.4 | Very low | 32.7 | Very low | 123 Ų | 123 | 133.6 Ų | 133.6 | 86% | 0.86 | 78% | 0.782 | S | S | * | * | trans | -153.6 | 132.8 | 166.6 | 59.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1041 | S | 30.3 | Very low | 32.4 | Very low | 133 Ų | 133 | 136.6 Ų | 136.6 | 93% | 0.93 | 79% | 0.794 | S | S | * | * | trans | -75.9 | 151.8 | -176.3 | -61.1 | 0 | 0 | 0 | 0 | 114 | ||||
| 1042 | G | 30.6 | Very low | 32.4 | Very low | 74 Ų | 74 | 135.9 Ų | 135.9 | 76% | 0.763 | 79% | 0.787 | S | S | * | * | trans | -170.5 | 95.4 | 170 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1043 | V | 31.2 | Very low | 32.4 | Very low | 138 Ų | 138 | 136.6 Ų | 136.6 | 84% | 0.836 | 78% | 0.78 | S | S | * | * | trans | -95 | 128.9 | 173.5 | 176.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1044 | V | 31.7 | Very low | 32.5 | Very low | 139 Ų | 139 | 136.7 Ų | 136.7 | 84% | 0.842 | 79% | 0.79 | S | S | * | * | trans | -136.5 | 133.4 | 168.1 | -175.9 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1045 | H | 27.7 | Very low | 32.2 | Very low | 168 Ų | 168 | 136.6 Ų | 136.6 | 78% | 0.778 | 78% | 0.784 | S | S | * | * | trans | -68.6 | 160.2 | 175.1 | -82 | -115.9 | 0 | 0 | 0 | 112.3 | ||||
| 1046 | V | 32.5 | Very low | 32.3 | Very low | 145 Ų | 145 | 135.4 Ų | 135.4 | 88% | 0.879 | 78% | 0.779 | S | S | * | * | -170.8 | 147.2 | 111.8 | 145.5 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 1047 | S | 29.8 | Very low | 32.4 | Very low | 90 Ų | 90 | 139.6 Ų | 139.6 | 63% | 0.629 | 78% | 0.779 | S | S | * | * | trans | -91.3 | 166 | -177.5 | 50.7 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1048 | D | 31.4 | Very low | 32.7 | Very low | 106 Ų | 106 | 136.5 Ų | 136.5 | 57% | 0.567 | 78% | 0.776 | S | S | * | * | 169.5 | 172.2 | 113.4 | -84.4 | -5.1 | 0 | 0 | 0 | 113.3 | |||||
| 1049 | Y | 34.4 | Very low | 33 | Very low | 202 Ų | 202 | 131.8 Ų | 131.8 | 79% | 0.792 | 76% | 0.764 | S | S | * | * | trans | 73.1 | 69.1 | 160.9 | -48.4 | -57.7 | 0 | 0 | 0 | 119.2 | ||||
| 1050 | L | 33.6 | Very low | 33.4 | Very low | 175 Ų | 175 | 132.3 Ų | 132.3 | 92% | 0.916 | 77% | 0.771 | S | S | * | * | trans | -123.5 | 110.1 | 144.6 | -92.7 | 171.2 | 0 | 0 | 0 | 110.9 | ||||
| 1051 | N | 31.1 | Very low | 33.7 | Very low | 146 Ų | 146 | 131.7 Ų | 131.7 | 78% | 0.781 | 77% | 0.766 | S | S | * | * | trans | -107.3 | 153.4 | 156.3 | -84.9 | -41.3 | 0 | 0 | 0 | 106.9 | ||||
| 1052 | T | 34.4 | Very low | 34.1 | Very low | 120 Ų | 120 | 132.5 Ų | 132.5 | 74% | 0.736 | 75% | 0.753 | S | S | * | * | cis | -157.3 | 143.8 | 38.8 | -37.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1053 | S | 33.8 | Very low | 34.3 | Very low | 92 Ų | 92 | 139.1 Ų | 139.1 | 64% | 0.643 | 76% | 0.755 | S | S | * | * | trans | 39.7 | 131 | 155.2 | 62 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1054 | V | 36.3 | Very low | 34.4 | Very low | 141 Ų | 141 | 137.2 Ų | 137.2 | 86% | 0.855 | 74% | 0.74 | S | S | * | * | -136.4 | 152.8 | 71.5 | -165.8 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 1055 | D | 35.3 | Very low | 34.6 | Very low | 135 Ų | 135 | 139.9 Ų | 139.9 | 72% | 0.722 | 74% | 0.741 | S | S | * | * | trans | -73 | 164.5 | -164.2 | -46.1 | -75.3 | 0 | 0 | 0 | 118.2 | ||||
| 1056 | S | 38.1 | Very low | 34.9 | Very low | 89 Ų | 89 | 137.9 Ų | 137.9 | 62% | 0.622 | 74% | 0.736 | S | S | * | * | 121.9 | 99.2 | 126.6 | -74.2 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 1057 | Y | 36.8 | Very low | 35.1 | Very low | 219 Ų | 219 | 137.1 Ų | 137.1 | 86% | 0.859 | 73% | 0.731 | S | S | * | * | trans | 62.5 | 158.2 | 145.6 | -50.6 | -66.9 | 0 | 0 | 0 | 121.7 | ||||
| 1058 | N | 34.8 | Very low | 35.4 | Very low | 140 Ų | 140 | 139 Ų | 139 | 75% | 0.749 | 73% | 0.734 | S | S | * | * | cis | -168.2 | 166 | -45.1 | -156.5 | 0.2 | 0 | 0 | 0 | 109.8 | ||||
| 1059 | S | 37.6 | Very low | 35.5 | Very low | 94 Ų | 94 | 141.3 Ų | 141.3 | 66% | 0.657 | 74% | 0.742 | S | S | * | * | trans | 79.9 | 114.1 | 170.5 | -35.9 | 0 | 0 | 0 | 0 | 115 | ||||
| 1060 | S | 38.5 | Very low | 35.5 | Very low | 110 Ų | 110 | 135.3 Ų | 135.3 | 77% | 0.769 | 73% | 0.73 | S | S | * | * | cis | 78.8 | 147.7 | 43.3 | 94.8 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1061 | S | 38.2 | Very low | 35.6 | Very low | 110 Ų | 110 | 133.4 Ų | 133.4 | 77% | 0.769 | 73% | 0.726 | S | S | * | * | cis | -170.5 | -178.8 | -0.8 | 69.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 1062 | K | 37.9 | Very low | 35.8 | Very low | 150 Ų | 150 | 130.9 Ų | 130.9 | 65% | 0.652 | 72% | 0.719 | S | S | * | * | cis | -165.4 | 173.7 | -5.5 | -144.8 | -149.2 | 174 | -144.6 | 0 | 108.9 | D1064 | K1062-D1064 WeakPolarHBondContact CD-OD2 3.17Å; K1062-D1064 WeakPolarHBondContact CE-OD2 3.31Å; K1062-D1064 IonicContact NZ-OD2 3.52Å; K1062-D1064 PolarHBondContact NZ-OD2 2.88Å | ||
| 1063 | R | 34.9 | Very low | 35.8 | Very low | 213 Ų | 213 | 133.5 Ų | 133.5 | 80% | 0.804 | 73% | 0.725 | S | S | * | * | trans | 102.1 | 112 | 169 | -65.6 | 168.7 | -85.2 | -160.1 | -5.2 | 114.4 | ||||
| 1064 | D | 34.4 | Very low | 35.6 | Very low | 97 Ų | 97 | 135.2 Ų | 135.2 | 52% | 0.519 | 73% | 0.732 | S | S | . | * | cis | 81.2 | 124.2 | 29 | -36.3 | -49.1 | 0 | 0 | 0 | 115.3 | K1062 | K1062-D1064 WeakPolarHBondContact CD-OD2 3.17Å; K1062-D1064 WeakPolarHBondContact CE-OD2 3.31Å; K1062-D1064 IonicContact NZ-OD2 3.52Å; K1062-D1064 PolarHBondContact NZ-OD2 2.88Å | ||
| 1065 | F | 35 | Very low | 35.6 | Very low | 195 Ų | 195 | 133.6 Ų | 133.6 | 86% | 0.855 | 73% | 0.727 | S | S | * | * | -175.2 | 152.7 | 118.6 | -109.8 | -72.9 | 0 | 0 | 0 | 113.3 | |||||
| 1066 | D | 35 | Very low | 35.5 | Very low | 127 Ų | 127 | 134.5 Ų | 134.5 | 68% | 0.679 | 73% | 0.731 | S | S | * | * | trans | -105.8 | 173.6 | -161.9 | -37 | -100.3 | 0 | 0 | 0 | 115.5 | ||||
| 1067 | T | 35.3 | Very low | 35 | Very low | 128 Ų | 128 | 135.6 Ų | 135.6 | 79% | 0.785 | 74% | 0.738 | S | S | * | * | 177 | 131.1 | 116 | 27 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 1068 | N | 36 | Very low | 34.8 | Very low | 129 Ų | 129 | 133.5 Ų | 133.5 | 69% | 0.69 | 74% | 0.736 | S | S | * | * | trans | 40.7 | 152.9 | 133.8 | -61.4 | 42.8 | 0 | 0 | 0 | 122.2 | ||||
| 1069 | E | 34.1 | Very low | 34.7 | Very low | 155 Ų | 155 | 133.2 Ų | 133.2 | 72% | 0.724 | 73% | 0.734 | S | S | * | * | cis | -179.4 | 178.3 | -6.1 | -104.1 | -165.2 | -89.7 | 0 | 0 | 108.5 | ||||
| 1070 | S | 35.5 | Very low | 34.5 | Very low | 77 Ų | 77 | 136.1 Ų | 136.1 | 54% | 0.538 | 74% | 0.741 | S | S | . | * | cis | -171.1 | 161.8 | -16.5 | -105.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1071 | T | 34.9 | Very low | 34.1 | Very low | 135 Ų | 135 | 133.9 Ų | 133.9 | 83% | 0.828 | 74% | 0.735 | S | S | * | * | trans | 63.8 | 158.2 | 155.1 | 50.2 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 1072 | S | 34.6 | Very low | 34.4 | Very low | 92 Ų | 92 | 134.2 Ų | 134.2 | 64% | 0.643 | 74% | 0.735 | S | S | * | * | cis | -179.1 | 157.5 | -23.1 | 59.7 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1073 | M | 34 | Very low | 34.2 | Very low | 176 Ų | 176 | 134.2 Ų | 134.2 | 87% | 0.867 | 74% | 0.742 | S | S | * | * | trans | 97 | 112.4 | 146 | -55.4 | -130.2 | -178.1 | 0 | 0 | 126.1 | ||||
| 1074 | V | 31.2 | Very low | 34.3 | Very low | 128 Ų | 128 | 129 Ų | 129 | 78% | 0.776 | 74% | 0.739 | S | S | * | * | trans | 5 | 139.7 | 139.6 | -137.4 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 1075 | S | 35.3 | Very low | 34.3 | Very low | 107 Ų | 107 | 130.6 Ų | 130.6 | 75% | 0.748 | 75% | 0.747 | S | S | * | * | 149.2 | 137.1 | 109.2 | 62.4 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 1076 | N | 32.9 | Very low | 34.4 | Very low | 153 Ų | 153 | 126 Ų | 126 | 82% | 0.818 | 73% | 0.731 | S | S | * | * | trans | 50.4 | 113.2 | 143.1 | -65.6 | 15 | 0 | 0 | 0 | 128 | ||||
| 1077 | C | 28.2 | Very low | 34.5 | Very low | 113 Ų | 113 | 123.4 Ų | 123.4 | 76% | 0.764 | 72% | 0.717 | S | S | * | * | 69.9 | 156.7 | 110.8 | -121.1 | 0 | 0 | 0 | 0 | 126.8 | |||||
| 1078 | E | 33.2 | Very low | 34.5 | Very low | 175 Ų | 175 | 121.3 Ų | 121.3 | 82% | 0.818 | 71% | 0.705 | S | S | * | * | trans | 73.6 | 150.8 | 157.9 | -71.7 | 175.4 | -142.6 | 0 | 0 | 121.3 | ||||
| 1079 | N | 31.8 | Very low | 34.3 | Very low | 134 Ų | 134 | 118 Ų | 118 | 72% | 0.717 | 69% | 0.689 | S | S | * | * | cis | -171.1 | 165.1 | -30.4 | -146.6 | -15.5 | 0 | 0 | 0 | 113 | ||||
| 1080 | I | 33.5 | Very low | 34.3 | Very low | 154 Ų | 154 | 117.3 Ų | 117.3 | 79% | 0.79 | 69% | 0.69 | S | S | * | * | trans | 79.9 | 144 | 156.8 | -60.6 | 155.8 | 0 | 0 | 0 | 121.6 | ||||
| 1081 | G | 31.1 | Very low | 34.1 | Very low | 64 Ų | 64 | 119.1 Ų | 119.1 | 66% | 0.66 | 70% | 0.698 | S | S | * | * | trans | -112 | -137.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1082 | P | 43.6 | Very low | 33.7 | Very low | 117 Ų | 117 | 119.6 Ų | 119.6 | 76% | 0.76 | 71% | 0.706 | S | S | * | * | cis | -150.5 | -170.4 | 5.4 | 47.4 | -27.3 | 0 | 0 | 0 | 119 | ||||
| 1083 | N | 34.4 | Very low | 33.5 | Very low | 149 Ų | 149 | 118.8 Ų | 118.8 | 80% | 0.797 | 71% | 0.711 | S | S | * | * | trans | 93.6 | 138.7 | 147.4 | -76 | 7.7 | 0 | 0 | 0 | 125.8 | ||||
| 1084 | S | 35.5 | Very low | 33.3 | Very low | 105 Ų | 105 | 119.2 Ų | 119.2 | 73% | 0.734 | 71% | 0.712 | S | S | * | * | trans | 85.2 | 154 | 163.5 | -68.5 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1085 | D | 35.7 | Very low | 33.3 | Very low | 129 Ų | 129 | 120.5 Ų | 120.5 | 69% | 0.69 | 71% | 0.713 | S | S | * | * | cis | -177.5 | 162 | -17 | -104.7 | 91.6 | 0 | 0 | 0 | 107.6 | ||||
| 1086 | N | 36.6 | Very low | 33.2 | Very low | 99 Ų | 99 | 121 Ų | 121 | 53% | 0.529 | 71% | 0.714 | S | S | . | * | cis | -170.9 | 174.2 | -26.9 | -136.7 | -35.4 | 0 | 0 | 0 | 113.8 | ||||
| 1087 | N | 36 | Very low | 33.3 | Very low | 72 Ų | 72 | 119 Ų | 119 | 39% | 0.385 | 71% | 0.709 | S | S | . | * | trans | 74.9 | 141.8 | 160.8 | -73.3 | 13.1 | 0 | 0 | 0 | 126.2 | N1671 I1673 | N1087-N1671 CarbonylContact C-O 3.42Å; N1087-N1671 VanDerWaalsContact CA-O 3.32Å; N1087-N1671 WeakPolarHBondContact CA-O 3.47Å; N1087-N1671 PolarHBondContact OD1-O 3.49Å; N1087-I1673 VanDerWaalsContact O-CG1 3.28Å; N1087-I1673 WeakPolarHBondContact O-CG1 3.42Å | ||
| 1088 | T | 37 | Very low | 33.4 | Very low | 85 Ų | 85 | 119.1 Ų | 119.1 | 52% | 0.521 | 71% | 0.706 | S | S | . | * | B | Isolated β-bridge | trans | 86.1 | 113.7 | 174.1 | 68.6 | 0 | 0 | 0 | 0 | 125.1 | N1671 I1673 | T1088-N1671 WeakPolarHBondContact CA-O 3.43Å; T1088-N1671 VanDerWaalsContact CA-OD1 3.28Å; T1088-N1671 WeakPolarHBondContact CA-OD1 3.3Å; T1088-N1671 HydrophobicContact CG2-CB 4.32Å; T1088-N1671 PolarHBondContact N-O 3.36Å; T1088-I1673 WeakPolarHBondContact O-CA 3.33Å; T1088-I1673 PolarHBondContact O-N 3.06Å |
| 1089 | T | 31.8 | Very low | 33.3 | Very low | 60 Ų | 60 | 116.5 Ų | 116.5 | 37% | 0.368 | 71% | 0.705 | S | S | . | * | trans | -112.4 | 146.1 | 177.5 | 41.5 | 0 | 0 | 0 | 0 | 114.6 | N1671 P1672 | T1089-N1671 PolarHBondContact N-OD1 3.16Å; T1089-N1671 PolarHBondContact O-OD1 3.17Å; T1089-N1671 VanDerWaalsContact O-OD1 3.11Å; T1089-N1671 WeakPolarHBondContact OG1-CA 3.41Å; T1089-N1671 PolarHBondContact OG1-OD1 3.25Å; T1089-P1672 WeakPolarHBondContact CG2-O 3.07Å | ||
| 1090 | N | 33.5 | Very low | 33.1 | Very low | 139 Ų | 139 | 117.1 Ų | 117.1 | 74% | 0.743 | 71% | 0.708 | S | S | * | * | trans | 161.7 | 169.8 | 130.8 | -83.3 | 0.8 | 0 | 0 | 0 | 112.4 | ||||
| 1091 | T | 32 | Very low | 33 | Very low | 115 Ų | 115 | 118.2 Ų | 118.2 | 71% | 0.706 | 71% | 0.714 | S | S | * | * | -165.1 | 127 | -57.5 | 38.7 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 1092 | C | 25.5 | Very low | 32.9 | Very low | 146 Ų | 146 | 126.6 Ų | 126.6 | 99% | 0.986 | 73% | 0.726 | S | S | * | * | trans | 57.5 | 136.1 | 164.9 | -73.8 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 1093 | G | 31.3 | Very low | 32.1 | Very low | 74 Ų | 74 | 126.2 Ų | 126.2 | 76% | 0.763 | 72% | 0.717 | S | S | * | * | trans | 145.6 | 63.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 1094 | E | 28.7 | Very low | 31.7 | Very low | 186 Ų | 186 | 124.9 Ų | 124.9 | 87% | 0.869 | 72% | 0.715 | S | S | * | * | 87.1 | 98.3 | 81.7 | -169.9 | 156.3 | -133.2 | 0 | 0 | 112.3 | |||||
| 1095 | L | 30.8 | Very low | 31.3 | Very low | 155 Ų | 155 | 129.2 Ų | 129.2 | 81% | 0.812 | 72% | 0.72 | S | S | * | * | trans | -80.8 | 153.3 | 175.5 | -78.1 | 160 | 0 | 0 | 0 | 110.9 | P1097 | L1095-P1097 WeakPolarHBondContact O-CD 3.35Š| ||
| 1096 | P | 33.4 | Very low | 31 | Very low | 117 Ų | 117 | 129.8 Ų | 129.8 | 76% | 0.76 | 72% | 0.722 | S | S | * | * | trans | -58.8 | 120.7 | -176.1 | 22.4 | -33.4 | 0 | 0 | 0 | 112.2 | T1098 | P1096-T1098 PolarHBondContact O-N 3.33Š| ||
| 1097 | P | 35.3 | Very low | 30.7 | Very low | 110 Ų | 110 | 134.9 Ų | 134.9 | 71% | 0.714 | 73% | 0.734 | S | S | * | * | trans | -87.9 | 113.1 | -166.4 | 31.6 | -34.6 | 0 | 0 | 0 | 113.4 | L1095 P1099 | L1095-P1097 WeakPolarHBondContact O-CD 3.35Å; P1097-P1099 WeakPolarHBondContact O-CD 3.47Å | ||
| 1098 | T | 30.1 | Very low | 30.4 | Very low | 116 Ų | 116 | 138.5 Ų | 138.5 | 71% | 0.712 | 75% | 0.748 | S | S | * | * | trans | -71.3 | 119.4 | 162.3 | 54.5 | 0 | 0 | 0 | 0 | 109.8 | P1096 N1100 | P1096-T1098 PolarHBondContact O-N 3.33Å; T1098-N1100 PolarHBondContact O-N 2.67Å | ||
| 1099 | P | 30.7 | Very low | 30 | Very low | 120 Ų | 120 | 141.4 Ų | 141.4 | 78% | 0.779 | 76% | 0.76 | S | S | * | * | trans | -78.5 | 90.9 | -161.5 | 29 | -35.9 | 0 | 0 | 0 | 114.1 | P1097 | P1097-P1099 WeakPolarHBondContact O-CD 3.47Š| ||
| 1100 | N | 28.4 | Very low | 30 | Very low | 148 Ų | 148 | 142.9 Ų | 142.9 | 79% | 0.791 | 78% | 0.778 | S | S | * | * | trans | -102.9 | 74.8 | 171.2 | -86.5 | -78.9 | 0 | 0 | 0 | 112.2 | T1098 R1102 | T1098-N1100 PolarHBondContact O-N 2.67Å; N1100-R1102 PolarHBondContact O-N 2.69Å | ||
| 1101 | L | 31.3 | Very low | 29.9 | Very low | 176 Ų | 176 | 142.8 Ų | 142.8 | 92% | 0.921 | 78% | 0.783 | S | S | * | * | trans | -77.7 | 91.4 | 178.8 | -85.7 | 167.3 | 0 | 0 | 0 | 113 | ||||
| 1102 | R | 29.3 | Very low | 30 | Very low | 241 Ų | 241 | 142.9 Ų | 142.9 | 91% | 0.909 | 79% | 0.785 | S | S | * | * | trans | -91 | 129.7 | 159.9 | -87.8 | -175.3 | 172.2 | 161.3 | 0.3 | 111.1 | N1100 | N1100-R1102 PolarHBondContact O-N 2.69Š| ||
| 1103 | L | 25.7 | Very low | 30.3 | Very low | 109 Ų | 109 | 141.1 Ų | 141.1 | 57% | 0.571 | 78% | 0.775 | S | S | * | * | trans | -73.4 | 136.2 | 168.3 | -142.8 | 77.5 | 0 | 0 | 0 | 110.1 | D961 | D961-L1103 WeakPolarHBondContact OD2-CB 3.32Š| ||
| 1104 | T | 27.3 | Very low | 30.4 | Very low | 121 Ų | 121 | 145.6 Ų | 145.6 | 74% | 0.742 | 78% | 0.776 | S | S | * | * | 172.8 | 129.8 | 118.5 | 31.3 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 1105 | K | 26.2 | Very low | 30.5 | Very low | 196 Ų | 196 | 143.6 Ų | 143.6 | 85% | 0.852 | 78% | 0.777 | S | S | * | * | trans | 11.5 | 135.4 | 149.6 | -64.1 | 172.5 | 175.9 | 171.9 | 0 | 120 | ||||
| 1106 | I | 30.6 | Very low | 30.5 | Very low | 141 Ų | 141 | 141.6 Ų | 141.6 | 72% | 0.723 | 77% | 0.773 | S | S | * | * | -162.4 | 121.1 | 120.3 | -104.4 | 153.3 | 0 | 0 | 0 | 114.4 | |||||
| 1107 | R | 29 | Very low | 30.3 | Very low | 206 Ų | 206 | 146 Ų | 146 | 78% | 0.777 | 78% | 0.78 | S | S | * | * | trans | 33.7 | 122.6 | 142.9 | -67.7 | -179.3 | 153.3 | 159.6 | -2.4 | 124.9 | ||||
| 1108 | H | 30.5 | Very low | 30.1 | Very low | 148 Ų | 148 | 146.2 Ų | 146.2 | 69% | 0.685 | 78% | 0.782 | S | S | * | * | 82.4 | 121.7 | 118.6 | -71.7 | -49.7 | 0 | 0 | 0 | 124.7 | |||||
| 1109 | N | 28.5 | Very low | 30 | Very low | 146 Ų | 146 | 146.3 Ų | 146.3 | 78% | 0.781 | 79% | 0.785 | S | S | * | * | 109.4 | 146.2 | 125.4 | -74.1 | -1.3 | 0 | 0 | 0 | 121.7 | |||||
| 1110 | A | 31.6 | Very low | 29.8 | Very low | 90 Ų | 90 | 151 Ų | 151 | 74% | 0.744 | 79% | 0.788 | S | S | * | * | trans | 76.8 | 136.9 | 163 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1111 | T | 31.3 | Very low | 30 | Very low | 137 Ų | 137 | 150.7 Ų | 150.7 | 84% | 0.84 | 79% | 0.786 | S | S | * | * | cis | -162.8 | 170.3 | -34.4 | 7.2 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1112 | P | 35.5 | Very low | 29.7 | Very low | 117 Ų | 117 | 151.5 Ų | 151.5 | 76% | 0.76 | 78% | 0.777 | S | S | * | * | trans | -118.9 | 169.6 | -141.6 | 43.8 | -39.1 | 0 | 0 | 0 | 119.1 | ||||
| 1113 | S | 31.5 | Very low | 29.8 | Very low | 110 Ų | 110 | 150 Ų | 150 | 77% | 0.769 | 78% | 0.777 | S | S | * | * | trans | -149.9 | 104 | 155.3 | -169.5 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1114 | Q | 32.1 | Very low | 30 | Very low | 168 Ų | 168 | 152.1 Ų | 152.1 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | 76.6 | 78.4 | 81.9 | -74.2 | -163.9 | 85.1 | 0 | 0 | 117.3 | |||||
| 1115 | T | 31.5 | Very low | 29.9 | Very low | 144 Ų | 144 | 158 Ų | 158 | 88% | 0.883 | 79% | 0.793 | S | S | * | * | trans | -144.8 | 105.5 | 142.8 | 49.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 1116 | P | 29.7 | Very low | 30.1 | Very low | 113 Ų | 113 | 154.7 Ų | 154.7 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | trans | -108.3 | 146 | -179 | 36.8 | -30.6 | 0 | 0 | 0 | 114.2 | ||||
| 1117 | K | 30.9 | Very low | 30.1 | Very low | 210 Ų | 210 | 151.3 Ų | 151.3 | 91% | 0.913 | 79% | 0.791 | S | S | * | * | trans | -162.3 | 155.2 | 146.2 | -108.3 | 149.6 | -172.4 | 176.1 | 0 | 113.1 | ||||
| 1118 | P | 29.9 | Very low | 30 | Very low | 114 Ų | 114 | 149.2 Ų | 149.2 | 74% | 0.74 | 80% | 0.795 | S | S | * | * | trans | -134 | 161.9 | -161.1 | 41.8 | -25.4 | 0 | 0 | 0 | 117.1 | ||||
| 1119 | C | 28.2 | Very low | 29.7 | Very low | 117 Ų | 117 | 146.9 Ų | 146.9 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | trans | 175.1 | 140.9 | 139.5 | -99.6 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1120 | R | 27.3 | Very low | 29.7 | Very low | 219 Ų | 219 | 147.1 Ų | 147.1 | 83% | 0.826 | 79% | 0.794 | S | S | * | * | 60 | 108.8 | 50.6 | -76.3 | -172.1 | 169.4 | 175.8 | -2.8 | 111.9 | |||||
| 1121 | D | 31.7 | Very low | 29.6 | Very low | 142 Ų | 142 | 149.8 Ų | 149.8 | 76% | 0.759 | 80% | 0.795 | S | S | * | * | -133.5 | 161.8 | 51.7 | -79.7 | -43.9 | 0 | 0 | 0 | 113.1 | |||||
| 1122 | R | 26 | Very low | 29.5 | Very low | 193 Ų | 193 | 154.8 Ų | 154.8 | 73% | 0.728 | 80% | 0.8 | S | S | * | * | cis | 88.5 | 71.1 | 26.9 | -154.3 | -170.4 | -165.1 | -161.3 | 0.3 | 115.3 | ||||
| 1123 | F | 31.4 | Very low | 29.2 | Very low | 209 Ų | 209 | 156.9 Ų | 156.9 | 92% | 0.917 | 80% | 0.804 | S | S | * | * | trans | -114.3 | 158.8 | 145 | -94.5 | -82.9 | 0 | 0 | 0 | 110.9 | ||||
| 1124 | E | 29.9 | Very low | 29.2 | Very low | 154 Ų | 154 | 160.3 Ų | 160.3 | 72% | 0.72 | 81% | 0.805 | S | S | * | * | trans | -106.9 | 147.5 | -145.9 | -58.8 | -175.6 | 120.8 | 0 | 0 | 114.6 | P1126 | E1124-P1126 WeakPolarHBondContact O-CD 3.48Š| ||
| 1125 | R | 25 | Very low | 29.1 | Very low | 244 Ų | 244 | 158.3 Ų | 158.3 | 92% | 0.921 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -85.2 | 120.1 | 163 | -72.3 | -179.3 | 175.5 | 176.9 | -2.3 | 109.8 | ||
| 1126 | P | 31.1 | Very low | 29.1 | Very low | 127 Ų | 127 | 158.4 Ų | 158.4 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 139.7 | 156.4 | -18.9 | 33.2 | 0 | 0 | 0 | 109.8 | E1124 | E1124-P1126 WeakPolarHBondContact O-CD 3.48Š|
| 1127 | G | 29.3 | Very low | 29.3 | Very low | 70 Ų | 70 | 158.1 Ų | 158.1 | 72% | 0.722 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 150.6 | -170.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | P1129 | G1127-P1129 WeakPolarHBondContact O-CD 3.31Š|
| 1128 | L | 26.3 | Very low | 29.1 | Very low | 161 Ų | 161 | 154.8 Ų | 154.8 | 84% | 0.843 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 135.2 | 166.2 | -76.6 | 143.2 | 0 | 0 | 0 | 112.4 | ||
| 1129 | P | 25.4 | Very low | 29.3 | Very low | 99 Ų | 99 | 157 Ų | 157 | 64% | 0.643 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -96.7 | 121.3 | 143.2 | 32.5 | -26.3 | 0 | 0 | 0 | 109.9 | G1127 L1131 | G1127-P1129 WeakPolarHBondContact O-CD 3.31Å; P1129-L1131 HydrophobicContact CB-CD1 4.47Å; P1129-L1131 PolarHBondContact O-N 3.4Å |
| 1130 | N | 27.2 | Very low | 29.8 | Very low | 151 Ų | 151 | 157 Ų | 157 | 81% | 0.807 | 80% | 0.798 | S | S | * | * | trans | -64.8 | 101.8 | 174.8 | -73.1 | -36.4 | 0 | 0 | 0 | 110.9 | ||||
| 1131 | L | 30.3 | Very low | 30.2 | Very low | 147 Ų | 147 | 153.5 Ų | 153.5 | 77% | 0.77 | 80% | 0.8 | S | S | * | * | trans | -130.9 | 25 | 179.4 | -70.9 | 176.7 | 0 | 0 | 0 | 114.3 | P1129 L1133 | P1129-L1131 HydrophobicContact CB-CD1 4.47Å; P1129-L1131 PolarHBondContact O-N 3.4Å; L1131-L1133 PolarHBondContact O-N 3.34Å | ||
| 1132 | Y | 28.5 | Very low | 30.9 | Very low | 241 Ų | 241 | 151.1 Ų | 151.1 | 95% | 0.945 | 79% | 0.794 | S | S | * | * | trans | -80 | 67.1 | 166.9 | -84.2 | -83.2 | 0 | 0 | 0 | 112 | ||||
| 1133 | L | 31.1 | Very low | 32.2 | Very low | 161 Ų | 161 | 149.5 Ų | 149.5 | 84% | 0.843 | 80% | 0.795 | S | S | * | * | trans | -126.2 | 91.5 | 160.7 | -81.8 | 173.4 | 0 | 0 | 0 | 108.6 | L1131 | L1131-L1133 PolarHBondContact O-N 3.34Š| ||
| 1134 | K | 31.4 | Very low | 34.1 | Very low | 183 Ų | 183 | 147.1 Ų | 147.1 | 80% | 0.796 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 131.5 | 170 | -144.1 | 171.7 | -171.9 | 175.4 | 0 | 107.4 | I1136 | K1134-I1136 PolarHBondContact O-N 3.26Š|
| 1135 | P | 30 | Very low | 36.6 | Very low | 125 Ų | 125 | 142.9 Ų | 142.9 | 81% | 0.812 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 125.1 | -171.2 | -25.2 | 34.3 | 0 | 0 | 0 | 112.3 | S1137 | P1135-S1137 PolarHBondContact O-N 3Š|
| 1136 | I | 30.8 | Very low | 39.4 | Very low | 147 Ų | 147 | 135.8 Ų | 135.8 | 75% | 0.754 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 124.8 | 167.9 | -68.3 | 173.5 | 0 | 0 | 0 | 107.7 | K1134 T1138 | K1134-I1136 PolarHBondContact O-N 3.26Å; I1136-T1138 PolarHBondContact O-N 3.27Å |
| 1137 | S | 32.8 | Very low | 41.8 | Very low | 106 Ų | 106 | 131.8 Ų | 131.8 | 74% | 0.741 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 126.8 | 171.3 | -173.2 | 0 | 0 | 0 | 0 | 109.2 | P1135 Q1139 | P1135-S1137 PolarHBondContact O-N 3Å; S1137-Q1139 PolarHBondContact O-N 3.23Å |
| 1138 | T | 27.4 | Very low | 44.3 | Very low | 140 Ų | 140 | 131.5 Ų | 131.5 | 86% | 0.859 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -34.7 | 92.8 | -163.6 | 52.2 | 0 | 0 | 0 | 0 | 115.6 | I1136 | I1136-T1138 PolarHBondContact O-N 3.27Š|
| 1139 | Q | 34.4 | Very low | 47.1 | Very low | 160 Ų | 160 | 127.1 Ų | 127.1 | 75% | 0.748 | 69% | 0.687 | S | S | * | * | trans | -123.4 | 140.5 | 157.7 | -67.4 | -168.5 | -0.5 | 0 | 0 | 107.8 | S1137 | S1137-Q1139 PolarHBondContact O-N 3.23Š| ||
| 1140 | P | 37.9 | Very low | 49.9 | Very low | 119 Ų | 119 | 123.2 Ų | 123.2 | 77% | 0.773 | 66% | 0.661 | S | S | * | * | trans | -62.5 | 147 | -176.7 | 26.5 | -34.4 | 0 | 0 | 0 | 110.7 | S1142 | P1140-S1142 VanDerWaalsContact C-N 3.31Å; P1140-S1142 PolarHBondContact O-N 3.38Å | ||
| 1141 | V | 37.2 | Very low | 52.7 | Low | 145 Ų | 145 | 119.9 Ų | 119.9 | 88% | 0.879 | 64% | 0.641 | S | S | * | * | trans | -60.7 | 95 | 175.8 | 179.5 | 0 | 0 | 0 | 0 | 108.4 | E1143 | V1141-E1143 PolarHBondContact O-N 3Š| ||
| 1142 | S | 44.9 | Very low | 55.1 | Low | 91 Ų | 91 | 116.7 Ų | 116.7 | 64% | 0.636 | 63% | 0.63 | S | S | * | * | trans | -74.6 | 111.7 | -172.8 | -173.7 | 0 | 0 | 0 | 0 | 108.6 | P1140 K1148 | P1140-S1142 VanDerWaalsContact C-N 3.31Å; P1140-S1142 PolarHBondContact O-N 3.38Å; S1142-K1148 VanDerWaalsContact CB-NZ 3.33Å; S1142-K1148 PolarHBondContact O-NZ 3Å; S1142-K1148 PolarHBondContact OG-NZ 2.63Å | ||
| 1143 | E | 54.5 | Low | 57.8 | Low | 159 Ų | 159 | 111.2 Ų | 111.2 | 74% | 0.743 | 61% | 0.612 | S | S | * | * | trans | -50.1 | 150.1 | -168.8 | -60.8 | 178.5 | 141.7 | 0 | 0 | 114 | V1141 T1145 K1148 | V1141-E1143 PolarHBondContact O-N 3Å; E1143-T1145 VanDerWaalsContact C-N 3.29Å; E1143-T1145 PolarHBondContact O-N 2.93Å; E1143-K1148 PolarHBondContact O-NZ 2.88Å | ||
| 1144 | M | 71.8 | Confident | 60.5 | Low | 160 Ų | 160 | 103.7 Ų | 103.7 | 79% | 0.788 | 57% | 0.572 | S | S | * | * | trans | -73.4 | 78.7 | -177.4 | -171.1 | 65.6 | 150.4 | 0 | 0 | 110.8 | V1149 | M1144-V1149 HydrophobicContact CE-CG2 3.97Å; M1144-V1149 HydrophobicContact CG-CG2 4.25Å; M1144-V1149 HydrophobicContact SD-CG2 4.18Å | ||
| 1145 | T | 81.1 | Confident | 63 | Low | 64 Ų | 64 | 98.1 Ų | 98.1 | 39% | 0.393 | 55% | 0.551 | S | S | . | * | trans | -74.5 | 150.9 | 178.5 | 57.8 | 0 | 0 | 0 | 0 | 111.6 | E1143 S1147 K1148 V1149 | E1143-T1145 VanDerWaalsContact C-N 3.29Å; E1143-T1145 PolarHBondContact O-N 2.93Å; T1145-S1147 PolarHBondContact O-N 3.02Å; T1145-K1148 PolarHBondContact O-N 3.28Å; T1145-V1149 PolarHBondContact O-N 3.38Å | ||
| 1146 | L | 83.1 | Confident | 65.6 | Low | 96 Ų | 96 | 97.7 Ų | 97.7 | 50% | 0.503 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -53.9 | -37.8 | 176 | -178.5 | 58.9 | 0 | 0 | 0 | 112.1 | L985 I989 K1148 V1149 V1150 | L985-L1146 HydrophobicContact CD1-CD2 4.31Å; L985-L1146 HydrophobicContact CD2-CD2 3.99Å; L985-L1146 HydrophobicContact CD2-CG 4.23Å; L985-L1146 HydrophobicContact CG-CD2 4.47Å; I989-L1146 HydrophobicContact CD1-CD2 4.11Å; L1146-K1148 PolarHBondContact O-N 2.97Å; L1146-V1149 WeakPolarHBondContact O-CB 3.3Å; L1146-V1149 PolarHBondContact O-N 2.8Å; L1146-V1149 VanDerWaalsContact O-N 3.14Å; L1146-V1150 HydrophobicContact CD1-CG2 4.46Å; L1146-V1150 WeakPolarHBondContact O-CG2 3.45Å; L1146-V1150 PolarHBondContact O-N 2.89Å |
| 1147 | S | 82 | Confident | 68.1 | Low | 42 Ų | 42 | 92.3 Ų | 92.3 | 29% | 0.294 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -55.4 | -45.9 | 175 | -50 | 0 | 0 | 0 | 0 | 112.9 | T1145 V1149 V1150 E1151 | T1145-S1147 PolarHBondContact O-N 3.02Å; S1147-V1149 VanDerWaalsContact C-N 3.32Å; S1147-V1149 PolarHBondContact O-N 3.02Å; S1147-V1150 PolarHBondContact O-N 3.12Å; S1147-E1151 WeakPolarHBondContact O-CB 3.46Å; S1147-E1151 VanDerWaalsContact O-CG 3.24Å; S1147-E1151 WeakPolarHBondContact O-CG 3.45Å; S1147-E1151 PolarHBondContact O-N 3.33Å |
| 1148 | K | 82.2 | Confident | 70.7 | Confident | 65 Ų | 65 | 87.3 Ų | 87.3 | 28% | 0.283 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -65.7 | -34.1 | 177.4 | -71.1 | 171.2 | -177.1 | 164.1 | 0 | 112.7 | S1142 E1143 T1145 L1146 S1152 | S1142-K1148 VanDerWaalsContact CB-NZ 3.33Å; S1142-K1148 PolarHBondContact O-NZ 3Å; S1142-K1148 PolarHBondContact OG-NZ 2.63Å; E1143-K1148 PolarHBondContact O-NZ 2.88Å; T1145-K1148 PolarHBondContact O-N 3.28Å; L1146-K1148 PolarHBondContact O-N 2.97Å; K1148-S1152 WeakPolarHBondContact O-CB 3.39Å; K1148-S1152 PolarHBondContact O-N 3.11Å |
| 1149 | V | 84.5 | Confident | 73.3 | Confident | 69 Ų | 69 | 83.6 Ų | 83.6 | 42% | 0.418 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -67.3 | -43.8 | 176.5 | -178.3 | 0 | 0 | 0 | 0 | 110.2 | M1144 T1145 L1146 S1147 S1152 F1153 | M1144-V1149 HydrophobicContact CE-CG2 3.97Å; M1144-V1149 HydrophobicContact CG-CG2 4.25Å; M1144-V1149 HydrophobicContact SD-CG2 4.18Å; T1145-V1149 PolarHBondContact O-N 3.38Å; L1146-V1149 WeakPolarHBondContact O-CB 3.3Å; L1146-V1149 PolarHBondContact O-N 2.8Å; L1146-V1149 VanDerWaalsContact O-N 3.14Å; S1147-V1149 VanDerWaalsContact C-N 3.32Å; S1147-V1149 PolarHBondContact O-N 3.02Å; V1149-S1152 PolarHBondContact O-N 3.46Å; V1149-F1153 WeakPolarHBondContact O-CB 3.3Å; V1149-F1153 PolarHBondContact O-N 3.25Å |
| 1150 | V | 85.6 | Confident | 75.6 | Confident | 17 Ų | 17 | 82.3 Ų | 82.3 | 10% | 0.103 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -64 | -48.5 | 174.5 | 174.2 | 0 | 0 | 0 | 0 | 111 | W980 L985 L1146 S1147 S1152 F1153 L1154 L1173 | W980-V1150 HydrophobicContact CD2-CG1 3.74Å; W980-V1150 HydrophobicContact CE3-CG1 4.29Å; W980-V1150 HydrophobicContact CG-CG1 3.91Å; W980-V1150 HydrophobicContact CZ2-CB 4.39Å; W980-V1150 HydrophobicContact CZ2-CG1 4.3Å; L985-V1150 HydrophobicContact CD1-CG2 4.3Å; L1146-V1150 HydrophobicContact CD1-CG2 4.46Å; L1146-V1150 WeakPolarHBondContact O-CG2 3.45Å; L1146-V1150 PolarHBondContact O-N 2.89Å; S1147-V1150 PolarHBondContact O-N 3.12Å; V1150-S1152 PolarHBondContact O-N 3.09Å; V1150-F1153 PolarHBondContact O-N 2.97Å; V1150-L1154 HydrophobicContact CG1-CD1 3.79Å; V1150-L1154 HydrophobicContact CG1-CG 4.36Å; V1150-L1154 VanDerWaalsContact O-CG 3.28Å; V1150-L1154 WeakPolarHBondContact O-CG 3.43Å; V1150-L1154 PolarHBondContact O-N 3.14Å; V1150-L1173 HydrophobicContact CG1-CD2 3.66Å |
| 1151 | E | 84.9 | Confident | 77.6 | Confident | 81 Ų | 81 | 77 Ų | 77 | 38% | 0.379 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -56.6 | -46.7 | 175.2 | -73.4 | 159.6 | -153 | 0 | 0 | 111.8 | I978 S1147 F1153 L1154 L1155 | I978-E1151 WeakPolarHBondContact CD1-O 3.25Å; S1147-E1151 WeakPolarHBondContact O-CB 3.46Å; S1147-E1151 VanDerWaalsContact O-CG 3.24Å; S1147-E1151 WeakPolarHBondContact O-CG 3.45Å; S1147-E1151 PolarHBondContact O-N 3.33Å; E1151-F1153 VanDerWaalsContact C-N 3.34Å; E1151-F1153 PolarHBondContact O-N 3.11Å; E1151-L1154 PolarHBondContact O-N 3.06Å; E1151-L1155 WeakPolarHBondContact O-CB 3.39Å; E1151-L1155 PolarHBondContact O-N 3.31Å |
| 1152 | S | 81.6 | Confident | 79.5 | Confident | 79 Ų | 79 | 72.6 Ų | 72.6 | 55% | 0.552 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -66.5 | -33 | 178.5 | -174 | 0 | 0 | 0 | 0 | 113.2 | K1148 V1149 V1150 H1156 | K1148-S1152 WeakPolarHBondContact O-CB 3.39Å; K1148-S1152 PolarHBondContact O-N 3.11Å; V1149-S1152 PolarHBondContact O-N 3.46Å; V1150-S1152 PolarHBondContact O-N 3.09Å; S1152-H1156 PolarHBondContact O-N 3.46Å |
| 1153 | F | 85.4 | Confident | 80.9 | Confident | 127 Ų | 127 | 71.9 Ų | 71.9 | 56% | 0.557 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -69.9 | -46.2 | 175.3 | 174.2 | -102 | 0 | 0 | 0 | 111.2 | V1149 V1150 E1151 L1155 H1156 Q1157 | V1149-F1153 WeakPolarHBondContact O-CB 3.3Å; V1149-F1153 PolarHBondContact O-N 3.25Å; V1150-F1153 PolarHBondContact O-N 2.97Å; E1151-F1153 VanDerWaalsContact C-N 3.34Å; E1151-F1153 PolarHBondContact O-N 3.11Å; F1153-L1155 VanDerWaalsContact C-N 3.31Å; F1153-L1155 PolarHBondContact O-N 2.96Å; F1153-H1156 WeakPolarHBondContact O-CB 3.48Å; F1153-H1156 PolarHBondContact O-N 2.99Å; F1153-H1156 VanDerWaalsContact O-N 3.15Å; F1153-Q1157 HydrophobicContact CE1-CG 4.47Å; F1153-Q1157 VanDerWaalsContact CE1-NE2 3.28Å; F1153-Q1157 VanDerWaalsContact CZ-NE2 3.35Å; F1153-Q1157 PolarHBondContact O-N 3.25Å |
| 1154 | L | 87.1 | Confident | 82.1 | Confident | 2 Ų | 2 | 65 Ų | 65 | 1% | 0.01 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -67.3 | -31.8 | 177.4 | -63.5 | 173 | 0 | 0 | 0 | 112 | I978 W980 V1150 E1151 H1156 Q1157 H1158 F1171 L1173 | I978-L1154 HydrophobicContact CD1-CB 4.11Å; I978-L1154 HydrophobicContact CG2-CB 3.91Å; I978-L1154 HydrophobicContact CG2-CD1 3.87Å; W980-L1154 HydrophobicContact CB-CD1 3.77Å; W980-L1154 HydrophobicContact CG-CD1 3.9Å; V1150-L1154 HydrophobicContact CG1-CD1 3.79Å; V1150-L1154 HydrophobicContact CG1-CG 4.36Å; V1150-L1154 VanDerWaalsContact O-CG 3.28Å; V1150-L1154 WeakPolarHBondContact O-CG 3.43Å; V1150-L1154 PolarHBondContact O-N 3.14Å; E1151-L1154 PolarHBondContact O-N 3.06Å; L1154-H1156 VanDerWaalsContact C-N 3.3Å; L1154-H1156 PolarHBondContact O-N 3.24Å; L1154-Q1157 PolarHBondContact O-N 3.33Å; L1154-H1158 WeakPolarHBondContact O-CB 3.35Å; L1154-H1158 PolarHBondContact O-N 3.42Å; L1154-F1171 HydrophobicContact CB-CD2 3.91Å; L1154-F1171 HydrophobicContact CB-CE2 4.22Å; L1154-F1171 HydrophobicContact CD1-CB 3.98Å; L1154-F1171 HydrophobicContact CD1-CD2 4.42Å; L1154-F1171 HydrophobicContact CD1-CG 4.42Å; L1154-F1171 HydrophobicContact CD2-CB 4.19Å; L1154-F1171 HydrophobicContact CD2-CD2 3.98Å; L1154-F1171 HydrophobicContact CG-CD2 4.31Å; L1154-L1173 HydrophobicContact CD1-CD2 4Å; L1154-L1173 HydrophobicContact CD2-CD2 4.26Å |
| 1155 | L | 84.8 | Confident | 82.5 | Confident | 66 Ų | 66 | 60.2 Ų | 60.2 | 35% | 0.346 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -65.5 | -36.1 | 172.4 | -168.3 | 69.5 | 0 | 0 | 0 | 111.5 | V973 I978 E1151 F1153 H1158 S1159 | V973-L1155 HydrophobicContact CG1-CD1 3.95Å; V973-L1155 HydrophobicContact CG1-CG 4.36Å; I978-L1155 HydrophobicContact CD1-CB 3.52Å; I978-L1155 HydrophobicContact CD1-CD1 3.79Å; I978-L1155 HydrophobicContact CD1-CG 4.27Å; E1151-L1155 WeakPolarHBondContact O-CB 3.39Å; E1151-L1155 PolarHBondContact O-N 3.31Å; F1153-L1155 VanDerWaalsContact C-N 3.31Å; F1153-L1155 PolarHBondContact O-N 2.96Å; L1155-H1158 PolarHBondContact O-N 3.26Å; L1155-S1159 WeakPolarHBondContact O-CB 3.32Å; L1155-S1159 PolarHBondContact O-N 2.96Å |
| 1156 | H | 84.2 | Confident | 82.4 | Confident | 116 Ų | 116 | 60.5 Ų | 60.5 | 54% | 0.537 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -72.3 | -30.6 | 174.8 | -163.5 | 80.7 | 0 | 0 | 0 | 112.7 | S1152 F1153 L1154 S1159 Q1160 | S1152-H1156 PolarHBondContact O-N 3.46Å; F1153-H1156 WeakPolarHBondContact O-CB 3.48Å; F1153-H1156 PolarHBondContact O-N 2.99Å; F1153-H1156 VanDerWaalsContact O-N 3.15Å; L1154-H1156 VanDerWaalsContact C-N 3.3Å; L1154-H1156 PolarHBondContact O-N 3.24Å; H1156-S1159 PolarHBondContact O-OG 2.61Å; H1156-S1159 VanDerWaalsContact O-OG 3.1Å; H1156-Q1160 PolarHBondContact CD2-NE2 2.95Å; H1156-Q1160 PolarHBondContact NE2-NE2 3.37Å; H1156-Q1160 VanDerWaalsContact O-CG 3.31Å; H1156-Q1160 WeakPolarHBondContact O-CG 3.37Å |
| 1157 | Q | 83.6 | Confident | 82.2 | Confident | 35 Ų | 35 | 61.7 Ų | 61.7 | 16% | 0.164 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -69.6 | -42.3 | 167.9 | -68.6 | -170.1 | -9.5 | 0 | 0 | 111.8 | F1153 L1154 S1159 Q1160 C1161 | F1153-Q1157 HydrophobicContact CE1-CG 4.47Å; F1153-Q1157 VanDerWaalsContact CE1-NE2 3.28Å; F1153-Q1157 VanDerWaalsContact CZ-NE2 3.35Å; F1153-Q1157 PolarHBondContact O-N 3.25Å; L1154-Q1157 PolarHBondContact O-N 3.33Å; Q1157-S1159 VanDerWaalsContact C-N 3.33Å; Q1157-S1159 PolarHBondContact O-N 3.35Å; Q1157-Q1160 PolarHBondContact O-N 3.4Å; Q1157-Q1160 VanDerWaalsContact O-N 3.15Å; Q1157-C1161 PolarHBondContact O-N 2.7Å |
| 1158 | H | 86.1 | Confident | 82 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -65.4 | -35 | 178.8 | -167.2 | 76.2 | 0 | 0 | 0 | 112.4 | T976 L1154 L1155 Q1160 C1161 P1164 V1165 C1168 F1171 H1177 C1179 | T976-H1158 WeakPolarHBondContact CG2-NE2 3.08Å; L1154-H1158 WeakPolarHBondContact O-CB 3.35Å; L1154-H1158 PolarHBondContact O-N 3.42Å; L1155-H1158 PolarHBondContact O-N 3.26Å; H1158-Q1160 PolarHBondContact O-N 3.38Å; H1158-C1161 VanDerWaalsContact O-CB 3.31Å; H1158-C1161 WeakPolarHBondContact O-CB 3.36Å; H1158-C1161 PolarHBondContact O-N 2.93Å; H1158-C1161 VanDerWaalsContact O-N 3.16Å; H1158-P1164 WeakPolarHBondContact NE2-CB 3.12Å; H1158-V1165 PolarHBondContact CE1-N 2.94Å; H1158-V1165 PolarHBondContact NE2-N 3.47Å; H1158-C1168 PolarHBondContact CE1-SG 2.76Å; H1158-F1171 HydrophobicContact CB-CE2 4.13Å; H1158-F1171 HydrophobicContact CB-CZ 4.15Å; H1158-F1171 AromaticContact ND1-CZ 3.81Å; H1158-H1177 AromaticContact CE1-NE2 3.82Å; H1158-H1177 AromaticContact ND1-CD2 3.67Å; H1158-H1177 AromaticContact ND1-CE1 3.98Å; H1158-H1177 AromaticContact ND1-NE2 3.03Å; H1158-H1177 PolarHBondContact ND1-NE2 2.79Å; H1158-C1179 PolarHBondContact CE1-SG 3.44Å |
| 1159 | S | 83.3 | Confident | 81.9 | Confident | 62 Ų | 62 | 63 Ų | 63 | 43% | 0.434 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -70.5 | -17.4 | 174.9 | 74.8 | 0 | 0 | 0 | 0 | 114.4 | L1155 H1156 Q1157 | L1155-S1159 WeakPolarHBondContact O-CB 3.32Å; L1155-S1159 PolarHBondContact O-N 2.96Å; H1156-S1159 PolarHBondContact O-OG 2.61Å; H1156-S1159 VanDerWaalsContact O-OG 3.1Å; Q1157-S1159 VanDerWaalsContact C-N 3.33Å; Q1157-S1159 PolarHBondContact O-N 3.35Å |
| 1160 | Q | 81.7 | Confident | 81.7 | Confident | 133 Ų | 133 | 65.2 Ų | 65.2 | 62% | 0.621 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | -4.9 | 172.2 | -67.5 | 175.4 | 13.8 | 0 | 0 | 113.2 | H1156 Q1157 H1158 | H1156-Q1160 PolarHBondContact CD2-NE2 2.95Å; H1156-Q1160 PolarHBondContact NE2-NE2 3.37Å; H1156-Q1160 VanDerWaalsContact O-CG 3.31Å; H1156-Q1160 WeakPolarHBondContact O-CG 3.37Å; Q1157-Q1160 PolarHBondContact O-N 3.4Å; Q1157-Q1160 VanDerWaalsContact O-N 3.15Å; H1158-Q1160 PolarHBondContact O-N 3.38Å |
| 1161 | C | 79.7 | Confident | 81.8 | Confident | 7 Ų | 7 | 64.7 Ų | 64.7 | 5% | 0.047 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -69.9 | 135.1 | 176.9 | -70.9 | 0 | 0 | 0 | 0 | 111.2 | Q1157 H1158 H1163 H1177 C1179 | Q1157-C1161 PolarHBondContact O-N 2.7Å; H1158-C1161 VanDerWaalsContact O-CB 3.31Å; H1158-C1161 WeakPolarHBondContact O-CB 3.36Å; H1158-C1161 PolarHBondContact O-N 2.93Å; H1158-C1161 VanDerWaalsContact O-N 3.16Å; C1161-H1163 PolarHBondContact O-N 3.22Å; C1161-H1177 VanDerWaalsContact SG-CD2 3.58Å; C1161-C1179 HydrophobicContact CB-CB 4.18Å; C1161-C1179 PolarHBondContact SG-N 3.15Å; C1161-C1179 VanDerWaalsContact SG-N 3.42Å |
| 1162 | P | 78.1 | Confident | 81.7 | Confident | 54 Ų | 54 | 62.5 Ų | 62.5 | 35% | 0.351 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -58.5 | -33.4 | 178.2 | -26.5 | 35.1 | 0 | 0 | 0 | 113.5 | R969 | R969-P1162 PolarHBondContact NE-O 2.87Å; R969-P1162 PolarHBondContact NH2-O 2.97Å |
| 1163 | H | 73.8 | Confident | 81.8 | Confident | 76 Ų | 76 | 60.5 Ų | 60.5 | 35% | 0.352 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -136 | 87.3 | 177.5 | -59.5 | -81.6 | 0 | 0 | 0 | 109.1 | C1161 C1179 P1182 | C1161-H1163 PolarHBondContact O-N 3.22Å; H1163-C1179 WeakPolarHBondContact O-CB 3.19Å; H1163-P1182 HydrophobicContact CB-CG 4.11Å; H1163-P1182 WeakPolarHBondContact CD2-CD 3.43Å; H1163-P1182 VanDerWaalsContact CG-CD 3.46Å |
| 1164 | P | 79.3 | Confident | 81.6 | Confident | 13 Ų | 13 | 58.4 Ų | 58.4 | 8% | 0.084 | 32% | 0.319 | C | S | . | . | trans | -66.6 | 150.4 | 176.5 | 29.3 | -33.9 | 0 | 0 | 0 | 110.7 | R969 I972 V973 H1158 | R969-P1164 HydrophobicContact CB-CG 4.13Å; R969-P1164 HydrophobicContact CG-CG 4.02Å; I972-P1164 HydrophobicContact CB-CG 4.45Å; I972-P1164 HydrophobicContact CG2-CB 4.14Å; I972-P1164 HydrophobicContact CG2-CG 4.31Å; V973-P1164 HydrophobicContact CG2-CB 3.75Å; V973-P1164 HydrophobicContact CG2-CG 3.94Å; H1158-P1164 WeakPolarHBondContact NE2-CB 3.12Å | ||
| 1165 | V | 79.8 | Confident | 81.4 | Confident | 60 Ų | 60 | 66.6 Ų | 66.6 | 36% | 0.364 | 35% | 0.351 | S | S | . | . | trans | -131.7 | 126 | -173.7 | -173.1 | 0 | 0 | 0 | 0 | 109.8 | H1158 V1167 C1168 C1179 | H1158-V1165 PolarHBondContact CE1-N 2.94Å; H1158-V1165 PolarHBondContact NE2-N 3.47Å; V1165-V1167 WeakPolarHBondContact CG1-O 3.13Å; V1165-V1167 PolarHBondContact O-N 2.99Å; V1165-V1167 VanDerWaalsContact O-N 3.15Å; V1165-C1168 PolarHBondContact O-SG 3.34Å; V1165-C1179 HydrophobicContact CG2-CB 4.23Å | ||
| 1166 | S | 79.5 | Confident | 81.1 | Confident | 70 Ų | 70 | 68.5 Ų | 68.5 | 49% | 0.49 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -60.1 | -27.7 | -173.2 | 54.2 | 0 | 0 | 0 | 0 | 114.6 | ||
| 1167 | V | 80.1 | Confident | 80.9 | Confident | 122 Ų | 122 | 64.4 Ų | 64.4 | 74% | 0.739 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -114.6 | 114 | 174.5 | -177.2 | 0 | 0 | 0 | 0 | 108.5 | V1165 | V1165-V1167 WeakPolarHBondContact CG1-O 3.13Å; V1165-V1167 PolarHBondContact O-N 2.99Å; V1165-V1167 VanDerWaalsContact O-N 3.15Å |
| 1168 | C | 77.8 | Confident | 80.7 | Confident | 32 Ų | 32 | 69.9 Ų | 69.9 | 22% | 0.216 | 37% | 0.368 | C | S | . | . | trans | -118.7 | 152.2 | 177.1 | -78.7 | 0 | 0 | 0 | 0 | 111.2 | H1158 V1165 F1171 | H1158-C1168 PolarHBondContact CE1-SG 2.76Å; V1165-C1168 PolarHBondContact O-SG 3.34Å; C1168-F1171 HydrophobicContact CB-CE1 3.71Å; C1168-F1171 HydrophobicContact CB-CZ 4.39Å | ||
| 1169 | P | 79 | Confident | 80.3 | Confident | 101 Ų | 101 | 70.3 Ų | 70.3 | 66% | 0.656 | 37% | 0.371 | S | S | * | . | P | Polyproline II helix | trans | -66 | 173.6 | 164.9 | 32.2 | -36.2 | 0 | 0 | 0 | 110.8 | F1171 | P1169-F1171 WeakPolarHBondContact O-CD1 3.23Å; P1169-F1171 PolarHBondContact O-N 3.45Å |
| 1170 | K | 81.3 | Confident | 79.6 | Confident | 117 Ų | 117 | 72.5 Ų | 72.5 | 51% | 0.509 | 38% | 0.383 | S | S | . | . | P | Polyproline II helix | trans | -54.3 | 131.4 | 169.3 | -73.9 | -176.6 | 173.9 | -179 | 0 | 110.3 | Q979 D981 | Q979-K1170 HydrophobicContact CB-CG 4.2Å; Q979-K1170 CarbonylContact O-C 3.53Å; Q979-K1170 WeakPolarHBondContact O-CA 3.37Å; D981-K1170 IonicContact OD2-NZ 2.78Å; D981-K1170 PolarHBondContact OD2-NZ 2.94Å |
| 1171 | F | 86.4 | Confident | 78.6 | Confident | 6 Ų | 6 | 71.8 Ų | 71.8 | 3% | 0.026 | 38% | 0.38 | C | S | . | . | B | Isolated β-bridge | trans | -77.5 | 130.2 | 172.1 | -69.4 | 53.6 | 0 | 0 | 0 | 107.8 | I978 Q979 W980 L1154 H1158 C1168 P1169 H1177 | I978-F1171 HydrophobicContact CG1-CE1 4.4Å; I978-F1171 HydrophobicContact CG1-CZ 4.24Å; I978-F1171 HydrophobicContact CG2-CD1 4.12Å; I978-F1171 HydrophobicContact CG2-CE1 4.24Å; I978-F1171 HydrophobicContact CG2-CG 4.32Å; Q979-F1171 WeakPolarHBondContact O-CD1 3.32Å; Q979-F1171 PolarHBondContact O-N 2.88Å; W980-F1171 WeakPolarHBondContact CA-O 3.4Å; W980-F1171 WeakPolarHBondContact CB-O 3.32Å; L1154-F1171 HydrophobicContact CB-CD2 3.91Å; L1154-F1171 HydrophobicContact CB-CE2 4.22Å; L1154-F1171 HydrophobicContact CD1-CB 3.98Å; L1154-F1171 HydrophobicContact CD1-CD2 4.42Å; L1154-F1171 HydrophobicContact CD1-CG 4.42Å; L1154-F1171 HydrophobicContact CD2-CB 4.19Å; L1154-F1171 HydrophobicContact CD2-CD2 3.98Å; L1154-F1171 HydrophobicContact CG-CD2 4.31Å; H1158-F1171 HydrophobicContact CB-CE2 4.13Å; H1158-F1171 HydrophobicContact CB-CZ 4.15Å; H1158-F1171 AromaticContact ND1-CZ 3.81Å; C1168-F1171 HydrophobicContact CB-CE1 3.71Å; C1168-F1171 HydrophobicContact CB-CZ 4.39Å; P1169-F1171 WeakPolarHBondContact O-CD1 3.23Å; P1169-F1171 PolarHBondContact O-N 3.45Å; F1171-H1177 HydrophobicContact CD2-CB 3.4Å; F1171-H1177 AromaticContact CD2-CG 3.48Å; F1171-H1177 VanDerWaalsContact CD2-CG 3.48Å; F1171-H1177 AromaticContact CD2-ND1 3.64Å; F1171-H1177 HydrophobicContact CE2-CB 3.61Å; F1171-H1177 AromaticContact CE2-CD2 3.49Å; F1171-H1177 VanDerWaalsContact CE2-CD2 3.49Å; F1171-H1177 WeakPolarHBondContact CE2-CD2 3.41Å; F1171-H1177 AromaticContact CE2-CE1 3.86Å; F1171-H1177 AromaticContact CE2-CG 3.25Å; F1171-H1177 AromaticContact CE2-ND1 3.51Å; F1171-H1177 AromaticContact CE2-NE2 3.87Å; F1171-H1177 HydrophobicContact CG-CB 4.31Å; F1171-H1177 AromaticContact CG-ND1 4Å; F1171-H1177 AromaticContact CZ-CD2 3.91Å; F1171-H1177 AromaticContact CZ-CE1 3.66Å; F1171-H1177 AromaticContact CZ-CG 3.88Å; F1171-H1177 AromaticContact CZ-ND1 3.73Å; F1171-H1177 AromaticContact CZ-NE2 3.77Å |
| 1172 | S | 83.4 | Confident | 77.4 | Confident | 35 Ų | 35 | 74.6 Ų | 74.6 | 25% | 0.245 | 40% | 0.398 | C | S | . | . | P | Polyproline II helix | trans | -80.6 | 142.6 | 169.7 | 177.9 | 0 | 0 | 0 | 0 | 109.9 | E984 Y1174 Y1175 | E984-S1172 WeakPolarHBondContact OE1-CB 3.48Å; E984-S1172 PolarHBondContact OE1-OG 3.31Å; E984-S1172 WeakPolarHBondContact OE2-CA 3.5Å; E984-S1172 PolarHBondContact OE2-OG 3.24Å; S1172-Y1174 VanDerWaalsContact C-N 3.3Å; S1172-Y1174 PolarHBondContact OG-N 2.96Å; S1172-Y1175 VanDerWaalsContact O-O 3.11Å |
| 1173 | L | 82.8 | Confident | 76.2 | Confident | 37 Ų | 37 | 83.4 Ų | 83.4 | 19% | 0.194 | 42% | 0.424 | C | S | . | . | S | Bend | trans | -83.5 | -7.9 | 173.7 | -58.3 | -179.9 | 0 | 0 | 0 | 112.7 | W980 E984 L985 L988 V1150 L1154 | W980-L1173 HydrophobicContact CB-CD2 4.24Å; W980-L1173 HydrophobicContact CE3-CD1 4.04Å; E984-L1173 HydrophobicContact CB-CB 4.3Å; E984-L1173 HydrophobicContact CB-CD1 4.34Å; E984-L1173 HydrophobicContact CB-CG 4.48Å; E984-L1173 PolarHBondContact OE2-N 3.46Å; L985-L1173 HydrophobicContact CB-CD1 3.66Å; L985-L1173 HydrophobicContact CD1-CD1 4.15Å; L985-L1173 HydrophobicContact CG-CD1 4.46Å; L988-L1173 HydrophobicContact CD1-CB 3.63Å; L988-L1173 HydrophobicContact CD1-CD1 4.26Å; V1150-L1173 HydrophobicContact CG1-CD2 3.66Å; L1154-L1173 HydrophobicContact CD1-CD2 4Å; L1154-L1173 HydrophobicContact CD2-CD2 4.26Å |
| 1174 | Y | 81.8 | Confident | 74.8 | Confident | 83 Ų | 83 | 87 Ų | 87 | 33% | 0.325 | 45% | 0.446 | S | S | . | . | S | Bend | trans | -85.1 | -24.1 | 177 | -57.7 | -44.9 | 0 | 0 | 0 | 113.7 | E984 E987 L988 S1172 | E984-Y1174 HydrophobicContact CB-CE1 4.41Å; E984-Y1174 HydrophobicContact CB-CE2 4.17Å; E984-Y1174 HydrophobicContact CG-CD2 4.16Å; E984-Y1174 HydrophobicContact CG-CE2 3.55Å; E984-Y1174 VanDerWaalsContact OE1-CD2 3.29Å; E984-Y1174 WeakPolarHBondContact OE1-CD2 3.5Å; E984-Y1174 WeakPolarHBondContact OE1-CE2 3.27Å; E987-Y1174 PolarHBondContact OE1-OH 3.27Å; E987-Y1174 PolarHBondContact OE2-OH 3.32Å; L988-Y1174 HydrophobicContact CD2-CD1 4.33Å; L988-Y1174 HydrophobicContact CD2-CE1 4.16Å; L988-Y1174 HydrophobicContact CG-CE1 4.07Å; S1172-Y1174 VanDerWaalsContact C-N 3.3Å; S1172-Y1174 PolarHBondContact OG-N 2.96Å |
| 1175 | Y | 82 | Confident | 73.2 | Confident | 174 Ų | 174 | 91.9 Ų | 91.9 | 68% | 0.682 | 47% | 0.471 | S | S | * | . | S | Bend | trans | -136.2 | 137.1 | -172.5 | -55.5 | -76 | 0 | 0 | 0 | 111 | S1172 H1177 | S1172-Y1175 VanDerWaalsContact O-O 3.11Å; Y1175-H1177 PolarHBondContact O-N 2.93Å |
| 1176 | P | 79.5 | Confident | 71.6 | Confident | 105 Ų | 105 | 97.9 Ų | 97.9 | 68% | 0.682 | 49% | 0.492 | S | S | * | . | trans | -64.5 | 134.3 | 179.5 | 27.6 | -34.4 | 0 | 0 | 0 | 111 | R1178 | P1176-R1178 PolarHBondContact O-N 3.4Š| ||
| 1177 | H | 80.9 | Confident | 70.1 | Confident | 30 Ų | 30 | 103 Ų | 103 | 14% | 0.139 | 51% | 0.509 | C | S | . | . | trans | -70.1 | 127.7 | -179.2 | 170.8 | 91.9 | 0 | 0 | 0 | 111.8 | H1158 C1161 F1171 Y1175 C1179 | H1158-H1177 AromaticContact CE1-NE2 3.82Å; H1158-H1177 AromaticContact ND1-CD2 3.67Å; H1158-H1177 AromaticContact ND1-CE1 3.98Å; H1158-H1177 AromaticContact ND1-NE2 3.03Å; H1158-H1177 PolarHBondContact ND1-NE2 2.79Å; C1161-H1177 VanDerWaalsContact SG-CD2 3.58Å; F1171-H1177 HydrophobicContact CD2-CB 3.4Å; F1171-H1177 AromaticContact CD2-CG 3.48Å; F1171-H1177 VanDerWaalsContact CD2-CG 3.48Å; F1171-H1177 AromaticContact CD2-ND1 3.64Å; F1171-H1177 HydrophobicContact CE2-CB 3.61Å; F1171-H1177 AromaticContact CE2-CD2 3.49Å; F1171-H1177 VanDerWaalsContact CE2-CD2 3.49Å; F1171-H1177 WeakPolarHBondContact CE2-CD2 3.41Å; F1171-H1177 AromaticContact CE2-CE1 3.86Å; F1171-H1177 AromaticContact CE2-CG 3.25Å; F1171-H1177 AromaticContact CE2-ND1 3.51Å; F1171-H1177 AromaticContact CE2-NE2 3.87Å; F1171-H1177 HydrophobicContact CG-CB 4.31Å; F1171-H1177 AromaticContact CG-ND1 4Å; F1171-H1177 AromaticContact CZ-CD2 3.91Å; F1171-H1177 AromaticContact CZ-CE1 3.66Å; F1171-H1177 AromaticContact CZ-CG 3.88Å; F1171-H1177 AromaticContact CZ-ND1 3.73Å; F1171-H1177 AromaticContact CZ-NE2 3.77Å; Y1175-H1177 PolarHBondContact O-N 2.93Å; H1177-C1179 PolarHBondContact NE2-SG 2.86Å | ||
| 1178 | R | 78.6 | Confident | 68.7 | Low | 151 Ų | 151 | 98.9 Ų | 98.9 | 57% | 0.57 | 48% | 0.483 | S | S | * | . | trans | -118.9 | 133.6 | 158.5 | -96.3 | 176 | 160.2 | -111.6 | 4.3 | 108.6 | P1176 E1181 | P1176-R1178 PolarHBondContact O-N 3.4Å; R1178-E1181 IonicContact CZ-OE1 3.13Å; R1178-E1181 IonicContact NH1-OE1 3.25Å; R1178-E1181 PolarHBondContact NH1-OE1 3.17Å | ||
| 1179 | C | 78.5 | Confident | 67.9 | Low | 9 Ų | 9 | 102.7 Ų | 102.7 | 6% | 0.061 | 50% | 0.501 | C | S | . | . | P | Polyproline II helix | trans | -61.5 | 147.7 | 162.9 | -72.9 | 0 | 0 | 0 | 0 | 110.1 | H1158 C1161 H1163 V1165 H1177 E1181 | H1158-C1179 PolarHBondContact CE1-SG 3.44Å; C1161-C1179 HydrophobicContact CB-CB 4.18Å; C1161-C1179 PolarHBondContact SG-N 3.15Å; C1161-C1179 VanDerWaalsContact SG-N 3.42Å; H1163-C1179 WeakPolarHBondContact O-CB 3.19Å; V1165-C1179 HydrophobicContact CG2-CB 4.23Å; H1177-C1179 PolarHBondContact NE2-SG 2.86Å; C1179-E1181 PolarHBondContact O-N 2.96Å |
| 1180 | P | 68.8 | Low | 67.2 | Low | 107 Ų | 107 | 98.9 Ų | 98.9 | 70% | 0.695 | 48% | 0.477 | S | S | * | . | P | Polyproline II helix | trans | -56.8 | 125.7 | 167.4 | -19.4 | 31.6 | 0 | 0 | 0 | 108.9 | ||
| 1181 | E | 59.4 | Low | 66.6 | Low | 118 Ų | 118 | 97.2 Ų | 97.2 | 55% | 0.551 | 48% | 0.479 | S | S | * | . | P | Polyproline II helix | trans | -61.7 | 133 | 173.3 | -71.2 | 174.8 | -176.5 | 0 | 0 | 108.4 | R1178 C1179 R1183 | R1178-E1181 IonicContact CZ-OE1 3.13Å; R1178-E1181 IonicContact NH1-OE1 3.25Å; R1178-E1181 PolarHBondContact NH1-OE1 3.17Å; C1179-E1181 PolarHBondContact O-N 2.96Å; E1181-R1183 PolarHBondContact O-N 3.34Å |
| 1182 | P | 55.2 | Low | 65.6 | Low | 67 Ų | 67 | 102 Ų | 102 | 44% | 0.435 | 50% | 0.502 | S | S | . | . | trans | -61.3 | 115 | 178.3 | 26.2 | -32.6 | 0 | 0 | 0 | 106.8 | H1163 L1184 | H1163-P1182 HydrophobicContact CB-CG 4.11Å; H1163-P1182 WeakPolarHBondContact CD2-CD 3.43Å; H1163-P1182 VanDerWaalsContact CG-CD 3.46Å; P1182-L1184 VanDerWaalsContact C-N 3.33Å; P1182-L1184 PolarHBondContact O-N 2.85Å | ||
| 1183 | R | 52 | Low | 64.8 | Low | 238 Ų | 238 | 102.2 Ų | 102.2 | 90% | 0.898 | 50% | 0.497 | S | S | * | . | trans | -59 | 104.5 | 168.4 | -68.2 | 179.3 | 179.7 | 172.7 | -0.8 | 105.9 | E1181 N1185 | E1181-R1183 PolarHBondContact O-N 3.34Å; R1183-N1185 PolarHBondContact O-N 2.94Å | ||
| 1184 | L | 45 | Very low | 64.1 | Low | 153 Ų | 153 | 104.7 Ų | 104.7 | 80% | 0.801 | 51% | 0.51 | S | S | * | . | trans | -50.3 | 139.3 | 162.5 | -72.5 | 97.7 | 0 | 0 | 0 | 106.3 | P1182 K1186 | P1182-L1184 VanDerWaalsContact C-N 3.33Å; P1182-L1184 PolarHBondContact O-N 2.85Å; L1184-K1186 PolarHBondContact O-N 3.48Å | ||
| 1185 | N | 44.8 | Very low | 63.5 | Low | 114 Ų | 114 | 105.4 Ų | 105.4 | 61% | 0.61 | 52% | 0.519 | S | S | * | . | trans | -60.1 | 93 | 157.2 | -87.3 | 27.1 | 0 | 0 | 0 | 105.9 | R1183 Q1187 E1212 | R1183-N1185 PolarHBondContact O-N 2.94Å; N1185-Q1187 PolarHBondContact O-N 2.67Å; N1185-E1212 PolarHBondContact ND2-OE1 3.37Å | ||
| 1186 | K | 46.1 | Very low | 62.8 | Low | 187 Ų | 187 | 100.5 Ų | 100.5 | 81% | 0.813 | 50% | 0.504 | S | S | * | . | trans | -49.7 | 113.2 | 155.2 | -74.8 | -170.8 | 174.1 | -170.9 | 0 | 103.7 | L1184 T1188 | L1184-K1186 PolarHBondContact O-N 3.48Å; K1186-T1188 VanDerWaalsContact C-N 3.33Å; K1186-T1188 PolarHBondContact O-N 3.49Å | ||
| 1187 | Q | 47.9 | Very low | 62.1 | Low | 178 Ų | 178 | 102.7 Ų | 102.7 | 83% | 0.832 | 50% | 0.499 | S | S | * | . | trans | -51.7 | 102.4 | -174.4 | -72.9 | 176.8 | -16.3 | 0 | 0 | 107.7 | N1185 N1189 | N1185-Q1187 PolarHBondContact O-N 2.67Å; Q1187-N1189 PolarHBondContact O-N 3.34Å | ||
| 1188 | T | 51.7 | Low | 61.5 | Low | 34 Ų | 34 | 107.6 Ų | 107.6 | 21% | 0.209 | 52% | 0.522 | C | S | . | . | trans | -69.1 | 113.7 | -174.9 | 30.5 | 0 | 0 | 0 | 0 | 105.4 | K1186 Q1192 R1193 L1196 E1212 | K1186-T1188 VanDerWaalsContact C-N 3.33Å; K1186-T1188 PolarHBondContact O-N 3.49Å; T1188-Q1192 HydrophobicContact CG2-CG 4.36Å; T1188-R1193 VanDerWaalsContact CB-CG 3.5Å; T1188-R1193 VanDerWaalsContact O-CD 3.26Å; T1188-R1193 WeakPolarHBondContact O-CD 3.42Å; T1188-R1193 VanDerWaalsContact O-CG 3.3Å; T1188-R1193 WeakPolarHBondContact O-CG 3.37Å; T1188-R1193 PolarHBondContact O-NE 2.94Å; T1188-R1193 WeakPolarHBondContact OG1-CD 3.12Å; T1188-R1193 WeakPolarHBondContact OG1-CG 3.24Å; T1188-L1196 HydrophobicContact CG2-CD1 4.4Å; T1188-E1212 PolarHBondContact OG1-OE2 3.49Å; T1188-E1212 VanDerWaalsContact OG1-OE2 3.12Å | ||
| 1189 | N | 60.6 | Low | 60.7 | Low | 112 Ų | 112 | 106.7 Ų | 106.7 | 60% | 0.599 | 53% | 0.528 | S | S | * | . | trans | -53.5 | 146.7 | -178.3 | -171.6 | -1.6 | 0 | 0 | 0 | 108.2 | Q1187 C1191 Q1192 R1193 | Q1187-N1189 PolarHBondContact O-N 3.34Å; N1189-C1191 CarbonylContact O-C 3.57Å; N1189-C1191 PolarHBondContact O-N 3.01Å; N1189-Q1192 WeakPolarHBondContact O-CA 3.32Å; N1189-Q1192 WeakPolarHBondContact O-CB 3.45Å; N1189-Q1192 PolarHBondContact O-N 3.01Å; N1189-R1193 PolarHBondContact O-N 3.25Å | ||
| 1190 | C | 64.3 | Low | 59.8 | Low | 22 Ų | 22 | 108.8 Ų | 108.8 | 15% | 0.149 | 54% | 0.539 | C | S | . | . | H | α-helix | trans | -55.8 | -36.4 | -167.1 | -154.8 | 0 | 0 | 0 | 0 | 112 | Q1192 R1193 L1194 F1216 | C1190-Q1192 PolarHBondContact O-N 2.9Å; C1190-R1193 PolarHBondContact O-N 3.33Å; C1190-R1193 VanDerWaalsContact O-N 3.14Å; C1190-L1194 VanDerWaalsContact O-CG 3.31Å; C1190-L1194 WeakPolarHBondContact O-CG 3.3Å; C1190-L1194 PolarHBondContact O-N 2.96Å; C1190-F1216 HydrophobicContact CB-CE2 3.95Å; C1190-F1216 HydrophobicContact CB-CZ 3.95Å |
| 1191 | C | 68.4 | Low | 58.9 | Low | 82 Ų | 82 | 109.1 Ų | 109.1 | 55% | 0.554 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -57.6 | -43.3 | 170.6 | -50.8 | 0 | 0 | 0 | 0 | 113.6 | N1189 R1193 L1194 L1195 | N1189-C1191 CarbonylContact O-C 3.57Å; N1189-C1191 PolarHBondContact O-N 3.01Å; C1191-R1193 VanDerWaalsContact C-N 3.32Å; C1191-R1193 PolarHBondContact O-N 3.15Å; C1191-L1194 PolarHBondContact O-N 3.22Å; C1191-L1195 WeakPolarHBondContact O-CB 3.35Å; C1191-L1195 VanDerWaalsContact O-CG 3.31Å; C1191-L1195 WeakPolarHBondContact O-CG 3.35Å; C1191-L1195 PolarHBondContact O-N 2.96Å |
| 1192 | Q | 66 | Low | 58.7 | Low | 107 Ų | 107 | 107 Ų | 107 | 50% | 0.5 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -68.7 | -30.3 | 176 | -167.2 | 174.3 | 21.5 | 0 | 0 | 112.2 | T1188 N1189 C1190 L1196 | T1188-Q1192 HydrophobicContact CG2-CG 4.36Å; N1189-Q1192 WeakPolarHBondContact O-CA 3.32Å; N1189-Q1192 WeakPolarHBondContact O-CB 3.45Å; N1189-Q1192 PolarHBondContact O-N 3.01Å; C1190-Q1192 PolarHBondContact O-N 2.9Å; Q1192-L1196 HydrophobicContact CG-CD1 4.38Å; Q1192-L1196 VanDerWaalsContact O-CB 3.31Å; Q1192-L1196 WeakPolarHBondContact O-CB 3.28Å; Q1192-L1196 WeakPolarHBondContact O-CD1 3.49Å; Q1192-L1196 WeakPolarHBondContact O-CG 3.46Å; Q1192-L1196 PolarHBondContact O-N 3.35Å |
| 1193 | R | 65.9 | Low | 58.5 | Low | 38 Ų | 38 | 106.8 Ų | 106.8 | 14% | 0.143 | 55% | 0.552 | C | S | . | * | H | α-helix | trans | -74 | -33.3 | 173 | -61.9 | -172.1 | -56 | -155 | 13.3 | 112.8 | T1188 N1189 C1190 C1191 R1197 E1212 | T1188-R1193 VanDerWaalsContact CB-CG 3.5Å; T1188-R1193 VanDerWaalsContact O-CD 3.26Å; T1188-R1193 WeakPolarHBondContact O-CD 3.42Å; T1188-R1193 VanDerWaalsContact O-CG 3.3Å; T1188-R1193 WeakPolarHBondContact O-CG 3.37Å; T1188-R1193 PolarHBondContact O-NE 2.94Å; T1188-R1193 WeakPolarHBondContact OG1-CD 3.12Å; T1188-R1193 WeakPolarHBondContact OG1-CG 3.24Å; N1189-R1193 PolarHBondContact O-N 3.25Å; C1190-R1193 PolarHBondContact O-N 3.33Å; C1190-R1193 VanDerWaalsContact O-N 3.14Å; C1191-R1193 VanDerWaalsContact C-N 3.32Å; C1191-R1193 PolarHBondContact O-N 3.15Å; R1193-R1197 WeakPolarHBondContact O-CB 3.43Å; R1193-R1197 PolarHBondContact O-N 2.95Å; R1193-E1212 WeakPolarHBondContact CD-OE2 3.48Å; R1193-E1212 IonicContact CZ-OE2 2.64Å; R1193-E1212 VanDerWaalsContact NH1-CB 3.33Å; R1193-E1212 VanDerWaalsContact NH1-CG 3.31Å; R1193-E1212 PolarHBondContact NH1-O 3.37Å; R1193-E1212 IonicContact NH1-OE2 2.58Å; R1193-E1212 PolarHBondContact NH1-OE2 3.37Å; R1193-E1212 PolarHBondContact NH2-O 3.36Å |
| 1194 | L | 67.8 | Low | 58.3 | Low | 89 Ų | 89 | 103.7 Ų | 103.7 | 47% | 0.466 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -67.9 | -50.1 | 173.1 | -70.8 | 164.5 | 0 | 0 | 0 | 110.1 | C1190 C1191 L1196 R1197 E1198 | C1190-L1194 VanDerWaalsContact O-CG 3.31Å; C1190-L1194 WeakPolarHBondContact O-CG 3.3Å; C1190-L1194 PolarHBondContact O-N 2.96Å; C1191-L1194 PolarHBondContact O-N 3.22Å; L1194-L1196 PolarHBondContact O-N 2.89Å; L1194-R1197 CarbonylContact O-C 3.59Å; L1194-R1197 WeakPolarHBondContact O-CA 3.44Å; L1194-R1197 WeakPolarHBondContact O-CB 3.42Å; L1194-R1197 PolarHBondContact O-N 2.66Å; L1194-E1198 WeakPolarHBondContact O-CG 3.34Å; L1194-E1198 PolarHBondContact O-N 3.13Å |
| 1195 | L | 70.3 | Confident | 58.6 | Low | 98 Ų | 98 | 107.4 Ų | 107.4 | 51% | 0.513 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -53.8 | -50.9 | 172.4 | -73 | 164.9 | 0 | 0 | 0 | 111.9 | C1191 R1197 E1198 D1199 | C1191-L1195 WeakPolarHBondContact O-CB 3.35Å; C1191-L1195 VanDerWaalsContact O-CG 3.31Å; C1191-L1195 WeakPolarHBondContact O-CG 3.35Å; C1191-L1195 PolarHBondContact O-N 2.96Å; L1195-R1197 PolarHBondContact O-N 3.06Å; L1195-E1198 PolarHBondContact O-N 3.04Å; L1195-E1198 VanDerWaalsContact O-N 3.13Å; L1195-D1199 WeakPolarHBondContact O-CB 3.33Å; L1195-D1199 PolarHBondContact O-N 3.03Å |
| 1196 | L | 66.8 | Low | 58.9 | Low | 71 Ų | 71 | 107.3 Ų | 107.3 | 37% | 0.372 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -62.1 | -29.2 | 175.6 | -75.1 | 169.5 | 0 | 0 | 0 | 113.2 | T1188 Q1192 L1194 L1200 | T1188-L1196 HydrophobicContact CG2-CD1 4.4Å; Q1192-L1196 HydrophobicContact CG-CD1 4.38Å; Q1192-L1196 VanDerWaalsContact O-CB 3.31Å; Q1192-L1196 WeakPolarHBondContact O-CB 3.28Å; Q1192-L1196 WeakPolarHBondContact O-CD1 3.49Å; Q1192-L1196 WeakPolarHBondContact O-CG 3.46Å; Q1192-L1196 PolarHBondContact O-N 3.35Å; L1194-L1196 PolarHBondContact O-N 2.89Å; L1196-L1200 WeakPolarHBondContact O-CB 3.3Å; L1196-L1200 VanDerWaalsContact O-CD1 3.31Å; L1196-L1200 WeakPolarHBondContact O-CD1 3.48Å; L1196-L1200 WeakPolarHBondContact O-CG 3.42Å; L1196-L1200 PolarHBondContact O-N 3.28Å; L1196-L1200 VanDerWaalsContact O-N 3.09Å |
| 1197 | R | 65.3 | Low | 59.2 | Low | 151 Ų | 151 | 107.5 Ų | 107.5 | 57% | 0.57 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -75.7 | -31.5 | 176.5 | -179.5 | 173.8 | 177.9 | 167.3 | -2.4 | 112 | R1193 L1194 L1195 C1201 P1208 | R1193-R1197 WeakPolarHBondContact O-CB 3.43Å; R1193-R1197 PolarHBondContact O-N 2.95Å; L1194-R1197 CarbonylContact O-C 3.59Å; L1194-R1197 WeakPolarHBondContact O-CA 3.44Å; L1194-R1197 WeakPolarHBondContact O-CB 3.42Å; L1194-R1197 PolarHBondContact O-N 2.66Å; L1195-R1197 PolarHBondContact O-N 3.06Å; R1197-C1201 PolarHBondContact O-N 2.98Å; R1197-P1208 HydrophobicContact CB-CG 4.06Å; R1197-P1208 HydrophobicContact CG-CG 4.1Å |
| 1198 | E | 67.3 | Low | 59.3 | Low | 134 Ų | 134 | 101.4 Ų | 101.4 | 63% | 0.626 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -72.6 | -51.7 | 172.3 | -70.2 | 167.6 | 179.1 | 0 | 0 | 110.3 | L1194 L1195 L1200 C1201 | L1194-E1198 WeakPolarHBondContact O-CG 3.34Å; L1194-E1198 PolarHBondContact O-N 3.13Å; L1195-E1198 PolarHBondContact O-N 3.04Å; L1195-E1198 VanDerWaalsContact O-N 3.13Å; E1198-L1200 VanDerWaalsContact C-N 3.26Å; E1198-L1200 PolarHBondContact O-N 3Å; E1198-C1201 VanDerWaalsContact O-CB 3.22Å; E1198-C1201 WeakPolarHBondContact O-CB 3.48Å; E1198-C1201 PolarHBondContact O-N 3.34Å; E1198-C1201 VanDerWaalsContact O-N 3.09Å |
| 1199 | D | 62.9 | Low | 59.7 | Low | 131 Ų | 131 | 102.7 Ų | 102.7 | 70% | 0.701 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -56.8 | -34.3 | 176.5 | -73.8 | -30.1 | 0 | 0 | 0 | 113.4 | L1195 | L1195-D1199 WeakPolarHBondContact O-CB 3.33Å; L1195-D1199 PolarHBondContact O-N 3.03Å |
| 1200 | L | 59.9 | Low | 60.1 | Low | 53 Ų | 53 | 102.1 Ų | 102.1 | 28% | 0.277 | 54% | 0.543 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | 3.7 | -178.9 | -65.7 | 170.5 | 0 | 0 | 0 | 113.9 | L1196 E1198 G1202 S1203 L1206 | L1196-L1200 WeakPolarHBondContact O-CB 3.3Å; L1196-L1200 VanDerWaalsContact O-CD1 3.31Å; L1196-L1200 WeakPolarHBondContact O-CD1 3.48Å; L1196-L1200 WeakPolarHBondContact O-CG 3.42Å; L1196-L1200 PolarHBondContact O-N 3.28Å; L1196-L1200 VanDerWaalsContact O-N 3.09Å; E1198-L1200 VanDerWaalsContact C-N 3.26Å; E1198-L1200 PolarHBondContact O-N 3Å; L1200-G1202 VanDerWaalsContact C-N 3.27Å; L1200-G1202 PolarHBondContact O-N 3.11Å; L1200-S1203 PolarHBondContact O-N 3.25Å; L1200-S1203 VanDerWaalsContact O-N 3.12Å; L1200-L1206 HydrophobicContact CD1-CB 4.43Å; L1200-L1206 HydrophobicContact CD2-CB 4.3Å; L1200-L1206 HydrophobicContact CD2-CD1 4.38Å |
| 1201 | C | 49.3 | Very low | 60.7 | Low | 114 Ų | 114 | 104.1 Ų | 104.1 | 77% | 0.77 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71 | 74 | -173.1 | -162.4 | 0 | 0 | 0 | 0 | 113.5 | R1197 E1198 | R1197-C1201 PolarHBondContact O-N 2.98Å; E1198-C1201 VanDerWaalsContact O-CB 3.22Å; E1198-C1201 WeakPolarHBondContact O-CB 3.48Å; E1198-C1201 PolarHBondContact O-N 3.34Å; E1198-C1201 VanDerWaalsContact O-N 3.09Å |
| 1202 | G | 54.3 | Low | 60.9 | Low | 75 Ų | 75 | 101.6 Ų | 101.6 | 77% | 0.773 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 159.3 | -20.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | L1200 L1204 | L1200-G1202 VanDerWaalsContact C-N 3.27Å; L1200-G1202 PolarHBondContact O-N 3.11Å; G1202-L1204 PolarHBondContact O-N 3.18Å |
| 1203 | S | 52.4 | Low | 61.5 | Low | 61 Ų | 61 | 99.3 Ų | 99.3 | 43% | 0.427 | 52% | 0.52 | S | S | . | . | trans | -89.3 | 98.7 | -179.1 | -170.5 | 0 | 0 | 0 | 0 | 112.3 | L1200 R1205 L1206 | L1200-S1203 PolarHBondContact O-N 3.25Å; L1200-S1203 VanDerWaalsContact O-N 3.12Å; S1203-R1205 PolarHBondContact O-N 3.14Å; S1203-L1206 PolarHBondContact O-N 3.36Å | ||
| 1204 | L | 48.1 | Very low | 62.4 | Low | 174 Ų | 174 | 98.6 Ų | 98.6 | 91% | 0.911 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | -3 | 177.6 | -88 | 164.9 | 0 | 0 | 0 | 116 | G1202 | G1202-L1204 PolarHBondContact O-N 3.18Š|
| 1205 | R | 49.8 | Very low | 63.3 | Low | 230 Ų | 230 | 96.5 Ų | 96.5 | 87% | 0.868 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.2 | -7 | -174.4 | -65.9 | -173.6 | 175.2 | -168.6 | -1.5 | 115.1 | S1203 | S1203-R1205 PolarHBondContact O-N 3.14Š|
| 1206 | L | 51 | Low | 63.9 | Low | 112 Ų | 112 | 94.8 Ų | 94.8 | 59% | 0.586 | 49% | 0.494 | S | S | * | . | trans | -140 | 80 | -179.9 | -68.7 | 174.6 | 0 | 0 | 0 | 110.8 | L1200 S1203 | L1200-L1206 HydrophobicContact CD1-CB 4.43Å; L1200-L1206 HydrophobicContact CD2-CB 4.3Å; L1200-L1206 HydrophobicContact CD2-CD1 4.38Å; S1203-L1206 PolarHBondContact O-N 3.36Å | ||
| 1207 | K | 52.1 | Low | 64.9 | Low | 191 Ų | 191 | 94.6 Ų | 94.6 | 83% | 0.83 | 49% | 0.493 | S | S | * | . | trans | -72.5 | 133.2 | 168.8 | -72.1 | -172.8 | 176.3 | -175.7 | 0 | 109.7 | ||||
| 1208 | P | 51.2 | Low | 65.9 | Low | 51 Ų | 51 | 88.2 Ų | 88.2 | 33% | 0.331 | 47% | 0.469 | S | S | . | . | trans | -64.1 | 153 | 171.4 | 27 | -33.8 | 0 | 0 | 0 | 111.2 | R1197 T1210 | R1197-P1208 HydrophobicContact CB-CG 4.06Å; R1197-P1208 HydrophobicContact CG-CG 4.1Å; P1208-T1210 PolarHBondContact O-N 3.1Å | ||
| 1209 | S | 59.2 | Low | 66.9 | Low | 60 Ų | 60 | 90.3 Ų | 90.3 | 42% | 0.42 | 47% | 0.472 | S | S | . | . | trans | -64.8 | 105 | -172.9 | -176 | 0 | 0 | 0 | 0 | 112.5 | K1211 E1212 | S1209-K1211 VanDerWaalsContact C-N 3.34Å; S1209-E1212 PolarHBondContact O-N 3.35Å | ||
| 1210 | T | 70.1 | Confident | 68.1 | Low | 100 Ų | 100 | 88.4 Ų | 88.4 | 61% | 0.613 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -66.2 | -35.6 | 175.9 | 49.3 | 0 | 0 | 0 | 0 | 112.1 | P1208 E1212 L1213 R1214 | P1208-T1210 PolarHBondContact O-N 3.1Å; T1210-E1212 PolarHBondContact O-N 3.44Å; T1210-L1213 WeakPolarHBondContact O-CB 3.14Å; T1210-L1213 PolarHBondContact O-N 2.94Å; T1210-R1214 PolarHBondContact O-N 3.03Å |
| 1211 | K | 75.5 | Confident | 69.5 | Low | 64 Ų | 64 | 86.8 Ų | 86.8 | 28% | 0.278 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -48.9 | -47.7 | 171.9 | 173.5 | 170.9 | -169.6 | -174.5 | 0 | 111.7 | S1209 L1213 R1214 H1215 D1512 D1515 S1517 | S1209-K1211 VanDerWaalsContact C-N 3.34Å; K1211-L1213 PolarHBondContact O-N 3.45Å; K1211-R1214 WeakPolarHBondContact O-CB 3.36Å; K1211-R1214 PolarHBondContact O-N 2.58Å; K1211-H1215 WeakPolarHBondContact CE-CE1 3.49Å; K1211-H1215 WeakPolarHBondContact CE-NE2 3.49Å; K1211-H1215 WeakPolarHBondContact O-CB 3.48Å; K1211-H1215 PolarHBondContact O-CD2 2.89Å; K1211-H1215 PolarHBondContact O-N 2.89Å; K1211-D1512 WeakPolarHBondContact CG-OD2 3.43Å; K1211-D1515 VanDerWaalsContact NZ-CG 3.29Å; K1211-D1515 IonicContact NZ-OD1 3.64Å; K1211-D1515 PolarHBondContact NZ-OD1 3.22Å; K1211-D1515 VanDerWaalsContact NZ-OD1 3.15Å; K1211-D1515 IonicContact NZ-OD2 3.81Å; K1211-D1515 PolarHBondContact NZ-OD2 3.34Å; K1211-S1517 WeakPolarHBondContact CE-OG 3.44Å; K1211-S1517 PolarHBondContact NZ-OG 2.89Å |
| 1212 | E | 74.1 | Confident | 71.4 | Confident | 30 Ų | 30 | 84.1 Ų | 84.1 | 14% | 0.14 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -70 | -19.3 | -174.5 | -125.3 | -175.1 | -96.4 | 0 | 0 | 113.1 | N1185 T1188 R1193 S1209 T1210 | N1185-E1212 PolarHBondContact ND2-OE1 3.37Å; T1188-E1212 PolarHBondContact OG1-OE2 3.49Å; T1188-E1212 VanDerWaalsContact OG1-OE2 3.12Å; R1193-E1212 WeakPolarHBondContact CD-OE2 3.48Å; R1193-E1212 IonicContact CZ-OE2 2.64Å; R1193-E1212 VanDerWaalsContact NH1-CB 3.33Å; R1193-E1212 VanDerWaalsContact NH1-CG 3.31Å; R1193-E1212 PolarHBondContact NH1-O 3.37Å; R1193-E1212 IonicContact NH1-OE2 2.58Å; R1193-E1212 PolarHBondContact NH1-OE2 3.37Å; R1193-E1212 PolarHBondContact NH2-O 3.36Å; S1209-E1212 PolarHBondContact O-N 3.35Å; T1210-E1212 PolarHBondContact O-N 3.44Å |
| 1213 | L | 78.5 | Confident | 72.9 | Confident | 59 Ų | 59 | 82.4 Ų | 82.4 | 31% | 0.309 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -85 | -44.4 | 170 | -178.7 | 61.5 | 0 | 0 | 0 | 111.6 | T1210 K1211 H1215 F1216 L1217 | T1210-L1213 WeakPolarHBondContact O-CB 3.14Å; T1210-L1213 PolarHBondContact O-N 2.94Å; K1211-L1213 PolarHBondContact O-N 3.45Å; L1213-H1215 VanDerWaalsContact C-N 3.33Å; L1213-H1215 PolarHBondContact O-N 3.47Å; L1213-F1216 WeakPolarHBondContact O-CA 3.42Å; L1213-F1216 WeakPolarHBondContact O-CB 3.47Å; L1213-F1216 PolarHBondContact O-N 2.97Å; L1213-L1217 HydrophobicContact CD1-CD1 4.48Å; L1213-L1217 HydrophobicContact CG-CD1 4.23Å; L1213-L1217 WeakPolarHBondContact O-CG 3.2Å; L1213-L1217 PolarHBondContact O-N 3.14Å |
| 1214 | R | 84.3 | Confident | 74.4 | Confident | 22 Ų | 22 | 83 Ų | 83 | 8% | 0.083 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -53.6 | -48.7 | 173.1 | 178.8 | -169.5 | -64 | 153.7 | 2.3 | 111.8 | T1210 K1211 F1216 L1217 H1218 D1480 V1481 D1512 I1519 | T1210-R1214 PolarHBondContact O-N 3.03Å; K1211-R1214 WeakPolarHBondContact O-CB 3.36Å; K1211-R1214 PolarHBondContact O-N 2.58Å; R1214-F1216 PolarHBondContact O-N 3.5Å; R1214-L1217 PolarHBondContact O-N 3.39Å; R1214-L1217 VanDerWaalsContact O-N 3.16Å; R1214-H1218 PolarHBondContact O-CD2 3.5Å; R1214-H1218 PolarHBondContact O-N 3.1Å; R1214-D1480 VanDerWaalsContact CD-O 3.32Å; R1214-D1480 WeakPolarHBondContact CD-O 3.42Å; R1214-D1480 IonicContact CZ-OD2 3.4Å; R1214-D1480 PolarHBondContact NE-O 2.89Å; R1214-D1480 IonicContact NE-OD2 2.88Å; R1214-D1480 PolarHBondContact NE-OD2 3.31Å; R1214-D1480 IonicContact NH2-OD2 3.81Å; R1214-D1480 PolarHBondContact NH2-OD2 3.47Å; R1214-V1481 HydrophobicContact CG-CG2 3.43Å; R1214-V1481 VanDerWaalsContact CG-CG2 3.43Å; R1214-D1512 IonicContact CZ-OD1 3.37Å; R1214-D1512 IonicContact NH1-OD1 3.2Å; R1214-D1512 PolarHBondContact NH1-OD1 3.16Å; R1214-D1512 IonicContact NH1-OD2 3.26Å; R1214-D1512 PolarHBondContact NH1-OD2 3.36Å; R1214-I1519 HydrophobicContact CG-CD1 4.29Å |
| 1215 | H | 86.8 | Confident | 76.1 | Confident | 45 Ų | 45 | 75.7 Ų | 75.7 | 21% | 0.208 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -63 | -21.9 | 176.6 | -80 | -126.2 | 0 | 0 | 0 | 113.8 | K1211 L1213 R1219 D1512 S1517 | K1211-H1215 WeakPolarHBondContact CE-CE1 3.49Å; K1211-H1215 WeakPolarHBondContact CE-NE2 3.49Å; K1211-H1215 WeakPolarHBondContact O-CB 3.48Å; K1211-H1215 PolarHBondContact O-CD2 2.89Å; K1211-H1215 PolarHBondContact O-N 2.89Å; L1213-H1215 VanDerWaalsContact C-N 3.33Å; L1213-H1215 PolarHBondContact O-N 3.47Å; H1215-R1219 VanDerWaalsContact O-CB 3.24Å; H1215-R1219 WeakPolarHBondContact O-CB 3.47Å; H1215-D1512 IonicContact CD2-OD2 2.83Å; H1215-D1512 PolarHBondContact CD2-OD2 2.99Å; H1215-D1512 WeakPolarHBondContact NE2-CB 3.46Å; H1215-D1512 IonicContact NE2-OD2 3.07Å; H1215-D1512 PolarHBondContact NE2-OD2 3.26Å; H1215-S1517 PolarHBondContact CE1-OG 3.4Å; H1215-S1517 VanDerWaalsContact CE1-OG 3.32Å |
| 1216 | F | 83.7 | Confident | 77.9 | Confident | 63 Ų | 63 | 67.7 Ų | 67.7 | 28% | 0.276 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -87.5 | -30.5 | 177.6 | 174.7 | -84.7 | 0 | 0 | 0 | 111.8 | C1190 L1213 R1214 R1220 | C1190-F1216 HydrophobicContact CB-CE2 3.95Å; C1190-F1216 HydrophobicContact CB-CZ 3.95Å; L1213-F1216 WeakPolarHBondContact O-CA 3.42Å; L1213-F1216 WeakPolarHBondContact O-CB 3.47Å; L1213-F1216 PolarHBondContact O-N 2.97Å; R1214-F1216 PolarHBondContact O-N 3.5Å; F1216-R1220 WeakPolarHBondContact O-CD 3.25Å |
| 1217 | L | 86.3 | Confident | 79.6 | Confident | 66 Ų | 66 | 63.2 Ų | 63.2 | 35% | 0.346 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -79.7 | -61 | 176.2 | -65.7 | 170.1 | 0 | 0 | 0 | 111.3 | L1213 R1214 R1219 R1220 G1564 | L1213-L1217 HydrophobicContact CD1-CD1 4.48Å; L1213-L1217 HydrophobicContact CG-CD1 4.23Å; L1213-L1217 WeakPolarHBondContact O-CG 3.2Å; L1213-L1217 PolarHBondContact O-N 3.14Å; R1214-L1217 PolarHBondContact O-N 3.39Å; R1214-L1217 VanDerWaalsContact O-N 3.16Å; L1217-R1219 PolarHBondContact O-N 3.19Å; L1217-R1220 PolarHBondContact O-N 2.77Å; L1217-G1564 WeakPolarHBondContact O-CA 3.46Å; L1217-G1564 PolarHBondContact O-N 3.47Å |
| 1218 | H | 87.9 | Confident | 80.9 | Confident | 17 Ų | 17 | 61 Ų | 61 | 8% | 0.079 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | 16.8 | -173 | -59.8 | -85.1 | 0 | 0 | 0 | 114.7 | R1214 F1221 V1481 Y1483 T1510 I1519 | R1214-H1218 PolarHBondContact O-CD2 3.5Å; R1214-H1218 PolarHBondContact O-N 3.1Å; H1218-F1221 VanDerWaalsContact O-CZ 3.31Å; H1218-F1221 WeakPolarHBondContact O-CZ 3.3Å; H1218-V1481 HydrophobicContact CB-CG1 4.16Å; H1218-V1481 HydrophobicContact CB-CG2 4.22Å; H1218-Y1483 AromaticContact ND1-CZ 3.84Å; H1218-Y1483 PolarHBondContact ND1-OH 3.48Å; H1218-T1510 PolarHBondContact O-OG1 3Å; H1218-I1519 VanDerWaalsContact C-CG2 3.48Å; H1218-I1519 HydrophobicContact CB-CD1 4.32Å; H1218-I1519 HydrophobicContact CB-CG2 4.22Å; H1218-I1519 WeakPolarHBondContact O-CG2 3.44Å |
| 1219 | R | 88.4 | Confident | 81.8 | Confident | 179 Ų | 179 | 60.6 Ų | 60.6 | 68% | 0.675 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.7 | 0.6 | 166.8 | -178.8 | 163.6 | -179.7 | -170.4 | -0.7 | 112.2 | H1215 L1217 I1519 A1520 | H1215-R1219 VanDerWaalsContact O-CB 3.24Å; H1215-R1219 WeakPolarHBondContact O-CB 3.47Å; L1217-R1219 PolarHBondContact O-N 3.19Å; R1219-I1519 HydrophobicContact CB-CG2 3.83Å; R1219-I1519 WeakPolarHBondContact CD-O 3.33Å; R1219-A1520 HydrophobicContact CB-CB 4.3Å; R1219-A1520 HydrophobicContact CG-CB 4.1Å |
| 1220 | R | 87.8 | Confident | 81.9 | Confident | 90 Ų | 90 | 62.3 Ų | 62.3 | 34% | 0.34 | 31% | 0.313 | S | S | . | . | trans | -133 | 120.8 | -169.3 | -68.8 | -177.6 | 176.7 | -175.7 | -3.1 | 109.2 | F1216 L1217 G1564 R1565 | F1216-R1220 WeakPolarHBondContact O-CD 3.25Å; L1217-R1220 PolarHBondContact O-N 2.77Å; R1220-G1564 VanDerWaalsContact CD-O 3.27Å; R1220-G1564 WeakPolarHBondContact CD-O 3.46Å; R1220-G1564 PolarHBondContact O-N 3.41Å; R1220-R1565 CarbonylContact C-O 3.47Å; R1220-R1565 WeakPolarHBondContact CB-O 3.21Å | ||
| 1221 | F | 89.4 | Confident | 81.4 | Confident | 20 Ų | 20 | 63.5 Ų | 63.5 | 9% | 0.088 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 127.3 | 177.6 | -52.9 | -79.2 | 0 | 0 | 0 | 106.1 | H1218 Y1483 F1508 T1510 V1522 L1540 Y1561 M1562 I1563 R1565 | H1218-F1221 VanDerWaalsContact O-CZ 3.31Å; H1218-F1221 WeakPolarHBondContact O-CZ 3.3Å; F1221-Y1483 AromaticContact CE1-CE1 3.83Å; F1221-Y1483 HydrophobicContact CE1-CE1 3.83Å; F1221-Y1483 AromaticContact CZ-CE1 4Å; F1221-Y1483 HydrophobicContact CZ-CE1 4Å; F1221-F1508 HydrophobicContact CD2-CE2 4.36Å; F1221-F1508 HydrophobicContact CD2-CZ 4.11Å; F1221-F1508 HydrophobicContact CE1-CE2 4.37Å; F1221-F1508 HydrophobicContact CE2-CE2 4.02Å; F1221-F1508 HydrophobicContact CE2-CZ 4.23Å; F1221-F1508 HydrophobicContact CG-CZ 4.26Å; F1221-F1508 HydrophobicContact CZ-CE2 4.04Å; F1221-T1510 HydrophobicContact CE2-CG2 4.43Å; F1221-T1510 HydrophobicContact CZ-CG2 3.83Å; F1221-V1522 HydrophobicContact CD2-CG2 3.75Å; F1221-V1522 HydrophobicContact CE2-CG2 3.81Å; F1221-L1540 HydrophobicContact CD1-CD2 3.8Å; F1221-L1540 HydrophobicContact CE1-CD2 4.03Å; F1221-Y1561 HydrophobicContact CB-CD1 3.77Å; F1221-Y1561 HydrophobicContact CB-CE1 4.5Å; F1221-Y1561 HydrophobicContact CB-CG 4.32Å; F1221-M1562 WeakPolarHBondContact CA-O 3.07Å; F1221-I1563 HydrophobicContact CD1-CG1 4.17Å; F1221-I1563 HydrophobicContact CE1-CG1 4.09Å; F1221-I1563 HydrophobicContact CE1-CG2 4.36Å; F1221-R1565 CarbonylContact C-O 3.58Å; F1221-R1565 VanDerWaalsContact C-O 3.3Å; F1221-R1565 PolarHBondContact N-O 2.99Å |
| 1222 | Q | 88.1 | Confident | 81.1 | Confident | 58 Ų | 58 | 68.2 Ų | 68.2 | 27% | 0.271 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 120.4 | 171.4 | 178.9 | -173.1 | -8.3 | 0 | 0 | 106.5 | T1224 Y1561 M1562 R1565 | Q1222-T1224 PolarHBondContact O-N 3.39Å; Q1222-T1224 PolarHBondContact O-OG1 2.89Å; Q1222-Y1561 CarbonylContact O-C 3.59Å; Q1222-Y1561 VanDerWaalsContact O-CA 3.23Å; Q1222-Y1561 WeakPolarHBondContact O-CA 3.36Å; Q1222-M1562 PolarHBondContact N-O 3.11Å; Q1222-M1562 PolarHBondContact O-N 2.88Å; Q1222-R1565 HydrophobicContact CB-CB 3.69Å; Q1222-R1565 PolarHBondContact N-O 3.17Å; Q1222-R1565 VanDerWaalsContact OE1-CB 3.28Å; Q1222-R1565 VanDerWaalsContact OE1-CD 3.22Å |
| 1223 | P | 85.7 | Confident | 81.4 | Confident | 39 Ų | 39 | 68.3 Ų | 68.3 | 25% | 0.253 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.8 | 135.9 | 169.1 | 28 | -33.6 | 0 | 0 | 0 | 109.1 | R1559 Y1561 | P1223-R1559 HydrophobicContact CB-CG 4.37Å; P1223-Y1561 HydrophobicContact CB-CD1 4.17Å; P1223-Y1561 HydrophobicContact CB-CE1 4.2Å |
| 1224 | T | 84.5 | Confident | 81.6 | Confident | 72 Ų | 72 | 67.9 Ų | 67.9 | 44% | 0.442 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | -49.1 | -174.6 | -53.1 | 0 | 0 | 0 | 0 | 110.5 | Q1222 I1560 M1562 | Q1222-T1224 PolarHBondContact O-N 3.39Å; Q1222-T1224 PolarHBondContact O-OG1 2.89Å; T1224-I1560 PolarHBondContact N-O 2.97Å; T1224-M1562 HydrophobicContact CG2-CE 3.76Å; T1224-M1562 VanDerWaalsContact OG1-CE 3.26Å; T1224-M1562 WeakPolarHBondContact OG1-CE 3.41Å; T1224-M1562 WeakPolarHBondContact OG1-CG 3.48Å; T1224-M1562 PolarHBondContact OG1-N 3.27Å |
| 1225 | A | 84.6 | Confident | 81.8 | Confident | 21 Ų | 21 | 66.9 Ų | 66.9 | 17% | 0.174 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 155 | -178.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | I1560 | A1225-I1560 PolarHBondContact N-O 3.09Å; A1225-I1560 PolarHBondContact O-N 3.48Å |
| 1226 | V | 86.5 | Confident | 81.9 | Confident | 63 Ų | 63 | 65.8 Ų | 65.8 | 38% | 0.382 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 114.8 | 170.8 | 179.3 | 0 | 0 | 0 | 0 | 106.9 | R1228 Q1557 R1559 | V1226-R1228 HydrophobicContact CG1-CG 4.36Å; V1226-Q1557 HydrophobicContact CG1-CB 3.93Å; V1226-Q1557 HydrophobicContact CG1-CG 4.12Å; V1226-R1559 HydrophobicContact CG2-CB 4.43Å; V1226-R1559 HydrophobicContact CG2-CG 4.07Å |
| 1227 | I | 86 | Confident | 82.2 | Confident | 18 Ų | 18 | 62.8 Ų | 62.8 | 9% | 0.092 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 134.8 | 174.1 | -56.7 | 151.1 | 0 | 0 | 0 | 107.3 | L1247 L1249 V1259 C1558 I1560 | I1227-L1247 HydrophobicContact CD1-CD2 4.14Å; I1227-L1249 HydrophobicContact CD1-CD1 4.42Å; I1227-L1249 HydrophobicContact CG2-CD1 3.85Å; I1227-V1259 HydrophobicContact CD1-CB 4.26Å; I1227-V1259 HydrophobicContact CD1-CG1 3.78Å; I1227-V1259 HydrophobicContact CD1-CG2 4.16Å; I1227-V1259 HydrophobicContact CG1-CG1 4.34Å; I1227-V1259 HydrophobicContact CG2-CG2 4.31Å; I1227-C1558 HydrophobicContact CB-CB 4.31Å; I1227-C1558 PolarHBondContact N-O 3.13Å; I1227-C1558 PolarHBondContact O-N 3.12Å; I1227-I1560 HydrophobicContact CD1-CD1 3.72Å; I1227-I1560 HydrophobicContact CD1-CG1 4.37Å |
| 1228 | R | 81.2 | Confident | 82.6 | Confident | 143 Ų | 143 | 59.6 Ų | 59.6 | 54% | 0.54 | 31% | 0.306 | S | S | . | . | trans | -127.6 | 143.6 | 167.8 | -62.2 | -178.4 | -176.5 | 126.3 | 2 | 106.6 | V1226 Q1557 | V1226-R1228 HydrophobicContact CG1-CG 4.36Å; R1228-Q1557 HydrophobicContact CG-CB 3.93Å | ||
| 1229 | E | 69.8 | Low | 82.8 | Confident | 43 Ų | 43 | 59.7 Ų | 59.7 | 20% | 0.201 | 31% | 0.308 | C | S | . | . | trans | -62.9 | 158.5 | 163.9 | -133.7 | 81.9 | -101.1 | 0 | 0 | 108.4 | L1235 P1267 | E1229-L1235 WeakPolarHBondContact OE2-CD2 3.37Å; E1229-P1267 WeakPolarHBondContact OE1-CG 3.24Å | ||
| 1230 | A | 60.4 | Low | 82.9 | Confident | 96 Ų | 96 | 51.6 Ų | 51.6 | 79% | 0.793 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -97.7 | -7.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 1231 | D | 60.8 | Low | 83 | Confident | 126 Ų | 126 | 47.3 Ų | 47.3 | 67% | 0.674 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -121.8 | 170.1 | -177 | -51.9 | -74.9 | 0 | 0 | 0 | 108.3 | D1233 | D1231-D1233 PolarHBondContact O-N 2.97Š|
| 1232 | D | 68.6 | Low | 82.6 | Confident | 163 Ų | 163 | 51.5 Ų | 51.5 | 87% | 0.872 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -73.9 | 26.4 | -173 | -43.5 | -55.3 | 0 | 0 | 0 | 114.3 | ||
| 1233 | D | 79.1 | Confident | 81.9 | Confident | 32 Ų | 32 | 51.7 Ų | 51.7 | 17% | 0.171 | 28% | 0.282 | C | S | . | . | trans | -95.8 | 115.1 | 180 | -164.6 | 10.6 | 0 | 0 | 0 | 109.7 | D1231 L1235 S1251 N1252 S1253 | D1231-D1233 PolarHBondContact O-N 2.97Å; D1233-L1235 PolarHBondContact O-N 3.14Å; D1233-S1251 WeakPolarHBondContact OD1-CB 3.5Å; D1233-S1251 PolarHBondContact OD1-OG 3.2Å; D1233-S1251 VanDerWaalsContact OD2-CB 3.24Å; D1233-S1251 WeakPolarHBondContact OD2-CB 3.47Å; D1233-S1251 PolarHBondContact OD2-OG 3.4Å; D1233-N1252 PolarHBondContact OD1-N 3.06Å; D1233-N1252 PolarHBondContact OD1-OD1 3.37Å; D1233-S1253 VanDerWaalsContact CG-OG 3.23Å; D1233-S1253 WeakPolarHBondContact OD1-CB 3.33Å; D1233-S1253 PolarHBondContact OD1-N 3.07Å; D1233-S1253 PolarHBondContact OD1-OG 2.84Å; D1233-S1253 WeakPolarHBondContact OD2-CB 3.31Å; D1233-S1253 PolarHBondContact OD2-OG 3.44Å | ||
| 1234 | M | 84.7 | Confident | 81.2 | Confident | 49 Ų | 49 | 52.6 Ų | 52.6 | 24% | 0.241 | 29% | 0.285 | C | S | . | . | trans | -76.1 | 117.8 | -178 | -73 | -173.5 | -79.2 | 0 | 0 | 110.7 | T1236 S1251 N1252 P1554 T1556 | M1234-T1236 PolarHBondContact O-N 2.91Å; M1234-S1251 CarbonylContact O-C 3.52Å; M1234-S1251 WeakPolarHBondContact O-CA 3.25Å; M1234-S1251 WeakPolarHBondContact O-CB 3.48Å; M1234-N1252 HydrophobicContact CB-CB 4.24Å; M1234-N1252 WeakPolarHBondContact CE-ND2 3.42Å; M1234-N1252 PolarHBondContact N-OD1 2.85Å; M1234-N1252 PolarHBondContact O-N 3.35Å; M1234-P1554 HydrophobicContact SD-CB 4.29Å; M1234-P1554 HydrophobicContact SD-CG 4.12Å; M1234-T1556 WeakPolarHBondContact CA-OG1 3.42Å; M1234-T1556 HydrophobicContact CB-CG2 3.93Å; M1234-T1556 HydrophobicContact CG-CG2 4.04Å; M1234-T1556 HydrophobicContact SD-CG2 4.07Å | ||
| 1235 | L | 88.5 | Confident | 80.8 | Confident | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -51.4 | 127.5 | 160.5 | -66.7 | 168.3 | 0 | 0 | 0 | 111.3 | E1229 D1233 L1249 V1543 T1556 C1558 | E1229-L1235 WeakPolarHBondContact OE2-CD2 3.37Å; D1233-L1235 PolarHBondContact O-N 3.14Å; L1235-L1249 HydrophobicContact CD2-CB 3.83Å; L1235-L1249 HydrophobicContact CD2-CD1 3.78Å; L1235-L1249 HydrophobicContact CD2-CD2 4.38Å; L1235-L1249 HydrophobicContact CD2-CG 4.2Å; L1235-V1543 HydrophobicContact CB-CG1 4.19Å; L1235-V1543 VanDerWaalsContact O-CG1 3.23Å; L1235-V1543 WeakPolarHBondContact O-CG1 3.48Å; L1235-T1556 WeakPolarHBondContact CA-OG1 3.37Å; L1235-T1556 WeakPolarHBondContact CB-OG1 3.22Å; L1235-T1556 PolarHBondContact N-OG1 2.79Å; L1235-T1556 VanDerWaalsContact O-CB 3.25Å; L1235-T1556 WeakPolarHBondContact O-CB 3.35Å; L1235-T1556 WeakPolarHBondContact O-CG2 3.47Å; L1235-T1556 PolarHBondContact O-OG1 2.98Å; L1235-C1558 HydrophobicContact CD1-CB 4.08Å |
| 1236 | T | 88.1 | Confident | 80.8 | Confident | 22 Ų | 22 | 52.2 Ų | 52.2 | 14% | 0.135 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | -34.7 | -179.8 | 49.3 | 0 | 0 | 0 | 0 | 112.9 | M1234 G1250 S1251 N1252 I1278 | M1234-T1236 PolarHBondContact O-N 2.91Å; T1236-G1250 PolarHBondContact N-O 3.31Å; T1236-G1250 PolarHBondContact OG1-O 3.47Å; T1236-S1251 VanDerWaalsContact OG1-C 3.25Å; T1236-S1251 PolarHBondContact OG1-O 2.96Å; T1236-N1252 HydrophobicContact CG2-CB 4.03Å; T1236-I1278 PolarHBondContact OG1-O 2.98Å; T1236-I1278 VanDerWaalsContact OG1-O 3.06Å |
| 1237 | A | 90.6 | Very high | 81 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 155.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | L1249 G1250 I1278 L1281 | A1237-L1249 WeakPolarHBondContact O-CA 3.39Å; A1237-G1250 PolarHBondContact N-O 3.41Å; A1237-G1250 PolarHBondContact O-N 2.82Å; A1237-I1278 HydrophobicContact CB-CB 4.23Å; A1237-I1278 HydrophobicContact CB-CG2 3.75Å; A1237-I1278 VanDerWaalsContact CB-O 3.32Å; A1237-I1278 WeakPolarHBondContact CB-O 3.42Å; A1237-L1281 HydrophobicContact CB-CD1 4.18Å; A1237-L1281 HydrophobicContact CB-CG 4.04Å |
| 1238 | C | 93 | Very high | 81.3 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 150.6 | 172.4 | 67.3 | 0 | 0 | 0 | 0 | 113.6 | L1247 F1248 L1249 Q1530 A1532 V1543 | C1238-L1247 HydrophobicContact CB-CD1 4.27Å; C1238-F1248 CarbonylContact C-O 3.55Å; C1238-F1248 VanDerWaalsContact CA-O 3.28Å; C1238-F1248 WeakPolarHBondContact CA-O 3.5Å; C1238-L1249 HydrophobicContact CB-CD2 3.75Å; C1238-Q1530 PolarHBondContact O-NE2 3.49Å; C1238-Q1530 PolarHBondContact O-OE1 3.12Å; C1238-A1532 VanDerWaalsContact SG-CB 3.56Å; C1238-V1543 HydrophobicContact CB-CG2 3.98Å |
| 1239 | C | 92.9 | Very high | 81.8 | Confident | 18 Ų | 18 | 41.5 Ų | 41.5 | 12% | 0.122 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | 125 | 174.3 | -168.4 | 0 | 0 | 0 | 0 | 112 | F1248 L1281 | C1239-F1248 PolarHBondContact N-O 3.44Å; C1239-F1248 WeakPolarHBondContact O-CD2 3.5Å; C1239-F1248 PolarHBondContact O-N 2.92Å; C1239-L1281 HydrophobicContact CB-CB 3.74Å |
| 1240 | F | 91.7 | Very high | 82.8 | Confident | 10 Ų | 10 | 39.5 Ų | 39.5 | 4% | 0.044 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 145.6 | 172.8 | -75.5 | -82.5 | 0 | 0 | 0 | 111.5 | L1247 V1261 A1532 L1533 D1534 A1541 | F1240-L1247 HydrophobicContact CD1-CD1 3.97Å; F1240-L1247 HydrophobicContact CD2-CD1 4Å; F1240-L1247 HydrophobicContact CE1-CD1 4.1Å; F1240-L1247 HydrophobicContact CE2-CD1 4.14Å; F1240-L1247 HydrophobicContact CG-CD1 3.92Å; F1240-L1247 HydrophobicContact CZ-CD1 4.19Å; F1240-V1261 HydrophobicContact CE1-CG2 4.4Å; F1240-A1532 HydrophobicContact CD2-CB 4.07Å; F1240-A1532 HydrophobicContact CE2-CB 4.37Å; F1240-L1533 VanDerWaalsContact CD2-C 3.44Å; F1240-D1534 HydrophobicContact CB-CB 4.43Å; F1240-D1534 HydrophobicContact CD1-CB 3.93Å; F1240-D1534 HydrophobicContact CD2-CB 4Å; F1240-D1534 HydrophobicContact CE1-CB 4.13Å; F1240-D1534 HydrophobicContact CE2-CB 4.18Å; F1240-D1534 HydrophobicContact CG-CB 3.86Å; F1240-D1534 HydrophobicContact CZ-CB 4.25Å; F1240-A1541 HydrophobicContact CE2-CB 3.65Å; F1240-A1541 HydrophobicContact CZ-CB 3.86Å |
| 1241 | S | 88 | Confident | 84.2 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.182 | C | C | . | . | trans | -64.8 | 149.8 | 170.7 | -175.2 | 0 | 0 | 0 | 0 | 111.9 | T1243 D1244 G1246 H1283 | S1241-T1243 PolarHBondContact O-N 2.89Å; S1241-T1243 PolarHBondContact OG-N 2.79Å; S1241-T1243 PolarHBondContact OG-OG1 2.86Å; S1241-D1244 PolarHBondContact O-N 3.3Å; S1241-D1244 VanDerWaalsContact O-N 3.1Å; S1241-G1246 PolarHBondContact N-O 3.49Å; S1241-H1283 PolarHBondContact OG-CE1 2.99Å; S1241-H1283 PolarHBondContact OG-ND1 3.43Å | ||
| 1242 | R | 82.5 | Confident | 85.5 | Confident | 108 Ų | 108 | 31.8 Ų | 31.8 | 41% | 0.408 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -5.2 | 170.2 | -57.6 | -53 | -167.2 | 154.1 | -1.9 | 114.1 | H1283 T1284 | R1242-H1283 HydrophobicContact CG-CB 4.27Å; R1242-H1283 PolarHBondContact N-ND1 3.01Å; R1242-H1283 PolarHBondContact NE-O 3.26Å; R1242-T1284 WeakPolarHBondContact CG-O 3.08Å |
| 1243 | T | 73.8 | Confident | 86.3 | Confident | 61 Ų | 61 | 25.9 Ų | 25.9 | 37% | 0.374 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | -4.4 | 170 | 59.8 | 0 | 0 | 0 | 0 | 112.4 | S1241 D1245 W1320 | S1241-T1243 PolarHBondContact O-N 2.89Å; S1241-T1243 PolarHBondContact OG-N 2.79Å; S1241-T1243 PolarHBondContact OG-OG1 2.86Å; T1243-D1245 WeakPolarHBondContact CB-OD2 3.34Å; T1243-D1245 PolarHBondContact O-N 3.45Å; T1243-D1245 PolarHBondContact OG1-OD2 2.87Å; T1243-W1320 HydrophobicContact CG2-CH2 4.48Å; T1243-W1320 HydrophobicContact CG2-CZ2 4.43Å |
| 1244 | D | 69.9 | Low | 86.6 | Confident | 58 Ų | 58 | 24.3 Ų | 24.3 | 31% | 0.31 | 13% | 0.128 | S | C | . | . | S | Bend | trans | 59.4 | -1.9 | -173 | -55.7 | -21.2 | 0 | 0 | 0 | 115.7 | S1241 G1246 T1535 A1536 | S1241-D1244 PolarHBondContact O-N 3.3Å; S1241-D1244 VanDerWaalsContact O-N 3.1Å; D1244-G1246 PolarHBondContact O-N 3.21Å; D1244-T1535 VanDerWaalsContact CG-OG1 3.26Å; D1244-T1535 VanDerWaalsContact OD1-CB 3.28Å; D1244-T1535 WeakPolarHBondContact OD1-CB 3.28Å; D1244-T1535 WeakPolarHBondContact OD1-CG2 3.47Å; D1244-T1535 PolarHBondContact OD1-N 3.48Å; D1244-T1535 PolarHBondContact OD1-OG1 3.4Å; D1244-T1535 PolarHBondContact OD2-OG1 3.36Å; D1244-T1535 VanDerWaalsContact OD2-OG1 3.07Å; D1244-A1536 PolarHBondContact OD2-N 2.72Å |
| 1245 | D | 76.6 | Confident | 86.8 | Confident | 85 Ų | 85 | 22.7 Ų | 22.7 | 46% | 0.455 | 12% | 0.123 | S | C | . | . | S | Bend | trans | -66.1 | -1.8 | -179.5 | -46.7 | -57.5 | 0 | 0 | 0 | 115.9 | T1243 W1258 N1260 | T1243-D1245 WeakPolarHBondContact CB-OD2 3.34Å; T1243-D1245 PolarHBondContact O-N 3.45Å; T1243-D1245 PolarHBondContact OG1-OD2 2.87Å; D1245-W1258 HydrophobicContact CB-CZ2 4.39Å; D1245-N1260 PolarHBondContact O-OD1 3.13Å |
| 1246 | G | 85.2 | Confident | 86.8 | Confident | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 12% | 0.122 | C | C | . | . | trans | 160.8 | -171 | -175.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | S1241 D1244 W1258 V1259 | S1241-G1246 PolarHBondContact N-O 3.49Å; D1244-G1246 PolarHBondContact O-N 3.21Å; G1246-W1258 VanDerWaalsContact C-CH2 3.43Å; G1246-W1258 VanDerWaalsContact CA-CH2 3.43Å; G1246-V1259 VanDerWaalsContact CA-O 3.29Å; G1246-V1259 WeakPolarHBondContact CA-O 3.46Å | ||
| 1247 | L | 90.5 | Very high | 86.9 | Confident | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 128.3 | -167.9 | -174.5 | 70.9 | 0 | 0 | 0 | 110.6 | I1227 C1238 F1240 L1249 V1259 V1261 A1541 I1560 | I1227-L1247 HydrophobicContact CD1-CD2 4.14Å; C1238-L1247 HydrophobicContact CB-CD1 4.27Å; F1240-L1247 HydrophobicContact CD1-CD1 3.97Å; F1240-L1247 HydrophobicContact CD2-CD1 4Å; F1240-L1247 HydrophobicContact CE1-CD1 4.1Å; F1240-L1247 HydrophobicContact CE2-CD1 4.14Å; F1240-L1247 HydrophobicContact CG-CD1 3.92Å; F1240-L1247 HydrophobicContact CZ-CD1 4.19Å; L1247-L1249 HydrophobicContact CD2-CD2 3.72Å; L1247-L1249 HydrophobicContact CD2-CG 4.33Å; L1247-L1249 HydrophobicContact CG-CD2 4.1Å; L1247-L1249 HydrophobicContact CG-CG 4.49Å; L1247-V1259 PolarHBondContact N-O 2.98Å; L1247-V1259 PolarHBondContact O-N 2.84Å; L1247-V1261 HydrophobicContact CB-CG2 3.68Å; L1247-A1541 HydrophobicContact CD1-CB 4.18Å; L1247-A1541 HydrophobicContact CD2-CB 4.23Å; L1247-I1560 HydrophobicContact CD2-CD1 4.06Å; L1247-I1560 HydrophobicContact CD2-CG1 4.5Å |
| 1248 | F | 92.1 | Very high | 86.8 | Confident | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 137.9 | 161.9 | -60.3 | -86.4 | 0 | 0 | 0 | 109.4 | C1238 C1239 A1257 W1258 L1270 L1281 H1283 L1290 L1306 W1320 | C1238-F1248 CarbonylContact C-O 3.55Å; C1238-F1248 VanDerWaalsContact CA-O 3.28Å; C1238-F1248 WeakPolarHBondContact CA-O 3.5Å; C1239-F1248 PolarHBondContact N-O 3.44Å; C1239-F1248 WeakPolarHBondContact O-CD2 3.5Å; C1239-F1248 PolarHBondContact O-N 2.92Å; F1248-A1257 CarbonylContact C-O 3.3Å; F1248-A1257 WeakPolarHBondContact CA-O 3.46Å; F1248-W1258 AromaticContact CD1-CE3 3.79Å; F1248-W1258 HydrophobicContact CD1-CE3 3.79Å; F1248-W1258 HydrophobicContact CD1-CZ3 4.37Å; F1248-W1258 HydrophobicContact CD2-CE3 4.08Å; F1248-W1258 AromaticContact CD2-CZ3 3.86Å; F1248-W1258 HydrophobicContact CD2-CZ3 3.86Å; F1248-W1258 AromaticContact CE1-CE3 3.67Å; F1248-W1258 HydrophobicContact CE1-CE3 3.67Å; F1248-W1258 HydrophobicContact CE1-CZ3 4.11Å; F1248-W1258 AromaticContact CE2-CE3 3.95Å; F1248-W1258 HydrophobicContact CE2-CE3 3.95Å; F1248-W1258 AromaticContact CE2-CZ3 3.55Å; F1248-W1258 HydrophobicContact CE2-CZ3 3.55Å; F1248-W1258 AromaticContact CG-CE3 3.99Å; F1248-W1258 HydrophobicContact CG-CE3 3.99Å; F1248-W1258 HydrophobicContact CG-CZ3 4.26Å; F1248-W1258 AromaticContact CZ-CE3 3.74Å; F1248-W1258 HydrophobicContact CZ-CE3 3.74Å; F1248-W1258 AromaticContact CZ-CZ3 3.68Å; F1248-W1258 HydrophobicContact CZ-CZ3 3.68Å; F1248-L1270 HydrophobicContact CD1-CD1 3.91Å; F1248-L1270 HydrophobicContact CE1-CD1 3.65Å; F1248-L1281 HydrophobicContact CB-CD1 4.1Å; F1248-H1283 HydrophobicContact CD2-CB 4.47Å; F1248-H1283 HydrophobicContact CE2-CB 4.08Å; F1248-H1283 AromaticContact CE2-CG 3.84Å; F1248-H1283 AromaticContact CE2-ND1 3.49Å; F1248-H1283 WeakPolarHBondContact CE2-ND1 3.31Å; F1248-L1290 HydrophobicContact CD1-CD2 3.91Å; F1248-L1290 HydrophobicContact CD2-CD1 4.24Å; F1248-L1290 HydrophobicContact CE1-CD2 4.17Å; F1248-L1290 HydrophobicContact CE2-CD1 4.46Å; F1248-L1290 HydrophobicContact CG-CD1 4.28Å; F1248-L1290 HydrophobicContact CG-CD2 4.36Å; F1248-L1306 HydrophobicContact CE1-CD1 3.94Å; F1248-L1306 HydrophobicContact CZ-CD1 3.54Å; F1248-W1320 AromaticContact CE1-CD1 3.94Å; F1248-W1320 AromaticContact CZ-CD1 3.79Å; F1248-W1320 HydrophobicContact CZ-CG 4.49Å; F1248-W1320 AromaticContact CZ-NE1 3.63Å |
| 1249 | L | 92.2 | Very high | 86.6 | Confident | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 153.9 | 171.7 | -65.5 | 177.3 | 0 | 0 | 0 | 109.3 | I1227 L1235 A1237 C1238 L1247 I1256 A1257 V1259 L1281 C1558 | I1227-L1249 HydrophobicContact CD1-CD1 4.42Å; I1227-L1249 HydrophobicContact CG2-CD1 3.85Å; L1235-L1249 HydrophobicContact CD2-CB 3.83Å; L1235-L1249 HydrophobicContact CD2-CD1 3.78Å; L1235-L1249 HydrophobicContact CD2-CD2 4.38Å; L1235-L1249 HydrophobicContact CD2-CG 4.2Å; A1237-L1249 WeakPolarHBondContact O-CA 3.39Å; C1238-L1249 HydrophobicContact CB-CD2 3.75Å; L1247-L1249 HydrophobicContact CD2-CD2 3.72Å; L1247-L1249 HydrophobicContact CD2-CG 4.33Å; L1247-L1249 HydrophobicContact CG-CD2 4.1Å; L1247-L1249 HydrophobicContact CG-CG 4.49Å; L1249-I1256 CarbonylContact O-C 3.34Å; L1249-I1256 WeakPolarHBondContact O-CA 3.44Å; L1249-A1257 HydrophobicContact CB-CB 4.44Å; L1249-A1257 PolarHBondContact N-O 2.7Å; L1249-A1257 PolarHBondContact O-N 2.63Å; L1249-V1259 HydrophobicContact CD1-CG2 3.79Å; L1249-L1281 VanDerWaalsContact C-CD1 3.49Å; L1249-C1558 HydrophobicContact CD2-CB 3.95Å |
| 1250 | G | 90.7 | Very high | 86.2 | Confident | 1 Ų | 1 | 23.3 Ų | 23.3 | 1% | 0.01 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 147.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | T1236 A1237 A1255 | T1236-G1250 PolarHBondContact N-O 3.31Å; T1236-G1250 PolarHBondContact OG1-O 3.47Å; A1237-G1250 PolarHBondContact N-O 3.41Å; A1237-G1250 PolarHBondContact O-N 2.82Å; G1250-A1255 VanDerWaalsContact CA-O 3.31Å; G1250-A1255 WeakPolarHBondContact CA-O 3.46Å |
| 1251 | S | 89.3 | Confident | 85.7 | Confident | 1 Ų | 1 | 24.6 Ų | 24.6 | 1% | 0.007 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 178.9 | -170.9 | 69 | 0 | 0 | 0 | 0 | 114.1 | D1233 M1234 T1236 S1253 G1254 A1255 I1278 | D1233-S1251 WeakPolarHBondContact OD1-CB 3.5Å; D1233-S1251 PolarHBondContact OD1-OG 3.2Å; D1233-S1251 VanDerWaalsContact OD2-CB 3.24Å; D1233-S1251 WeakPolarHBondContact OD2-CB 3.47Å; D1233-S1251 PolarHBondContact OD2-OG 3.4Å; M1234-S1251 CarbonylContact O-C 3.52Å; M1234-S1251 WeakPolarHBondContact O-CA 3.25Å; M1234-S1251 WeakPolarHBondContact O-CB 3.48Å; T1236-S1251 VanDerWaalsContact OG1-C 3.25Å; T1236-S1251 PolarHBondContact OG1-O 2.96Å; S1251-S1253 PolarHBondContact OG-OG 3.01Å; S1251-G1254 PolarHBondContact O-N 3.15Å; S1251-A1255 PolarHBondContact N-O 3.16Å; S1251-A1255 VanDerWaalsContact N-O 3.15Å; S1251-A1255 WeakPolarHBondContact OG-CB 3.31Å; S1251-A1255 PolarHBondContact OG-N 3.4Å; S1251-I1278 PolarHBondContact O-N 3.17Å; S1251-I1278 VanDerWaalsContact O-N 3.12Å |
| 1252 | N | 87.6 | Confident | 85.1 | Confident | 58 Ų | 58 | 33.1 Ų | 33.1 | 31% | 0.31 | 17% | 0.173 | S | C | . | . | S | Bend | trans | -75.5 | -25.4 | 176.8 | 77 | -49 | 0 | 0 | 0 | 112.3 | D1233 M1234 T1236 G1254 S1276 S1277 | D1233-N1252 PolarHBondContact OD1-N 3.06Å; D1233-N1252 PolarHBondContact OD1-OD1 3.37Å; M1234-N1252 HydrophobicContact CB-CB 4.24Å; M1234-N1252 WeakPolarHBondContact CE-ND2 3.42Å; M1234-N1252 PolarHBondContact N-OD1 2.85Å; M1234-N1252 PolarHBondContact O-N 3.35Å; T1236-N1252 HydrophobicContact CG2-CB 4.03Å; N1252-G1254 VanDerWaalsContact C-N 3.27Å; N1252-G1254 PolarHBondContact O-N 2.89Å; N1252-S1276 CarbonylContact O-C 3.51Å; N1252-S1277 WeakPolarHBondContact O-CA 3.45Å; N1252-S1277 PolarHBondContact O-N 3.4Å |
| 1253 | S | 85.6 | Confident | 84.7 | Confident | 39 Ų | 39 | 35 Ų | 35 | 27% | 0.273 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -71 | -17.4 | 170.9 | 82.8 | 0 | 0 | 0 | 0 | 114 | D1233 S1251 A1255 H1272 S1275 | D1233-S1253 VanDerWaalsContact CG-OG 3.23Å; D1233-S1253 WeakPolarHBondContact OD1-CB 3.33Å; D1233-S1253 PolarHBondContact OD1-N 3.07Å; D1233-S1253 PolarHBondContact OD1-OG 2.84Å; D1233-S1253 WeakPolarHBondContact OD2-CB 3.31Å; D1233-S1253 PolarHBondContact OD2-OG 3.44Å; S1251-S1253 PolarHBondContact OG-OG 3.01Å; S1253-A1255 PolarHBondContact OG-N 2.83Å; S1253-H1272 PolarHBondContact O-CE1 2.71Å; S1253-H1272 PolarHBondContact OG-CE1 2.84Å; S1253-S1275 VanDerWaalsContact O-CA 3.31Å; S1253-S1275 WeakPolarHBondContact O-CA 3.22Å |
| 1254 | G | 85.4 | Confident | 84.5 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.201 | C | C | . | . | S | Bend | trans | 95.7 | 4.5 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | S1251 N1252 I1273 S1276 | S1251-G1254 PolarHBondContact O-N 3.15Å; N1252-G1254 VanDerWaalsContact C-N 3.27Å; N1252-G1254 PolarHBondContact O-N 2.89Å; G1254-I1273 PolarHBondContact O-N 3.12Å; G1254-S1276 WeakPolarHBondContact CA-O 3.45Å |
| 1255 | A | 88.2 | Confident | 84.4 | Confident | 15 Ų | 15 | 36.7 Ų | 36.7 | 12% | 0.124 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 148.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | G1250 S1251 S1253 E1269 H1272 | G1250-A1255 VanDerWaalsContact CA-O 3.31Å; G1250-A1255 WeakPolarHBondContact CA-O 3.46Å; S1251-A1255 PolarHBondContact N-O 3.16Å; S1251-A1255 VanDerWaalsContact N-O 3.15Å; S1251-A1255 WeakPolarHBondContact OG-CB 3.31Å; S1251-A1255 PolarHBondContact OG-N 3.4Å; S1253-A1255 PolarHBondContact OG-N 2.83Å; A1255-E1269 HydrophobicContact CB-CG 4.48Å; A1255-H1272 PolarHBondContact N-ND1 3.04Å |
| 1256 | I | 89.9 | Confident | 84.4 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 113.9 | 173.5 | -64.5 | 172.4 | 0 | 0 | 0 | 109.1 | L1249 L1270 F1271 I1273 L1281 L1290 V1292 | L1249-I1256 CarbonylContact O-C 3.34Å; L1249-I1256 WeakPolarHBondContact O-CA 3.44Å; I1256-L1270 PolarHBondContact O-N 3.43Å; I1256-F1271 HydrophobicContact CB-CE1 4.29Å; I1256-F1271 HydrophobicContact CB-CZ 4.49Å; I1256-F1271 WeakPolarHBondContact CB-O 3.46Å; I1256-F1271 HydrophobicContact CD1-CE1 4.28Å; I1256-F1271 HydrophobicContact CD1-CE2 3.8Å; I1256-F1271 HydrophobicContact CD1-CZ 3.64Å; I1256-F1271 HydrophobicContact CG2-CE1 4.13Å; I1256-F1271 HydrophobicContact CG2-CZ 4.49Å; I1256-F1271 PolarHBondContact N-O 2.88Å; I1256-F1271 PolarHBondContact O-N 2.84Å; I1256-I1273 HydrophobicContact CD1-CD1 4.2Å; I1256-L1281 HydrophobicContact CD1-CD2 3.96Å; I1256-L1281 HydrophobicContact CG1-CD2 4.33Å; I1256-L1290 HydrophobicContact CG2-CD2 4.05Å; I1256-V1292 HydrophobicContact CD1-CB 4.28Å; I1256-V1292 HydrophobicContact CD1-CG1 3.8Å; I1256-V1292 HydrophobicContact CD1-CG2 3.47Å; I1256-V1292 VanDerWaalsContact CD1-CG2 3.47Å |
| 1257 | A | 89.2 | Confident | 84.1 | Confident | 6 Ų | 6 | 41.5 Ų | 41.5 | 5% | 0.05 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 160.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | F1248 L1249 P1267 I1268 | F1248-A1257 CarbonylContact C-O 3.3Å; F1248-A1257 WeakPolarHBondContact CA-O 3.46Å; L1249-A1257 HydrophobicContact CB-CB 4.44Å; L1249-A1257 PolarHBondContact N-O 2.7Å; L1249-A1257 PolarHBondContact O-N 2.63Å; A1257-P1267 HydrophobicContact CB-CB 3.83Å; A1257-I1268 CarbonylContact C-O 3.57Å; A1257-I1268 WeakPolarHBondContact CA-O 2.88Å |
| 1258 | W | 89 | Confident | 83.8 | Confident | 4 Ų | 4 | 43.9 Ų | 43.9 | 2% | 0.015 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 130.3 | 174.1 | 171.4 | -93.3 | 0 | 0 | 0 | 110.7 | D1245 G1246 F1248 I1268 L1270 P1319 W1320 | D1245-W1258 HydrophobicContact CB-CZ2 4.39Å; G1246-W1258 VanDerWaalsContact C-CH2 3.43Å; G1246-W1258 VanDerWaalsContact CA-CH2 3.43Å; F1248-W1258 AromaticContact CD1-CE3 3.79Å; F1248-W1258 HydrophobicContact CD1-CE3 3.79Å; F1248-W1258 HydrophobicContact CD1-CZ3 4.37Å; F1248-W1258 HydrophobicContact CD2-CE3 4.08Å; F1248-W1258 AromaticContact CD2-CZ3 3.86Å; F1248-W1258 HydrophobicContact CD2-CZ3 3.86Å; F1248-W1258 AromaticContact CE1-CE3 3.67Å; F1248-W1258 HydrophobicContact CE1-CE3 3.67Å; F1248-W1258 HydrophobicContact CE1-CZ3 4.11Å; F1248-W1258 AromaticContact CE2-CE3 3.95Å; F1248-W1258 HydrophobicContact CE2-CE3 3.95Å; F1248-W1258 AromaticContact CE2-CZ3 3.55Å; F1248-W1258 HydrophobicContact CE2-CZ3 3.55Å; F1248-W1258 AromaticContact CG-CE3 3.99Å; F1248-W1258 HydrophobicContact CG-CE3 3.99Å; F1248-W1258 HydrophobicContact CG-CZ3 4.26Å; F1248-W1258 AromaticContact CZ-CE3 3.74Å; F1248-W1258 HydrophobicContact CZ-CE3 3.74Å; F1248-W1258 AromaticContact CZ-CZ3 3.68Å; F1248-W1258 HydrophobicContact CZ-CZ3 3.68Å; W1258-I1268 PolarHBondContact N-O 3.13Å; W1258-I1268 PolarHBondContact O-N 3.05Å; W1258-L1270 HydrophobicContact CB-CD1 3.92Å; W1258-L1270 HydrophobicContact CB-CD2 3.88Å; W1258-L1270 HydrophobicContact CB-CG 3.83Å; W1258-P1319 HydrophobicContact CZ2-CG 3.84Å; W1258-P1319 VanDerWaalsContact NE1-CD 3.26Å; W1258-W1320 AromaticContact CD2-CD1 3.86Å; W1258-W1320 AromaticContact CE3-CD1 3.79Å; W1258-W1320 AromaticContact CE3-NE1 3.82Å; W1258-W1320 AromaticContact CH2-NE1 3.65Å; W1258-W1320 AromaticContact CZ2-NE1 3.98Å; W1258-W1320 AromaticContact CZ3-NE1 3.58Å |
| 1259 | V | 87.5 | Confident | 83.4 | Confident | 3 Ų | 3 | 49.5 Ų | 49.5 | 2% | 0.018 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 128.2 | 176.5 | 174.9 | 0 | 0 | 0 | 0 | 109.8 | I1227 G1246 L1247 L1249 V1261 P1267 | I1227-V1259 HydrophobicContact CD1-CB 4.26Å; I1227-V1259 HydrophobicContact CD1-CG1 3.78Å; I1227-V1259 HydrophobicContact CD1-CG2 4.16Å; I1227-V1259 HydrophobicContact CG1-CG1 4.34Å; I1227-V1259 HydrophobicContact CG2-CG2 4.31Å; G1246-V1259 VanDerWaalsContact CA-O 3.29Å; G1246-V1259 WeakPolarHBondContact CA-O 3.46Å; L1247-V1259 PolarHBondContact N-O 2.98Å; L1247-V1259 PolarHBondContact O-N 2.84Å; L1249-V1259 HydrophobicContact CD1-CG2 3.79Å; V1259-V1261 PolarHBondContact O-N 3.19Å; V1259-P1267 HydrophobicContact CG2-CB 3.89Å |
| 1260 | N | 85.9 | Confident | 83 | Confident | 41 Ų | 41 | 50.3 Ų | 50.3 | 22% | 0.219 | 27% | 0.269 | C | S | . | . | trans | -76.9 | 114.5 | 163.7 | -174.6 | -8.6 | 0 | 0 | 0 | 109.2 | D1245 E1262 E1263 G1265 | D1245-N1260 PolarHBondContact O-OD1 3.13Å; N1260-E1262 PolarHBondContact OD1-N 3.07Å; N1260-E1263 HydrophobicContact CB-CB 4.4Å; N1260-E1263 VanDerWaalsContact ND2-CG 3.29Å; N1260-E1263 WeakPolarHBondContact ND2-CG 3.26Å; N1260-E1263 PolarHBondContact ND2-OE2 3.47Å; N1260-G1265 PolarHBondContact O-N 2.89Å | ||
| 1261 | V | 80.3 | Confident | 82.7 | Confident | 36 Ų | 36 | 50.8 Ų | 50.8 | 22% | 0.218 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -16.8 | -176.1 | 176.9 | 0 | 0 | 0 | 0 | 112.6 | F1240 L1247 V1259 I1560 | F1240-V1261 HydrophobicContact CE1-CG2 4.4Å; L1247-V1261 HydrophobicContact CB-CG2 3.68Å; V1259-V1261 PolarHBondContact O-N 3.19Å; V1261-I1560 HydrophobicContact CB-CD1 4.43Å; V1261-I1560 HydrophobicContact CG1-CD1 3.82Å; V1261-I1560 HydrophobicContact CG1-CG2 4.33Å; V1261-I1560 HydrophobicContact CG2-CD1 3.78Å |
| 1262 | E | 76.7 | Confident | 82.4 | Confident | 179 Ų | 179 | 55.4 Ų | 55.4 | 84% | 0.836 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | -21.3 | 176.2 | -64.8 | -153 | 138.5 | 0 | 0 | 113.8 | N1260 | N1260-E1262 PolarHBondContact OD1-N 3.07Š|
| 1263 | E | 72.8 | Confident | 81.7 | Confident | 148 Ų | 148 | 53 Ų | 53 | 69% | 0.692 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.9 | 6.4 | -174.1 | -69.7 | -175.6 | 140.9 | 0 | 0 | 114.1 | N1260 G1265 | N1260-E1263 HydrophobicContact CB-CB 4.4Å; N1260-E1263 VanDerWaalsContact ND2-CG 3.29Å; N1260-E1263 WeakPolarHBondContact ND2-CG 3.26Å; N1260-E1263 PolarHBondContact ND2-OE2 3.47Å; E1263-G1265 PolarHBondContact O-N 3.12Å |
| 1264 | D | 69 | Low | 80.9 | Confident | 127 Ų | 127 | 55.1 Ų | 55.1 | 68% | 0.679 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.6 | 42.6 | -170.2 | -70.1 | -41.8 | 0 | 0 | 0 | 112.1 | ||
| 1265 | G | 67.9 | Low | 80.1 | Confident | 28 Ų | 28 | 59.4 Ų | 59.4 | 29% | 0.289 | 32% | 0.315 | S | S | . | . | P | Polyproline II helix | trans | -72.6 | 147.8 | -174 | 0 | 0 | 0 | 0 | 0 | 113.5 | N1260 E1263 | N1260-G1265 PolarHBondContact O-N 2.89Å; E1263-G1265 PolarHBondContact O-N 3.12Å |
| 1266 | L | 76.5 | Confident | 79.8 | Confident | 152 Ų | 152 | 59.1 Ų | 59.1 | 80% | 0.796 | 31% | 0.312 | S | S | * | . | P | Polyproline II helix | trans | -62 | 149.7 | 166.2 | -69.2 | 171.8 | 0 | 0 | 0 | 110.7 | I1268 | L1266-I1268 PolarHBondContact O-N 3.09Š|
| 1267 | P | 80.4 | Confident | 79.6 | Confident | 33 Ų | 33 | 60.1 Ų | 60.1 | 21% | 0.214 | 32% | 0.319 | C | S | . | . | P | Polyproline II helix | trans | -58.2 | 132.4 | 170.6 | 24.1 | -32.3 | 0 | 0 | 0 | 111.1 | E1229 A1257 V1259 | E1229-P1267 WeakPolarHBondContact OE1-CG 3.24Å; A1257-P1267 HydrophobicContact CB-CB 3.83Å; V1259-P1267 HydrophobicContact CG2-CB 3.89Å |
| 1268 | I | 83.4 | Confident | 79.6 | Confident | 50 Ų | 50 | 59.8 Ų | 59.8 | 26% | 0.256 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 108.6 | 174.4 | -55.3 | 176.1 | 0 | 0 | 0 | 107 | A1257 W1258 L1266 L1270 N1317 | A1257-I1268 CarbonylContact C-O 3.57Å; A1257-I1268 WeakPolarHBondContact CA-O 2.88Å; W1258-I1268 PolarHBondContact N-O 3.13Å; W1258-I1268 PolarHBondContact O-N 3.05Å; L1266-I1268 PolarHBondContact O-N 3.09Å; I1268-L1270 PolarHBondContact O-N 3.12Å; I1268-N1317 HydrophobicContact CD1-CB 3.75Å |
| 1269 | E | 83.8 | Confident | 79.4 | Confident | 119 Ų | 119 | 61.4 Ų | 61.4 | 56% | 0.556 | 32% | 0.322 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -55.8 | 126 | 172.5 | -161 | -151.8 | 144.4 | 0 | 0 | 109.9 | A1255 H1272 | A1255-E1269 HydrophobicContact CB-CG 4.48Å; E1269-H1272 PolarHBondContact OE1-N 3.42Å |
| 1270 | L | 83.3 | Confident | 79.5 | Confident | 17 Ų | 17 | 63.5 Ų | 63.5 | 9% | 0.089 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | -44.3 | 174.9 | -62.7 | -177.2 | 0 | 0 | 0 | 111.1 | F1248 I1256 W1258 I1268 W1320 T1322 | F1248-L1270 HydrophobicContact CD1-CD1 3.91Å; F1248-L1270 HydrophobicContact CE1-CD1 3.65Å; I1256-L1270 PolarHBondContact O-N 3.43Å; W1258-L1270 HydrophobicContact CB-CD1 3.92Å; W1258-L1270 HydrophobicContact CB-CD2 3.88Å; W1258-L1270 HydrophobicContact CB-CG 3.83Å; I1268-L1270 PolarHBondContact O-N 3.12Å; L1270-W1320 HydrophobicContact CD1-CB 4.37Å; L1270-W1320 HydrophobicContact CD2-CB 4.38Å; L1270-T1322 HydrophobicContact CB-CG2 4.22Å; L1270-T1322 PolarHBondContact O-OG1 3.49Å |
| 1271 | F | 84.7 | Confident | 79.8 | Confident | 10 Ų | 10 | 61.7 Ų | 61.7 | 4% | 0.044 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -170.1 | 148.2 | 177.6 | 61.1 | -70.7 | 0 | 0 | 0 | 110.8 | I1256 I1273 L1290 V1292 A1304 T1322 F1327 | I1256-F1271 HydrophobicContact CB-CE1 4.29Å; I1256-F1271 HydrophobicContact CB-CZ 4.49Å; I1256-F1271 WeakPolarHBondContact CB-O 3.46Å; I1256-F1271 HydrophobicContact CD1-CE1 4.28Å; I1256-F1271 HydrophobicContact CD1-CE2 3.8Å; I1256-F1271 HydrophobicContact CD1-CZ 3.64Å; I1256-F1271 HydrophobicContact CG2-CE1 4.13Å; I1256-F1271 HydrophobicContact CG2-CZ 4.49Å; I1256-F1271 PolarHBondContact N-O 2.88Å; I1256-F1271 PolarHBondContact O-N 2.84Å; F1271-I1273 HydrophobicContact CD2-CD1 4.49Å; F1271-I1273 HydrophobicContact CD2-CG1 4.11Å; F1271-I1273 HydrophobicContact CE2-CD1 3.77Å; F1271-I1273 HydrophobicContact CE2-CG1 3.89Å; F1271-L1290 HydrophobicContact CE1-CD2 4.33Å; F1271-L1290 HydrophobicContact CZ-CD2 4.29Å; F1271-V1292 HydrophobicContact CZ-CG2 4.5Å; F1271-A1304 HydrophobicContact CE1-CB 4.48Å; F1271-A1304 HydrophobicContact CE2-CB 4.01Å; F1271-A1304 HydrophobicContact CZ-CB 3.64Å; F1271-T1322 HydrophobicContact CD1-CG2 3.63Å; F1271-T1322 HydrophobicContact CE1-CG2 3.89Å; F1271-F1327 HydrophobicContact CD2-CE1 4.22Å; F1271-F1327 HydrophobicContact CD2-CZ 4.5Å; F1271-F1327 HydrophobicContact CE2-CE1 4Å; F1271-F1327 HydrophobicContact CE2-CZ 4.5Å |
| 1272 | H | 83.4 | Confident | 80.3 | Confident | 98 Ų | 98 | 61 Ų | 61 | 45% | 0.454 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 128.9 | 168.3 | -164.8 | 78.2 | 0 | 0 | 0 | 110 | S1253 A1255 E1269 | S1253-H1272 PolarHBondContact O-CE1 2.71Å; S1253-H1272 PolarHBondContact OG-CE1 2.84Å; A1255-H1272 PolarHBondContact N-ND1 3.04Å; E1269-H1272 PolarHBondContact OE1-N 3.42Å |
| 1273 | I | 71.9 | Confident | 81 | Confident | 9 Ų | 9 | 52.5 Ų | 52.5 | 5% | 0.046 | 28% | 0.278 | C | S | . | . | P | Polyproline II helix | trans | -86.8 | 173 | 158.3 | -85.2 | 172.4 | 0 | 0 | 0 | 107.8 | G1254 I1256 F1271 V1292 V1302 F1327 | G1254-I1273 PolarHBondContact O-N 3.12Å; I1256-I1273 HydrophobicContact CD1-CD1 4.2Å; F1271-I1273 HydrophobicContact CD2-CD1 4.49Å; F1271-I1273 HydrophobicContact CD2-CG1 4.11Å; F1271-I1273 HydrophobicContact CE2-CD1 3.77Å; F1271-I1273 HydrophobicContact CE2-CG1 3.89Å; I1273-V1292 HydrophobicContact CD1-CB 3.85Å; I1273-V1292 HydrophobicContact CD1-CG1 3.84Å; I1273-V1292 HydrophobicContact CD1-CG2 3.85Å; I1273-V1302 HydrophobicContact CD1-CB 4.01Å; I1273-V1302 HydrophobicContact CD1-CG1 4.16Å; I1273-V1302 HydrophobicContact CD1-CG2 4.24Å; I1273-F1327 HydrophobicContact CD1-CZ 4.33Å; I1273-F1327 HydrophobicContact CG1-CZ 3.93Å |
| 1274 | Q | 69.1 | Low | 81.8 | Confident | 83 Ų | 83 | 45.4 Ų | 45.4 | 39% | 0.388 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -50.6 | 154.9 | -179.8 | -66.8 | 167.4 | -36.1 | 0 | 0 | 112.8 | S1276 N1297 E1298 | Q1274-S1276 VanDerWaalsContact C-N 3.28Å; Q1274-S1276 PolarHBondContact O-N 2.95Å; Q1274-N1297 HydrophobicContact CB-CB 4.49Å; Q1274-E1298 PolarHBondContact NE2-O 3.33Å; Q1274-E1298 PolarHBondContact OE1-O 3.17Å |
| 1275 | S | 69.3 | Low | 82.6 | Confident | 90 Ų | 90 | 44.7 Ų | 44.7 | 63% | 0.629 | 23% | 0.233 | S | C | * | . | S | Bend | trans | -63.3 | 77.2 | -176.8 | 59.4 | 0 | 0 | 0 | 0 | 113.7 | S1253 N1297 | S1253-S1275 VanDerWaalsContact O-CA 3.31Å; S1253-S1275 WeakPolarHBondContact O-CA 3.22Å; S1275-N1297 PolarHBondContact O-ND2 3.25Å |
| 1276 | S | 82.4 | Confident | 83.2 | Confident | 8 Ų | 8 | 46.1 Ų | 46.1 | 6% | 0.056 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -162.5 | 150.3 | 173.3 | 53.4 | 0 | 0 | 0 | 0 | 111.6 | N1252 G1254 Q1274 I1278 W1296 | N1252-S1276 CarbonylContact O-C 3.51Å; G1254-S1276 WeakPolarHBondContact CA-O 3.45Å; Q1274-S1276 VanDerWaalsContact C-N 3.28Å; Q1274-S1276 PolarHBondContact O-N 2.95Å; S1276-I1278 PolarHBondContact O-N 3.38Å; S1276-W1296 WeakPolarHBondContact CB-O 3.44Å; S1276-W1296 PolarHBondContact OG-O 3.16Å |
| 1277 | S | 86.1 | Confident | 83.5 | Confident | 21 Ų | 21 | 39.4 Ų | 39.4 | 15% | 0.147 | 20% | 0.202 | C | C | . | . | trans | -58.7 | 131.2 | -172.7 | 177.7 | 0 | 0 | 0 | 0 | 114 | N1252 R1279 S1294 E1295 | N1252-S1277 WeakPolarHBondContact O-CA 3.45Å; N1252-S1277 PolarHBondContact O-N 3.4Å; S1277-R1279 PolarHBondContact O-N 2.93Å; S1277-S1294 CarbonylContact O-C 3.5Å; S1277-S1294 WeakPolarHBondContact O-CA 3.3Å; S1277-S1294 WeakPolarHBondContact O-CB 3.37Å; S1277-E1295 VanDerWaalsContact CB-OE2 3.31Å; S1277-E1295 WeakPolarHBondContact CB-OE2 3.19Å; S1277-E1295 PolarHBondContact O-N 2.89Å | ||
| 1278 | I | 88.3 | Confident | 83.8 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 105.2 | 174.3 | -53.2 | -50.3 | 0 | 0 | 0 | 110 | T1236 A1237 S1251 S1276 L1281 V1292 C1293 | T1236-I1278 PolarHBondContact OG1-O 2.98Å; T1236-I1278 VanDerWaalsContact OG1-O 3.06Å; A1237-I1278 HydrophobicContact CB-CB 4.23Å; A1237-I1278 HydrophobicContact CB-CG2 3.75Å; A1237-I1278 VanDerWaalsContact CB-O 3.32Å; A1237-I1278 WeakPolarHBondContact CB-O 3.42Å; S1251-I1278 PolarHBondContact O-N 3.17Å; S1251-I1278 VanDerWaalsContact O-N 3.12Å; S1276-I1278 PolarHBondContact O-N 3.38Å; I1278-L1281 HydrophobicContact CG2-CD2 3.95Å; I1278-L1281 HydrophobicContact CG2-CG 3.95Å; I1278-V1292 HydrophobicContact CD1-CG1 3.77Å; I1278-V1292 HydrophobicContact CG1-CG1 4.49Å; I1278-V1292 HydrophobicContact CG2-CG1 3.88Å; I1278-C1293 CarbonylContact C-O 3.56Å |
| 1279 | R | 84.9 | Confident | 84 | Confident | 38 Ų | 38 | 42.3 Ų | 42.3 | 14% | 0.143 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | -14.2 | 179.5 | -160.2 | 166 | -179.8 | 168.8 | -0.4 | 113.7 | S1277 C1293 G1488 D1490 E1493 | S1277-R1279 PolarHBondContact O-N 2.93Å; R1279-C1293 PolarHBondContact N-O 3.05Å; R1279-G1488 VanDerWaalsContact CZ-O 3.3Å; R1279-G1488 PolarHBondContact NE-O 3.11Å; R1279-G1488 PolarHBondContact NH2-O 3.03Å; R1279-D1490 IonicContact CZ-OD1 3.19Å; R1279-D1490 IonicContact CZ-OD2 3.33Å; R1279-D1490 IonicContact NE-OD1 2.73Å; R1279-D1490 IonicContact NH1-OD1 3.1Å; R1279-D1490 PolarHBondContact NH1-OD1 3.25Å; R1279-D1490 IonicContact NH1-OD2 2.67Å; R1279-D1490 PolarHBondContact NH1-OD2 3.25Å; R1279-D1490 IonicContact NH2-OD1 2.78Å; R1279-D1490 PolarHBondContact NH2-OD1 3.17Å; R1279-D1490 IonicContact NH2-OD2 2.71Å; R1279-E1493 IonicContact CZ-OE2 2.84Å; R1279-E1493 IonicContact NH2-OE1 3.77Å; R1279-E1493 IonicContact NH2-OE2 3.38Å; R1279-E1493 PolarHBondContact NH2-OE2 3.16Å |
| 1280 | R | 89.5 | Confident | 84.4 | Confident | 46 Ų | 46 | 36.7 Ų | 36.7 | 17% | 0.174 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161 | 142.8 | 172.5 | -155.7 | -176.6 | -165.9 | 178.9 | 9.8 | 114.5 | V1292 C1293 H1336 A1337 E1338 | R1280-V1292 WeakPolarHBondContact O-CA 3.44Å; R1280-C1293 HydrophobicContact CB-CB 4.06Å; R1280-C1293 PolarHBondContact N-O 2.91Å; R1280-C1293 VanDerWaalsContact N-O 3.14Å; R1280-C1293 PolarHBondContact O-N 3.48Å; R1280-H1336 PolarHBondContact NE-NE2 2.75Å; R1280-H1336 PolarHBondContact NH1-NE2 3.35Å; R1280-H1336 PolarHBondContact NH2-NE2 3.47Å; R1280-A1337 PolarHBondContact NH1-O 3.19Å; R1280-E1338 IonicContact CZ-OE1 2.67Å; R1280-E1338 IonicContact NH1-OE1 3.5Å; R1280-E1338 PolarHBondContact NH1-OE1 3.37Å; R1280-E1338 VanDerWaalsContact NH1-OE1 3.11Å; R1280-E1338 IonicContact NH2-OE1 3.5Å; R1280-E1338 PolarHBondContact NH2-OE1 3.01Å |
| 1281 | L | 92.1 | Very high | 84.8 | Confident | 4 Ų | 4 | 36 Ų | 36 | 2% | 0.021 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 143.6 | 164.2 | -67.3 | 173.8 | 0 | 0 | 0 | 112 | A1237 C1239 F1248 L1249 I1256 I1278 L1290 L1291 V1292 | A1237-L1281 HydrophobicContact CB-CD1 4.18Å; A1237-L1281 HydrophobicContact CB-CG 4.04Å; C1239-L1281 HydrophobicContact CB-CB 3.74Å; F1248-L1281 HydrophobicContact CB-CD1 4.1Å; L1249-L1281 VanDerWaalsContact C-CD1 3.49Å; I1256-L1281 HydrophobicContact CD1-CD2 3.96Å; I1256-L1281 HydrophobicContact CG1-CD2 4.33Å; I1278-L1281 HydrophobicContact CG2-CD2 3.95Å; I1278-L1281 HydrophobicContact CG2-CG 3.95Å; L1281-L1290 HydrophobicContact CD2-CD2 4.38Å; L1281-L1291 WeakPolarHBondContact CA-O 3.43Å; L1281-V1292 HydrophobicContact CD2-CB 4.27Å; L1281-V1292 HydrophobicContact CD2-CG1 4.01Å; L1281-V1292 HydrophobicContact CD2-CG2 3.87Å |
| 1282 | A | 91.6 | Very high | 85.1 | Confident | 20 Ų | 20 | 35.5 Ų | 35.5 | 17% | 0.165 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 118 | 171 | 0 | 0 | 0 | 0 | 0 | 113.9 | L1291 | A1282-L1291 HydrophobicContact CB-CB 4.26Å; A1282-L1291 HydrophobicContact CB-CD2 4.39Å; A1282-L1291 PolarHBondContact N-O 3.09Å; A1282-L1291 PolarHBondContact O-N 3.23Å |
| 1283 | H | 90.9 | Very high | 85.4 | Confident | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 132.9 | 176.1 | -167.3 | -170.7 | 0 | 0 | 0 | 112.1 | S1241 R1242 F1248 G1287 R1289 L1290 W1320 | S1241-H1283 PolarHBondContact OG-CE1 2.99Å; S1241-H1283 PolarHBondContact OG-ND1 3.43Å; R1242-H1283 HydrophobicContact CG-CB 4.27Å; R1242-H1283 PolarHBondContact N-ND1 3.01Å; R1242-H1283 PolarHBondContact NE-O 3.26Å; F1248-H1283 HydrophobicContact CD2-CB 4.47Å; F1248-H1283 HydrophobicContact CE2-CB 4.08Å; F1248-H1283 AromaticContact CE2-CG 3.84Å; F1248-H1283 AromaticContact CE2-ND1 3.49Å; F1248-H1283 WeakPolarHBondContact CE2-ND1 3.31Å; H1283-G1287 VanDerWaalsContact NE2-CA 3.34Å; H1283-G1287 WeakPolarHBondContact NE2-CA 3.5Å; H1283-G1287 PolarHBondContact NE2-O 3.07Å; H1283-R1289 PolarHBondContact CD2-O 3.23Å; H1283-L1290 HydrophobicContact CB-CD1 4.23Å; H1283-W1320 AromaticContact CE1-CZ2 3.72Å |
| 1284 | T | 89.8 | Confident | 86.1 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.155 | C | C | . | . | trans | -72.1 | 153.7 | 177.2 | 51.5 | 0 | 0 | 0 | 0 | 113.9 | R1242 D1286 G1287 R1289 F1339 | R1242-T1284 WeakPolarHBondContact CG-O 3.08Å; T1284-D1286 WeakPolarHBondContact CB-OD1 3.5Å; T1284-D1286 PolarHBondContact O-N 3.45Å; T1284-D1286 PolarHBondContact OG1-OD1 3.07Å; T1284-G1287 PolarHBondContact O-N 3.43Å; T1284-G1287 VanDerWaalsContact O-N 3.13Å; T1284-R1289 HydrophobicContact CG2-CB 3.71Å; T1284-R1289 PolarHBondContact N-O 3Å; T1284-R1289 WeakPolarHBondContact OG1-CB 3.42Å; T1284-R1289 PolarHBondContact OG1-N 2.97Å; T1284-R1289 VanDerWaalsContact OG1-N 3.13Å; T1284-R1289 PolarHBondContact OG1-O 3.26Å; T1284-F1339 HydrophobicContact CG2-CD1 4.24Å; T1284-F1339 HydrophobicContact CG2-CD2 3.76Å; T1284-F1339 HydrophobicContact CG2-CE1 3.83Å; T1284-F1339 HydrophobicContact CG2-CE2 3.28Å; T1284-F1339 HydrophobicContact CG2-CG 4.21Å; T1284-F1339 HydrophobicContact CG2-CZ 3.32Å | ||
| 1285 | R | 84.7 | Confident | 86.5 | Confident | 112 Ų | 112 | 28.3 Ų | 28.3 | 42% | 0.423 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -13.3 | 180 | -69.1 | -179.5 | -171.1 | 159.3 | 5.8 | 116 | N1341 | R1285-N1341 PolarHBondContact NH1-O 2.9Å; R1285-N1341 PolarHBondContact NH2-O 3.41Å |
| 1286 | D | 82 | Confident | 86.6 | Confident | 58 Ų | 58 | 30.8 Ų | 30.8 | 31% | 0.31 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | -13 | 174.5 | 56.7 | 7.7 | 0 | 0 | 0 | 113.2 | T1284 E1288 R1289 | T1284-D1286 WeakPolarHBondContact CB-OD1 3.5Å; T1284-D1286 PolarHBondContact O-N 3.45Å; T1284-D1286 PolarHBondContact OG1-OD1 3.07Å; D1286-E1288 VanDerWaalsContact C-N 3.31Å; D1286-E1288 PolarHBondContact OD1-N 3.15Å; D1286-E1288 VanDerWaalsContact OD1-N 3.1Å; D1286-R1289 IonicContact OD2-CZ 3.81Å; D1286-R1289 IonicContact OD2-NE 2.77Å; D1286-R1289 PolarHBondContact OD2-NE 3.22Å; D1286-R1289 IonicContact OD2-NH2 3.98Å; D1286-R1289 PolarHBondContact OD2-NH2 3.1Å |
| 1287 | G | 82.8 | Confident | 85.9 | Confident | 11 Ų | 11 | 34.4 Ų | 34.4 | 11% | 0.113 | 16% | 0.159 | C | C | . | . | S | Bend | trans | 80.4 | 4.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | H1283 T1284 W1320 | H1283-G1287 VanDerWaalsContact NE2-CA 3.34Å; H1283-G1287 WeakPolarHBondContact NE2-CA 3.5Å; H1283-G1287 PolarHBondContact NE2-O 3.07Å; T1284-G1287 PolarHBondContact O-N 3.43Å; T1284-G1287 VanDerWaalsContact O-N 3.13Å; G1287-W1320 WeakPolarHBondContact O-CH2 3.27Å; G1287-W1320 VanDerWaalsContact O-CZ3 3.25Å; G1287-W1320 WeakPolarHBondContact O-CZ3 3.47Å |
| 1288 | E | 85.3 | Confident | 85 | Confident | 116 Ų | 116 | 39 Ų | 39 | 54% | 0.542 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -103.9 | -10.6 | -171 | -62.2 | -166.9 | 173.9 | 0 | 0 | 114.2 | D1286 R1305 L1306 | D1286-E1288 VanDerWaalsContact C-N 3.31Å; D1286-E1288 PolarHBondContact OD1-N 3.15Å; D1286-E1288 VanDerWaalsContact OD1-N 3.1Å; E1288-R1305 WeakPolarHBondContact O-CA 3.12Å; E1288-L1306 PolarHBondContact O-N 3.15Å |
| 1289 | R | 89.2 | Confident | 84.3 | Confident | 28 Ų | 28 | 40 Ų | 40 | 11% | 0.106 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 133.8 | -170.4 | -70.7 | 172.4 | -78.1 | 154.5 | -6.6 | 113.6 | H1283 T1284 D1286 V1303 A1304 V1328 H1344 Q1345 | H1283-R1289 PolarHBondContact CD2-O 3.23Å; T1284-R1289 HydrophobicContact CG2-CB 3.71Å; T1284-R1289 PolarHBondContact N-O 3Å; T1284-R1289 WeakPolarHBondContact OG1-CB 3.42Å; T1284-R1289 PolarHBondContact OG1-N 2.97Å; T1284-R1289 VanDerWaalsContact OG1-N 3.13Å; T1284-R1289 PolarHBondContact OG1-O 3.26Å; D1286-R1289 IonicContact OD2-CZ 3.81Å; D1286-R1289 IonicContact OD2-NE 2.77Å; D1286-R1289 PolarHBondContact OD2-NE 3.22Å; D1286-R1289 IonicContact OD2-NH2 3.98Å; D1286-R1289 PolarHBondContact OD2-NH2 3.1Å; R1289-V1303 HydrophobicContact CB-CG1 4Å; R1289-V1303 HydrophobicContact CG-CG1 4.19Å; R1289-A1304 VanDerWaalsContact CA-O 3.27Å; R1289-A1304 WeakPolarHBondContact CA-O 3.44Å; R1289-V1328 HydrophobicContact CG-CG2 4.24Å; R1289-H1344 PolarHBondContact NH2-O 3.06Å; R1289-Q1345 PolarHBondContact NH1-O 3.24Å; R1289-Q1345 VanDerWaalsContact NH1-O 3.1Å |
| 1290 | L | 90.8 | Very high | 84.2 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 121.1 | 174.4 | -173.7 | 65 | 0 | 0 | 0 | 109.2 | F1248 I1256 F1271 L1281 H1283 V1292 V1303 A1304 L1306 | F1248-L1290 HydrophobicContact CD1-CD2 3.91Å; F1248-L1290 HydrophobicContact CD2-CD1 4.24Å; F1248-L1290 HydrophobicContact CE1-CD2 4.17Å; F1248-L1290 HydrophobicContact CE2-CD1 4.46Å; F1248-L1290 HydrophobicContact CG-CD1 4.28Å; F1248-L1290 HydrophobicContact CG-CD2 4.36Å; I1256-L1290 HydrophobicContact CG2-CD2 4.05Å; F1271-L1290 HydrophobicContact CE1-CD2 4.33Å; F1271-L1290 HydrophobicContact CZ-CD2 4.29Å; L1281-L1290 HydrophobicContact CD2-CD2 4.38Å; H1283-L1290 HydrophobicContact CB-CD1 4.23Å; L1290-V1292 HydrophobicContact CG-CG2 4.36Å; L1290-V1303 CarbonylContact O-C 3.6Å; L1290-V1303 WeakPolarHBondContact O-CA 3.36Å; L1290-A1304 PolarHBondContact N-O 3.46Å; L1290-A1304 PolarHBondContact O-N 3.45Å; L1290-L1306 HydrophobicContact CB-CD1 4.3Å; L1290-L1306 HydrophobicContact CB-CD2 4.26Å; L1290-L1306 HydrophobicContact CB-CG 4.27Å |
| 1291 | L | 92.2 | Very high | 84.1 | Confident | 2 Ų | 2 | 36.2 Ų | 36.2 | 1% | 0.01 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 134.9 | 167 | 172.9 | 68.3 | 0 | 0 | 0 | 109.1 | L1281 A1282 T1301 V1303 A1337 F1339 L1348 | L1281-L1291 WeakPolarHBondContact CA-O 3.43Å; A1282-L1291 HydrophobicContact CB-CB 4.26Å; A1282-L1291 HydrophobicContact CB-CD2 4.39Å; A1282-L1291 PolarHBondContact N-O 3.09Å; A1282-L1291 PolarHBondContact O-N 3.23Å; L1291-T1301 HydrophobicContact CD1-CG2 3.83Å; L1291-V1303 HydrophobicContact CD1-CG2 3.99Å; L1291-A1337 HydrophobicContact CD1-CB 4.26Å; L1291-A1337 HydrophobicContact CD2-CB 4.18Å; L1291-A1337 WeakPolarHBondContact CD2-O 3.42Å; L1291-F1339 HydrophobicContact CB-CD2 4.17Å; L1291-F1339 HydrophobicContact CB-CE2 3.36Å; L1291-F1339 HydrophobicContact CB-CZ 3.61Å; L1291-F1339 HydrophobicContact CD2-CD2 4.35Å; L1291-F1339 HydrophobicContact CD2-CE2 4.32Å; L1291-F1339 HydrophobicContact CG-CE2 4.44Å; L1291-L1348 HydrophobicContact CD1-CD1 3.97Å; L1291-L1348 HydrophobicContact CD2-CD1 4.01Å |
| 1292 | V | 90.7 | Very high | 83.9 | Confident | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.006 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 133.2 | 174.8 | -169.6 | 0 | 0 | 0 | 0 | 107.8 | I1256 F1271 I1273 I1278 R1280 L1281 L1290 T1301 V1302 | I1256-V1292 HydrophobicContact CD1-CB 4.28Å; I1256-V1292 HydrophobicContact CD1-CG1 3.8Å; I1256-V1292 HydrophobicContact CD1-CG2 3.47Å; I1256-V1292 VanDerWaalsContact CD1-CG2 3.47Å; F1271-V1292 HydrophobicContact CZ-CG2 4.5Å; I1273-V1292 HydrophobicContact CD1-CB 3.85Å; I1273-V1292 HydrophobicContact CD1-CG1 3.84Å; I1273-V1292 HydrophobicContact CD1-CG2 3.85Å; I1278-V1292 HydrophobicContact CD1-CG1 3.77Å; I1278-V1292 HydrophobicContact CG1-CG1 4.49Å; I1278-V1292 HydrophobicContact CG2-CG1 3.88Å; R1280-V1292 WeakPolarHBondContact O-CA 3.44Å; L1281-V1292 HydrophobicContact CD2-CB 4.27Å; L1281-V1292 HydrophobicContact CD2-CG1 4.01Å; L1281-V1292 HydrophobicContact CD2-CG2 3.87Å; L1290-V1292 HydrophobicContact CG-CG2 4.36Å; V1292-T1301 WeakPolarHBondContact O-CA 3Å; V1292-V1302 PolarHBondContact N-O 3.08Å; V1292-V1302 PolarHBondContact O-N 2.91Å |
| 1293 | C | 90.1 | Very high | 83.8 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 126.7 | 167.4 | -58.8 | 0 | 0 | 0 | 0 | 108.4 | I1278 R1279 R1280 A1300 T1301 R1335 A1337 | I1278-C1293 CarbonylContact C-O 3.56Å; R1279-C1293 PolarHBondContact N-O 3.05Å; R1280-C1293 HydrophobicContact CB-CB 4.06Å; R1280-C1293 PolarHBondContact N-O 2.91Å; R1280-C1293 VanDerWaalsContact N-O 3.14Å; R1280-C1293 PolarHBondContact O-N 3.48Å; C1293-A1300 CarbonylContact C-O 3.59Å; C1293-A1300 WeakPolarHBondContact CA-O 3.43Å; C1293-T1301 PolarHBondContact SG-OG1 3.01Å; C1293-R1335 WeakPolarHBondContact CB-O 3.34Å; C1293-A1337 PolarHBondContact SG-N 2.63Å; C1293-A1337 VanDerWaalsContact SG-N 3.38Å |
| 1294 | S | 87 | Confident | 83.7 | Confident | 2 Ų | 2 | 35.3 Ų | 35.3 | 1% | 0.014 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 163.9 | 170.3 | 59.5 | 0 | 0 | 0 | 0 | 111.6 | S1277 W1296 A1300 | S1277-S1294 CarbonylContact O-C 3.5Å; S1277-S1294 WeakPolarHBondContact O-CA 3.3Å; S1277-S1294 WeakPolarHBondContact O-CB 3.37Å; S1294-W1296 PolarHBondContact OG-O 3.05Å; S1294-A1300 PolarHBondContact N-O 3.28Å; S1294-A1300 PolarHBondContact OG-O 2.64Å |
| 1295 | E | 78.2 | Confident | 83.6 | Confident | 37 Ų | 37 | 39.3 Ų | 39.3 | 17% | 0.173 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -81.1 | -36 | -173.3 | -163.7 | -169.3 | 140.3 | 0 | 0 | 113.3 | S1277 R1335 | S1277-E1295 VanDerWaalsContact CB-OE2 3.31Å; S1277-E1295 WeakPolarHBondContact CB-OE2 3.19Å; S1277-E1295 PolarHBondContact O-N 2.89Å; E1295-R1335 PolarHBondContact O-NE 3.45Å |
| 1296 | W | 69.6 | Low | 83.6 | Confident | 142 Ų | 142 | 34.2 Ų | 34.2 | 54% | 0.538 | 16% | 0.16 | S | C | . | . | S | Bend | trans | -137.9 | 173.6 | -174.8 | -56.8 | 102 | 0 | 0 | 0 | 111.6 | S1276 S1294 R1335 | S1276-W1296 WeakPolarHBondContact CB-O 3.44Å; S1276-W1296 PolarHBondContact OG-O 3.16Å; S1294-W1296 PolarHBondContact OG-O 3.05Å; W1296-R1335 VanDerWaalsContact CZ3-NH2 3.26Å |
| 1297 | N | 67.6 | Low | 83.3 | Confident | 84 Ų | 84 | 36.8 Ų | 36.8 | 45% | 0.449 | 17% | 0.165 | S | C | . | . | S | Bend | trans | 65.4 | 163.4 | -175.7 | -61.4 | -45.8 | 0 | 0 | 0 | 115.4 | Q1274 S1275 A1300 | Q1274-N1297 HydrophobicContact CB-CB 4.49Å; S1275-N1297 PolarHBondContact O-ND2 3.25Å; N1297-A1300 PolarHBondContact O-N 2.84Å |
| 1298 | E | 67.6 | Low | 82.8 | Confident | 118 Ų | 118 | 40.3 Ų | 40.3 | 55% | 0.551 | 19% | 0.187 | S | C | * | . | S | Bend | trans | -114.5 | 125 | 177.7 | -75 | -161 | -167.4 | 0 | 0 | 112.3 | Q1274 S1332 | Q1274-E1298 PolarHBondContact NE2-O 3.33Å; Q1274-E1298 PolarHBondContact OE1-O 3.17Å; E1298-S1332 WeakPolarHBondContact OE1-CB 3.49Å; E1298-S1332 WeakPolarHBondContact OE2-CB 3.48Å; E1298-S1332 PolarHBondContact OE2-OG 3.22Å |
| 1299 | P | 74.1 | Confident | 81.9 | Confident | 20 Ų | 20 | 36.6 Ų | 36.6 | 13% | 0.13 | 17% | 0.173 | C | C | . | . | cis | -90.4 | 119.6 | 10.6 | 33.2 | -35 | 0 | 0 | 0 | 115.3 | T1301 V1302 R1330 V1331 | P1299-T1301 PolarHBondContact O-N 2.9Å; P1299-V1302 HydrophobicContact CB-CG2 4.13Å; P1299-V1302 HydrophobicContact CG-CG2 3.62Å; P1299-R1330 HydrophobicContact CB-CB 3.97Å; P1299-R1330 HydrophobicContact CG-CB 4.13Å; P1299-R1330 HydrophobicContact CG-CG 4.29Å; P1299-V1331 CarbonylContact C-O 3.57Å | ||
| 1300 | A | 82.3 | Confident | 80.6 | Confident | 4 Ų | 4 | 40.9 Ų | 40.9 | 3% | 0.033 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -63.5 | -19.4 | 177 | 0 | 0 | 0 | 0 | 0 | 115.1 | C1293 S1294 N1297 V1331 | C1293-A1300 CarbonylContact C-O 3.59Å; C1293-A1300 WeakPolarHBondContact CA-O 3.43Å; S1294-A1300 PolarHBondContact N-O 3.28Å; S1294-A1300 PolarHBondContact OG-O 2.64Å; N1297-A1300 PolarHBondContact O-N 2.84Å; A1300-V1331 PolarHBondContact N-O 2.67Å |
| 1301 | T | 87.1 | Confident | 78.9 | Confident | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.006 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 130.2 | 171.2 | -85 | 0 | 0 | 0 | 0 | 110.8 | L1291 V1292 C1293 P1299 R1330 V1331 A1334 A1337 L1348 | L1291-T1301 HydrophobicContact CD1-CG2 3.83Å; V1292-T1301 WeakPolarHBondContact O-CA 3Å; C1293-T1301 PolarHBondContact SG-OG1 3.01Å; P1299-T1301 PolarHBondContact O-N 2.9Å; T1301-R1330 CarbonylContact O-C 3.57Å; T1301-V1331 HydrophobicContact CG2-CB 4.1Å; T1301-V1331 HydrophobicContact CG2-CG2 4.33Å; T1301-V1331 PolarHBondContact N-O 3.17Å; T1301-V1331 PolarHBondContact O-N 3.37Å; T1301-A1334 PolarHBondContact OG1-O 2.91Å; T1301-A1337 HydrophobicContact CG2-CB 3.95Å; T1301-L1348 HydrophobicContact CG2-CD2 4.15Å |
| 1302 | V | 88.8 | Confident | 76.8 | Confident | 2 Ų | 2 | 50.2 Ų | 50.2 | 1% | 0.012 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 139.2 | -175 | -179.8 | 0 | 0 | 0 | 0 | 110.5 | I1273 V1292 P1299 F1327 | I1273-V1302 HydrophobicContact CD1-CB 4.01Å; I1273-V1302 HydrophobicContact CD1-CG1 4.16Å; I1273-V1302 HydrophobicContact CD1-CG2 4.24Å; V1292-V1302 PolarHBondContact N-O 3.08Å; V1292-V1302 PolarHBondContact O-N 2.91Å; P1299-V1302 HydrophobicContact CB-CG2 4.13Å; P1299-V1302 HydrophobicContact CG-CG2 3.62Å; V1302-F1327 HydrophobicContact CG1-CB 3.8Å; V1302-F1327 HydrophobicContact CG1-CD1 3.61Å; V1302-F1327 HydrophobicContact CG1-CD2 3.57Å; V1302-F1327 HydrophobicContact CG1-CE1 4.01Å; V1302-F1327 HydrophobicContact CG1-CE2 4Å; V1302-F1327 HydrophobicContact CG1-CG 3.38Å; V1302-F1327 HydrophobicContact CG1-CZ 4.21Å |
| 1303 | V | 90.3 | Very high | 75 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 101.4 | 165.9 | -178.4 | 0 | 0 | 0 | 0 | 108.3 | R1289 L1290 L1291 F1327 V1328 F1329 F1339 L1361 | R1289-V1303 HydrophobicContact CB-CG1 4Å; R1289-V1303 HydrophobicContact CG-CG1 4.19Å; L1290-V1303 CarbonylContact O-C 3.6Å; L1290-V1303 WeakPolarHBondContact O-CA 3.36Å; L1291-V1303 HydrophobicContact CD1-CG2 3.99Å; V1303-F1327 CarbonylContact O-C 3.58Å; V1303-V1328 HydrophobicContact CB-CB 4.38Å; V1303-V1328 HydrophobicContact CG1-CB 4.12Å; V1303-V1328 WeakPolarHBondContact O-CB 3.22Å; V1303-V1328 PolarHBondContact O-N 3.12Å; V1303-F1329 HydrophobicContact CB-CB 4.09Å; V1303-F1329 HydrophobicContact CG2-CB 4.16Å; V1303-F1329 PolarHBondContact N-O 3.08Å; V1303-F1329 PolarHBondContact O-N 3.32Å; V1303-F1339 HydrophobicContact CG1-CE1 4.25Å; V1303-F1339 HydrophobicContact CG1-CZ 4.04Å; V1303-F1339 HydrophobicContact CG2-CE1 4.16Å; V1303-F1339 HydrophobicContact CG2-CZ 4.26Å; V1303-L1361 HydrophobicContact CG2-CD2 4.33Å |
| 1304 | A | 88.1 | Confident | 73.2 | Confident | 3 Ų | 3 | 58 Ų | 58 | 3% | 0.025 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 156.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | F1271 R1289 L1290 F1327 | F1271-A1304 HydrophobicContact CE1-CB 4.48Å; F1271-A1304 HydrophobicContact CE2-CB 4.01Å; F1271-A1304 HydrophobicContact CZ-CB 3.64Å; R1289-A1304 VanDerWaalsContact CA-O 3.27Å; R1289-A1304 WeakPolarHBondContact CA-O 3.44Å; L1290-A1304 PolarHBondContact N-O 3.46Å; L1290-A1304 PolarHBondContact O-N 3.45Å; A1304-F1327 HydrophobicContact CB-CD1 3.99Å; A1304-F1327 HydrophobicContact CB-CE1 4.19Å |
| 1305 | R | 87.1 | Confident | 71.4 | Confident | 85 Ų | 85 | 66.1 Ų | 66.1 | 32% | 0.321 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 121.9 | 172.4 | 176.8 | 177.6 | -78.2 | 133.2 | -0.2 | 109.2 | E1288 D1326 V1328 | E1288-R1305 WeakPolarHBondContact O-CA 3.12Å; R1305-D1326 IonicContact CZ-OD2 2.92Å; R1305-D1326 IonicContact NH1-OD1 2.94Å; R1305-D1326 PolarHBondContact NH1-OD1 3.33Å; R1305-D1326 VanDerWaalsContact NH1-OD1 3.16Å; R1305-D1326 IonicContact NH1-OD2 3.89Å; R1305-D1326 PolarHBondContact NH1-OD2 2.84Å; R1305-V1328 HydrophobicContact CB-CG2 3.76Å |
| 1306 | L | 84.2 | Confident | 70.3 | Confident | 4 Ų | 4 | 66.6 Ų | 66.6 | 2% | 0.021 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 144.7 | 169.9 | -54.1 | -176 | 0 | 0 | 0 | 109.1 | F1248 E1288 L1290 W1320 T1322 | F1248-L1306 HydrophobicContact CE1-CD1 3.94Å; F1248-L1306 HydrophobicContact CZ-CD1 3.54Å; E1288-L1306 PolarHBondContact O-N 3.15Å; L1290-L1306 HydrophobicContact CB-CD1 4.3Å; L1290-L1306 HydrophobicContact CB-CD2 4.26Å; L1290-L1306 HydrophobicContact CB-CG 4.27Å; L1306-W1320 HydrophobicContact CB-CD2 4.39Å; L1306-W1320 HydrophobicContact CB-CE3 3.85Å; L1306-W1320 HydrophobicContact CB-CZ3 4.37Å; L1306-W1320 HydrophobicContact CD1-CD2 4.08Å; L1306-W1320 HydrophobicContact CD1-CE3 4.23Å; L1306-W1320 HydrophobicContact CD1-CG 4.36Å; L1306-T1322 HydrophobicContact CD2-CG2 3.71Å |
| 1307 | R | 77.2 | Confident | 70 | Confident | 112 Ų | 112 | 66.7 Ų | 66.7 | 42% | 0.423 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 141.1 | 167.9 | -62.5 | -177.2 | -178 | 164.8 | 6.5 | 108.9 | S1309 W1320 E1321 V1323 D1326 | R1307-S1309 PolarHBondContact O-N 2.83Å; R1307-W1320 CarbonylContact O-C 3.55Å; R1307-W1320 WeakPolarHBondContact O-CA 3.41Å; R1307-E1321 WeakPolarHBondContact CB-O 3.3Å; R1307-E1321 PolarHBondContact N-O 3.06Å; R1307-E1321 PolarHBondContact O-N 3.36Å; R1307-V1323 VanDerWaalsContact CZ-CG2 3.45Å; R1307-D1326 IonicContact NH2-OD2 2.88Å |
| 1308 | P | 71.7 | Confident | 70.1 | Confident | 86 Ų | 86 | 63.2 Ų | 63.2 | 56% | 0.558 | 37% | 0.367 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 131.1 | 169 | -22.3 | 34 | 0 | 0 | 0 | 110.4 | T1310 P1319 W1320 | P1308-T1310 PolarHBondContact O-N 3.21Å; P1308-P1319 CarbonylContact C-O 3.56Å; P1308-P1319 WeakPolarHBondContact CA-O 3.38Å; P1308-W1320 HydrophobicContact CG-CZ3 4.47Å |
| 1309 | S | 67 | Low | 70.3 | Confident | 38 Ų | 38 | 60 Ų | 60 | 27% | 0.266 | 36% | 0.356 | S | S | . | . | trans | -63.3 | 117.9 | 175 | -179.2 | 0 | 0 | 0 | 0 | 109.9 | R1307 P1319 | R1307-S1309 PolarHBondContact O-N 2.83Å; S1309-P1319 PolarHBondContact N-O 2.89Å | ||
| 1310 | T | 61.9 | Low | 70.3 | Confident | 117 Ų | 117 | 59.9 Ų | 59.9 | 72% | 0.718 | 35% | 0.353 | S | S | * | . | trans | -106.6 | -5.2 | -177.8 | 49.7 | 0 | 0 | 0 | 0 | 113.6 | P1308 | P1308-T1310 PolarHBondContact O-N 3.21Š| ||
| 1311 | N | 53.8 | Low | 69.7 | Low | 85 Ų | 85 | 63.9 Ų | 63.9 | 46% | 0.455 | 37% | 0.371 | S | S | . | . | trans | -103.6 | 98.8 | -178.8 | -72.1 | -48.4 | 0 | 0 | 0 | 111.1 | S1313 | N1311-S1313 PolarHBondContact O-N 2.91Š| ||
| 1312 | A | 49.8 | Very low | 68.6 | Low | 114 Ų | 114 | 65.1 Ų | 65.1 | 94% | 0.942 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | 39.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 1313 | S | 52.5 | Low | 67.2 | Low | 105 Ų | 105 | 67.5 Ų | 67.5 | 73% | 0.734 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -148.7 | 7.3 | -173.5 | 65.5 | 0 | 0 | 0 | 0 | 114.7 | N1311 | N1311-S1313 PolarHBondContact O-N 2.91Š|
| 1314 | S | 51.5 | Low | 65.6 | Low | 60 Ų | 60 | 71.5 Ų | 71.5 | 42% | 0.42 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -104.5 | 148.1 | 163.8 | 48.4 | 0 | 0 | 0 | 0 | 109.6 | S1316 | S1314-S1316 PolarHBondContact O-N 3.23Å; S1314-S1316 PolarHBondContact OG-OG 3.23Å |
| 1315 | N | 49 | Very low | 64.4 | Low | 172 Ų | 172 | 77.7 Ų | 77.7 | 92% | 0.92 | 45% | 0.454 | S | S | * | . | S | Bend | trans | -75.3 | 19.6 | -178.1 | -68.9 | -4.5 | 0 | 0 | 0 | 113.8 | ||
| 1316 | S | 55.4 | Low | 63.6 | Low | 47 Ų | 47 | 76.1 Ų | 76.1 | 33% | 0.329 | 45% | 0.452 | S | S | . | . | trans | -89.9 | 101.2 | 179.4 | 52.2 | 0 | 0 | 0 | 0 | 109.5 | S1314 S1318 | S1314-S1316 PolarHBondContact O-N 3.23Å; S1314-S1316 PolarHBondContact OG-OG 3.23Å; S1316-S1318 PolarHBondContact O-N 2.87Å | ||
| 1317 | N | 62.7 | Low | 63.3 | Low | 144 Ų | 144 | 77.6 Ų | 77.6 | 77% | 0.77 | 46% | 0.458 | S | S | * | . | trans | -73.7 | 5.6 | 175.5 | -78.2 | 1.8 | 0 | 0 | 0 | 113.4 | I1268 | I1268-N1317 HydrophobicContact CD1-CB 3.75Š| ||
| 1318 | S | 70.1 | Confident | 63.4 | Low | 11 Ų | 11 | 72.9 Ų | 72.9 | 8% | 0.077 | 44% | 0.442 | C | S | . | . | trans | -73.6 | 137.9 | 172.1 | 55.3 | 0 | 0 | 0 | 0 | 111.2 | S1316 W1320 | S1316-S1318 PolarHBondContact O-N 2.87Å; S1318-W1320 WeakPolarHBondContact CB-O 3.37Å; S1318-W1320 PolarHBondContact O-N 2.94Å; S1318-W1320 PolarHBondContact OG-O 3.36Å | ||
| 1319 | P | 71.7 | Confident | 64 | Low | 50 Ų | 50 | 69.7 Ų | 69.7 | 33% | 0.325 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -71.8 | -11.7 | 168.5 | 30.8 | -32.8 | 0 | 0 | 0 | 111.8 | W1258 P1308 S1309 | W1258-P1319 HydrophobicContact CZ2-CG 3.84Å; W1258-P1319 VanDerWaalsContact NE1-CD 3.26Å; P1308-P1319 CarbonylContact C-O 3.56Å; P1308-P1319 WeakPolarHBondContact CA-O 3.38Å; S1309-P1319 PolarHBondContact N-O 2.89Å |
| 1320 | W | 75.1 | Confident | 64.8 | Low | 18 Ų | 18 | 74 Ų | 74 | 7% | 0.068 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 132.5 | -179.5 | -51.4 | 113.9 | 0 | 0 | 0 | 111.7 | T1243 F1248 W1258 L1270 H1283 G1287 L1306 R1307 P1308 S1318 | T1243-W1320 HydrophobicContact CG2-CH2 4.48Å; T1243-W1320 HydrophobicContact CG2-CZ2 4.43Å; F1248-W1320 AromaticContact CE1-CD1 3.94Å; F1248-W1320 AromaticContact CZ-CD1 3.79Å; F1248-W1320 HydrophobicContact CZ-CG 4.49Å; F1248-W1320 AromaticContact CZ-NE1 3.63Å; W1258-W1320 AromaticContact CD2-CD1 3.86Å; W1258-W1320 AromaticContact CE3-CD1 3.79Å; W1258-W1320 AromaticContact CE3-NE1 3.82Å; W1258-W1320 AromaticContact CH2-NE1 3.65Å; W1258-W1320 AromaticContact CZ2-NE1 3.98Å; W1258-W1320 AromaticContact CZ3-NE1 3.58Å; L1270-W1320 HydrophobicContact CD1-CB 4.37Å; L1270-W1320 HydrophobicContact CD2-CB 4.38Å; H1283-W1320 AromaticContact CE1-CZ2 3.72Å; G1287-W1320 WeakPolarHBondContact O-CH2 3.27Å; G1287-W1320 VanDerWaalsContact O-CZ3 3.25Å; G1287-W1320 WeakPolarHBondContact O-CZ3 3.47Å; L1306-W1320 HydrophobicContact CB-CD2 4.39Å; L1306-W1320 HydrophobicContact CB-CE3 3.85Å; L1306-W1320 HydrophobicContact CB-CZ3 4.37Å; L1306-W1320 HydrophobicContact CD1-CD2 4.08Å; L1306-W1320 HydrophobicContact CD1-CE3 4.23Å; L1306-W1320 HydrophobicContact CD1-CG 4.36Å; R1307-W1320 CarbonylContact O-C 3.55Å; R1307-W1320 WeakPolarHBondContact O-CA 3.41Å; P1308-W1320 HydrophobicContact CG-CZ3 4.47Å; S1318-W1320 WeakPolarHBondContact CB-O 3.37Å; S1318-W1320 PolarHBondContact O-N 2.94Å; S1318-W1320 PolarHBondContact OG-O 3.36Å |
| 1321 | E | 68.2 | Low | 65.8 | Low | 88 Ų | 88 | 68.8 Ų | 68.8 | 41% | 0.411 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 129.3 | 166.9 | -176 | -179.8 | -163.9 | 0 | 0 | 108 | R1307 | R1307-E1321 WeakPolarHBondContact CB-O 3.3Å; R1307-E1321 PolarHBondContact N-O 3.06Å; R1307-E1321 PolarHBondContact O-N 3.36Å |
| 1322 | T | 64.3 | Low | 66.8 | Low | 27 Ų | 27 | 66.8 Ų | 66.8 | 17% | 0.166 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 142.9 | -172.5 | 34.4 | 0 | 0 | 0 | 0 | 110.3 | L1270 F1271 L1306 | L1270-T1322 HydrophobicContact CB-CG2 4.22Å; L1270-T1322 PolarHBondContact O-OG1 3.49Å; F1271-T1322 HydrophobicContact CD1-CG2 3.63Å; F1271-T1322 HydrophobicContact CE1-CG2 3.89Å; L1306-T1322 HydrophobicContact CD2-CG2 3.71Å |
| 1323 | V | 60.2 | Low | 68.2 | Low | 51 Ų | 51 | 67.3 Ų | 67.3 | 31% | 0.309 | 37% | 0.373 | S | S | . | . | trans | -106 | 99.9 | 177.8 | -177.3 | 0 | 0 | 0 | 0 | 108.2 | R1307 D1325 D1326 | R1307-V1323 VanDerWaalsContact CZ-CG2 3.45Å; V1323-D1325 PolarHBondContact O-N 3.43Å; V1323-D1326 HydrophobicContact CB-CB 4.04Å; V1323-D1326 HydrophobicContact CG1-CB 3.66Å; V1323-D1326 PolarHBondContact O-N 3.25Å | ||
| 1324 | S | 57.1 | Low | 69.6 | Low | 84 Ų | 84 | 62.3 Ų | 62.3 | 59% | 0.587 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | 3.3 | -164.6 | -39.9 | 0 | 0 | 0 | 0 | 117.1 | ||
| 1325 | D | 62.2 | Low | 71 | Confident | 133 Ų | 133 | 63.1 Ų | 63.1 | 71% | 0.711 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.1 | -24.6 | 175.2 | -73 | -67.2 | 0 | 0 | 0 | 114.1 | V1323 F1327 R1330 | V1323-D1325 PolarHBondContact O-N 3.43Å; D1325-F1327 VanDerWaalsContact C-N 3.31Å; D1325-F1327 PolarHBondContact O-N 3.5Å; D1325-R1330 PolarHBondContact O-NH2 3.15Å |
| 1326 | D | 69.9 | Low | 72.9 | Confident | 53 Ų | 53 | 55.7 Ų | 55.7 | 28% | 0.283 | 29% | 0.292 | S | S | . | . | trans | -90.2 | 51.8 | -164.9 | -177.6 | 32.8 | 0 | 0 | 0 | 112.8 | R1305 R1307 V1323 V1328 | R1305-D1326 IonicContact CZ-OD2 2.92Å; R1305-D1326 IonicContact NH1-OD1 2.94Å; R1305-D1326 PolarHBondContact NH1-OD1 3.33Å; R1305-D1326 VanDerWaalsContact NH1-OD1 3.16Å; R1305-D1326 IonicContact NH1-OD2 3.89Å; R1305-D1326 PolarHBondContact NH1-OD2 2.84Å; R1307-D1326 IonicContact NH2-OD2 2.88Å; V1323-D1326 HydrophobicContact CB-CB 4.04Å; V1323-D1326 HydrophobicContact CG1-CB 3.66Å; V1323-D1326 PolarHBondContact O-N 3.25Å; D1326-V1328 PolarHBondContact O-N 2.85Å | ||
| 1327 | F | 78.1 | Confident | 74.7 | Confident | 34 Ų | 34 | 53.5 Ų | 53.5 | 15% | 0.149 | 28% | 0.276 | C | S | . | . | trans | -63.3 | 128.4 | 172.8 | -59.3 | -36.9 | 0 | 0 | 0 | 111.2 | F1271 I1273 V1302 V1303 A1304 D1325 F1329 R1330 | F1271-F1327 HydrophobicContact CD2-CE1 4.22Å; F1271-F1327 HydrophobicContact CD2-CZ 4.5Å; F1271-F1327 HydrophobicContact CE2-CE1 4Å; F1271-F1327 HydrophobicContact CE2-CZ 4.5Å; I1273-F1327 HydrophobicContact CD1-CZ 4.33Å; I1273-F1327 HydrophobicContact CG1-CZ 3.93Å; V1302-F1327 HydrophobicContact CG1-CB 3.8Å; V1302-F1327 HydrophobicContact CG1-CD1 3.61Å; V1302-F1327 HydrophobicContact CG1-CD2 3.57Å; V1302-F1327 HydrophobicContact CG1-CE1 4.01Å; V1302-F1327 HydrophobicContact CG1-CE2 4Å; V1302-F1327 HydrophobicContact CG1-CG 3.38Å; V1302-F1327 HydrophobicContact CG1-CZ 4.21Å; V1303-F1327 CarbonylContact O-C 3.58Å; A1304-F1327 HydrophobicContact CB-CD1 3.99Å; A1304-F1327 HydrophobicContact CB-CE1 4.19Å; D1325-F1327 VanDerWaalsContact C-N 3.31Å; D1325-F1327 PolarHBondContact O-N 3.5Å; F1327-F1329 VanDerWaalsContact C-N 3.34Å; F1327-F1329 PolarHBondContact O-N 3.06Å; F1327-R1330 HydrophobicContact CB-CG 4.05Å; F1327-R1330 HydrophobicContact CD2-CG 4.38Å | ||
| 1328 | V | 79.2 | Confident | 76.1 | Confident | 13 Ų | 13 | 48.3 Ų | 48.3 | 8% | 0.079 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -66 | -37.8 | -176.7 | -174.3 | 0 | 0 | 0 | 0 | 111.4 | R1289 V1303 R1305 D1326 R1364 | R1289-V1328 HydrophobicContact CG-CG2 4.24Å; V1303-V1328 HydrophobicContact CB-CB 4.38Å; V1303-V1328 HydrophobicContact CG1-CB 4.12Å; V1303-V1328 WeakPolarHBondContact O-CB 3.22Å; V1303-V1328 PolarHBondContact O-N 3.12Å; R1305-V1328 HydrophobicContact CB-CG2 3.76Å; D1326-V1328 PolarHBondContact O-N 2.85Å; V1328-R1364 PolarHBondContact O-NE 3.26Å; V1328-R1364 PolarHBondContact O-NH2 2.92Å |
| 1329 | F | 83.9 | Confident | 77.2 | Confident | 19 Ų | 19 | 48.6 Ų | 48.6 | 8% | 0.083 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 150.7 | 179.1 | -164.4 | -121.8 | 0 | 0 | 0 | 109.7 | V1303 F1327 V1331 L1348 F1359 L1361 R1364 | V1303-F1329 HydrophobicContact CB-CB 4.09Å; V1303-F1329 HydrophobicContact CG2-CB 4.16Å; V1303-F1329 PolarHBondContact N-O 3.08Å; V1303-F1329 PolarHBondContact O-N 3.32Å; F1327-F1329 VanDerWaalsContact C-N 3.34Å; F1327-F1329 PolarHBondContact O-N 3.06Å; F1329-V1331 HydrophobicContact CD1-CG2 3.67Å; F1329-V1331 HydrophobicContact CE1-CG2 3.24Å; F1329-V1331 HydrophobicContact CZ-CG2 3.98Å; F1329-L1348 HydrophobicContact CD1-CD2 4.1Å; F1329-L1348 HydrophobicContact CE1-CD2 4.22Å; F1329-F1359 HydrophobicContact CE1-CB 3.79Å; F1329-F1359 HydrophobicContact CE1-CD1 4.14Å; F1329-F1359 HydrophobicContact CE1-CD2 4.07Å; F1329-F1359 AromaticContact CE1-CG 3.75Å; F1329-F1359 HydrophobicContact CE1-CG 3.75Å; F1329-F1359 HydrophobicContact CZ-CB 3.74Å; F1329-F1359 AromaticContact CZ-CD1 3.59Å; F1329-F1359 HydrophobicContact CZ-CD1 3.59Å; F1329-F1359 HydrophobicContact CZ-CD2 4.36Å; F1329-F1359 HydrophobicContact CZ-CE1 4.25Å; F1329-F1359 AromaticContact CZ-CG 3.65Å; F1329-F1359 HydrophobicContact CZ-CG 3.65Å; F1329-L1361 HydrophobicContact CB-CD2 3.72Å; F1329-L1361 HydrophobicContact CD1-CD2 3.49Å; F1329-L1361 VanDerWaalsContact CD1-CD2 3.49Å; F1329-L1361 HydrophobicContact CD2-CD2 4.41Å; F1329-L1361 HydrophobicContact CE1-CD2 4.18Å; F1329-L1361 HydrophobicContact CG-CD2 3.63Å; F1329-R1364 HydrophobicContact CD2-CB 4.11Å; F1329-R1364 HydrophobicContact CD2-CG 4.08Å; F1329-R1364 HydrophobicContact CE2-CB 4.04Å |
| 1330 | R | 84.8 | Confident | 78.2 | Confident | 128 Ų | 128 | 46.4 Ų | 46.4 | 48% | 0.483 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 140.6 | -178.1 | -59.7 | -179.8 | -171 | -152.1 | -1.5 | 108.3 | P1299 T1301 D1325 F1327 | P1299-R1330 HydrophobicContact CB-CB 3.97Å; P1299-R1330 HydrophobicContact CG-CB 4.13Å; P1299-R1330 HydrophobicContact CG-CG 4.29Å; T1301-R1330 CarbonylContact O-C 3.57Å; D1325-R1330 PolarHBondContact O-NH2 3.15Å; F1327-R1330 HydrophobicContact CB-CG 4.05Å; F1327-R1330 HydrophobicContact CD2-CG 4.38Å |
| 1331 | V | 82.5 | Confident | 78.9 | Confident | 8 Ų | 8 | 48 Ų | 48 | 5% | 0.048 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 123.1 | -174.8 | 179.6 | 0 | 0 | 0 | 0 | 109.8 | P1299 A1300 T1301 F1329 A1334 Y1352 F1359 | P1299-V1331 CarbonylContact C-O 3.57Å; A1300-V1331 PolarHBondContact N-O 2.67Å; T1301-V1331 HydrophobicContact CG2-CB 4.1Å; T1301-V1331 HydrophobicContact CG2-CG2 4.33Å; T1301-V1331 PolarHBondContact N-O 3.17Å; T1301-V1331 PolarHBondContact O-N 3.37Å; F1329-V1331 HydrophobicContact CD1-CG2 3.67Å; F1329-V1331 HydrophobicContact CE1-CG2 3.24Å; F1329-V1331 HydrophobicContact CZ-CG2 3.98Å; V1331-A1334 HydrophobicContact CG1-CB 3.77Å; V1331-Y1352 WeakPolarHBondContact CG1-OH 3.48Å; V1331-F1359 HydrophobicContact CG1-CE2 4.41Å; V1331-F1359 HydrophobicContact CG1-CZ 4.5Å; V1331-F1359 HydrophobicContact CG2-CE2 4.42Å |
| 1332 | S | 75.6 | Confident | 79.8 | Confident | 44 Ų | 44 | 46.7 Ų | 46.7 | 31% | 0.308 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -73.7 | 157.7 | 171.5 | -54.8 | 0 | 0 | 0 | 0 | 112.4 | E1298 A1334 Y1352 | E1298-S1332 WeakPolarHBondContact OE1-CB 3.49Å; E1298-S1332 WeakPolarHBondContact OE2-CB 3.48Å; E1298-S1332 PolarHBondContact OE2-OG 3.22Å; S1332-A1334 PolarHBondContact O-N 3.3Å; S1332-Y1352 VanDerWaalsContact O-CE1 3.26Å; S1332-Y1352 WeakPolarHBondContact O-CE1 3.43Å; S1332-Y1352 PolarHBondContact O-OH 3.32Å |
| 1333 | E | 77.6 | Confident | 80.6 | Confident | 124 Ų | 124 | 48.1 Ų | 48.1 | 58% | 0.579 | 26% | 0.262 | S | S | * | . | S | Bend | trans | 60.3 | -17.2 | 173.6 | -34.1 | 162 | 134.9 | 0 | 0 | 117.7 | R1335 Y1352 K1357 | E1333-R1335 PolarHBondContact O-N 3.13Å; E1333-Y1352 HydrophobicContact CB-CD1 3.8Å; E1333-Y1352 HydrophobicContact CB-CE1 3.78Å; E1333-Y1352 HydrophobicContact CG-CE1 4.44Å; E1333-Y1352 WeakPolarHBondContact OE2-CD1 3.38Å; E1333-Y1352 VanDerWaalsContact OE2-CE1 3.23Å; E1333-Y1352 WeakPolarHBondContact OE2-CE1 3.18Å; E1333-K1357 IonicContact OE2-NZ 3.32Å; E1333-K1357 PolarHBondContact OE2-NZ 3.27Å |
| 1334 | A | 82.5 | Confident | 81.3 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.276 | C | S | . | . | trans | -84.3 | 99.9 | -172.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | T1301 V1331 S1332 H1336 A1350 Y1352 | T1301-A1334 PolarHBondContact OG1-O 2.91Å; V1331-A1334 HydrophobicContact CG1-CB 3.77Å; S1332-A1334 PolarHBondContact O-N 3.3Å; A1334-H1336 PolarHBondContact O-N 3.12Å; A1334-A1350 HydrophobicContact CB-CB 3.84Å; A1334-Y1352 HydrophobicContact CB-CE1 4.03Å; A1334-Y1352 HydrophobicContact CB-CE2 4.02Å | ||
| 1335 | R | 81.2 | Confident | 82.8 | Confident | 78 Ų | 78 | 48.4 Ų | 48.4 | 29% | 0.294 | 25% | 0.25 | S | S | . | . | S | Bend | trans | -67.9 | -14.3 | 174.3 | -69.4 | -174.2 | 173 | 176 | 0.8 | 115 | C1293 E1295 W1296 E1333 D1490 | C1293-R1335 WeakPolarHBondContact CB-O 3.34Å; E1295-R1335 PolarHBondContact O-NE 3.45Å; W1296-R1335 VanDerWaalsContact CZ3-NH2 3.26Å; E1333-R1335 PolarHBondContact O-N 3.13Å; R1335-D1490 IonicContact NH1-OD2 2.73Å; R1335-D1490 PolarHBondContact NH1-OD2 2.83Å |
| 1336 | H | 89 | Confident | 84.1 | Confident | 16 Ų | 16 | 44.8 Ų | 44.8 | 7% | 0.074 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 131.6 | -177.2 | -177.3 | 95.9 | 0 | 0 | 0 | 112.8 | R1280 A1334 A1350 T1351 K1383 | R1280-H1336 PolarHBondContact NE-NE2 2.75Å; R1280-H1336 PolarHBondContact NH1-NE2 3.35Å; R1280-H1336 PolarHBondContact NH2-NE2 3.47Å; A1334-H1336 PolarHBondContact O-N 3.12Å; H1336-A1350 CarbonylContact O-C 3.35Å; H1336-A1350 WeakPolarHBondContact O-CA 3.42Å; H1336-T1351 PolarHBondContact O-N 3.23Å; H1336-T1351 PolarHBondContact O-OG1 3.12Å; H1336-K1383 WeakPolarHBondContact NE2-CD 3.23Å |
| 1337 | A | 92.2 | Very high | 85.1 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 160.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114 | R1280 L1291 C1293 T1301 L1348 V1349 A1350 | R1280-A1337 PolarHBondContact NH1-O 3.19Å; L1291-A1337 HydrophobicContact CD1-CB 4.26Å; L1291-A1337 HydrophobicContact CD2-CB 4.18Å; L1291-A1337 WeakPolarHBondContact CD2-O 3.42Å; C1293-A1337 PolarHBondContact SG-N 2.63Å; C1293-A1337 VanDerWaalsContact SG-N 3.38Å; T1301-A1337 HydrophobicContact CG2-CB 3.95Å; A1337-L1348 HydrophobicContact CB-CD1 4.09Å; A1337-L1348 HydrophobicContact CB-CD2 4.13Å; A1337-L1348 HydrophobicContact CB-CG 4.09Å; A1337-V1349 CarbonylContact C-O 3.56Å; A1337-V1349 WeakPolarHBondContact CA-O 3.35Å; A1337-V1349 VanDerWaalsContact CB-O 3.31Å; A1337-V1349 WeakPolarHBondContact CB-O 3.28Å; A1337-A1350 HydrophobicContact CB-CB 4Å |
| 1338 | E | 92.5 | Very high | 85.8 | Confident | 36 Ų | 36 | 44.7 Ų | 44.7 | 17% | 0.168 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 137.1 | 174.1 | -74.8 | -164 | 161.9 | 0 | 0 | 112.8 | R1280 L1348 V1349 T1385 | R1280-E1338 IonicContact CZ-OE1 2.67Å; R1280-E1338 IonicContact NH1-OE1 3.5Å; R1280-E1338 PolarHBondContact NH1-OE1 3.37Å; R1280-E1338 VanDerWaalsContact NH1-OE1 3.11Å; R1280-E1338 IonicContact NH2-OE1 3.5Å; R1280-E1338 PolarHBondContact NH2-OE1 3.01Å; E1338-L1348 CarbonylContact O-C 3.56Å; E1338-L1348 WeakPolarHBondContact O-CA 3.43Å; E1338-V1349 HydrophobicContact CB-CG1 3.89Å; E1338-V1349 PolarHBondContact N-O 3.36Å; E1338-V1349 PolarHBondContact O-N 3.23Å; E1338-T1385 WeakPolarHBondContact OE2-CA 3.49Å; E1338-T1385 WeakPolarHBondContact OE2-CB 3.31Å; E1338-T1385 PolarHBondContact OE2-OG1 3.25Å |
| 1339 | F | 93.7 | Very high | 86.5 | Confident | 16 Ų | 16 | 44 Ų | 44 | 7% | 0.07 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 154.3 | 164.5 | -71.7 | -60.5 | 0 | 0 | 0 | 111.8 | T1284 L1291 V1303 Q1345 R1347 L1348 L1361 | T1284-F1339 HydrophobicContact CG2-CD1 4.24Å; T1284-F1339 HydrophobicContact CG2-CD2 3.76Å; T1284-F1339 HydrophobicContact CG2-CE1 3.83Å; T1284-F1339 HydrophobicContact CG2-CE2 3.28Å; T1284-F1339 HydrophobicContact CG2-CG 4.21Å; T1284-F1339 HydrophobicContact CG2-CZ 3.32Å; L1291-F1339 HydrophobicContact CB-CD2 4.17Å; L1291-F1339 HydrophobicContact CB-CE2 3.36Å; L1291-F1339 HydrophobicContact CB-CZ 3.61Å; L1291-F1339 HydrophobicContact CD2-CD2 4.35Å; L1291-F1339 HydrophobicContact CD2-CE2 4.32Å; L1291-F1339 HydrophobicContact CG-CE2 4.44Å; V1303-F1339 HydrophobicContact CG1-CE1 4.25Å; V1303-F1339 HydrophobicContact CG1-CZ 4.04Å; V1303-F1339 HydrophobicContact CG2-CE1 4.16Å; V1303-F1339 HydrophobicContact CG2-CZ 4.26Å; F1339-Q1345 HydrophobicContact CB-CB 4.13Å; F1339-Q1345 HydrophobicContact CD1-CB 4.43Å; F1339-Q1345 HydrophobicContact CG-CB 4.39Å; F1339-R1347 WeakPolarHBondContact CA-O 3.41Å; F1339-L1348 HydrophobicContact CD1-CD1 3.91Å; F1339-L1348 HydrophobicContact CE1-CD1 4.15Å; F1339-L1348 HydrophobicContact CG-CD1 4.42Å; F1339-L1361 HydrophobicContact CD1-CD1 3.8Å; F1339-L1361 HydrophobicContact CE1-CD1 3.62Å |
| 1340 | S | 93 | Very high | 86.9 | Confident | 4 Ų | 4 | 43.1 Ų | 43.1 | 3% | 0.028 | 22% | 0.217 | C | C | . | . | trans | -65.3 | 151.5 | 172.6 | 69.2 | 0 | 0 | 0 | 0 | 113.2 | Q1345 R1347 D1390 | S1340-Q1345 WeakPolarHBondContact O-CG 3.37Å; S1340-Q1345 PolarHBondContact O-NE2 2.91Å; S1340-R1347 PolarHBondContact N-O 3.46Å; S1340-D1390 WeakPolarHBondContact CB-OD2 3.5Å | ||
| 1341 | N | 89.1 | Confident | 87.1 | Confident | 52 Ų | 52 | 37.3 Ų | 37.3 | 28% | 0.278 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -82.8 | -10.4 | -173.8 | -75.5 | -60.2 | 0 | 0 | 0 | 114.4 | R1285 F1386 S1387 D1390 | R1285-N1341 PolarHBondContact NH1-O 2.9Å; R1285-N1341 PolarHBondContact NH2-O 3.41Å; N1341-F1386 PolarHBondContact ND2-O 2.78Å; N1341-S1387 PolarHBondContact ND2-O 3.39Å; N1341-S1387 VanDerWaalsContact ND2-O 3.11Å; N1341-D1390 WeakPolarHBondContact CB-OD1 3.47Å; N1341-D1390 PolarHBondContact N-OD1 3.24Å; N1341-D1390 PolarHBondContact N-OD2 2.6Å |
| 1342 | T | 86.5 | Confident | 87.4 | Confident | 61 Ų | 61 | 38.7 Ų | 38.7 | 37% | 0.374 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -127.5 | 172 | -177 | 76.2 | 0 | 0 | 0 | 0 | 112.3 | Q1345 D1390 | T1342-Q1345 PolarHBondContact O-N 3.01Å; T1342-D1390 WeakPolarHBondContact CA-OD2 3.48Å; T1342-D1390 VanDerWaalsContact CB-OD2 3.24Å; T1342-D1390 WeakPolarHBondContact CB-OD2 3.22Å; T1342-D1390 WeakPolarHBondContact CG2-OD2 3.37Å; T1342-D1390 PolarHBondContact N-OD2 3.26Å; T1342-D1390 PolarHBondContact OG1-OD2 3.27Å |
| 1343 | G | 81.3 | Confident | 87.7 | Confident | 57 Ų | 57 | 39.4 Ų | 39.4 | 59% | 0.588 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64.6 | -148 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q1345 | G1343-Q1345 PolarHBondContact O-N 3Š|
| 1344 | H | 76.5 | Confident | 87.9 | Confident | 132 Ų | 132 | 37.6 Ų | 37.6 | 61% | 0.611 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.1 | 25.2 | 172.8 | -66 | -90.5 | 0 | 0 | 0 | 111.2 | R1289 D1346 | R1289-H1344 PolarHBondContact NH2-O 3.06Å; H1344-D1346 WeakPolarHBondContact CB-OD1 3.31Å; H1344-D1346 PolarHBondContact N-OD2 3.13Å; H1344-D1346 PolarHBondContact O-N 3.14Å |
| 1345 | Q | 88.5 | Confident | 88.2 | Confident | 9 Ų | 9 | 40.1 Ų | 40.1 | 4% | 0.042 | 22% | 0.218 | C | C | . | . | trans | 56.6 | 51.4 | -177 | -53.2 | -159 | -91.2 | 0 | 0 | 111.5 | R1289 F1339 S1340 T1342 G1343 R1347 | R1289-Q1345 PolarHBondContact NH1-O 3.24Å; R1289-Q1345 VanDerWaalsContact NH1-O 3.1Å; F1339-Q1345 HydrophobicContact CB-CB 4.13Å; F1339-Q1345 HydrophobicContact CD1-CB 4.43Å; F1339-Q1345 HydrophobicContact CG-CB 4.39Å; S1340-Q1345 WeakPolarHBondContact O-CG 3.37Å; S1340-Q1345 PolarHBondContact O-NE2 2.91Å; T1342-Q1345 PolarHBondContact O-N 3.01Å; G1343-Q1345 PolarHBondContact O-N 3Å; Q1345-R1347 PolarHBondContact O-N 3.17Å | ||
| 1346 | D | 87.9 | Confident | 88.6 | Confident | 56 Ų | 56 | 36.4 Ų | 36.4 | 30% | 0.299 | 20% | 0.204 | S | C | . | . | trans | -81.9 | -0.8 | -170.5 | -52.2 | -68.5 | 0 | 0 | 0 | 113.3 | H1344 L1361 | H1344-D1346 WeakPolarHBondContact CB-OD1 3.31Å; H1344-D1346 PolarHBondContact N-OD2 3.13Å; H1344-D1346 PolarHBondContact O-N 3.14Å; D1346-L1361 PolarHBondContact O-N 2.96Å | ||
| 1347 | R | 91.1 | Very high | 88.7 | Confident | 85 Ų | 85 | 37.2 Ų | 37.2 | 32% | 0.321 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 154 | 179.4 | -66.5 | 177.2 | -179.8 | 175 | -1.5 | 111.8 | F1339 S1340 Q1345 F1359 F1386 | F1339-R1347 WeakPolarHBondContact CA-O 3.41Å; S1340-R1347 PolarHBondContact N-O 3.46Å; Q1345-R1347 PolarHBondContact O-N 3.17Å; R1347-F1359 VanDerWaalsContact CA-O 3.24Å; R1347-F1359 WeakPolarHBondContact CA-O 3.47Å; R1347-F1359 WeakPolarHBondContact CB-O 3.42Å; R1347-F1386 HydrophobicContact CB-CZ 4.14Å |
| 1348 | L | 93 | Very high | 88.7 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 139.4 | 175.6 | -166 | 77.9 | 0 | 0 | 0 | 108.8 | L1291 T1301 F1329 A1337 E1338 F1339 V1358 F1359 L1361 | L1291-L1348 HydrophobicContact CD1-CD1 3.97Å; L1291-L1348 HydrophobicContact CD2-CD1 4.01Å; T1301-L1348 HydrophobicContact CG2-CD2 4.15Å; F1329-L1348 HydrophobicContact CD1-CD2 4.1Å; F1329-L1348 HydrophobicContact CE1-CD2 4.22Å; A1337-L1348 HydrophobicContact CB-CD1 4.09Å; A1337-L1348 HydrophobicContact CB-CD2 4.13Å; A1337-L1348 HydrophobicContact CB-CG 4.09Å; E1338-L1348 CarbonylContact O-C 3.56Å; E1338-L1348 WeakPolarHBondContact O-CA 3.43Å; F1339-L1348 HydrophobicContact CD1-CD1 3.91Å; F1339-L1348 HydrophobicContact CE1-CD1 4.15Å; F1339-L1348 HydrophobicContact CG-CD1 4.42Å; L1348-V1358 CarbonylContact O-C 3.56Å; L1348-V1358 WeakPolarHBondContact O-CA 3.26Å; L1348-F1359 PolarHBondContact N-O 3.03Å; L1348-F1359 PolarHBondContact O-N 2.77Å; L1348-L1361 HydrophobicContact CB-CD1 4.31Å; L1348-L1361 HydrophobicContact CB-CD2 4.06Å; L1348-L1361 HydrophobicContact CB-CG 4.24Å |
| 1349 | V | 93.6 | Very high | 88.6 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 132 | 160.6 | 61.5 | 0 | 0 | 0 | 0 | 107.5 | A1337 E1338 A1356 V1358 A1384 F1386 V1393 | A1337-V1349 CarbonylContact C-O 3.56Å; A1337-V1349 WeakPolarHBondContact CA-O 3.35Å; A1337-V1349 VanDerWaalsContact CB-O 3.31Å; A1337-V1349 WeakPolarHBondContact CB-O 3.28Å; E1338-V1349 HydrophobicContact CB-CG1 3.89Å; E1338-V1349 PolarHBondContact N-O 3.36Å; E1338-V1349 PolarHBondContact O-N 3.23Å; V1349-A1356 HydrophobicContact CG2-CB 3.99Å; V1349-V1358 HydrophobicContact CB-CG2 4.25Å; V1349-V1358 HydrophobicContact CG2-CG2 4.01Å; V1349-A1384 WeakPolarHBondContact CG1-O 3.33Å; V1349-A1384 HydrophobicContact CG2-CB 4.02Å; V1349-F1386 HydrophobicContact CB-CD2 4.24Å; V1349-F1386 HydrophobicContact CB-CE2 3.67Å; V1349-F1386 HydrophobicContact CB-CZ 3.92Å; V1349-F1386 HydrophobicContact CG1-CD2 3.65Å; V1349-F1386 HydrophobicContact CG1-CE2 3.52Å; V1349-F1386 HydrophobicContact CG1-CG 4.47Å; V1349-F1386 HydrophobicContact CG1-CZ 4.24Å; V1349-V1393 HydrophobicContact CG2-CG1 4.28Å |
| 1350 | A | 92 | Very high | 88.4 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 142.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | A1334 H1336 A1337 Y1352 A1356 K1357 F1359 | A1334-A1350 HydrophobicContact CB-CB 3.84Å; H1336-A1350 CarbonylContact O-C 3.35Å; H1336-A1350 WeakPolarHBondContact O-CA 3.42Å; A1337-A1350 HydrophobicContact CB-CB 4Å; A1350-Y1352 HydrophobicContact CB-CE2 3.97Å; A1350-Y1352 WeakPolarHBondContact O-CD2 3.47Å; A1350-A1356 CarbonylContact O-C 3.56Å; A1350-A1356 VanDerWaalsContact O-CA 3.27Å; A1350-A1356 WeakPolarHBondContact O-CA 3.45Å; A1350-K1357 PolarHBondContact N-O 3.3Å; A1350-K1357 PolarHBondContact O-N 2.63Å; A1350-F1359 HydrophobicContact CB-CD2 4.46Å; A1350-F1359 HydrophobicContact CB-CE2 4.03Å |
| 1351 | T | 91 | Very high | 88.2 | Confident | 6 Ų | 6 | 37.6 Ų | 37.6 | 4% | 0.037 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 136.6 | -169.3 | -34.5 | 0 | 0 | 0 | 0 | 110.4 | H1336 N1382 A1384 | H1336-T1351 PolarHBondContact O-N 3.23Å; H1336-T1351 PolarHBondContact O-OG1 3.12Å; T1351-N1382 WeakPolarHBondContact CG2-O 3.42Å; T1351-A1384 HydrophobicContact CG2-CB 3.97Å; T1351-A1384 WeakPolarHBondContact OG1-CB 3.44Å; T1351-A1384 PolarHBondContact OG1-N 3.07Å |
| 1352 | Y | 87.1 | Confident | 88 | Confident | 37 Ų | 37 | 40.2 Ų | 40.2 | 15% | 0.145 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 77.4 | -171.7 | -64 | -101.9 | 0 | 0 | 0 | 107.4 | V1331 S1332 E1333 A1334 A1350 K1354 M1355 K1357 | V1331-Y1352 WeakPolarHBondContact CG1-OH 3.48Å; S1332-Y1352 VanDerWaalsContact O-CE1 3.26Å; S1332-Y1352 WeakPolarHBondContact O-CE1 3.43Å; S1332-Y1352 PolarHBondContact O-OH 3.32Å; E1333-Y1352 HydrophobicContact CB-CD1 3.8Å; E1333-Y1352 HydrophobicContact CB-CE1 3.78Å; E1333-Y1352 HydrophobicContact CG-CE1 4.44Å; E1333-Y1352 WeakPolarHBondContact OE2-CD1 3.38Å; E1333-Y1352 VanDerWaalsContact OE2-CE1 3.23Å; E1333-Y1352 WeakPolarHBondContact OE2-CE1 3.18Å; A1334-Y1352 HydrophobicContact CB-CE1 4.03Å; A1334-Y1352 HydrophobicContact CB-CE2 4.02Å; A1350-Y1352 HydrophobicContact CB-CE2 3.97Å; A1350-Y1352 WeakPolarHBondContact O-CD2 3.47Å; Y1352-K1354 PolarHBondContact O-N 3.39Å; Y1352-M1355 PolarHBondContact N-O 3.27Å; Y1352-M1355 PolarHBondContact O-N 3.37Å; Y1352-K1357 VanDerWaalsContact CD1-NZ 3.28Å; Y1352-K1357 HydrophobicContact CD2-CB 4.3Å; Y1352-K1357 HydrophobicContact CD2-CD 3.83Å; Y1352-K1357 HydrophobicContact CD2-CG 3.71Å; Y1352-K1357 HydrophobicContact CE1-CD 4.16Å; Y1352-K1357 HydrophobicContact CE2-CB 3.74Å; Y1352-K1357 HydrophobicContact CE2-CD 3.36Å; Y1352-K1357 HydrophobicContact CE2-CG 3.46Å; Y1352-K1357 VanDerWaalsContact CE2-CG 3.46Å; Y1352-K1357 HydrophobicContact CG-CD 4.4Å |
| 1353 | G | 82.4 | Confident | 88 | Confident | 58 Ų | 58 | 41 Ų | 41 | 60% | 0.598 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.5 | -114.4 | -169 | 0 | 0 | 0 | 0 | 0 | 111.3 | M1355 N1382 | G1353-M1355 VanDerWaalsContact C-N 3.35Å; G1353-M1355 PolarHBondContact O-N 3.04Å; G1353-N1382 PolarHBondContact O-ND2 2.94Å |
| 1354 | K | 82.7 | Confident | 88.1 | Confident | 86 Ų | 86 | 45 Ų | 45 | 37% | 0.374 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -16.9 | 179.9 | -51.8 | 169.1 | -163.5 | 161.2 | 0 | 113.9 | E689 Y1352 F1371 N1395 | E689-K1354 IonicContact OE2-NZ 3.15Å; E689-K1354 PolarHBondContact OE2-NZ 3.28Å; Y1352-K1354 PolarHBondContact O-N 3.39Å; K1354-F1371 HydrophobicContact CB-CD2 4.45Å; K1354-F1371 HydrophobicContact CB-CE2 4.11Å; K1354-N1395 PolarHBondContact O-ND2 3.47Å |
| 1355 | M | 87.4 | Confident | 88.5 | Confident | 54 Ų | 54 | 42.3 Ų | 42.3 | 27% | 0.266 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 150.4 | -177.3 | 176.6 | 179.8 | -54.4 | 0 | 0 | 111.6 | Y1352 G1353 K1357 F1371 | Y1352-M1355 PolarHBondContact N-O 3.27Å; Y1352-M1355 PolarHBondContact O-N 3.37Å; G1353-M1355 VanDerWaalsContact C-N 3.35Å; G1353-M1355 PolarHBondContact O-N 3.04Å; M1355-K1357 HydrophobicContact CG-CG 4.35Å; M1355-K1357 HydrophobicContact SD-CD 4.41Å; M1355-K1357 HydrophobicContact SD-CG 4.09Å; M1355-F1371 HydrophobicContact CB-CB 4.14Å; M1355-F1371 HydrophobicContact CB-CD2 4.28Å; M1355-F1371 HydrophobicContact CB-CG 4.46Å; M1355-F1371 HydrophobicContact CE-CB 3.88Å; M1355-F1371 HydrophobicContact CE-CD1 4.34Å; M1355-F1371 HydrophobicContact CE-CG 4.08Å; M1355-F1371 HydrophobicContact CG-CB 3.98Å |
| 1356 | A | 90.3 | Very high | 88.2 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 142.1 | 162.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | V1349 A1350 L1370 A1384 N1395 | V1349-A1356 HydrophobicContact CG2-CB 3.99Å; A1350-A1356 CarbonylContact O-C 3.56Å; A1350-A1356 VanDerWaalsContact O-CA 3.27Å; A1350-A1356 WeakPolarHBondContact O-CA 3.45Å; A1356-L1370 HydrophobicContact CB-CB 4.23Å; A1356-L1370 HydrophobicContact CB-CD1 4.23Å; A1356-L1370 PolarHBondContact N-O 3.43Å; A1356-L1370 WeakPolarHBondContact O-CA 3.24Å; A1356-L1370 WeakPolarHBondContact O-CB 3.44Å; A1356-L1370 PolarHBondContact O-N 3.04Å; A1356-A1384 HydrophobicContact CB-CB 3.48Å; A1356-A1384 VanDerWaalsContact CB-CB 3.48Å; A1356-N1395 HydrophobicContact CB-CB 4.1Å; A1356-N1395 PolarHBondContact N-ND2 3.44Å |
| 1357 | K | 90.8 | Very high | 88.1 | Confident | 33 Ų | 33 | 48 Ų | 48 | 14% | 0.143 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 129.9 | 176.5 | -50.1 | 178 | -161.2 | 157.7 | 0 | 108 | E1333 A1350 Y1352 M1355 F1359 | E1333-K1357 IonicContact OE2-NZ 3.32Å; E1333-K1357 PolarHBondContact OE2-NZ 3.27Å; A1350-K1357 PolarHBondContact N-O 3.3Å; A1350-K1357 PolarHBondContact O-N 2.63Å; Y1352-K1357 VanDerWaalsContact CD1-NZ 3.28Å; Y1352-K1357 HydrophobicContact CD2-CB 4.3Å; Y1352-K1357 HydrophobicContact CD2-CD 3.83Å; Y1352-K1357 HydrophobicContact CD2-CG 3.71Å; Y1352-K1357 HydrophobicContact CE1-CD 4.16Å; Y1352-K1357 HydrophobicContact CE2-CB 3.74Å; Y1352-K1357 HydrophobicContact CE2-CD 3.36Å; Y1352-K1357 HydrophobicContact CE2-CG 3.46Å; Y1352-K1357 VanDerWaalsContact CE2-CG 3.46Å; Y1352-K1357 HydrophobicContact CG-CD 4.4Å; M1355-K1357 HydrophobicContact CG-CG 4.35Å; M1355-K1357 HydrophobicContact SD-CD 4.41Å; M1355-K1357 HydrophobicContact SD-CG 4.09Å; K1357-F1359 HydrophobicContact CB-CE2 3.79Å; K1357-F1359 HydrophobicContact CB-CZ 3.83Å; K1357-F1359 HydrophobicContact CD-CZ 4.48Å |
| 1358 | V | 91.4 | Very high | 87.8 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 134.3 | 178.2 | 179.7 | 0 | 0 | 0 | 0 | 109.4 | L1348 V1349 R1366 V1367 A1368 L1370 F1386 V1393 L1402 | L1348-V1358 CarbonylContact O-C 3.56Å; L1348-V1358 WeakPolarHBondContact O-CA 3.26Å; V1349-V1358 HydrophobicContact CB-CG2 4.25Å; V1349-V1358 HydrophobicContact CG2-CG2 4.01Å; V1358-R1366 CarbonylContact O-C 3.49Å; V1358-V1367 HydrophobicContact CB-CB 4.47Å; V1358-V1367 HydrophobicContact CG1-CB 4.2Å; V1358-V1367 PolarHBondContact O-N 2.91Å; V1358-A1368 PolarHBondContact N-O 3.16Å; V1358-A1368 PolarHBondContact O-N 2.76Å; V1358-L1370 HydrophobicContact CG2-CD1 3.82Å; V1358-L1370 HydrophobicContact CG2-CG 4.26Å; V1358-F1386 HydrophobicContact CG1-CE1 4.35Å; V1358-F1386 HydrophobicContact CG1-CZ 4.09Å; V1358-V1393 HydrophobicContact CG2-CG2 4.49Å; V1358-L1402 HydrophobicContact CG1-CD1 4.27Å; V1358-L1402 HydrophobicContact CG2-CD1 4.35Å; V1358-L1402 HydrophobicContact CG2-CD2 4.15Å |
| 1359 | F | 91.3 | Very high | 87.5 | Confident | 22 Ų | 22 | 45.9 Ų | 45.9 | 10% | 0.096 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 149.7 | -179.5 | -56.6 | -85.8 | 0 | 0 | 0 | 111.2 | F1329 V1331 R1347 L1348 A1350 K1357 T1365 R1366 | F1329-F1359 HydrophobicContact CE1-CB 3.79Å; F1329-F1359 HydrophobicContact CE1-CD1 4.14Å; F1329-F1359 HydrophobicContact CE1-CD2 4.07Å; F1329-F1359 AromaticContact CE1-CG 3.75Å; F1329-F1359 HydrophobicContact CE1-CG 3.75Å; F1329-F1359 HydrophobicContact CZ-CB 3.74Å; F1329-F1359 AromaticContact CZ-CD1 3.59Å; F1329-F1359 HydrophobicContact CZ-CD1 3.59Å; F1329-F1359 HydrophobicContact CZ-CD2 4.36Å; F1329-F1359 HydrophobicContact CZ-CE1 4.25Å; F1329-F1359 AromaticContact CZ-CG 3.65Å; F1329-F1359 HydrophobicContact CZ-CG 3.65Å; V1331-F1359 HydrophobicContact CG1-CE2 4.41Å; V1331-F1359 HydrophobicContact CG1-CZ 4.5Å; V1331-F1359 HydrophobicContact CG2-CE2 4.42Å; R1347-F1359 VanDerWaalsContact CA-O 3.24Å; R1347-F1359 WeakPolarHBondContact CA-O 3.47Å; R1347-F1359 WeakPolarHBondContact CB-O 3.42Å; L1348-F1359 PolarHBondContact N-O 3.03Å; L1348-F1359 PolarHBondContact O-N 2.77Å; A1350-F1359 HydrophobicContact CB-CD2 4.46Å; A1350-F1359 HydrophobicContact CB-CE2 4.03Å; K1357-F1359 HydrophobicContact CB-CE2 3.79Å; K1357-F1359 HydrophobicContact CB-CZ 3.83Å; K1357-F1359 HydrophobicContact CD-CZ 4.48Å; F1359-T1365 WeakPolarHBondContact CA-O 3.41Å; F1359-R1366 HydrophobicContact CD1-CB 3.87Å; F1359-R1366 HydrophobicContact CD1-CG 4.3Å; F1359-R1366 HydrophobicContact CE1-CB 3.84Å; F1359-R1366 HydrophobicContact CE1-CG 4.08Å |
| 1360 | D | 89.6 | Confident | 87.2 | Confident | 30 Ų | 30 | 45.9 Ų | 45.9 | 16% | 0.16 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 122.2 | 167.4 | -175.8 | -51.8 | 0 | 0 | 0 | 108.1 | T1362 T1363 R1364 T1365 V1367 | D1360-T1362 VanDerWaalsContact C-N 3.33Å; D1360-T1362 WeakPolarHBondContact OD1-CA 3.47Å; D1360-T1362 VanDerWaalsContact OD1-CB 3.29Å; D1360-T1362 WeakPolarHBondContact OD1-CB 3.41Å; D1360-T1362 PolarHBondContact OD1-N 3.45Å; D1360-T1363 WeakPolarHBondContact CB-OG1 3.29Å; D1360-T1363 PolarHBondContact OD1-N 2.83Å; D1360-T1363 PolarHBondContact OD1-OG1 2.74Å; D1360-R1364 CarbonylContact O-C 3.6Å; D1360-R1364 WeakPolarHBondContact O-CA 3.46Å; D1360-R1364 PolarHBondContact O-N 3.22Å; D1360-T1365 PolarHBondContact N-O 2.7Å; D1360-T1365 PolarHBondContact O-N 2.87Å; D1360-V1367 HydrophobicContact CB-CG2 3.75Å |
| 1361 | L | 88.3 | Confident | 86.9 | Confident | 11 Ų | 11 | 48.6 Ų | 48.6 | 6% | 0.058 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -17.8 | -174.1 | -64.5 | 172.4 | 0 | 0 | 0 | 112.4 | V1303 F1329 F1339 D1346 L1348 | V1303-L1361 HydrophobicContact CG2-CD2 4.33Å; F1329-L1361 HydrophobicContact CB-CD2 3.72Å; F1329-L1361 HydrophobicContact CD1-CD2 3.49Å; F1329-L1361 VanDerWaalsContact CD1-CD2 3.49Å; F1329-L1361 HydrophobicContact CD2-CD2 4.41Å; F1329-L1361 HydrophobicContact CE1-CD2 4.18Å; F1329-L1361 HydrophobicContact CG-CD2 3.63Å; F1339-L1361 HydrophobicContact CD1-CD1 3.8Å; F1339-L1361 HydrophobicContact CE1-CD1 3.62Å; D1346-L1361 PolarHBondContact O-N 2.96Å; L1348-L1361 HydrophobicContact CB-CD1 4.31Å; L1348-L1361 HydrophobicContact CB-CD2 4.06Å; L1348-L1361 HydrophobicContact CB-CG 4.24Å |
| 1362 | T | 85.9 | Confident | 86.2 | Confident | 107 Ų | 107 | 49.8 Ų | 49.8 | 66% | 0.656 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.8 | -44 | 177.8 | -50.7 | 0 | 0 | 0 | 0 | 110.5 | D1360 | D1360-T1362 VanDerWaalsContact C-N 3.33Å; D1360-T1362 WeakPolarHBondContact OD1-CA 3.47Å; D1360-T1362 VanDerWaalsContact OD1-CB 3.29Å; D1360-T1362 WeakPolarHBondContact OD1-CB 3.41Å; D1360-T1362 PolarHBondContact OD1-N 3.45Å |
| 1363 | T | 85.2 | Confident | 85.4 | Confident | 79 Ų | 79 | 50.4 Ų | 50.4 | 49% | 0.485 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | -15.6 | 176.7 | 61.9 | 0 | 0 | 0 | 0 | 113.2 | D1360 T1365 | D1360-T1363 WeakPolarHBondContact CB-OG1 3.29Å; D1360-T1363 PolarHBondContact OD1-N 2.83Å; D1360-T1363 PolarHBondContact OD1-OG1 2.74Å; T1363-T1365 PolarHBondContact O-N 3.09Å; T1363-T1365 PolarHBondContact OG1-N 2.8Å; T1363-T1365 PolarHBondContact OG1-OG1 3.4Å |
| 1364 | R | 83.2 | Confident | 84.6 | Confident | 140 Ų | 140 | 53.7 Ų | 53.7 | 53% | 0.528 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.5 | 22.2 | -168.6 | -59.7 | 175 | 160.9 | 172.6 | -9 | 113.7 | V1328 F1329 D1360 | V1328-R1364 PolarHBondContact O-NE 3.26Å; V1328-R1364 PolarHBondContact O-NH2 2.92Å; F1329-R1364 HydrophobicContact CD2-CB 4.11Å; F1329-R1364 HydrophobicContact CD2-CG 4.08Å; F1329-R1364 HydrophobicContact CE2-CB 4.04Å; D1360-R1364 CarbonylContact O-C 3.6Å; D1360-R1364 WeakPolarHBondContact O-CA 3.46Å; D1360-R1364 PolarHBondContact O-N 3.22Å |
| 1365 | T | 85.2 | Confident | 84.2 | Confident | 76 Ų | 76 | 52 Ų | 52 | 47% | 0.466 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 143.5 | -177 | 60.8 | 0 | 0 | 0 | 0 | 113 | F1359 D1360 T1363 V1367 | F1359-T1365 WeakPolarHBondContact CA-O 3.41Å; D1360-T1365 PolarHBondContact N-O 2.7Å; D1360-T1365 PolarHBondContact O-N 2.87Å; T1363-T1365 PolarHBondContact O-N 3.09Å; T1363-T1365 PolarHBondContact OG1-N 2.8Å; T1363-T1365 PolarHBondContact OG1-OG1 3.4Å; T1365-V1367 PolarHBondContact O-N 3.11Å |
| 1366 | R | 83.7 | Confident | 83.7 | Confident | 144 Ų | 144 | 51.2 Ų | 51.2 | 54% | 0.543 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 129.7 | 164.8 | -172.5 | 175.3 | 64 | 170.5 | -7.9 | 110.4 | V1358 F1359 D1369 | V1358-R1366 CarbonylContact O-C 3.49Å; F1359-R1366 HydrophobicContact CD1-CB 3.87Å; F1359-R1366 HydrophobicContact CD1-CG 4.3Å; F1359-R1366 HydrophobicContact CE1-CB 3.84Å; F1359-R1366 HydrophobicContact CE1-CG 4.08Å; R1366-D1369 WeakPolarHBondContact CD-OD1 3.15Å; R1366-D1369 IonicContact CZ-OD1 3.58Å; R1366-D1369 IonicContact CZ-OD2 3.46Å; R1366-D1369 IonicContact NE-OD1 3.88Å; R1366-D1369 IonicContact NE-OD2 3.62Å; R1366-D1369 PolarHBondContact NE-OD2 3.2Å; R1366-D1369 IonicContact NH1-OD1 2.8Å; R1366-D1369 PolarHBondContact NH1-OD1 2.84Å; R1366-D1369 IonicContact NH1-OD2 3.43Å; R1366-D1369 PolarHBondContact NH1-OD2 2.98Å; R1366-D1369 IonicContact NH2-OD2 2.68Å |
| 1367 | V | 84.9 | Confident | 83.2 | Confident | 41 Ų | 41 | 51.3 Ų | 51.3 | 25% | 0.248 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | -44.3 | -177.9 | -179.5 | 0 | 0 | 0 | 0 | 111.3 | V1358 D1360 T1365 | V1358-V1367 HydrophobicContact CB-CB 4.47Å; V1358-V1367 HydrophobicContact CG1-CB 4.2Å; V1358-V1367 PolarHBondContact O-N 2.91Å; D1360-V1367 HydrophobicContact CB-CG2 3.75Å; T1365-V1367 PolarHBondContact O-N 3.11Å |
| 1368 | A | 85.5 | Confident | 82.6 | Confident | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.008 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.5 | 147.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | V1358 L1370 L1402 | V1358-A1368 PolarHBondContact N-O 3.16Å; V1358-A1368 PolarHBondContact O-N 2.76Å; A1368-L1370 HydrophobicContact CB-CD2 4.02Å; A1368-L1402 HydrophobicContact CB-CD2 4.33Å |
| 1369 | D | 86.3 | Confident | 82.3 | Confident | 39 Ų | 39 | 51.8 Ų | 51.8 | 21% | 0.209 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 138.1 | 163.2 | -56.5 | -74.5 | 0 | 0 | 0 | 109.7 | R1366 S1423 | R1366-D1369 WeakPolarHBondContact CD-OD1 3.15Å; R1366-D1369 IonicContact CZ-OD1 3.58Å; R1366-D1369 IonicContact CZ-OD2 3.46Å; R1366-D1369 IonicContact NE-OD1 3.88Å; R1366-D1369 IonicContact NE-OD2 3.62Å; R1366-D1369 PolarHBondContact NE-OD2 3.2Å; R1366-D1369 IonicContact NH1-OD1 2.8Å; R1366-D1369 PolarHBondContact NH1-OD1 2.84Å; R1366-D1369 IonicContact NH1-OD2 3.43Å; R1366-D1369 PolarHBondContact NH1-OD2 2.98Å; R1366-D1369 IonicContact NH2-OD2 2.68Å; D1369-S1423 PolarHBondContact O-OG 3.04Å |
| 1370 | L | 87.9 | Confident | 81.8 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 72.6 | -172.2 | -46.5 | -175.2 | 0 | 0 | 0 | 110.5 | A1356 V1358 A1368 V1393 N1395 W1400 L1402 S1423 | A1356-L1370 HydrophobicContact CB-CB 4.23Å; A1356-L1370 HydrophobicContact CB-CD1 4.23Å; A1356-L1370 PolarHBondContact N-O 3.43Å; A1356-L1370 WeakPolarHBondContact O-CA 3.24Å; A1356-L1370 WeakPolarHBondContact O-CB 3.44Å; A1356-L1370 PolarHBondContact O-N 3.04Å; V1358-L1370 HydrophobicContact CG2-CD1 3.82Å; V1358-L1370 HydrophobicContact CG2-CG 4.26Å; A1368-L1370 HydrophobicContact CB-CD2 4.02Å; L1370-V1393 HydrophobicContact CD1-CB 3.72Å; L1370-V1393 HydrophobicContact CD1-CG1 3.43Å; L1370-V1393 VanDerWaalsContact CD1-CG1 3.43Å; L1370-V1393 HydrophobicContact CD1-CG2 4.14Å; L1370-N1395 PolarHBondContact O-ND2 2.91Å; L1370-W1400 HydrophobicContact CB-CD2 4.02Å; L1370-W1400 HydrophobicContact CB-CE3 4.35Å; L1370-W1400 HydrophobicContact CB-CG 4.3Å; L1370-W1400 HydrophobicContact CD1-CG 4.46Å; L1370-W1400 HydrophobicContact CD2-CB 4.31Å; L1370-W1400 HydrophobicContact CD2-CD2 4.38Å; L1370-W1400 HydrophobicContact CD2-CE3 4.32Å; L1370-W1400 HydrophobicContact CD2-CG 4.37Å; L1370-L1402 HydrophobicContact CD1-CD2 4.38Å; L1370-L1402 HydrophobicContact CD2-CD2 3.77Å; L1370-S1423 WeakPolarHBondContact CD2-OG 3.48Å |
| 1371 | F | 84.4 | Confident | 81.4 | Confident | 56 Ų | 56 | 53.6 Ų | 53.6 | 25% | 0.246 | 29% | 0.29 | C | S | . | . | trans | -138.2 | 144.2 | 179 | 177.4 | -106.8 | 0 | 0 | 0 | 112.6 | K1354 M1355 A1373 Q1376 W1400 | K1354-F1371 HydrophobicContact CB-CD2 4.45Å; K1354-F1371 HydrophobicContact CB-CE2 4.11Å; M1355-F1371 HydrophobicContact CB-CB 4.14Å; M1355-F1371 HydrophobicContact CB-CD2 4.28Å; M1355-F1371 HydrophobicContact CB-CG 4.46Å; M1355-F1371 HydrophobicContact CE-CB 3.88Å; M1355-F1371 HydrophobicContact CE-CD1 4.34Å; M1355-F1371 HydrophobicContact CE-CG 4.08Å; M1355-F1371 HydrophobicContact CG-CB 3.98Å; F1371-A1373 HydrophobicContact CE1-CB 4.3Å; F1371-A1373 HydrophobicContact CZ-CB 4.25Å; F1371-Q1376 VanDerWaalsContact CE2-OE1 3.27Å; F1371-W1400 VanDerWaalsContact C-CH2 3.43Å; F1371-W1400 WeakPolarHBondContact O-CH2 3.44Å | ||
| 1372 | S | 77.4 | Confident | 81.4 | Confident | 32 Ų | 32 | 53.8 Ų | 53.8 | 22% | 0.224 | 29% | 0.291 | C | S | . | . | trans | -157.4 | 104.2 | 175.4 | -177.5 | 0 | 0 | 0 | 0 | 111.4 | V1374 K1375 Q1376 | S1372-V1374 PolarHBondContact O-N 3.04Å; S1372-V1374 VanDerWaalsContact O-N 3.07Å; S1372-K1375 CarbonylContact O-C 3.58Å; S1372-K1375 PolarHBondContact O-N 2.73Å; S1372-Q1376 PolarHBondContact O-N 2.77Å | ||
| 1373 | A | 69.2 | Low | 81.7 | Confident | 49 Ų | 49 | 50.2 Ų | 50.2 | 41% | 0.405 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.5 | -31.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | F1371 K1375 | F1371-A1373 HydrophobicContact CE1-CB 4.3Å; F1371-A1373 HydrophobicContact CZ-CB 4.25Å; A1373-K1375 VanDerWaalsContact C-N 3.32Å; A1373-K1375 PolarHBondContact O-N 2.68Å |
| 1374 | V | 66.3 | Low | 82.1 | Confident | 127 Ų | 127 | 46.4 Ų | 46.4 | 77% | 0.77 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -14.1 | 178.9 | -172.8 | 0 | 0 | 0 | 0 | 113.1 | S1372 | S1372-V1374 PolarHBondContact O-N 3.04Å; S1372-V1374 VanDerWaalsContact O-N 3.07Å |
| 1375 | K | 74.3 | Confident | 82.6 | Confident | 52 Ų | 52 | 40.4 Ų | 40.4 | 23% | 0.226 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -124.3 | -9.4 | -176.8 | -80.3 | -171.5 | 171.1 | -166.2 | 0 | 115 | S1372 A1373 V1398 P1425 I1426 K1428 | S1372-K1375 CarbonylContact O-C 3.58Å; S1372-K1375 PolarHBondContact O-N 2.73Å; A1373-K1375 VanDerWaalsContact C-N 3.32Å; A1373-K1375 PolarHBondContact O-N 2.68Å; K1375-V1398 HydrophobicContact CB-CG1 4.48Å; K1375-V1398 HydrophobicContact CB-CG2 4.03Å; K1375-V1398 HydrophobicContact CD-CG1 4.27Å; K1375-V1398 WeakPolarHBondContact O-CG2 3.31Å; K1375-P1425 HydrophobicContact CD-CB 3.73Å; K1375-P1425 HydrophobicContact CD-CG 3.78Å; K1375-P1425 PolarHBondContact NZ-O 2.73Å; K1375-I1426 PolarHBondContact NZ-O 3.46Å; K1375-K1428 WeakPolarHBondContact O-CD 3.33Å; K1375-K1428 WeakPolarHBondContact O-CE 3.5Å; K1375-K1428 WeakPolarHBondContact O-CG 3.21Å |
| 1376 | Q | 76.2 | Confident | 83 | Confident | 36 Ų | 36 | 36.9 Ų | 36.9 | 17% | 0.168 | 20% | 0.201 | C | C | . | . | trans | -53 | 147.2 | 175.7 | 70.5 | -170.1 | 3.6 | 0 | 0 | 111.7 | F1371 S1372 D1396 K1428 | F1371-Q1376 VanDerWaalsContact CE2-OE1 3.27Å; S1372-Q1376 PolarHBondContact O-N 2.77Å; Q1376-D1396 VanDerWaalsContact CA-OD2 3.23Å; Q1376-D1396 WeakPolarHBondContact CA-OD2 3.48Å; Q1376-D1396 VanDerWaalsContact CB-OD2 3.29Å; Q1376-D1396 WeakPolarHBondContact CB-OD2 3.46Å; Q1376-K1428 VanDerWaalsContact O-CE 3.27Å; Q1376-K1428 WeakPolarHBondContact O-CE 3.42Å; Q1376-K1428 PolarHBondContact O-NZ 2.82Å | ||
| 1377 | S | 79.9 | Confident | 83.5 | Confident | 2 Ų | 2 | 30.2 Ų | 30.2 | 1% | 0.014 | 18% | 0.176 | C | C | . | . | trans | -111 | -20.1 | 178.3 | -51.5 | 0 | 0 | 0 | 0 | 112.5 | Y1379 D1396 K1428 K1431 | S1377-Y1379 VanDerWaalsContact CB-CE2 3.41Å; S1377-D1396 WeakPolarHBondContact CB-O 3.15Å; S1377-D1396 PolarHBondContact N-OD2 3.16Å; S1377-D1396 PolarHBondContact OG-O 2.87Å; S1377-K1428 VanDerWaalsContact OG-CE 3.31Å; S1377-K1428 WeakPolarHBondContact OG-CE 3.21Å; S1377-K1431 WeakPolarHBondContact O-CD 3.48Å; S1377-K1431 WeakPolarHBondContact O-CE 3.33Å; S1377-K1431 PolarHBondContact O-NZ 2.93Å | ||
| 1378 | G | 78.6 | Confident | 83.8 | Confident | 33 Ų | 33 | 30.4 Ų | 30.4 | 34% | 0.34 | 18% | 0.178 | S | C | . | . | trans | 60 | 57.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | D1396 K1431 | G1378-D1396 PolarHBondContact N-OD1 3.48Å; G1378-D1396 PolarHBondContact N-OD2 3.3Å; G1378-D1396 VanDerWaalsContact N-OD2 3.07Å; G1378-K1431 PolarHBondContact O-NZ 3.37Å | ||
| 1379 | Y | 84.7 | Confident | 84 | Confident | 11 Ų | 11 | 32.8 Ų | 32.8 | 4% | 0.043 | 20% | 0.195 | C | C | . | . | trans | -74.3 | 137.3 | 164 | -68.4 | -82.1 | 0 | 0 | 0 | 110.1 | S1377 D1396 K1431 Q1433 D1434 V1436 I1449 | S1377-Y1379 VanDerWaalsContact CB-CE2 3.41Å; Y1379-D1396 VanDerWaalsContact CD2-OD1 3.3Å; Y1379-D1396 WeakPolarHBondContact CD2-OD1 3.41Å; Y1379-D1396 PolarHBondContact N-OD1 3.12Å; Y1379-K1431 HydrophobicContact CE1-CD 4.47Å; Y1379-K1431 HydrophobicContact CE1-CG 3.98Å; Y1379-Q1433 WeakPolarHBondContact CE1-O 3.41Å; Y1379-D1434 VanDerWaalsContact CA-O 3.32Å; Y1379-D1434 WeakPolarHBondContact CA-O 3.4Å; Y1379-V1436 WeakPolarHBondContact CD1-O 3.36Å; Y1379-V1436 VanDerWaalsContact CE1-O 3.24Å; Y1379-V1436 WeakPolarHBondContact CE1-O 3.29Å; Y1379-I1449 HydrophobicContact CE1-CG2 4.22Å | ||
| 1380 | I | 80.3 | Confident | 84.2 | Confident | 80 Ų | 80 | 31.2 Ų | 31.2 | 41% | 0.41 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -63.1 | -178.8 | -59.6 | 168.6 | 0 | 0 | 0 | 109.1 | N1382 D1434 I1435 L1497 | I1380-N1382 PolarHBondContact O-N 3.19Å; I1380-D1434 PolarHBondContact N-O 3.42Å; I1380-I1435 PolarHBondContact N-O 2.72Å; I1380-L1497 HydrophobicContact CD1-CD2 4.01Å |
| 1381 | L | 81.5 | Confident | 84.3 | Confident | 10 Ų | 10 | 37.2 Ų | 37.2 | 5% | 0.052 | 21% | 0.21 | C | C | . | . | B | Isolated β-bridge | trans | -81.4 | 64.9 | 170.4 | -63.9 | -178.3 | 0 | 0 | 0 | 110.2 | K1383 I1435 S1437 L1489 | L1381-K1383 PolarHBondContact O-N 3.1Å; L1381-I1435 CarbonylContact C-O 3.49Å; L1381-I1435 WeakPolarHBondContact CA-O 3.49Å; L1381-I1435 HydrophobicContact CB-CG2 4.39Å; L1381-I1435 WeakPolarHBondContact CB-O 3.15Å; L1381-I1435 HydrophobicContact CD1-CG2 3.86Å; L1381-I1435 HydrophobicContact CG-CG2 4.11Å; L1381-I1435 PolarHBondContact N-O 3.19Å; L1381-S1437 PolarHBondContact O-N 3.49Å; L1381-L1489 HydrophobicContact CD1-CD2 3.98Å; L1381-L1489 HydrophobicContact CD1-CG 4.15Å; L1381-L1489 HydrophobicContact CD2-CD2 3.85Å; L1381-L1489 HydrophobicContact CG-CD2 4.1Å |
| 1382 | N | 89.4 | Confident | 84.6 | Confident | 14 Ų | 14 | 35.6 Ų | 35.6 | 8% | 0.075 | 20% | 0.204 | C | C | . | . | trans | -74 | 108.3 | 170.1 | -177.6 | 43.6 | 0 | 0 | 0 | 110.9 | T1351 G1353 I1380 N1395 D1396 S1437 | T1351-N1382 WeakPolarHBondContact CG2-O 3.42Å; G1353-N1382 PolarHBondContact O-ND2 2.94Å; I1380-N1382 PolarHBondContact O-N 3.19Å; N1382-N1395 PolarHBondContact ND2-OD1 2.72Å; N1382-N1395 PolarHBondContact OD1-OD1 2.75Å; N1382-D1396 VanDerWaalsContact OD1-CA 3.28Å; N1382-D1396 WeakPolarHBondContact OD1-CA 3.29Å; N1382-D1396 PolarHBondContact OD1-N 2.98Å; N1382-S1437 WeakPolarHBondContact OD1-CB 3.23Å | ||
| 1383 | K | 90.8 | Very high | 85.4 | Confident | 32 Ų | 32 | 34 Ų | 34 | 14% | 0.139 | 19% | 0.193 | C | C | . | . | trans | -112.7 | 122.1 | 172.1 | -65.6 | 176.1 | -178.4 | -178.9 | 0 | 107.9 | H1336 L1381 S1437 E1472 F1487 | H1336-K1383 WeakPolarHBondContact NE2-CD 3.23Å; L1381-K1383 PolarHBondContact O-N 3.1Å; K1383-S1437 PolarHBondContact N-OG 3.29Å; K1383-S1437 PolarHBondContact O-OG 3.03Å; K1383-E1472 VanDerWaalsContact CD-OE1 3.23Å; K1383-E1472 WeakPolarHBondContact CD-OE1 3.42Å; K1383-E1472 IonicContact NZ-OE1 3.09Å; K1383-E1472 PolarHBondContact NZ-OE1 2.76Å; K1383-E1472 IonicContact NZ-OE2 3.71Å; K1383-E1472 PolarHBondContact NZ-OE2 3Å; K1383-F1487 PolarHBondContact NZ-O 3.29Å | ||
| 1384 | A | 93.5 | Very high | 86.6 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.174 | C | C | . | . | trans | -93 | 130.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | V1349 T1351 A1356 L1394 N1395 | V1349-A1384 WeakPolarHBondContact CG1-O 3.33Å; V1349-A1384 HydrophobicContact CG2-CB 4.02Å; T1351-A1384 HydrophobicContact CG2-CB 3.97Å; T1351-A1384 WeakPolarHBondContact OG1-CB 3.44Å; T1351-A1384 PolarHBondContact OG1-N 3.07Å; A1356-A1384 HydrophobicContact CB-CB 3.48Å; A1356-A1384 VanDerWaalsContact CB-CB 3.48Å; A1384-L1394 WeakPolarHBondContact CA-O 3.48Å; A1384-N1395 HydrophobicContact CB-CB 4.08Å | ||
| 1385 | T | 94 | Very high | 87.8 | Confident | 14 Ų | 14 | 25.8 Ų | 25.8 | 9% | 0.086 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 147 | -169.1 | -176 | 0 | 0 | 0 | 0 | 113.5 | E1338 V1393 L1394 V1439 F1440 | E1338-T1385 WeakPolarHBondContact OE2-CA 3.49Å; E1338-T1385 WeakPolarHBondContact OE2-CB 3.31Å; E1338-T1385 PolarHBondContact OE2-OG1 3.25Å; T1385-V1393 WeakPolarHBondContact O-CA 3.25Å; T1385-V1393 WeakPolarHBondContact O-CG1 3.47Å; T1385-L1394 HydrophobicContact CG2-CB 4.22Å; T1385-L1394 PolarHBondContact N-O 3Å; T1385-L1394 PolarHBondContact O-N 3.33Å; T1385-V1439 HydrophobicContact CG2-CG1 4.49Å; T1385-F1440 HydrophobicContact CG2-CD2 4.18Å |
| 1386 | F | 94.9 | Very high | 88.5 | Confident | 2 Ų | 2 | 23.4 Ų | 23.4 | 1% | 0.009 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 146.1 | 175.1 | -72.7 | -79.8 | 0 | 0 | 0 | 111.9 | N1341 R1347 V1349 V1358 D1390 V1393 L1402 F1440 | N1341-F1386 PolarHBondContact ND2-O 2.78Å; R1347-F1386 HydrophobicContact CB-CZ 4.14Å; V1349-F1386 HydrophobicContact CB-CD2 4.24Å; V1349-F1386 HydrophobicContact CB-CE2 3.67Å; V1349-F1386 HydrophobicContact CB-CZ 3.92Å; V1349-F1386 HydrophobicContact CG1-CD2 3.65Å; V1349-F1386 HydrophobicContact CG1-CE2 3.52Å; V1349-F1386 HydrophobicContact CG1-CG 4.47Å; V1349-F1386 HydrophobicContact CG1-CZ 4.24Å; V1358-F1386 HydrophobicContact CG1-CE1 4.35Å; V1358-F1386 HydrophobicContact CG1-CZ 4.09Å; F1386-D1390 HydrophobicContact CD1-CB 4.28Å; F1386-V1393 HydrophobicContact CD1-CG2 3.62Å; F1386-V1393 HydrophobicContact CE1-CG2 3.87Å; F1386-V1393 HydrophobicContact CG-CG2 4.37Å; F1386-L1402 HydrophobicContact CD1-CD1 4.39Å; F1386-L1402 HydrophobicContact CE1-CD1 3.81Å; F1386-F1440 WeakPolarHBondContact O-CD2 3.38Å |
| 1387 | S | 93.1 | Very high | 89.1 | Confident | 3 Ų | 3 | 21.7 Ų | 21.7 | 2% | 0.021 | 12% | 0.119 | C | C | . | . | trans | -62.7 | 160.5 | 162.1 | 63.9 | 0 | 0 | 0 | 0 | 111.7 | N1341 S1389 D1390 L1392 F1440 | N1341-S1387 PolarHBondContact ND2-O 3.39Å; N1341-S1387 VanDerWaalsContact ND2-O 3.11Å; S1387-S1389 PolarHBondContact O-N 3.3Å; S1387-S1389 PolarHBondContact OG-OG 2.99Å; S1387-D1390 PolarHBondContact O-N 2.98Å; S1387-D1390 PolarHBondContact OG-N 3.45Å; S1387-L1392 WeakPolarHBondContact CB-O 3.44Å; S1387-L1392 PolarHBondContact N-O 3.42Å; S1387-L1392 PolarHBondContact OG-N 3.13Å; S1387-L1392 PolarHBondContact OG-O 2.96Å; S1387-L1392 VanDerWaalsContact OG-O 3.07Å; S1387-F1440 VanDerWaalsContact CA-CD2 3.45Å; S1387-F1440 VanDerWaalsContact N-CE2 3.32Å | ||
| 1388 | P | 91.2 | Very high | 89.6 | Confident | 45 Ų | 45 | 21.8 Ų | 21.8 | 29% | 0.292 | 12% | 0.12 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | 3.6 | 174 | -24.5 | 35 | 0 | 0 | 0 | 115.9 | ||
| 1389 | S | 89.3 | Confident | 90.3 | Very high | 51 Ų | 51 | 20.2 Ų | 20.2 | 36% | 0.357 | 10% | 0.103 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -126.6 | 2.4 | 179.7 | 69.1 | 0 | 0 | 0 | 0 | 113.6 | S1387 Y1391 | S1387-S1389 PolarHBondContact O-N 3.3Å; S1387-S1389 PolarHBondContact OG-OG 2.99Å; S1389-Y1391 VanDerWaalsContact O-CD2 3.22Å; S1389-Y1391 WeakPolarHBondContact O-CD2 3.22Å; S1389-Y1391 WeakPolarHBondContact O-CE2 3.36Å; S1389-Y1391 PolarHBondContact O-N 2.85Å |
| 1390 | D | 91 | Very high | 90.6 | Very high | 7 Ų | 7 | 20 Ų | 20 | 4% | 0.037 | 10% | 0.102 | C | C | . | . | S | Bend | trans | 55.6 | 1.4 | -179.8 | -54.8 | -30.8 | 0 | 0 | 0 | 117.5 | S1340 N1341 T1342 F1386 S1387 | S1340-D1390 WeakPolarHBondContact CB-OD2 3.5Å; N1341-D1390 WeakPolarHBondContact CB-OD1 3.47Å; N1341-D1390 PolarHBondContact N-OD1 3.24Å; N1341-D1390 PolarHBondContact N-OD2 2.6Å; T1342-D1390 WeakPolarHBondContact CA-OD2 3.48Å; T1342-D1390 VanDerWaalsContact CB-OD2 3.24Å; T1342-D1390 WeakPolarHBondContact CB-OD2 3.22Å; T1342-D1390 WeakPolarHBondContact CG2-OD2 3.37Å; T1342-D1390 PolarHBondContact N-OD2 3.26Å; T1342-D1390 PolarHBondContact OG1-OD2 3.27Å; F1386-D1390 HydrophobicContact CD1-CB 4.28Å; S1387-D1390 PolarHBondContact O-N 2.98Å; S1387-D1390 PolarHBondContact OG-N 3.45Å |
| 1391 | Y | 89.3 | Confident | 91.1 | Very high | 125 Ų | 125 | 17 Ų | 17 | 49% | 0.49 | 9% | 0.088 | S | C | . | . | S | Bend | trans | -80.5 | -27.4 | 175.3 | -59.5 | -55.2 | 0 | 0 | 0 | 113.4 | S1389 L1402 R1403 | S1389-Y1391 VanDerWaalsContact O-CD2 3.22Å; S1389-Y1391 WeakPolarHBondContact O-CD2 3.22Å; S1389-Y1391 WeakPolarHBondContact O-CE2 3.36Å; S1389-Y1391 PolarHBondContact O-N 2.85Å; Y1391-L1402 PolarHBondContact O-N 3.26Å; Y1391-R1403 HydrophobicContact CD1-CG 3.96Å |
| 1392 | L | 92.4 | Very high | 91.3 | Very high | 22 Ų | 22 | 17.3 Ų | 17.3 | 12% | 0.115 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 147.4 | 177.4 | -51.7 | -179.5 | 0 | 0 | 0 | 110.9 | S1387 V1399 W1400 D1401 I1426 F1440 L1456 | S1387-L1392 WeakPolarHBondContact CB-O 3.44Å; S1387-L1392 PolarHBondContact N-O 3.42Å; S1387-L1392 PolarHBondContact OG-N 3.13Å; S1387-L1392 PolarHBondContact OG-O 2.96Å; S1387-L1392 VanDerWaalsContact OG-O 3.07Å; L1392-V1399 HydrophobicContact CB-CG1 4.26Å; L1392-V1399 HydrophobicContact CD1-CG1 4.23Å; L1392-W1400 VanDerWaalsContact CA-O 3.23Å; L1392-W1400 WeakPolarHBondContact CA-O 3.41Å; L1392-W1400 WeakPolarHBondContact CD2-O 3.46Å; L1392-D1401 HydrophobicContact CD2-CB 4.09Å; L1392-I1426 HydrophobicContact CD2-CD1 3.74Å; L1392-F1440 HydrophobicContact CB-CE1 4.36Å; L1392-F1440 HydrophobicContact CB-CZ 3.97Å; L1392-L1456 HydrophobicContact CD1-CD1 4.09Å; L1392-L1456 HydrophobicContact CD1-CD2 4.13Å |
| 1393 | V | 93.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 143.7 | 170.1 | 174.3 | 0 | 0 | 0 | 0 | 109 | V1349 V1358 L1370 T1385 F1386 V1399 W1400 L1402 | V1349-V1393 HydrophobicContact CG2-CG1 4.28Å; V1358-V1393 HydrophobicContact CG2-CG2 4.49Å; L1370-V1393 HydrophobicContact CD1-CB 3.72Å; L1370-V1393 HydrophobicContact CD1-CG1 3.43Å; L1370-V1393 VanDerWaalsContact CD1-CG1 3.43Å; L1370-V1393 HydrophobicContact CD1-CG2 4.14Å; T1385-V1393 WeakPolarHBondContact O-CA 3.25Å; T1385-V1393 WeakPolarHBondContact O-CG1 3.47Å; F1386-V1393 HydrophobicContact CD1-CG2 3.62Å; F1386-V1393 HydrophobicContact CE1-CG2 3.87Å; F1386-V1393 HydrophobicContact CG-CG2 4.37Å; V1393-V1399 WeakPolarHBondContact O-CA 3.38Å; V1393-W1400 PolarHBondContact N-O 2.79Å; V1393-W1400 PolarHBondContact O-N 3.02Å; V1393-L1402 HydrophobicContact CG2-CD1 3.77Å; V1393-L1402 HydrophobicContact CG2-CD2 4.14Å; V1393-L1402 HydrophobicContact CG2-CG 4.05Å |
| 1394 | L | 94 | Very high | 89.9 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 122.6 | 169.4 | 176.7 | 62.6 | 0 | 0 | 0 | 107.3 | A1384 T1385 V1398 V1399 G1438 F1440 I1447 | A1384-L1394 WeakPolarHBondContact CA-O 3.48Å; T1385-L1394 HydrophobicContact CG2-CB 4.22Å; T1385-L1394 PolarHBondContact N-O 3Å; T1385-L1394 PolarHBondContact O-N 3.33Å; L1394-V1398 WeakPolarHBondContact CA-O 3.47Å; L1394-V1399 HydrophobicContact CD1-CG2 4Å; L1394-G1438 WeakPolarHBondContact CD2-O 3.46Å; L1394-F1440 HydrophobicContact CB-CD2 4.17Å; L1394-F1440 HydrophobicContact CB-CE2 3.5Å; L1394-F1440 HydrophobicContact CB-CZ 3.95Å; L1394-I1447 HydrophobicContact CD2-CG2 3.75Å |
| 1395 | N | 92.8 | Very high | 87.9 | Confident | 2 Ų | 2 | 28.5 Ų | 28.5 | 1% | 0.011 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 128.8 | 174.7 | 176.9 | 45.4 | 0 | 0 | 0 | 108.1 | K1354 A1356 L1370 N1382 A1384 G1397 V1398 | K1354-N1395 PolarHBondContact O-ND2 3.47Å; A1356-N1395 HydrophobicContact CB-CB 4.1Å; A1356-N1395 PolarHBondContact N-ND2 3.44Å; L1370-N1395 PolarHBondContact O-ND2 2.91Å; N1382-N1395 PolarHBondContact ND2-OD1 2.72Å; N1382-N1395 PolarHBondContact OD1-OD1 2.75Å; A1384-N1395 HydrophobicContact CB-CB 4.08Å; N1395-G1397 VanDerWaalsContact C-N 3.29Å; N1395-G1397 PolarHBondContact O-N 3.42Å; N1395-V1398 PolarHBondContact N-O 3.09Å; N1395-V1398 WeakPolarHBondContact O-CA 3.45Å; N1395-V1398 WeakPolarHBondContact O-CB 3.32Å; N1395-V1398 PolarHBondContact O-N 3.27Å; N1395-V1398 VanDerWaalsContact O-O 3.12Å |
| 1396 | D | 88.9 | Confident | 85.6 | Confident | 3 Ų | 3 | 31.2 Ų | 31.2 | 2% | 0.016 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.8 | 41.9 | 177 | -167.1 | 28.7 | 0 | 0 | 0 | 114.4 | Q1376 S1377 G1378 Y1379 N1382 V1398 | Q1376-D1396 VanDerWaalsContact CA-OD2 3.23Å; Q1376-D1396 WeakPolarHBondContact CA-OD2 3.48Å; Q1376-D1396 VanDerWaalsContact CB-OD2 3.29Å; Q1376-D1396 WeakPolarHBondContact CB-OD2 3.46Å; S1377-D1396 WeakPolarHBondContact CB-O 3.15Å; S1377-D1396 PolarHBondContact N-OD2 3.16Å; S1377-D1396 PolarHBondContact OG-O 2.87Å; G1378-D1396 PolarHBondContact N-OD1 3.48Å; G1378-D1396 PolarHBondContact N-OD2 3.3Å; G1378-D1396 VanDerWaalsContact N-OD2 3.07Å; Y1379-D1396 VanDerWaalsContact CD2-OD1 3.3Å; Y1379-D1396 WeakPolarHBondContact CD2-OD1 3.41Å; Y1379-D1396 PolarHBondContact N-OD1 3.12Å; N1382-D1396 VanDerWaalsContact OD1-CA 3.28Å; N1382-D1396 WeakPolarHBondContact OD1-CA 3.29Å; N1382-D1396 PolarHBondContact OD1-N 2.98Å; D1396-V1398 PolarHBondContact O-N 3.38Å |
| 1397 | G | 87.8 | Confident | 82.6 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.8 | 8.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | N1395 F1429 | N1395-G1397 VanDerWaalsContact C-N 3.29Å; N1395-G1397 PolarHBondContact O-N 3.42Å; G1397-F1429 WeakPolarHBondContact O-CD2 3.32Å; G1397-F1429 PolarHBondContact O-N 3.14Å |
| 1398 | V | 91.2 | Very high | 79.9 | Confident | 3 Ų | 3 | 47 Ų | 47 | 2% | 0.018 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 131.3 | 178.8 | -175.3 | 0 | 0 | 0 | 0 | 110.1 | K1375 L1394 N1395 D1396 W1400 P1425 H1427 K1428 | K1375-V1398 HydrophobicContact CB-CG1 4.48Å; K1375-V1398 HydrophobicContact CB-CG2 4.03Å; K1375-V1398 HydrophobicContact CD-CG1 4.27Å; K1375-V1398 WeakPolarHBondContact O-CG2 3.31Å; L1394-V1398 WeakPolarHBondContact CA-O 3.47Å; N1395-V1398 PolarHBondContact N-O 3.09Å; N1395-V1398 WeakPolarHBondContact O-CA 3.45Å; N1395-V1398 WeakPolarHBondContact O-CB 3.32Å; N1395-V1398 PolarHBondContact O-N 3.27Å; N1395-V1398 VanDerWaalsContact O-O 3.12Å; D1396-V1398 PolarHBondContact O-N 3.38Å; V1398-W1400 HydrophobicContact CB-CZ2 4.43Å; V1398-W1400 HydrophobicContact CG1-CD2 4.49Å; V1398-W1400 HydrophobicContact CG1-CZ2 3.95Å; V1398-W1400 PolarHBondContact O-NE1 3.13Å; V1398-P1425 HydrophobicContact CG1-CB 3.59Å; V1398-H1427 CarbonylContact C-O 3.42Å; V1398-H1427 VanDerWaalsContact CA-O 3.27Å; V1398-H1427 WeakPolarHBondContact CA-O 3.36Å; V1398-H1427 WeakPolarHBondContact CG1-O 3.48Å; V1398-K1428 HydrophobicContact CG2-CB 4.25Å; V1398-K1428 HydrophobicContact CG2-CG 4.21Å |
| 1399 | V | 92.6 | Very high | 76.9 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 132.9 | 174.8 | -176 | 0 | 0 | 0 | 0 | 110.5 | L1392 V1393 L1394 I1426 H1427 F1429 F1440 I1447 W1459 | L1392-V1399 HydrophobicContact CB-CG1 4.26Å; L1392-V1399 HydrophobicContact CD1-CG1 4.23Å; V1393-V1399 WeakPolarHBondContact O-CA 3.38Å; L1394-V1399 HydrophobicContact CD1-CG2 4Å; V1399-I1426 HydrophobicContact CG1-CD1 4.08Å; V1399-I1426 WeakPolarHBondContact O-CA 3.32Å; V1399-I1426 WeakPolarHBondContact O-CB 3.28Å; V1399-I1426 PolarHBondContact O-N 3.21Å; V1399-H1427 PolarHBondContact N-O 2.89Å; V1399-F1429 HydrophobicContact CG2-CD2 4.46Å; V1399-F1429 HydrophobicContact CG2-CE2 3.65Å; V1399-F1429 HydrophobicContact CG2-CZ 4.38Å; V1399-F1440 HydrophobicContact CG1-CZ 4.45Å; V1399-I1447 HydrophobicContact CG2-CD1 3.69Å; V1399-W1459 HydrophobicContact CB-CH2 4.28Å; V1399-W1459 HydrophobicContact CB-CZ3 4.28Å; V1399-W1459 HydrophobicContact CG1-CH2 4.29Å; V1399-W1459 HydrophobicContact CG2-CH2 4.44Å; V1399-W1459 HydrophobicContact CG2-CZ3 4Å |
| 1400 | W | 91.6 | Very high | 74.2 | Confident | 6 Ų | 6 | 54.2 Ų | 54.2 | 2% | 0.023 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 147 | -175.3 | -58.4 | 83.3 | 0 | 0 | 0 | 111 | L1370 F1371 L1392 V1393 V1398 S1423 P1425 | L1370-W1400 HydrophobicContact CB-CD2 4.02Å; L1370-W1400 HydrophobicContact CB-CE3 4.35Å; L1370-W1400 HydrophobicContact CB-CG 4.3Å; L1370-W1400 HydrophobicContact CD1-CG 4.46Å; L1370-W1400 HydrophobicContact CD2-CB 4.31Å; L1370-W1400 HydrophobicContact CD2-CD2 4.38Å; L1370-W1400 HydrophobicContact CD2-CE3 4.32Å; L1370-W1400 HydrophobicContact CD2-CG 4.37Å; F1371-W1400 VanDerWaalsContact C-CH2 3.43Å; F1371-W1400 WeakPolarHBondContact O-CH2 3.44Å; L1392-W1400 VanDerWaalsContact CA-O 3.23Å; L1392-W1400 WeakPolarHBondContact CA-O 3.41Å; L1392-W1400 WeakPolarHBondContact CD2-O 3.46Å; V1393-W1400 PolarHBondContact N-O 2.79Å; V1393-W1400 PolarHBondContact O-N 3.02Å; V1398-W1400 HydrophobicContact CB-CZ2 4.43Å; V1398-W1400 HydrophobicContact CG1-CD2 4.49Å; V1398-W1400 HydrophobicContact CG1-CZ2 3.95Å; V1398-W1400 PolarHBondContact O-NE1 3.13Å; W1400-S1423 VanDerWaalsContact CE3-OG 3.29Å; W1400-S1423 WeakPolarHBondContact CZ3-O 3.32Å; W1400-P1425 HydrophobicContact CD2-CB 3.99Å; W1400-P1425 HydrophobicContact CE3-CB 3.76Å; W1400-P1425 HydrophobicContact CE3-CG 4.31Å; W1400-P1425 HydrophobicContact CH2-CB 3.72Å; W1400-P1425 HydrophobicContact CH2-CG 3.9Å; W1400-P1425 HydrophobicContact CZ2-CB 3.95Å; W1400-P1425 HydrophobicContact CZ3-CB 3.64Å; W1400-P1425 VanDerWaalsContact CZ3-CD 3.49Å; W1400-P1425 HydrophobicContact CZ3-CG 3.77Å |
| 1401 | D | 90.1 | Very high | 71.2 | Confident | 19 Ų | 19 | 58.8 Ų | 58.8 | 10% | 0.102 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 112.9 | 171.2 | -161.7 | -41.1 | 0 | 0 | 0 | 110.6 | L1392 R1403 C1404 I1426 | L1392-D1401 HydrophobicContact CD2-CB 4.09Å; D1401-R1403 PolarHBondContact O-N 3.13Å; D1401-R1403 VanDerWaalsContact OD1-CB 3.23Å; D1401-R1403 WeakPolarHBondContact OD1-CB 3.44Å; D1401-R1403 WeakPolarHBondContact OD1-CG 3.44Å; D1401-R1403 IonicContact OD1-CZ 3.86Å; D1401-R1403 PolarHBondContact OD1-N 3.49Å; D1401-R1403 IonicContact OD1-NE 2.69Å; D1401-R1403 PolarHBondContact OD1-NE 3.01Å; D1401-R1403 IonicContact OD1-NH2 2.76Å; D1401-R1403 IonicContact OD2-CZ 3.46Å; D1401-R1403 IonicContact OD2-NE 3.55Å; D1401-R1403 PolarHBondContact OD2-NE 3.01Å; D1401-R1403 IonicContact OD2-NH2 2.69Å; D1401-R1403 PolarHBondContact OD2-NH2 2.77Å; D1401-C1404 HydrophobicContact CB-CB 4.18Å; D1401-C1404 PolarHBondContact O-N 3.16Å; D1401-I1426 HydrophobicContact CB-CD1 3.94Å; D1401-I1426 HydrophobicContact CB-CG1 4.21Å |
| 1402 | L | 86.4 | Confident | 68.6 | Low | 15 Ų | 15 | 62.9 Ų | 62.9 | 8% | 0.079 | 36% | 0.359 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -10.9 | -179.1 | -60.6 | -172.3 | 0 | 0 | 0 | 113.3 | V1358 A1368 L1370 F1386 Y1391 V1393 | V1358-L1402 HydrophobicContact CG1-CD1 4.27Å; V1358-L1402 HydrophobicContact CG2-CD1 4.35Å; V1358-L1402 HydrophobicContact CG2-CD2 4.15Å; A1368-L1402 HydrophobicContact CB-CD2 4.33Å; L1370-L1402 HydrophobicContact CD1-CD2 4.38Å; L1370-L1402 HydrophobicContact CD2-CD2 3.77Å; F1386-L1402 HydrophobicContact CD1-CD1 4.39Å; F1386-L1402 HydrophobicContact CE1-CD1 3.81Å; Y1391-L1402 PolarHBondContact O-N 3.26Å; V1393-L1402 HydrophobicContact CG2-CD1 3.77Å; V1393-L1402 HydrophobicContact CG2-CD2 4.14Å; V1393-L1402 HydrophobicContact CG2-CG 4.05Å |
| 1403 | R | 81.6 | Confident | 65.7 | Low | 146 Ų | 146 | 66.9 Ų | 66.9 | 55% | 0.551 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | -11.6 | 176 | -52 | 164.9 | -66.9 | -165.2 | 5 | 112.2 | Y1391 D1401 T1405 | Y1391-R1403 HydrophobicContact CD1-CG 3.96Å; D1401-R1403 PolarHBondContact O-N 3.13Å; D1401-R1403 VanDerWaalsContact OD1-CB 3.23Å; D1401-R1403 WeakPolarHBondContact OD1-CB 3.44Å; D1401-R1403 WeakPolarHBondContact OD1-CG 3.44Å; D1401-R1403 IonicContact OD1-CZ 3.86Å; D1401-R1403 PolarHBondContact OD1-N 3.49Å; D1401-R1403 IonicContact OD1-NE 2.69Å; D1401-R1403 PolarHBondContact OD1-NE 3.01Å; D1401-R1403 IonicContact OD1-NH2 2.76Å; D1401-R1403 IonicContact OD2-CZ 3.46Å; D1401-R1403 IonicContact OD2-NE 3.55Å; D1401-R1403 PolarHBondContact OD2-NE 3.01Å; D1401-R1403 IonicContact OD2-NH2 2.69Å; D1401-R1403 PolarHBondContact OD2-NH2 2.77Å; R1403-T1405 PolarHBondContact O-N 3.12Å; R1403-T1405 VanDerWaalsContact O-N 3.16Å |
| 1404 | C | 67.9 | Low | 62.6 | Low | 63 Ų | 63 | 71.4 Ų | 71.4 | 43% | 0.426 | 42% | 0.42 | S | S | . | . | trans | -87 | 39.9 | -176.3 | -72.7 | 0 | 0 | 0 | 0 | 113.7 | D1401 G1406 R1424 | D1401-C1404 HydrophobicContact CB-CB 4.18Å; D1401-C1404 PolarHBondContact O-N 3.16Å; C1404-G1406 PolarHBondContact O-N 3.2Å; C1404-R1424 HydrophobicContact CB-CB 4.12Å | ||
| 1405 | T | 52.4 | Low | 59.5 | Low | 72 Ų | 72 | 76.6 Ų | 76.6 | 44% | 0.442 | 46% | 0.457 | S | S | . | . | trans | -87.2 | 93.4 | 170.3 | 54.3 | 0 | 0 | 0 | 0 | 109.5 | R1403 | R1403-T1405 PolarHBondContact O-N 3.12Å; R1403-T1405 VanDerWaalsContact O-N 3.16Å | ||
| 1406 | G | 45.2 | Very low | 56.7 | Low | 71 Ų | 71 | 83.4 Ų | 83.4 | 73% | 0.732 | 49% | 0.492 | S | S | * | . | trans | -158.2 | 126.2 | -170.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | C1404 | C1404-G1406 PolarHBondContact O-N 3.2Š| ||
| 1407 | L | 33 | Very low | 53.8 | Low | 172 Ų | 172 | 92.5 Ų | 92.5 | 90% | 0.901 | 53% | 0.534 | S | S | * | . | trans | -58.2 | 134.8 | 168 | -62 | 145.6 | 0 | 0 | 0 | 111.4 | ||||
| 1408 | L | 35.2 | Very low | 51.1 | Low | 165 Ų | 165 | 98.7 Ų | 98.7 | 86% | 0.864 | 56% | 0.559 | S | S | * | * | trans | 174.4 | 107.2 | 134.7 | -97 | 162.3 | 0 | 0 | 0 | 114.9 | ||||
| 1409 | S | 28 | Very low | 48.2 | Very low | 107 Ų | 107 | 104.2 Ų | 104.2 | 75% | 0.748 | 60% | 0.595 | S | S | * | * | trans | 29.1 | 101.9 | 135.4 | 178.3 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 1410 | T | 33.2 | Very low | 45.6 | Very low | 140 Ų | 140 | 106.9 Ų | 106.9 | 86% | 0.859 | 62% | 0.623 | S | S | * | * | trans | -133.8 | 125.3 | 134.6 | 51.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1411 | S | 28.7 | Very low | 43.4 | Very low | 104 Ų | 104 | 110.5 Ų | 110.5 | 73% | 0.727 | 65% | 0.645 | S | S | * | * | trans | -84.7 | 118.8 | -171 | 54.6 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1412 | F | 33.2 | Very low | 41.6 | Very low | 211 Ų | 211 | 114.3 Ų | 114.3 | 93% | 0.925 | 67% | 0.674 | S | S | * | * | trans | -154.3 | 114.8 | 144.6 | -95.7 | -66.2 | 0 | 0 | 0 | 111.9 | ||||
| 1413 | S | 31.5 | Very low | 40.5 | Very low | 106 Ų | 106 | 113.7 Ų | 113.7 | 74% | 0.741 | 67% | 0.67 | S | S | * | * | trans | 47.7 | 120.7 | 161.7 | -146.2 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 1414 | S | 28.8 | Very low | 39.8 | Very low | 95 Ų | 95 | 115.5 Ų | 115.5 | 66% | 0.664 | 68% | 0.677 | S | S | * | * | trans | 65.4 | 108.6 | 139.7 | 47.9 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 1415 | S | 29 | Very low | 40.5 | Very low | 109 Ų | 109 | 113.8 Ų | 113.8 | 76% | 0.762 | 67% | 0.665 | S | S | * | * | trans | 61 | 83.2 | 137.7 | 60.2 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 1416 | L | 34.6 | Very low | 42.2 | Very low | 144 Ų | 144 | 113.7 Ų | 113.7 | 75% | 0.754 | 66% | 0.661 | S | S | * | * | -167.5 | 145.5 | 111.6 | -98.3 | 158 | 0 | 0 | 0 | 108.7 | Y1418 | L1416-Y1418 HydrophobicContact CB-CE2 4.33Å; L1416-Y1418 HydrophobicContact CD1-CE2 4.49Å; L1416-Y1418 HydrophobicContact CD2-CE2 3.98Å; L1416-Y1418 HydrophobicContact CG-CE2 4.5Å | |||
| 1417 | Q | 27.9 | Very low | 44.2 | Very low | 194 Ų | 194 | 112.3 Ų | 112.3 | 91% | 0.907 | 64% | 0.636 | S | S | * | * | trans | -121.6 | 103.3 | 179.8 | -79.2 | -171.7 | -44.2 | 0 | 0 | 110.4 | ||||
| 1418 | Y | 31.6 | Very low | 46.8 | Very low | 131 Ų | 131 | 105.8 Ų | 105.8 | 51% | 0.514 | 60% | 0.6 | S | S | . | * | trans | -111.1 | 129.8 | 168.4 | -71.7 | -83.5 | 0 | 0 | 0 | 109.8 | L1416 G1420 | L1416-Y1418 HydrophobicContact CB-CE2 4.33Å; L1416-Y1418 HydrophobicContact CD1-CE2 4.49Å; L1416-Y1418 HydrophobicContact CD2-CE2 3.98Å; L1416-Y1418 HydrophobicContact CG-CE2 4.5Å; Y1418-G1420 PolarHBondContact O-N 2.96Å | ||
| 1419 | P | 29.3 | Very low | 49.4 | Very low | 118 Ų | 118 | 98 Ų | 98 | 77% | 0.766 | 56% | 0.559 | S | S | * | * | trans | -84.5 | 42.6 | -175.6 | 35.7 | -36.3 | 0 | 0 | 0 | 113.6 | ||||
| 1420 | G | 38.4 | Very low | 52.2 | Low | 57 Ų | 57 | 93.7 Ų | 93.7 | 59% | 0.588 | 53% | 0.528 | S | S | * | . | trans | -86.6 | 137.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y1418 S1422 | Y1418-G1420 PolarHBondContact O-N 2.96Å; G1420-S1422 PolarHBondContact O-N 3.23Å | ||
| 1421 | T | 45.3 | Very low | 54.6 | Low | 82 Ų | 82 | 87.7 Ų | 87.7 | 50% | 0.503 | 49% | 0.49 | S | S | . | . | trans | -77.3 | 61.4 | 176.3 | 42.2 | 0 | 0 | 0 | 0 | 112.5 | S1423 | T1421-S1423 PolarHBondContact O-N 3Š| ||
| 1422 | S | 52.2 | Low | 57.3 | Low | 99 Ų | 99 | 84.5 Ų | 84.5 | 69% | 0.692 | 46% | 0.463 | S | S | * | . | trans | -55.8 | 112.4 | 178.3 | -175.2 | 0 | 0 | 0 | 0 | 111.4 | G1420 | G1420-S1422 PolarHBondContact O-N 3.23Š| ||
| 1423 | S | 62.4 | Low | 59.7 | Low | 2 Ų | 2 | 74.9 Ų | 74.9 | 1% | 0.014 | 42% | 0.421 | C | S | . | . | P | Polyproline II helix | trans | -75.8 | 152.3 | 174.1 | 72.7 | 0 | 0 | 0 | 0 | 110.4 | D1369 L1370 W1400 T1421 P1425 | D1369-S1423 PolarHBondContact O-OG 3.04Å; L1370-S1423 WeakPolarHBondContact CD2-OG 3.48Å; W1400-S1423 VanDerWaalsContact CE3-OG 3.29Å; W1400-S1423 WeakPolarHBondContact CZ3-O 3.32Å; T1421-S1423 PolarHBondContact O-N 3Å; S1423-P1425 WeakPolarHBondContact O-CD 3.3Å |
| 1424 | R | 69 | Low | 61.9 | Low | 184 Ų | 184 | 71 Ų | 71 | 69% | 0.694 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 121.5 | -174.4 | -170.3 | 176.1 | 179 | 178.4 | 0.9 | 111.9 | C1404 I1426 | C1404-R1424 HydrophobicContact CB-CB 4.12Å; R1424-I1426 PolarHBondContact O-N 2.93Å |
| 1425 | P | 82.2 | Confident | 64.4 | Low | 26 Ų | 26 | 66.6 Ų | 66.6 | 17% | 0.169 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 123.3 | 172.7 | 27.7 | -30.3 | 0 | 0 | 0 | 110.1 | K1375 V1398 W1400 S1423 | K1375-P1425 HydrophobicContact CD-CB 3.73Å; K1375-P1425 HydrophobicContact CD-CG 3.78Å; K1375-P1425 PolarHBondContact NZ-O 2.73Å; V1398-P1425 HydrophobicContact CG1-CB 3.59Å; W1400-P1425 HydrophobicContact CD2-CB 3.99Å; W1400-P1425 HydrophobicContact CE3-CB 3.76Å; W1400-P1425 HydrophobicContact CE3-CG 4.31Å; W1400-P1425 HydrophobicContact CH2-CB 3.72Å; W1400-P1425 HydrophobicContact CH2-CG 3.9Å; W1400-P1425 HydrophobicContact CZ2-CB 3.95Å; W1400-P1425 HydrophobicContact CZ3-CB 3.64Å; W1400-P1425 VanDerWaalsContact CZ3-CD 3.49Å; W1400-P1425 HydrophobicContact CZ3-CG 3.77Å; S1423-P1425 WeakPolarHBondContact O-CD 3.3Å |
| 1426 | I | 87.1 | Confident | 67.1 | Low | 71 Ų | 71 | 61.8 Ų | 61.8 | 36% | 0.364 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | -65.2 | -178.7 | -45.7 | 178 | 0 | 0 | 0 | 109.8 | K1375 L1392 V1399 D1401 R1424 W1459 | K1375-I1426 PolarHBondContact NZ-O 3.46Å; L1392-I1426 HydrophobicContact CD2-CD1 3.74Å; V1399-I1426 HydrophobicContact CG1-CD1 4.08Å; V1399-I1426 WeakPolarHBondContact O-CA 3.32Å; V1399-I1426 WeakPolarHBondContact O-CB 3.28Å; V1399-I1426 PolarHBondContact O-N 3.21Å; D1401-I1426 HydrophobicContact CB-CD1 3.94Å; D1401-I1426 HydrophobicContact CB-CG1 4.21Å; R1424-I1426 PolarHBondContact O-N 2.93Å; I1426-W1459 HydrophobicContact CG2-CH2 4.22Å; I1426-W1459 HydrophobicContact CG2-CZ2 3.83Å |
| 1427 | H | 87.4 | Confident | 69.7 | Low | 42 Ų | 42 | 55.1 Ų | 55.1 | 19% | 0.194 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 145.6 | -167.5 | -164.1 | 81.1 | 0 | 0 | 0 | 110.7 | V1398 V1399 F1429 W1459 | V1398-H1427 CarbonylContact C-O 3.42Å; V1398-H1427 VanDerWaalsContact CA-O 3.27Å; V1398-H1427 WeakPolarHBondContact CA-O 3.36Å; V1398-H1427 WeakPolarHBondContact CG1-O 3.48Å; V1399-H1427 PolarHBondContact N-O 2.89Å; H1427-F1429 AromaticContact CD2-CD1 3.73Å; H1427-F1429 AromaticContact CD2-CE1 3.81Å; H1427-F1429 AromaticContact NE2-CD1 3.94Å; H1427-W1459 HydrophobicContact CB-CD2 3.9Å; H1427-W1459 HydrophobicContact CB-CE3 3.61Å; H1427-W1459 HydrophobicContact CB-CH2 3.91Å; H1427-W1459 HydrophobicContact CB-CZ2 4.18Å; H1427-W1459 HydrophobicContact CB-CZ3 3.62Å; H1427-W1459 AromaticContact CD2-CD2 3.95Å; H1427-W1459 AromaticContact CD2-CE3 3.51Å; H1427-W1459 VanDerWaalsContact CE1-CB 3.48Å; H1427-W1459 WeakPolarHBondContact CE1-CB 3.45Å; H1427-W1459 AromaticContact CE1-CG 3.72Å; H1427-W1459 AromaticContact CG-CD2 3.58Å; H1427-W1459 AromaticContact CG-CE3 3.44Å; H1427-W1459 VanDerWaalsContact CG-CE3 3.44Å; H1427-W1459 AromaticContact CG-CG 3.98Å; H1427-W1459 AromaticContact CG-CZ3 3.99Å; H1427-W1459 AromaticContact ND1-CD2 3.71Å; H1427-W1459 AromaticContact ND1-CG 3.63Å |
| 1428 | K | 87.7 | Confident | 72.7 | Confident | 35 Ų | 35 | 46.4 Ų | 46.4 | 15% | 0.152 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 123.3 | 167.4 | 178.7 | -168.6 | -173.2 | 173.8 | 0 | 105.8 | R864 H866 K1375 Q1376 S1377 V1398 | R864-K1428 PolarHBondContact O-NZ 2.78Å; H866-K1428 WeakPolarHBondContact CE1-CE 3.45Å; H866-K1428 PolarHBondContact CE1-NZ 3.46Å; H866-K1428 PolarHBondContact NE2-NZ 3.06Å; K1375-K1428 WeakPolarHBondContact O-CD 3.33Å; K1375-K1428 WeakPolarHBondContact O-CE 3.5Å; K1375-K1428 WeakPolarHBondContact O-CG 3.21Å; Q1376-K1428 VanDerWaalsContact O-CE 3.27Å; Q1376-K1428 WeakPolarHBondContact O-CE 3.42Å; Q1376-K1428 PolarHBondContact O-NZ 2.82Å; S1377-K1428 VanDerWaalsContact OG-CE 3.31Å; S1377-K1428 WeakPolarHBondContact OG-CE 3.21Å; V1398-K1428 HydrophobicContact CG2-CB 4.25Å; V1398-K1428 HydrophobicContact CG2-CG 4.21Å |
| 1429 | F | 89.9 | Confident | 75.7 | Confident | 2 Ų | 2 | 41.5 Ų | 41.5 | 1% | 0.009 | 24% | 0.238 | C | C | . | . | P | Polyproline II helix | trans | -75.7 | 158.3 | 175.7 | -71.4 | -70.2 | 0 | 0 | 0 | 111.8 | G1397 V1399 H1427 K1431 I1447 I1449 W1454 W1459 | G1397-F1429 WeakPolarHBondContact O-CD2 3.32Å; G1397-F1429 PolarHBondContact O-N 3.14Å; V1399-F1429 HydrophobicContact CG2-CD2 4.46Å; V1399-F1429 HydrophobicContact CG2-CE2 3.65Å; V1399-F1429 HydrophobicContact CG2-CZ 4.38Å; H1427-F1429 AromaticContact CD2-CD1 3.73Å; H1427-F1429 AromaticContact CD2-CE1 3.81Å; H1427-F1429 AromaticContact NE2-CD1 3.94Å; F1429-K1431 PolarHBondContact O-N 2.74Å; F1429-I1447 HydrophobicContact CE2-CB 4.44Å; F1429-I1447 HydrophobicContact CE2-CD1 3.69Å; F1429-I1447 HydrophobicContact CE2-CG2 4.12Å; F1429-I1447 HydrophobicContact CZ-CB 4.44Å; F1429-I1447 HydrophobicContact CZ-CD1 3.89Å; F1429-I1449 HydrophobicContact CB-CD1 3.75Å; F1429-I1449 HydrophobicContact CD2-CD1 3.5Å; F1429-I1449 HydrophobicContact CE2-CD1 4.29Å; F1429-I1449 HydrophobicContact CG-CD1 3.78Å; F1429-W1454 HydrophobicContact CB-CZ2 4.36Å; F1429-W1454 HydrophobicContact CD1-CB 4.09Å; F1429-W1454 AromaticContact CD1-CD2 3.4Å; F1429-W1454 HydrophobicContact CD1-CD2 3.4Å; F1429-W1454 VanDerWaalsContact CD1-CD2 3.4Å; F1429-W1454 AromaticContact CD1-CE2 3.77Å; F1429-W1454 AromaticContact CD1-CE3 3.66Å; F1429-W1454 HydrophobicContact CD1-CE3 3.66Å; F1429-W1454 AromaticContact CD1-CG 3.61Å; F1429-W1454 HydrophobicContact CD1-CG 3.61Å; F1429-W1454 HydrophobicContact CD1-CZ2 4.32Å; F1429-W1454 HydrophobicContact CD1-CZ3 4.24Å; F1429-W1454 HydrophobicContact CE1-CB 3.48Å; F1429-W1454 VanDerWaalsContact CE1-CB 3.48Å; F1429-W1454 AromaticContact CE1-CD2 3.72Å; F1429-W1454 HydrophobicContact CE1-CD2 3.72Å; F1429-W1454 AromaticContact CE1-CE3 3.93Å; F1429-W1454 HydrophobicContact CE1-CE3 3.93Å; F1429-W1454 AromaticContact CE1-CG 3.54Å; F1429-W1454 HydrophobicContact CE1-CG 3.54Å; F1429-W1454 HydrophobicContact CG-CD2 4.31Å; F1429-W1454 HydrophobicContact CG-CG 4.39Å; F1429-W1454 HydrophobicContact CZ-CB 3.95Å; F1429-W1454 HydrophobicContact CZ-CG 4.26Å; F1429-W1459 AromaticContact CE1-CE3 3.76Å; F1429-W1459 HydrophobicContact CE1-CE3 3.76Å; F1429-W1459 HydrophobicContact CE1-CZ3 4.36Å; F1429-W1459 HydrophobicContact CE2-CE3 4.48Å; F1429-W1459 HydrophobicContact CE2-CZ3 4.31Å; F1429-W1459 AromaticContact CZ-CE3 3.56Å; F1429-W1459 HydrophobicContact CZ-CE3 3.56Å; F1429-W1459 AromaticContact CZ-CZ3 3.7Å; F1429-W1459 HydrophobicContact CZ-CZ3 3.7Å |
| 1430 | D | 86.4 | Confident | 78.8 | Confident | 15 Ų | 15 | 36.4 Ų | 36.4 | 8% | 0.08 | 20% | 0.204 | C | C | . | . | P | Polyproline II helix | trans | -73.7 | 127.9 | 172.2 | -59.8 | -72.9 | 0 | 0 | 0 | 110.1 | R863 M907 F1432 W1454 | R863-D1430 WeakPolarHBondContact CD-OD1 3.4Å; R863-D1430 WeakPolarHBondContact CG-OD1 3.47Å; R863-D1430 IonicContact CZ-OD1 3.49Å; R863-D1430 IonicContact CZ-OD2 2.62Å; R863-D1430 VanDerWaalsContact CZ-OD2 3.29Å; R863-D1430 VanDerWaalsContact NE-CG 3.31Å; R863-D1430 IonicContact NE-OD1 3.38Å; R863-D1430 PolarHBondContact NE-OD1 3.16Å; R863-D1430 IonicContact NE-OD2 2.73Å; R863-D1430 PolarHBondContact NE-OD2 3.18Å; R863-D1430 VanDerWaalsContact NE-OD2 3.1Å; R863-D1430 IonicContact NH2-OD1 3.13Å; R863-D1430 IonicContact NH2-OD2 3.54Å; R863-D1430 PolarHBondContact NH2-OD2 3.16Å; M907-D1430 WeakPolarHBondContact CE-OD2 3.44Å; D1430-F1432 HydrophobicContact CB-CE1 4.43Å; D1430-F1432 HydrophobicContact CB-CZ 4.18Å; D1430-W1454 HydrophobicContact CB-CH2 3.99Å; D1430-W1454 HydrophobicContact CB-CZ2 4.31Å |
| 1431 | K | 85 | Confident | 81.5 | Confident | 14 Ų | 14 | 34.2 Ų | 34.2 | 6% | 0.061 | 18% | 0.178 | C | C | . | . | P | Polyproline II helix | trans | -76.5 | 128.5 | 176.3 | -162.9 | 175.8 | -172.2 | -174.2 | 0 | 109.3 | H866 M869 S1377 G1378 Y1379 F1429 Q1433 | H866-K1431 WeakPolarHBondContact ND1-CB 3.49Å; M869-K1431 HydrophobicContact CE-CD 4.1Å; M869-K1431 HydrophobicContact SD-CB 4.3Å; M869-K1431 HydrophobicContact SD-CD 3.77Å; M869-K1431 HydrophobicContact SD-CG 3.67Å; S1377-K1431 WeakPolarHBondContact O-CD 3.48Å; S1377-K1431 WeakPolarHBondContact O-CE 3.33Å; S1377-K1431 PolarHBondContact O-NZ 2.93Å; G1378-K1431 PolarHBondContact O-NZ 3.37Å; Y1379-K1431 HydrophobicContact CE1-CD 4.47Å; Y1379-K1431 HydrophobicContact CE1-CG 3.98Å; F1429-K1431 PolarHBondContact O-N 2.74Å; K1431-Q1433 WeakPolarHBondContact CE-O 3.24Å; K1431-Q1433 WeakPolarHBondContact CG-O 3.5Å |
| 1432 | F | 84.8 | Confident | 83.7 | Confident | 38 Ų | 38 | 31.9 Ų | 31.9 | 17% | 0.167 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -119 | -19.5 | 173.7 | -60.8 | -57.4 | 0 | 0 | 0 | 113 | I868 L872 M907 D1430 A1452 W1454 L1461 | I868-F1432 HydrophobicContact CG2-CD1 4.43Å; I868-F1432 HydrophobicContact CG2-CE1 4.05Å; L872-F1432 HydrophobicContact CD1-CD1 4.2Å; M907-F1432 HydrophobicContact CB-CZ 4.46Å; M907-F1432 HydrophobicContact SD-CZ 4.36Å; D1430-F1432 HydrophobicContact CB-CE1 4.43Å; D1430-F1432 HydrophobicContact CB-CZ 4.18Å; F1432-A1452 HydrophobicContact CD2-CB 3.88Å; F1432-A1452 HydrophobicContact CE2-CB 4.19Å; F1432-W1454 HydrophobicContact CD2-CZ2 4.32Å; F1432-W1454 AromaticContact CE2-CH2 3.98Å; F1432-W1454 HydrophobicContact CE2-CH2 3.98Å; F1432-W1454 AromaticContact CE2-CZ2 3.54Å; F1432-W1454 HydrophobicContact CE2-CZ2 3.54Å; F1432-W1454 HydrophobicContact CZ-CH2 4.25Å; F1432-W1454 HydrophobicContact CZ-CZ2 4.24Å; F1432-L1461 HydrophobicContact CE2-CD1 4.46Å; F1432-L1461 HydrophobicContact CE2-CD2 4.34Å |
| 1433 | Q | 83.5 | Confident | 85.5 | Confident | 9 Ų | 9 | 30.5 Ų | 30.5 | 4% | 0.042 | 15% | 0.149 | C | C | . | . | trans | -144.1 | 169.9 | 171.8 | 60.2 | 78.1 | 46.8 | 0 | 0 | 107.4 | Y1379 K1431 V1436 R1470 | Y1379-Q1433 WeakPolarHBondContact CE1-O 3.41Å; K1431-Q1433 WeakPolarHBondContact CE-O 3.24Å; K1431-Q1433 WeakPolarHBondContact CG-O 3.5Å; Q1433-V1436 PolarHBondContact NE2-O 2.87Å; Q1433-V1436 VanDerWaalsContact OE1-N 3.12Å; Q1433-R1470 HydrophobicContact CB-CG 4.37Å | ||
| 1434 | D | 77.3 | Confident | 86.8 | Confident | 24 Ų | 24 | 31.9 Ų | 31.9 | 13% | 0.128 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -126.8 | -2 | -165.8 | 56.3 | -31.8 | 0 | 0 | 0 | 116.3 | R702 M869 Y1379 I1380 | R702-D1434 IonicContact CZ-OD2 3.86Å; R702-D1434 VanDerWaalsContact CZ-OD2 3.32Å; R702-D1434 IonicContact NH1-OD2 2.73Å; R702-D1434 PolarHBondContact NH1-OD2 3.03Å; R702-D1434 VanDerWaalsContact NH1-OD2 3.08Å; R702-D1434 VanDerWaalsContact NH2-CG 3.26Å; R702-D1434 IonicContact NH2-OD1 2.71Å; R702-D1434 IonicContact NH2-OD2 3.86Å; R702-D1434 PolarHBondContact NH2-OD2 2.72Å; M869-D1434 HydrophobicContact SD-CB 4.49Å; Y1379-D1434 VanDerWaalsContact CA-O 3.32Å; Y1379-D1434 WeakPolarHBondContact CA-O 3.4Å; I1380-D1434 PolarHBondContact N-O 3.42Å |
| 1435 | I | 81.7 | Confident | 87.9 | Confident | 2 Ų | 2 | 27.3 Ų | 27.3 | 1% | 0.01 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -81.5 | -63.9 | -179.5 | -58.1 | -179.1 | 0 | 0 | 0 | 110 | I1380 L1381 R1470 L1497 L1502 | I1380-I1435 PolarHBondContact N-O 2.72Å; L1381-I1435 CarbonylContact C-O 3.49Å; L1381-I1435 WeakPolarHBondContact CA-O 3.49Å; L1381-I1435 HydrophobicContact CB-CG2 4.39Å; L1381-I1435 WeakPolarHBondContact CB-O 3.15Å; L1381-I1435 HydrophobicContact CD1-CG2 3.86Å; L1381-I1435 HydrophobicContact CG-CG2 4.11Å; L1381-I1435 PolarHBondContact N-O 3.19Å; I1435-R1470 HydrophobicContact CD1-CB 4.15Å; I1435-R1470 HydrophobicContact CD1-CG 4.03Å; I1435-L1497 HydrophobicContact CD1-CD1 4.43Å; I1435-L1497 HydrophobicContact CD1-CD2 4.18Å; I1435-L1497 HydrophobicContact CG1-CD2 4.4Å; I1435-L1502 HydrophobicContact CD1-CD1 4.36Å |
| 1436 | V | 86.4 | Confident | 88.5 | Confident | 9 Ų | 9 | 28 Ų | 28 | 6% | 0.055 | 15% | 0.153 | C | C | . | . | B | Isolated β-bridge | trans | -100.1 | 132 | -169.1 | -64.3 | 0 | 0 | 0 | 0 | 114.5 | Y1379 Q1433 G1438 | Y1379-V1436 WeakPolarHBondContact CD1-O 3.36Å; Y1379-V1436 VanDerWaalsContact CE1-O 3.24Å; Y1379-V1436 WeakPolarHBondContact CE1-O 3.29Å; Q1433-V1436 PolarHBondContact NE2-O 2.87Å; Q1433-V1436 VanDerWaalsContact OE1-N 3.12Å; V1436-G1438 PolarHBondContact O-N 2.85Å |
| 1437 | S | 88.1 | Confident | 88.8 | Confident | 4 Ų | 4 | 24.6 Ų | 24.6 | 3% | 0.028 | 14% | 0.136 | C | C | . | . | trans | -68.9 | -27.1 | 177.8 | 53.9 | 0 | 0 | 0 | 0 | 115.1 | L1381 N1382 K1383 | L1381-S1437 PolarHBondContact O-N 3.49Å; N1382-S1437 WeakPolarHBondContact OD1-CB 3.23Å; K1383-S1437 PolarHBondContact N-OG 3.29Å; K1383-S1437 PolarHBondContact O-OG 3.03Å | ||
| 1438 | G | 91 | Very high | 89.1 | Confident | 10 Ų | 10 | 22.7 Ų | 22.7 | 10% | 0.103 | 13% | 0.127 | C | C | . | . | trans | 94.2 | 172.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | L1394 V1436 I1448 | L1394-G1438 WeakPolarHBondContact CD2-O 3.46Å; V1436-G1438 PolarHBondContact O-N 2.85Å; G1438-I1448 CarbonylContact C-O 3.53Å; G1438-I1448 WeakPolarHBondContact CA-O 3.39Å | ||
| 1439 | V | 94.2 | Very high | 89.3 | Confident | 28 Ų | 28 | 21.3 Ų | 21.3 | 17% | 0.17 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 157.1 | -171.8 | -61.5 | 0 | 0 | 0 | 0 | 112.8 | T1385 I1447 I1448 V1473 F1475 | T1385-V1439 HydrophobicContact CG2-CG1 4.49Å; V1439-I1447 WeakPolarHBondContact O-CA 3.43Å; V1439-I1448 HydrophobicContact CG2-CB 4.41Å; V1439-I1448 PolarHBondContact N-O 3.49Å; V1439-I1448 PolarHBondContact O-N 3.28Å; V1439-V1473 HydrophobicContact CG2-CB 3.88Å; V1439-V1473 HydrophobicContact CG2-CG1 3.81Å; V1439-F1475 HydrophobicContact CG2-CE2 4.15Å |
| 1440 | F | 95.1 | Very high | 89.2 | Confident | 12 Ų | 12 | 21.3 Ų | 21.3 | 5% | 0.053 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 138.6 | 167.7 | -68.4 | -90.6 | 0 | 0 | 0 | 110.8 | T1385 F1386 S1387 L1392 L1394 V1399 I1447 L1456 | T1385-F1440 HydrophobicContact CG2-CD2 4.18Å; F1386-F1440 WeakPolarHBondContact O-CD2 3.38Å; S1387-F1440 VanDerWaalsContact CA-CD2 3.45Å; S1387-F1440 VanDerWaalsContact N-CE2 3.32Å; L1392-F1440 HydrophobicContact CB-CE1 4.36Å; L1392-F1440 HydrophobicContact CB-CZ 3.97Å; L1394-F1440 HydrophobicContact CB-CD2 4.17Å; L1394-F1440 HydrophobicContact CB-CE2 3.5Å; L1394-F1440 HydrophobicContact CB-CZ 3.95Å; V1399-F1440 HydrophobicContact CG1-CZ 4.45Å; F1440-I1447 HydrophobicContact CD1-CD1 3.83Å; F1440-I1447 HydrophobicContact CD1-CG1 3.57Å; F1440-I1447 HydrophobicContact CE1-CD1 3.59Å; F1440-I1447 HydrophobicContact CE1-CG1 3.91Å; F1440-I1447 HydrophobicContact CG-CG1 4.26Å; F1440-I1447 HydrophobicContact CZ-CD1 4.28Å; F1440-L1456 HydrophobicContact CE1-CD1 4.24Å |
| 1441 | H | 94.2 | Very high | 89.3 | Confident | 11 Ų | 11 | 21 Ų | 21 | 5% | 0.051 | 12% | 0.121 | C | C | . | . | trans | -74.2 | 136.4 | 167.4 | -172.9 | -83.8 | 0 | 0 | 0 | 109.8 | N1443 G1444 E1446 F1475 A1513 Y1516 | H1441-N1443 WeakPolarHBondContact ND1-CB 3.49Å; H1441-N1443 PolarHBondContact ND1-N 3.5Å; H1441-N1443 PolarHBondContact ND1-ND2 3.26Å; H1441-N1443 VanDerWaalsContact ND1-ND2 3.18Å; H1441-N1443 PolarHBondContact ND1-OD1 3.06Å; H1441-N1443 PolarHBondContact O-N 3.34Å; H1441-G1444 PolarHBondContact O-N 3.45Å; H1441-E1446 HydrophobicContact CB-CB 3.88Å; H1441-E1446 WeakPolarHBondContact CB-O 3.34Å; H1441-E1446 PolarHBondContact N-O 2.88Å; H1441-F1475 HydrophobicContact CB-CZ 4.37Å; H1441-F1475 AromaticContact CD2-CE1 3.36Å; H1441-F1475 WeakPolarHBondContact CD2-CE1 3.33Å; H1441-F1475 AromaticContact CD2-CZ 3.49Å; H1441-F1475 VanDerWaalsContact CD2-CZ 3.49Å; H1441-F1475 WeakPolarHBondContact CD2-CZ 3.46Å; H1441-F1475 AromaticContact NE2-CE1 3.58Å; H1441-A1513 PolarHBondContact NE2-O 3.03Å; H1441-Y1516 PolarHBondContact CD2-OH 3.34Å; H1441-Y1516 VanDerWaalsContact CD2-OH 3.31Å | ||
| 1442 | P | 92 | Very high | 89.6 | Confident | 32 Ų | 32 | 20.4 Ų | 20.4 | 21% | 0.208 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -17.7 | -176 | -29.9 | 35.7 | 0 | 0 | 0 | 116.3 | G1444 F1475 Y1479 | P1442-G1444 PolarHBondContact O-N 2.92Å; P1442-F1475 VanDerWaalsContact CD-CE1 3.46Å; P1442-F1475 VanDerWaalsContact CD-CZ 3.42Å; P1442-F1475 HydrophobicContact CG-CB 4.19Å; P1442-F1475 HydrophobicContact CG-CD1 3.82Å; P1442-F1475 HydrophobicContact CG-CD2 3.9Å; P1442-F1475 HydrophobicContact CG-CE1 4.15Å; P1442-F1475 HydrophobicContact CG-CE2 4.24Å; P1442-F1475 HydrophobicContact CG-CG 3.69Å; P1442-F1475 HydrophobicContact CG-CZ 4.36Å; P1442-Y1479 HydrophobicContact CB-CD1 3.62Å; P1442-Y1479 HydrophobicContact CB-CD2 4.19Å; P1442-Y1479 HydrophobicContact CB-CE1 4.29Å; P1442-Y1479 HydrophobicContact CB-CG 3.54Å; P1442-Y1479 HydrophobicContact CG-CD1 3.44Å; P1442-Y1479 VanDerWaalsContact CG-CD1 3.44Å; P1442-Y1479 HydrophobicContact CG-CE1 4.2Å; P1442-Y1479 HydrophobicContact CG-CG 3.82Å |
| 1443 | N | 90 | Very high | 90 | Very high | 70 Ų | 70 | 18.6 Ų | 18.6 | 37% | 0.374 | 11% | 0.111 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -13.2 | 172.5 | 71.6 | 6 | 0 | 0 | 0 | 114 | H1441 L1445 E1446 | H1441-N1443 WeakPolarHBondContact ND1-CB 3.49Å; H1441-N1443 PolarHBondContact ND1-N 3.5Å; H1441-N1443 PolarHBondContact ND1-ND2 3.26Å; H1441-N1443 VanDerWaalsContact ND1-ND2 3.18Å; H1441-N1443 PolarHBondContact ND1-OD1 3.06Å; H1441-N1443 PolarHBondContact O-N 3.34Å; N1443-L1445 PolarHBondContact O-N 2.63Å; N1443-L1445 PolarHBondContact OD1-N 3.34Å; N1443-E1446 PolarHBondContact OD1-N 2.84Å |
| 1444 | G | 90.4 | Very high | 90.4 | Very high | 31 Ų | 31 | 18.2 Ų | 18.2 | 32% | 0.32 | 11% | 0.109 | S | C | . | . | S | Bend | trans | 68.1 | 16.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | H1441 P1442 L1456 | H1441-G1444 PolarHBondContact O-N 3.45Å; P1442-G1444 PolarHBondContact O-N 2.92Å; G1444-L1456 WeakPolarHBondContact O-CD2 3.48Å |
| 1445 | L | 92 | Very high | 91.2 | Very high | 89 Ų | 89 | 18.2 Ų | 18.2 | 47% | 0.466 | 11% | 0.109 | S | C | . | . | S | Bend | trans | -119.3 | -20.2 | -179.3 | -62.8 | 176.6 | 0 | 0 | 0 | 112.9 | N1443 L1456 | N1443-L1445 PolarHBondContact O-N 2.63Å; N1443-L1445 PolarHBondContact OD1-N 3.34Å; L1445-L1456 VanDerWaalsContact O-CB 3.26Å; L1445-L1456 WeakPolarHBondContact O-CB 3.33Å; L1445-L1456 PolarHBondContact O-N 2.94Å |
| 1446 | E | 94.1 | Very high | 91.7 | Very high | 40 Ų | 40 | 19.5 Ų | 19.5 | 19% | 0.187 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 152.8 | -172 | -59.4 | 177.6 | 175 | 0 | 0 | 111.6 | H1441 N1443 V1453 W1454 L1462 Y1516 | H1441-E1446 HydrophobicContact CB-CB 3.88Å; H1441-E1446 WeakPolarHBondContact CB-O 3.34Å; H1441-E1446 PolarHBondContact N-O 2.88Å; N1443-E1446 PolarHBondContact OD1-N 2.84Å; E1446-V1453 HydrophobicContact CB-CG1 4.05Å; E1446-V1453 HydrophobicContact CG-CG1 4.46Å; E1446-W1454 CarbonylContact C-O 3.59Å; E1446-W1454 VanDerWaalsContact CA-O 3.25Å; E1446-W1454 WeakPolarHBondContact CA-O 3.48Å; E1446-L1462 HydrophobicContact CG-CD1 3.8Å; E1446-L1462 WeakPolarHBondContact OE1-CD1 3.18Å; E1446-Y1516 PolarHBondContact OE2-OH 3.23Å |
| 1447 | I | 94.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 137 | 172.9 | -70.9 | 176.2 | 0 | 0 | 0 | 108.2 | L1394 V1399 F1429 V1439 F1440 I1449 V1453 W1454 L1456 | L1394-I1447 HydrophobicContact CD2-CG2 3.75Å; V1399-I1447 HydrophobicContact CG2-CD1 3.69Å; F1429-I1447 HydrophobicContact CE2-CB 4.44Å; F1429-I1447 HydrophobicContact CE2-CD1 3.69Å; F1429-I1447 HydrophobicContact CE2-CG2 4.12Å; F1429-I1447 HydrophobicContact CZ-CB 4.44Å; F1429-I1447 HydrophobicContact CZ-CD1 3.89Å; V1439-I1447 WeakPolarHBondContact O-CA 3.43Å; F1440-I1447 HydrophobicContact CD1-CD1 3.83Å; F1440-I1447 HydrophobicContact CD1-CG1 3.57Å; F1440-I1447 HydrophobicContact CE1-CD1 3.59Å; F1440-I1447 HydrophobicContact CE1-CG1 3.91Å; F1440-I1447 HydrophobicContact CG-CG1 4.26Å; F1440-I1447 HydrophobicContact CZ-CD1 4.28Å; I1447-I1449 HydrophobicContact CG2-CD1 4.16Å; I1447-I1449 HydrophobicContact CG2-CG1 3.82Å; I1447-V1453 CarbonylContact O-C 3.55Å; I1447-V1453 WeakPolarHBondContact O-CA 3.34Å; I1447-W1454 PolarHBondContact N-O 2.97Å; I1447-W1454 PolarHBondContact O-N 2.66Å; I1447-L1456 HydrophobicContact CD1-CD1 3.8Å; I1447-L1456 HydrophobicContact CG1-CD1 4.47Å |
| 1448 | I | 94.1 | Very high | 91.9 | Very high | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 120 | 179.6 | -49.8 | -176.3 | 0 | 0 | 0 | 108.8 | G1438 V1439 G1450 V1453 L1468 V1473 F1475 I1482 Y1516 | G1438-I1448 CarbonylContact C-O 3.53Å; G1438-I1448 WeakPolarHBondContact CA-O 3.39Å; V1439-I1448 HydrophobicContact CG2-CB 4.41Å; V1439-I1448 PolarHBondContact N-O 3.49Å; V1439-I1448 PolarHBondContact O-N 3.28Å; I1448-G1450 WeakPolarHBondContact CG2-O 3.46Å; I1448-V1453 HydrophobicContact CG1-CG2 4.16Å; I1448-V1453 HydrophobicContact CG2-CG2 4.4Å; I1448-L1468 HydrophobicContact CG2-CD1 4.3Å; I1448-V1473 HydrophobicContact CD1-CG1 4.43Å; I1448-V1473 HydrophobicContact CG2-CG2 4.4Å; I1448-F1475 HydrophobicContact CD1-CZ 3.95Å; I1448-I1482 HydrophobicContact CD1-CD1 3.76Å; I1448-Y1516 HydrophobicContact CD1-CE1 3.79Å |
| 1449 | I | 91.6 | Very high | 91.8 | Very high | 7 Ų | 7 | 34 Ų | 34 | 4% | 0.036 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 96 | 177.8 | -52.4 | -176.8 | 0 | 0 | 0 | 108.1 | Y1379 F1429 I1447 S1451 A1452 | Y1379-I1449 HydrophobicContact CE1-CG2 4.22Å; F1429-I1449 HydrophobicContact CB-CD1 3.75Å; F1429-I1449 HydrophobicContact CD2-CD1 3.5Å; F1429-I1449 HydrophobicContact CE2-CD1 4.29Å; F1429-I1449 HydrophobicContact CG-CD1 3.78Å; I1447-I1449 HydrophobicContact CG2-CD1 4.16Å; I1447-I1449 HydrophobicContact CG2-CG1 3.82Å; I1449-S1451 PolarHBondContact O-N 3.19Å; I1449-A1452 PolarHBondContact N-O 3.04Å; I1449-A1452 PolarHBondContact O-N 3.3Å |
| 1450 | G | 86.8 | Confident | 91.5 | Very high | 2 Ų | 2 | 39.5 Ų | 39.5 | 2% | 0.021 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.1 | -123.8 | -166.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | I1448 A1452 L1468 | I1448-G1450 WeakPolarHBondContact CG2-O 3.46Å; G1450-A1452 VanDerWaalsContact C-N 3.28Å; G1450-A1452 PolarHBondContact O-N 3.3Å; G1450-L1468 CarbonylContact C-O 3.33Å; G1450-L1468 VanDerWaalsContact CA-O 3.31Å; G1450-L1468 WeakPolarHBondContact CA-O 3.3Å |
| 1451 | S | 88 | Confident | 91.3 | Very high | 7 Ų | 7 | 39 Ų | 39 | 5% | 0.049 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -9.3 | 176.7 | 61.8 | 0 | 0 | 0 | 0 | 115.4 | I1449 T1464 I1465 L1468 D1469 | I1449-S1451 PolarHBondContact O-N 3.19Å; S1451-T1464 CarbonylContact O-C 3.54Å; S1451-T1464 WeakPolarHBondContact O-CA 3.38Å; S1451-I1465 WeakPolarHBondContact CA-O 3.28Å; S1451-I1465 WeakPolarHBondContact CB-O 3.37Å; S1451-I1465 PolarHBondContact O-N 3.39Å; S1451-L1468 PolarHBondContact N-O 3.23Å; S1451-D1469 WeakPolarHBondContact CB-OD1 3.26Å; S1451-D1469 PolarHBondContact OG-OD1 2.85Å |
| 1452 | A | 91.3 | Very high | 91 | Very high | 2 Ų | 2 | 40.7 Ų | 40.7 | 2% | 0.017 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 117.7 | -171.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | F1432 I1449 G1450 L1461 | F1432-A1452 HydrophobicContact CD2-CB 3.88Å; F1432-A1452 HydrophobicContact CE2-CB 4.19Å; I1449-A1452 PolarHBondContact N-O 3.04Å; I1449-A1452 PolarHBondContact O-N 3.3Å; G1450-A1452 VanDerWaalsContact C-N 3.28Å; G1450-A1452 PolarHBondContact O-N 3.3Å; A1452-L1461 HydrophobicContact CB-CD1 3.69Å |
| 1453 | V | 93.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 126.7 | 173.1 | -174.1 | 0 | 0 | 0 | 0 | 111.1 | E1446 I1447 I1448 L1461 L1462 H1463 I1465 Y1516 | E1446-V1453 HydrophobicContact CB-CG1 4.05Å; E1446-V1453 HydrophobicContact CG-CG1 4.46Å; I1447-V1453 CarbonylContact O-C 3.55Å; I1447-V1453 WeakPolarHBondContact O-CA 3.34Å; I1448-V1453 HydrophobicContact CG1-CG2 4.16Å; I1448-V1453 HydrophobicContact CG2-CG2 4.4Å; V1453-L1461 CarbonylContact O-C 3.5Å; V1453-L1462 PolarHBondContact O-N 3.46Å; V1453-H1463 HydrophobicContact CB-CB 4.35Å; V1453-H1463 PolarHBondContact N-O 2.99Å; V1453-H1463 PolarHBondContact O-N 3.01Å; V1453-I1465 HydrophobicContact CG2-CD1 3.26Å; V1453-I1465 HydrophobicContact CG2-CG1 4Å; V1453-Y1516 HydrophobicContact CG1-CE2 4.19Å; V1453-Y1516 HydrophobicContact CG2-CE1 4.39Å; V1453-Y1516 HydrophobicContact CG2-CE2 4.28Å |
| 1454 | W | 93.6 | Very high | 90.6 | Very high | 1 Ų | 1 | 42.2 Ų | 42.2 | 0% | 0.004 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 140.7 | -175.7 | -57.6 | 88.1 | 0 | 0 | 0 | 112.2 | M907 F1429 D1430 F1432 E1446 I1447 L1461 | M907-W1454 HydrophobicContact SD-CH2 3.62Å; M907-W1454 HydrophobicContact SD-CZ3 3.82Å; F1429-W1454 HydrophobicContact CB-CZ2 4.36Å; F1429-W1454 HydrophobicContact CD1-CB 4.09Å; F1429-W1454 AromaticContact CD1-CD2 3.4Å; F1429-W1454 HydrophobicContact CD1-CD2 3.4Å; F1429-W1454 VanDerWaalsContact CD1-CD2 3.4Å; F1429-W1454 AromaticContact CD1-CE2 3.77Å; F1429-W1454 AromaticContact CD1-CE3 3.66Å; F1429-W1454 HydrophobicContact CD1-CE3 3.66Å; F1429-W1454 AromaticContact CD1-CG 3.61Å; F1429-W1454 HydrophobicContact CD1-CG 3.61Å; F1429-W1454 HydrophobicContact CD1-CZ2 4.32Å; F1429-W1454 HydrophobicContact CD1-CZ3 4.24Å; F1429-W1454 HydrophobicContact CE1-CB 3.48Å; F1429-W1454 VanDerWaalsContact CE1-CB 3.48Å; F1429-W1454 AromaticContact CE1-CD2 3.72Å; F1429-W1454 HydrophobicContact CE1-CD2 3.72Å; F1429-W1454 AromaticContact CE1-CE3 3.93Å; F1429-W1454 HydrophobicContact CE1-CE3 3.93Å; F1429-W1454 AromaticContact CE1-CG 3.54Å; F1429-W1454 HydrophobicContact CE1-CG 3.54Å; F1429-W1454 HydrophobicContact CG-CD2 4.31Å; F1429-W1454 HydrophobicContact CG-CG 4.39Å; F1429-W1454 HydrophobicContact CZ-CB 3.95Å; F1429-W1454 HydrophobicContact CZ-CG 4.26Å; D1430-W1454 HydrophobicContact CB-CH2 3.99Å; D1430-W1454 HydrophobicContact CB-CZ2 4.31Å; F1432-W1454 HydrophobicContact CD2-CZ2 4.32Å; F1432-W1454 AromaticContact CE2-CH2 3.98Å; F1432-W1454 HydrophobicContact CE2-CH2 3.98Å; F1432-W1454 AromaticContact CE2-CZ2 3.54Å; F1432-W1454 HydrophobicContact CE2-CZ2 3.54Å; F1432-W1454 HydrophobicContact CZ-CH2 4.25Å; F1432-W1454 HydrophobicContact CZ-CZ2 4.24Å; E1446-W1454 CarbonylContact C-O 3.59Å; E1446-W1454 VanDerWaalsContact CA-O 3.25Å; E1446-W1454 WeakPolarHBondContact CA-O 3.48Å; I1447-W1454 PolarHBondContact N-O 2.97Å; I1447-W1454 PolarHBondContact O-N 2.66Å; W1454-L1461 HydrophobicContact CD2-CB 4.43Å; W1454-L1461 HydrophobicContact CD2-CD1 4.22Å; W1454-L1461 HydrophobicContact CE3-CB 3.99Å; W1454-L1461 VanDerWaalsContact CE3-N 3.27Å; W1454-L1461 HydrophobicContact CH2-CB 4.35Å; W1454-L1461 HydrophobicContact CZ2-CD1 4.29Å; W1454-L1461 HydrophobicContact CZ3-CB 3.94Å |
| 1455 | D | 93.5 | Very high | 90.4 | Very high | 25 Ų | 25 | 41.1 Ų | 41.1 | 13% | 0.134 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 120.6 | 169.3 | 168.4 | 27 | 0 | 0 | 0 | 111 | R1457 T1458 W1459 R1460 L1462 | D1455-R1457 PolarHBondContact O-N 3.36Å; D1455-R1457 WeakPolarHBondContact OD1-CB 3.28Å; D1455-R1457 PolarHBondContact OD1-N 3.48Å; D1455-T1458 WeakPolarHBondContact OD2-CB 3.37Å; D1455-T1458 VanDerWaalsContact OD2-CG2 3.27Å; D1455-T1458 WeakPolarHBondContact OD2-CG2 3.47Å; D1455-T1458 PolarHBondContact OD2-N 2.88Å; D1455-T1458 PolarHBondContact OD2-OG1 3.19Å; D1455-W1459 VanDerWaalsContact O-CA 3.24Å; D1455-W1459 WeakPolarHBondContact O-CA 3.48Å; D1455-W1459 PolarHBondContact O-N 3.13Å; D1455-R1460 PolarHBondContact N-O 3.15Å; D1455-L1462 HydrophobicContact CB-CD1 3.94Å; D1455-L1462 HydrophobicContact CB-CD2 3.98Å; D1455-L1462 HydrophobicContact CB-CG 3.88Å |
| 1456 | L | 91.6 | Very high | 90.1 | Very high | 28 Ų | 28 | 39.6 Ų | 39.6 | 15% | 0.147 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -22 | 177.6 | -173.7 | 64.3 | 0 | 0 | 0 | 113.1 | L1392 F1440 G1444 L1445 I1447 W1459 | L1392-L1456 HydrophobicContact CD1-CD1 4.09Å; L1392-L1456 HydrophobicContact CD1-CD2 4.13Å; F1440-L1456 HydrophobicContact CE1-CD1 4.24Å; G1444-L1456 WeakPolarHBondContact O-CD2 3.48Å; L1445-L1456 VanDerWaalsContact O-CB 3.26Å; L1445-L1456 WeakPolarHBondContact O-CB 3.33Å; L1445-L1456 PolarHBondContact O-N 2.94Å; I1447-L1456 HydrophobicContact CD1-CD1 3.8Å; I1447-L1456 HydrophobicContact CG1-CD1 4.47Å; L1456-W1459 HydrophobicContact CD1-CH2 3.86Å; L1456-W1459 HydrophobicContact CD1-CZ3 3.98Å |
| 1457 | R | 89.9 | Confident | 89.6 | Confident | 190 Ų | 190 | 39.4 Ų | 39.4 | 72% | 0.717 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | -38.8 | -177.4 | -64.8 | 174.7 | 46.8 | 68.5 | 7.7 | 114 | D1455 | D1455-R1457 PolarHBondContact O-N 3.36Å; D1455-R1457 WeakPolarHBondContact OD1-CB 3.28Å; D1455-R1457 PolarHBondContact OD1-N 3.48Å |
| 1458 | T | 88.8 | Confident | 89.3 | Confident | 74 Ų | 74 | 39.4 Ų | 39.4 | 45% | 0.454 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.9 | -6.3 | -178.7 | 67.3 | 0 | 0 | 0 | 0 | 114.4 | D1455 R1460 | D1455-T1458 WeakPolarHBondContact OD2-CB 3.37Å; D1455-T1458 VanDerWaalsContact OD2-CG2 3.27Å; D1455-T1458 WeakPolarHBondContact OD2-CG2 3.47Å; D1455-T1458 PolarHBondContact OD2-N 2.88Å; D1455-T1458 PolarHBondContact OD2-OG1 3.19Å; T1458-R1460 PolarHBondContact O-N 3.02Å; T1458-R1460 WeakPolarHBondContact OG1-CB 3.47Å; T1458-R1460 WeakPolarHBondContact OG1-CG 3.14Å |
| 1459 | W | 88.9 | Confident | 88.8 | Confident | 65 Ų | 65 | 41.8 Ų | 41.8 | 25% | 0.246 | 20% | 0.195 | C | C | . | . | trans | 57.3 | 27 | -175.6 | -45.7 | 99.5 | 0 | 0 | 0 | 113.3 | V1399 I1426 H1427 F1429 D1455 L1456 | V1399-W1459 HydrophobicContact CB-CH2 4.28Å; V1399-W1459 HydrophobicContact CB-CZ3 4.28Å; V1399-W1459 HydrophobicContact CG1-CH2 4.29Å; V1399-W1459 HydrophobicContact CG2-CH2 4.44Å; V1399-W1459 HydrophobicContact CG2-CZ3 4Å; I1426-W1459 HydrophobicContact CG2-CH2 4.22Å; I1426-W1459 HydrophobicContact CG2-CZ2 3.83Å; H1427-W1459 HydrophobicContact CB-CD2 3.9Å; H1427-W1459 HydrophobicContact CB-CE3 3.61Å; H1427-W1459 HydrophobicContact CB-CH2 3.91Å; H1427-W1459 HydrophobicContact CB-CZ2 4.18Å; H1427-W1459 HydrophobicContact CB-CZ3 3.62Å; H1427-W1459 AromaticContact CD2-CD2 3.95Å; H1427-W1459 AromaticContact CD2-CE3 3.51Å; H1427-W1459 VanDerWaalsContact CE1-CB 3.48Å; H1427-W1459 WeakPolarHBondContact CE1-CB 3.45Å; H1427-W1459 AromaticContact CE1-CG 3.72Å; H1427-W1459 AromaticContact CG-CD2 3.58Å; H1427-W1459 AromaticContact CG-CE3 3.44Å; H1427-W1459 VanDerWaalsContact CG-CE3 3.44Å; H1427-W1459 AromaticContact CG-CG 3.98Å; H1427-W1459 AromaticContact CG-CZ3 3.99Å; H1427-W1459 AromaticContact ND1-CD2 3.71Å; H1427-W1459 AromaticContact ND1-CG 3.63Å; F1429-W1459 AromaticContact CE1-CE3 3.76Å; F1429-W1459 HydrophobicContact CE1-CE3 3.76Å; F1429-W1459 HydrophobicContact CE1-CZ3 4.36Å; F1429-W1459 HydrophobicContact CE2-CE3 4.48Å; F1429-W1459 HydrophobicContact CE2-CZ3 4.31Å; F1429-W1459 AromaticContact CZ-CE3 3.56Å; F1429-W1459 HydrophobicContact CZ-CE3 3.56Å; F1429-W1459 AromaticContact CZ-CZ3 3.7Å; F1429-W1459 HydrophobicContact CZ-CZ3 3.7Å; D1455-W1459 VanDerWaalsContact O-CA 3.24Å; D1455-W1459 WeakPolarHBondContact O-CA 3.48Å; D1455-W1459 PolarHBondContact O-N 3.13Å; L1456-W1459 HydrophobicContact CD1-CH2 3.86Å; L1456-W1459 HydrophobicContact CD1-CZ3 3.98Å | ||
| 1460 | R | 88.7 | Confident | 88.3 | Confident | 142 Ų | 142 | 46.2 Ų | 46.2 | 54% | 0.536 | 21% | 0.211 | S | C | . | . | trans | -98.2 | 133.2 | 178.9 | -68.4 | 178.5 | 170.1 | -147.9 | -11.1 | 109.6 | D1455 T1458 L1462 | D1455-R1460 PolarHBondContact N-O 3.15Å; T1458-R1460 PolarHBondContact O-N 3.02Å; T1458-R1460 WeakPolarHBondContact OG1-CB 3.47Å; T1458-R1460 WeakPolarHBondContact OG1-CG 3.14Å; R1460-L1462 PolarHBondContact O-N 2.99Å | ||
| 1461 | L | 90 | Very high | 88.3 | Confident | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.01 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -53.1 | 123.3 | 165.1 | -174.5 | 69 | 0 | 0 | 0 | 108.4 | M907 K910 L911 F1432 A1452 V1453 W1454 | M907-L1461 HydrophobicContact CB-CD2 4.15Å; M907-L1461 HydrophobicContact CG-CB 4.16Å; M907-L1461 HydrophobicContact CG-CD2 4.43Å; K910-L1461 HydrophobicContact CB-CD2 3.94Å; K910-L1461 HydrophobicContact CB-CG 4.49Å; K910-L1461 HydrophobicContact CD-CB 4.37Å; K910-L1461 HydrophobicContact CD-CD2 4.36Å; K910-L1461 HydrophobicContact CD-CG 4.18Å; K910-L1461 WeakPolarHBondContact CD-O 3.34Å; K910-L1461 VanDerWaalsContact CE-O 3.26Å; K910-L1461 WeakPolarHBondContact CE-O 3.46Å; K910-L1461 PolarHBondContact NZ-O 3.35Å; L911-L1461 HydrophobicContact CD2-CD2 4.49Å; F1432-L1461 HydrophobicContact CE2-CD1 4.46Å; F1432-L1461 HydrophobicContact CE2-CD2 4.34Å; A1452-L1461 HydrophobicContact CB-CD1 3.69Å; V1453-L1461 CarbonylContact O-C 3.5Å; W1454-L1461 HydrophobicContact CD2-CB 4.43Å; W1454-L1461 HydrophobicContact CD2-CD1 4.22Å; W1454-L1461 HydrophobicContact CE3-CB 3.99Å; W1454-L1461 VanDerWaalsContact CE3-N 3.27Å; W1454-L1461 HydrophobicContact CH2-CB 4.35Å; W1454-L1461 HydrophobicContact CZ2-CD1 4.29Å; W1454-L1461 HydrophobicContact CZ3-CB 3.94Å |
| 1462 | L | 89.3 | Confident | 88.3 | Confident | 46 Ų | 46 | 48.5 Ų | 48.5 | 24% | 0.241 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | -54 | 178 | -70.4 | 179.9 | 0 | 0 | 0 | 110.9 | K910 E1446 V1453 D1455 R1460 | K910-L1462 WeakPolarHBondContact CD-O 3.36Å; K910-L1462 PolarHBondContact NZ-O 3.08Å; E1446-L1462 HydrophobicContact CG-CD1 3.8Å; E1446-L1462 WeakPolarHBondContact OE1-CD1 3.18Å; V1453-L1462 PolarHBondContact O-N 3.46Å; D1455-L1462 HydrophobicContact CB-CD1 3.94Å; D1455-L1462 HydrophobicContact CB-CD2 3.98Å; D1455-L1462 HydrophobicContact CB-CG 3.88Å; R1460-L1462 PolarHBondContact O-N 2.99Å |
| 1463 | H | 85.8 | Confident | 88.3 | Confident | 101 Ų | 101 | 49 Ų | 49 | 47% | 0.468 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 158.1 | -173.3 | -61.9 | -74.6 | 0 | 0 | 0 | 110.9 | V1453 | V1453-H1463 HydrophobicContact CB-CB 4.35Å; V1453-H1463 PolarHBondContact N-O 2.99Å; V1453-H1463 PolarHBondContact O-N 3.01Å |
| 1464 | T | 86.7 | Confident | 88.3 | Confident | 33 Ų | 33 | 52.3 Ų | 52.3 | 20% | 0.202 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 112.3 | 169.8 | -51.7 | 0 | 0 | 0 | 0 | 109.6 | K910 L911 P912 S1451 | K910-T1464 PolarHBondContact O-OG1 2.95Å; L911-T1464 HydrophobicContact CD2-CG2 4.26Å; P912-T1464 HydrophobicContact CG-CG2 4.26Å; S1451-T1464 CarbonylContact O-C 3.54Å; S1451-T1464 WeakPolarHBondContact O-CA 3.38Å |
| 1465 | I | 86.8 | Confident | 88.2 | Confident | 8 Ų | 8 | 53.8 Ų | 53.8 | 4% | 0.041 | 25% | 0.246 | C | C | . | . | trans | -104.8 | 89.9 | -170.1 | -49.3 | 165.3 | 0 | 0 | 0 | 108.6 | S1451 V1453 P1467 L1468 Y1516 | S1451-I1465 WeakPolarHBondContact CA-O 3.28Å; S1451-I1465 WeakPolarHBondContact CB-O 3.37Å; S1451-I1465 PolarHBondContact O-N 3.39Å; V1453-I1465 HydrophobicContact CG2-CD1 3.26Å; V1453-I1465 HydrophobicContact CG2-CG1 4Å; I1465-P1467 VanDerWaalsContact C-CD 3.47Å; I1465-P1467 VanDerWaalsContact C-N 3.3Å; I1465-L1468 HydrophobicContact CB-CB 4.38Å; I1465-L1468 HydrophobicContact CB-CD1 4.18Å; I1465-L1468 HydrophobicContact CB-CG 4.29Å; I1465-L1468 HydrophobicContact CD1-CD1 3.8Å; I1465-L1468 HydrophobicContact CG2-CB 4.24Å; I1465-L1468 HydrophobicContact CG2-CD1 3.86Å; I1465-L1468 HydrophobicContact CG2-CG 3.72Å; I1465-L1468 PolarHBondContact O-N 2.97Å; I1465-Y1516 HydrophobicContact CD1-CD1 3.23Å; I1465-Y1516 HydrophobicContact CD1-CD2 4.07Å; I1465-Y1516 HydrophobicContact CD1-CE1 3.85Å; I1465-Y1516 HydrophobicContact CD1-CG 3.33Å; I1465-Y1516 HydrophobicContact CG1-CD1 4.4Å; I1465-Y1516 HydrophobicContact CG1-CG 4.09Å | ||
| 1466 | Q | 84.4 | Confident | 88.1 | Confident | 58 Ų | 58 | 52.8 Ų | 52.8 | 27% | 0.271 | 24% | 0.241 | S | C | . | . | G | 310 helix | trans | -59.5 | -30.1 | -178.6 | -74.8 | -104.9 | -90.3 | 0 | 0 | 115.5 | P912 L1468 D1469 | P912-Q1466 HydrophobicContact CB-CG 4.06Å; P912-Q1466 HydrophobicContact CG-CG 3.43Å; P912-Q1466 VanDerWaalsContact CG-CG 3.43Å; Q1466-L1468 PolarHBondContact O-N 3.39Å; Q1466-D1469 PolarHBondContact NE2-OD2 3.29Å; Q1466-D1469 PolarHBondContact O-N 3.35Å |
| 1467 | P | 84.8 | Confident | 87.8 | Confident | 35 Ų | 35 | 53.7 Ų | 53.7 | 23% | 0.227 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -68 | -1.3 | 169.8 | -23.5 | 34.6 | 0 | 0 | 0 | 116.3 | I1465 L1471 R1509 V1511 L1518 | I1465-P1467 VanDerWaalsContact C-CD 3.47Å; I1465-P1467 VanDerWaalsContact C-N 3.3Å; P1467-L1471 WeakPolarHBondContact O-CD1 3.42Å; P1467-R1509 VanDerWaalsContact O-CD 3.26Å; P1467-R1509 WeakPolarHBondContact O-CD 3.09Å; P1467-V1511 HydrophobicContact CB-CG2 4.47Å; P1467-L1518 HydrophobicContact CB-CD1 3.74Å; P1467-L1518 HydrophobicContact CB-CD2 4.44Å; P1467-L1518 HydrophobicContact CG-CB 4.29Å; P1467-L1518 HydrophobicContact CG-CD1 4.19Å; P1467-L1518 HydrophobicContact CG-CD2 4.19Å; P1467-L1518 HydrophobicContact CG-CG 4.48Å |
| 1468 | L | 88.2 | Confident | 87.6 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -116 | 10.4 | 174.3 | -59.7 | -179.3 | 0 | 0 | 0 | 112.1 | I1448 G1450 S1451 I1465 Q1466 R1470 L1471 V1473 I1482 A1484 V1511 | I1448-L1468 HydrophobicContact CG2-CD1 4.3Å; G1450-L1468 CarbonylContact C-O 3.33Å; G1450-L1468 VanDerWaalsContact CA-O 3.31Å; G1450-L1468 WeakPolarHBondContact CA-O 3.3Å; S1451-L1468 PolarHBondContact N-O 3.23Å; I1465-L1468 HydrophobicContact CB-CB 4.38Å; I1465-L1468 HydrophobicContact CB-CD1 4.18Å; I1465-L1468 HydrophobicContact CB-CG 4.29Å; I1465-L1468 HydrophobicContact CD1-CD1 3.8Å; I1465-L1468 HydrophobicContact CG2-CB 4.24Å; I1465-L1468 HydrophobicContact CG2-CD1 3.86Å; I1465-L1468 HydrophobicContact CG2-CG 3.72Å; I1465-L1468 PolarHBondContact O-N 2.97Å; Q1466-L1468 PolarHBondContact O-N 3.39Å; L1468-R1470 PolarHBondContact O-N 2.94Å; L1468-L1471 PolarHBondContact O-N 3.46Å; L1468-V1473 HydrophobicContact CD1-CG2 4.21Å; L1468-V1473 HydrophobicContact CD2-CG2 4.19Å; L1468-I1482 HydrophobicContact CD1-CD1 4.38Å; L1468-I1482 HydrophobicContact CD1-CG2 4.42Å; L1468-I1482 HydrophobicContact CD2-CG2 3.92Å; L1468-A1484 HydrophobicContact CD2-CB 3.35Å; L1468-V1511 HydrophobicContact CD2-CG2 3.92Å; L1468-V1511 HydrophobicContact CG-CG2 4.34Å |
| 1469 | D | 83.9 | Confident | 87.6 | Confident | 51 Ų | 51 | 50.5 Ų | 50.5 | 27% | 0.273 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | 129.6 | -178.8 | -142.2 | 17.6 | 0 | 0 | 0 | 110.6 | S1451 Q1466 L1471 | S1451-D1469 WeakPolarHBondContact CB-OD1 3.26Å; S1451-D1469 PolarHBondContact OG-OD1 2.85Å; Q1466-D1469 PolarHBondContact NE2-OD2 3.29Å; Q1466-D1469 PolarHBondContact O-N 3.35Å; D1469-L1471 PolarHBondContact O-N 3.08Å; D1469-L1471 VanDerWaalsContact O-N 3.1Å |
| 1470 | R | 80.7 | Confident | 87.6 | Confident | 100 Ų | 100 | 49.1 Ų | 49.1 | 38% | 0.377 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.3 | 2.6 | -172.6 | -62.1 | 173.9 | 173.9 | 128.4 | -2.1 | 116.6 | Q1433 I1435 L1468 L1502 | Q1433-R1470 HydrophobicContact CB-CG 4.37Å; I1435-R1470 HydrophobicContact CD1-CB 4.15Å; I1435-R1470 HydrophobicContact CD1-CG 4.03Å; L1468-R1470 PolarHBondContact O-N 2.94Å; R1470-L1502 VanDerWaalsContact CZ-CD2 3.41Å |
| 1471 | L | 87 | Confident | 87.8 | Confident | 20 Ų | 20 | 42.3 Ų | 42.3 | 11% | 0.105 | 22% | 0.216 | C | C | . | . | trans | -93.6 | 143.8 | -179.9 | -53 | -171.5 | 0 | 0 | 0 | 112.5 | P1467 L1468 D1469 A1484 G1485 I1486 R1509 | P1467-L1471 WeakPolarHBondContact O-CD1 3.42Å; L1468-L1471 PolarHBondContact O-N 3.46Å; D1469-L1471 PolarHBondContact O-N 3.08Å; D1469-L1471 VanDerWaalsContact O-N 3.1Å; L1471-A1484 HydrophobicContact CB-CB 3.98Å; L1471-A1484 HydrophobicContact CD1-CB 3.94Å; L1471-G1485 CarbonylContact C-O 3.56Å; L1471-G1485 WeakPolarHBondContact CA-O 3.42Å; L1471-I1486 HydrophobicContact CD2-CD1 4.04Å; L1471-I1486 HydrophobicContact CD2-CG1 3.67Å; L1471-R1509 HydrophobicContact CD1-CB 4.44Å; L1471-R1509 HydrophobicContact CD1-CG 4.13Å | ||
| 1472 | E | 87.8 | Confident | 88 | Confident | 37 Ų | 37 | 42.2 Ų | 42.2 | 17% | 0.173 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 153.7 | 163.7 | -174.8 | 168.3 | -172.2 | 0 | 0 | 110.3 | K1383 A1484 G1485 F1487 | K1383-E1472 VanDerWaalsContact CD-OE1 3.23Å; K1383-E1472 WeakPolarHBondContact CD-OE1 3.42Å; K1383-E1472 IonicContact NZ-OE1 3.09Å; K1383-E1472 PolarHBondContact NZ-OE1 2.76Å; K1383-E1472 IonicContact NZ-OE2 3.71Å; K1383-E1472 PolarHBondContact NZ-OE2 3Å; E1472-A1484 WeakPolarHBondContact O-CA 3.48Å; E1472-A1484 WeakPolarHBondContact O-CB 3.41Å; E1472-G1485 PolarHBondContact N-O 2.89Å; E1472-G1485 PolarHBondContact O-N 3.41Å; E1472-F1487 HydrophobicContact CB-CD2 4.31Å |
| 1473 | V | 91.7 | Very high | 88.2 | Confident | 14 Ų | 14 | 40.1 Ų | 40.1 | 9% | 0.085 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 117.5 | -170.6 | 165.7 | 0 | 0 | 0 | 0 | 110.7 | V1439 I1448 L1468 F1475 I1482 A1484 | V1439-V1473 HydrophobicContact CG2-CB 3.88Å; V1439-V1473 HydrophobicContact CG2-CG1 3.81Å; I1448-V1473 HydrophobicContact CD1-CG1 4.43Å; I1448-V1473 HydrophobicContact CG2-CG2 4.4Å; L1468-V1473 HydrophobicContact CD1-CG2 4.21Å; L1468-V1473 HydrophobicContact CD2-CG2 4.19Å; V1473-F1475 HydrophobicContact CG1-CD2 4.33Å; V1473-F1475 HydrophobicContact CG1-CE2 3.73Å; V1473-F1475 HydrophobicContact CG1-CZ 4Å; V1473-I1482 HydrophobicContact CG1-CD1 4.31Å; V1473-I1482 HydrophobicContact CG1-CG1 4.05Å; V1473-I1482 HydrophobicContact CG1-CG2 3.82Å; V1473-I1482 HydrophobicContact CG2-CG2 4.27Å; V1473-A1484 HydrophobicContact CG2-CB 4.35Å |
| 1474 | Q | 91.1 | Very high | 88.5 | Confident | 68 Ų | 68 | 35.3 Ų | 35.3 | 32% | 0.318 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 136.7 | 173.1 | -164.4 | 180 | 34.1 | 0 | 0 | 110 | I1482 Y1483 L1531 L1533 | Q1474-I1482 WeakPolarHBondContact O-CA 3.11Å; Q1474-Y1483 PolarHBondContact N-O 3.17Å; Q1474-Y1483 PolarHBondContact O-N 2.83Å; Q1474-Y1483 VanDerWaalsContact O-O 3.13Å; Q1474-L1531 PolarHBondContact OE1-O 3.17Å; Q1474-L1533 HydrophobicContact CG-CD1 4.34Å |
| 1475 | F | 92.5 | Very high | 88.5 | Confident | 33 Ų | 33 | 33.7 Ų | 33.7 | 15% | 0.145 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 145.2 | 177.2 | -67.3 | -92.9 | 0 | 0 | 0 | 111 | V1439 H1441 P1442 I1448 V1473 Y1479 I1482 A1513 | V1439-F1475 HydrophobicContact CG2-CE2 4.15Å; H1441-F1475 HydrophobicContact CB-CZ 4.37Å; H1441-F1475 AromaticContact CD2-CE1 3.36Å; H1441-F1475 WeakPolarHBondContact CD2-CE1 3.33Å; H1441-F1475 AromaticContact CD2-CZ 3.49Å; H1441-F1475 VanDerWaalsContact CD2-CZ 3.49Å; H1441-F1475 WeakPolarHBondContact CD2-CZ 3.46Å; H1441-F1475 AromaticContact NE2-CE1 3.58Å; P1442-F1475 VanDerWaalsContact CD-CE1 3.46Å; P1442-F1475 VanDerWaalsContact CD-CZ 3.42Å; P1442-F1475 HydrophobicContact CG-CB 4.19Å; P1442-F1475 HydrophobicContact CG-CD1 3.82Å; P1442-F1475 HydrophobicContact CG-CD2 3.9Å; P1442-F1475 HydrophobicContact CG-CE1 4.15Å; P1442-F1475 HydrophobicContact CG-CE2 4.24Å; P1442-F1475 HydrophobicContact CG-CG 3.69Å; P1442-F1475 HydrophobicContact CG-CZ 4.36Å; I1448-F1475 HydrophobicContact CD1-CZ 3.95Å; V1473-F1475 HydrophobicContact CG1-CD2 4.33Å; V1473-F1475 HydrophobicContact CG1-CE2 3.73Å; V1473-F1475 HydrophobicContact CG1-CZ 4Å; F1475-Y1479 HydrophobicContact CB-CD1 4.16Å; F1475-I1482 HydrophobicContact CD1-CG1 3.71Å; F1475-I1482 HydrophobicContact CE1-CD1 3.72Å; F1475-I1482 HydrophobicContact CE1-CG1 3.32Å; F1475-I1482 HydrophobicContact CG-CG1 4.49Å; F1475-I1482 HydrophobicContact CZ-CD1 4Å; F1475-I1482 HydrophobicContact CZ-CG1 3.83Å; F1475-A1513 HydrophobicContact CD1-CB 4.36Å; F1475-A1513 HydrophobicContact CE1-CB 4.14Å |
| 1476 | N | 90.6 | Very high | 88.3 | Confident | 4 Ų | 4 | 35 Ų | 35 | 2% | 0.021 | 18% | 0.179 | C | C | . | . | trans | -66.5 | 162.2 | 164.9 | 68.2 | -11.6 | 0 | 0 | 0 | 111.5 | S1478 Y1479 D1480 V1481 Y1483 L1533 | N1476-S1478 PolarHBondContact ND2-OG 3.23Å; N1476-S1478 PolarHBondContact O-N 3.41Å; N1476-Y1479 WeakPolarHBondContact O-CA 3.44Å; N1476-Y1479 WeakPolarHBondContact O-CD1 3.34Å; N1476-Y1479 PolarHBondContact O-N 3.14Å; N1476-Y1479 PolarHBondContact OD1-N 3.06Å; N1476-Y1479 VanDerWaalsContact OD1-N 3.15Å; N1476-D1480 PolarHBondContact ND2-OD1 3.12Å; N1476-D1480 PolarHBondContact OD1-N 3.4Å; N1476-D1480 PolarHBondContact OD1-OD1 3.17Å; N1476-V1481 PolarHBondContact N-O 3.09Å; N1476-V1481 PolarHBondContact OD1-N 3.24Å; N1476-V1481 PolarHBondContact OD1-O 2.83Å; N1476-Y1483 HydrophobicContact CB-CE2 4.36Å; N1476-L1533 HydrophobicContact CB-CD1 4.45Å | ||
| 1477 | A | 86.3 | Confident | 88 | Confident | 47 Ų | 47 | 33 Ų | 33 | 39% | 0.388 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -23.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y1479 T1535 | A1477-Y1479 VanDerWaalsContact C-N 3.29Å; A1477-T1535 WeakPolarHBondContact CB-O 3.44Å |
| 1478 | S | 85.3 | Confident | 87.2 | Confident | 77 Ų | 77 | 32 Ų | 32 | 54% | 0.538 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -1.2 | 171.6 | 46.8 | 0 | 0 | 0 | 0 | 114.3 | N1476 D1480 | N1476-S1478 PolarHBondContact ND2-OG 3.23Å; N1476-S1478 PolarHBondContact O-N 3.41Å; S1478-D1480 WeakPolarHBondContact CB-OD1 3.5Å; S1478-D1480 PolarHBondContact O-N 3.46Å; S1478-D1480 PolarHBondContact OG-OD1 2.98Å |
| 1479 | Y | 89.4 | Confident | 86.4 | Confident | 120 Ų | 120 | 32.3 Ų | 32.3 | 47% | 0.471 | 17% | 0.167 | S | C | . | . | S | Bend | trans | 53.6 | 33.8 | 178.9 | -51 | -57.6 | 0 | 0 | 0 | 114.6 | P1442 F1475 N1476 A1477 | P1442-Y1479 HydrophobicContact CB-CD1 3.62Å; P1442-Y1479 HydrophobicContact CB-CD2 4.19Å; P1442-Y1479 HydrophobicContact CB-CE1 4.29Å; P1442-Y1479 HydrophobicContact CB-CG 3.54Å; P1442-Y1479 HydrophobicContact CG-CD1 3.44Å; P1442-Y1479 VanDerWaalsContact CG-CD1 3.44Å; P1442-Y1479 HydrophobicContact CG-CE1 4.2Å; P1442-Y1479 HydrophobicContact CG-CG 3.82Å; F1475-Y1479 HydrophobicContact CB-CD1 4.16Å; N1476-Y1479 WeakPolarHBondContact O-CA 3.44Å; N1476-Y1479 WeakPolarHBondContact O-CD1 3.34Å; N1476-Y1479 PolarHBondContact O-N 3.14Å; N1476-Y1479 PolarHBondContact OD1-N 3.06Å; N1476-Y1479 VanDerWaalsContact OD1-N 3.15Å; A1477-Y1479 VanDerWaalsContact C-N 3.29Å |
| 1480 | D | 89.3 | Confident | 85.6 | Confident | 35 Ų | 35 | 30.9 Ų | 30.9 | 19% | 0.187 | 16% | 0.16 | C | C | . | . | trans | -127.7 | -6.5 | -171.2 | 83.8 | -37.4 | 0 | 0 | 0 | 114.5 | R1214 N1476 S1478 A1513 | R1214-D1480 VanDerWaalsContact CD-O 3.32Å; R1214-D1480 WeakPolarHBondContact CD-O 3.42Å; R1214-D1480 IonicContact CZ-OD2 3.4Å; R1214-D1480 PolarHBondContact NE-O 2.89Å; R1214-D1480 IonicContact NE-OD2 2.88Å; R1214-D1480 PolarHBondContact NE-OD2 3.31Å; R1214-D1480 IonicContact NH2-OD2 3.81Å; R1214-D1480 PolarHBondContact NH2-OD2 3.47Å; N1476-D1480 PolarHBondContact ND2-OD1 3.12Å; N1476-D1480 PolarHBondContact OD1-N 3.4Å; N1476-D1480 PolarHBondContact OD1-OD1 3.17Å; S1478-D1480 WeakPolarHBondContact CB-OD1 3.5Å; S1478-D1480 PolarHBondContact O-N 3.46Å; S1478-D1480 PolarHBondContact OG-OD1 2.98Å; D1480-A1513 PolarHBondContact O-N 3.49Å; D1480-A1513 VanDerWaalsContact O-N 3.12Å | ||
| 1481 | V | 92.6 | Very high | 84.9 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 135.4 | 165.3 | 175.7 | 0 | 0 | 0 | 0 | 110.1 | R1214 H1218 N1476 Y1483 I1519 | R1214-V1481 HydrophobicContact CG-CG2 3.43Å; R1214-V1481 VanDerWaalsContact CG-CG2 3.43Å; H1218-V1481 HydrophobicContact CB-CG1 4.16Å; H1218-V1481 HydrophobicContact CB-CG2 4.22Å; N1476-V1481 PolarHBondContact N-O 3.09Å; N1476-V1481 PolarHBondContact OD1-N 3.24Å; N1476-V1481 PolarHBondContact OD1-O 2.83Å; V1481-Y1483 HydrophobicContact CG1-CD2 4.11Å; V1481-Y1483 HydrophobicContact CG1-CE2 3.88Å; V1481-I1519 HydrophobicContact CG1-CD1 4.25Å; V1481-I1519 HydrophobicContact CG2-CD1 3.95Å |
| 1482 | I | 93.7 | Very high | 83.9 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 132.2 | 166.4 | -74.3 | 162.4 | 0 | 0 | 0 | 108.5 | I1448 L1468 V1473 Q1474 F1475 A1484 T1510 V1511 A1513 Y1516 | I1448-I1482 HydrophobicContact CD1-CD1 3.76Å; L1468-I1482 HydrophobicContact CD1-CD1 4.38Å; L1468-I1482 HydrophobicContact CD1-CG2 4.42Å; L1468-I1482 HydrophobicContact CD2-CG2 3.92Å; V1473-I1482 HydrophobicContact CG1-CD1 4.31Å; V1473-I1482 HydrophobicContact CG1-CG1 4.05Å; V1473-I1482 HydrophobicContact CG1-CG2 3.82Å; V1473-I1482 HydrophobicContact CG2-CG2 4.27Å; Q1474-I1482 WeakPolarHBondContact O-CA 3.11Å; F1475-I1482 HydrophobicContact CD1-CG1 3.71Å; F1475-I1482 HydrophobicContact CE1-CD1 3.72Å; F1475-I1482 HydrophobicContact CE1-CG1 3.32Å; F1475-I1482 HydrophobicContact CG-CG1 4.49Å; F1475-I1482 HydrophobicContact CZ-CD1 4Å; F1475-I1482 HydrophobicContact CZ-CG1 3.83Å; I1482-A1484 HydrophobicContact CG2-CB 4.21Å; I1482-T1510 CarbonylContact O-C 3.55Å; I1482-T1510 VanDerWaalsContact O-CA 3.29Å; I1482-T1510 WeakPolarHBondContact O-CA 3.28Å; I1482-V1511 HydrophobicContact CB-CB 4.17Å; I1482-V1511 HydrophobicContact CG2-CB 4.34Å; I1482-V1511 PolarHBondContact N-O 3.43Å; I1482-V1511 PolarHBondContact O-N 3.22Å; I1482-A1513 HydrophobicContact CD1-CB 4.32Å; I1482-A1513 HydrophobicContact CG1-CB 4.21Å; I1482-Y1516 HydrophobicContact CD1-CD1 4.12Å; I1482-Y1516 HydrophobicContact CD1-CE1 3.86Å |
| 1483 | Y | 93.5 | Very high | 82.8 | Confident | 1 Ų | 1 | 37 Ų | 37 | 0% | 0.004 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 139.5 | 158.9 | -69.3 | -104.5 | 0 | 0 | 0 | 107.8 | H1218 F1221 Q1474 N1476 V1481 F1508 R1509 T1510 L1533 L1540 I1563 | H1218-Y1483 AromaticContact ND1-CZ 3.84Å; H1218-Y1483 PolarHBondContact ND1-OH 3.48Å; F1221-Y1483 AromaticContact CE1-CE1 3.83Å; F1221-Y1483 HydrophobicContact CE1-CE1 3.83Å; F1221-Y1483 AromaticContact CZ-CE1 4Å; F1221-Y1483 HydrophobicContact CZ-CE1 4Å; Q1474-Y1483 PolarHBondContact N-O 3.17Å; Q1474-Y1483 PolarHBondContact O-N 2.83Å; Q1474-Y1483 VanDerWaalsContact O-O 3.13Å; N1476-Y1483 HydrophobicContact CB-CE2 4.36Å; V1481-Y1483 HydrophobicContact CG1-CD2 4.11Å; V1481-Y1483 HydrophobicContact CG1-CE2 3.88Å; Y1483-F1508 HydrophobicContact CD1-CD2 4.15Å; Y1483-F1508 HydrophobicContact CD1-CE2 4.21Å; Y1483-F1508 HydrophobicContact CE1-CE2 4.32Å; Y1483-R1509 CarbonylContact C-O 3.49Å; Y1483-R1509 WeakPolarHBondContact CA-O 3.46Å; Y1483-T1510 HydrophobicContact CD1-CG2 3.46Å; Y1483-T1510 VanDerWaalsContact CD1-CG2 3.46Å; Y1483-T1510 HydrophobicContact CE1-CG2 3.46Å; Y1483-T1510 VanDerWaalsContact CE1-CG2 3.46Å; Y1483-T1510 HydrophobicContact CG-CG2 4.08Å; Y1483-L1533 HydrophobicContact CD1-CD2 4.18Å; Y1483-L1533 HydrophobicContact CD2-CD1 3.46Å; Y1483-L1533 VanDerWaalsContact CD2-CD1 3.46Å; Y1483-L1533 HydrophobicContact CD2-CD2 3.84Å; Y1483-L1533 HydrophobicContact CD2-CG 4.28Å; Y1483-L1533 HydrophobicContact CE1-CD2 4.01Å; Y1483-L1533 HydrophobicContact CE2-CD1 3.85Å; Y1483-L1533 HydrophobicContact CE2-CD2 3.62Å; Y1483-L1533 HydrophobicContact CE2-CG 4.42Å; Y1483-L1533 HydrophobicContact CG-CD1 4.03Å; Y1483-L1533 HydrophobicContact CG-CD2 4.1Å; Y1483-L1540 HydrophobicContact CD1-CD1 4.43Å; Y1483-L1540 HydrophobicContact CE1-CD1 4.42Å; Y1483-L1540 HydrophobicContact CE1-CD2 4.27Å; Y1483-I1563 WeakPolarHBondContact OH-CD1 3.23Å |
| 1484 | A | 91.8 | Very high | 81.5 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 143.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L1468 L1471 E1472 V1473 I1482 F1508 R1509 | L1468-A1484 HydrophobicContact CD2-CB 3.35Å; L1471-A1484 HydrophobicContact CB-CB 3.98Å; L1471-A1484 HydrophobicContact CD1-CB 3.94Å; E1472-A1484 WeakPolarHBondContact O-CA 3.48Å; E1472-A1484 WeakPolarHBondContact O-CB 3.41Å; V1473-A1484 HydrophobicContact CG2-CB 4.35Å; I1482-A1484 HydrophobicContact CG2-CB 4.21Å; A1484-F1508 CarbonylContact O-C 3.54Å; A1484-F1508 VanDerWaalsContact O-CA 3.27Å; A1484-F1508 WeakPolarHBondContact O-CA 3.37Å; A1484-R1509 PolarHBondContact N-O 3.36Å; A1484-R1509 PolarHBondContact O-N 3.36Å |
| 1485 | G | 87.2 | Confident | 80.1 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -171.1 | -164.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | L1471 E1472 F1487 | L1471-G1485 CarbonylContact C-O 3.56Å; L1471-G1485 WeakPolarHBondContact CA-O 3.42Å; E1472-G1485 PolarHBondContact N-O 2.89Å; E1472-G1485 PolarHBondContact O-N 3.41Å; G1485-F1487 VanDerWaalsContact CA-CZ 3.44Å |
| 1486 | I | 82.1 | Confident | 78.5 | Confident | 36 Ų | 36 | 42.7 Ų | 42.7 | 19% | 0.185 | 23% | 0.229 | C | C | . | . | trans | -122.1 | 128.8 | 173.3 | -57.8 | 178.4 | 0 | 0 | 0 | 105.9 | L1471 L1489 M1504 | L1471-I1486 HydrophobicContact CD2-CD1 4.04Å; L1471-I1486 HydrophobicContact CD2-CG1 3.67Å; I1486-L1489 HydrophobicContact CG2-CD1 3.48Å; I1486-L1489 VanDerWaalsContact CG2-CD1 3.48Å; I1486-L1489 HydrophobicContact CG2-CG 4.2Å; I1486-M1504 HydrophobicContact CD1-CE 4.39Å; I1486-M1504 HydrophobicContact CD1-SD 3.43Å; I1486-M1504 WeakPolarHBondContact CD1-SD 3.39Å; I1486-M1504 HydrophobicContact CG2-SD 4.35Å | ||
| 1487 | F | 79.5 | Confident | 77 | Confident | 16 Ų | 16 | 43.2 Ų | 43.2 | 7% | 0.07 | 23% | 0.231 | C | C | . | . | trans | -145.6 | 137.3 | -165.5 | -49 | -59.1 | 0 | 0 | 0 | 110.8 | K1383 E1472 G1485 I1528 E1529 L1531 | K1383-F1487 PolarHBondContact NZ-O 3.29Å; E1472-F1487 HydrophobicContact CB-CD2 4.31Å; G1485-F1487 VanDerWaalsContact CA-CZ 3.44Å; F1487-I1528 HydrophobicContact CD1-CB 4.22Å; F1487-I1528 HydrophobicContact CD1-CG2 3.89Å; F1487-I1528 HydrophobicContact CE1-CB 4.19Å; F1487-I1528 HydrophobicContact CE1-CG2 3.78Å; F1487-E1529 CarbonylContact C-O 3.54Å; F1487-E1529 WeakPolarHBondContact CA-O 3.38Å; F1487-E1529 WeakPolarHBondContact CB-O 3.38Å; F1487-L1531 HydrophobicContact CD1-CB 4.25Å; F1487-L1531 HydrophobicContact CE1-CB 3.71Å; F1487-L1531 HydrophobicContact CE1-CD1 4.15Å; F1487-L1531 HydrophobicContact CE2-CB 4.14Å; F1487-L1531 HydrophobicContact CZ-CB 3.63Å; F1487-L1531 HydrophobicContact CZ-CD1 3.69Å; F1487-L1531 HydrophobicContact CZ-CG 4.27Å | ||
| 1488 | G | 67.9 | Low | 75.3 | Confident | 13 Ų | 13 | 42.6 Ų | 42.6 | 13% | 0.134 | 23% | 0.23 | C | C | . | . | trans | 57.9 | 55.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113 | R1279 E1529 | R1279-G1488 VanDerWaalsContact CZ-O 3.3Å; R1279-G1488 PolarHBondContact NE-O 3.11Å; R1279-G1488 PolarHBondContact NH2-O 3.03Å; G1488-E1529 PolarHBondContact N-O 2.81Å | ||
| 1489 | L | 70.6 | Confident | 73.5 | Confident | 7 Ų | 7 | 43.7 Ų | 43.7 | 4% | 0.037 | 24% | 0.237 | C | C | . | . | trans | -91 | 138.3 | 157.5 | -81.5 | 164.3 | 0 | 0 | 0 | 107.8 | L1381 I1486 E1493 Y1494 L1497 M1504 R1527 | L1381-L1489 HydrophobicContact CD1-CD2 3.98Å; L1381-L1489 HydrophobicContact CD1-CG 4.15Å; L1381-L1489 HydrophobicContact CD2-CD2 3.85Å; L1381-L1489 HydrophobicContact CG-CD2 4.1Å; I1486-L1489 HydrophobicContact CG2-CD1 3.48Å; I1486-L1489 VanDerWaalsContact CG2-CD1 3.48Å; I1486-L1489 HydrophobicContact CG2-CG 4.2Å; L1489-E1493 WeakPolarHBondContact CA-OE2 3.39Å; L1489-E1493 HydrophobicContact CB-CB 4.45Å; L1489-E1493 HydrophobicContact CD2-CB 3.61Å; L1489-Y1494 HydrophobicContact CB-CD2 4.41Å; L1489-Y1494 HydrophobicContact CD1-CD2 3.88Å; L1489-L1497 HydrophobicContact CD1-CD1 4.18Å; L1489-L1497 HydrophobicContact CD2-CD1 3.82Å; L1489-M1504 HydrophobicContact CD1-CE 3.54Å; L1489-M1504 HydrophobicContact CD1-SD 4.44Å; L1489-R1527 PolarHBondContact O-NH2 3.41Å | ||
| 1490 | D | 67.5 | Low | 71.6 | Confident | 21 Ų | 21 | 41.6 Ų | 41.6 | 11% | 0.112 | 23% | 0.234 | C | C | . | . | trans | -71.2 | 159 | 169.8 | -48.6 | -35 | 0 | 0 | 0 | 109 | R1279 R1335 E1492 E1493 Y1494 | R1279-D1490 IonicContact CZ-OD1 3.19Å; R1279-D1490 IonicContact CZ-OD2 3.33Å; R1279-D1490 IonicContact NE-OD1 2.73Å; R1279-D1490 IonicContact NH1-OD1 3.1Å; R1279-D1490 PolarHBondContact NH1-OD1 3.25Å; R1279-D1490 IonicContact NH1-OD2 2.67Å; R1279-D1490 PolarHBondContact NH1-OD2 3.25Å; R1279-D1490 IonicContact NH2-OD1 2.78Å; R1279-D1490 PolarHBondContact NH2-OD1 3.17Å; R1279-D1490 IonicContact NH2-OD2 2.71Å; R1335-D1490 IonicContact NH1-OD2 2.73Å; R1335-D1490 PolarHBondContact NH1-OD2 2.83Å; D1490-E1492 VanDerWaalsContact C-N 3.3Å; D1490-E1492 PolarHBondContact O-N 3.3Å; D1490-E1493 HydrophobicContact CB-CG 4.11Å; D1490-E1493 PolarHBondContact N-OE2 3.49Å; D1490-E1493 PolarHBondContact O-N 2.69Å; D1490-E1493 VanDerWaalsContact O-N 3.15Å; D1490-Y1494 PolarHBondContact O-N 3.03Å | ||
| 1491 | D | 66.3 | Low | 69.7 | Low | 89 Ų | 89 | 48.2 Ų | 48.2 | 48% | 0.476 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -62.8 | -34.8 | -174.8 | -78.8 | -26.5 | 0 | 0 | 0 | 113 | Y1494 A1495 R1527 K1545 | D1491-Y1494 PolarHBondContact O-N 2.87Å; D1491-A1495 WeakPolarHBondContact O-CB 3.42Å; D1491-A1495 PolarHBondContact O-N 2.99Å; D1491-R1527 IonicContact OD1-CZ 3.88Å; D1491-R1527 IonicContact OD1-NH1 2.71Å; D1491-R1527 PolarHBondContact OD1-NH1 3.34Å; D1491-R1527 IonicContact OD1-NH2 3.28Å; D1491-R1527 PolarHBondContact OD1-NH2 3.08Å; D1491-K1545 IonicContact OD1-NZ 2.7Å; D1491-K1545 PolarHBondContact OD1-NZ 3.19Å; D1491-K1545 IonicContact OD2-NZ 2.87Å; D1491-K1545 PolarHBondContact OD2-NZ 3.14Å |
| 1492 | E | 64.5 | Low | 67.7 | Low | 156 Ų | 156 | 50 Ų | 50 | 73% | 0.729 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -62.9 | -50.2 | 170.8 | -63.3 | 178.2 | 167.2 | 0 | 0 | 111.6 | D1490 Y1494 A1495 E1496 | D1490-E1492 VanDerWaalsContact C-N 3.3Å; D1490-E1492 PolarHBondContact O-N 3.3Å; E1492-Y1494 PolarHBondContact O-N 3.25Å; E1492-A1495 PolarHBondContact O-N 3.15Å; E1492-A1495 VanDerWaalsContact O-N 3.14Å; E1492-E1496 PolarHBondContact O-N 2.88Å |
| 1493 | E | 65.2 | Low | 65.7 | Low | 40 Ų | 40 | 54.2 Ų | 54.2 | 19% | 0.187 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -59.4 | -34.7 | 178 | -60.2 | -179.2 | 136.7 | 0 | 0 | 111.4 | R1279 L1489 D1490 L1497 | R1279-E1493 IonicContact CZ-OE2 2.84Å; R1279-E1493 IonicContact NH2-OE1 3.77Å; R1279-E1493 IonicContact NH2-OE2 3.38Å; R1279-E1493 PolarHBondContact NH2-OE2 3.16Å; L1489-E1493 WeakPolarHBondContact CA-OE2 3.39Å; L1489-E1493 HydrophobicContact CB-CB 4.45Å; L1489-E1493 HydrophobicContact CD2-CB 3.61Å; D1490-E1493 HydrophobicContact CB-CG 4.11Å; D1490-E1493 PolarHBondContact N-OE2 3.49Å; D1490-E1493 PolarHBondContact O-N 2.69Å; D1490-E1493 VanDerWaalsContact O-N 3.15Å; E1493-L1497 WeakPolarHBondContact O-CB 3.45Å; E1493-L1497 WeakPolarHBondContact O-CD1 3.39Å; E1493-L1497 WeakPolarHBondContact O-CG 3.5Å; E1493-L1497 PolarHBondContact O-N 2.65Å |
| 1494 | Y | 65.7 | Low | 64 | Low | 45 Ų | 45 | 55.7 Ų | 55.7 | 18% | 0.176 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -72.6 | -41.5 | 176.5 | -165.8 | -85.7 | 0 | 0 | 0 | 112 | L1489 D1490 D1491 E1492 L1497 G1498 M1504 N1506 R1527 | L1489-Y1494 HydrophobicContact CB-CD2 4.41Å; L1489-Y1494 HydrophobicContact CD1-CD2 3.88Å; D1490-Y1494 PolarHBondContact O-N 3.03Å; D1491-Y1494 PolarHBondContact O-N 2.87Å; E1492-Y1494 PolarHBondContact O-N 3.25Å; Y1494-L1497 PolarHBondContact O-N 2.91Å; Y1494-G1498 PolarHBondContact O-N 3.09Å; Y1494-M1504 HydrophobicContact CD2-CG 4.28Å; Y1494-M1504 HydrophobicContact CE1-CB 4.46Å; Y1494-M1504 HydrophobicContact CE1-CG 4.47Å; Y1494-M1504 HydrophobicContact CE2-CB 3.87Å; Y1494-M1504 HydrophobicContact CE2-CG 3.75Å; Y1494-M1504 HydrophobicContact CE2-SD 4.46Å; Y1494-M1504 WeakPolarHBondContact OH-CB 3.48Å; Y1494-N1506 PolarHBondContact OH-OD1 3.04Å; Y1494-R1527 HydrophobicContact CE2-CG 4.27Å |
| 1495 | A | 60.4 | Low | 62.7 | Low | 55 Ų | 55 | 61.1 Ų | 61.1 | 46% | 0.455 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -68.6 | -42.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | D1491 E1492 G1498 S1499 | D1491-A1495 WeakPolarHBondContact O-CB 3.42Å; D1491-A1495 PolarHBondContact O-N 2.99Å; E1492-A1495 PolarHBondContact O-N 3.15Å; E1492-A1495 VanDerWaalsContact O-N 3.14Å; A1495-G1498 PolarHBondContact O-N 3.2Å; A1495-S1499 WeakPolarHBondContact O-CB 3.33Å; A1495-S1499 PolarHBondContact O-N 3.04Å; A1495-S1499 PolarHBondContact O-OG 2.58Å |
| 1496 | E | 59.3 | Low | 62.4 | Low | 135 Ų | 135 | 63 Ų | 63 | 63% | 0.631 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -56.8 | -51.4 | 171.7 | -75.8 | -169.9 | 164 | 0 | 0 | 110.7 | E1492 N1500 | E1492-E1496 PolarHBondContact O-N 2.88Å; E1496-N1500 PolarHBondContact O-N 2.92Å; E1496-N1500 PolarHBondContact O-ND2 2.82Å |
| 1497 | L | 58.9 | Low | 62.5 | Low | 14 Ų | 14 | 62.6 Ų | 62.6 | 7% | 0.073 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -67.4 | -39.4 | -178.8 | -69.8 | 169.7 | 0 | 0 | 0 | 112.1 | I1380 I1435 L1489 E1493 Y1494 N1500 L1502 M1504 | I1380-L1497 HydrophobicContact CD1-CD2 4.01Å; I1435-L1497 HydrophobicContact CD1-CD1 4.43Å; I1435-L1497 HydrophobicContact CD1-CD2 4.18Å; I1435-L1497 HydrophobicContact CG1-CD2 4.4Å; L1489-L1497 HydrophobicContact CD1-CD1 4.18Å; L1489-L1497 HydrophobicContact CD2-CD1 3.82Å; E1493-L1497 WeakPolarHBondContact O-CB 3.45Å; E1493-L1497 WeakPolarHBondContact O-CD1 3.39Å; E1493-L1497 WeakPolarHBondContact O-CG 3.5Å; E1493-L1497 PolarHBondContact O-N 2.65Å; Y1494-L1497 PolarHBondContact O-N 2.91Å; L1497-N1500 PolarHBondContact O-N 2.78Å; L1497-L1502 HydrophobicContact CD2-CD1 4.33Å; L1497-L1502 WeakPolarHBondContact O-CB 3.49Å; L1497-M1504 HydrophobicContact CB-CE 3.56Å; L1497-M1504 HydrophobicContact CD1-CE 3.57Å; L1497-M1504 HydrophobicContact CG-CE 4.18Å |
| 1498 | G | 50.9 | Low | 63.1 | Low | 35 Ų | 35 | 61.9 Ų | 61.9 | 36% | 0.361 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -62.4 | -42.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y1494 A1495 N1500 | Y1494-G1498 PolarHBondContact O-N 3.09Å; A1495-G1498 PolarHBondContact O-N 3.2Å; G1498-N1500 VanDerWaalsContact C-N 3.27Å; G1498-N1500 PolarHBondContact O-N 3.09Å |
| 1499 | S | 47.3 | Very low | 64.3 | Low | 100 Ų | 100 | 63.6 Ų | 63.6 | 70% | 0.699 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -60.8 | -35.8 | 176.9 | -59.8 | 0 | 0 | 0 | 0 | 112.5 | A1495 R1501 | A1495-S1499 WeakPolarHBondContact O-CB 3.33Å; A1495-S1499 PolarHBondContact O-N 3.04Å; A1495-S1499 PolarHBondContact O-OG 2.58Å; S1499-R1501 PolarHBondContact O-N 3.14Å |
| 1500 | N | 49 | Very low | 65.3 | Low | 76 Ų | 76 | 63.3 Ų | 63.3 | 41% | 0.406 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | 36 | -176.1 | -82.7 | -60.2 | 0 | 0 | 0 | 114.8 | E1496 L1497 G1498 L1502 | E1496-N1500 PolarHBondContact O-N 2.92Å; E1496-N1500 PolarHBondContact O-ND2 2.82Å; L1497-N1500 PolarHBondContact O-N 2.78Å; G1498-N1500 VanDerWaalsContact C-N 3.27Å; G1498-N1500 PolarHBondContact O-N 3.09Å; N1500-L1502 PolarHBondContact O-N 3.26Å |
| 1501 | R | 48.8 | Very low | 66.5 | Low | 173 Ų | 173 | 62.3 Ų | 62.3 | 65% | 0.653 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.2 | 6.1 | -176 | -57.8 | 173.5 | 167 | 149.3 | -2.4 | 114.9 | S1499 A1503 | S1499-R1501 PolarHBondContact O-N 3.14Å; R1501-A1503 PolarHBondContact O-N 3.32Å |
| 1502 | L | 51.8 | Low | 67.7 | Low | 39 Ų | 39 | 58.1 Ų | 58.1 | 20% | 0.204 | 31% | 0.311 | C | S | . | . | trans | -92.4 | 81.3 | 179.3 | -58.1 | 176.7 | 0 | 0 | 0 | 109.3 | I1435 R1470 L1497 N1500 M1504 | I1435-L1502 HydrophobicContact CD1-CD1 4.36Å; R1470-L1502 VanDerWaalsContact CZ-CD2 3.41Å; L1497-L1502 HydrophobicContact CD2-CD1 4.33Å; L1497-L1502 WeakPolarHBondContact O-CB 3.49Å; N1500-L1502 PolarHBondContact O-N 3.26Å; L1502-M1504 VanDerWaalsContact C-N 3.33Å; L1502-M1504 PolarHBondContact O-N 3.45Å | ||
| 1503 | A | 50.8 | Low | 69 | Low | 87 Ų | 87 | 50.8 Ų | 50.8 | 72% | 0.719 | 28% | 0.277 | S | S | * | . | trans | -57.4 | 97.7 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | R1501 | R1501-A1503 PolarHBondContact O-N 3.32Š| ||
| 1504 | M | 59.1 | Low | 70 | Confident | 33 Ų | 33 | 54.8 Ų | 54.8 | 16% | 0.163 | 30% | 0.299 | C | S | . | . | trans | -54.4 | 136.1 | 173.1 | -74.7 | -71.2 | -173.5 | 0 | 0 | 108.7 | I1486 L1489 Y1494 L1497 L1502 | I1486-M1504 HydrophobicContact CD1-CE 4.39Å; I1486-M1504 HydrophobicContact CD1-SD 3.43Å; I1486-M1504 WeakPolarHBondContact CD1-SD 3.39Å; I1486-M1504 HydrophobicContact CG2-SD 4.35Å; L1489-M1504 HydrophobicContact CD1-CE 3.54Å; L1489-M1504 HydrophobicContact CD1-SD 4.44Å; Y1494-M1504 HydrophobicContact CD2-CG 4.28Å; Y1494-M1504 HydrophobicContact CE1-CB 4.46Å; Y1494-M1504 HydrophobicContact CE1-CG 4.47Å; Y1494-M1504 HydrophobicContact CE2-CB 3.87Å; Y1494-M1504 HydrophobicContact CE2-CG 3.75Å; Y1494-M1504 HydrophobicContact CE2-SD 4.46Å; Y1494-M1504 WeakPolarHBondContact OH-CB 3.48Å; L1497-M1504 HydrophobicContact CB-CE 3.56Å; L1497-M1504 HydrophobicContact CD1-CE 3.57Å; L1497-M1504 HydrophobicContact CG-CE 4.18Å; L1502-M1504 VanDerWaalsContact C-N 3.33Å; L1502-M1504 PolarHBondContact O-N 3.45Å | ||
| 1505 | Q | 64.7 | Low | 71 | Confident | 114 Ų | 114 | 56.5 Ų | 56.5 | 53% | 0.533 | 31% | 0.311 | S | S | . | . | trans | -105.6 | 114.1 | -178.3 | -62.6 | -171.7 | -17.5 | 0 | 0 | 108.9 | M1507 | Q1505-M1507 HydrophobicContact CB-CE 4.34Å; Q1505-M1507 HydrophobicContact CB-CG 3.9Å; Q1505-M1507 HydrophobicContact CB-SD 4.46Å; Q1505-M1507 PolarHBondContact O-N 3.48Å | ||
| 1506 | N | 79.5 | Confident | 72.4 | Confident | 38 Ų | 38 | 55 Ų | 55 | 20% | 0.203 | 29% | 0.293 | C | S | . | . | trans | -69.1 | 58.1 | 177.7 | -75.3 | -1 | 0 | 0 | 0 | 111.9 | Y1494 V1524 R1525 H1526 R1527 | Y1494-N1506 PolarHBondContact OH-OD1 3.04Å; N1506-V1524 PolarHBondContact O-N 3.34Å; N1506-R1525 PolarHBondContact ND2-O 2.95Å; N1506-H1526 WeakPolarHBondContact CB-O 3.44Å; N1506-R1527 PolarHBondContact ND2-N 3.05Å | ||
| 1507 | M | 85.8 | Confident | 73.8 | Confident | 29 Ų | 29 | 50.1 Ų | 50.1 | 14% | 0.143 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 150.9 | -173.6 | 73.8 | 169.2 | 60 | 0 | 0 | 112.6 | Q1505 R1509 V1522 | Q1505-M1507 HydrophobicContact CB-CE 4.34Å; Q1505-M1507 HydrophobicContact CB-CG 3.9Å; Q1505-M1507 HydrophobicContact CB-SD 4.46Å; Q1505-M1507 PolarHBondContact O-N 3.48Å; M1507-R1509 HydrophobicContact SD-CG 4.46Å; M1507-R1509 PolarHBondContact SD-NH2 3.01Å; M1507-V1522 VanDerWaalsContact CA-O 3.23Å; M1507-V1522 WeakPolarHBondContact CA-O 3.45Å; M1507-V1522 VanDerWaalsContact CB-O 3.23Å; M1507-V1522 WeakPolarHBondContact CB-O 3.11Å |
| 1508 | F | 91.2 | Very high | 75.3 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 155.3 | 164.8 | 72.1 | -85.7 | 0 | 0 | 0 | 111.2 | F1221 Y1483 A1484 T1510 S1521 V1522 V1524 I1528 L1531 L1540 L1542 | F1221-F1508 HydrophobicContact CD2-CE2 4.36Å; F1221-F1508 HydrophobicContact CD2-CZ 4.11Å; F1221-F1508 HydrophobicContact CE1-CE2 4.37Å; F1221-F1508 HydrophobicContact CE2-CE2 4.02Å; F1221-F1508 HydrophobicContact CE2-CZ 4.23Å; F1221-F1508 HydrophobicContact CG-CZ 4.26Å; F1221-F1508 HydrophobicContact CZ-CE2 4.04Å; Y1483-F1508 HydrophobicContact CD1-CD2 4.15Å; Y1483-F1508 HydrophobicContact CD1-CE2 4.21Å; Y1483-F1508 HydrophobicContact CE1-CE2 4.32Å; A1484-F1508 CarbonylContact O-C 3.54Å; A1484-F1508 VanDerWaalsContact O-CA 3.27Å; A1484-F1508 WeakPolarHBondContact O-CA 3.37Å; F1508-T1510 HydrophobicContact CD2-CG2 4.36Å; F1508-T1510 HydrophobicContact CE2-CG2 4.26Å; F1508-S1521 WeakPolarHBondContact O-CA 3.46Å; F1508-V1522 HydrophobicContact CD1-CB 4.03Å; F1508-V1522 HydrophobicContact CD1-CG1 4.33Å; F1508-V1522 HydrophobicContact CD2-CB 4.49Å; F1508-V1522 HydrophobicContact CE1-CB 3.56Å; F1508-V1522 HydrophobicContact CE1-CG1 3.53Å; F1508-V1522 HydrophobicContact CE1-CG2 4.29Å; F1508-V1522 HydrophobicContact CE2-CB 4.08Å; F1508-V1522 HydrophobicContact CE2-CG2 4.01Å; F1508-V1522 HydrophobicContact CG-CB 4.47Å; F1508-V1522 HydrophobicContact CZ-CB 3.6Å; F1508-V1522 HydrophobicContact CZ-CG1 3.74Å; F1508-V1522 HydrophobicContact CZ-CG2 3.79Å; F1508-V1522 PolarHBondContact N-O 3.06Å; F1508-V1522 PolarHBondContact O-N 2.98Å; F1508-V1524 HydrophobicContact CD1-CG2 3.88Å; F1508-V1524 HydrophobicContact CE1-CG2 4.11Å; F1508-I1528 HydrophobicContact CB-CD1 4.38Å; F1508-I1528 HydrophobicContact CD1-CD1 4.42Å; F1508-L1531 HydrophobicContact CB-CD1 4.1Å; F1508-L1531 HydrophobicContact CD2-CD1 4.48Å; F1508-L1531 HydrophobicContact CG-CD1 4.27Å; F1508-L1540 HydrophobicContact CE1-CD2 4.35Å; F1508-L1540 HydrophobicContact CE2-CD2 3.87Å; F1508-L1540 HydrophobicContact CZ-CD2 3.63Å; F1508-L1542 HydrophobicContact CD1-CD1 3.88Å; F1508-L1542 HydrophobicContact CE1-CD1 3.71Å |
| 1509 | R | 92 | Very high | 77.2 | Confident | 50 Ų | 50 | 51.9 Ų | 51.9 | 19% | 0.189 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 140.9 | -177.8 | -55 | -172.3 | -178.3 | -96.8 | 6.8 | 110 | P1467 L1471 Y1483 A1484 M1507 L1518 S1521 | P1467-R1509 VanDerWaalsContact O-CD 3.26Å; P1467-R1509 WeakPolarHBondContact O-CD 3.09Å; L1471-R1509 HydrophobicContact CD1-CB 4.44Å; L1471-R1509 HydrophobicContact CD1-CG 4.13Å; Y1483-R1509 CarbonylContact C-O 3.49Å; Y1483-R1509 WeakPolarHBondContact CA-O 3.46Å; A1484-R1509 PolarHBondContact N-O 3.36Å; A1484-R1509 PolarHBondContact O-N 3.36Å; M1507-R1509 HydrophobicContact SD-CG 4.46Å; M1507-R1509 PolarHBondContact SD-NH2 3.01Å; R1509-L1518 HydrophobicContact CB-CD1 4.38Å; R1509-S1521 WeakPolarHBondContact CG-OG 3.45Å; R1509-S1521 PolarHBondContact NH1-OG 2.86Å |
| 1510 | T | 93.1 | Very high | 79.3 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 131.4 | 174.6 | 58 | 0 | 0 | 0 | 0 | 111.3 | H1218 F1221 I1482 Y1483 F1508 I1519 A1520 | H1218-T1510 PolarHBondContact O-OG1 3Å; F1221-T1510 HydrophobicContact CE2-CG2 4.43Å; F1221-T1510 HydrophobicContact CZ-CG2 3.83Å; I1482-T1510 CarbonylContact O-C 3.55Å; I1482-T1510 VanDerWaalsContact O-CA 3.29Å; I1482-T1510 WeakPolarHBondContact O-CA 3.28Å; Y1483-T1510 HydrophobicContact CD1-CG2 3.46Å; Y1483-T1510 VanDerWaalsContact CD1-CG2 3.46Å; Y1483-T1510 HydrophobicContact CE1-CG2 3.46Å; Y1483-T1510 VanDerWaalsContact CE1-CG2 3.46Å; Y1483-T1510 HydrophobicContact CG-CG2 4.08Å; F1508-T1510 HydrophobicContact CD2-CG2 4.36Å; F1508-T1510 HydrophobicContact CE2-CG2 4.26Å; T1510-I1519 WeakPolarHBondContact O-CA 3.29Å; T1510-I1519 WeakPolarHBondContact O-CB 3.35Å; T1510-I1519 PolarHBondContact O-N 2.83Å; T1510-A1520 PolarHBondContact N-O 3.24Å; T1510-A1520 PolarHBondContact O-N 3.03Å; T1510-A1520 WeakPolarHBondContact OG1-CB 3.39Å; T1510-A1520 PolarHBondContact OG1-N 3.43Å |
| 1511 | V | 92.8 | Very high | 81.2 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 139.1 | -173.6 | 176.9 | 0 | 0 | 0 | 0 | 109.4 | P1467 L1468 I1482 A1513 Y1516 L1518 | P1467-V1511 HydrophobicContact CB-CG2 4.47Å; L1468-V1511 HydrophobicContact CD2-CG2 3.92Å; L1468-V1511 HydrophobicContact CG-CG2 4.34Å; I1482-V1511 HydrophobicContact CB-CB 4.17Å; I1482-V1511 HydrophobicContact CG2-CB 4.34Å; I1482-V1511 PolarHBondContact N-O 3.43Å; I1482-V1511 PolarHBondContact O-N 3.22Å; V1511-A1513 PolarHBondContact O-N 3.46Å; V1511-Y1516 HydrophobicContact CG1-CD1 4.49Å; V1511-L1518 HydrophobicContact CG2-CD1 3.95Å |
| 1512 | D | 91.6 | Very high | 83.1 | Confident | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 117.6 | 175.6 | -167.2 | -37.6 | 0 | 0 | 0 | 110.3 | K1211 R1214 H1215 I1514 Y1516 S1517 I1519 | K1211-D1512 WeakPolarHBondContact CG-OD2 3.43Å; R1214-D1512 IonicContact CZ-OD1 3.37Å; R1214-D1512 IonicContact NH1-OD1 3.2Å; R1214-D1512 PolarHBondContact NH1-OD1 3.16Å; R1214-D1512 IonicContact NH1-OD2 3.26Å; R1214-D1512 PolarHBondContact NH1-OD2 3.36Å; H1215-D1512 IonicContact CD2-OD2 2.83Å; H1215-D1512 PolarHBondContact CD2-OD2 2.99Å; H1215-D1512 WeakPolarHBondContact NE2-CB 3.46Å; H1215-D1512 IonicContact NE2-OD2 3.07Å; H1215-D1512 PolarHBondContact NE2-OD2 3.26Å; D1512-I1514 PolarHBondContact O-N 3.31Å; D1512-I1514 VanDerWaalsContact O-N 3.16Å; D1512-I1514 PolarHBondContact OD1-N 2.91Å; D1512-Y1516 WeakPolarHBondContact O-CA 3.35Å; D1512-Y1516 PolarHBondContact O-N 2.99Å; D1512-S1517 PolarHBondContact N-O 3.15Å; D1512-I1519 HydrophobicContact CB-CD1 4.11Å; D1512-I1519 HydrophobicContact CB-CG1 4.27Å |
| 1513 | A | 90.7 | Very high | 84.7 | Confident | 3 Ų | 3 | 42.6 Ų | 42.6 | 3% | 0.025 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -13.5 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | H1441 F1475 D1480 I1482 V1511 | H1441-A1513 PolarHBondContact NE2-O 3.03Å; F1475-A1513 HydrophobicContact CD1-CB 4.36Å; F1475-A1513 HydrophobicContact CE1-CB 4.14Å; D1480-A1513 PolarHBondContact O-N 3.49Å; D1480-A1513 VanDerWaalsContact O-N 3.12Å; I1482-A1513 HydrophobicContact CD1-CB 4.32Å; I1482-A1513 HydrophobicContact CG1-CB 4.21Å; V1511-A1513 PolarHBondContact O-N 3.46Å |
| 1514 | I | 87 | Confident | 86.2 | Confident | 123 Ų | 123 | 38.9 Ų | 38.9 | 63% | 0.631 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.4 | -32.4 | -176.7 | -60.9 | -170.5 | 0 | 0 | 0 | 112.9 | D1512 | D1512-I1514 PolarHBondContact O-N 3.31Å; D1512-I1514 VanDerWaalsContact O-N 3.16Å; D1512-I1514 PolarHBondContact OD1-N 2.91Å |
| 1515 | D | 86 | Confident | 87.2 | Confident | 81 Ų | 81 | 45.3 Ų | 45.3 | 43% | 0.433 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -135.9 | 9.5 | -179.8 | 80 | -7.3 | 0 | 0 | 0 | 114.9 | K1211 S1517 | K1211-D1515 VanDerWaalsContact NZ-CG 3.29Å; K1211-D1515 IonicContact NZ-OD1 3.64Å; K1211-D1515 PolarHBondContact NZ-OD1 3.22Å; K1211-D1515 VanDerWaalsContact NZ-OD1 3.15Å; K1211-D1515 IonicContact NZ-OD2 3.81Å; K1211-D1515 PolarHBondContact NZ-OD2 3.34Å; D1515-S1517 PolarHBondContact O-N 2.85Å; D1515-S1517 VanDerWaalsContact O-N 3.13Å; D1515-S1517 WeakPolarHBondContact OD1-CB 3.39Å; D1515-S1517 PolarHBondContact OD1-N 3.29Å; D1515-S1517 PolarHBondContact OD1-OG 3.18Å |
| 1516 | Y | 89.6 | Confident | 88.1 | Confident | 23 Ų | 23 | 42.2 Ų | 42.2 | 9% | 0.09 | 21% | 0.213 | C | C | . | . | trans | 56.2 | 26.6 | 175.7 | -57 | -68.8 | 0 | 0 | 0 | 114.6 | H1441 E1446 I1448 V1453 I1465 I1482 V1511 D1512 | H1441-Y1516 PolarHBondContact CD2-OH 3.34Å; H1441-Y1516 VanDerWaalsContact CD2-OH 3.31Å; E1446-Y1516 PolarHBondContact OE2-OH 3.23Å; I1448-Y1516 HydrophobicContact CD1-CE1 3.79Å; V1453-Y1516 HydrophobicContact CG1-CE2 4.19Å; V1453-Y1516 HydrophobicContact CG2-CE1 4.39Å; V1453-Y1516 HydrophobicContact CG2-CE2 4.28Å; I1465-Y1516 HydrophobicContact CD1-CD1 3.23Å; I1465-Y1516 HydrophobicContact CD1-CD2 4.07Å; I1465-Y1516 HydrophobicContact CD1-CE1 3.85Å; I1465-Y1516 HydrophobicContact CD1-CG 3.33Å; I1465-Y1516 HydrophobicContact CG1-CD1 4.4Å; I1465-Y1516 HydrophobicContact CG1-CG 4.09Å; I1482-Y1516 HydrophobicContact CD1-CD1 4.12Å; I1482-Y1516 HydrophobicContact CD1-CE1 3.86Å; V1511-Y1516 HydrophobicContact CG1-CD1 4.49Å; D1512-Y1516 WeakPolarHBondContact O-CA 3.35Å; D1512-Y1516 PolarHBondContact O-N 2.99Å | ||
| 1517 | S | 89.8 | Confident | 88.2 | Confident | 33 Ų | 33 | 41 Ų | 41 | 23% | 0.231 | 21% | 0.206 | C | C | . | . | trans | -81.5 | 134.5 | 172 | 58.7 | 0 | 0 | 0 | 0 | 111.9 | K1211 H1215 D1512 D1515 I1519 | K1211-S1517 WeakPolarHBondContact CE-OG 3.44Å; K1211-S1517 PolarHBondContact NZ-OG 2.89Å; H1215-S1517 PolarHBondContact CE1-OG 3.4Å; H1215-S1517 VanDerWaalsContact CE1-OG 3.32Å; D1512-S1517 PolarHBondContact N-O 3.15Å; D1515-S1517 PolarHBondContact O-N 2.85Å; D1515-S1517 VanDerWaalsContact O-N 3.13Å; D1515-S1517 WeakPolarHBondContact OD1-CB 3.39Å; D1515-S1517 PolarHBondContact OD1-N 3.29Å; D1515-S1517 PolarHBondContact OD1-OG 3.18Å; S1517-I1519 PolarHBondContact O-N 2.82Å | ||
| 1518 | L | 89.4 | Confident | 88.3 | Confident | 76 Ų | 76 | 40 Ų | 40 | 40% | 0.398 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 125.6 | 177.4 | -172.9 | 64.8 | 0 | 0 | 0 | 110.5 | P1467 R1509 V1511 A1520 | P1467-L1518 HydrophobicContact CB-CD1 3.74Å; P1467-L1518 HydrophobicContact CB-CD2 4.44Å; P1467-L1518 HydrophobicContact CG-CB 4.29Å; P1467-L1518 HydrophobicContact CG-CD1 4.19Å; P1467-L1518 HydrophobicContact CG-CD2 4.19Å; P1467-L1518 HydrophobicContact CG-CG 4.48Å; R1509-L1518 HydrophobicContact CB-CD1 4.38Å; V1511-L1518 HydrophobicContact CG2-CD1 3.95Å; L1518-A1520 VanDerWaalsContact CD1-O 3.24Å; L1518-A1520 WeakPolarHBondContact CD1-O 3.41Å |
| 1519 | I | 90.9 | Very high | 88 | Confident | 10 Ų | 10 | 41.2 Ų | 41.2 | 5% | 0.051 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | -50.5 | 175.7 | -61.8 | 172.1 | 0 | 0 | 0 | 109.4 | R1214 H1218 R1219 V1481 T1510 D1512 S1517 | R1214-I1519 HydrophobicContact CG-CD1 4.29Å; H1218-I1519 VanDerWaalsContact C-CG2 3.48Å; H1218-I1519 HydrophobicContact CB-CD1 4.32Å; H1218-I1519 HydrophobicContact CB-CG2 4.22Å; H1218-I1519 WeakPolarHBondContact O-CG2 3.44Å; R1219-I1519 HydrophobicContact CB-CG2 3.83Å; R1219-I1519 WeakPolarHBondContact CD-O 3.33Å; V1481-I1519 HydrophobicContact CG1-CD1 4.25Å; V1481-I1519 HydrophobicContact CG2-CD1 3.95Å; T1510-I1519 WeakPolarHBondContact O-CA 3.29Å; T1510-I1519 WeakPolarHBondContact O-CB 3.35Å; T1510-I1519 PolarHBondContact O-N 2.83Å; D1512-I1519 HydrophobicContact CB-CD1 4.11Å; D1512-I1519 HydrophobicContact CB-CG1 4.27Å; S1517-I1519 PolarHBondContact O-N 2.82Å |
| 1520 | A | 90.9 | Very high | 87.9 | Confident | 12 Ų | 12 | 40 Ų | 40 | 10% | 0.099 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 169.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | R1219 T1510 L1518 V1522 | R1219-A1520 HydrophobicContact CB-CB 4.3Å; R1219-A1520 HydrophobicContact CG-CB 4.1Å; T1510-A1520 PolarHBondContact N-O 3.24Å; T1510-A1520 PolarHBondContact O-N 3.03Å; T1510-A1520 WeakPolarHBondContact OG1-CB 3.39Å; T1510-A1520 PolarHBondContact OG1-N 3.43Å; L1518-A1520 VanDerWaalsContact CD1-O 3.24Å; L1518-A1520 WeakPolarHBondContact CD1-O 3.41Å; A1520-V1522 HydrophobicContact CB-CG2 4.44Å |
| 1521 | S | 90 | Very high | 87.8 | Confident | 48 Ų | 48 | 40.1 Ų | 40.1 | 34% | 0.336 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 132.4 | 160.9 | -58 | 0 | 0 | 0 | 0 | 106.1 | F1508 R1509 | F1508-S1521 WeakPolarHBondContact O-CA 3.46Å; R1509-S1521 WeakPolarHBondContact CG-OG 3.45Å; R1509-S1521 PolarHBondContact NH1-OG 2.86Å |
| 1522 | V | 88.8 | Confident | 87.8 | Confident | 32 Ų | 32 | 40.3 Ų | 40.3 | 19% | 0.194 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 104.8 | -168.5 | -178.2 | 0 | 0 | 0 | 0 | 106.9 | F1221 M1507 F1508 A1520 | F1221-V1522 HydrophobicContact CD2-CG2 3.75Å; F1221-V1522 HydrophobicContact CE2-CG2 3.81Å; M1507-V1522 VanDerWaalsContact CA-O 3.23Å; M1507-V1522 WeakPolarHBondContact CA-O 3.45Å; M1507-V1522 VanDerWaalsContact CB-O 3.23Å; M1507-V1522 WeakPolarHBondContact CB-O 3.11Å; F1508-V1522 HydrophobicContact CD1-CB 4.03Å; F1508-V1522 HydrophobicContact CD1-CG1 4.33Å; F1508-V1522 HydrophobicContact CD2-CB 4.49Å; F1508-V1522 HydrophobicContact CE1-CB 3.56Å; F1508-V1522 HydrophobicContact CE1-CG1 3.53Å; F1508-V1522 HydrophobicContact CE1-CG2 4.29Å; F1508-V1522 HydrophobicContact CE2-CB 4.08Å; F1508-V1522 HydrophobicContact CE2-CG2 4.01Å; F1508-V1522 HydrophobicContact CG-CB 4.47Å; F1508-V1522 HydrophobicContact CZ-CB 3.6Å; F1508-V1522 HydrophobicContact CZ-CG1 3.74Å; F1508-V1522 HydrophobicContact CZ-CG2 3.79Å; F1508-V1522 PolarHBondContact N-O 3.06Å; F1508-V1522 PolarHBondContact O-N 2.98Å; A1520-V1522 HydrophobicContact CB-CG2 4.44Å |
| 1523 | D | 86 | Confident | 87.8 | Confident | 102 Ų | 102 | 41.6 Ų | 41.6 | 55% | 0.545 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 136.7 | 170.8 | -154.7 | -52.5 | 0 | 0 | 0 | 109.4 | R1525 | D1523-R1525 PolarHBondContact OD1-N 3.42Å |
| 1524 | V | 82.5 | Confident | 87.7 | Confident | 8 Ų | 8 | 42 Ų | 42 | 5% | 0.048 | 21% | 0.214 | C | C | . | . | trans | -109.8 | -6.6 | -173.8 | -178.1 | 0 | 0 | 0 | 0 | 111.1 | N1506 F1508 H1526 I1528 L1542 E1544 | N1506-V1524 PolarHBondContact O-N 3.34Å; F1508-V1524 HydrophobicContact CD1-CG2 3.88Å; F1508-V1524 HydrophobicContact CE1-CG2 4.11Å; V1524-H1526 HydrophobicContact CG1-CB 4.48Å; V1524-H1526 PolarHBondContact O-N 3.06Å; V1524-I1528 HydrophobicContact CB-CD1 4.32Å; V1524-I1528 HydrophobicContact CB-CG1 4.39Å; V1524-I1528 HydrophobicContact CG1-CG1 4.41Å; V1524-I1528 HydrophobicContact CG2-CD1 3.79Å; V1524-I1528 HydrophobicContact CG2-CG1 4.36Å; V1524-L1542 HydrophobicContact CG1-CD1 4.45Å; V1524-L1542 HydrophobicContact CG2-CD1 4.03Å; V1524-E1544 VanDerWaalsContact CG1-CD 3.45Å; V1524-E1544 HydrophobicContact CG1-CG 3.74Å; V1524-E1544 WeakPolarHBondContact CG1-OE1 3.2Å | ||
| 1525 | R | 80 | Confident | 87.6 | Confident | 169 Ų | 169 | 38.3 Ų | 38.3 | 64% | 0.638 | 20% | 0.197 | S | C | * | . | S | Bend | trans | 62.5 | -50.8 | -163 | -57.4 | -176 | 178.4 | 179.8 | -0.1 | 112.1 | N1506 D1523 D1575 | N1506-R1525 PolarHBondContact ND2-O 2.95Å; D1523-R1525 PolarHBondContact OD1-N 3.42Å; R1525-D1575 IonicContact CZ-OD1 3.8Å; R1525-D1575 IonicContact CZ-OD2 3.51Å; R1525-D1575 IonicContact NH1-OD1 2.59Å; R1525-D1575 PolarHBondContact NH1-OD1 3.12Å; R1525-D1575 IonicContact NH2-OD1 2.79Å; R1525-D1575 PolarHBondContact NH2-OD1 2.81Å; R1525-D1575 IonicContact NH2-OD2 2.66Å; R1525-D1575 PolarHBondContact NH2-OD2 3.34Å |
| 1526 | H | 83 | Confident | 87.5 | Confident | 48 Ų | 48 | 36.9 Ų | 36.9 | 22% | 0.222 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -85.4 | 153.1 | -177.5 | -51.2 | 130.9 | 0 | 0 | 0 | 114.7 | N1506 V1524 E1544 K1545 | N1506-H1526 WeakPolarHBondContact CB-O 3.44Å; V1524-H1526 HydrophobicContact CG1-CB 4.48Å; V1524-H1526 PolarHBondContact O-N 3.06Å; H1526-E1544 HydrophobicContact CB-CB 3.96Å; H1526-E1544 HydrophobicContact CB-CG 4.43Å; H1526-E1544 IonicContact CE1-OE2 3.34Å; H1526-E1544 IonicContact CG-OE2 3.04Å; H1526-E1544 IonicContact ND1-OE2 2.86Å; H1526-E1544 PolarHBondContact ND1-OE2 2.99Å; H1526-K1545 WeakPolarHBondContact CB-O 3.42Å |
| 1527 | R | 81 | Confident | 87.2 | Confident | 12 Ų | 12 | 36.8 Ų | 36.8 | 5% | 0.045 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 143.2 | 168.9 | 173.6 | 176.8 | 166.6 | 179.4 | -4.4 | 110.4 | L1489 D1491 Y1494 N1506 E1529 E1544 K1545 E1548 | L1489-R1527 PolarHBondContact O-NH2 3.41Å; D1491-R1527 IonicContact OD1-CZ 3.88Å; D1491-R1527 IonicContact OD1-NH1 2.71Å; D1491-R1527 PolarHBondContact OD1-NH1 3.34Å; D1491-R1527 IonicContact OD1-NH2 3.28Å; D1491-R1527 PolarHBondContact OD1-NH2 3.08Å; Y1494-R1527 HydrophobicContact CE2-CG 4.27Å; N1506-R1527 PolarHBondContact ND2-N 3.05Å; R1527-E1529 WeakPolarHBondContact CD-OE1 3.47Å; R1527-E1529 WeakPolarHBondContact CG-OE1 3.44Å; R1527-E1529 IonicContact CZ-OE1 2.72Å; R1527-E1529 IonicContact NE-OE1 3.39Å; R1527-E1529 PolarHBondContact NE-OE1 3.24Å; R1527-E1529 IonicContact NH2-OE1 3.53Å; R1527-E1544 CarbonylContact O-C 3.57Å; R1527-E1544 VanDerWaalsContact O-CA 3.31Å; R1527-E1544 WeakPolarHBondContact O-CA 3.26Å; R1527-K1545 HydrophobicContact CB-CB 4.4Å; R1527-K1545 PolarHBondContact O-N 2.94Å; R1527-E1548 WeakPolarHBondContact CD-OE1 3.48Å; R1527-E1548 IonicContact CZ-OE1 2.9Å; R1527-E1548 IonicContact NE-OE1 2.73Å; R1527-E1548 IonicContact NH1-OE1 2.69Å; R1527-E1548 PolarHBondContact NH1-OE1 3.01Å |
| 1528 | I | 87.4 | Confident | 87 | Confident | 10 Ų | 10 | 41.6 Ų | 41.6 | 5% | 0.051 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 110.6 | -174.5 | -46.5 | 172.2 | 0 | 0 | 0 | 109.5 | F1487 F1508 V1524 L1542 V1543 | F1487-I1528 HydrophobicContact CD1-CB 4.22Å; F1487-I1528 HydrophobicContact CD1-CG2 3.89Å; F1487-I1528 HydrophobicContact CE1-CB 4.19Å; F1487-I1528 HydrophobicContact CE1-CG2 3.78Å; F1508-I1528 HydrophobicContact CB-CD1 4.38Å; F1508-I1528 HydrophobicContact CD1-CD1 4.42Å; V1524-I1528 HydrophobicContact CB-CD1 4.32Å; V1524-I1528 HydrophobicContact CB-CG1 4.39Å; V1524-I1528 HydrophobicContact CG1-CG1 4.41Å; V1524-I1528 HydrophobicContact CG2-CD1 3.79Å; V1524-I1528 HydrophobicContact CG2-CG1 4.36Å; I1528-L1542 HydrophobicContact CG2-CB 4.41Å; I1528-L1542 HydrophobicContact CG2-CD2 4.21Å; I1528-V1543 CarbonylContact C-O 3.49Å; I1528-V1543 WeakPolarHBondContact CA-O 3.35Å |
| 1529 | E | 85.8 | Confident | 87 | Confident | 24 Ų | 24 | 39 Ų | 39 | 11% | 0.112 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | -47.4 | -179.2 | -68 | -50.5 | 138.7 | 0 | 0 | 112.3 | F1487 G1488 R1527 V1543 K1545 | F1487-E1529 CarbonylContact C-O 3.54Å; F1487-E1529 WeakPolarHBondContact CA-O 3.38Å; F1487-E1529 WeakPolarHBondContact CB-O 3.38Å; G1488-E1529 PolarHBondContact N-O 2.81Å; R1527-E1529 WeakPolarHBondContact CD-OE1 3.47Å; R1527-E1529 WeakPolarHBondContact CG-OE1 3.44Å; R1527-E1529 IonicContact CZ-OE1 2.72Å; R1527-E1529 IonicContact NE-OE1 3.39Å; R1527-E1529 PolarHBondContact NE-OE1 3.24Å; R1527-E1529 IonicContact NH2-OE1 3.53Å; E1529-V1543 HydrophobicContact CB-CB 4.29Å; E1529-V1543 HydrophobicContact CB-CG1 4.08Å; E1529-V1543 PolarHBondContact N-O 2.86Å; E1529-K1545 HydrophobicContact CG-CB 4.47Å |
| 1530 | Q | 89.4 | Confident | 87 | Confident | 24 Ų | 24 | 38.6 Ų | 38.6 | 11% | 0.112 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 146 | 173.9 | -141.6 | -153.5 | -62.4 | 0 | 0 | 113.1 | C1238 L1542 V1543 | C1238-Q1530 PolarHBondContact O-NE2 3.49Å; C1238-Q1530 PolarHBondContact O-OE1 3.12Å; Q1530-L1542 WeakPolarHBondContact O-CA 3.33Å; Q1530-V1543 PolarHBondContact O-N 3.46Å |
| 1531 | L | 92.2 | Very high | 87.1 | Confident | 4 Ų | 4 | 38 Ų | 38 | 2% | 0.021 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 136.4 | 170.3 | -168.7 | 152.2 | 0 | 0 | 0 | 109.7 | Q1474 F1487 F1508 L1533 L1540 L1542 | Q1474-L1531 PolarHBondContact OE1-O 3.17Å; F1487-L1531 HydrophobicContact CD1-CB 4.25Å; F1487-L1531 HydrophobicContact CE1-CB 3.71Å; F1487-L1531 HydrophobicContact CE1-CD1 4.15Å; F1487-L1531 HydrophobicContact CE2-CB 4.14Å; F1487-L1531 HydrophobicContact CZ-CB 3.63Å; F1487-L1531 HydrophobicContact CZ-CD1 3.69Å; F1487-L1531 HydrophobicContact CZ-CG 4.27Å; F1508-L1531 HydrophobicContact CB-CD1 4.1Å; F1508-L1531 HydrophobicContact CD2-CD1 4.48Å; F1508-L1531 HydrophobicContact CG-CD1 4.27Å; L1531-L1533 HydrophobicContact CD2-CD1 4.47Å; L1531-L1533 HydrophobicContact CD2-CD2 4.22Å; L1531-L1533 HydrophobicContact CD2-CG 3.97Å; L1531-L1540 HydrophobicContact CD1-CD1 4Å; L1531-L1540 HydrophobicContact CD2-CD1 3.64Å; L1531-L1540 HydrophobicContact CG-CD1 3.65Å; L1531-L1542 HydrophobicContact CB-CD2 4Å; L1531-L1542 HydrophobicContact CD1-CD2 3.58Å; L1531-L1542 HydrophobicContact CG-CD2 3.55Å |
| 1532 | A | 91.6 | Very high | 87.2 | Confident | 4 Ų | 4 | 35.7 Ų | 35.7 | 3% | 0.033 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 145.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | C1238 F1240 L1540 A1541 | C1238-A1532 VanDerWaalsContact SG-CB 3.56Å; F1240-A1532 HydrophobicContact CD2-CB 4.07Å; F1240-A1532 HydrophobicContact CE2-CB 4.37Å; A1532-L1540 WeakPolarHBondContact O-CA 3.26Å; A1532-A1541 HydrophobicContact CB-CB 4.43Å; A1532-A1541 PolarHBondContact N-O 3.32Å; A1532-A1541 PolarHBondContact O-N 3.28Å |
| 1533 | L | 91.3 | Very high | 87.3 | Confident | 28 Ų | 28 | 34.2 Ų | 34.2 | 15% | 0.147 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 133.7 | -179.5 | -64.9 | 169 | 0 | 0 | 0 | 109.9 | F1240 Q1474 N1476 Y1483 L1531 L1540 | F1240-L1533 VanDerWaalsContact CD2-C 3.44Å; Q1474-L1533 HydrophobicContact CG-CD1 4.34Å; N1476-L1533 HydrophobicContact CB-CD1 4.45Å; Y1483-L1533 HydrophobicContact CD1-CD2 4.18Å; Y1483-L1533 HydrophobicContact CD2-CD1 3.46Å; Y1483-L1533 VanDerWaalsContact CD2-CD1 3.46Å; Y1483-L1533 HydrophobicContact CD2-CD2 3.84Å; Y1483-L1533 HydrophobicContact CD2-CG 4.28Å; Y1483-L1533 HydrophobicContact CE1-CD2 4.01Å; Y1483-L1533 HydrophobicContact CE2-CD1 3.85Å; Y1483-L1533 HydrophobicContact CE2-CD2 3.62Å; Y1483-L1533 HydrophobicContact CE2-CG 4.42Å; Y1483-L1533 HydrophobicContact CG-CD1 4.03Å; Y1483-L1533 HydrophobicContact CG-CD2 4.1Å; L1531-L1533 HydrophobicContact CD2-CD1 4.47Å; L1531-L1533 HydrophobicContact CD2-CD2 4.22Å; L1531-L1533 HydrophobicContact CD2-CG 3.97Å; L1533-L1540 HydrophobicContact CD2-CB 4.34Å; L1533-L1540 HydrophobicContact CD2-CD1 3.71Å |
| 1534 | D | 88.8 | Confident | 87.4 | Confident | 10 Ų | 10 | 29.3 Ų | 29.3 | 5% | 0.053 | 15% | 0.152 | C | C | . | . | trans | -70.4 | 152.9 | 173.9 | 128.8 | 68.7 | 0 | 0 | 0 | 111.2 | F1240 A1536 G1537 Q1538 S1539 | F1240-D1534 HydrophobicContact CB-CB 4.43Å; F1240-D1534 HydrophobicContact CD1-CB 3.93Å; F1240-D1534 HydrophobicContact CD2-CB 4Å; F1240-D1534 HydrophobicContact CE1-CB 4.13Å; F1240-D1534 HydrophobicContact CE2-CB 4.18Å; F1240-D1534 HydrophobicContact CG-CB 3.86Å; F1240-D1534 HydrophobicContact CZ-CB 4.25Å; D1534-A1536 WeakPolarHBondContact OD1-CB 3.3Å; D1534-A1536 PolarHBondContact OD1-N 3.36Å; D1534-G1537 PolarHBondContact O-N 3.11Å; D1534-G1537 VanDerWaalsContact O-N 3.1Å; D1534-G1537 PolarHBondContact OD2-N 2.75Å; D1534-Q1538 WeakPolarHBondContact OD2-CA 3.48Å; D1534-Q1538 PolarHBondContact OD2-N 3.46Å; D1534-S1539 PolarHBondContact N-O 3.26Å; D1534-S1539 VanDerWaalsContact N-O 3.14Å; D1534-S1539 PolarHBondContact OD2-N 2.86Å | ||
| 1535 | T | 86 | Confident | 87.5 | Confident | 46 Ų | 46 | 29.9 Ų | 29.9 | 28% | 0.282 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -22.5 | -173.7 | 89.9 | 0 | 0 | 0 | 0 | 113.7 | D1244 A1477 G1537 | D1244-T1535 VanDerWaalsContact CG-OG1 3.26Å; D1244-T1535 VanDerWaalsContact OD1-CB 3.28Å; D1244-T1535 WeakPolarHBondContact OD1-CB 3.28Å; D1244-T1535 WeakPolarHBondContact OD1-CG2 3.47Å; D1244-T1535 PolarHBondContact OD1-N 3.48Å; D1244-T1535 PolarHBondContact OD1-OG1 3.4Å; D1244-T1535 PolarHBondContact OD2-OG1 3.36Å; D1244-T1535 VanDerWaalsContact OD2-OG1 3.07Å; A1477-T1535 WeakPolarHBondContact CB-O 3.44Å; T1535-G1537 PolarHBondContact O-N 3.44Å |
| 1536 | A | 83.2 | Confident | 87.4 | Confident | 51 Ų | 51 | 24.1 Ų | 24.1 | 42% | 0.421 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -15.4 | 165.8 | 0 | 0 | 0 | 0 | 0 | 113 | D1244 D1534 Q1538 | D1244-A1536 PolarHBondContact OD2-N 2.72Å; D1534-A1536 WeakPolarHBondContact OD1-CB 3.3Å; D1534-A1536 PolarHBondContact OD1-N 3.36Å; A1536-Q1538 VanDerWaalsContact C-N 3.29Å; A1536-Q1538 HydrophobicContact CB-CG 4.02Å; A1536-Q1538 PolarHBondContact O-N 2.61Å |
| 1537 | G | 83 | Confident | 86.5 | Confident | 21 Ų | 21 | 23 Ų | 23 | 22% | 0.216 | 14% | 0.136 | C | C | . | . | S | Bend | trans | 69.9 | 22.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | D1534 T1535 I1563 | D1534-G1537 PolarHBondContact O-N 3.11Å; D1534-G1537 VanDerWaalsContact O-N 3.1Å; D1534-G1537 PolarHBondContact OD2-N 2.75Å; T1535-G1537 PolarHBondContact O-N 3.44Å; G1537-I1563 WeakPolarHBondContact O-CD1 3.28Å |
| 1538 | Q | 85.3 | Confident | 85.4 | Confident | 134 Ų | 134 | 26.4 Ų | 26.4 | 63% | 0.626 | 15% | 0.153 | S | C | * | . | S | Bend | trans | -93.4 | -30.8 | 178.1 | -60.7 | -173.1 | 89.3 | 0 | 0 | 112.3 | D1534 A1536 I1563 | D1534-Q1538 WeakPolarHBondContact OD2-CA 3.48Å; D1534-Q1538 PolarHBondContact OD2-N 3.46Å; A1536-Q1538 VanDerWaalsContact C-N 3.29Å; A1536-Q1538 HydrophobicContact CB-CG 4.02Å; A1536-Q1538 PolarHBondContact O-N 2.61Å; Q1538-I1563 WeakPolarHBondContact O-CB 3.13Å; Q1538-I1563 PolarHBondContact O-N 2.72Å |
| 1539 | S | 89.2 | Confident | 83.8 | Confident | 23 Ų | 23 | 33.3 Ų | 33.3 | 16% | 0.161 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 151.1 | -177.5 | -65.2 | 0 | 0 | 0 | 0 | 113.7 | D1534 Y1561 | D1534-S1539 PolarHBondContact N-O 3.26Å; D1534-S1539 VanDerWaalsContact N-O 3.14Å; D1534-S1539 PolarHBondContact OD2-N 2.86Å; S1539-Y1561 WeakPolarHBondContact CA-O 3.45Å |
| 1540 | L | 92.2 | Very high | 81.8 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 127.3 | 176.9 | 162.5 | 71 | 0 | 0 | 0 | 107.4 | F1221 Y1483 F1508 L1531 A1532 L1533 L1542 I1560 Y1561 I1563 | F1221-L1540 HydrophobicContact CD1-CD2 3.8Å; F1221-L1540 HydrophobicContact CE1-CD2 4.03Å; Y1483-L1540 HydrophobicContact CD1-CD1 4.43Å; Y1483-L1540 HydrophobicContact CE1-CD1 4.42Å; Y1483-L1540 HydrophobicContact CE1-CD2 4.27Å; F1508-L1540 HydrophobicContact CE1-CD2 4.35Å; F1508-L1540 HydrophobicContact CE2-CD2 3.87Å; F1508-L1540 HydrophobicContact CZ-CD2 3.63Å; L1531-L1540 HydrophobicContact CD1-CD1 4Å; L1531-L1540 HydrophobicContact CD2-CD1 3.64Å; L1531-L1540 HydrophobicContact CG-CD1 3.65Å; A1532-L1540 WeakPolarHBondContact O-CA 3.26Å; L1533-L1540 HydrophobicContact CD2-CB 4.34Å; L1533-L1540 HydrophobicContact CD2-CD1 3.71Å; L1540-L1542 HydrophobicContact CD1-CD2 4.03Å; L1540-L1542 HydrophobicContact CG-CD2 4.37Å; L1540-I1560 CarbonylContact O-C 3.05Å; L1540-I1560 WeakPolarHBondContact O-CA 3.25Å; L1540-Y1561 HydrophobicContact CD2-CD2 4.44Å; L1540-Y1561 PolarHBondContact N-O 2.84Å; L1540-Y1561 PolarHBondContact O-N 3.08Å; L1540-I1563 HydrophobicContact CB-CD1 4.23Å; L1540-I1563 HydrophobicContact CB-CG1 4.22Å |
| 1541 | A | 92.3 | Very high | 79.9 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 136.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | F1240 L1247 A1532 I1560 | F1240-A1541 HydrophobicContact CE2-CB 3.65Å; F1240-A1541 HydrophobicContact CZ-CB 3.86Å; L1247-A1541 HydrophobicContact CD1-CB 4.18Å; L1247-A1541 HydrophobicContact CD2-CB 4.23Å; A1532-A1541 HydrophobicContact CB-CB 4.43Å; A1532-A1541 PolarHBondContact N-O 3.32Å; A1532-A1541 PolarHBondContact O-N 3.28Å; A1541-I1560 HydrophobicContact CB-CG1 4.37Å |
| 1542 | L | 92 | Very high | 78.1 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 132.3 | 172.2 | -58.1 | -175.5 | 0 | 0 | 0 | 108.9 | F1508 V1524 I1528 Q1530 L1531 L1540 E1544 C1558 R1559 Y1561 | F1508-L1542 HydrophobicContact CD1-CD1 3.88Å; F1508-L1542 HydrophobicContact CE1-CD1 3.71Å; V1524-L1542 HydrophobicContact CG1-CD1 4.45Å; V1524-L1542 HydrophobicContact CG2-CD1 4.03Å; I1528-L1542 HydrophobicContact CG2-CB 4.41Å; I1528-L1542 HydrophobicContact CG2-CD2 4.21Å; Q1530-L1542 WeakPolarHBondContact O-CA 3.33Å; L1531-L1542 HydrophobicContact CB-CD2 4Å; L1531-L1542 HydrophobicContact CD1-CD2 3.58Å; L1531-L1542 HydrophobicContact CG-CD2 3.55Å; L1540-L1542 HydrophobicContact CD1-CD2 4.03Å; L1540-L1542 HydrophobicContact CG-CD2 4.37Å; L1542-E1544 HydrophobicContact CB-CG 4.35Å; L1542-C1558 CarbonylContact O-C 3.58Å; L1542-C1558 VanDerWaalsContact O-CA 3.31Å; L1542-C1558 WeakPolarHBondContact O-CA 3.48Å; L1542-R1559 PolarHBondContact N-O 3.31Å; L1542-R1559 PolarHBondContact O-N 3.29Å; L1542-Y1561 HydrophobicContact CB-CE2 4.43Å; L1542-Y1561 HydrophobicContact CD1-CD2 4.37Å; L1542-Y1561 HydrophobicContact CD1-CE2 3.6Å; L1542-Y1561 HydrophobicContact CG-CD2 4.34Å; L1542-Y1561 HydrophobicContact CG-CE2 3.93Å |
| 1543 | V | 91.2 | Very high | 76.8 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 121.5 | 162.1 | -178.2 | 0 | 0 | 0 | 0 | 107.6 | L1235 C1238 I1528 E1529 Q1530 Q1557 C1558 | L1235-V1543 HydrophobicContact CB-CG1 4.19Å; L1235-V1543 VanDerWaalsContact O-CG1 3.23Å; L1235-V1543 WeakPolarHBondContact O-CG1 3.48Å; C1238-V1543 HydrophobicContact CB-CG2 3.98Å; I1528-V1543 CarbonylContact C-O 3.49Å; I1528-V1543 WeakPolarHBondContact CA-O 3.35Å; E1529-V1543 HydrophobicContact CB-CB 4.29Å; E1529-V1543 HydrophobicContact CB-CG1 4.08Å; E1529-V1543 PolarHBondContact N-O 2.86Å; Q1530-V1543 PolarHBondContact O-N 3.46Å; V1543-Q1557 WeakPolarHBondContact CA-O 3.4Å; V1543-C1558 HydrophobicContact CG2-CB 4.44Å |
| 1544 | E | 88.7 | Confident | 75.8 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 132.4 | -176.4 | -64.5 | 176.4 | -164.9 | 0 | 0 | 110.4 | V1524 H1526 R1527 L1542 T1556 Q1557 R1559 Y1561 | V1524-E1544 VanDerWaalsContact CG1-CD 3.45Å; V1524-E1544 HydrophobicContact CG1-CG 3.74Å; V1524-E1544 WeakPolarHBondContact CG1-OE1 3.2Å; H1526-E1544 HydrophobicContact CB-CB 3.96Å; H1526-E1544 HydrophobicContact CB-CG 4.43Å; H1526-E1544 IonicContact CE1-OE2 3.34Å; H1526-E1544 IonicContact CG-OE2 3.04Å; H1526-E1544 IonicContact ND1-OE2 2.86Å; H1526-E1544 PolarHBondContact ND1-OE2 2.99Å; R1527-E1544 CarbonylContact O-C 3.57Å; R1527-E1544 VanDerWaalsContact O-CA 3.31Å; R1527-E1544 WeakPolarHBondContact O-CA 3.26Å; L1542-E1544 HydrophobicContact CB-CG 4.35Å; E1544-T1556 CarbonylContact O-C 3.52Å; E1544-T1556 WeakPolarHBondContact O-CA 3.38Å; E1544-T1556 WeakPolarHBondContact O-CB 3.45Å; E1544-Q1557 HydrophobicContact CB-CG 4.09Å; E1544-Q1557 PolarHBondContact N-O 2.72Å; E1544-Q1557 PolarHBondContact O-N 3Å; E1544-Q1557 PolarHBondContact OE2-NE2 3.45Å; E1544-R1559 VanDerWaalsContact OE1-CD 3.3Å; E1544-R1559 WeakPolarHBondContact OE1-CD 3.49Å; E1544-R1559 IonicContact OE1-CZ 3.45Å; E1544-R1559 VanDerWaalsContact OE1-CZ 3.25Å; E1544-R1559 IonicContact OE1-NE 3.85Å; E1544-R1559 PolarHBondContact OE1-NE 3.21Å; E1544-R1559 IonicContact OE1-NH1 3.98Å; E1544-R1559 PolarHBondContact OE1-NH1 3.03Å; E1544-R1559 IonicContact OE2-CZ 3.83Å; E1544-R1559 IonicContact OE2-NE 3.99Å; E1544-R1559 IonicContact OE2-NH1 3.53Å; E1544-R1559 PolarHBondContact OE2-NH1 2.77Å; E1544-R1559 IonicContact OE2-NH2 3.52Å; E1544-R1559 PolarHBondContact OE2-NH2 3.41Å; E1544-Y1561 PolarHBondContact OE1-OH 3.12Å |
| 1545 | K | 83.5 | Confident | 75.4 | Confident | 20 Ų | 20 | 60.3 Ų | 60.3 | 9% | 0.087 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 121.9 | 173.9 | -174.7 | 175.3 | -179.8 | 174.2 | 0 | 110.4 | D1491 H1526 R1527 E1529 T1556 | D1491-K1545 IonicContact OD1-NZ 2.7Å; D1491-K1545 PolarHBondContact OD1-NZ 3.19Å; D1491-K1545 IonicContact OD2-NZ 2.87Å; D1491-K1545 PolarHBondContact OD2-NZ 3.14Å; H1526-K1545 WeakPolarHBondContact CB-O 3.42Å; R1527-K1545 HydrophobicContact CB-CB 4.4Å; R1527-K1545 PolarHBondContact O-N 2.94Å; E1529-K1545 HydrophobicContact CG-CB 4.47Å; K1545-T1556 HydrophobicContact CB-CG2 4.09Å; K1545-T1556 HydrophobicContact CG-CG2 4.13Å |
| 1546 | I | 78.7 | Confident | 75.3 | Confident | 47 Ų | 47 | 58.5 Ų | 58.5 | 24% | 0.241 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 140.2 | -176 | -41.2 | 171.1 | 0 | 0 | 0 | 108.2 | P1554 I1555 Q1557 | I1546-P1554 CarbonylContact O-C 3.41Å; I1546-P1554 WeakPolarHBondContact O-CA 3.38Å; I1546-I1555 WeakPolarHBondContact CA-O 3.48Å; I1546-I1555 VanDerWaalsContact CB-O 3.25Å; I1546-I1555 WeakPolarHBondContact CB-O 3.21Å; I1546-I1555 WeakPolarHBondContact CG1-O 3.22Å; I1546-I1555 PolarHBondContact N-O 3.45Å; I1546-I1555 PolarHBondContact O-N 3.28Å; I1546-Q1557 HydrophobicContact CD1-CG 4.07Å |
| 1547 | G | 64.6 | Low | 75.5 | Confident | 24 Ų | 24 | 56.2 Ų | 56.2 | 25% | 0.247 | 32% | 0.319 | C | S | . | . | trans | 120.8 | -7.6 | 169.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | N1549 N1550 | G1547-N1549 PolarHBondContact O-N 3.12Å; G1547-N1550 PolarHBondContact O-N 3.42Å | ||
| 1548 | E | 56.1 | Low | 75.9 | Confident | 85 Ų | 85 | 55.2 Ų | 55.2 | 40% | 0.397 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -1.3 | -171.3 | -63.5 | -179.2 | 141.4 | 0 | 0 | 116.9 | R1527 | R1527-E1548 WeakPolarHBondContact CD-OE1 3.48Å; R1527-E1548 IonicContact CZ-OE1 2.9Å; R1527-E1548 IonicContact NE-OE1 2.73Å; R1527-E1548 IonicContact NH1-OE1 2.69Å; R1527-E1548 PolarHBondContact NH1-OE1 3.01Å |
| 1549 | N | 54.5 | Low | 76.2 | Confident | 155 Ų | 155 | 51.2 Ų | 51.2 | 83% | 0.829 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126.4 | -14.9 | -175.6 | -74.4 | -5.9 | 0 | 0 | 0 | 116.3 | G1547 | G1547-N1549 PolarHBondContact O-N 3.12Š|
| 1550 | N | 43.5 | Very low | 76.2 | Confident | 126 Ų | 126 | 50.3 Ų | 50.3 | 67% | 0.674 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -126.3 | 159.5 | -176.6 | -73.6 | 11.5 | 0 | 0 | 0 | 110.1 | G1547 S1552 | G1547-N1550 PolarHBondContact O-N 3.42Å; N1550-S1552 PolarHBondContact O-N 3.45Å |
| 1551 | S | 49.9 | Very low | 76.1 | Confident | 139 Ų | 139 | 51.2 Ų | 51.2 | 97% | 0.972 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -70.8 | 30.9 | -171.5 | 47.7 | 0 | 0 | 0 | 0 | 116.6 | ||
| 1552 | S | 55.1 | Low | 76 | Confident | 75 Ų | 75 | 53.1 Ų | 53.1 | 52% | 0.524 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -112.6 | 141.7 | 175.1 | 60.2 | 0 | 0 | 0 | 0 | 110.9 | N1550 | N1550-S1552 PolarHBondContact O-N 3.45Š|
| 1553 | E | 63.6 | Low | 75.9 | Confident | 159 Ų | 159 | 54.2 Ų | 54.2 | 74% | 0.743 | 30% | 0.299 | S | S | * | . | trans | -51.5 | 144.9 | 178.6 | -62.5 | 177.7 | 143.1 | 0 | 0 | 112.9 | I1555 | E1553-I1555 PolarHBondContact O-N 2.93Š| ||
| 1554 | P | 69.8 | Low | 75.6 | Confident | 59 Ų | 59 | 54.9 Ų | 54.9 | 38% | 0.383 | 31% | 0.306 | S | S | . | . | trans | -71 | 115 | -174.4 | 27.8 | -34.4 | 0 | 0 | 0 | 111.8 | M1234 I1546 | M1234-P1554 HydrophobicContact SD-CB 4.29Å; M1234-P1554 HydrophobicContact SD-CG 4.12Å; I1546-P1554 CarbonylContact O-C 3.41Å; I1546-P1554 WeakPolarHBondContact O-CA 3.38Å | ||
| 1555 | I | 80.2 | Confident | 75.3 | Confident | 102 Ų | 102 | 61.4 Ų | 61.4 | 52% | 0.523 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 132.5 | 178.8 | -60.7 | 170.7 | 0 | 0 | 0 | 109.2 | I1546 E1553 | I1546-I1555 WeakPolarHBondContact CA-O 3.48Å; I1546-I1555 VanDerWaalsContact CB-O 3.25Å; I1546-I1555 WeakPolarHBondContact CB-O 3.21Å; I1546-I1555 WeakPolarHBondContact CG1-O 3.22Å; I1546-I1555 PolarHBondContact N-O 3.45Å; I1546-I1555 PolarHBondContact O-N 3.28Å; E1553-I1555 PolarHBondContact O-N 2.93Å |
| 1556 | T | 85.3 | Confident | 74.9 | Confident | 9 Ų | 9 | 66.3 Ų | 66.3 | 6% | 0.055 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 154.8 | 172 | 66.7 | 0 | 0 | 0 | 0 | 112.4 | M1234 L1235 E1544 K1545 | M1234-T1556 WeakPolarHBondContact CA-OG1 3.42Å; M1234-T1556 HydrophobicContact CB-CG2 3.93Å; M1234-T1556 HydrophobicContact CG-CG2 4.04Å; M1234-T1556 HydrophobicContact SD-CG2 4.07Å; L1235-T1556 WeakPolarHBondContact CA-OG1 3.37Å; L1235-T1556 WeakPolarHBondContact CB-OG1 3.22Å; L1235-T1556 PolarHBondContact N-OG1 2.79Å; L1235-T1556 VanDerWaalsContact O-CB 3.25Å; L1235-T1556 WeakPolarHBondContact O-CB 3.35Å; L1235-T1556 WeakPolarHBondContact O-CG2 3.47Å; L1235-T1556 PolarHBondContact O-OG1 2.98Å; E1544-T1556 CarbonylContact O-C 3.52Å; E1544-T1556 WeakPolarHBondContact O-CA 3.38Å; E1544-T1556 WeakPolarHBondContact O-CB 3.45Å; K1545-T1556 HydrophobicContact CB-CG2 4.09Å; K1545-T1556 HydrophobicContact CG-CG2 4.13Å |
| 1557 | Q | 87.6 | Confident | 74.5 | Confident | 3 Ų | 3 | 69.7 Ų | 69.7 | 1% | 0.014 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 143.9 | 176.1 | 70.8 | -170.2 | -8.3 | 0 | 0 | 111.2 | V1226 R1228 V1543 E1544 I1546 | V1226-Q1557 HydrophobicContact CG1-CB 3.93Å; V1226-Q1557 HydrophobicContact CG1-CG 4.12Å; R1228-Q1557 HydrophobicContact CG-CB 3.93Å; V1543-Q1557 WeakPolarHBondContact CA-O 3.4Å; E1544-Q1557 HydrophobicContact CB-CG 4.09Å; E1544-Q1557 PolarHBondContact N-O 2.72Å; E1544-Q1557 PolarHBondContact O-N 3Å; E1544-Q1557 PolarHBondContact OE2-NE2 3.45Å; I1546-Q1557 HydrophobicContact CD1-CG 4.07Å |
| 1558 | C | 90.9 | Very high | 74 | Confident | 0 Ų | 0 | 70.8 Ų | 70.8 | 0% | 0 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 109.3 | 169.4 | -170.6 | 0 | 0 | 0 | 0 | 110.6 | I1227 L1235 L1249 L1542 V1543 | I1227-C1558 HydrophobicContact CB-CB 4.31Å; I1227-C1558 PolarHBondContact N-O 3.13Å; I1227-C1558 PolarHBondContact O-N 3.12Å; L1235-C1558 HydrophobicContact CD1-CB 4.08Å; L1249-C1558 HydrophobicContact CD2-CB 3.95Å; L1542-C1558 CarbonylContact O-C 3.58Å; L1542-C1558 VanDerWaalsContact O-CA 3.31Å; L1542-C1558 WeakPolarHBondContact O-CA 3.48Å; V1543-C1558 HydrophobicContact CG2-CB 4.44Å |
| 1559 | R | 90.7 | Very high | 73.8 | Confident | 50 Ų | 50 | 74.7 Ų | 74.7 | 19% | 0.189 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 123.5 | 179.7 | -175.6 | 178.6 | -70.7 | 156.5 | -6.2 | 110.8 | P1223 V1226 L1542 E1544 Y1561 | P1223-R1559 HydrophobicContact CB-CG 4.37Å; V1226-R1559 HydrophobicContact CG2-CB 4.43Å; V1226-R1559 HydrophobicContact CG2-CG 4.07Å; L1542-R1559 PolarHBondContact N-O 3.31Å; L1542-R1559 PolarHBondContact O-N 3.29Å; E1544-R1559 VanDerWaalsContact OE1-CD 3.3Å; E1544-R1559 WeakPolarHBondContact OE1-CD 3.49Å; E1544-R1559 IonicContact OE1-CZ 3.45Å; E1544-R1559 VanDerWaalsContact OE1-CZ 3.25Å; E1544-R1559 IonicContact OE1-NE 3.85Å; E1544-R1559 PolarHBondContact OE1-NE 3.21Å; E1544-R1559 IonicContact OE1-NH1 3.98Å; E1544-R1559 PolarHBondContact OE1-NH1 3.03Å; E1544-R1559 IonicContact OE2-CZ 3.83Å; E1544-R1559 IonicContact OE2-NE 3.99Å; E1544-R1559 IonicContact OE2-NH1 3.53Å; E1544-R1559 PolarHBondContact OE2-NH1 2.77Å; E1544-R1559 IonicContact OE2-NH2 3.52Å; E1544-R1559 PolarHBondContact OE2-NH2 3.41Å; R1559-Y1561 HydrophobicContact CB-CE2 4.09Å; R1559-Y1561 VanDerWaalsContact CD-OH 3.23Å; R1559-Y1561 WeakPolarHBondContact CD-OH 3.42Å; R1559-Y1561 HydrophobicContact CG-CD2 4.13Å; R1559-Y1561 HydrophobicContact CG-CE2 3.59Å |
| 1560 | I | 90.3 | Very high | 73.2 | Confident | 4 Ų | 4 | 78.8 Ų | 78.8 | 2% | 0.021 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 127 | 179.2 | -58.1 | -179.2 | 0 | 0 | 0 | 109.7 | T1224 A1225 I1227 L1247 V1261 L1540 A1541 | T1224-I1560 PolarHBondContact N-O 2.97Å; A1225-I1560 PolarHBondContact N-O 3.09Å; A1225-I1560 PolarHBondContact O-N 3.48Å; I1227-I1560 HydrophobicContact CD1-CD1 3.72Å; I1227-I1560 HydrophobicContact CD1-CG1 4.37Å; L1247-I1560 HydrophobicContact CD2-CD1 4.06Å; L1247-I1560 HydrophobicContact CD2-CG1 4.5Å; V1261-I1560 HydrophobicContact CB-CD1 4.43Å; V1261-I1560 HydrophobicContact CG1-CD1 3.82Å; V1261-I1560 HydrophobicContact CG1-CG2 4.33Å; V1261-I1560 HydrophobicContact CG2-CD1 3.78Å; L1540-I1560 CarbonylContact O-C 3.05Å; L1540-I1560 WeakPolarHBondContact O-CA 3.25Å; A1541-I1560 HydrophobicContact CB-CG1 4.37Å |
| 1561 | Y | 90.6 | Very high | 73 | Confident | 19 Ų | 19 | 78.3 Ų | 78.3 | 8% | 0.075 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 130 | 178.7 | -63.7 | -102.9 | 0 | 0 | 0 | 111.7 | F1221 Q1222 P1223 S1539 L1540 L1542 E1544 R1559 | F1221-Y1561 HydrophobicContact CB-CD1 3.77Å; F1221-Y1561 HydrophobicContact CB-CE1 4.5Å; F1221-Y1561 HydrophobicContact CB-CG 4.32Å; Q1222-Y1561 CarbonylContact O-C 3.59Å; Q1222-Y1561 VanDerWaalsContact O-CA 3.23Å; Q1222-Y1561 WeakPolarHBondContact O-CA 3.36Å; P1223-Y1561 HydrophobicContact CB-CD1 4.17Å; P1223-Y1561 HydrophobicContact CB-CE1 4.2Å; S1539-Y1561 WeakPolarHBondContact CA-O 3.45Å; L1540-Y1561 HydrophobicContact CD2-CD2 4.44Å; L1540-Y1561 PolarHBondContact N-O 2.84Å; L1540-Y1561 PolarHBondContact O-N 3.08Å; L1542-Y1561 HydrophobicContact CB-CE2 4.43Å; L1542-Y1561 HydrophobicContact CD1-CD2 4.37Å; L1542-Y1561 HydrophobicContact CD1-CE2 3.6Å; L1542-Y1561 HydrophobicContact CG-CD2 4.34Å; L1542-Y1561 HydrophobicContact CG-CE2 3.93Å; E1544-Y1561 PolarHBondContact OE1-OH 3.12Å; R1559-Y1561 HydrophobicContact CB-CE2 4.09Å; R1559-Y1561 VanDerWaalsContact CD-OH 3.23Å; R1559-Y1561 WeakPolarHBondContact CD-OH 3.42Å; R1559-Y1561 HydrophobicContact CG-CD2 4.13Å; R1559-Y1561 HydrophobicContact CG-CE2 3.59Å |
| 1562 | M | 90.1 | Very high | 72.3 | Confident | 40 Ų | 40 | 76.3 Ų | 76.3 | 20% | 0.197 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 127.6 | 162.6 | -89.5 | -175.4 | -72.2 | 0 | 0 | 111.2 | F1221 Q1222 T1224 R1565 | F1221-M1562 WeakPolarHBondContact CA-O 3.07Å; Q1222-M1562 PolarHBondContact N-O 3.11Å; Q1222-M1562 PolarHBondContact O-N 2.88Å; T1224-M1562 HydrophobicContact CG2-CE 3.76Å; T1224-M1562 VanDerWaalsContact OG1-CE 3.26Å; T1224-M1562 WeakPolarHBondContact OG1-CE 3.41Å; T1224-M1562 WeakPolarHBondContact OG1-CG 3.48Å; T1224-M1562 PolarHBondContact OG1-N 3.27Å; M1562-R1565 HydrophobicContact CB-CG 4.46Å; M1562-R1565 PolarHBondContact SD-NE 3.26Å; M1562-R1565 PolarHBondContact SD-NH2 3.39Å |
| 1563 | I | 90.2 | Very high | 71.5 | Confident | 23 Ų | 23 | 76.9 Ų | 76.9 | 12% | 0.118 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 140.6 | 178.1 | -58.8 | 164.9 | 0 | 0 | 0 | 110 | F1221 Y1483 G1537 Q1538 L1540 R1565 | F1221-I1563 HydrophobicContact CD1-CG1 4.17Å; F1221-I1563 HydrophobicContact CE1-CG1 4.09Å; F1221-I1563 HydrophobicContact CE1-CG2 4.36Å; Y1483-I1563 WeakPolarHBondContact OH-CD1 3.23Å; G1537-I1563 WeakPolarHBondContact O-CD1 3.28Å; Q1538-I1563 WeakPolarHBondContact O-CB 3.13Å; Q1538-I1563 PolarHBondContact O-N 2.72Å; L1540-I1563 HydrophobicContact CB-CD1 4.23Å; L1540-I1563 HydrophobicContact CB-CG1 4.22Å; I1563-R1565 VanDerWaalsContact C-N 3.34Å; I1563-R1565 PolarHBondContact O-N 2.82Å |
| 1564 | G | 84.2 | Confident | 70.2 | Confident | 13 Ų | 13 | 75.3 Ų | 75.3 | 13% | 0.134 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 88.4 | -15.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | L1217 R1220 | L1217-G1564 WeakPolarHBondContact O-CA 3.46Å; L1217-G1564 PolarHBondContact O-N 3.47Å; R1220-G1564 VanDerWaalsContact CD-O 3.27Å; R1220-G1564 WeakPolarHBondContact CD-O 3.46Å; R1220-G1564 PolarHBondContact O-N 3.41Å |
| 1565 | R | 83 | Confident | 69.1 | Low | 138 Ų | 138 | 77.3 Ų | 77.3 | 52% | 0.521 | 37% | 0.373 | S | S | . | . | P | Polyproline II helix | trans | -92.5 | 142.3 | 176.4 | -59.5 | -169.6 | -174.4 | -166.2 | 9.5 | 111.4 | R1220 F1221 Q1222 M1562 I1563 | R1220-R1565 CarbonylContact C-O 3.47Å; R1220-R1565 WeakPolarHBondContact CB-O 3.21Å; F1221-R1565 CarbonylContact C-O 3.58Å; F1221-R1565 VanDerWaalsContact C-O 3.3Å; F1221-R1565 PolarHBondContact N-O 2.99Å; Q1222-R1565 HydrophobicContact CB-CB 3.69Å; Q1222-R1565 PolarHBondContact N-O 3.17Å; Q1222-R1565 VanDerWaalsContact OE1-CB 3.28Å; Q1222-R1565 VanDerWaalsContact OE1-CD 3.22Å; M1562-R1565 HydrophobicContact CB-CG 4.46Å; M1562-R1565 PolarHBondContact SD-NE 3.26Å; M1562-R1565 PolarHBondContact SD-NH2 3.39Å; I1563-R1565 VanDerWaalsContact C-N 3.34Å; I1563-R1565 PolarHBondContact O-N 2.82Å |
| 1566 | K | 75.2 | Confident | 67.2 | Low | 123 Ų | 123 | 79.9 Ų | 79.9 | 54% | 0.535 | 39% | 0.388 | S | S | . | . | P | Polyproline II helix | trans | -88.5 | 138 | 176.4 | -169 | -158.8 | 166 | 177.9 | 0 | 108.9 | G1568 E1569 | K1566-G1568 PolarHBondContact O-N 3.39Å; K1566-E1569 IonicContact NZ-OE1 2.99Å; K1566-E1569 PolarHBondContact NZ-OE1 3Å |
| 1567 | R | 68.4 | Low | 65 | Low | 118 Ų | 118 | 87.8 Ų | 87.8 | 45% | 0.445 | 43% | 0.425 | S | S | . | . | P | Polyproline II helix | trans | -47.7 | 133.8 | 162.7 | -166.2 | 177.8 | -176.3 | -141.6 | -3.2 | 109.8 | E1571 D1573 | R1567-E1571 IonicContact NE-OE2 3.11Å; R1567-D1573 IonicContact CZ-OD1 3.97Å; R1567-D1573 IonicContact NH1-OD1 2.68Å; R1567-D1573 PolarHBondContact NH1-OD1 2.92Å; R1567-D1573 IonicContact NH2-OD1 2.81Å; R1567-D1573 PolarHBondContact NH2-OD1 2.92Å |
| 1568 | G | 56 | Low | 62.5 | Low | 46 Ų | 46 | 97.3 Ų | 97.3 | 47% | 0.474 | 47% | 0.469 | S | S | . | . | P | Polyproline II helix | trans | -77.3 | 140.2 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | K1566 R1570 | K1566-G1568 PolarHBondContact O-N 3.39Å; G1568-R1570 PolarHBondContact O-N 3.49Å |
| 1569 | E | 50.2 | Low | 59.9 | Low | 167 Ų | 167 | 100.6 Ų | 100.6 | 78% | 0.78 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | 43.6 | 178.1 | -64.4 | 160.1 | -168.4 | 0 | 0 | 111.4 | K1566 | K1566-E1569 IonicContact NZ-OE1 2.99Å; K1566-E1569 PolarHBondContact NZ-OE1 3Å |
| 1570 | R | 41.7 | Very low | 57.3 | Low | 242 Ų | 242 | 109 Ų | 109 | 91% | 0.913 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -156.7 | -3.5 | -167.9 | -110.6 | -176.2 | -168.9 | -175.6 | 2.1 | 117.7 | G1568 | G1568-R1570 PolarHBondContact O-N 3.49Š|
| 1571 | E | 39.2 | Very low | 54.6 | Low | 115 Ų | 115 | 118.4 Ų | 118.4 | 54% | 0.537 | 58% | 0.578 | S | S | . | * | S | Bend | trans | -78.1 | 138 | 153.3 | -71.2 | 163.7 | 171.4 | 0 | 0 | 106.2 | R1567 | R1567-E1571 IonicContact NE-OE2 3.11Š|
| 1572 | P | 36.2 | Very low | 52.1 | Low | 98 Ų | 98 | 124.6 Ų | 124.6 | 64% | 0.636 | 61% | 0.613 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 141.7 | 165.1 | 29.5 | -32.8 | 0 | 0 | 0 | 108.1 | N1574 | P1572-N1574 PolarHBondContact O-N 2.69Š|
| 1573 | D | 37.5 | Very low | 49.5 | Very low | 86 Ų | 86 | 131.5 Ų | 131.5 | 46% | 0.46 | 65% | 0.645 | S | S | . | * | P | Polyproline II helix | trans | -74 | 120.9 | 157.9 | -66.1 | -61.3 | 0 | 0 | 0 | 105.6 | R1567 D1575 | R1567-D1573 IonicContact CZ-OD1 3.97Å; R1567-D1573 IonicContact NH1-OD1 2.68Å; R1567-D1573 PolarHBondContact NH1-OD1 2.92Å; R1567-D1573 IonicContact NH2-OD1 2.81Å; R1567-D1573 PolarHBondContact NH2-OD1 2.92Å; D1573-D1575 PolarHBondContact O-N 2.82Å |
| 1574 | N | 38.1 | Very low | 47 | Very low | 127 Ų | 127 | 139.2 Ų | 139.2 | 68% | 0.679 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -73.8 | 35.9 | 177.1 | -77.4 | 23.4 | 0 | 0 | 0 | 111.6 | P1572 D1576 | P1572-N1574 PolarHBondContact O-N 2.69Å; N1574-D1576 PolarHBondContact O-N 3Å |
| 1575 | D | 44.9 | Very low | 44.9 | Very low | 100 Ų | 100 | 145.5 Ų | 145.5 | 54% | 0.535 | 71% | 0.711 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -91.6 | 29.1 | 179.5 | -62.8 | -19.8 | 0 | 0 | 0 | 110 | R1525 D1573 | R1525-D1575 IonicContact CZ-OD1 3.8Å; R1525-D1575 IonicContact CZ-OD2 3.51Å; R1525-D1575 IonicContact NH1-OD1 2.59Å; R1525-D1575 PolarHBondContact NH1-OD1 3.12Å; R1525-D1575 IonicContact NH2-OD1 2.79Å; R1525-D1575 PolarHBondContact NH2-OD1 2.81Å; R1525-D1575 IonicContact NH2-OD2 2.66Å; R1525-D1575 PolarHBondContact NH2-OD2 3.34Å; D1573-D1575 PolarHBondContact O-N 2.82Å |
| 1576 | D | 40.3 | Very low | 42.8 | Very low | 156 Ų | 156 | 146.9 Ų | 146.9 | 83% | 0.834 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.9 | -4.3 | -167.1 | -108.3 | -9.6 | 0 | 0 | 0 | 114.7 | N1574 | N1574-D1576 PolarHBondContact O-N 3Š|
| 1577 | E | 40.7 | Very low | 41.3 | Very low | 175 Ų | 175 | 150 Ų | 150 | 82% | 0.818 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -103.1 | -20.8 | -178.1 | -76.5 | -177 | 143.7 | 0 | 0 | 114.7 | G1579 | E1577-G1579 PolarHBondContact O-N 3.17Š|
| 1578 | E | 34.7 | Very low | 40 | Very low | 203 Ų | 203 | 151.6 Ų | 151.6 | 95% | 0.949 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -80.3 | 80.7 | 175.4 | -71.1 | 176.4 | -162.3 | 0 | 0 | 111.3 | ||
| 1579 | G | 35.1 | Very low | 39.3 | Very low | 69 Ų | 69 | 157.6 Ų | 157.6 | 71% | 0.711 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -169.7 | 11.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 118.3 | E1577 | E1577-G1579 PolarHBondContact O-N 3.17Š|
| 1580 | R | 36.5 | Very low | 38.9 | Very low | 226 Ų | 226 | 156.8 Ų | 156.8 | 85% | 0.853 | 79% | 0.785 | S | S | * | * | trans | -155.8 | 90.6 | 173.2 | -68.2 | -169.2 | -169 | 157.1 | 8.2 | 112.6 | ||||
| 1581 | E | 33.3 | Very low | 39.1 | Very low | 202 Ų | 202 | 152.7 Ų | 152.7 | 94% | 0.944 | 78% | 0.781 | S | S | * | * | trans | -161.5 | 86.2 | 153.1 | -106.6 | 137.8 | -139.8 | 0 | 0 | 105.8 | ||||
| 1582 | D | 38.6 | Very low | 39.2 | Very low | 150 Ų | 150 | 153.9 Ų | 153.9 | 80% | 0.802 | 79% | 0.791 | S | S | * | * | trans | -97.8 | 137.7 | 164.7 | -67.3 | -68.5 | 0 | 0 | 0 | 106.7 | ||||
| 1583 | E | 36.1 | Very low | 39.3 | Very low | 185 Ų | 185 | 157 Ų | 157 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | trans | 72.6 | 150.5 | 172.8 | -55.1 | 169.2 | -171.3 | 0 | 0 | 115.6 | ||||
| 1584 | E | 37.7 | Very low | 39.6 | Very low | 185 Ų | 185 | 160 Ų | 160 | 86% | 0.864 | 82% | 0.819 | S | S | * | * | trans | 72.6 | 120 | -165.2 | -56.7 | 172.4 | -162 | 0 | 0 | 112.3 | ||||
| 1585 | D | 39.3 | Very low | 39.4 | Very low | 145 Ų | 145 | 161.5 Ų | 161.5 | 78% | 0.775 | 83% | 0.826 | S | S | * | * | cis | -137.8 | 154.2 | 7.1 | -76.7 | -51.2 | 0 | 0 | 0 | 112.8 | ||||
| 1586 | D | 39 | Very low | 39.1 | Very low | 166 Ų | 166 | 164 Ų | 164 | 89% | 0.888 | 84% | 0.84 | S | S | * | * | trans | -96.3 | 116.8 | 162.9 | -63.1 | -64.9 | 0 | 0 | 0 | 108.8 | ||||
| 1587 | E | 43.6 | Very low | 39 | Very low | 190 Ų | 190 | 164.3 Ų | 164.3 | 89% | 0.888 | 84% | 0.842 | S | S | * | * | trans | -131.6 | 132.4 | 161.9 | -71.5 | -161.5 | 141.8 | 0 | 0 | 109.8 | ||||
| 1588 | D | 40.8 | Very low | 38.8 | Very low | 151 Ų | 151 | 162.3 Ų | 162.3 | 81% | 0.807 | 84% | 0.836 | S | S | * | * | trans | -84.1 | 132.3 | -175.4 | -43.1 | -84.1 | 0 | 0 | 0 | 111.8 | ||||
| 1589 | D | 42.2 | Very low | 38.7 | Very low | 172 Ų | 172 | 160.6 Ų | 160.6 | 92% | 0.92 | 83% | 0.834 | S | S | * | * | trans | -141.9 | 93.3 | 157.8 | -96.8 | -33 | 0 | 0 | 0 | 107.4 | ||||
| 1590 | D | 41.4 | Very low | 38.8 | Very low | 149 Ų | 149 | 163.5 Ų | 163.5 | 80% | 0.797 | 83% | 0.833 | S | S | * | * | trans | -75.8 | 135.1 | 163.7 | -65.8 | -58.6 | 0 | 0 | 0 | 108.9 | ||||
| 1591 | D | 45.5 | Very low | 38.5 | Very low | 156 Ų | 156 | 158.7 Ų | 158.7 | 83% | 0.834 | 82% | 0.824 | S | S | * | * | trans | -176.3 | 154.8 | 144 | -95.9 | -23.7 | 0 | 0 | 0 | 111.5 | ||||
| 1592 | D | 42.1 | Very low | 38.2 | Very low | 140 Ų | 140 | 156.4 Ų | 156.4 | 75% | 0.749 | 82% | 0.817 | S | S | * | * | trans | 63.8 | 55.5 | 164.8 | -58.1 | -15 | 0 | 0 | 0 | 120.3 | D1594 | D1592-D1594 PolarHBondContact O-N 3.27Š| ||
| 1593 | D | 38.3 | Very low | 37.6 | Very low | 164 Ų | 164 | 155.8 Ų | 155.8 | 88% | 0.877 | 81% | 0.813 | S | S | * | * | trans | -76.8 | 86 | 152.2 | -96.4 | -30.4 | 0 | 0 | 0 | 110.1 | D1595 | D1593-D1595 VanDerWaalsContact C-N 3.25Å; D1593-D1595 PolarHBondContact O-N 3.5Å | ||
| 1594 | D | 43 | Very low | 37.4 | Very low | 150 Ų | 150 | 148.3 Ų | 148.3 | 80% | 0.802 | 79% | 0.787 | S | S | * | * | trans | -73.2 | 68.2 | 174.8 | -94.7 | -17.7 | 0 | 0 | 0 | 112.2 | D1592 D1596 | D1592-D1594 PolarHBondContact O-N 3.27Å; D1594-D1596 VanDerWaalsContact C-N 3.27Å; D1594-D1596 PolarHBondContact O-N 2.83Å | ||
| 1595 | D | 35 | Very low | 37.1 | Very low | 157 Ų | 157 | 145.9 Ų | 145.9 | 84% | 0.84 | 78% | 0.779 | S | S | * | * | trans | -83.8 | 53.9 | -175.9 | -138.9 | 12.4 | 0 | 0 | 0 | 112.3 | D1593 | D1593-D1595 VanDerWaalsContact C-N 3.25Å; D1593-D1595 PolarHBondContact O-N 3.5Å | ||
| 1596 | D | 37.9 | Very low | 36.8 | Very low | 153 Ų | 153 | 143.3 Ų | 143.3 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | trans | -114.4 | 60.2 | -160.7 | -148.8 | 27.5 | 0 | 0 | 0 | 114.8 | D1594 | D1594-D1596 VanDerWaalsContact C-N 3.27Å; D1594-D1596 PolarHBondContact O-N 2.83Å | ||
| 1597 | D | 39 | Very low | 36.7 | Very low | 163 Ų | 163 | 138.2 Ų | 138.2 | 87% | 0.872 | 76% | 0.756 | S | S | * | * | trans | -151.8 | 21.4 | 174 | -142.4 | 4.1 | 0 | 0 | 0 | 115.2 | ||||
| 1598 | D | 35.2 | Very low | 36.2 | Very low | 132 Ų | 132 | 133.2 Ų | 133.2 | 71% | 0.706 | 74% | 0.735 | S | S | * | * | trans | -99.6 | 23 | -173.7 | -140.2 | 10.4 | 0 | 0 | 0 | 114.2 | ||||
| 1599 | D | 34.1 | Very low | 36 | Very low | 167 Ų | 167 | 132.3 Ų | 132.3 | 89% | 0.893 | 73% | 0.726 | S | S | * | * | trans | -104 | 14.6 | -168.3 | -152.6 | 32.1 | 0 | 0 | 0 | 115.5 | ||||
| 1600 | D | 35.7 | Very low | 35.8 | Very low | 130 Ų | 130 | 126 Ų | 126 | 70% | 0.695 | 69% | 0.692 | S | S | * | * | trans | -98.5 | 7.1 | 172.4 | -137.7 | 12.5 | 0 | 0 | 0 | 111.6 | K400 L1602 | K400-D1600 IonicContact NZ-OD1 2.69Å; K400-D1600 PolarHBondContact NZ-OD1 2.99Å; K400-D1600 IonicContact NZ-OD2 3.23Å; K400-D1600 PolarHBondContact NZ-OD2 3.17Å; D1600-L1602 PolarHBondContact O-N 3.45Å | ||
| 1601 | L | 30.1 | Very low | 35.4 | Very low | 126 Ų | 126 | 120.5 Ų | 120.5 | 66% | 0.66 | 67% | 0.667 | S | S | * | * | trans | -92.5 | 68.3 | -176.5 | -78.3 | 176.6 | 0 | 0 | 0 | 114.1 | ||||
| 1602 | L | 27.6 | Very low | 35 | Very low | 154 Ų | 154 | 119.2 Ų | 119.2 | 81% | 0.806 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -176.8 | 141 | 150.1 | -101.2 | 156.2 | 0 | 0 | 0 | 111.4 | D1600 | D1600-L1602 PolarHBondContact O-N 3.45Š|
| 1603 | N | 26.9 | Very low | 34.7 | Very low | 136 Ų | 136 | 115.9 Ų | 115.9 | 73% | 0.727 | 64% | 0.638 | S | S | * | * | S | Bend | trans | 84.8 | 76.4 | -179 | -49.4 | -84.6 | 0 | 0 | 0 | 116.9 | ||
| 1604 | G | 30.8 | Very low | 34.7 | Very low | 29 Ų | 29 | 109.4 Ų | 109.4 | 30% | 0.299 | 60% | 0.603 | S | S | . | * | trans | -144.5 | -7.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | A1606 S1607 D1608 | G1604-A1606 VanDerWaalsContact C-N 3.33Å; G1604-A1606 PolarHBondContact O-N 2.78Å; G1604-A1606 VanDerWaalsContact O-N 3.07Å; G1604-S1607 PolarHBondContact O-N 2.69Å; G1604-S1607 VanDerWaalsContact O-N 3.16Å; G1604-S1607 PolarHBondContact O-OG 3.22Å; G1604-S1607 VanDerWaalsContact O-OG 3.06Å; G1604-D1608 PolarHBondContact O-N 2.64Å | ||
| 1605 | D | 32.1 | Very low | 34.4 | Very low | 133 Ų | 133 | 106.9 Ų | 106.9 | 71% | 0.711 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -62 | -29.6 | -157.3 | -59 | -70.6 | 0 | 0 | 0 | 115.9 | E1609 | D1605-E1609 PolarHBondContact O-N 2.67Å |
| 1606 | A | 32.6 | Very low | 34.3 | Very low | 91 Ų | 91 | 107.6 Ų | 107.6 | 75% | 0.752 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -75 | -25.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | G1604 | G1604-A1606 VanDerWaalsContact C-N 3.33Å; G1604-A1606 PolarHBondContact O-N 2.78Å; G1604-A1606 VanDerWaalsContact O-N 3.07Å |
| 1607 | S | 36.2 | Very low | 34.2 | Very low | 60 Ų | 60 | 103.2 Ų | 103.2 | 42% | 0.42 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -87.1 | -29.3 | 174.4 | 51.1 | 0 | 0 | 0 | 0 | 112.7 | G1604 L1610 A1611 | G1604-S1607 PolarHBondContact O-N 2.69Å; G1604-S1607 VanDerWaalsContact O-N 3.16Å; G1604-S1607 PolarHBondContact O-OG 3.22Å; G1604-S1607 VanDerWaalsContact O-OG 3.06Å; S1607-L1610 PolarHBondContact O-N 3.23Å; S1607-A1611 PolarHBondContact O-N 2.93Å |
| 1608 | D | 34.3 | Very low | 34.1 | Very low | 85 Ų | 85 | 99.3 Ų | 99.3 | 46% | 0.455 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -84.6 | -26.3 | -171.2 | -73.7 | 8.7 | 0 | 0 | 0 | 112.9 | G1604 L1610 A1611 Q1612 | G1604-D1608 PolarHBondContact O-N 2.64Å; D1608-L1610 VanDerWaalsContact C-N 3.3Å; D1608-A1611 PolarHBondContact O-N 3.02Å; D1608-Q1612 WeakPolarHBondContact O-CG 3.38Å; D1608-Q1612 PolarHBondContact O-N 2.94Å; D1608-Q1612 PolarHBondContact O-NE2 3.04Å |
| 1609 | E | 36.1 | Very low | 34 | Very low | 132 Ų | 132 | 100 Ų | 100 | 62% | 0.617 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -61.4 | -40.4 | 164.9 | -77.6 | -158.5 | 145 | 0 | 0 | 111.3 | D1605 A1611 Q1612 I1613 | D1605-E1609 PolarHBondContact O-N 2.67Å; E1609-A1611 VanDerWaalsContact C-N 3.25Å; E1609-A1611 PolarHBondContact O-N 2.94Å; E1609-Q1612 PolarHBondContact O-N 3.08Å; E1609-I1613 HydrophobicContact CB-CD1 4.47Å; E1609-I1613 WeakPolarHBondContact O-CB 3.34Å; E1609-I1613 WeakPolarHBondContact O-CD1 3.46Å; E1609-I1613 VanDerWaalsContact O-CG1 3.23Å; E1609-I1613 WeakPolarHBondContact O-CG1 3.37Å; E1609-I1613 PolarHBondContact O-N 3.37Å |
| 1610 | L | 37.3 | Very low | 33.9 | Very low | 39 Ų | 39 | 97.9 Ų | 97.9 | 20% | 0.204 | 55% | 0.547 | C | S | . | . | H | α-helix | trans | -65.9 | -30 | 177.2 | -144 | 94.3 | 0 | 0 | 0 | 111.9 | Y353 S1607 D1608 L1614 | Y353-L1610 HydrophobicContact CE1-CD2 4.31Å; S1607-L1610 PolarHBondContact O-N 3.23Å; D1608-L1610 VanDerWaalsContact C-N 3.3Å; L1610-L1614 HydrophobicContact CD2-CD1 4.47Å; L1610-L1614 WeakPolarHBondContact O-CB 3.49Å; L1610-L1614 VanDerWaalsContact O-CD1 3.27Å; L1610-L1614 WeakPolarHBondContact O-CD1 3.47Å; L1610-L1614 WeakPolarHBondContact O-CG 3.47Å; L1610-L1614 PolarHBondContact O-N 3.1Å |
| 1611 | A | 34.5 | Very low | 33.6 | Very low | 34 Ų | 34 | 97 Ų | 97 | 28% | 0.281 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -70.2 | -51.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | S1607 D1608 E1609 I1613 L1614 D1615 | S1607-A1611 PolarHBondContact O-N 2.93Å; D1608-A1611 PolarHBondContact O-N 3.02Å; E1609-A1611 VanDerWaalsContact C-N 3.25Å; E1609-A1611 PolarHBondContact O-N 2.94Å; A1611-I1613 PolarHBondContact O-N 3.13Å; A1611-L1614 PolarHBondContact O-N 3.18Å; A1611-L1614 VanDerWaalsContact O-N 3.13Å; A1611-D1615 PolarHBondContact O-N 3.42Å |
| 1612 | Q | 35.9 | Very low | 33.6 | Very low | 128 Ų | 128 | 94.8 Ų | 94.8 | 60% | 0.598 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -62.1 | -42.9 | -177.7 | -71.1 | 170 | 59.9 | 0 | 0 | 112.5 | D1608 E1609 L1614 D1615 E1616 | D1608-Q1612 WeakPolarHBondContact O-CG 3.38Å; D1608-Q1612 PolarHBondContact O-N 2.94Å; D1608-Q1612 PolarHBondContact O-NE2 3.04Å; E1609-Q1612 PolarHBondContact O-N 3.08Å; Q1612-L1614 VanDerWaalsContact C-N 3.31Å; Q1612-L1614 PolarHBondContact O-N 2.78Å; Q1612-D1615 PolarHBondContact O-N 3.15Å; Q1612-E1616 PolarHBondContact O-N 3.5Å |
| 1613 | I | 35.2 | Very low | 33.6 | Very low | 71 Ų | 71 | 94 Ų | 94 | 36% | 0.364 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64 | -36.8 | 175.5 | -66.9 | 165.3 | 0 | 0 | 0 | 111.2 | Y316 E1609 A1611 S1617 | Y316-I1613 HydrophobicContact CE2-CG2 4.42Å; E1609-I1613 HydrophobicContact CB-CD1 4.47Å; E1609-I1613 WeakPolarHBondContact O-CB 3.34Å; E1609-I1613 WeakPolarHBondContact O-CD1 3.46Å; E1609-I1613 VanDerWaalsContact O-CG1 3.23Å; E1609-I1613 WeakPolarHBondContact O-CG1 3.37Å; E1609-I1613 PolarHBondContact O-N 3.37Å; A1611-I1613 PolarHBondContact O-N 3.13Å; I1613-S1617 WeakPolarHBondContact O-CB 3.42Å; I1613-S1617 PolarHBondContact O-N 3.41Å; I1613-S1617 VanDerWaalsContact O-N 3.15Å |
| 1614 | L | 39.9 | Very low | 33.8 | Very low | 27 Ų | 27 | 93 Ų | 93 | 14% | 0.141 | 54% | 0.541 | C | S | . | . | H | α-helix | trans | -73.5 | -33.1 | 178.1 | -74.5 | 173.1 | 0 | 0 | 0 | 112.4 | F356 L1610 A1611 Q1612 S1617 | F356-L1614 HydrophobicContact CE1-CD1 3.99Å; F356-L1614 HydrophobicContact CE2-CD1 4.26Å; F356-L1614 HydrophobicContact CZ-CD1 3.8Å; L1610-L1614 HydrophobicContact CD2-CD1 4.47Å; L1610-L1614 WeakPolarHBondContact O-CB 3.49Å; L1610-L1614 VanDerWaalsContact O-CD1 3.27Å; L1610-L1614 WeakPolarHBondContact O-CD1 3.47Å; L1610-L1614 WeakPolarHBondContact O-CG 3.47Å; L1610-L1614 PolarHBondContact O-N 3.1Å; A1611-L1614 PolarHBondContact O-N 3.18Å; A1611-L1614 VanDerWaalsContact O-N 3.13Å; Q1612-L1614 VanDerWaalsContact C-N 3.31Å; Q1612-L1614 PolarHBondContact O-N 2.78Å; L1614-S1617 WeakPolarHBondContact CA-OG 3.28Å; L1614-S1617 PolarHBondContact O-N 3.11Å; L1614-S1617 PolarHBondContact O-OG 3.06Å |
| 1615 | D | 34.9 | Very low | 33.6 | Very low | 98 Ų | 98 | 99.3 Ų | 99.3 | 52% | 0.524 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -68.5 | -47.3 | 174.9 | -74.9 | -7.1 | 0 | 0 | 0 | 111.4 | A1611 Q1612 S1617 S1618 | A1611-D1615 PolarHBondContact O-N 3.42Å; Q1612-D1615 PolarHBondContact O-N 3.15Å; D1615-S1617 VanDerWaalsContact C-N 3.25Å; D1615-S1617 PolarHBondContact O-N 2.91Å; D1615-S1618 WeakPolarHBondContact O-CB 3.47Å; D1615-S1618 PolarHBondContact O-N 2.94Å; D1615-S1618 VanDerWaalsContact O-N 3.13Å; D1615-S1618 PolarHBondContact O-OG 3.26Å |
| 1616 | E | 34.5 | Very low | 33.4 | Very low | 171 Ų | 171 | 98.4 Ų | 98.4 | 80% | 0.799 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -59.9 | -34.6 | 174.6 | -70.9 | -164.2 | 157.1 | 0 | 0 | 112.5 | Q1612 S1618 | Q1612-E1616 PolarHBondContact O-N 3.5Å; E1616-S1618 PolarHBondContact O-N 2.95Å |
| 1617 | S | 35.2 | Very low | 33.1 | Very low | 61 Ų | 61 | 99 Ų | 99 | 43% | 0.427 | 57% | 0.572 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -71.1 | -9.9 | 179 | 78.3 | 0 | 0 | 0 | 0 | 115.1 | I1613 L1614 D1615 | I1613-S1617 WeakPolarHBondContact O-CB 3.42Å; I1613-S1617 PolarHBondContact O-N 3.41Å; I1613-S1617 VanDerWaalsContact O-N 3.15Å; L1614-S1617 WeakPolarHBondContact CA-OG 3.28Å; L1614-S1617 PolarHBondContact O-N 3.11Å; L1614-S1617 PolarHBondContact O-OG 3.06Å; D1615-S1617 VanDerWaalsContact C-N 3.25Å; D1615-S1617 PolarHBondContact O-N 2.91Å |
| 1618 | S | 36.3 | Very low | 32.8 | Very low | 82 Ų | 82 | 103.2 Ų | 103.2 | 57% | 0.573 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.9 | -25.9 | -164.3 | 72 | 0 | 0 | 0 | 0 | 115.5 | D1615 E1616 | D1615-S1618 WeakPolarHBondContact O-CB 3.47Å; D1615-S1618 PolarHBondContact O-N 2.94Å; D1615-S1618 VanDerWaalsContact O-N 3.13Å; D1615-S1618 PolarHBondContact O-OG 3.26Å; E1616-S1618 PolarHBondContact O-N 2.95Å |
| 1619 | D | 34.6 | Very low | 32.6 | Very low | 146 Ų | 146 | 111.2 Ų | 111.2 | 78% | 0.781 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.7 | -18.3 | -174.4 | -95.7 | -31 | 0 | 0 | 0 | 115 | ||
| 1620 | D | 31.5 | Very low | 32.2 | Very low | 122 Ų | 122 | 110 Ų | 110 | 65% | 0.652 | 62% | 0.619 | S | S | * | * | trans | -128.2 | 58.1 | -164.6 | -123.1 | -39.9 | 0 | 0 | 0 | 116.5 | S1622 | D1620-S1622 PolarHBondContact O-N 3.28Å; D1620-S1622 VanDerWaalsContact O-N 3.1Å; D1620-S1622 PolarHBondContact OD1-OG 3.09Å | ||
| 1621 | I | 29.5 | Very low | 31.7 | Very low | 112 Ų | 112 | 114.2 Ų | 114.2 | 57% | 0.574 | 65% | 0.649 | S | S | * | * | trans | -82.6 | 74.4 | 160.9 | -54.7 | -177.9 | 0 | 0 | 0 | 109.2 | ||||
| 1622 | S | 29.8 | Very low | 31.4 | Very low | 79 Ų | 79 | 117.7 Ų | 117.7 | 55% | 0.552 | 67% | 0.671 | S | S | * | * | trans | -112.8 | 90.4 | 176.4 | 58.4 | 0 | 0 | 0 | 0 | 111.4 | D1620 S1624 | D1620-S1622 PolarHBondContact O-N 3.28Å; D1620-S1622 VanDerWaalsContact O-N 3.1Å; D1620-S1622 PolarHBondContact OD1-OG 3.09Å; S1622-S1624 PolarHBondContact O-N 2.7Å | ||
| 1623 | T | 26.7 | Very low | 31 | Very low | 137 Ų | 137 | 116.5 Ų | 116.5 | 84% | 0.84 | 68% | 0.677 | S | S | * | * | trans | -67.8 | 105.5 | 179.2 | 36.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1624 | S | 31.2 | Very low | 30.7 | Very low | 115 Ų | 115 | 120.6 Ų | 120.6 | 80% | 0.804 | 70% | 0.7 | S | S | * | * | trans | -111.2 | 128.2 | 170.2 | 60.5 | 0 | 0 | 0 | 0 | 111.4 | S1622 | S1622-S1624 PolarHBondContact O-N 2.7Š| ||
| 1625 | D | 26.5 | Very low | 30.2 | Very low | 163 Ų | 163 | 128.7 Ų | 128.7 | 87% | 0.872 | 74% | 0.737 | S | S | * | * | trans | -94.9 | 109 | -166.6 | 177.6 | 22.1 | 0 | 0 | 0 | 111.5 | ||||
| 1626 | S | 29.3 | Very low | 29.8 | Very low | 114 Ų | 114 | 132.9 Ų | 132.9 | 80% | 0.797 | 75% | 0.753 | S | S | * | * | trans | -161.6 | 138.4 | 157.3 | 53.4 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1627 | S | 26.2 | Very low | 29.5 | Very low | 104 Ų | 104 | 133.9 Ų | 133.9 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | trans | -111 | 132.7 | 173 | 45.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1628 | D | 29.2 | Very low | 29 | Very low | 148 Ų | 148 | 142.5 Ų | 142.5 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | trans | 160.8 | 104.9 | 141.1 | -92 | -16.1 | 0 | 0 | 0 | 110.6 | ||||
| 1629 | W | 29.8 | Very low | 28.6 | Very low | 252 Ų | 252 | 145.2 Ų | 145.2 | 96% | 0.955 | 79% | 0.794 | S | S | * | * | trans | -142.5 | 126.8 | 154.3 | -82.8 | 106.7 | 0 | 0 | 0 | 111.5 | ||||
| 1630 | S | 27.3 | Very low | 28.2 | Very low | 107 Ų | 107 | 148.3 Ų | 148.3 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | trans | -132.2 | 145.5 | 162.5 | -75.2 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 1631 | P | 28.3 | Very low | 28 | Very low | 128 Ų | 128 | 152.4 Ų | 152.4 | 83% | 0.831 | 80% | 0.801 | S | S | * | * | trans | -93.1 | 144.3 | -145.7 | 33.5 | -36.8 | 0 | 0 | 0 | 114.9 | ||||
| 1632 | S | 28.5 | Very low | 28 | Very low | 106 Ų | 106 | 159.7 Ų | 159.7 | 74% | 0.741 | 82% | 0.821 | S | S | * | * | trans | -148.4 | 96 | 159.9 | 64.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1633 | S | 27.5 | Very low | 27.9 | Very low | 103 Ų | 103 | 167.2 Ų | 167.2 | 72% | 0.72 | 84% | 0.838 | S | S | * | * | trans | 2.9 | 112.9 | 149.5 | 55.8 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1634 | N | 28.7 | Very low | 27.9 | Very low | 158 Ų | 158 | 172.3 Ų | 172.3 | 85% | 0.845 | 84% | 0.841 | S | S | * | * | 168.2 | 72.3 | 120.5 | -84.5 | -7.8 | 0 | 0 | 0 | 112.5 | |||||
| 1635 | E | 28.5 | Very low | 27.6 | Very low | 196 Ų | 196 | 178.5 Ų | 178.5 | 92% | 0.916 | 85% | 0.847 | S | S | * | * | trans | -151.7 | 78.7 | 163 | -129.2 | 168.3 | 167.1 | 0 | 0 | 112 | ||||
| 1636 | Q | 27.5 | Very low | 27.8 | Very low | 187 Ų | 187 | 181.7 Ų | 181.7 | 87% | 0.874 | 85% | 0.847 | S | S | * | * | trans | -81.5 | 145.3 | 160.1 | -69.9 | 175.2 | -36.9 | 0 | 0 | 108.5 | ||||
| 1637 | Q | 27.2 | Very low | 27.8 | Very low | 191 Ų | 191 | 187.4 Ų | 187.4 | 89% | 0.893 | 85% | 0.851 | S | S | * | * | trans | 96.7 | 50.1 | 176.8 | -52.7 | -176.1 | -10.6 | 0 | 0 | 119.3 | ||||
| 1638 | R | 25.7 | Very low | 28 | Very low | 243 Ų | 243 | 193 Ų | 193 | 92% | 0.917 | 86% | 0.856 | S | S | * | * | trans | -166.4 | 134.7 | 145 | -101.7 | 158.4 | 179 | -170.4 | -0.8 | 105.6 | ||||
| 1639 | V | 27.9 | Very low | 28.2 | Very low | 138 Ų | 138 | 191.9 Ų | 191.9 | 84% | 0.836 | 86% | 0.855 | S | S | * | * | cis | -135.9 | 134.7 | 23.4 | 175.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1640 | R | 25.7 | Very low | 28.2 | Very low | 212 Ų | 212 | 186.7 Ų | 186.7 | 80% | 0.8 | 84% | 0.841 | S | S | * | * | trans | -140 | 151.8 | 154.2 | -104.7 | -175 | 171.7 | -175.1 | -2.6 | 106.4 | E159 | E159-R1640 IonicContact OE1-CZ 2.71Å; E159-R1640 IonicContact OE1-NH1 3.08Å; E159-R1640 IonicContact OE1-NH2 2.71Å; E159-R1640 PolarHBondContact OE1-NH2 3.04Å | ||
| 1641 | R | 27.5 | Very low | 28.5 | Very low | 208 Ų | 208 | 185.9 Ų | 185.9 | 79% | 0.785 | 84% | 0.841 | S | S | * | * | trans | 79.7 | 112.8 | 177.9 | -56.6 | -179.8 | 172 | 177.3 | -3.3 | 119.2 | ||||
| 1642 | R | 28.4 | Very low | 28.7 | Very low | 264 Ų | 264 | 186 Ų | 186 | 100% | 0.996 | 84% | 0.835 | S | S | * | * | trans | -126.8 | 67.7 | 134 | -109.6 | -173.9 | 173.1 | -178.9 | -2.1 | 110.3 | ||||
| 1643 | R | 28.7 | Very low | 29 | Very low | 238 Ų | 238 | 185.9 Ų | 185.9 | 90% | 0.898 | 84% | 0.84 | S | S | * | * | trans | -115.3 | 166 | 162.9 | -100.6 | -175.8 | 172.1 | -173.8 | -3.2 | 109.2 | ||||
| 1644 | R | 26.2 | Very low | 29.2 | Very low | 243 Ų | 243 | 188 Ų | 188 | 92% | 0.917 | 84% | 0.843 | S | S | * | * | S | Bend | trans | -57.3 | 163.3 | -168.3 | -75.4 | 171.9 | 162.8 | 168.3 | -8.2 | 115.7 | ||
| 1645 | R | 26.2 | Very low | 29.5 | Very low | 246 Ų | 246 | 188.6 Ų | 188.6 | 93% | 0.928 | 85% | 0.845 | S | S | * | * | trans | 63.6 | 130.8 | 161.6 | -71.7 | 176.1 | 172.8 | 168.5 | -2.7 | 119.4 | ||||
| 1646 | R | 29.3 | Very low | 29.7 | Very low | 230 Ų | 230 | 185.1 Ų | 185.1 | 87% | 0.868 | 84% | 0.837 | S | S | * | * | trans | -158 | 133.5 | 139.6 | -122.4 | 177.9 | -177.3 | -173.2 | -1.9 | 112.3 | ||||
| 1647 | R | 30.4 | Very low | 30.1 | Very low | 234 Ų | 234 | 185.6 Ų | 185.6 | 88% | 0.883 | 84% | 0.839 | S | S | * | * | trans | -100.8 | 154.8 | 173.3 | -97.4 | 179.5 | 168.9 | 174.6 | -3.3 | 110.3 | ||||
| 1648 | R | 29.1 | Very low | 30.4 | Very low | 221 Ų | 221 | 181 Ų | 181 | 83% | 0.834 | 83% | 0.828 | S | S | * | * | trans | 49.5 | 129.8 | 149.2 | -84 | -171.9 | 168.9 | 164.9 | -2.6 | 122.7 | ||||
| 1649 | T | 33.1 | Very low | 30.9 | Very low | 125 Ų | 125 | 175.9 Ų | 175.9 | 77% | 0.767 | 82% | 0.819 | S | S | * | * | trans | 63.4 | 148.5 | 138 | 54.8 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 1650 | E | 30.4 | Very low | 31.4 | Very low | 142 Ų | 142 | 175.3 Ų | 175.3 | 66% | 0.664 | 82% | 0.816 | S | S | * | * | cis | -104.7 | -121.6 | -1.9 | -145.1 | -61.9 | 71.5 | 0 | 0 | 110.7 | N1652 | E1650-N1652 PolarHBondContact OE2-N 2.69Å; E1650-N1652 PolarHBondContact OE2-ND2 3.24Å | ||
| 1651 | A | 33.9 | Very low | 31.9 | Very low | 90 Ų | 90 | 171.1 Ų | 171.1 | 74% | 0.744 | 81% | 0.813 | S | S | * | * | cis | -148.4 | 126.9 | 1.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1652 | N | 32 | Very low | 32.2 | Very low | 132 Ų | 132 | 168 Ų | 168 | 71% | 0.706 | 81% | 0.812 | S | S | * | * | trans | -71.3 | 130 | -179.8 | -83.1 | -77.3 | 0 | 0 | 0 | 115.1 | E1650 | E1650-N1652 PolarHBondContact OE2-N 2.69Å; E1650-N1652 PolarHBondContact OE2-ND2 3.24Å | ||
| 1653 | A | 35.3 | Very low | 32.5 | Very low | 102 Ų | 102 | 164.6 Ų | 164.6 | 84% | 0.843 | 81% | 0.808 | S | S | * | * | trans | -151.4 | 108.6 | 154.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1654 | N | 31 | Very low | 32.8 | Very low | 148 Ų | 148 | 159.2 Ų | 159.2 | 79% | 0.791 | 80% | 0.801 | S | S | * | * | trans | -75.2 | 146.6 | 172.6 | -70.2 | -61.2 | 0 | 0 | 0 | 111.3 | ||||
| 1655 | I | 35.2 | Very low | 33.3 | Very low | 171 Ų | 171 | 151.7 Ų | 151.7 | 88% | 0.877 | 79% | 0.791 | S | S | * | * | trans | -154.4 | 136.9 | 135.7 | -104.7 | 150.4 | 0 | 0 | 0 | 109.9 | ||||
| 1656 | T | 32.6 | Very low | 33.9 | Very low | 123 Ų | 123 | 146.6 Ų | 146.6 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | trans | -84.7 | 151.9 | 179.1 | 50.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 1657 | E | 36 | Very low | 34.3 | Very low | 197 Ų | 197 | 141.6 Ų | 141.6 | 92% | 0.921 | 77% | 0.772 | S | S | * | * | -153.8 | 157.2 | 125.8 | -119.1 | 169.8 | -145.6 | 0 | 0 | 112 | |||||
| 1658 | S | 34.3 | Very low | 34.6 | Very low | 94 Ų | 94 | 136.7 Ų | 136.7 | 66% | 0.657 | 76% | 0.764 | S | S | * | * | trans | -137.2 | 165.2 | -170.2 | 63.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1659 | N | 36.1 | Very low | 35 | Very low | 136 Ų | 136 | 132 Ų | 132 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | 170.8 | 135.8 | 129.6 | -92.9 | -42 | 0 | 0 | 0 | 115.9 | |||||
| 1660 | T | 37.4 | Very low | 35.2 | Very low | 126 Ų | 126 | 131.3 Ų | 131.3 | 77% | 0.773 | 75% | 0.746 | S | S | * | * | trans | 63.6 | 150 | 140.8 | 63 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1661 | V | 36.3 | Very low | 35.6 | Very low | 123 Ų | 123 | 128 Ų | 128 | 75% | 0.745 | 73% | 0.732 | S | S | * | * | cis | -157.4 | 130.8 | -10.4 | 125.2 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 1662 | N | 34 | Very low | 35.9 | Very low | 142 Ų | 142 | 126.6 Ų | 126.6 | 76% | 0.759 | 72% | 0.716 | S | S | * | * | 79.9 | 94.8 | 59.4 | -136.8 | 26.7 | 0 | 0 | 0 | 115.2 | |||||
| 1663 | E | 34.9 | Very low | 36 | Very low | 193 Ų | 193 | 124.3 Ų | 124.3 | 90% | 0.902 | 70% | 0.703 | S | S | * | * | trans | 179.7 | 155.3 | 154.9 | -107.3 | 175 | -161.3 | 0 | 0 | 109.9 | ||||
| 1664 | V | 35.5 | Very low | 36 | Very low | 125 Ų | 125 | 125.5 Ų | 125.5 | 76% | 0.758 | 69% | 0.694 | S | S | * | * | -174.2 | 158 | -60.4 | 139.9 | 0 | 0 | 0 | 0 | 107.4 | |||||
| 1665 | A | 37.4 | Very low | 36.1 | Very low | 85 Ų | 85 | 125.6 Ų | 125.6 | 70% | 0.702 | 70% | 0.695 | S | S | * | * | trans | 72.5 | 148.2 | 167.2 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1666 | N | 36.9 | Very low | 36.1 | Very low | 140 Ų | 140 | 121.4 Ų | 121.4 | 75% | 0.749 | 69% | 0.685 | S | S | * | * | cis | -169.1 | 171 | -28.1 | -132.9 | 30.5 | 0 | 0 | 0 | 111.6 | ||||
| 1667 | N | 38.1 | Very low | 36.2 | Very low | 124 Ų | 124 | 123.3 Ų | 123.3 | 66% | 0.663 | 69% | 0.686 | S | S | * | * | trans | 79.8 | 121.9 | 157.7 | -53.6 | -17 | 0 | 0 | 0 | 120.5 | ||||
| 1668 | N | 38.1 | Very low | 36.1 | Very low | 131 Ų | 131 | 120.4 Ų | 120.4 | 70% | 0.701 | 68% | 0.677 | S | S | * | * | 62.8 | 146 | 123.8 | -64.4 | 47.4 | 0 | 0 | 0 | 120.9 | |||||
| 1669 | D | 37.2 | Very low | 36.2 | Very low | 122 Ų | 122 | 119.8 Ų | 119.8 | 65% | 0.652 | 68% | 0.677 | S | S | * | * | cis | -161.6 | 161 | 5.5 | -112.8 | -31.7 | 0 | 0 | 0 | 112 | ||||
| 1670 | I | 37.6 | Very low | 36.1 | Very low | 111 Ų | 111 | 120.6 Ų | 120.6 | 57% | 0.569 | 68% | 0.681 | S | S | * | * | trans | 47.1 | 108.5 | 149.8 | -53.6 | 162.2 | 0 | 0 | 0 | 118.5 | ||||
| 1671 | N | 38.4 | Very low | 35.7 | Very low | 72 Ų | 72 | 121.6 Ų | 121.6 | 39% | 0.385 | 68% | 0.68 | S | S | . | * | cis | 86.9 | 82.4 | 13.9 | -129.8 | 0.4 | 0 | 0 | 0 | 114.9 | N1087 T1088 T1089 | N1087-N1671 CarbonylContact C-O 3.42Å; N1087-N1671 VanDerWaalsContact CA-O 3.32Å; N1087-N1671 WeakPolarHBondContact CA-O 3.47Å; N1087-N1671 PolarHBondContact OD1-O 3.49Å; T1088-N1671 WeakPolarHBondContact CA-O 3.43Å; T1088-N1671 VanDerWaalsContact CA-OD1 3.28Å; T1088-N1671 WeakPolarHBondContact CA-OD1 3.3Å; T1088-N1671 HydrophobicContact CG2-CB 4.32Å; T1088-N1671 PolarHBondContact N-O 3.36Å; T1089-N1671 PolarHBondContact N-OD1 3.16Å; T1089-N1671 PolarHBondContact O-OD1 3.17Å; T1089-N1671 VanDerWaalsContact O-OD1 3.11Å; T1089-N1671 WeakPolarHBondContact OG1-CA 3.41Å; T1089-N1671 PolarHBondContact OG1-OD1 3.25Å | ||
| 1672 | P | 40 | Very low | 35.5 | Very low | 61 Ų | 61 | 122.7 Ų | 122.7 | 40% | 0.396 | 68% | 0.682 | S | S | . | * | B | Isolated β-bridge | trans | -153.4 | 142.1 | 140.9 | 17.9 | 7.7 | 0 | 0 | 0 | 119.4 | T1089 | T1089-P1672 WeakPolarHBondContact CG2-O 3.07Å |
| 1673 | I | 33.8 | Very low | 35.4 | Very low | 85 Ų | 85 | 120.2 Ų | 120.2 | 44% | 0.436 | 68% | 0.675 | S | S | . | * | cis | -171.4 | 148.4 | 19.6 | -127.8 | -179.6 | 0 | 0 | 0 | 113.4 | N1087 T1088 | N1087-I1673 VanDerWaalsContact O-CG1 3.28Å; N1087-I1673 WeakPolarHBondContact O-CG1 3.42Å; T1088-I1673 WeakPolarHBondContact O-CA 3.33Å; T1088-I1673 PolarHBondContact O-N 3.06Å | ||
| 1674 | L | 34.4 | Very low | 35.1 | Very low | 127 Ų | 127 | 119.9 Ų | 119.9 | 67% | 0.665 | 67% | 0.674 | S | S | * | * | trans | 60.6 | 133.4 | 153.2 | -61.1 | 178.5 | 0 | 0 | 0 | 121.1 | ||||
| 1675 | N | 33.6 | Very low | 34.9 | Very low | 150 Ų | 150 | 118 Ų | 118 | 80% | 0.802 | 67% | 0.672 | S | S | * | * | cis | 98.3 | 149.1 | 43.1 | -78.8 | 28.6 | 0 | 0 | 0 | 112.6 | ||||
| 1676 | A | 35.2 | Very low | 34.6 | Very low | 82 Ų | 82 | 122.2 Ų | 122.2 | 68% | 0.678 | 68% | 0.677 | S | S | * | * | cis | -163.9 | -165 | -16.4 | 0 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 1677 | E | 35.2 | Very low | 34.3 | Very low | 164 Ų | 164 | 119.7 Ų | 119.7 | 77% | 0.766 | 67% | 0.67 | S | S | * | * | cis | -156 | 155.7 | 15 | -82.4 | -168.9 | 67.5 | 0 | 0 | 105.6 | ||||
| 1678 | N | 34.7 | Very low | 33.9 | Very low | 135 Ų | 135 | 120 Ų | 120 | 72% | 0.722 | 67% | 0.672 | S | S | * | * | cis | -143.2 | -148.1 | -8.6 | -84.5 | -28.4 | 0 | 0 | 0 | 105.9 | ||||
| 1679 | A | 36.4 | Very low | 33.6 | Very low | 81 Ų | 81 | 121.4 Ų | 121.4 | 67% | 0.669 | 67% | 0.674 | S | S | * | * | cis | -144.9 | 142.2 | 0.8 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1680 | L | 32.3 | Very low | 33.5 | Very low | 153 Ų | 153 | 121 Ų | 121 | 80% | 0.801 | 68% | 0.676 | S | S | * | * | 50.5 | 118.7 | 102.5 | -55.9 | 170.1 | 0 | 0 | 0 | 113.4 | |||||
| 1681 | I | 30.3 | Very low | 33.1 | Very low | 147 Ų | 147 | 122.1 Ų | 122.1 | 75% | 0.754 | 68% | 0.68 | S | S | * | * | cis | 56.3 | 94.7 | 26.8 | -45.1 | 177 | 0 | 0 | 0 | 113.1 | ||||
| 1682 | D | 32.1 | Very low | 32.8 | Very low | 147 Ų | 147 | 125 Ų | 125 | 79% | 0.786 | 70% | 0.695 | S | S | * | * | -169.8 | 169.7 | 115.5 | -120.7 | -33.3 | 0 | 0 | 0 | 113.5 | |||||
| 1683 | S | 31.7 | Very low | 32.4 | Very low | 89 Ų | 89 | 130.4 Ų | 130.4 | 62% | 0.622 | 71% | 0.708 | S | S | * | * | trans | 45 | 116.9 | 157.5 | 57 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 1684 | Q | 27.9 | Very low | 32.4 | Very low | 186 Ų | 186 | 130.5 Ų | 130.5 | 87% | 0.869 | 72% | 0.721 | S | S | * | * | 68.2 | 137.9 | 63.6 | -67.2 | -171.5 | -71.1 | 0 | 0 | 115.7 | |||||
| 1685 | A | 31.4 | Very low | 32.4 | Very low | 87 Ų | 87 | 130.7 Ų | 130.7 | 72% | 0.719 | 72% | 0.723 | S | S | * | * | trans | 68.7 | 153.9 | 161.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1686 | E | 31.6 | Very low | 32.3 | Very low | 172 Ų | 172 | 130.5 Ų | 130.5 | 80% | 0.804 | 72% | 0.722 | S | S | * | * | cis | -156.6 | 122.4 | -14.5 | -116.3 | 160.9 | -170.9 | 0 | 0 | 105.9 | ||||
| 1687 | S | 30.5 | Very low | 32.3 | Very low | 87 Ų | 87 | 129.6 Ų | 129.6 | 61% | 0.608 | 72% | 0.721 | S | S | * | * | 86.7 | 148 | 101.5 | 76.9 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 1688 | N | 30 | Very low | 32.2 | Very low | 132 Ų | 132 | 129 Ų | 129 | 71% | 0.706 | 72% | 0.723 | S | S | * | * | trans | 70.2 | 153 | 159.2 | -61.7 | 14.4 | 0 | 0 | 0 | 114.5 | ||||
| 1689 | E | 30.6 | Very low | 32.1 | Very low | 159 Ų | 159 | 129.3 Ų | 129.3 | 74% | 0.743 | 72% | 0.724 | S | S | * | * | cis | -164.6 | 138.9 | 1 | -119.8 | 161.6 | -125.4 | 0 | 0 | 103.6 | ||||
| 1690 | V | 34.7 | Very low | 31.7 | Very low | 115 Ų | 115 | 132.3 Ų | 132.3 | 70% | 0.697 | 73% | 0.729 | S | S | * | * | cis | -168.6 | 140.9 | 46.1 | 170.6 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 1691 | M | 29.2 | Very low | 31.5 | Very low | 133 Ų | 133 | 129.6 Ų | 129.6 | 66% | 0.655 | 72% | 0.723 | S | S | * | * | cis | 82 | 65.8 | 26.7 | -126 | -91.2 | -69 | 0 | 0 | 116.4 | ||||
| 1692 | D | 34 | Very low | 31.4 | Very low | 132 Ų | 132 | 127.2 Ų | 127.2 | 71% | 0.706 | 72% | 0.72 | S | S | * | * | trans | -160 | 150.1 | 147.6 | -95.9 | -21.5 | 0 | 0 | 0 | 112.1 | ||||
| 1693 | R | 30.1 | Very low | 31.5 | Very low | 176 Ų | 176 | 130.9 Ų | 130.9 | 66% | 0.664 | 72% | 0.722 | S | S | * | * | cis | 180 | 141.4 | -36.7 | -118.9 | -170.2 | -169.5 | 96.8 | 0.5 | 108.9 | ||||
| 1694 | A | 33.4 | Very low | 31.5 | Very low | 86 Ų | 86 | 133.6 Ų | 133.6 | 71% | 0.711 | 73% | 0.726 | S | S | * | * | trans | 64.2 | 162.8 | 159.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1695 | N | 34.3 | Very low | 31.7 | Very low | 132 Ų | 132 | 130.2 Ų | 130.2 | 71% | 0.706 | 72% | 0.717 | S | S | * | * | cis | -144.3 | 123.9 | 8 | -146 | 70.6 | 0 | 0 | 0 | 107.2 | ||||
| 1696 | D | 32.5 | Very low | 31.7 | Very low | 146 Ų | 146 | 132.8 Ų | 132.8 | 78% | 0.781 | 72% | 0.719 | S | S | * | * | 57.2 | 129.9 | 101.2 | -59.8 | -11.5 | 0 | 0 | 0 | 116.2 | |||||
| 1697 | G | 34.9 | Very low | 31.8 | Very low | 63 Ų | 63 | 131.8 Ų | 131.8 | 65% | 0.649 | 71% | 0.714 | S | S | * | * | trans | 126.4 | 110.7 | -176 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1698 | D | 32.4 | Very low | 31.9 | Very low | 150 Ų | 150 | 135 Ų | 135 | 80% | 0.802 | 72% | 0.719 | S | S | * | * | cis | 56.9 | 123.4 | 34.6 | -45.2 | -20 | 0 | 0 | 0 | 111 | ||||
| 1699 | D | 32.8 | Very low | 32.2 | Very low | 142 Ų | 142 | 136 Ų | 136 | 76% | 0.759 | 72% | 0.72 | S | S | * | * | cis | -155.6 | 173.7 | 5.2 | -113.7 | -27.2 | 0 | 0 | 0 | 110.6 | ||||
| 1700 | D | 29.3 | Very low | 32.3 | Very low | 145 Ų | 145 | 136.1 Ų | 136.1 | 78% | 0.775 | 72% | 0.72 | S | S | * | * | trans | 6.3 | 145.6 | 160.8 | -78.8 | -29.5 | 0 | 0 | 0 | 123 | ||||
| 1701 | S | 28.4 | Very low | 32.5 | Very low | 96 Ų | 96 | 135.9 Ų | 135.9 | 67% | 0.671 | 72% | 0.719 | S | S | * | * | trans | 90.6 | 119.7 | 141.7 | 73.5 | 0 | 0 | 0 | 0 | 122 | ||||
| 1702 | S | 28.1 | Very low | 32.7 | Very low | 97 Ų | 97 | 134.7 Ų | 134.7 | 68% | 0.678 | 72% | 0.719 | S | S | * | * | trans | 35.8 | 110.7 | 138.7 | 61.2 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1703 | W | 32.6 | Very low | 32.8 | Very low | 223 Ų | 223 | 137.8 Ų | 137.8 | 85% | 0.845 | 73% | 0.729 | S | S | * | * | trans | -130.2 | 128.4 | 139.3 | -64.4 | 86.9 | 0 | 0 | 0 | 106.4 | ||||
| 1704 | E | 33.4 | Very low | 33 | Very low | 147 Ų | 147 | 132.7 Ų | 132.7 | 69% | 0.687 | 73% | 0.732 | S | S | * | * | 67 | 81.9 | 56.9 | -66.4 | -162.2 | 159.9 | 0 | 0 | 113.1 | |||||
| 1705 | T | 31.9 | Very low | 33.2 | Very low | 114 Ų | 114 | 136.6 Ų | 136.6 | 70% | 0.699 | 74% | 0.737 | S | S | * | * | 47.4 | 132 | 120 | 51 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 1706 | L | 31.7 | Very low | 33.3 | Very low | 142 Ų | 142 | 137.8 Ų | 137.8 | 74% | 0.743 | 74% | 0.739 | S | S | * | * | trans | 89.2 | 156.5 | 131.2 | -80.3 | 169 | 0 | 0 | 0 | 120.9 | ||||
| 1707 | E | 32.3 | Very low | 33.5 | Very low | 151 Ų | 151 | 136.3 Ų | 136.3 | 71% | 0.706 | 74% | 0.735 | S | S | * | * | trans | 66.7 | 124.4 | 154.8 | -73.4 | 155.8 | -144.4 | 0 | 0 | 117.3 | ||||
| 1708 | E | 33 | Very low | 33.6 | Very low | 155 Ų | 155 | 138.5 Ų | 138.5 | 72% | 0.724 | 74% | 0.74 | S | S | * | * | cis | 177.3 | 170.8 | 5.2 | -127.1 | 170.1 | -176.2 | 0 | 0 | 108.6 | ||||
| 1709 | E | 35.8 | Very low | 33.8 | Very low | 152 Ų | 152 | 136 Ų | 136 | 71% | 0.71 | 74% | 0.735 | S | S | * | * | trans | 70.5 | 99 | 147.7 | -70.9 | -175.9 | 166.8 | 0 | 0 | 124.5 | ||||
| 1710 | E | 33.9 | Very low | 33.9 | Very low | 162 Ų | 162 | 138.2 Ų | 138.2 | 76% | 0.757 | 74% | 0.74 | S | S | * | * | 84.4 | 170.2 | 103.2 | -146.2 | -176.9 | -122.8 | 0 | 0 | 121.3 | |||||
| 1711 | V | 38.3 | Very low | 34.3 | Very low | 109 Ų | 109 | 142.9 Ų | 142.9 | 66% | 0.661 | 77% | 0.766 | S | S | * | * | trans | 93.4 | 56.2 | 159.6 | -155.7 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1712 | T | 34.1 | Very low | 34.6 | Very low | 109 Ų | 109 | 145.3 Ų | 145.3 | 67% | 0.669 | 77% | 0.77 | S | S | * | * | 55 | 152.1 | 111.4 | 63.6 | 0 | 0 | 0 | 0 | 125 | |||||
| 1713 | E | 34.6 | Very low | 35 | Very low | 196 Ų | 196 | 147.8 Ų | 147.8 | 92% | 0.916 | 78% | 0.775 | S | S | * | * | trans | 102.4 | 137.4 | 134 | -100.7 | 177.2 | -146.4 | 0 | 0 | 121.4 | ||||
| 1714 | G | 35.9 | Very low | 35.1 | Very low | 70 Ų | 70 | 143.6 Ų | 143.6 | 72% | 0.722 | 77% | 0.771 | S | S | * | * | trans | 141.3 | 57.1 | -177 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1715 | M | 36 | Very low | 35.2 | Very low | 167 Ų | 167 | 143.4 Ų | 143.4 | 82% | 0.823 | 78% | 0.776 | S | S | * | * | 64.6 | 132.2 | 94.2 | -123.3 | 178.3 | 167.7 | 0 | 0 | 113.6 | |||||
| 1716 | E | 37.1 | Very low | 35.4 | Very low | 158 Ų | 158 | 145.3 Ų | 145.3 | 74% | 0.738 | 78% | 0.781 | S | S | * | * | cis | -145.4 | 133.1 | 31.8 | -79.1 | 179.4 | 153.8 | 0 | 0 | 110.4 | ||||
| 1717 | T | 37.8 | Very low | 35.6 | Very low | 115 Ų | 115 | 145.5 Ų | 145.5 | 71% | 0.706 | 78% | 0.784 | S | S | * | * | 46.8 | 144.3 | 92.8 | 63.5 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 1718 | S | 36.2 | Very low | 35.9 | Very low | 108 Ų | 108 | 145.1 Ų | 145.1 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | cis | 179.7 | 162.1 | 3.5 | 39.5 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1719 | S | 35.7 | Very low | 36.1 | Very low | 98 Ų | 98 | 144.3 Ų | 144.3 | 69% | 0.685 | 79% | 0.794 | S | S | * | * | cis | -176.5 | 173.4 | -15.4 | 54.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 1720 | E | 36.4 | Very low | 36.1 | Very low | 188 Ų | 188 | 143.7 Ų | 143.7 | 88% | 0.879 | 80% | 0.801 | S | S | * | * | trans | 62.6 | 100 | 160.6 | -62.3 | -175.4 | 149 | 0 | 0 | 120.3 | ||||
| 1721 | D | 37.4 | Very low | 36.3 | Very low | 244 Ų | 244 | 142 Ų | 142 | 100% | 1.305 | 81% | 0.805 | S | S | * | * | -155.1 | 0 | 115.3 | -137.9 | 12 | 0 | 0 | 0 | 109.5 |
Retrieved 1,721 of 1,721 residues in 1083.4 ms
(Link to these results)