| 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 | 32.8 | Very low | 67.7 | Low | 215 Ų | 215 | 108.5 Ų | 108.5 | 100% | 1.059 | 52% | 0.523 | S | S | * | . | 0 | 37.8 | 0 | -125.3 | 170.5 | -175.3 | 0 | 0 | 112.2 | K3 | M1-K3 PolarHBondContact O-N 3.42Š| |||
| 2 | D | 33.3 | Very low | 69.7 | Low | 141 Ų | 141 | 104.8 Ų | 104.8 | 75% | 0.754 | 52% | 0.516 | S | S | * | . | trans | -111.3 | 46.1 | -135.6 | -34.3 | -64.3 | 0 | 0 | 0 | 114 | ||||
| 3 | K | 41.4 | Very low | 71.6 | Confident | 196 Ų | 196 | 97.5 Ų | 97.5 | 85% | 0.852 | 48% | 0.48 | S | S | * | . | S | Bend | trans | -94.6 | 2.8 | -172.4 | -110.7 | -175.4 | 178.2 | -175.3 | 0 | 116 | M1 | M1-K3 PolarHBondContact O-N 3.42Š|
| 4 | F | 52.3 | Low | 73.2 | Confident | 165 Ų | 165 | 95.9 Ų | 95.9 | 72% | 0.724 | 48% | 0.478 | S | S | * | . | trans | -128.5 | 12.4 | -164.6 | -70.7 | -73 | 0 | 0 | 0 | 116 | R304 | F4-R304 PolarHBondContact O-NH2 3.08Š| ||
| 5 | E | 68.4 | Low | 74.6 | Confident | 112 Ų | 112 | 91.3 Ų | 91.3 | 52% | 0.523 | 46% | 0.457 | S | S | . | . | S | Bend | trans | -69.8 | -42.7 | 176.5 | -73.3 | -175.7 | 147.8 | 0 | 0 | 112.1 | I226 R304 | E5-I226 VanDerWaalsContact O-CG2 3.25Å; E5-I226 WeakPolarHBondContact O-CG2 3.48Å; E5-R304 WeakPolarHBondContact O-CD 3.44Å; E5-R304 PolarHBondContact O-NE 3.27Å |
| 6 | K | 76.1 | Confident | 75.9 | Confident | 99 Ų | 99 | 92.7 Ų | 92.7 | 43% | 0.43 | 47% | 0.472 | S | S | . | . | S | Bend | trans | -71.1 | 146.1 | 176.5 | -67.7 | -164.2 | 178.8 | -173.7 | 0 | 112.8 | D83 | K6-D83 WeakPolarHBondContact CE-OD1 3.46Å; K6-D83 WeakPolarHBondContact CE-OD2 3.46Å; K6-D83 IonicContact NZ-OD1 3.97Å; K6-D83 PolarHBondContact NZ-OD1 2.81Å; K6-D83 IonicContact NZ-OD2 3.73Å; K6-D83 PolarHBondContact NZ-OD2 3.3Å |
| 7 | P | 83.5 | Confident | 77 | Confident | 11 Ų | 11 | 90.6 Ų | 90.6 | 7% | 0.071 | 46% | 0.46 | C | S | . | . | P | Polyproline II helix | trans | -68 | 154 | 170.7 | 29.7 | -32.8 | 0 | 0 | 0 | 111 | S9 F79 F82 I281 | P7-S9 PolarHBondContact O-N 3.04Å; P7-F79 HydrophobicContact CB-CE1 4.31Å; P7-F79 HydrophobicContact CB-CZ 4.23Å; P7-F79 HydrophobicContact CG-CE1 3.83Å; P7-F79 HydrophobicContact CG-CZ 4.02Å; P7-F82 HydrophobicContact CG-CD2 4.05Å; P7-F82 HydrophobicContact CG-CE2 3.53Å; P7-F82 HydrophobicContact CG-CZ 4.32Å; P7-I281 HydrophobicContact CB-CD1 3.68Å; P7-I281 HydrophobicContact CG-CD1 4.46Å |
| 8 | Q | 84.8 | Confident | 78.1 | Confident | 96 Ų | 96 | 85.6 Ų | 85.6 | 45% | 0.449 | 44% | 0.435 | S | S | . | . | P | Polyproline II helix | trans | -59.2 | 127.1 | 173.4 | 179.9 | -178.3 | -6.5 | 0 | 0 | 110.2 | Y10 S12 W13 F79 | Q8-Y10 PolarHBondContact O-N 3.49Å; Q8-S12 VanDerWaalsContact CG-OG 3.24Å; Q8-S12 WeakPolarHBondContact CG-OG 3.33Å; Q8-S12 PolarHBondContact NE2-O 3.09Å; Q8-S12 PolarHBondContact NE2-OG 2.73Å; Q8-W13 PolarHBondContact O-NE1 3.23Å; Q8-F79 WeakPolarHBondContact O-CE1 3.41Å; Q8-F79 WeakPolarHBondContact O-CZ 3.27Å |
| 9 | S | 88.4 | Confident | 79 | Confident | 55 Ų | 55 | 82.5 Ų | 82.5 | 39% | 0.385 | 42% | 0.419 | S | S | . | . | P | Polyproline II helix | trans | -54.5 | 128.9 | 179.7 | 178.3 | 0 | 0 | 0 | 0 | 111.6 | P7 L11 S12 | P7-S9 PolarHBondContact O-N 3.04Å; S9-L11 PolarHBondContact O-N 3.19Å; S9-S12 PolarHBondContact O-N 3.24Å; S9-S12 PolarHBondContact O-OG 3Å |
| 10 | Y | 91.8 | Very high | 79.8 | Confident | 29 Ų | 29 | 80.5 Ų | 80.5 | 11% | 0.114 | 41% | 0.413 | C | S | . | . | G | 310 helix | trans | -56 | -28.1 | -177.6 | 77.1 | -89.7 | 0 | 0 | 0 | 113.3 | Q8 S12 W13 G43 L46 L75 F79 | Q8-Y10 PolarHBondContact O-N 3.49Å; Y10-S12 PolarHBondContact O-N 2.74Å; Y10-S12 VanDerWaalsContact O-N 3.11Å; Y10-W13 WeakPolarHBondContact O-CB 2.82Å; Y10-W13 PolarHBondContact O-N 3.44Å; Y10-W13 VanDerWaalsContact O-N 3.09Å; Y10-G43 WeakPolarHBondContact O-CA 3.11Å; Y10-L46 HydrophobicContact CD2-CB 4.21Å; Y10-L46 HydrophobicContact CD2-CD1 4.47Å; Y10-L46 HydrophobicContact CE2-CB 4.29Å; Y10-L75 HydrophobicContact CD2-CD2 4.44Å; Y10-L75 HydrophobicContact CG-CD2 4.21Å; Y10-F79 HydrophobicContact CD1-CB 4.09Å; Y10-F79 HydrophobicContact CD1-CD1 4.29Å; Y10-F79 AromaticContact CD1-CD2 3.95Å; Y10-F79 HydrophobicContact CD1-CD2 3.95Å; Y10-F79 HydrophobicContact CD1-CE2 4.47Å; Y10-F79 AromaticContact CD1-CG 3.84Å; Y10-F79 HydrophobicContact CD1-CG 3.84Å; Y10-F79 HydrophobicContact CE1-CB 4.27Å |
| 11 | L | 91.6 | Very high | 80.6 | Confident | 75 Ų | 75 | 76.6 Ų | 76.6 | 39% | 0.393 | 39% | 0.393 | S | S | . | . | G | 310 helix | trans | -60.9 | -18.3 | 175.6 | -65.3 | 173.3 | 0 | 0 | 0 | 114.1 | S9 | S9-L11 PolarHBondContact O-N 3.19Š|
| 12 | S | 91.9 | Very high | 83.6 | Confident | 63 Ų | 63 | 66.4 Ų | 66.4 | 44% | 0.441 | 34% | 0.342 | S | S | . | . | G | 310 helix | trans | -105 | 6 | 178.9 | 66.8 | 0 | 0 | 0 | 0 | 113.9 | Q8 S9 Y10 | Q8-S12 VanDerWaalsContact CG-OG 3.24Å; Q8-S12 WeakPolarHBondContact CG-OG 3.33Å; Q8-S12 PolarHBondContact NE2-O 3.09Å; Q8-S12 PolarHBondContact NE2-OG 2.73Å; S9-S12 PolarHBondContact O-N 3.24Å; S9-S12 PolarHBondContact O-OG 3Å; Y10-S12 PolarHBondContact O-N 2.74Å; Y10-S12 VanDerWaalsContact O-N 3.11Å |
| 13 | W | 94.1 | Very high | 86.6 | Confident | 11 Ų | 11 | 60.9 Ų | 60.9 | 4% | 0.042 | 32% | 0.315 | C | S | . | . | trans | -68.2 | 137.9 | 177 | -68.8 | -4.4 | 0 | 0 | 0 | 112.3 | Q8 Y10 Q17 V18 W21 G43 L46 L75 F79 I281 | Q8-W13 PolarHBondContact O-NE1 3.23Å; Y10-W13 WeakPolarHBondContact O-CB 2.82Å; Y10-W13 PolarHBondContact O-N 3.44Å; Y10-W13 VanDerWaalsContact O-N 3.09Å; W13-Q17 HydrophobicContact CB-CB 3.91Å; W13-Q17 HydrophobicContact CD2-CB 4.49Å; W13-Q17 HydrophobicContact CG-CB 4.11Å; W13-V18 HydrophobicContact CB-CG2 3.92Å; W13-V18 HydrophobicContact CE3-CG2 4.2Å; W13-W21 HydrophobicContact CH2-CB 4.38Å; W13-W21 HydrophobicContact CH2-CD2 4.42Å; W13-W21 HydrophobicContact CH2-CG 4.04Å; W13-W21 HydrophobicContact CZ3-CB 3.79Å; W13-W21 AromaticContact CZ3-CD2 3.95Å; W13-W21 HydrophobicContact CZ3-CD2 3.95Å; W13-W21 HydrophobicContact CZ3-CE3 4.31Å; W13-W21 AromaticContact CZ3-CG 3.69Å; W13-W21 HydrophobicContact CZ3-CG 3.69Å; W13-G43 PolarHBondContact O-N 2.7Å; W13-L46 HydrophobicContact CE3-CD1 4.15Å; W13-L46 HydrophobicContact CZ3-CD1 4.18Å; W13-L75 HydrophobicContact CH2-CD1 3.89Å; W13-L75 HydrophobicContact CH2-CD2 3.86Å; W13-L75 HydrophobicContact CH2-CG 4.49Å; W13-L75 HydrophobicContact CZ3-CD2 3.92Å; W13-F79 HydrophobicContact CZ2-CE2 4.2Å; W13-F79 HydrophobicContact CZ2-CZ 4.22Å; W13-I281 HydrophobicContact CH2-CB 4.02Å; W13-I281 HydrophobicContact CH2-CG2 3.8Å; W13-I281 HydrophobicContact CZ2-CB 3.8Å; W13-I281 HydrophobicContact CZ2-CG1 3.81Å; W13-I281 HydrophobicContact CZ2-CG2 3.88Å | ||
| 14 | T | 94.3 | Very high | 89.1 | Confident | 75 Ų | 75 | 51.5 Ų | 51.5 | 46% | 0.46 | 27% | 0.274 | S | S | . | . | trans | -70.3 | 164.2 | 169.4 | 59.2 | 0 | 0 | 0 | 0 | 111.9 | T16 Q17 V18 | T14-T16 VanDerWaalsContact C-N 3.26Å; T14-T16 PolarHBondContact O-N 3.35Å; T14-Q17 PolarHBondContact O-N 2.93Å; T14-Q17 VanDerWaalsContact O-N 3.13Å; T14-Q17 WeakPolarHBondContact OG1-CG 3.49Å; T14-Q17 PolarHBondContact OG1-N 3.35Å; T14-Q17 PolarHBondContact OG1-OE1 3.3Å; T14-V18 WeakPolarHBondContact O-CG2 3.33Å; T14-V18 PolarHBondContact O-N 2.95Å | ||
| 15 | T | 94.8 | Very high | 91 | Very high | 27 Ų | 27 | 43.8 Ų | 43.8 | 17% | 0.166 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -50.4 | -46.9 | 173.4 | -41.9 | 0 | 0 | 0 | 0 | 111.7 | Q17 V18 I19 I41 | T15-Q17 PolarHBondContact O-N 3.08Å; T15-V18 PolarHBondContact O-N 3Å; T15-I19 HydrophobicContact CG2-CG1 4.22Å; T15-I19 VanDerWaalsContact O-CG1 3.29Å; T15-I19 WeakPolarHBondContact O-CG1 3.32Å; T15-I19 PolarHBondContact O-N 2.72Å; T15-I41 VanDerWaalsContact CA-O 3.26Å; T15-I41 WeakPolarHBondContact CA-O 3.45Å |
| 16 | T | 95.1 | Very high | 92.2 | Very high | 113 Ų | 113 | 40.7 Ų | 40.7 | 69% | 0.693 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -59.6 | -43.1 | 180 | -42.2 | 0 | 0 | 0 | 0 | 112.5 | T14 S20 | T14-T16 VanDerWaalsContact C-N 3.26Å; T14-T16 PolarHBondContact O-N 3.35Å; T16-S20 VanDerWaalsContact O-CB 3.23Å; T16-S20 WeakPolarHBondContact O-CB 3.26Å; T16-S20 PolarHBondContact O-N 2.96Å |
| 17 | Q | 95.3 | Very high | 92.9 | Very high | 58 Ų | 58 | 39.8 Ų | 39.8 | 27% | 0.271 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -67.1 | -39.4 | 177.2 | -73.1 | 165.6 | -54.9 | 0 | 0 | 112.1 | W13 T14 T15 W21 | W13-Q17 HydrophobicContact CB-CB 3.91Å; W13-Q17 HydrophobicContact CD2-CB 4.49Å; W13-Q17 HydrophobicContact CG-CB 4.11Å; T14-Q17 PolarHBondContact O-N 2.93Å; T14-Q17 VanDerWaalsContact O-N 3.13Å; T14-Q17 WeakPolarHBondContact OG1-CG 3.49Å; T14-Q17 PolarHBondContact OG1-N 3.35Å; T14-Q17 PolarHBondContact OG1-OE1 3.3Å; T15-Q17 PolarHBondContact O-N 3.08Å; Q17-W21 WeakPolarHBondContact O-CB 3.33Å; Q17-W21 PolarHBondContact O-N 2.94Å |
| 18 | V | 95.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -66.4 | -46.5 | 176.2 | 176.2 | 0 | 0 | 0 | 0 | 111.3 | W13 T14 T15 W21 L22 I41 L46 | W13-V18 HydrophobicContact CB-CG2 3.92Å; W13-V18 HydrophobicContact CE3-CG2 4.2Å; T14-V18 WeakPolarHBondContact O-CG2 3.33Å; T14-V18 PolarHBondContact O-N 2.95Å; T15-V18 PolarHBondContact O-N 3Å; V18-W21 PolarHBondContact O-N 2.96Å; V18-L22 HydrophobicContact CG1-CD1 3.95Å; V18-L22 HydrophobicContact CG1-CG 4.41Å; V18-L22 WeakPolarHBondContact O-CB 3.44Å; V18-L22 VanDerWaalsContact O-CG 3.28Å; V18-L22 WeakPolarHBondContact O-CG 3.24Å; V18-L22 PolarHBondContact O-N 2.81Å; V18-I41 HydrophobicContact CG1-CD1 3.56Å; V18-I41 HydrophobicContact CG1-CG1 3.99Å; V18-L46 HydrophobicContact CG1-CD1 4.18Å; V18-L46 HydrophobicContact CG1-CD2 4.13Å; V18-L46 HydrophobicContact CG1-CG 4.26Å; V18-L46 HydrophobicContact CG2-CD1 4.19Å |
| 19 | I | 95.8 | Very high | 93.6 | Very high | 27 Ų | 27 | 36 Ų | 36 | 14% | 0.138 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.5 | -44.9 | 178.1 | -65 | -60.1 | 0 | 0 | 0 | 111.3 | T15 L22 S23 L33 F36 I41 | T15-I19 HydrophobicContact CG2-CG1 4.22Å; T15-I19 VanDerWaalsContact O-CG1 3.29Å; T15-I19 WeakPolarHBondContact O-CG1 3.32Å; T15-I19 PolarHBondContact O-N 2.72Å; I19-L22 PolarHBondContact O-N 2.69Å; I19-S23 PolarHBondContact O-N 3.35Å; I19-L33 WeakPolarHBondContact CD1-O 3.48Å; I19-L33 HydrophobicContact CG2-CB 4.26Å; I19-L33 HydrophobicContact CG2-CD2 4.44Å; I19-F36 HydrophobicContact CD1-CB 3.42Å; I19-F36 VanDerWaalsContact CD1-CB 3.42Å; I19-F36 HydrophobicContact CD1-CD2 4.44Å; I19-F36 HydrophobicContact CD1-CG 4.48Å; I19-I41 HydrophobicContact CD1-CD1 4.1Å; I19-I41 HydrophobicContact CD1-CG1 4.26Å |
| 20 | S | 95 | Very high | 93.8 | Very high | 41 Ų | 41 | 37.5 Ų | 37.5 | 29% | 0.287 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -56.9 | -51.1 | 173.7 | -175 | 0 | 0 | 0 | 0 | 111.1 | T16 L22 S23 Q280 W285 | T16-S20 VanDerWaalsContact O-CB 3.23Å; T16-S20 WeakPolarHBondContact O-CB 3.26Å; T16-S20 PolarHBondContact O-N 2.96Å; S20-L22 VanDerWaalsContact C-N 3.35Å; S20-L22 PolarHBondContact O-N 2.77Å; S20-S23 PolarHBondContact O-N 3.21Å; S20-S23 PolarHBondContact O-OG 2.69Å; S20-Q280 VanDerWaalsContact CB-OE1 3.29Å; S20-Q280 PolarHBondContact OG-OE1 3.09Å; S20-W285 VanDerWaalsContact O-CZ2 3.3Å; S20-W285 WeakPolarHBondContact O-CZ2 3.24Å |
| 21 | W | 96.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -58.7 | -42.3 | 177 | 177.6 | 72.5 | 0 | 0 | 0 | 113.1 | W13 Q17 V18 S23 G24 L25 L46 K71 V72 L75 I283 W285 | W13-W21 HydrophobicContact CH2-CB 4.38Å; W13-W21 HydrophobicContact CH2-CD2 4.42Å; W13-W21 HydrophobicContact CH2-CG 4.04Å; W13-W21 HydrophobicContact CZ3-CB 3.79Å; W13-W21 AromaticContact CZ3-CD2 3.95Å; W13-W21 HydrophobicContact CZ3-CD2 3.95Å; W13-W21 HydrophobicContact CZ3-CE3 4.31Å; W13-W21 AromaticContact CZ3-CG 3.69Å; W13-W21 HydrophobicContact CZ3-CG 3.69Å; Q17-W21 WeakPolarHBondContact O-CB 3.33Å; Q17-W21 PolarHBondContact O-N 2.94Å; V18-W21 PolarHBondContact O-N 2.96Å; W21-S23 PolarHBondContact O-N 2.74Å; W21-G24 PolarHBondContact O-N 2.81Å; W21-L25 HydrophobicContact CE3-CD1 4.25Å; W21-L25 HydrophobicContact CH2-CD1 3.74Å; W21-L25 HydrophobicContact CH2-CD2 4.4Å; W21-L25 HydrophobicContact CZ2-CD1 4.02Å; W21-L25 HydrophobicContact CZ2-CD2 3.81Å; W21-L25 HydrophobicContact CZ2-CG 4.44Å; W21-L25 HydrophobicContact CZ3-CD1 3.87Å; W21-L46 HydrophobicContact CE3-CD1 4.22Å; W21-L46 HydrophobicContact CZ3-CD1 4.22Å; W21-L46 HydrophobicContact CZ3-CD2 4.12Å; W21-K71 HydrophobicContact CH2-CB 4.32Å; W21-K71 HydrophobicContact CZ2-CB 4.44Å; W21-V72 HydrophobicContact CH2-CG2 3.77Å; W21-V72 HydrophobicContact CZ3-CG2 3.86Å; W21-L75 HydrophobicContact CD2-CD2 4.34Å; W21-L75 HydrophobicContact CE3-CD2 4.41Å; W21-L75 HydrophobicContact CH2-CB 4.21Å; W21-L75 HydrophobicContact CH2-CD2 3.92Å; W21-L75 HydrophobicContact CZ2-CB 3.87Å; W21-L75 HydrophobicContact CZ2-CD1 4.22Å; W21-L75 HydrophobicContact CZ2-CD2 3.83Å; W21-L75 HydrophobicContact CZ2-CG 4.19Å; W21-L75 HydrophobicContact CZ3-CD2 4.2Å; W21-I283 PolarHBondContact NE1-O 3.38Å; W21-W285 AromaticContact CD1-CD1 3.89Å; W21-W285 AromaticContact CD1-NE1 3.41Å; W21-W285 PolarHBondContact O-NE1 2.78Å |
| 22 | L | 96.2 | Very high | 94 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.1 | -37.9 | 178.2 | -73.3 | 170.9 | 0 | 0 | 0 | 112.7 | V18 I19 S20 G24 L25 I29 L33 F36 I41 I68 | V18-L22 HydrophobicContact CG1-CD1 3.95Å; V18-L22 HydrophobicContact CG1-CG 4.41Å; V18-L22 WeakPolarHBondContact O-CB 3.44Å; V18-L22 VanDerWaalsContact O-CG 3.28Å; V18-L22 WeakPolarHBondContact O-CG 3.24Å; V18-L22 PolarHBondContact O-N 2.81Å; I19-L22 PolarHBondContact O-N 2.69Å; S20-L22 VanDerWaalsContact C-N 3.35Å; S20-L22 PolarHBondContact O-N 2.77Å; L22-G24 PolarHBondContact O-N 2.98Å; L22-L25 HydrophobicContact CD2-CD1 3.84Å; L22-L25 WeakPolarHBondContact O-CB 3.46Å; L22-L25 PolarHBondContact O-N 2.58Å; L22-L25 VanDerWaalsContact O-N 3.16Å; L22-I29 HydrophobicContact CB-CG2 4.48Å; L22-L33 HydrophobicContact CB-CD2 3.69Å; L22-F36 HydrophobicContact CD1-CD2 3.72Å; L22-F36 HydrophobicContact CD1-CE2 3.98Å; L22-I41 HydrophobicContact CD1-CD1 3.79Å; L22-I68 HydrophobicContact CD2-CG2 4.3Å |
| 23 | S | 95 | Very high | 94.1 | Very high | 25 Ų | 25 | 36.4 Ų | 36.4 | 18% | 0.175 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.3 | -26.5 | -179.7 | 76.6 | 0 | 0 | 0 | 0 | 114.1 | I19 S20 W21 R289 | I19-S23 PolarHBondContact O-N 3.35Å; S20-S23 PolarHBondContact O-N 3.21Å; S20-S23 PolarHBondContact O-OG 2.69Å; W21-S23 PolarHBondContact O-N 2.74Å; S23-R289 VanDerWaalsContact O-CZ 3.28Å; S23-R289 PolarHBondContact O-NH1 3.13Å |
| 24 | G | 93.9 | Very high | 94 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -6.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | W21 L22 W285 L286 | W21-G24 PolarHBondContact O-N 2.81Å; L22-G24 PolarHBondContact O-N 2.98Å; G24-W285 CarbonylContact O-C 3.54Å; G24-W285 VanDerWaalsContact O-CA 3.26Å; G24-W285 WeakPolarHBondContact O-CA 3.27Å; G24-L286 PolarHBondContact O-N 3.41Å |
| 25 | L | 93.7 | Very high | 93.9 | Very high | 2 Ų | 2 | 38.4 Ų | 38.4 | 1% | 0.01 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -47.1 | -170 | -64.2 | -177.9 | 0 | 0 | 0 | 114.5 | W21 L22 I29 K71 L286 | W21-L25 HydrophobicContact CE3-CD1 4.25Å; W21-L25 HydrophobicContact CH2-CD1 3.74Å; W21-L25 HydrophobicContact CH2-CD2 4.4Å; W21-L25 HydrophobicContact CZ2-CD1 4.02Å; W21-L25 HydrophobicContact CZ2-CD2 3.81Å; W21-L25 HydrophobicContact CZ2-CG 4.44Å; W21-L25 HydrophobicContact CZ3-CD1 3.87Å; L22-L25 HydrophobicContact CD2-CD1 3.84Å; L22-L25 WeakPolarHBondContact O-CB 3.46Å; L22-L25 PolarHBondContact O-N 2.58Å; L22-L25 VanDerWaalsContact O-N 3.16Å; L25-I29 HydrophobicContact CB-CD1 3.78Å; L25-I29 HydrophobicContact CD1-CD1 4.34Å; L25-K71 HydrophobicContact CD1-CB 3.84Å; L25-K71 HydrophobicContact CD1-CG 4.36Å; L25-K71 HydrophobicContact CD2-CB 3.98Å; L25-K71 HydrophobicContact CD2-CD 4.26Å; L25-K71 HydrophobicContact CD2-CG 4.11Å; L25-K71 HydrophobicContact CG-CB 4.46Å; L25-L286 WeakPolarHBondContact O-CG 3.17Å |
| 26 | D | 92.4 | Very high | 93.8 | Very high | 48 Ų | 48 | 37.1 Ų | 37.1 | 26% | 0.257 | 22% | 0.222 | S | C | . | . | trans | -166.6 | 138.5 | 179.9 | -162.9 | -67.6 | 0 | 0 | 0 | 110.2 | A28 I29 I67 | D26-A28 PolarHBondContact O-N 3.33Å; D26-A28 VanDerWaalsContact O-N 3.13Å; D26-A28 WeakPolarHBondContact OD1-CB 3.4Å; D26-A28 PolarHBondContact OD1-N 3.23Å; D26-I29 HydrophobicContact CB-CD1 4.01Å; D26-I29 HydrophobicContact CB-CG1 4.35Å; D26-I29 WeakPolarHBondContact O-CB 3.48Å; D26-I29 PolarHBondContact O-N 2.83Å; D26-I67 HydrophobicContact CB-CD1 4.44Å; D26-I67 HydrophobicContact CB-CG2 3.86Å | ||
| 27 | D | 91.2 | Very high | 93.7 | Very high | 80 Ų | 80 | 34.5 Ų | 34.5 | 43% | 0.428 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -21.7 | 178.1 | -63.8 | -66.1 | 0 | 0 | 0 | 113.1 | I29 E30 Y288 R289 | D27-I29 PolarHBondContact O-N 3.07Å; D27-E30 PolarHBondContact O-N 3.41Å; D27-Y288 PolarHBondContact OD1-OH 3.09Å; D27-Y288 PolarHBondContact OD2-OH 3.46Å; D27-R289 IonicContact OD1-CZ 3.53Å; D27-R289 IonicContact OD1-NE 3.59Å; D27-R289 IonicContact OD1-NH2 3.98Å; D27-R289 PolarHBondContact OD1-NH2 2.92Å |
| 28 | A | 90.4 | Very high | 93.5 | Very high | 27 Ų | 27 | 35.7 Ų | 35.7 | 22% | 0.223 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -10.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | D26 H64 | D26-A28 PolarHBondContact O-N 3.33Å; D26-A28 VanDerWaalsContact O-N 3.13Å; D26-A28 WeakPolarHBondContact OD1-CB 3.4Å; D26-A28 PolarHBondContact OD1-N 3.23Å; A28-H64 PolarHBondContact O-CE1 2.76Å; A28-H64 PolarHBondContact O-ND1 2.84Å |
| 29 | I | 92.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | -25.2 | -179.5 | -62.7 | 164.7 | 0 | 0 | 0 | 112 | L22 L25 D26 D27 P31 Y32 L33 F36 I67 I68 | L22-I29 HydrophobicContact CB-CG2 4.48Å; L25-I29 HydrophobicContact CB-CD1 3.78Å; L25-I29 HydrophobicContact CD1-CD1 4.34Å; D26-I29 HydrophobicContact CB-CD1 4.01Å; D26-I29 HydrophobicContact CB-CG1 4.35Å; D26-I29 WeakPolarHBondContact O-CB 3.48Å; D26-I29 PolarHBondContact O-N 2.83Å; D27-I29 PolarHBondContact O-N 3.07Å; I29-P31 VanDerWaalsContact C-N 3.31Å; I29-P31 VanDerWaalsContact O-N 3.1Å; I29-Y32 WeakPolarHBondContact O-CD2 3.34Å; I29-Y32 PolarHBondContact O-N 3.34Å; I29-L33 HydrophobicContact CG2-CD2 4Å; I29-F36 HydrophobicContact CG2-CE2 4.4Å; I29-I67 HydrophobicContact CD1-CG2 3.93Å; I29-I68 HydrophobicContact CD1-CG1 3.75Å; I29-I68 HydrophobicContact CG1-CD1 4.34Å; I29-I68 HydrophobicContact CG1-CG1 4.01Å |
| 30 | E | 93.3 | Very high | 92.9 | Very high | 87 Ų | 87 | 44.7 Ų | 44.7 | 41% | 0.407 | 27% | 0.272 | S | S | . | . | G | 310 helix | trans | -44.4 | -43.8 | -177.6 | -155.5 | 77 | -128.1 | 0 | 0 | 114 | D27 Y32 L33 R289 | D27-E30 PolarHBondContact O-N 3.41Å; E30-Y32 PolarHBondContact O-N 3.07Å; E30-Y32 VanDerWaalsContact O-N 3.11Å; E30-L33 PolarHBondContact O-N 2.99Å; E30-L33 WeakPolarHBondContact OE1-CD1 3.36Å; E30-R289 IonicContact OE2-CZ 3.77Å; E30-R289 IonicContact OE2-NH1 3.8Å; E30-R289 PolarHBondContact OE2-NH1 3.04Å; E30-R289 IonicContact OE2-NH2 2.85Å; E30-R289 PolarHBondContact OE2-NH2 2.79Å |
| 31 | P | 93.1 | Very high | 92.8 | Very high | 96 Ų | 96 | 43 Ų | 43 | 62% | 0.623 | 26% | 0.259 | S | S | * | . | G | 310 helix | trans | -65 | -15.9 | -179.3 | -22.3 | 35.5 | 0 | 0 | 0 | 115.8 | I29 | I29-P31 VanDerWaalsContact C-N 3.31Å; I29-P31 VanDerWaalsContact O-N 3.1Å |
| 32 | Y | 94 | Very high | 92.6 | Very high | 33 Ų | 33 | 45.2 Ų | 45.2 | 13% | 0.129 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -97.9 | -14.3 | -179.1 | -50.8 | -71.7 | 0 | 0 | 0 | 113.3 | I29 E30 S34 A35 F36 V59 H64 | I29-Y32 WeakPolarHBondContact O-CD2 3.34Å; I29-Y32 PolarHBondContact O-N 3.34Å; E30-Y32 PolarHBondContact O-N 3.07Å; E30-Y32 VanDerWaalsContact O-N 3.11Å; Y32-S34 VanDerWaalsContact C-N 3.3Å; Y32-S34 PolarHBondContact O-N 2.72Å; Y32-A35 PolarHBondContact O-N 2.94Å; Y32-A35 VanDerWaalsContact O-N 3.14Å; Y32-F36 HydrophobicContact CG-CZ 4.42Å; Y32-F36 WeakPolarHBondContact O-CB 3.29Å; Y32-F36 VanDerWaalsContact O-CG 3.24Å; Y32-F36 WeakPolarHBondContact O-CG 3.18Å; Y32-F36 PolarHBondContact O-N 3.48Å; Y32-V59 HydrophobicContact CD1-CG2 3.9Å; Y32-V59 HydrophobicContact CD2-CG1 4.49Å; Y32-V59 HydrophobicContact CD2-CG2 4.21Å; Y32-V59 HydrophobicContact CE1-CB 4.41Å; Y32-V59 HydrophobicContact CE1-CG1 4.5Å; Y32-V59 HydrophobicContact CE1-CG2 4.17Å; Y32-V59 HydrophobicContact CE2-CG1 4.06Å; Y32-V59 HydrophobicContact CE2-CG2 4.46Å; Y32-V59 HydrophobicContact CG-CG2 3.92Å; Y32-H64 HydrophobicContact CE2-CB 4.24Å; Y32-H64 AromaticContact CE2-ND1 3.56Å |
| 33 | L | 93.3 | Very high | 92.4 | Very high | 14 Ų | 14 | 45.2 Ų | 45.2 | 7% | 0.073 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.1 | -37.2 | -172.8 | -62.5 | 179.5 | 0 | 0 | 0 | 112.7 | I19 L22 I29 E30 F36 S37 | I19-L33 WeakPolarHBondContact CD1-O 3.48Å; I19-L33 HydrophobicContact CG2-CB 4.26Å; I19-L33 HydrophobicContact CG2-CD2 4.44Å; L22-L33 HydrophobicContact CB-CD2 3.69Å; I29-L33 HydrophobicContact CG2-CD2 4Å; E30-L33 PolarHBondContact O-N 2.99Å; E30-L33 WeakPolarHBondContact OE1-CD1 3.36Å; L33-F36 HydrophobicContact CD2-CD2 4.35Å; L33-F36 PolarHBondContact O-N 3.32Å; L33-S37 VanDerWaalsContact O-CB 3.32Å; L33-S37 WeakPolarHBondContact O-CB 3.24Å; L33-S37 PolarHBondContact O-N 2.93Å |
| 34 | S | 91.9 | Very high | 92.2 | Very high | 88 Ų | 88 | 50.8 Ų | 50.8 | 62% | 0.615 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -64.1 | -46.4 | 174.7 | 54.5 | 0 | 0 | 0 | 0 | 112.3 | Y32 S37 A38 | Y32-S34 VanDerWaalsContact C-N 3.3Å; Y32-S34 PolarHBondContact O-N 2.72Å; S34-S37 PolarHBondContact O-N 2.98Å; S34-A38 WeakPolarHBondContact O-CB 3.45Å; S34-A38 PolarHBondContact O-N 2.97Å |
| 35 | A | 92.2 | Very high | 92.1 | Very high | 41 Ų | 41 | 51.6 Ų | 51.6 | 34% | 0.339 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -66.4 | -35.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y32 K39 | Y32-A35 PolarHBondContact O-N 2.94Å; Y32-A35 VanDerWaalsContact O-N 3.14Å; A35-K39 WeakPolarHBondContact O-CG 3.39Å; A35-K39 PolarHBondContact O-N 3.34Å |
| 36 | F | 93.4 | Very high | 92 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -66.4 | -44.3 | 172.2 | -68 | -16.6 | 0 | 0 | 0 | 112 | I19 L22 I29 Y32 L33 K39 N40 I41 W45 Y57 V59 I68 | I19-F36 HydrophobicContact CD1-CB 3.42Å; I19-F36 VanDerWaalsContact CD1-CB 3.42Å; I19-F36 HydrophobicContact CD1-CD2 4.44Å; I19-F36 HydrophobicContact CD1-CG 4.48Å; L22-F36 HydrophobicContact CD1-CD2 3.72Å; L22-F36 HydrophobicContact CD1-CE2 3.98Å; I29-F36 HydrophobicContact CG2-CE2 4.4Å; Y32-F36 HydrophobicContact CG-CZ 4.42Å; Y32-F36 WeakPolarHBondContact O-CB 3.29Å; Y32-F36 VanDerWaalsContact O-CG 3.24Å; Y32-F36 WeakPolarHBondContact O-CG 3.18Å; Y32-F36 PolarHBondContact O-N 3.48Å; L33-F36 HydrophobicContact CD2-CD2 4.35Å; L33-F36 PolarHBondContact O-N 3.32Å; F36-K39 PolarHBondContact O-N 3.04Å; F36-N40 PolarHBondContact O-N 3.42Å; F36-I41 HydrophobicContact CB-CD1 3.68Å; F36-I41 HydrophobicContact CB-CG1 4.13Å; F36-I41 HydrophobicContact CD2-CD1 4.24Å; F36-I41 HydrophobicContact CG-CD1 4Å; F36-W45 HydrophobicContact CE1-CH2 4.25Å; F36-W45 HydrophobicContact CZ-CH2 4.31Å; F36-Y57 HydrophobicContact CD1-CD1 4.3Å; F36-V59 HydrophobicContact CE1-CG2 3.84Å; F36-V59 HydrophobicContact CZ-CG2 3.65Å; F36-I68 HydrophobicContact CE2-CD1 4.49Å; F36-I68 HydrophobicContact CZ-CD1 4.24Å |
| 37 | S | 92.7 | Very high | 91.8 | Very high | 58 Ų | 58 | 52.1 Ų | 52.1 | 41% | 0.406 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61.9 | -46.6 | 178 | -171.3 | 0 | 0 | 0 | 0 | 111.1 | L33 S34 K39 N40 | L33-S37 VanDerWaalsContact O-CB 3.32Å; L33-S37 WeakPolarHBondContact O-CB 3.24Å; L33-S37 PolarHBondContact O-N 2.93Å; S34-S37 PolarHBondContact O-N 2.98Å; S37-K39 PolarHBondContact O-N 3.07Å; S37-N40 PolarHBondContact O-N 3.43Å |
| 38 | A | 91.2 | Very high | 91.6 | Very high | 82 Ų | 82 | 51.8 Ų | 51.8 | 68% | 0.678 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -61.2 | -27.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | S34 | S34-A38 WeakPolarHBondContact O-CB 3.45Å; S34-A38 PolarHBondContact O-N 2.97Å |
| 39 | K | 89.5 | Confident | 91.6 | Very high | 100 Ų | 100 | 51.5 Ų | 51.5 | 44% | 0.435 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | 4.3 | 175.9 | -73.6 | -179.5 | 174.9 | 179.3 | 0 | 114.3 | A35 F36 S37 I41 K56 Y57 | A35-K39 WeakPolarHBondContact O-CG 3.39Å; A35-K39 PolarHBondContact O-N 3.34Å; F36-K39 PolarHBondContact O-N 3.04Å; S37-K39 PolarHBondContact O-N 3.07Å; K39-I41 VanDerWaalsContact C-N 3.31Å; K39-I41 PolarHBondContact O-N 3.03Å; K39-K56 PolarHBondContact NZ-O 2.86Å; K39-Y57 HydrophobicContact CB-CD1 4.43Å; K39-Y57 HydrophobicContact CB-CE1 3.92Å; K39-Y57 HydrophobicContact CD-CD1 3.59Å; K39-Y57 HydrophobicContact CD-CE1 3.65Å; K39-Y57 HydrophobicContact CD-CG 4.18Å; K39-Y57 HydrophobicContact CG-CE1 4.39Å |
| 40 | N | 90.5 | Very high | 91.4 | Very high | 117 Ų | 117 | 54.3 Ų | 54.3 | 63% | 0.626 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.4 | 44.3 | 177.9 | -76.4 | -61.7 | 0 | 0 | 0 | 114.3 | F36 S37 S42 | F36-N40 PolarHBondContact O-N 3.42Å; S37-N40 PolarHBondContact O-N 3.43Å; N40-S42 PolarHBondContact O-N 3.31Å |
| 41 | I | 92.1 | Very high | 91.2 | Very high | 4 Ų | 4 | 51.9 Ų | 51.9 | 2% | 0.021 | 32% | 0.318 | C | S | . | . | trans | -61.3 | 129.5 | 176.4 | 59.6 | 166.2 | 0 | 0 | 0 | 111 | T15 V18 I19 L22 F36 K39 W45 Y57 | T15-I41 VanDerWaalsContact CA-O 3.26Å; T15-I41 WeakPolarHBondContact CA-O 3.45Å; V18-I41 HydrophobicContact CG1-CD1 3.56Å; V18-I41 HydrophobicContact CG1-CG1 3.99Å; I19-I41 HydrophobicContact CD1-CD1 4.1Å; I19-I41 HydrophobicContact CD1-CG1 4.26Å; L22-I41 HydrophobicContact CD1-CD1 3.79Å; F36-I41 HydrophobicContact CB-CD1 3.68Å; F36-I41 HydrophobicContact CB-CG1 4.13Å; F36-I41 HydrophobicContact CD2-CD1 4.24Å; F36-I41 HydrophobicContact CG-CD1 4Å; K39-I41 VanDerWaalsContact C-N 3.31Å; K39-I41 PolarHBondContact O-N 3.03Å; I41-W45 HydrophobicContact CB-CB 4.29Å; I41-W45 HydrophobicContact CB-CD2 3.9Å; I41-W45 HydrophobicContact CB-CE3 3.93Å; I41-W45 HydrophobicContact CB-CG 4.09Å; I41-W45 HydrophobicContact CD1-CD2 4.38Å; I41-W45 HydrophobicContact CD1-CE3 3.66Å; I41-W45 HydrophobicContact CD1-CH2 4.04Å; I41-W45 HydrophobicContact CD1-CZ3 3.47Å; I41-W45 VanDerWaalsContact CD1-CZ3 3.47Å; I41-W45 HydrophobicContact CG1-CE3 4.39Å; I41-W45 HydrophobicContact CG2-CD2 3.68Å; I41-W45 HydrophobicContact CG2-CE3 4.07Å; I41-W45 HydrophobicContact CG2-CG 3.93Å; I41-W45 HydrophobicContact CG2-CZ2 4.21Å; I41-W45 HydrophobicContact CG2-CZ3 4.5Å; I41-Y57 HydrophobicContact CG2-CD1 4.14Å; I41-Y57 HydrophobicContact CG2-CE1 3.52Å | ||
| 42 | S | 91.9 | Very high | 91 | Very high | 48 Ų | 48 | 52.4 Ų | 52.4 | 34% | 0.336 | 32% | 0.315 | S | S | . | . | trans | -110.6 | 171.9 | 179.7 | 63.9 | 0 | 0 | 0 | 0 | 111.5 | N40 K44 W45 | N40-S42 PolarHBondContact O-N 3.31Å; S42-K44 PolarHBondContact O-N 2.91Å; S42-W45 VanDerWaalsContact O-CB 3.28Å; S42-W45 WeakPolarHBondContact O-CB 3.28Å; S42-W45 PolarHBondContact O-N 3.22Å | ||
| 43 | G | 91 | Very high | 90.9 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -47.8 | -31.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y10 W13 L46 | Y10-G43 WeakPolarHBondContact O-CA 3.11Å; W13-G43 PolarHBondContact O-N 2.7Å; G43-L46 PolarHBondContact O-N 3.38Å |
| 44 | K | 91 | Very high | 90.9 | Very high | 141 Ų | 141 | 51.9 Ų | 51.9 | 61% | 0.613 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -30.4 | 176.9 | -59.4 | -178 | -177.7 | 178.9 | 0 | 113.1 | S42 L46 S47 S48 | S42-K44 PolarHBondContact O-N 2.91Å; K44-L46 VanDerWaalsContact C-N 3.27Å; K44-L46 PolarHBondContact O-N 2.62Å; K44-S47 PolarHBondContact O-N 3.34Å; K44-S47 PolarHBondContact O-OG 3.36Å; K44-S48 PolarHBondContact O-N 2.87Å; K44-S48 PolarHBondContact O-OG 3.35Å |
| 45 | W | 92.9 | Very high | 90.8 | Very high | 17 Ų | 17 | 51 Ų | 51 | 6% | 0.064 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -32.9 | 176.1 | 179.1 | 84.2 | 0 | 0 | 0 | 111.8 | F36 I41 S42 S47 S48 L49 L54 Y57 | F36-W45 HydrophobicContact CE1-CH2 4.25Å; F36-W45 HydrophobicContact CZ-CH2 4.31Å; I41-W45 HydrophobicContact CB-CB 4.29Å; I41-W45 HydrophobicContact CB-CD2 3.9Å; I41-W45 HydrophobicContact CB-CE3 3.93Å; I41-W45 HydrophobicContact CB-CG 4.09Å; I41-W45 HydrophobicContact CD1-CD2 4.38Å; I41-W45 HydrophobicContact CD1-CE3 3.66Å; I41-W45 HydrophobicContact CD1-CH2 4.04Å; I41-W45 HydrophobicContact CD1-CZ3 3.47Å; I41-W45 VanDerWaalsContact CD1-CZ3 3.47Å; I41-W45 HydrophobicContact CG1-CE3 4.39Å; I41-W45 HydrophobicContact CG2-CD2 3.68Å; I41-W45 HydrophobicContact CG2-CE3 4.07Å; I41-W45 HydrophobicContact CG2-CG 3.93Å; I41-W45 HydrophobicContact CG2-CZ2 4.21Å; I41-W45 HydrophobicContact CG2-CZ3 4.5Å; S42-W45 VanDerWaalsContact O-CB 3.28Å; S42-W45 WeakPolarHBondContact O-CB 3.28Å; S42-W45 PolarHBondContact O-N 3.22Å; W45-S47 PolarHBondContact O-N 2.96Å; W45-S48 PolarHBondContact O-N 3.04Å; W45-S48 PolarHBondContact O-OG 2.93Å; W45-L49 HydrophobicContact CD2-CD1 3.99Å; W45-L49 HydrophobicContact CE3-CD1 4.16Å; W45-L49 HydrophobicContact CH2-CD1 3.62Å; W45-L49 HydrophobicContact CZ2-CD1 3.39Å; W45-L49 HydrophobicContact CZ3-CD1 3.98Å; W45-L49 HydrophobicContact CZ3-CD2 4.44Å; W45-L49 PolarHBondContact O-N 2.96Å; W45-L54 HydrophobicContact CH2-CD2 4Å; W45-L54 HydrophobicContact CZ2-CD2 4.22Å; W45-Y57 AromaticContact CE2-CE1 3.98Å; W45-Y57 AromaticContact CZ2-CD1 3.83Å; W45-Y57 HydrophobicContact CZ2-CD1 3.83Å; W45-Y57 HydrophobicContact CZ2-CE1 4.17Å; W45-Y57 HydrophobicContact CZ2-CG 4.15Å; W45-Y57 AromaticContact NE1-CE1 3.54Å; W45-Y57 AromaticContact NE1-CE2 3.83Å; W45-Y57 AromaticContact NE1-CZ 3.42Å |
| 46 | L | 92 | Very high | 90.6 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -16 | 173.3 | -57.9 | 177.6 | 0 | 0 | 0 | 113.4 | Y10 W13 V18 W21 G43 K44 V72 L75 Q76 | Y10-L46 HydrophobicContact CD2-CB 4.21Å; Y10-L46 HydrophobicContact CD2-CD1 4.47Å; Y10-L46 HydrophobicContact CE2-CB 4.29Å; W13-L46 HydrophobicContact CE3-CD1 4.15Å; W13-L46 HydrophobicContact CZ3-CD1 4.18Å; V18-L46 HydrophobicContact CG1-CD1 4.18Å; V18-L46 HydrophobicContact CG1-CD2 4.13Å; V18-L46 HydrophobicContact CG1-CG 4.26Å; V18-L46 HydrophobicContact CG2-CD1 4.19Å; W21-L46 HydrophobicContact CE3-CD1 4.22Å; W21-L46 HydrophobicContact CZ3-CD1 4.22Å; W21-L46 HydrophobicContact CZ3-CD2 4.12Å; G43-L46 PolarHBondContact O-N 3.38Å; K44-L46 VanDerWaalsContact C-N 3.27Å; K44-L46 PolarHBondContact O-N 2.62Å; L46-V72 HydrophobicContact CD2-CG2 3.95Å; L46-V72 WeakPolarHBondContact O-CG1 3.49Å; L46-L75 HydrophobicContact CD1-CD2 4.12Å; L46-Q76 PolarHBondContact O-NE2 2.96Å |
| 47 | S | 86.7 | Confident | 90.4 | Very high | 62 Ų | 62 | 59.8 Ų | 59.8 | 43% | 0.434 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | -23.9 | 175.5 | 70.3 | 0 | 0 | 0 | 0 | 113.8 | K44 W45 | K44-S47 PolarHBondContact O-N 3.34Å; K44-S47 PolarHBondContact O-OG 3.36Å; W45-S47 PolarHBondContact O-N 2.96Å |
| 48 | S | 87.3 | Confident | 90.2 | Very high | 73 Ų | 73 | 59.1 Ų | 59.1 | 51% | 0.51 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -103.9 | 16.7 | -179.2 | 52 | 0 | 0 | 0 | 0 | 113.8 | K44 W45 T50 | K44-S48 PolarHBondContact O-N 2.87Å; K44-S48 PolarHBondContact O-OG 3.35Å; W45-S48 PolarHBondContact O-N 3.04Å; W45-S48 PolarHBondContact O-OG 2.93Å; S48-T50 PolarHBondContact O-N 3.16Å |
| 49 | L | 90.1 | Very high | 90.3 | Very high | 20 Ų | 20 | 55.2 Ų | 55.2 | 11% | 0.105 | 30% | 0.304 | C | S | . | . | trans | -79.7 | 115.1 | -169.4 | -162 | 68.2 | 0 | 0 | 0 | 113.3 | W45 V53 L54 I68 L69 V72 | W45-L49 HydrophobicContact CD2-CD1 3.99Å; W45-L49 HydrophobicContact CE3-CD1 4.16Å; W45-L49 HydrophobicContact CH2-CD1 3.62Å; W45-L49 HydrophobicContact CZ2-CD1 3.39Å; W45-L49 HydrophobicContact CZ3-CD1 3.98Å; W45-L49 HydrophobicContact CZ3-CD2 4.44Å; W45-L49 PolarHBondContact O-N 2.96Å; L49-V53 HydrophobicContact CD1-CG1 4.03Å; L49-L54 HydrophobicContact CD1-CD1 4.47Å; L49-L54 HydrophobicContact CD1-CD2 3.87Å; L49-L54 HydrophobicContact CD1-CG 3.81Å; L49-L54 HydrophobicContact CD2-CD1 4.16Å; L49-L54 HydrophobicContact CD2-CD2 4.27Å; L49-L54 HydrophobicContact CD2-CG 4.32Å; L49-L54 HydrophobicContact CG-CD1 4.18Å; L49-L54 HydrophobicContact CG-CD2 4.37Å; L49-L54 HydrophobicContact CG-CG 4.05Å; L49-I68 HydrophobicContact CD2-CG2 3.69Å; L49-L69 HydrophobicContact CB-CD2 4.41Å; L49-L69 HydrophobicContact CD2-CD2 4.12Å; L49-L69 HydrophobicContact CG-CD2 3.99Å; L49-L69 WeakPolarHBondContact O-CD2 3.27Å; L49-V72 HydrophobicContact CD2-CB 4.4Å; L49-V72 HydrophobicContact CD2-CG1 4.45Å; L49-V72 HydrophobicContact CD2-CG2 3.88Å | ||
| 50 | T | 89.4 | Confident | 90.3 | Very high | 59 Ų | 59 | 57.2 Ų | 57.2 | 36% | 0.362 | 32% | 0.315 | S | S | . | . | trans | -114.6 | 172.9 | 169.2 | 80.6 | 0 | 0 | 0 | 0 | 111.5 | S48 D52 V53 L54 | S48-T50 PolarHBondContact O-N 3.16Å; T50-D52 VanDerWaalsContact C-N 3.29Å; T50-D52 WeakPolarHBondContact CB-OD2 3.29Å; T50-D52 PolarHBondContact O-N 3.38Å; T50-D52 PolarHBondContact OG1-N 3.48Å; T50-D52 PolarHBondContact OG1-OD2 2.98Å; T50-V53 PolarHBondContact O-N 3.22Å; T50-V53 PolarHBondContact OG1-N 2.89Å; T50-L54 PolarHBondContact O-N 2.95Å | ||
| 51 | A | 88.2 | Confident | 90.3 | Very high | 37 Ų | 37 | 57.8 Ų | 57.8 | 31% | 0.306 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -61.7 | -38.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L54 D55 L69 | A51-L54 WeakPolarHBondContact O-CB 3.33Å; A51-L54 PolarHBondContact O-N 2.76Å; A51-D55 PolarHBondContact O-N 3.26Å; A51-L69 HydrophobicContact CB-CD1 4.25Å |
| 52 | D | 89.9 | Confident | 90.1 | Very high | 106 Ų | 106 | 62.5 Ų | 62.5 | 57% | 0.567 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -71.1 | -33.7 | -179.5 | -25.5 | -89.4 | 0 | 0 | 0 | 111.7 | T50 K56 | T50-D52 VanDerWaalsContact C-N 3.29Å; T50-D52 WeakPolarHBondContact CB-OD2 3.29Å; T50-D52 PolarHBondContact O-N 3.38Å; T50-D52 PolarHBondContact OG1-N 3.48Å; T50-D52 PolarHBondContact OG1-OD2 2.98Å; D52-K56 VanDerWaalsContact O-CG 3.28Å; D52-K56 WeakPolarHBondContact O-CG 3.45Å; D52-K56 PolarHBondContact O-N 3.49Å; D52-K56 VanDerWaalsContact O-N 3.1Å |
| 53 | V | 91.7 | Very high | 89.7 | Confident | 37 Ų | 37 | 61.2 Ų | 61.2 | 22% | 0.224 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -65.6 | -44.5 | 169.3 | 176 | 0 | 0 | 0 | 0 | 110.1 | L49 T50 D55 K56 Y57 | L49-V53 HydrophobicContact CD1-CG1 4.03Å; T50-V53 PolarHBondContact O-N 3.22Å; T50-V53 PolarHBondContact OG1-N 2.89Å; V53-D55 VanDerWaalsContact C-N 3.34Å; V53-D55 PolarHBondContact O-N 3.11Å; V53-K56 PolarHBondContact O-N 3.26Å; V53-Y57 HydrophobicContact CG1-CD2 4.23Å; V53-Y57 HydrophobicContact CG1-CE2 4.18Å; V53-Y57 WeakPolarHBondContact O-CD2 3.38Å; V53-Y57 PolarHBondContact O-N 2.91Å; V53-Y57 VanDerWaalsContact O-N 3.12Å |
| 54 | L | 92.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -64.1 | -37 | 177.1 | -77.3 | 169.3 | 0 | 0 | 0 | 112.8 | W45 L49 T50 A51 Y57 G58 V59 Q65 I68 L69 | W45-L54 HydrophobicContact CH2-CD2 4Å; W45-L54 HydrophobicContact CZ2-CD2 4.22Å; L49-L54 HydrophobicContact CD1-CD1 4.47Å; L49-L54 HydrophobicContact CD1-CD2 3.87Å; L49-L54 HydrophobicContact CD1-CG 3.81Å; L49-L54 HydrophobicContact CD2-CD1 4.16Å; L49-L54 HydrophobicContact CD2-CD2 4.27Å; L49-L54 HydrophobicContact CD2-CG 4.32Å; L49-L54 HydrophobicContact CG-CD1 4.18Å; L49-L54 HydrophobicContact CG-CD2 4.37Å; L49-L54 HydrophobicContact CG-CG 4.05Å; T50-L54 PolarHBondContact O-N 2.95Å; A51-L54 WeakPolarHBondContact O-CB 3.33Å; A51-L54 PolarHBondContact O-N 2.76Å; L54-Y57 CarbonylContact O-C 3.39Å; L54-Y57 WeakPolarHBondContact O-CA 3.37Å; L54-Y57 PolarHBondContact O-N 3.42Å; L54-Y57 VanDerWaalsContact O-N 3.1Å; L54-G58 PolarHBondContact O-N 2.68Å; L54-V59 HydrophobicContact CB-CB 4.22Å; L54-V59 HydrophobicContact CD2-CG2 4.18Å; L54-V59 WeakPolarHBondContact O-CB 3.37Å; L54-V59 PolarHBondContact O-N 3.21Å; L54-Q65 HydrophobicContact CB-CG 4.21Å; L54-Q65 HydrophobicContact CD1-CB 4.25Å; L54-I68 HydrophobicContact CD1-CB 4.29Å; L54-I68 HydrophobicContact CD1-CG2 4.38Å; L54-I68 HydrophobicContact CD2-CD1 4.01Å; L54-I68 HydrophobicContact CD2-CG2 4.3Å; L54-L69 HydrophobicContact CD1-CD1 4.11Å; L54-L69 HydrophobicContact CD1-CD2 3.93Å; L54-L69 HydrophobicContact CD1-CG 3.7Å |
| 55 | D | 90.3 | Very high | 89.7 | Confident | 70 Ų | 70 | 57.3 Ų | 57.3 | 37% | 0.374 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -64.2 | -47.5 | 175.6 | -161.7 | 68.3 | 0 | 0 | 0 | 111.9 | A51 V53 Y57 G58 Q60 | A51-D55 PolarHBondContact O-N 3.26Å; V53-D55 VanDerWaalsContact C-N 3.34Å; V53-D55 PolarHBondContact O-N 3.11Å; D55-Y57 PolarHBondContact O-N 2.64Å; D55-Y57 VanDerWaalsContact O-N 3.07Å; D55-G58 PolarHBondContact O-N 3.23Å; D55-Q60 WeakPolarHBondContact OD1-CA 3.48Å; D55-Q60 WeakPolarHBondContact OD1-CG 3.46Å |
| 56 | K | 88.9 | Confident | 89.4 | Confident | 164 Ų | 164 | 61.6 Ų | 61.6 | 71% | 0.713 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -60 | -17 | 170.5 | -70.2 | 170.2 | -176.7 | 178.4 | 0 | 113.7 | K39 D52 V53 | K39-K56 PolarHBondContact NZ-O 2.86Å; D52-K56 VanDerWaalsContact O-CG 3.28Å; D52-K56 WeakPolarHBondContact O-CG 3.45Å; D52-K56 PolarHBondContact O-N 3.49Å; D52-K56 VanDerWaalsContact O-N 3.1Å; V53-K56 PolarHBondContact O-N 3.26Å |
| 57 | Y | 89 | Confident | 89.2 | Confident | 60 Ų | 60 | 63.5 Ų | 63.5 | 24% | 0.235 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | 2.6 | 175.2 | -81.2 | -119.6 | 0 | 0 | 0 | 113.3 | F36 K39 I41 W45 V53 L54 D55 | F36-Y57 HydrophobicContact CD1-CD1 4.3Å; K39-Y57 HydrophobicContact CB-CD1 4.43Å; K39-Y57 HydrophobicContact CB-CE1 3.92Å; K39-Y57 HydrophobicContact CD-CD1 3.59Å; K39-Y57 HydrophobicContact CD-CE1 3.65Å; K39-Y57 HydrophobicContact CD-CG 4.18Å; K39-Y57 HydrophobicContact CG-CE1 4.39Å; I41-Y57 HydrophobicContact CG2-CD1 4.14Å; I41-Y57 HydrophobicContact CG2-CE1 3.52Å; W45-Y57 AromaticContact CE2-CE1 3.98Å; W45-Y57 AromaticContact CZ2-CD1 3.83Å; W45-Y57 HydrophobicContact CZ2-CD1 3.83Å; W45-Y57 HydrophobicContact CZ2-CE1 4.17Å; W45-Y57 HydrophobicContact CZ2-CG 4.15Å; W45-Y57 AromaticContact NE1-CE1 3.54Å; W45-Y57 AromaticContact NE1-CE2 3.83Å; W45-Y57 AromaticContact NE1-CZ 3.42Å; V53-Y57 HydrophobicContact CG1-CD2 4.23Å; V53-Y57 HydrophobicContact CG1-CE2 4.18Å; V53-Y57 WeakPolarHBondContact O-CD2 3.38Å; V53-Y57 PolarHBondContact O-N 2.91Å; V53-Y57 VanDerWaalsContact O-N 3.12Å; L54-Y57 CarbonylContact O-C 3.39Å; L54-Y57 WeakPolarHBondContact O-CA 3.37Å; L54-Y57 PolarHBondContact O-N 3.42Å; L54-Y57 VanDerWaalsContact O-N 3.1Å; D55-Y57 PolarHBondContact O-N 2.64Å; D55-Y57 VanDerWaalsContact O-N 3.07Å |
| 58 | G | 89 | Confident | 89.5 | Confident | 44 Ų | 44 | 60.5 Ų | 60.5 | 45% | 0.454 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 97.9 | -1.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | L54 D55 Q60 | L54-G58 PolarHBondContact O-N 2.68Å; D55-G58 PolarHBondContact O-N 3.23Å; G58-Q60 VanDerWaalsContact C-N 3.27Å; G58-Q60 PolarHBondContact O-N 3.31Å |
| 59 | V | 91.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 31% | 0.307 | C | S | . | . | trans | -86.9 | 66.6 | -179.8 | -166 | 0 | 0 | 0 | 0 | 109.8 | Y32 F36 L54 K61 H64 Q65 I68 | Y32-V59 HydrophobicContact CD1-CG2 3.9Å; Y32-V59 HydrophobicContact CD2-CG1 4.49Å; Y32-V59 HydrophobicContact CD2-CG2 4.21Å; Y32-V59 HydrophobicContact CE1-CB 4.41Å; Y32-V59 HydrophobicContact CE1-CG1 4.5Å; Y32-V59 HydrophobicContact CE1-CG2 4.17Å; Y32-V59 HydrophobicContact CE2-CG1 4.06Å; Y32-V59 HydrophobicContact CE2-CG2 4.46Å; Y32-V59 HydrophobicContact CG-CG2 3.92Å; F36-V59 HydrophobicContact CE1-CG2 3.84Å; F36-V59 HydrophobicContact CZ-CG2 3.65Å; L54-V59 HydrophobicContact CB-CB 4.22Å; L54-V59 HydrophobicContact CD2-CG2 4.18Å; L54-V59 WeakPolarHBondContact O-CB 3.37Å; L54-V59 PolarHBondContact O-N 3.21Å; V59-K61 VanDerWaalsContact C-N 3.25Å; V59-K61 PolarHBondContact O-N 3.36Å; V59-H64 HydrophobicContact CG1-CB 3.81Å; V59-Q65 HydrophobicContact CB-CG 4.43Å; V59-Q65 HydrophobicContact CG1-CG 4.02Å; V59-Q65 WeakPolarHBondContact O-CG 3.45Å; V59-Q65 PolarHBondContact O-NE2 2.95Å; V59-I68 HydrophobicContact CG1-CD1 4.31Å; V59-I68 HydrophobicContact CG2-CD1 4.47Å | ||
| 60 | Q | 89.6 | Confident | 89.5 | Confident | 143 Ų | 143 | 60.5 Ų | 60.5 | 67% | 0.668 | 32% | 0.317 | S | S | * | . | trans | -72 | -19.4 | -178.8 | -55.4 | -170.5 | -36.7 | 0 | 0 | 113.4 | D55 G58 I62 | D55-Q60 WeakPolarHBondContact OD1-CA 3.48Å; D55-Q60 WeakPolarHBondContact OD1-CG 3.46Å; G58-Q60 VanDerWaalsContact C-N 3.27Å; G58-Q60 PolarHBondContact O-N 3.31Å; Q60-I62 PolarHBondContact O-N 3Å; Q60-I62 VanDerWaalsContact O-N 3.07Å | ||
| 61 | K | 91.3 | Very high | 89.7 | Confident | 129 Ų | 129 | 58.3 Ų | 58.3 | 56% | 0.561 | 30% | 0.303 | S | S | * | . | trans | -74.6 | 102.1 | -179.9 | -69.6 | -175.9 | 178.1 | 178.5 | 0 | 110.1 | V59 G63 H64 Q65 | V59-K61 VanDerWaalsContact C-N 3.25Å; V59-K61 PolarHBondContact O-N 3.36Å; K61-G63 PolarHBondContact O-N 3.43Å; K61-H64 HydrophobicContact CB-CB 4.23Å; K61-H64 WeakPolarHBondContact CB-CD2 3.23Å; K61-H64 VanDerWaalsContact CD-NE2 3.29Å; K61-H64 WeakPolarHBondContact CD-NE2 3.44Å; K61-H64 WeakPolarHBondContact O-CA 3.28Å; K61-H64 WeakPolarHBondContact O-CB 3.45Å; K61-H64 PolarHBondContact O-N 3.05Å; K61-Q65 PolarHBondContact O-N 2.7Å | ||
| 62 | I | 87.7 | Confident | 89.9 | Confident | 102 Ų | 102 | 56.8 Ų | 56.8 | 52% | 0.523 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -43.3 | -38.3 | 176.6 | -60.1 | 168.6 | 0 | 0 | 0 | 113.3 | Q60 H64 Q65 M66 | Q60-I62 PolarHBondContact O-N 3Å; Q60-I62 VanDerWaalsContact O-N 3.07Å; I62-H64 PolarHBondContact O-N 2.98Å; I62-Q65 PolarHBondContact O-N 3.15Å; I62-M66 HydrophobicContact CG2-CG 4.43Å; I62-M66 WeakPolarHBondContact O-CB 3.46Å; I62-M66 VanDerWaalsContact O-CG 3.27Å; I62-M66 WeakPolarHBondContact O-CG 3.33Å; I62-M66 PolarHBondContact O-N 2.73Å |
| 63 | G | 82.5 | Confident | 89.9 | Confident | 22 Ų | 22 | 58.3 Ų | 58.3 | 23% | 0.227 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.9 | -40.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | K61 I67 | K61-G63 PolarHBondContact O-N 3.43Å; G63-I67 WeakPolarHBondContact O-CG1 3.07Å; G63-I67 PolarHBondContact O-N 2.78Å |
| 64 | H | 92.8 | Very high | 89.8 | Confident | 39 Ų | 39 | 57.8 Ų | 57.8 | 18% | 0.181 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -75.8 | -39.3 | 179.4 | -57.8 | -135.9 | 0 | 0 | 0 | 109.9 | A28 Y32 V59 K61 I62 M66 I67 I68 | A28-H64 PolarHBondContact O-CE1 2.76Å; A28-H64 PolarHBondContact O-ND1 2.84Å; Y32-H64 HydrophobicContact CE2-CB 4.24Å; Y32-H64 AromaticContact CE2-ND1 3.56Å; V59-H64 HydrophobicContact CG1-CB 3.81Å; K61-H64 HydrophobicContact CB-CB 4.23Å; K61-H64 WeakPolarHBondContact CB-CD2 3.23Å; K61-H64 VanDerWaalsContact CD-NE2 3.29Å; K61-H64 WeakPolarHBondContact CD-NE2 3.44Å; K61-H64 WeakPolarHBondContact O-CA 3.28Å; K61-H64 WeakPolarHBondContact O-CB 3.45Å; K61-H64 PolarHBondContact O-N 3.05Å; I62-H64 PolarHBondContact O-N 2.98Å; H64-M66 VanDerWaalsContact C-N 3.32Å; H64-M66 PolarHBondContact O-N 2.93Å; H64-I67 PolarHBondContact O-N 3.28Å; H64-I68 WeakPolarHBondContact O-CG1 3.36Å; H64-I68 PolarHBondContact O-N 3.28Å; H64-I68 VanDerWaalsContact O-N 3.14Å |
| 65 | Q | 91.2 | Very high | 89.8 | Confident | 19 Ų | 19 | 57.8 Ų | 57.8 | 9% | 0.089 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -54.3 | -48.5 | 170.2 | -63.7 | 177.1 | -14.8 | 0 | 0 | 111.3 | L54 V59 K61 I62 I67 I68 L69 | L54-Q65 HydrophobicContact CB-CG 4.21Å; L54-Q65 HydrophobicContact CD1-CB 4.25Å; V59-Q65 HydrophobicContact CB-CG 4.43Å; V59-Q65 HydrophobicContact CG1-CG 4.02Å; V59-Q65 WeakPolarHBondContact O-CG 3.45Å; V59-Q65 PolarHBondContact O-NE2 2.95Å; K61-Q65 PolarHBondContact O-N 2.7Å; I62-Q65 PolarHBondContact O-N 3.15Å; Q65-I67 PolarHBondContact O-N 3.04Å; Q65-I68 PolarHBondContact O-N 3.2Å; Q65-L69 WeakPolarHBondContact O-CB 3.42Å; Q65-L69 VanDerWaalsContact O-CG 3.26Å; Q65-L69 WeakPolarHBondContact O-CG 3.26Å; Q65-L69 PolarHBondContact O-N 3.1Å |
| 66 | M | 85.4 | Confident | 89.8 | Confident | 107 Ų | 107 | 57.3 Ų | 57.3 | 53% | 0.527 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -62 | -39.5 | -179.9 | -77.3 | -63.7 | -60.9 | 0 | 0 | 112.9 | I62 H64 E70 | I62-M66 HydrophobicContact CG2-CG 4.43Å; I62-M66 WeakPolarHBondContact O-CB 3.46Å; I62-M66 VanDerWaalsContact O-CG 3.27Å; I62-M66 WeakPolarHBondContact O-CG 3.33Å; I62-M66 PolarHBondContact O-N 2.73Å; H64-M66 VanDerWaalsContact C-N 3.32Å; H64-M66 PolarHBondContact O-N 2.93Å; M66-E70 WeakPolarHBondContact O-CB 3.49Å; M66-E70 PolarHBondContact O-N 3.38Å |
| 67 | I | 88.5 | Confident | 89.7 | Confident | 40 Ų | 40 | 53.6 Ų | 53.6 | 21% | 0.205 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.2 | -50.1 | 176.2 | -65.5 | 161.7 | 0 | 0 | 0 | 110.3 | D26 I29 G63 H64 Q65 L69 E70 K71 | D26-I67 HydrophobicContact CB-CD1 4.44Å; D26-I67 HydrophobicContact CB-CG2 3.86Å; I29-I67 HydrophobicContact CD1-CG2 3.93Å; G63-I67 WeakPolarHBondContact O-CG1 3.07Å; G63-I67 PolarHBondContact O-N 2.78Å; H64-I67 PolarHBondContact O-N 3.28Å; Q65-I67 PolarHBondContact O-N 3.04Å; I67-L69 PolarHBondContact O-N 2.99Å; I67-E70 PolarHBondContact O-N 3.33Å; I67-K71 WeakPolarHBondContact O-CB 3.4Å; I67-K71 VanDerWaalsContact O-CG 3.26Å; I67-K71 WeakPolarHBondContact O-CG 3.39Å; I67-K71 PolarHBondContact O-N 3.23Å |
| 68 | I | 93 | Very high | 89.5 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.3 | -46 | -179.6 | -58.5 | 167.8 | 0 | 0 | 0 | 110.2 | L22 I29 F36 L49 L54 V59 H64 Q65 K71 V72 | L22-I68 HydrophobicContact CD2-CG2 4.3Å; I29-I68 HydrophobicContact CD1-CG1 3.75Å; I29-I68 HydrophobicContact CG1-CD1 4.34Å; I29-I68 HydrophobicContact CG1-CG1 4.01Å; F36-I68 HydrophobicContact CE2-CD1 4.49Å; F36-I68 HydrophobicContact CZ-CD1 4.24Å; L49-I68 HydrophobicContact CD2-CG2 3.69Å; L54-I68 HydrophobicContact CD1-CB 4.29Å; L54-I68 HydrophobicContact CD1-CG2 4.38Å; L54-I68 HydrophobicContact CD2-CD1 4.01Å; L54-I68 HydrophobicContact CD2-CG2 4.3Å; V59-I68 HydrophobicContact CG1-CD1 4.31Å; V59-I68 HydrophobicContact CG2-CD1 4.47Å; H64-I68 WeakPolarHBondContact O-CG1 3.36Å; H64-I68 PolarHBondContact O-N 3.28Å; H64-I68 VanDerWaalsContact O-N 3.14Å; Q65-I68 PolarHBondContact O-N 3.2Å; I68-K71 PolarHBondContact O-N 3.44Å; I68-V72 HydrophobicContact CG2-CG2 4.17Å; I68-V72 WeakPolarHBondContact O-CB 3.36Å; I68-V72 VanDerWaalsContact O-CG2 3.3Å; I68-V72 WeakPolarHBondContact O-CG2 3.49Å; I68-V72 PolarHBondContact O-N 3.1Å |
| 69 | L | 90.2 | Very high | 89.4 | Confident | 25 Ų | 25 | 51 Ų | 51 | 13% | 0.131 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -67.7 | -35.3 | 179.6 | -67.1 | 169.5 | 0 | 0 | 0 | 113.1 | L49 A51 L54 Q65 I67 K73 | L49-L69 HydrophobicContact CB-CD2 4.41Å; L49-L69 HydrophobicContact CD2-CD2 4.12Å; L49-L69 HydrophobicContact CG-CD2 3.99Å; L49-L69 WeakPolarHBondContact O-CD2 3.27Å; A51-L69 HydrophobicContact CB-CD1 4.25Å; L54-L69 HydrophobicContact CD1-CD1 4.11Å; L54-L69 HydrophobicContact CD1-CD2 3.93Å; L54-L69 HydrophobicContact CD1-CG 3.7Å; Q65-L69 WeakPolarHBondContact O-CB 3.42Å; Q65-L69 VanDerWaalsContact O-CG 3.26Å; Q65-L69 WeakPolarHBondContact O-CG 3.26Å; Q65-L69 PolarHBondContact O-N 3.1Å; I67-L69 PolarHBondContact O-N 2.99Å; L69-K73 WeakPolarHBondContact O-CB 3.37Å; L69-K73 VanDerWaalsContact O-CG 3.24Å; L69-K73 WeakPolarHBondContact O-CG 3.48Å; L69-K73 PolarHBondContact O-N 2.82Å; L69-K73 VanDerWaalsContact O-N 3.12Å |
| 70 | E | 87.1 | Confident | 88.9 | Confident | 68 Ų | 68 | 54.6 Ų | 54.6 | 32% | 0.318 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -61.9 | -46.9 | 172.3 | -173.9 | -175.7 | 151.8 | 0 | 0 | 110.1 | M66 I67 K73 Q74 K604 | M66-E70 WeakPolarHBondContact O-CB 3.49Å; M66-E70 PolarHBondContact O-N 3.38Å; I67-E70 PolarHBondContact O-N 3.33Å; E70-K73 PolarHBondContact O-N 2.82Å; E70-Q74 WeakPolarHBondContact O-CB 3.42Å; E70-Q74 PolarHBondContact O-N 2.84Å; E70-K604 IonicContact OE1-NZ 2.77Å; E70-K604 PolarHBondContact OE1-NZ 3.06Å; E70-K604 IonicContact OE2-NZ 3.91Å; E70-K604 PolarHBondContact OE2-NZ 3.1Å |
| 71 | K | 92.7 | Very high | 88.4 | Confident | 13 Ų | 13 | 48 Ų | 48 | 6% | 0.057 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -75.9 | -33.7 | -175.7 | -64.5 | -69.6 | 159.1 | -172.9 | 0 | 113.7 | W21 L25 I67 I68 Q74 L75 N248 N249 G284 | W21-K71 HydrophobicContact CH2-CB 4.32Å; W21-K71 HydrophobicContact CZ2-CB 4.44Å; L25-K71 HydrophobicContact CD1-CB 3.84Å; L25-K71 HydrophobicContact CD1-CG 4.36Å; L25-K71 HydrophobicContact CD2-CB 3.98Å; L25-K71 HydrophobicContact CD2-CD 4.26Å; L25-K71 HydrophobicContact CD2-CG 4.11Å; L25-K71 HydrophobicContact CG-CB 4.46Å; I67-K71 WeakPolarHBondContact O-CB 3.4Å; I67-K71 VanDerWaalsContact O-CG 3.26Å; I67-K71 WeakPolarHBondContact O-CG 3.39Å; I67-K71 PolarHBondContact O-N 3.23Å; I68-K71 PolarHBondContact O-N 3.44Å; K71-Q74 WeakPolarHBondContact O-CB 3.45Å; K71-Q74 PolarHBondContact O-N 2.8Å; K71-L75 WeakPolarHBondContact O-CB 3.41Å; K71-L75 PolarHBondContact O-N 2.91Å; K71-N248 PolarHBondContact NZ-O 2.82Å; K71-N249 PolarHBondContact NZ-ND2 3.45Å; K71-G284 WeakPolarHBondContact CD-O 3.5Å |
| 72 | V | 93.8 | Very high | 87.6 | Confident | 4 Ų | 4 | 42.2 Ų | 42.2 | 2% | 0.024 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -66.5 | -42.5 | 171.5 | 166.6 | 0 | 0 | 0 | 0 | 111 | W21 L46 L49 I68 Q74 L75 Q76 | W21-V72 HydrophobicContact CH2-CG2 3.77Å; W21-V72 HydrophobicContact CZ3-CG2 3.86Å; L46-V72 HydrophobicContact CD2-CG2 3.95Å; L46-V72 WeakPolarHBondContact O-CG1 3.49Å; L49-V72 HydrophobicContact CD2-CB 4.4Å; L49-V72 HydrophobicContact CD2-CG1 4.45Å; L49-V72 HydrophobicContact CD2-CG2 3.88Å; I68-V72 HydrophobicContact CG2-CG2 4.17Å; I68-V72 WeakPolarHBondContact O-CB 3.36Å; I68-V72 VanDerWaalsContact O-CG2 3.3Å; I68-V72 WeakPolarHBondContact O-CG2 3.49Å; I68-V72 PolarHBondContact O-N 3.1Å; V72-Q74 VanDerWaalsContact C-N 3.33Å; V72-Q74 PolarHBondContact O-N 3.01Å; V72-L75 WeakPolarHBondContact O-CB 3.49Å; V72-L75 PolarHBondContact O-N 2.87Å; V72-Q76 HydrophobicContact CG1-CG 4.43Å; V72-Q76 WeakPolarHBondContact O-CB 3.27Å; V72-Q76 VanDerWaalsContact O-CG 3.25Å; V72-Q76 WeakPolarHBondContact O-CG 3.42Å; V72-Q76 PolarHBondContact O-N 2.79Å |
| 73 | K | 89.2 | Confident | 86.6 | Confident | 138 Ų | 138 | 40.4 Ų | 40.4 | 60% | 0.6 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -62.4 | -39.2 | 172.5 | -73.7 | 173 | -178.8 | -179.2 | 0 | 112.1 | L69 E70 Y77 | L69-K73 WeakPolarHBondContact O-CB 3.37Å; L69-K73 VanDerWaalsContact O-CG 3.24Å; L69-K73 WeakPolarHBondContact O-CG 3.48Å; L69-K73 PolarHBondContact O-N 2.82Å; L69-K73 VanDerWaalsContact O-N 3.12Å; E70-K73 PolarHBondContact O-N 2.82Å; K73-Y77 VanDerWaalsContact O-CB 3.29Å; K73-Y77 WeakPolarHBondContact O-CB 3.47Å; K73-Y77 PolarHBondContact O-N 2.87Å |
| 74 | Q | 89.2 | Confident | 86.2 | Confident | 27 Ų | 27 | 45 Ų | 45 | 13% | 0.126 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.2 | -42.5 | 173.4 | -178.4 | 178.4 | -1.7 | 0 | 0 | 112.4 | E70 K71 V72 Q78 N248 N249 I283 | E70-Q74 WeakPolarHBondContact O-CB 3.42Å; E70-Q74 PolarHBondContact O-N 2.84Å; K71-Q74 WeakPolarHBondContact O-CB 3.45Å; K71-Q74 PolarHBondContact O-N 2.8Å; V72-Q74 VanDerWaalsContact C-N 3.33Å; V72-Q74 PolarHBondContact O-N 3.01Å; Q74-Q78 WeakPolarHBondContact O-CB 3.48Å; Q74-Q78 WeakPolarHBondContact O-CG 3.35Å; Q74-Q78 PolarHBondContact O-N 2.92Å; Q74-N248 VanDerWaalsContact CD-O 3.28Å; Q74-N248 PolarHBondContact NE2-O 3Å; Q74-N248 PolarHBondContact OE1-O 3.18Å; Q74-N249 PolarHBondContact NE2-O 3.47Å; Q74-I283 HydrophobicContact CG-CG2 4.46Å |
| 75 | L | 93 | Very high | 85.5 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.6 | -51.5 | 176.7 | -176 | 71.2 | 0 | 0 | 0 | 111.4 | Y10 W13 W21 L46 K71 V72 Y77 Q78 F79 I281 I283 | Y10-L75 HydrophobicContact CD2-CD2 4.44Å; Y10-L75 HydrophobicContact CG-CD2 4.21Å; W13-L75 HydrophobicContact CH2-CD1 3.89Å; W13-L75 HydrophobicContact CH2-CD2 3.86Å; W13-L75 HydrophobicContact CH2-CG 4.49Å; W13-L75 HydrophobicContact CZ3-CD2 3.92Å; W21-L75 HydrophobicContact CD2-CD2 4.34Å; W21-L75 HydrophobicContact CE3-CD2 4.41Å; W21-L75 HydrophobicContact CH2-CB 4.21Å; W21-L75 HydrophobicContact CH2-CD2 3.92Å; W21-L75 HydrophobicContact CZ2-CB 3.87Å; W21-L75 HydrophobicContact CZ2-CD1 4.22Å; W21-L75 HydrophobicContact CZ2-CD2 3.83Å; W21-L75 HydrophobicContact CZ2-CG 4.19Å; W21-L75 HydrophobicContact CZ3-CD2 4.2Å; L46-L75 HydrophobicContact CD1-CD2 4.12Å; K71-L75 WeakPolarHBondContact O-CB 3.41Å; K71-L75 PolarHBondContact O-N 2.91Å; V72-L75 WeakPolarHBondContact O-CB 3.49Å; V72-L75 PolarHBondContact O-N 2.87Å; L75-Y77 VanDerWaalsContact C-N 3.33Å; L75-Y77 PolarHBondContact O-N 2.87Å; L75-Q78 PolarHBondContact O-N 3.27Å; L75-F79 HydrophobicContact CD1-CD2 3.92Å; L75-F79 HydrophobicContact CD1-CE2 3.78Å; L75-F79 HydrophobicContact CG-CD2 4.19Å; L75-F79 HydrophobicContact CG-CE2 4.4Å; L75-F79 PolarHBondContact O-N 2.85Å; L75-I281 HydrophobicContact CD1-CG2 4.26Å; L75-I283 HydrophobicContact CD1-CB 3.96Å; L75-I283 HydrophobicContact CD1-CD1 3.89Å; L75-I283 HydrophobicContact CD1-CG2 4.13Å |
| 76 | Q | 90.5 | Very high | 85.1 | Confident | 60 Ų | 60 | 43.5 Ų | 43.5 | 28% | 0.28 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -56.6 | -46.5 | 176.7 | -69.5 | 170.8 | -1.5 | 0 | 0 | 111.3 | L46 V72 F79 S80 | L46-Q76 PolarHBondContact O-NE2 2.96Å; V72-Q76 HydrophobicContact CG1-CG 4.43Å; V72-Q76 WeakPolarHBondContact O-CB 3.27Å; V72-Q76 VanDerWaalsContact O-CG 3.25Å; V72-Q76 WeakPolarHBondContact O-CG 3.42Å; V72-Q76 PolarHBondContact O-N 2.79Å; Q76-F79 PolarHBondContact O-N 3.28Å; Q76-S80 PolarHBondContact O-N 3.17Å |
| 77 | Y | 85.4 | Confident | 85.2 | Confident | 86 Ų | 86 | 38.4 Ų | 38.4 | 34% | 0.337 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -58.8 | -52.5 | 177.4 | -177.3 | -86.5 | 0 | 0 | 0 | 111.8 | K73 L75 F79 S80 S81 E85 R93 N148 | K73-Y77 VanDerWaalsContact O-CB 3.29Å; K73-Y77 WeakPolarHBondContact O-CB 3.47Å; K73-Y77 PolarHBondContact O-N 2.87Å; L75-Y77 VanDerWaalsContact C-N 3.33Å; L75-Y77 PolarHBondContact O-N 2.87Å; Y77-F79 PolarHBondContact O-N 3.26Å; Y77-S80 PolarHBondContact O-N 3.42Å; Y77-S80 VanDerWaalsContact O-N 3.13Å; Y77-S80 PolarHBondContact O-OG 2.81Å; Y77-S81 PolarHBondContact O-N 2.89Å; Y77-E85 PolarHBondContact OH-OE1 2.97Å; Y77-R93 PolarHBondContact OH-NH1 3.28Å; Y77-R93 PolarHBondContact OH-NH2 2.9Å; Y77-N148 PolarHBondContact OH-ND2 2.84Å; Y77-N148 VanDerWaalsContact OH-ND2 3.08Å |
| 78 | Q | 86.4 | Confident | 85.1 | Confident | 18 Ų | 18 | 40 Ų | 40 | 8% | 0.084 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -57.7 | -49.4 | -179.8 | -79.9 | -73.9 | -2.5 | 0 | 0 | 111.1 | Q74 L75 S80 S81 F82 I283 | Q74-Q78 WeakPolarHBondContact O-CB 3.48Å; Q74-Q78 WeakPolarHBondContact O-CG 3.35Å; Q74-Q78 PolarHBondContact O-N 2.92Å; L75-Q78 PolarHBondContact O-N 3.27Å; Q78-S80 VanDerWaalsContact C-N 3.29Å; Q78-S80 PolarHBondContact O-N 3.07Å; Q78-S81 PolarHBondContact O-N 2.85Å; Q78-S81 PolarHBondContact O-OG 2.9Å; Q78-F82 HydrophobicContact CB-CE1 4.32Å; Q78-F82 HydrophobicContact CB-CZ 4.3Å; Q78-F82 WeakPolarHBondContact O-CD1 3.15Å; Q78-F82 WeakPolarHBondContact O-CE1 3.45Å; Q78-F82 WeakPolarHBondContact O-CG 3.25Å; Q78-F82 PolarHBondContact O-N 2.67Å; Q78-I283 HydrophobicContact CB-CD1 4.18Å; Q78-I283 HydrophobicContact CB-CG2 4.13Å; Q78-I283 HydrophobicContact CG-CG2 3.97Å |
| 79 | F | 86.9 | Confident | 84.8 | Confident | 32 Ų | 32 | 41.5 Ų | 41.5 | 14% | 0.14 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60 | -33.6 | 176.7 | -92.2 | -89 | 0 | 0 | 0 | 113.9 | P7 Q8 Y10 W13 L75 Q76 Y77 F82 I281 I283 | P7-F79 HydrophobicContact CB-CE1 4.31Å; P7-F79 HydrophobicContact CB-CZ 4.23Å; P7-F79 HydrophobicContact CG-CE1 3.83Å; P7-F79 HydrophobicContact CG-CZ 4.02Å; Q8-F79 WeakPolarHBondContact O-CE1 3.41Å; Q8-F79 WeakPolarHBondContact O-CZ 3.27Å; Y10-F79 HydrophobicContact CD1-CB 4.09Å; Y10-F79 HydrophobicContact CD1-CD1 4.29Å; Y10-F79 AromaticContact CD1-CD2 3.95Å; Y10-F79 HydrophobicContact CD1-CD2 3.95Å; Y10-F79 HydrophobicContact CD1-CE2 4.47Å; Y10-F79 AromaticContact CD1-CG 3.84Å; Y10-F79 HydrophobicContact CD1-CG 3.84Å; Y10-F79 HydrophobicContact CE1-CB 4.27Å; W13-F79 HydrophobicContact CZ2-CE2 4.2Å; W13-F79 HydrophobicContact CZ2-CZ 4.22Å; L75-F79 HydrophobicContact CD1-CD2 3.92Å; L75-F79 HydrophobicContact CD1-CE2 3.78Å; L75-F79 HydrophobicContact CG-CD2 4.19Å; L75-F79 HydrophobicContact CG-CE2 4.4Å; L75-F79 PolarHBondContact O-N 2.85Å; Q76-F79 PolarHBondContact O-N 3.28Å; Y77-F79 PolarHBondContact O-N 3.26Å; F79-F82 HydrophobicContact CB-CE2 4.36Å; F79-F82 HydrophobicContact CD1-CD2 4.12Å; F79-F82 AromaticContact CD1-CE2 3.79Å; F79-F82 HydrophobicContact CD1-CE2 3.79Å; F79-F82 HydrophobicContact CD2-CE2 4.15Å; F79-F82 HydrophobicContact CE1-CE2 4.05Å; F79-F82 HydrophobicContact CE2-CE2 4.39Å; F79-F82 HydrophobicContact CG-CD2 4.36Å; F79-F82 AromaticContact CG-CE2 3.84Å; F79-F82 HydrophobicContact CG-CE2 3.84Å; F79-F82 HydrophobicContact CZ-CE2 4.36Å; F79-I281 HydrophobicContact CZ-CD1 4.46Å; F79-I283 HydrophobicContact CD2-CD1 4.1Å; F79-I283 HydrophobicContact CE2-CD1 3.81Å |
| 80 | S | 80.3 | Confident | 84.8 | Confident | 74 Ų | 74 | 40.3 Ų | 40.3 | 52% | 0.517 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -72.4 | -28.8 | 174.4 | 75.1 | 0 | 0 | 0 | 0 | 113.7 | Q76 Y77 Q78 N84 | Q76-S80 PolarHBondContact O-N 3.17Å; Y77-S80 PolarHBondContact O-N 3.42Å; Y77-S80 VanDerWaalsContact O-N 3.13Å; Y77-S80 PolarHBondContact O-OG 2.81Å; Q78-S80 VanDerWaalsContact C-N 3.29Å; Q78-S80 PolarHBondContact O-N 3.07Å; S80-N84 PolarHBondContact O-ND2 2.78Å |
| 81 | S | 78.7 | Confident | 85 | Confident | 6 Ų | 6 | 37.1 Ų | 37.1 | 4% | 0.042 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -81.4 | -17.9 | -174.9 | 73.1 | 0 | 0 | 0 | 0 | 114.6 | Y77 Q78 D83 N84 E85 R306 | Y77-S81 PolarHBondContact O-N 2.89Å; Q78-S81 PolarHBondContact O-N 2.85Å; Q78-S81 PolarHBondContact O-OG 2.9Å; S81-D83 PolarHBondContact O-N 3.3Å; S81-N84 PolarHBondContact O-N 2.94Å; S81-E85 WeakPolarHBondContact O-CB 3.33Å; S81-E85 PolarHBondContact O-N 3.28Å; S81-R306 PolarHBondContact OG-NH1 3.41Å |
| 82 | F | 76.1 | Confident | 84.8 | Confident | 6 Ų | 6 | 40.7 Ų | 40.7 | 3% | 0.026 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | 124.7 | -177.1 | -64.3 | -24 | 0 | 0 | 0 | 112.5 | P7 Q78 F79 N84 I226 I275 I283 | P7-F82 HydrophobicContact CG-CD2 4.05Å; P7-F82 HydrophobicContact CG-CE2 3.53Å; P7-F82 HydrophobicContact CG-CZ 4.32Å; Q78-F82 HydrophobicContact CB-CE1 4.32Å; Q78-F82 HydrophobicContact CB-CZ 4.3Å; Q78-F82 WeakPolarHBondContact O-CD1 3.15Å; Q78-F82 WeakPolarHBondContact O-CE1 3.45Å; Q78-F82 WeakPolarHBondContact O-CG 3.25Å; Q78-F82 PolarHBondContact O-N 2.67Å; F79-F82 HydrophobicContact CB-CE2 4.36Å; F79-F82 HydrophobicContact CD1-CD2 4.12Å; F79-F82 AromaticContact CD1-CE2 3.79Å; F79-F82 HydrophobicContact CD1-CE2 3.79Å; F79-F82 HydrophobicContact CD2-CE2 4.15Å; F79-F82 HydrophobicContact CE1-CE2 4.05Å; F79-F82 HydrophobicContact CE2-CE2 4.39Å; F79-F82 HydrophobicContact CG-CD2 4.36Å; F79-F82 AromaticContact CG-CE2 3.84Å; F79-F82 HydrophobicContact CG-CE2 3.84Å; F79-F82 HydrophobicContact CZ-CE2 4.36Å; F82-N84 PolarHBondContact O-N 3.33Å; F82-N84 PolarHBondContact O-ND2 3.08Å; F82-I226 HydrophobicContact CB-CD1 3.8Å; F82-I226 HydrophobicContact CD1-CD1 3.76Å; F82-I226 HydrophobicContact CD2-CD1 3.95Å; F82-I226 HydrophobicContact CE1-CD1 4.3Å; F82-I226 HydrophobicContact CE2-CD1 4.47Å; F82-I226 HydrophobicContact CG-CD1 3.57Å; F82-I275 HydrophobicContact CE1-CD1 4.09Å; F82-I275 HydrophobicContact CZ-CD1 4.23Å; F82-I275 HydrophobicContact CZ-CG2 3.88Å; F82-I283 HydrophobicContact CZ-CD1 4.06Å |
| 83 | D | 66.7 | Low | 84.7 | Confident | 65 Ų | 65 | 44.2 Ų | 44.2 | 35% | 0.348 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.5 | -12.9 | -172.7 | -53.4 | 22.8 | 0 | 0 | 0 | 116.7 | K6 S81 P223 | K6-D83 WeakPolarHBondContact CE-OD1 3.46Å; K6-D83 WeakPolarHBondContact CE-OD2 3.46Å; K6-D83 IonicContact NZ-OD1 3.97Å; K6-D83 PolarHBondContact NZ-OD1 2.81Å; K6-D83 IonicContact NZ-OD2 3.73Å; K6-D83 PolarHBondContact NZ-OD2 3.3Å; S81-D83 PolarHBondContact O-N 3.3Å; D83-P223 WeakPolarHBondContact O-CB 3.03Å |
| 84 | N | 72.7 | Confident | 84.9 | Confident | 117 Ų | 117 | 37.6 Ų | 37.6 | 63% | 0.626 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.7 | -31 | -174 | -59.2 | -40.3 | 0 | 0 | 0 | 112.8 | S80 S81 F82 T86 | S80-N84 PolarHBondContact O-ND2 2.78Å; S81-N84 PolarHBondContact O-N 2.94Å; F82-N84 PolarHBondContact O-N 3.33Å; F82-N84 PolarHBondContact O-ND2 3.08Å; N84-T86 PolarHBondContact O-N 3Å |
| 85 | E | 78.7 | Confident | 85.2 | Confident | 8 Ų | 8 | 37 Ų | 37 | 4% | 0.037 | 19% | 0.189 | C | C | . | . | trans | -80.6 | 121.1 | -177 | -170.1 | 177.5 | -135.3 | 0 | 0 | 110.8 | Y77 S81 V90 R93 N148 W152 R306 | Y77-E85 PolarHBondContact OH-OE1 2.97Å; S81-E85 WeakPolarHBondContact O-CB 3.33Å; S81-E85 PolarHBondContact O-N 3.28Å; E85-V90 HydrophobicContact CG-CG2 3.9Å; E85-R93 IonicContact OE1-CZ 2.64Å; E85-R93 IonicContact OE1-NH1 2.78Å; E85-R93 IonicContact OE1-NH2 3.31Å; E85-R93 PolarHBondContact OE1-NH2 3.2Å; E85-N148 PolarHBondContact OE1-ND2 3.44Å; E85-W152 HydrophobicContact CB-CZ2 4.26Å; E85-W152 HydrophobicContact CG-CZ2 3.79Å; E85-W152 WeakPolarHBondContact O-CH2 3.3Å; E85-W152 WeakPolarHBondContact O-CZ2 3.45Å; E85-R306 IonicContact OE2-CZ 3.14Å; E85-R306 IonicContact OE2-NH1 2.86Å; E85-R306 IonicContact OE2-NH2 3.55Å; E85-R306 PolarHBondContact OE2-NH2 2.82Å | ||
| 86 | T | 84 | Confident | 85.1 | Confident | 20 Ų | 20 | 45.7 Ų | 45.7 | 12% | 0.123 | 22% | 0.222 | C | C | . | . | trans | -116.3 | 158.4 | 172.8 | 68.3 | 0 | 0 | 0 | 0 | 109.8 | N84 Q88 S89 V90 L220 L221 P223 | N84-T86 PolarHBondContact O-N 3Å; T86-Q88 PolarHBondContact O-N 2.92Å; T86-S89 PolarHBondContact N-OG 2.95Å; T86-S89 WeakPolarHBondContact O-CA 3.28Å; T86-S89 WeakPolarHBondContact O-CB 3.24Å; T86-S89 PolarHBondContact O-N 2.98Å; T86-S89 PolarHBondContact O-OG 3.49Å; T86-S89 PolarHBondContact OG1-N 3.44Å; T86-S89 VanDerWaalsContact OG1-N 3.1Å; T86-V90 WeakPolarHBondContact O-CG2 3.29Å; T86-V90 PolarHBondContact O-N 2.92Å; T86-V90 VanDerWaalsContact O-N 3.14Å; T86-L220 WeakPolarHBondContact CB-O 3.38Å; T86-L221 WeakPolarHBondContact CG2-O 3.35Å; T86-P223 HydrophobicContact CG2-CB 4.18Å | ||
| 87 | L | 86.1 | Confident | 85.2 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.7 | -35.6 | 177.2 | -174.4 | 48.6 | 0 | 0 | 0 | 111.5 | S89 V90 L91 W152 L153 F158 L220 | L87-S89 VanDerWaalsContact C-N 3.33Å; L87-S89 PolarHBondContact O-N 3.24Å; L87-V90 HydrophobicContact CD1-CB 4.4Å; L87-V90 PolarHBondContact O-N 2.89Å; L87-V90 VanDerWaalsContact O-N 3.13Å; L87-L91 HydrophobicContact CD1-CD1 4.38Å; L87-L91 HydrophobicContact CD1-CG 4.1Å; L87-L91 HydrophobicContact CG-CD1 4.12Å; L87-L91 HydrophobicContact CG-CG 4.33Å; L87-L91 WeakPolarHBondContact O-CG 3.46Å; L87-L91 PolarHBondContact O-N 3.29Å; L87-W152 HydrophobicContact CB-CD2 4.4Å; L87-W152 HydrophobicContact CB-CE3 3.65Å; L87-W152 HydrophobicContact CB-CZ3 3.97Å; L87-W152 HydrophobicContact CD1-CB 3.82Å; L87-W152 HydrophobicContact CD1-CD2 4.41Å; L87-W152 HydrophobicContact CD1-CE3 4.39Å; L87-W152 HydrophobicContact CD1-CG 4.21Å; L87-W152 HydrophobicContact CG-CE3 4.44Å; L87-W152 VanDerWaalsContact N-CZ3 3.33Å; L87-L153 HydrophobicContact CD2-CD2 3.85Å; L87-L153 HydrophobicContact CD2-CG 4.47Å; L87-F158 HydrophobicContact CB-CZ 4.31Å; L87-F158 HydrophobicContact CD2-CD1 3.85Å; L87-F158 HydrophobicContact CD2-CD2 4.14Å; L87-F158 HydrophobicContact CD2-CE1 3.64Å; L87-F158 HydrophobicContact CD2-CE2 3.94Å; L87-F158 HydrophobicContact CD2-CG 4.11Å; L87-F158 HydrophobicContact CD2-CZ 3.68Å; L87-L220 HydrophobicContact CB-CD2 4.06Å; L87-L220 HydrophobicContact CD2-CD2 3.6Å; L87-L220 HydrophobicContact CG-CD2 3.89Å; L87-L220 PolarHBondContact N-O 2.83Å |
| 88 | Q | 87.2 | Confident | 85.7 | Confident | 72 Ų | 72 | 39 Ų | 39 | 34% | 0.336 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -55.4 | -46.3 | 170.7 | -165.9 | -160.4 | 39.7 | 0 | 0 | 111.8 | T86 V90 L91 L92 L212 L220 L221 | T86-Q88 PolarHBondContact O-N 2.92Å; Q88-V90 VanDerWaalsContact C-N 3.26Å; Q88-V90 PolarHBondContact O-N 3.14Å; Q88-L91 PolarHBondContact O-N 2.89Å; Q88-L92 HydrophobicContact CG-CD1 4.04Å; Q88-L92 WeakPolarHBondContact O-CB 3.32Å; Q88-L92 WeakPolarHBondContact O-CG 3.49Å; Q88-L92 PolarHBondContact O-N 2.87Å; Q88-L212 HydrophobicContact CB-CD2 4.3Å; Q88-L212 HydrophobicContact CG-CD2 3.5Å; Q88-L220 HydrophobicContact CB-CB 4.47Å; Q88-L220 WeakPolarHBondContact CB-O 3.49Å; Q88-L220 PolarHBondContact N-O 2.86Å; Q88-L221 HydrophobicContact CB-CD2 4.11Å; Q88-L221 HydrophobicContact CG-CD2 4.17Å; Q88-L221 VanDerWaalsContact OE1-CD2 3.31Å |
| 89 | S | 86.7 | Confident | 86.1 | Confident | 33 Ų | 33 | 40.9 Ų | 40.9 | 23% | 0.231 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65.5 | -25.7 | 178.1 | 80.8 | 0 | 0 | 0 | 0 | 113.8 | T86 L87 R93 | T86-S89 PolarHBondContact N-OG 2.95Å; T86-S89 WeakPolarHBondContact O-CA 3.28Å; T86-S89 WeakPolarHBondContact O-CB 3.24Å; T86-S89 PolarHBondContact O-N 2.98Å; T86-S89 PolarHBondContact O-OG 3.49Å; T86-S89 PolarHBondContact OG1-N 3.44Å; T86-S89 VanDerWaalsContact OG1-N 3.1Å; L87-S89 VanDerWaalsContact C-N 3.33Å; L87-S89 PolarHBondContact O-N 3.24Å; S89-R93 WeakPolarHBondContact O-CG 3.23Å; S89-R93 PolarHBondContact O-NE 2.92Å |
| 90 | V | 88.9 | Confident | 86.4 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -78.2 | -47 | 174.3 | -172.6 | 0 | 0 | 0 | 0 | 109.8 | E85 T86 L87 Q88 L92 R93 V94 N148 A149 | E85-V90 HydrophobicContact CG-CG2 3.9Å; T86-V90 WeakPolarHBondContact O-CG2 3.29Å; T86-V90 PolarHBondContact O-N 2.92Å; T86-V90 VanDerWaalsContact O-N 3.14Å; L87-V90 HydrophobicContact CD1-CB 4.4Å; L87-V90 PolarHBondContact O-N 2.89Å; L87-V90 VanDerWaalsContact O-N 3.13Å; Q88-V90 VanDerWaalsContact C-N 3.26Å; Q88-V90 PolarHBondContact O-N 3.14Å; V90-L92 PolarHBondContact O-N 3.31Å; V90-R93 WeakPolarHBondContact O-CB 3.29Å; V90-R93 PolarHBondContact O-N 3.38Å; V90-R93 VanDerWaalsContact O-N 3.09Å; V90-V94 PolarHBondContact O-N 2.85Å; V90-V94 VanDerWaalsContact O-N 3.13Å; V90-N148 HydrophobicContact CG1-CB 4.09Å; V90-A149 HydrophobicContact CG1-CB 3.8Å |
| 91 | L | 92.1 | Very high | 87.1 | Confident | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -65.4 | -37.3 | 179.7 | -68.6 | 177.7 | 0 | 0 | 0 | 112.7 | L87 Q88 R93 V94 S95 A149 F167 L171 V208 V211 L212 | L87-L91 HydrophobicContact CD1-CD1 4.38Å; L87-L91 HydrophobicContact CD1-CG 4.1Å; L87-L91 HydrophobicContact CG-CD1 4.12Å; L87-L91 HydrophobicContact CG-CG 4.33Å; L87-L91 WeakPolarHBondContact O-CG 3.46Å; L87-L91 PolarHBondContact O-N 3.29Å; Q88-L91 PolarHBondContact O-N 2.89Å; L91-R93 VanDerWaalsContact C-N 3.26Å; L91-R93 PolarHBondContact O-N 3.13Å; L91-V94 WeakPolarHBondContact O-CA 3.45Å; L91-V94 WeakPolarHBondContact O-CB 3.34Å; L91-V94 PolarHBondContact O-N 2.58Å; L91-S95 PolarHBondContact O-N 2.96Å; L91-A149 HydrophobicContact CD2-CB 4.25Å; L91-F167 HydrophobicContact CD1-CE1 4Å; L91-F167 HydrophobicContact CD1-CZ 4.47Å; L91-F167 HydrophobicContact CD2-CE1 3.76Å; L91-F167 HydrophobicContact CD2-CZ 3.96Å; L91-L171 HydrophobicContact CD2-CD1 4.2Å; L91-V208 HydrophobicContact CB-CG1 4.12Å; L91-V208 WeakPolarHBondContact O-CG1 3.46Å; L91-V211 HydrophobicContact CD1-CG1 4.21Å; L91-L212 HydrophobicContact CB-CD1 4.21Å; L91-L212 HydrophobicContact CB-CD2 3.94Å; L91-L212 HydrophobicContact CB-CG 4.13Å |
| 92 | L | 88.1 | Confident | 87.8 | Confident | 88 Ų | 88 | 37.8 Ų | 37.8 | 46% | 0.461 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -60.7 | -34.2 | 171.4 | -76 | 165.9 | 0 | 0 | 0 | 112.5 | Q88 V90 R96 L212 | Q88-L92 HydrophobicContact CG-CD1 4.04Å; Q88-L92 WeakPolarHBondContact O-CB 3.32Å; Q88-L92 WeakPolarHBondContact O-CG 3.49Å; Q88-L92 PolarHBondContact O-N 2.87Å; V90-L92 PolarHBondContact O-N 3.31Å; L92-R96 WeakPolarHBondContact O-CB 3.38Å; L92-R96 PolarHBondContact O-N 3.13Å; L92-L212 HydrophobicContact CD2-CD1 3.83Å; L92-L212 HydrophobicContact CG-CD1 4.03Å; L92-L212 HydrophobicContact CG-CD2 4.16Å |
| 93 | R | 91.6 | Very high | 88.7 | Confident | 77 Ų | 77 | 41.4 Ų | 41.4 | 29% | 0.291 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -70.9 | -30 | 172.6 | -74.6 | 178.7 | -76 | 160.5 | -8.7 | 112.6 | Y77 E85 S89 V90 L91 S97 T145 | Y77-R93 PolarHBondContact OH-NH1 3.28Å; Y77-R93 PolarHBondContact OH-NH2 2.9Å; E85-R93 IonicContact OE1-CZ 2.64Å; E85-R93 IonicContact OE1-NH1 2.78Å; E85-R93 IonicContact OE1-NH2 3.31Å; E85-R93 PolarHBondContact OE1-NH2 3.2Å; S89-R93 WeakPolarHBondContact O-CG 3.23Å; S89-R93 PolarHBondContact O-NE 2.92Å; V90-R93 WeakPolarHBondContact O-CB 3.29Å; V90-R93 PolarHBondContact O-N 3.38Å; V90-R93 VanDerWaalsContact O-N 3.09Å; L91-R93 VanDerWaalsContact C-N 3.26Å; L91-R93 PolarHBondContact O-N 3.13Å; R93-S97 WeakPolarHBondContact O-CB 3.44Å; R93-S97 PolarHBondContact O-N 3.4Å; R93-S97 PolarHBondContact O-OG 3.49Å; R93-T145 HydrophobicContact CB-CG2 4.01Å |
| 94 | V | 94.7 | Very high | 89.9 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -68.7 | -53 | 171.9 | 179 | 0 | 0 | 0 | 0 | 110.5 | V90 L91 R96 S97 C98 L142 I146 A149 M204 V208 | V90-V94 PolarHBondContact O-N 2.85Å; V90-V94 VanDerWaalsContact O-N 3.13Å; L91-V94 WeakPolarHBondContact O-CA 3.45Å; L91-V94 WeakPolarHBondContact O-CB 3.34Å; L91-V94 PolarHBondContact O-N 2.58Å; V94-R96 PolarHBondContact O-N 3.33Å; V94-S97 WeakPolarHBondContact O-CB 3.3Å; V94-S97 PolarHBondContact O-N 3.24Å; V94-C98 PolarHBondContact O-N 3.36Å; V94-C98 PolarHBondContact O-SG 2.78Å; V94-C98 VanDerWaalsContact O-SG 3.4Å; V94-L142 HydrophobicContact CG1-CD1 3.99Å; V94-I146 HydrophobicContact CG1-CD1 4.28Å; V94-I146 HydrophobicContact CG1-CG1 3.83Å; V94-I146 HydrophobicContact CG2-CG1 4.01Å; V94-A149 HydrophobicContact CG2-CB 4.35Å; V94-M204 HydrophobicContact CG1-SD 4.2Å; V94-V208 HydrophobicContact CG1-CG2 4.01Å |
| 95 | S | 94.3 | Very high | 90.9 | Very high | 13 Ų | 13 | 32.9 Ų | 32.9 | 9% | 0.091 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -55.5 | -47.8 | 176.2 | 148.2 | 0 | 0 | 0 | 0 | 111.7 | L91 S97 C98 T99 E209 | L91-S95 PolarHBondContact O-N 2.96Å; S95-S97 VanDerWaalsContact C-N 3.3Å; S95-S97 PolarHBondContact O-N 3.22Å; S95-C98 WeakPolarHBondContact O-CB 3.14Å; S95-C98 PolarHBondContact O-N 3.27Å; S95-T99 PolarHBondContact O-N 2.95Å; S95-T99 PolarHBondContact O-OG1 2.95Å; S95-E209 PolarHBondContact OG-OE1 2.86Å |
| 96 | R | 90.4 | Very high | 91.6 | Very high | 183 Ų | 183 | 36.7 Ų | 36.7 | 69% | 0.691 | 19% | 0.186 | S | C | * | . | H | α-helix | trans | -56.6 | -42.8 | 174.8 | -179.3 | 179 | 169.9 | 99.9 | 0.8 | 112 | L92 V94 T99 C100 | L92-R96 WeakPolarHBondContact O-CB 3.38Å; L92-R96 PolarHBondContact O-N 3.13Å; V94-R96 PolarHBondContact O-N 3.33Å; R96-T99 PolarHBondContact O-N 2.65Å; R96-C100 PolarHBondContact O-N 3.16Å; R96-C100 PolarHBondContact O-SG 3.16Å |
| 97 | S | 94.3 | Very high | 92 | Very high | 6 Ų | 6 | 38.4 Ų | 38.4 | 4% | 0.042 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64.9 | -41.8 | 178.9 | -60.7 | 0 | 0 | 0 | 0 | 111.9 | R93 V94 S95 C100 I101 N141 | R93-S97 WeakPolarHBondContact O-CB 3.44Å; R93-S97 PolarHBondContact O-N 3.4Å; R93-S97 PolarHBondContact O-OG 3.49Å; V94-S97 WeakPolarHBondContact O-CB 3.3Å; V94-S97 PolarHBondContact O-N 3.24Å; S95-S97 VanDerWaalsContact C-N 3.3Å; S95-S97 PolarHBondContact O-N 3.22Å; S97-C100 PolarHBondContact O-N 2.98Å; S97-I101 WeakPolarHBondContact O-CG1 3.26Å; S97-I101 PolarHBondContact O-N 3.32Å; S97-N141 PolarHBondContact OG-ND2 2.95Å |
| 98 | C | 95.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -57.7 | -48.8 | 172.1 | -65.3 | 0 | 0 | 0 | 0 | 111.6 | V94 S95 C100 I101 I102 I201 R205 | V94-C98 PolarHBondContact O-N 3.36Å; V94-C98 PolarHBondContact O-SG 2.78Å; V94-C98 VanDerWaalsContact O-SG 3.4Å; S95-C98 WeakPolarHBondContact O-CB 3.14Å; S95-C98 PolarHBondContact O-N 3.27Å; C98-C100 VanDerWaalsContact C-N 3.33Å; C98-C100 PolarHBondContact O-N 2.92Å; C98-I101 WeakPolarHBondContact O-CB 3.36Å; C98-I101 PolarHBondContact O-N 3.29Å; C98-I101 VanDerWaalsContact O-N 3.1Å; C98-I102 WeakPolarHBondContact O-CD1 3.49Å; C98-I102 WeakPolarHBondContact O-CG1 3.39Å; C98-I102 PolarHBondContact O-N 3.35Å; C98-I201 HydrophobicContact CB-CG2 3.57Å; C98-R205 HydrophobicContact CB-CB 3.75Å; C98-R205 HydrophobicContact CB-CG 3.84Å |
| 99 | T | 93.8 | Very high | 92.4 | Very high | 57 Ų | 57 | 35.6 Ų | 35.6 | 35% | 0.35 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -61.7 | -38.6 | 178 | -59.5 | 0 | 0 | 0 | 0 | 112.5 | S95 R96 I101 T103 R205 | S95-T99 PolarHBondContact O-N 2.95Å; S95-T99 PolarHBondContact O-OG1 2.95Å; R96-T99 PolarHBondContact O-N 2.65Å; T99-I101 VanDerWaalsContact C-N 3.34Å; T99-T103 WeakPolarHBondContact O-CB 3.31Å; T99-T103 WeakPolarHBondContact O-CG2 3.39Å; T99-T103 PolarHBondContact O-N 3.32Å; T99-T103 PolarHBondContact O-OG1 2.83Å; T99-R205 WeakPolarHBondContact OG1-CD 3.5Å |
| 100 | C | 93.5 | Very high | 92.6 | Very high | 30 Ų | 30 | 36.5 Ų | 36.5 | 20% | 0.203 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.9 | -38.1 | 173.5 | -69.6 | 0 | 0 | 0 | 0 | 112.2 | R96 S97 C98 T103 A104 | R96-C100 PolarHBondContact O-N 3.16Å; R96-C100 PolarHBondContact O-SG 3.16Å; S97-C100 PolarHBondContact O-N 2.98Å; C98-C100 VanDerWaalsContact C-N 3.33Å; C98-C100 PolarHBondContact O-N 2.92Å; C100-T103 WeakPolarHBondContact CA-OG1 3.34Å; C100-T103 PolarHBondContact O-OG1 2.88Å; C100-A104 WeakPolarHBondContact O-CB 3.4Å; C100-A104 PolarHBondContact O-N 3.43Å |
| 101 | I | 94 | Very high | 92.5 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -67.6 | -49.2 | 176.4 | -69.6 | 162.6 | 0 | 0 | 0 | 110.7 | S97 C98 T99 T103 A104 I105 C138 I139 L142 I197 I201 | S97-I101 WeakPolarHBondContact O-CG1 3.26Å; S97-I101 PolarHBondContact O-N 3.32Å; C98-I101 WeakPolarHBondContact O-CB 3.36Å; C98-I101 PolarHBondContact O-N 3.29Å; C98-I101 VanDerWaalsContact O-N 3.1Å; T99-I101 VanDerWaalsContact C-N 3.34Å; I101-T103 PolarHBondContact O-N 2.93Å; I101-A104 PolarHBondContact O-N 2.9Å; I101-I105 HydrophobicContact CG2-CD1 3.46Å; I101-I105 VanDerWaalsContact CG2-CD1 3.46Å; I101-I105 HydrophobicContact CG2-CG1 4.28Å; I101-I105 WeakPolarHBondContact O-CD1 3.28Å; I101-I105 VanDerWaalsContact O-CG1 3.25Å; I101-I105 WeakPolarHBondContact O-CG1 3.19Å; I101-I105 PolarHBondContact O-N 2.77Å; I101-C138 HydrophobicContact CG1-CB 3.61Å; I101-I139 HydrophobicContact CD1-CG1 3.86Å; I101-I139 HydrophobicContact CG1-CG1 4.09Å; I101-I139 HydrophobicContact CG2-CG1 4.43Å; I101-L142 HydrophobicContact CD1-CB 3.72Å; I101-L142 HydrophobicContact CD1-CD2 3.65Å; I101-L142 HydrophobicContact CD1-CG 4.19Å; I101-I197 HydrophobicContact CG2-CG2 4.26Å; I101-I201 HydrophobicContact CG2-CG1 4.32Å; I101-I201 HydrophobicContact CG2-CG2 4.44Å |
| 102 | I | 95 | Very high | 92.3 | Very high | 17 Ų | 17 | 38.7 Ų | 38.7 | 9% | 0.087 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.6 | -45.3 | 179.8 | -64.7 | 153.8 | 0 | 0 | 0 | 111 | C98 N106 I201 E202 | C98-I102 WeakPolarHBondContact O-CD1 3.49Å; C98-I102 WeakPolarHBondContact O-CG1 3.39Å; C98-I102 PolarHBondContact O-N 3.35Å; I102-N106 WeakPolarHBondContact O-CB 3.44Å; I102-N106 PolarHBondContact O-N 3.34Å; I102-N106 PolarHBondContact O-ND2 3.05Å; I102-N106 VanDerWaalsContact O-ND2 3.15Å; I102-I201 HydrophobicContact CD1-CG2 3.84Å; I102-I201 HydrophobicContact CG1-CG2 3.74Å; I102-E202 WeakPolarHBondContact CD1-OE2 3.03Å |
| 103 | T | 93.4 | Very high | 92.2 | Very high | 83 Ų | 83 | 41.7 Ų | 41.7 | 51% | 0.509 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -67.5 | -38.9 | 178.9 | 48.7 | 0 | 0 | 0 | 0 | 112.5 | T99 C100 I101 N106 S107 | T99-T103 WeakPolarHBondContact O-CB 3.31Å; T99-T103 WeakPolarHBondContact O-CG2 3.39Å; T99-T103 PolarHBondContact O-N 3.32Å; T99-T103 PolarHBondContact O-OG1 2.83Å; C100-T103 WeakPolarHBondContact CA-OG1 3.34Å; C100-T103 PolarHBondContact O-OG1 2.88Å; I101-T103 PolarHBondContact O-N 2.93Å; T103-N106 PolarHBondContact O-N 3.28Å; T103-S107 PolarHBondContact O-N 3.1Å |
| 104 | A | 93.2 | Very high | 91.8 | Very high | 3 Ų | 3 | 45.3 Ų | 45.3 | 3% | 0.025 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -68.4 | -39.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | C100 I101 S107 L108 Y134 I135 | C100-A104 WeakPolarHBondContact O-CB 3.4Å; C100-A104 PolarHBondContact O-N 3.43Å; I101-A104 PolarHBondContact O-N 2.9Å; A104-S107 PolarHBondContact O-N 3.46Å; A104-S107 PolarHBondContact O-OG 3.05Å; A104-L108 PolarHBondContact O-N 3.37Å; A104-Y134 HydrophobicContact CB-CD1 3.77Å; A104-Y134 HydrophobicContact CB-CE1 3.89Å; A104-I135 HydrophobicContact CB-CG1 3.57Å |
| 105 | I | 93.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.5 | -46.8 | 173.8 | -64.1 | 160 | 0 | 0 | 0 | 109.5 | I101 S107 L108 M109 I135 F194 I197 I198 | I101-I105 HydrophobicContact CG2-CD1 3.46Å; I101-I105 VanDerWaalsContact CG2-CD1 3.46Å; I101-I105 HydrophobicContact CG2-CG1 4.28Å; I101-I105 WeakPolarHBondContact O-CD1 3.28Å; I101-I105 VanDerWaalsContact O-CG1 3.25Å; I101-I105 WeakPolarHBondContact O-CG1 3.19Å; I101-I105 PolarHBondContact O-N 2.77Å; I105-S107 VanDerWaalsContact C-N 3.27Å; I105-S107 PolarHBondContact O-N 3.29Å; I105-L108 PolarHBondContact O-N 3.17Å; I105-L108 VanDerWaalsContact O-N 3.12Å; I105-M109 HydrophobicContact CG2-CG 4.17Å; I105-M109 VanDerWaalsContact O-CG 3.27Å; I105-M109 WeakPolarHBondContact O-CG 3.37Å; I105-M109 PolarHBondContact O-N 2.71Å; I105-I135 HydrophobicContact CB-CD1 4.49Å; I105-I135 HydrophobicContact CG1-CD1 4.01Å; I105-I135 HydrophobicContact CG1-CG1 4.25Å; I105-I135 HydrophobicContact CG1-CG2 4.13Å; I105-F194 WeakPolarHBondContact CD1-O 3.48Å; I105-F194 HydrophobicContact CG1-CB 4.39Å; I105-F194 HydrophobicContact CG2-CB 4.33Å; I105-I197 HydrophobicContact CD1-CB 4.04Å; I105-I197 HydrophobicContact CD1-CG2 4.17Å; I105-I198 HydrophobicContact CB-CD1 4.18Å; I105-I198 HydrophobicContact CB-CG1 4.36Å; I105-I198 HydrophobicContact CD1-CG1 3.91Å; I105-I198 HydrophobicContact CG2-CD1 3.74Å; I105-I198 HydrophobicContact CG2-CG1 4.09Å |
| 106 | N | 93.8 | Very high | 90.2 | Very high | 87 Ų | 87 | 55 Ų | 55 | 47% | 0.465 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -60.7 | -34.4 | 178.5 | -77.1 | -34 | 0 | 0 | 0 | 112.9 | I102 T103 A110 | I102-N106 WeakPolarHBondContact O-CB 3.44Å; I102-N106 PolarHBondContact O-N 3.34Å; I102-N106 PolarHBondContact O-ND2 3.05Å; I102-N106 VanDerWaalsContact O-ND2 3.15Å; T103-N106 PolarHBondContact O-N 3.28Å; N106-A110 WeakPolarHBondContact O-CB 3.48Å; N106-A110 PolarHBondContact O-N 2.82Å |
| 107 | S | 90.6 | Very high | 89.6 | Confident | 56 Ų | 56 | 48.5 Ų | 48.5 | 39% | 0.392 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -70.1 | -42 | 172.7 | 70 | 0 | 0 | 0 | 0 | 112.4 | T103 A104 I105 M109 A110 I111 | T103-S107 PolarHBondContact O-N 3.1Å; A104-S107 PolarHBondContact O-N 3.46Å; A104-S107 PolarHBondContact O-OG 3.05Å; I105-S107 VanDerWaalsContact C-N 3.27Å; I105-S107 PolarHBondContact O-N 3.29Å; S107-M109 VanDerWaalsContact C-N 3.33Å; S107-M109 PolarHBondContact O-N 3.18Å; S107-A110 PolarHBondContact O-N 2.76Å; S107-A110 VanDerWaalsContact O-N 3.13Å; S107-I111 WeakPolarHBondContact O-CG1 3.45Å; S107-I111 PolarHBondContact O-N 2.86Å |
| 108 | L | 91.8 | Very high | 88.7 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -58.6 | -42.9 | 172.6 | 175.7 | 62.7 | 0 | 0 | 0 | 111.9 | A104 I105 A110 I111 T112 I128 A131 A132 I135 N191 F194 | A104-L108 PolarHBondContact O-N 3.37Å; I105-L108 PolarHBondContact O-N 3.17Å; I105-L108 VanDerWaalsContact O-N 3.12Å; L108-A110 VanDerWaalsContact C-N 3.31Å; L108-A110 PolarHBondContact O-N 3.14Å; L108-I111 PolarHBondContact O-N 3.17Å; L108-T112 WeakPolarHBondContact O-CB 3.41Å; L108-T112 PolarHBondContact O-N 2.91Å; L108-T112 PolarHBondContact O-OG1 2.9Å; L108-I128 HydrophobicContact CD1-CB 4.39Å; L108-I128 HydrophobicContact CD1-CG1 4.38Å; L108-I128 HydrophobicContact CD1-CG2 4.07Å; L108-A131 HydrophobicContact CB-CB 4.19Å; L108-A131 HydrophobicContact CD1-CB 4.12Å; L108-A132 HydrophobicContact CD2-CB 4.49Å; L108-I135 HydrophobicContact CB-CD1 3.82Å; L108-I135 HydrophobicContact CD2-CD1 3.54Å; L108-I135 HydrophobicContact CG-CD1 4.32Å; L108-N191 HydrophobicContact CD2-CB 4.18Å; L108-N191 HydrophobicContact CG-CB 4.46Å; L108-F194 HydrophobicContact CD2-CB 4.36Å; L108-F194 HydrophobicContact CD2-CD2 3.61Å; L108-F194 HydrophobicContact CD2-CE2 4.21Å; L108-F194 HydrophobicContact CD2-CG 4.21Å |
| 109 | M | 91.4 | Very high | 87.9 | Confident | 13 Ų | 13 | 61.8 Ų | 61.8 | 6% | 0.064 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -64.1 | -35.8 | 175.9 | -62.1 | -64.8 | 93.3 | 0 | 0 | 112 | I105 S107 K113 N191 E192 K195 | I105-M109 HydrophobicContact CG2-CG 4.17Å; I105-M109 VanDerWaalsContact O-CG 3.27Å; I105-M109 WeakPolarHBondContact O-CG 3.37Å; I105-M109 PolarHBondContact O-N 2.71Å; S107-M109 VanDerWaalsContact C-N 3.33Å; S107-M109 PolarHBondContact O-N 3.18Å; M109-K113 WeakPolarHBondContact O-CG 3.28Å; M109-K113 PolarHBondContact O-N 2.83Å; M109-N191 HydrophobicContact CE-CB 4.37Å; M109-N191 WeakPolarHBondContact CE-O 3.26Å; M109-E192 VanDerWaalsContact SD-OE1 3.33Å; M109-K195 HydrophobicContact SD-CB 3.95Å; M109-K195 HydrophobicContact SD-CD 3.96Å; M109-K195 HydrophobicContact SD-CG 4.15Å |
| 110 | A | 89.3 | Confident | 87.2 | Confident | 53 Ų | 53 | 62.2 Ų | 62.2 | 44% | 0.438 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -71.9 | -32.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | N106 S107 L108 | N106-A110 WeakPolarHBondContact O-CB 3.48Å; N106-A110 PolarHBondContact O-N 2.82Å; S107-A110 PolarHBondContact O-N 2.76Å; S107-A110 VanDerWaalsContact O-N 3.13Å; L108-A110 VanDerWaalsContact C-N 3.31Å; L108-A110 PolarHBondContact O-N 3.14Å |
| 111 | I | 88.5 | Confident | 86.9 | Confident | 29 Ų | 29 | 64.5 Ų | 64.5 | 15% | 0.149 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -74.6 | -45.7 | 173.6 | -60.5 | 160.8 | 0 | 0 | 0 | 110.2 | S107 L108 K113 R114 Q115 I124 D127 I128 A131 | S107-I111 WeakPolarHBondContact O-CG1 3.45Å; S107-I111 PolarHBondContact O-N 2.86Å; L108-I111 PolarHBondContact O-N 3.17Å; I111-K113 VanDerWaalsContact C-N 3.3Å; I111-K113 PolarHBondContact O-N 2.86Å; I111-R114 WeakPolarHBondContact O-CA 3.15Å; I111-R114 WeakPolarHBondContact O-CB 3.35Å; I111-R114 PolarHBondContact O-N 2.9Å; I111-Q115 PolarHBondContact O-N 2.81Å; I111-I124 HydrophobicContact CG2-CD1 4.39Å; I111-I124 HydrophobicContact CG2-CG1 3.82Å; I111-D127 HydrophobicContact CD1-CB 4.5Å; I111-D127 HydrophobicContact CG2-CB 4.41Å; I111-I128 HydrophobicContact CB-CG1 4.4Å; I111-I128 HydrophobicContact CG2-CD1 4.25Å; I111-I128 HydrophobicContact CG2-CG1 3.59Å; I111-A131 HydrophobicContact CD1-CB 4.33Å |
| 112 | T | 87.1 | Confident | 86.4 | Confident | 17 Ų | 17 | 70.8 Ų | 70.8 | 10% | 0.104 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -58 | -41.8 | -179.1 | -53.5 | 0 | 0 | 0 | 0 | 111.1 | L108 R114 Q115 | L108-T112 WeakPolarHBondContact O-CB 3.41Å; L108-T112 PolarHBondContact O-N 2.91Å; L108-T112 PolarHBondContact O-OG1 2.9Å; T112-R114 PolarHBondContact O-N 3.02Å; T112-Q115 WeakPolarHBondContact O-CB 3.5Å; T112-Q115 PolarHBondContact O-N 3.39Å |
| 113 | K | 86.6 | Confident | 86 | Confident | 152 Ų | 152 | 72 Ų | 72 | 66% | 0.661 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -13.8 | 173.4 | -74.9 | 175.9 | 178.7 | -177 | 0 | 115.7 | M109 I111 | M109-K113 WeakPolarHBondContact O-CG 3.28Å; M109-K113 PolarHBondContact O-N 2.83Å; I111-K113 VanDerWaalsContact C-N 3.3Å; I111-K113 PolarHBondContact O-N 2.86Å |
| 114 | R | 83.5 | Confident | 85.7 | Confident | 152 Ų | 152 | 68.7 Ų | 68.7 | 57% | 0.574 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | -8.1 | 173 | -62.6 | 175.3 | 179.6 | 179.5 | -0.9 | 112.7 | I111 T112 I124 | I111-R114 WeakPolarHBondContact O-CA 3.15Å; I111-R114 WeakPolarHBondContact O-CB 3.35Å; I111-R114 PolarHBondContact O-N 2.9Å; T112-R114 PolarHBondContact O-N 3.02Å; R114-I124 HydrophobicContact CB-CD1 3.95Å |
| 115 | Q | 80.3 | Confident | 85.3 | Confident | 78 Ų | 78 | 74 Ų | 74 | 36% | 0.364 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -34.8 | 172.9 | -170.7 | -178.8 | -22.2 | 0 | 0 | 111.1 | I111 T112 A117 I124 I128 | I111-Q115 PolarHBondContact O-N 2.81Å; T112-Q115 WeakPolarHBondContact O-CB 3.5Å; T112-Q115 PolarHBondContact O-N 3.39Å; Q115-A117 VanDerWaalsContact C-N 3.26Å; Q115-A117 PolarHBondContact O-N 3.3Å; Q115-I124 HydrophobicContact CB-CD1 4.03Å; Q115-I128 HydrophobicContact CB-CD1 4.45Å |
| 116 | D | 74.2 | Confident | 85 | Confident | 138 Ų | 138 | 78 Ų | 78 | 74% | 0.738 | 45% | 0.445 | S | S | * | . | S | Bend | trans | -85.2 | 11.1 | 179.1 | -52.9 | -40.3 | 0 | 0 | 0 | 113.6 | ||
| 117 | A | 78.7 | Confident | 84.8 | Confident | 47 Ų | 47 | 77.3 Ų | 77.3 | 39% | 0.388 | 44% | 0.441 | S | S | . | . | S | Bend | trans | -91.3 | 152.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q115 S119 P120 | Q115-A117 VanDerWaalsContact C-N 3.26Å; Q115-A117 PolarHBondContact O-N 3.3Å; A117-S119 PolarHBondContact O-N 2.85Å; A117-P120 WeakPolarHBondContact O-CD 3.31Å |
| 118 | D | 75.3 | Confident | 84.7 | Confident | 179 Ų | 179 | 75.3 Ų | 75.3 | 96% | 0.957 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -58.3 | -21.5 | -173 | -55.7 | -61.4 | 0 | 0 | 0 | 115 | ||
| 119 | S | 77.3 | Confident | 84.4 | Confident | 106 Ų | 106 | 81.1 Ų | 81.1 | 74% | 0.741 | 45% | 0.453 | S | S | * | . | S | Bend | trans | -135.9 | 95.7 | 165.9 | 52.9 | 0 | 0 | 0 | 0 | 111.5 | A117 | A117-S119 PolarHBondContact O-N 2.85Š|
| 120 | P | 80.7 | Confident | 84.1 | Confident | 67 Ų | 67 | 82.4 Ų | 82.4 | 44% | 0.435 | 47% | 0.47 | S | S | . | . | P | Polyproline II helix | trans | -71.1 | 142.2 | 172.1 | 29.9 | -33.1 | 0 | 0 | 0 | 110.1 | A117 I124 | A117-P120 WeakPolarHBondContact O-CD 3.31Å; P120-I124 HydrophobicContact CB-CD1 4.44Å; P120-I124 HydrophobicContact CB-CG2 4.26Å |
| 121 | Y | 86.4 | Confident | 84.1 | Confident | 77 Ų | 77 | 80.6 Ų | 80.6 | 30% | 0.302 | 45% | 0.454 | S | S | . | . | P | Polyproline II helix | trans | -77 | 147.9 | -175.3 | 67.6 | -88.1 | 0 | 0 | 0 | 112.5 | G123 I124 D127 | Y121-G123 PolarHBondContact O-N 3.41Å; Y121-I124 HydrophobicContact CD1-CB 4.16Å; Y121-I124 HydrophobicContact CD1-CD1 3.99Å; Y121-I124 HydrophobicContact CD1-CG1 4.26Å; Y121-I124 HydrophobicContact CD2-CB 4.34Å; Y121-I124 HydrophobicContact CE1-CB 3.82Å; Y121-I124 HydrophobicContact CE1-CD1 3.6Å; Y121-I124 HydrophobicContact CE1-CG1 3.6Å; Y121-I124 HydrophobicContact CE2-CB 4.02Å; Y121-I124 HydrophobicContact CG-CB 4.4Å; Y121-I124 WeakPolarHBondContact O-CB 3.39Å; Y121-I124 WeakPolarHBondContact O-CG2 3.01Å; Y121-I124 PolarHBondContact O-N 2.86Å; Y121-D127 VanDerWaalsContact CE2-OD2 3.22Å; Y121-D127 WeakPolarHBondContact CE2-OD2 3.47Å; Y121-D127 PolarHBondContact OH-OD2 3.09Å |
| 122 | P | 83.3 | Confident | 84 | Confident | 132 Ų | 132 | 79.6 Ų | 79.6 | 86% | 0.857 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | 126.8 | 177.1 | -24.6 | 34.5 | 0 | 0 | 0 | 111.8 | ||
| 123 | G | 87.1 | Confident | 83.9 | Confident | 44 Ų | 44 | 81.5 Ų | 81.5 | 45% | 0.454 | 47% | 0.465 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 99.5 | -9.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y121 L125 S126 D127 | Y121-G123 PolarHBondContact O-N 3.41Å; G123-L125 PolarHBondContact O-N 2.92Å; G123-S126 WeakPolarHBondContact O-CA 3.41Å; G123-S126 VanDerWaalsContact O-CB 3.24Å; G123-S126 WeakPolarHBondContact O-CB 3.38Å; G123-S126 PolarHBondContact O-N 2.97Å; G123-D127 PolarHBondContact O-N 3.43Å |
| 124 | I | 87.2 | Confident | 84 | Confident | 12 Ų | 12 | 80.6 Ų | 80.6 | 6% | 0.062 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -49.7 | -37.1 | -176 | -168.2 | 169 | 0 | 0 | 0 | 115.1 | I111 R114 Q115 P120 Y121 S126 D127 I128 | I111-I124 HydrophobicContact CG2-CD1 4.39Å; I111-I124 HydrophobicContact CG2-CG1 3.82Å; R114-I124 HydrophobicContact CB-CD1 3.95Å; Q115-I124 HydrophobicContact CB-CD1 4.03Å; P120-I124 HydrophobicContact CB-CD1 4.44Å; P120-I124 HydrophobicContact CB-CG2 4.26Å; Y121-I124 HydrophobicContact CD1-CB 4.16Å; Y121-I124 HydrophobicContact CD1-CD1 3.99Å; Y121-I124 HydrophobicContact CD1-CG1 4.26Å; Y121-I124 HydrophobicContact CD2-CB 4.34Å; Y121-I124 HydrophobicContact CE1-CB 3.82Å; Y121-I124 HydrophobicContact CE1-CD1 3.6Å; Y121-I124 HydrophobicContact CE1-CG1 3.6Å; Y121-I124 HydrophobicContact CE2-CB 4.02Å; Y121-I124 HydrophobicContact CG-CB 4.4Å; Y121-I124 WeakPolarHBondContact O-CB 3.39Å; Y121-I124 WeakPolarHBondContact O-CG2 3.01Å; Y121-I124 PolarHBondContact O-N 2.86Å; I124-S126 VanDerWaalsContact C-N 3.33Å; I124-S126 PolarHBondContact O-N 3.45Å; I124-D127 PolarHBondContact O-N 3.03Å; I124-I128 HydrophobicContact CG1-CD1 4.17Å; I124-I128 WeakPolarHBondContact O-CB 3.26Å; I124-I128 WeakPolarHBondContact O-CG1 3.26Å; I124-I128 PolarHBondContact O-N 2.88Å |
| 125 | L | 85 | Confident | 84.2 | Confident | 115 Ų | 115 | 73.3 Ų | 73.3 | 60% | 0.602 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -67.3 | -32.1 | 177.3 | -63.3 | 177.1 | 0 | 0 | 0 | 112.7 | G123 Q129 | G123-L125 PolarHBondContact O-N 2.92Å; L125-Q129 WeakPolarHBondContact O-CB 3.41Å; L125-Q129 PolarHBondContact O-N 3.02Å |
| 126 | S | 88 | Confident | 84.6 | Confident | 85 Ų | 85 | 71.3 Ų | 71.3 | 59% | 0.594 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -69.8 | -41.1 | 173.4 | -171.4 | 0 | 0 | 0 | 0 | 110.9 | G123 I124 Q129 G130 | G123-S126 WeakPolarHBondContact O-CA 3.41Å; G123-S126 VanDerWaalsContact O-CB 3.24Å; G123-S126 WeakPolarHBondContact O-CB 3.38Å; G123-S126 PolarHBondContact O-N 2.97Å; I124-S126 VanDerWaalsContact C-N 3.33Å; I124-S126 PolarHBondContact O-N 3.45Å; S126-Q129 PolarHBondContact O-N 3.46Å; S126-G130 PolarHBondContact O-N 2.8Å |
| 127 | D | 89 | Confident | 85.1 | Confident | 72 Ų | 72 | 68.1 Ų | 68.1 | 39% | 0.385 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -66.7 | -39.9 | 177.7 | -66.4 | -9.7 | 0 | 0 | 0 | 111.6 | I111 Y121 G123 I124 G130 A131 | I111-D127 HydrophobicContact CD1-CB 4.5Å; I111-D127 HydrophobicContact CG2-CB 4.41Å; Y121-D127 VanDerWaalsContact CE2-OD2 3.22Å; Y121-D127 WeakPolarHBondContact CE2-OD2 3.47Å; Y121-D127 PolarHBondContact OH-OD2 3.09Å; G123-D127 PolarHBondContact O-N 3.43Å; I124-D127 PolarHBondContact O-N 3.03Å; D127-G130 PolarHBondContact O-N 2.9Å; D127-A131 VanDerWaalsContact O-CB 3.29Å; D127-A131 WeakPolarHBondContact O-CB 3.37Å; D127-A131 PolarHBondContact O-N 3.2Å |
| 128 | I | 87.4 | Confident | 85.8 | Confident | 13 Ų | 13 | 66.4 Ų | 66.4 | 7% | 0.067 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -59.2 | -49.5 | 171.5 | -75.1 | 172.7 | 0 | 0 | 0 | 110.7 | L108 I111 Q115 I124 G130 A131 A132 N191 | L108-I128 HydrophobicContact CD1-CB 4.39Å; L108-I128 HydrophobicContact CD1-CG1 4.38Å; L108-I128 HydrophobicContact CD1-CG2 4.07Å; I111-I128 HydrophobicContact CB-CG1 4.4Å; I111-I128 HydrophobicContact CG2-CD1 4.25Å; I111-I128 HydrophobicContact CG2-CG1 3.59Å; Q115-I128 HydrophobicContact CB-CD1 4.45Å; I124-I128 HydrophobicContact CG1-CD1 4.17Å; I124-I128 WeakPolarHBondContact O-CB 3.26Å; I124-I128 WeakPolarHBondContact O-CG1 3.26Å; I124-I128 PolarHBondContact O-N 2.88Å; I128-G130 VanDerWaalsContact C-N 3.33Å; I128-G130 PolarHBondContact O-N 3.38Å; I128-A131 PolarHBondContact O-N 2.97Å; I128-A132 WeakPolarHBondContact O-CB 3.49Å; I128-A132 PolarHBondContact O-N 3.29Å; I128-N191 WeakPolarHBondContact CG2-ND2 3.46Å |
| 129 | Q | 86.1 | Confident | 86.5 | Confident | 122 Ų | 122 | 57.9 Ų | 57.9 | 57% | 0.57 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -64.9 | -36.9 | 178.7 | -177 | 57.5 | 56.6 | 0 | 0 | 111.9 | L125 S126 S133 | L125-Q129 WeakPolarHBondContact O-CB 3.41Å; L125-Q129 PolarHBondContact O-N 3.02Å; S126-Q129 PolarHBondContact O-N 3.46Å; Q129-S133 PolarHBondContact NE2-OG 2.88Å; Q129-S133 VanDerWaalsContact O-CB 3.31Å; Q129-S133 WeakPolarHBondContact O-CB 3.48Å; Q129-S133 PolarHBondContact O-N 3.02Å; Q129-S133 PolarHBondContact O-OG 3.13Å |
| 130 | G | 84.6 | Confident | 86.9 | Confident | 41 Ų | 41 | 56.4 Ų | 56.4 | 42% | 0.423 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -64.4 | -49.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | S126 D127 I128 S133 Y134 | S126-G130 PolarHBondContact O-N 2.8Å; D127-G130 PolarHBondContact O-N 2.9Å; I128-G130 VanDerWaalsContact C-N 3.33Å; I128-G130 PolarHBondContact O-N 3.38Å; G130-S133 PolarHBondContact O-N 3.36Å; G130-Y134 WeakPolarHBondContact O-CB 3.35Å; G130-Y134 PolarHBondContact O-N 3.49Å |
| 131 | A | 89.3 | Confident | 87.2 | Confident | 14 Ų | 14 | 57.4 Ų | 57.4 | 12% | 0.116 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -61.9 | -44.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | L108 I111 D127 I128 S133 Y134 I135 | L108-A131 HydrophobicContact CB-CB 4.19Å; L108-A131 HydrophobicContact CD1-CB 4.12Å; I111-A131 HydrophobicContact CD1-CB 4.33Å; D127-A131 VanDerWaalsContact O-CB 3.29Å; D127-A131 WeakPolarHBondContact O-CB 3.37Å; D127-A131 PolarHBondContact O-N 3.2Å; I128-A131 PolarHBondContact O-N 2.97Å; A131-S133 VanDerWaalsContact C-N 3.34Å; A131-S133 PolarHBondContact O-N 3.4Å; A131-Y134 PolarHBondContact O-N 3.07Å; A131-I135 VanDerWaalsContact O-CG1 3.32Å; A131-I135 WeakPolarHBondContact O-CG1 3.37Å; A131-I135 PolarHBondContact O-N 3.13Å |
| 132 | A | 87.8 | Confident | 87.5 | Confident | 9 Ų | 9 | 53.7 Ų | 53.7 | 7% | 0.074 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -60.5 | -42.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L108 I128 Y134 I135 L136 F194 | L108-A132 HydrophobicContact CD2-CB 4.49Å; I128-A132 WeakPolarHBondContact O-CB 3.49Å; I128-A132 PolarHBondContact O-N 3.29Å; A132-Y134 VanDerWaalsContact C-N 3.34Å; A132-Y134 PolarHBondContact O-N 2.67Å; A132-I135 PolarHBondContact O-N 3.37Å; A132-L136 WeakPolarHBondContact O-CG 3.34Å; A132-L136 PolarHBondContact O-N 3.39Å; A132-L136 VanDerWaalsContact O-N 3.1Å; A132-F194 HydrophobicContact CB-CE2 4.1Å; A132-F194 HydrophobicContact CB-CZ 4.37Å |
| 133 | S | 85.2 | Confident | 87.8 | Confident | 57 Ų | 57 | 47.5 Ų | 47.5 | 40% | 0.399 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -65.3 | -36.9 | 176.7 | -54.8 | 0 | 0 | 0 | 0 | 112.2 | Q129 G130 A131 L136 S137 | Q129-S133 PolarHBondContact NE2-OG 2.88Å; Q129-S133 VanDerWaalsContact O-CB 3.31Å; Q129-S133 WeakPolarHBondContact O-CB 3.48Å; Q129-S133 PolarHBondContact O-N 3.02Å; Q129-S133 PolarHBondContact O-OG 3.13Å; G130-S133 PolarHBondContact O-N 3.36Å; A131-S133 VanDerWaalsContact C-N 3.34Å; A131-S133 PolarHBondContact O-N 3.4Å; S133-L136 PolarHBondContact O-N 2.76Å; S133-S137 PolarHBondContact O-N 2.99Å; S133-S137 VanDerWaalsContact O-N 3.11Å |
| 134 | Y | 87.3 | Confident | 87.7 | Confident | 132 Ų | 132 | 49.2 Ų | 49.2 | 52% | 0.518 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -67.1 | -44.7 | 174.7 | -178.1 | -111.3 | 0 | 0 | 0 | 112.1 | A104 G130 A131 A132 L136 S137 C138 | A104-Y134 HydrophobicContact CB-CD1 3.77Å; A104-Y134 HydrophobicContact CB-CE1 3.89Å; G130-Y134 WeakPolarHBondContact O-CB 3.35Å; G130-Y134 PolarHBondContact O-N 3.49Å; A131-Y134 PolarHBondContact O-N 3.07Å; A132-Y134 VanDerWaalsContact C-N 3.34Å; A132-Y134 PolarHBondContact O-N 2.67Å; Y134-L136 VanDerWaalsContact C-N 3.29Å; Y134-L136 PolarHBondContact O-N 2.92Å; Y134-S137 WeakPolarHBondContact O-CA 3.36Å; Y134-S137 WeakPolarHBondContact O-CB 3.47Å; Y134-S137 PolarHBondContact O-N 3.19Å; Y134-C138 PolarHBondContact O-N 3.34Å; Y134-C138 PolarHBondContact O-SG 3.04Å; Y134-C138 VanDerWaalsContact O-SG 3.36Å |
| 135 | I | 89 | Confident | 87.8 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -55.2 | -45.1 | 173.8 | -68.7 | 161.7 | 0 | 0 | 0 | 110.7 | A104 I105 L108 A131 A132 S137 C138 I139 F194 | A104-I135 HydrophobicContact CB-CG1 3.57Å; I105-I135 HydrophobicContact CB-CD1 4.49Å; I105-I135 HydrophobicContact CG1-CD1 4.01Å; I105-I135 HydrophobicContact CG1-CG1 4.25Å; I105-I135 HydrophobicContact CG1-CG2 4.13Å; L108-I135 HydrophobicContact CB-CD1 3.82Å; L108-I135 HydrophobicContact CD2-CD1 3.54Å; L108-I135 HydrophobicContact CG-CD1 4.32Å; A131-I135 VanDerWaalsContact O-CG1 3.32Å; A131-I135 WeakPolarHBondContact O-CG1 3.37Å; A131-I135 PolarHBondContact O-N 3.13Å; A132-I135 PolarHBondContact O-N 3.37Å; I135-S137 VanDerWaalsContact C-N 3.33Å; I135-S137 PolarHBondContact O-N 3.25Å; I135-C138 PolarHBondContact O-N 3.24Å; I135-I139 HydrophobicContact CG2-CD1 3.82Å; I135-I139 HydrophobicContact CG2-CG1 4.41Å; I135-I139 WeakPolarHBondContact O-CG1 3.16Å; I135-I139 PolarHBondContact O-N 3.04Å; I135-F194 HydrophobicContact CG2-CD1 3.73Å; I135-F194 HydrophobicContact CG2-CE1 3.91Å |
| 136 | L | 88.5 | Confident | 88.2 | Confident | 35 Ų | 35 | 43.6 Ų | 43.6 | 18% | 0.183 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.4 | -37.2 | 177.5 | -66.6 | 173.9 | 0 | 0 | 0 | 112.5 | A132 S133 Y134 I139 L140 I186 F194 | A132-L136 WeakPolarHBondContact O-CG 3.34Å; A132-L136 PolarHBondContact O-N 3.39Å; A132-L136 VanDerWaalsContact O-N 3.1Å; S133-L136 PolarHBondContact O-N 2.76Å; Y134-L136 VanDerWaalsContact C-N 3.29Å; Y134-L136 PolarHBondContact O-N 2.92Å; L136-I139 PolarHBondContact O-N 3.28Å; L136-L140 WeakPolarHBondContact O-CG 3.19Å; L136-L140 PolarHBondContact O-N 3.18Å; L136-I186 HydrophobicContact CD1-CD1 3.72Å; L136-I186 HydrophobicContact CD1-CG1 3.92Å; L136-I186 HydrophobicContact CD2-CD1 3.76Å; L136-I186 HydrophobicContact CD2-CG1 4.21Å; L136-I186 HydrophobicContact CG-CD1 4.41Å; L136-F194 HydrophobicContact CD2-CE1 3.99Å; L136-F194 HydrophobicContact CD2-CZ 4.32Å; L136-F194 HydrophobicContact CG-CE1 4.41Å; L136-F194 HydrophobicContact CG-CZ 4.43Å |
| 137 | S | 84.9 | Confident | 88.1 | Confident | 71 Ų | 71 | 39.9 Ų | 39.9 | 50% | 0.497 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -64.5 | -43.2 | 172.6 | -167.3 | 0 | 0 | 0 | 0 | 112.1 | S133 Y134 I135 I139 L140 N141 | S133-S137 PolarHBondContact O-N 2.99Å; S133-S137 VanDerWaalsContact O-N 3.11Å; Y134-S137 WeakPolarHBondContact O-CA 3.36Å; Y134-S137 WeakPolarHBondContact O-CB 3.47Å; Y134-S137 PolarHBondContact O-N 3.19Å; I135-S137 VanDerWaalsContact C-N 3.33Å; I135-S137 PolarHBondContact O-N 3.25Å; S137-I139 PolarHBondContact O-N 2.94Å; S137-L140 PolarHBondContact O-N 3.22Å; S137-N141 PolarHBondContact O-N 3.34Å |
| 138 | C | 91.6 | Very high | 87.9 | Confident | 12 Ų | 12 | 37.7 Ų | 37.7 | 8% | 0.081 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.7 | -39.7 | 175.1 | -62.9 | 0 | 0 | 0 | 0 | 112.3 | I101 Y134 I135 N141 L142 | I101-C138 HydrophobicContact CG1-CB 3.61Å; Y134-C138 PolarHBondContact O-N 3.34Å; Y134-C138 PolarHBondContact O-SG 3.04Å; Y134-C138 VanDerWaalsContact O-SG 3.36Å; I135-C138 PolarHBondContact O-N 3.24Å; C138-N141 PolarHBondContact O-N 3.37Å; C138-L142 PolarHBondContact O-N 3.27Å |
| 139 | I | 91.2 | Very high | 88 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.3 | -45.4 | 174.3 | -70.3 | 171.6 | 0 | 0 | 0 | 110.6 | I101 I135 L136 S137 N141 L142 M143 T178 I197 | I101-I139 HydrophobicContact CD1-CG1 3.86Å; I101-I139 HydrophobicContact CG1-CG1 4.09Å; I101-I139 HydrophobicContact CG2-CG1 4.43Å; I135-I139 HydrophobicContact CG2-CD1 3.82Å; I135-I139 HydrophobicContact CG2-CG1 4.41Å; I135-I139 WeakPolarHBondContact O-CG1 3.16Å; I135-I139 PolarHBondContact O-N 3.04Å; L136-I139 PolarHBondContact O-N 3.28Å; S137-I139 PolarHBondContact O-N 2.94Å; I139-N141 VanDerWaalsContact C-N 3.29Å; I139-N141 PolarHBondContact O-N 3.02Å; I139-L142 WeakPolarHBondContact O-CB 3.18Å; I139-L142 PolarHBondContact O-N 2.79Å; I139-L142 VanDerWaalsContact O-N 3.12Å; I139-M143 HydrophobicContact CG2-CG 4.36Å; I139-M143 VanDerWaalsContact O-CG 3.3Å; I139-M143 WeakPolarHBondContact O-CG 3.45Å; I139-M143 PolarHBondContact O-N 3.03Å; I139-T178 HydrophobicContact CD1-CG2 4.31Å; I139-T178 HydrophobicContact CG1-CG2 4.15Å; I139-T178 HydrophobicContact CG2-CG2 4.02Å; I139-I197 HydrophobicContact CD1-CD1 3.79Å |
| 140 | L | 85.6 | Confident | 88.1 | Confident | 74 Ų | 74 | 31.2 Ų | 31.2 | 39% | 0.387 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -58.3 | -39.8 | 174.8 | -74.3 | 169.8 | 0 | 0 | 0 | 112.5 | L136 S137 M143 S144 L607 | L136-L140 WeakPolarHBondContact O-CG 3.19Å; L136-L140 PolarHBondContact O-N 3.18Å; S137-L140 PolarHBondContact O-N 3.22Å; L140-M143 PolarHBondContact O-N 2.89Å; L140-S144 PolarHBondContact O-N 2.97Å; L140-L607 HydrophobicContact CD2-CB 3.83Å; L140-L607 HydrophobicContact CD2-CD2 4Å; L140-L607 HydrophobicContact CD2-CG 4.45Å; L140-L607 HydrophobicContact CG-CD2 4.37Å |
| 141 | N | 86.5 | Confident | 87.9 | Confident | 88 Ų | 88 | 30 Ų | 30 | 47% | 0.471 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -66.5 | -39.5 | 174.3 | -170.9 | 76.6 | 0 | 0 | 0 | 112.6 | S97 S137 C138 I139 S144 T145 | S97-N141 PolarHBondContact OG-ND2 2.95Å; S137-N141 PolarHBondContact O-N 3.34Å; C138-N141 PolarHBondContact O-N 3.37Å; I139-N141 VanDerWaalsContact C-N 3.29Å; I139-N141 PolarHBondContact O-N 3.02Å; N141-S144 PolarHBondContact O-N 3.14Å; N141-T145 WeakPolarHBondContact O-CB 3.3Å; N141-T145 WeakPolarHBondContact O-CG2 3.4Å; N141-T145 PolarHBondContact O-N 3.32Å; N141-T145 PolarHBondContact O-OG1 2.93Å |
| 142 | L | 92.8 | Very high | 87.7 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.3 | -47.8 | 172.6 | -177.6 | 74.6 | 0 | 0 | 0 | 110.9 | V94 I101 C138 I139 S144 T145 I146 T178 I201 M204 | V94-L142 HydrophobicContact CG1-CD1 3.99Å; I101-L142 HydrophobicContact CD1-CB 3.72Å; I101-L142 HydrophobicContact CD1-CD2 3.65Å; I101-L142 HydrophobicContact CD1-CG 4.19Å; C138-L142 PolarHBondContact O-N 3.27Å; I139-L142 WeakPolarHBondContact O-CB 3.18Å; I139-L142 PolarHBondContact O-N 2.79Å; I139-L142 VanDerWaalsContact O-N 3.12Å; L142-S144 VanDerWaalsContact C-N 3.3Å; L142-S144 PolarHBondContact O-N 3.42Å; L142-T145 WeakPolarHBondContact CA-OG1 3.19Å; L142-T145 PolarHBondContact O-N 3.17Å; L142-T145 PolarHBondContact O-OG1 3.5Å; L142-I146 HydrophobicContact CD1-CD1 3.81Å; L142-I146 HydrophobicContact CD1-CG1 4.18Å; L142-I146 HydrophobicContact CD2-CD1 4.11Å; L142-I146 HydrophobicContact CG-CD1 3.66Å; L142-I146 HydrophobicContact CG-CG1 4.27Å; L142-I146 WeakPolarHBondContact O-CB 3.41Å; L142-I146 WeakPolarHBondContact O-CG1 3.49Å; L142-I146 PolarHBondContact O-N 3.1Å; L142-T178 HydrophobicContact CD2-CG2 4.33Å; L142-I201 HydrophobicContact CD2-CD1 3.36Å; L142-M204 HydrophobicContact CD1-SD 4.39Å; L142-M204 HydrophobicContact CD2-CE 4.23Å |
| 143 | M | 89.7 | Confident | 87.6 | Confident | 2 Ų | 2 | 29.7 Ų | 29.7 | 1% | 0.01 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -59.5 | -41.2 | 179 | -62.6 | -46.6 | -73 | 0 | 0 | 111.8 | I139 L140 A147 A175 N179 F599 L603 | I139-M143 HydrophobicContact CG2-CG 4.36Å; I139-M143 VanDerWaalsContact O-CG 3.3Å; I139-M143 WeakPolarHBondContact O-CG 3.45Å; I139-M143 PolarHBondContact O-N 3.03Å; L140-M143 PolarHBondContact O-N 2.89Å; M143-A147 VanDerWaalsContact O-CB 3.31Å; M143-A147 WeakPolarHBondContact O-CB 3.42Å; M143-A147 PolarHBondContact O-N 2.87Å; M143-A175 VanDerWaalsContact CE-C 3.45Å; M143-A175 HydrophobicContact CE-CB 3.56Å; M143-A175 WeakPolarHBondContact CE-O 3.25Å; M143-A175 HydrophobicContact SD-CB 3.71Å; M143-N179 HydrophobicContact CE-CB 3.84Å; M143-N179 HydrophobicContact SD-CB 4.05Å; M143-F599 HydrophobicContact CE-CE2 3.56Å; M143-F599 HydrophobicContact CE-CZ 3.51Å; M143-L603 HydrophobicContact CB-CD1 3.9Å; M143-L603 HydrophobicContact CB-CD2 3.61Å; M143-L603 HydrophobicContact CB-CG 4.42Å; M143-L603 HydrophobicContact CE-CD1 4.14Å; M143-L603 HydrophobicContact CE-CD2 3.57Å; M143-L603 HydrophobicContact CE-CG 4.13Å; M143-L603 HydrophobicContact CG-CD2 3.69Å; M143-L603 HydrophobicContact SD-CD2 4.49Å |
| 144 | S | 85.2 | Confident | 87.4 | Confident | 79 Ų | 79 | 29.1 Ų | 29.1 | 55% | 0.552 | 16% | 0.158 | S | C | * | . | H | α-helix | trans | -70.3 | -33.6 | 176.7 | -167.9 | 0 | 0 | 0 | 0 | 113.7 | L140 N141 L142 N148 | L140-S144 PolarHBondContact O-N 2.97Å; N141-S144 PolarHBondContact O-N 3.14Å; L142-S144 VanDerWaalsContact C-N 3.3Å; L142-S144 PolarHBondContact O-N 3.42Å; S144-N148 PolarHBondContact O-N 3.28Å |
| 145 | T | 89.8 | Confident | 86.7 | Confident | 10 Ų | 10 | 25 Ų | 25 | 6% | 0.061 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -77.8 | -36.7 | 178.2 | 48.4 | 0 | 0 | 0 | 0 | 112 | R93 N141 L142 N148 A149 | R93-T145 HydrophobicContact CB-CG2 4.01Å; N141-T145 WeakPolarHBondContact O-CB 3.3Å; N141-T145 WeakPolarHBondContact O-CG2 3.4Å; N141-T145 PolarHBondContact O-N 3.32Å; N141-T145 PolarHBondContact O-OG1 2.93Å; L142-T145 WeakPolarHBondContact CA-OG1 3.19Å; L142-T145 PolarHBondContact O-N 3.17Å; L142-T145 PolarHBondContact O-OG1 3.5Å; T145-N148 PolarHBondContact O-N 2.7Å; T145-A149 PolarHBondContact O-N 2.78Å |
| 146 | I | 92.5 | Very high | 85.9 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -66.4 | -39.5 | 171.1 | -69 | 175.8 | 0 | 0 | 0 | 111.2 | V94 L142 N148 A149 A150 L171 A175 M204 F599 | V94-I146 HydrophobicContact CG1-CD1 4.28Å; V94-I146 HydrophobicContact CG1-CG1 3.83Å; V94-I146 HydrophobicContact CG2-CG1 4.01Å; L142-I146 HydrophobicContact CD1-CD1 3.81Å; L142-I146 HydrophobicContact CD1-CG1 4.18Å; L142-I146 HydrophobicContact CD2-CD1 4.11Å; L142-I146 HydrophobicContact CG-CD1 3.66Å; L142-I146 HydrophobicContact CG-CG1 4.27Å; L142-I146 WeakPolarHBondContact O-CB 3.41Å; L142-I146 WeakPolarHBondContact O-CG1 3.49Å; L142-I146 PolarHBondContact O-N 3.1Å; I146-N148 VanDerWaalsContact C-N 3.28Å; I146-N148 PolarHBondContact O-N 2.78Å; I146-A149 PolarHBondContact O-N 3.39Å; I146-A150 WeakPolarHBondContact O-CB 3.38Å; I146-A150 PolarHBondContact O-N 3.23Å; I146-L171 HydrophobicContact CG2-CB 4.1Å; I146-A175 HydrophobicContact CB-CB 4.45Å; I146-A175 HydrophobicContact CD1-CB 3.69Å; I146-A175 HydrophobicContact CG2-CB 3.97Å; I146-M204 HydrophobicContact CD1-CE 3.58Å; I146-M204 HydrophobicContact CD1-SD 3.53Å; I146-M204 VanDerWaalsContact CD1-SD 3.53Å; I146-F599 HydrophobicContact CG2-CZ 4.36Å |
| 147 | A | 85.5 | Confident | 85.2 | Confident | 6 Ų | 6 | 26 Ų | 26 | 5% | 0.05 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -57.2 | -42.6 | 173 | 0 | 0 | 0 | 0 | 0 | 112.1 | M143 S151 L596 F599 M600 | M143-A147 VanDerWaalsContact O-CB 3.31Å; M143-A147 WeakPolarHBondContact O-CB 3.42Å; M143-A147 PolarHBondContact O-N 2.87Å; A147-S151 WeakPolarHBondContact O-CB 3.26Å; A147-S151 PolarHBondContact O-N 2.93Å; A147-L596 HydrophobicContact CB-CD1 4.33Å; A147-F599 HydrophobicContact CB-CE1 4.09Å; A147-M600 HydrophobicContact CB-CE 4.21Å; A147-M600 HydrophobicContact CB-CG 4.34Å; A147-M600 HydrophobicContact CB-SD 3.31Å; A147-M600 WeakPolarHBondContact CB-SD 3.49Å |
| 148 | N | 84.7 | Confident | 85.1 | Confident | 26 Ų | 26 | 22.8 Ų | 22.8 | 14% | 0.139 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -64.7 | -48 | 174.5 | -172.9 | 20.1 | 0 | 0 | 0 | 111.6 | Y77 E85 V90 S144 T145 I146 A150 S151 W152 | Y77-N148 PolarHBondContact OH-ND2 2.84Å; Y77-N148 VanDerWaalsContact OH-ND2 3.08Å; E85-N148 PolarHBondContact OE1-ND2 3.44Å; V90-N148 HydrophobicContact CG1-CB 4.09Å; S144-N148 PolarHBondContact O-N 3.28Å; T145-N148 PolarHBondContact O-N 2.7Å; I146-N148 VanDerWaalsContact C-N 3.28Å; I146-N148 PolarHBondContact O-N 2.78Å; N148-A150 VanDerWaalsContact C-N 3.34Å; N148-A150 PolarHBondContact O-N 2.85Å; N148-S151 WeakPolarHBondContact O-CA 3.39Å; N148-S151 WeakPolarHBondContact O-CB 3.44Å; N148-S151 PolarHBondContact O-N 2.87Å; N148-S151 PolarHBondContact O-OG 2.79Å; N148-W152 PolarHBondContact O-N 3.23Å; N148-W152 VanDerWaalsContact O-N 3.09Å |
| 149 | A | 89.4 | Confident | 84.6 | Confident | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -56.9 | -45.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | V90 L91 V94 T145 I146 S151 W152 L153 L171 | V90-A149 HydrophobicContact CG1-CB 3.8Å; L91-A149 HydrophobicContact CD2-CB 4.25Å; V94-A149 HydrophobicContact CG2-CB 4.35Å; T145-A149 PolarHBondContact O-N 2.78Å; I146-A149 PolarHBondContact O-N 3.39Å; A149-S151 VanDerWaalsContact C-N 3.29Å; A149-S151 PolarHBondContact O-N 2.99Å; A149-W152 WeakPolarHBondContact O-CB 3.39Å; A149-W152 PolarHBondContact O-N 3.02Å; A149-L153 VanDerWaalsContact O-CG 3.28Å; A149-L153 WeakPolarHBondContact O-CG 3.47Å; A149-L153 PolarHBondContact O-N 3.23Å; A149-L171 HydrophobicContact CB-CD1 4.38Å |
| 150 | A | 88.3 | Confident | 84.1 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.5 | -34.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | I146 N148 W152 L153 E154 R168 V172 L596 | I146-A150 WeakPolarHBondContact O-CB 3.38Å; I146-A150 PolarHBondContact O-N 3.23Å; N148-A150 VanDerWaalsContact C-N 3.34Å; N148-A150 PolarHBondContact O-N 2.85Å; A150-W152 VanDerWaalsContact C-N 3.32Å; A150-W152 PolarHBondContact O-N 3.05Å; A150-L153 PolarHBondContact O-N 3Å; A150-E154 WeakPolarHBondContact O-CB 3.28Å; A150-E154 WeakPolarHBondContact O-CG 3.48Å; A150-E154 PolarHBondContact O-N 3.43Å; A150-R168 HydrophobicContact CB-CG 4.15Å; A150-V172 HydrophobicContact CB-CG2 3.85Å; A150-L596 HydrophobicContact CB-CD1 4.04Å |
| 151 | S | 81.9 | Confident | 84 | Confident | 14 Ų | 14 | 30.3 Ų | 30.3 | 10% | 0.098 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -67 | -30.8 | 176.1 | 90.8 | 0 | 0 | 0 | 0 | 113.6 | A147 N148 A149 R155 | A147-S151 WeakPolarHBondContact O-CB 3.26Å; A147-S151 PolarHBondContact O-N 2.93Å; N148-S151 WeakPolarHBondContact O-CA 3.39Å; N148-S151 WeakPolarHBondContact O-CB 3.44Å; N148-S151 PolarHBondContact O-N 2.87Å; N148-S151 PolarHBondContact O-OG 2.79Å; A149-S151 VanDerWaalsContact C-N 3.29Å; A149-S151 PolarHBondContact O-N 2.99Å; S151-R155 WeakPolarHBondContact O-CD 3.44Å; S151-R155 WeakPolarHBondContact O-CG 3.44Å; S151-R155 PolarHBondContact O-NE 2.95Å |
| 152 | W | 84 | Confident | 83.9 | Confident | 16 Ų | 16 | 31.1 Ų | 31.1 | 6% | 0.061 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -72.3 | -49.1 | 170.2 | -83.3 | 66.6 | 0 | 0 | 0 | 110.7 | E85 L87 N148 A149 A150 E154 R155 F158 C224 P309 | E85-W152 HydrophobicContact CB-CZ2 4.26Å; E85-W152 HydrophobicContact CG-CZ2 3.79Å; E85-W152 WeakPolarHBondContact O-CH2 3.3Å; E85-W152 WeakPolarHBondContact O-CZ2 3.45Å; L87-W152 HydrophobicContact CB-CD2 4.4Å; L87-W152 HydrophobicContact CB-CE3 3.65Å; L87-W152 HydrophobicContact CB-CZ3 3.97Å; L87-W152 HydrophobicContact CD1-CB 3.82Å; L87-W152 HydrophobicContact CD1-CD2 4.41Å; L87-W152 HydrophobicContact CD1-CE3 4.39Å; L87-W152 HydrophobicContact CD1-CG 4.21Å; L87-W152 HydrophobicContact CG-CE3 4.44Å; L87-W152 VanDerWaalsContact N-CZ3 3.33Å; N148-W152 PolarHBondContact O-N 3.23Å; N148-W152 VanDerWaalsContact O-N 3.09Å; A149-W152 WeakPolarHBondContact O-CB 3.39Å; A149-W152 PolarHBondContact O-N 3.02Å; A150-W152 VanDerWaalsContact C-N 3.32Å; A150-W152 PolarHBondContact O-N 3.05Å; W152-E154 VanDerWaalsContact C-N 3.28Å; W152-E154 PolarHBondContact O-N 3.38Å; W152-R155 PolarHBondContact O-N 2.85Å; W152-R155 VanDerWaalsContact O-N 3.08Å; W152-F158 HydrophobicContact CE3-CE2 4.03Å; W152-C224 WeakPolarHBondContact CH2-SG 3.47Å; W152-P309 HydrophobicContact CE3-CG 4.08Å; W152-P309 HydrophobicContact CH2-CG 4.1Å; W152-P309 HydrophobicContact CZ3-CG 3.42Å; W152-P309 VanDerWaalsContact CZ3-CG 3.42Å |
| 153 | L | 86.1 | Confident | 83.6 | Confident | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -68 | -22.1 | -178.3 | -63.3 | 165 | 0 | 0 | 0 | 113.7 | L87 A149 A150 R155 F158 S159 M164 F167 R168 L171 | L87-L153 HydrophobicContact CD2-CD2 3.85Å; L87-L153 HydrophobicContact CD2-CG 4.47Å; A149-L153 VanDerWaalsContact O-CG 3.28Å; A149-L153 WeakPolarHBondContact O-CG 3.47Å; A149-L153 PolarHBondContact O-N 3.23Å; A150-L153 PolarHBondContact O-N 3Å; L153-R155 PolarHBondContact O-N 2.72Å; L153-F158 HydrophobicContact CD2-CB 4.16Å; L153-F158 HydrophobicContact CD2-CG 4.46Å; L153-S159 WeakPolarHBondContact O-CB 3.43Å; L153-S159 PolarHBondContact O-N 3.14Å; L153-M164 HydrophobicContact CD2-CB 3.99Å; L153-M164 HydrophobicContact CD2-CG 4.4Å; L153-M164 HydrophobicContact CD2-SD 3.95Å; L153-F167 HydrophobicContact CD1-CD1 4.03Å; L153-F167 HydrophobicContact CD1-CE1 4.42Å; L153-F167 HydrophobicContact CD2-CD1 4.49Å; L153-R168 HydrophobicContact CB-CB 3.79Å; L153-R168 HydrophobicContact CB-CG 4.15Å; L153-R168 HydrophobicContact CD1-CB 3.86Å; L153-R168 HydrophobicContact CG-CB 4.45Å; L153-L171 HydrophobicContact CD1-CD1 4.16Å |
| 154 | E | 80.2 | Confident | 83.5 | Confident | 45 Ų | 45 | 37.7 Ų | 37.7 | 21% | 0.21 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68 | -9.7 | 170.5 | -85.4 | -158.8 | 175.4 | 0 | 0 | 114.2 | A150 W152 S159 R168 R244 L596 | A150-E154 WeakPolarHBondContact O-CB 3.28Å; A150-E154 WeakPolarHBondContact O-CG 3.48Å; A150-E154 PolarHBondContact O-N 3.43Å; W152-E154 VanDerWaalsContact C-N 3.28Å; W152-E154 PolarHBondContact O-N 3.38Å; E154-S159 WeakPolarHBondContact O-CB 3.26Å; E154-R168 IonicContact OE1-CZ 3.73Å; E154-R168 IonicContact OE1-NE 3.24Å; E154-R168 IonicContact OE1-NH2 3.37Å; E154-R168 PolarHBondContact OE1-NH2 3.39Å; E154-R244 IonicContact OE2-NH2 3.82Å; E154-R244 PolarHBondContact OE2-NH2 3.14Å; E154-L596 VanDerWaalsContact OE1-CB 3.25Å; E154-L596 WeakPolarHBondContact OE1-CB 3.48Å; E154-L596 PolarHBondContact OE1-N 3.36Å |
| 155 | R | 73.9 | Confident | 83.6 | Confident | 46 Ų | 46 | 36.9 Ų | 36.9 | 17% | 0.174 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -113 | 141.6 | -173 | -56.7 | 176.6 | -154.9 | -161.4 | 8.1 | 111 | S151 W152 L153 F158 S159 E273 | S151-R155 WeakPolarHBondContact O-CD 3.44Å; S151-R155 WeakPolarHBondContact O-CG 3.44Å; S151-R155 PolarHBondContact O-NE 2.95Å; W152-R155 PolarHBondContact O-N 2.85Å; W152-R155 VanDerWaalsContact O-N 3.08Å; L153-R155 PolarHBondContact O-N 2.72Å; R155-F158 WeakPolarHBondContact O-CB 3.08Å; R155-F158 PolarHBondContact O-N 2.76Å; R155-F158 VanDerWaalsContact O-N 3.08Å; R155-S159 PolarHBondContact O-N 3.24Å; R155-E273 IonicContact CZ-OE1 3.94Å; R155-E273 IonicContact NH1-OE1 3.82Å; R155-E273 PolarHBondContact NH1-OE1 3.08Å; R155-E273 IonicContact NH2-OE1 2.82Å; R155-E273 PolarHBondContact NH2-OE1 2.95Å |
| 156 | P | 71 | Confident | 83.6 | Confident | 22 Ų | 22 | 40.7 Ų | 40.7 | 14% | 0.143 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | 146.6 | 164 | -27.5 | 36 | 0 | 0 | 0 | 111.3 | S159 L160 R308 | P156-S159 WeakPolarHBondContact CD-OG 3.35Å; P156-S159 WeakPolarHBondContact CG-OG 3.33Å; P156-L160 HydrophobicContact CB-CD1 3.88Å; P156-L160 HydrophobicContact CB-CG 3.9Å; P156-L160 HydrophobicContact CG-CD1 4.34Å; P156-L160 HydrophobicContact CG-CD2 4.2Å; P156-L160 HydrophobicContact CG-CG 4.04Å; P156-R308 WeakPolarHBondContact O-CD 3.35Å; P156-R308 WeakPolarHBondContact O-CG 3.04Å; P156-R308 PolarHBondContact O-NE 2.96Å |
| 157 | P | 74.4 | Confident | 83.6 | Confident | 34 Ų | 34 | 41.1 Ų | 41.1 | 22% | 0.221 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -75.4 | -22.5 | 3.1 | 25 | -28.3 | 0 | 0 | 0 | 114.4 | S159 L160 I219 P309 | P157-S159 VanDerWaalsContact C-N 3.33Å; P157-S159 PolarHBondContact O-N 2.98Å; P157-L160 WeakPolarHBondContact O-CA 3.09Å; P157-L160 WeakPolarHBondContact O-CB 3.36Å; P157-L160 PolarHBondContact O-N 2.84Å; P157-I219 HydrophobicContact CG-CD1 3.39Å; P157-I219 HydrophobicContact CG-CG1 4.23Å; P157-P309 WeakPolarHBondContact CD-O 3.15Å |
| 158 | F | 82.5 | Confident | 83.9 | Confident | 4 Ų | 4 | 42.4 Ų | 42.4 | 2% | 0.018 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -55.2 | -41.7 | -177 | -51.7 | -66.2 | 0 | 0 | 0 | 114 | L87 W152 L153 R155 L160 L161 M164 I219 L220 P309 | L87-F158 HydrophobicContact CB-CZ 4.31Å; L87-F158 HydrophobicContact CD2-CD1 3.85Å; L87-F158 HydrophobicContact CD2-CD2 4.14Å; L87-F158 HydrophobicContact CD2-CE1 3.64Å; L87-F158 HydrophobicContact CD2-CE2 3.94Å; L87-F158 HydrophobicContact CD2-CG 4.11Å; L87-F158 HydrophobicContact CD2-CZ 3.68Å; W152-F158 HydrophobicContact CE3-CE2 4.03Å; L153-F158 HydrophobicContact CD2-CB 4.16Å; L153-F158 HydrophobicContact CD2-CG 4.46Å; R155-F158 WeakPolarHBondContact O-CB 3.08Å; R155-F158 PolarHBondContact O-N 2.76Å; R155-F158 VanDerWaalsContact O-N 3.08Å; F158-L160 PolarHBondContact O-N 3.47Å; F158-L160 VanDerWaalsContact O-N 3.1Å; F158-L161 PolarHBondContact O-N 3.05Å; F158-M164 HydrophobicContact CB-CB 4.29Å; F158-M164 HydrophobicContact CD1-CG 4.39Å; F158-M164 WeakPolarHBondContact O-CB 3.36Å; F158-I219 HydrophobicContact CE1-CG1 4.32Å; F158-I219 HydrophobicContact CE1-CG2 4.03Å; F158-I219 HydrophobicContact CZ-CG1 4.07Å; F158-L220 HydrophobicContact CE1-CD2 3.95Å; F158-P309 HydrophobicContact CE2-CG 4.13Å |
| 159 | S | 80.5 | Confident | 84.1 | Confident | 40 Ų | 40 | 44.5 Ų | 44.5 | 28% | 0.28 | 24% | 0.239 | S | C | . | . | G | 310 helix | trans | -70.5 | -3.2 | 177.8 | 91.6 | 0 | 0 | 0 | 0 | 114.7 | L153 E154 R155 P156 P157 | L153-S159 WeakPolarHBondContact O-CB 3.43Å; L153-S159 PolarHBondContact O-N 3.14Å; E154-S159 WeakPolarHBondContact O-CB 3.26Å; R155-S159 PolarHBondContact O-N 3.24Å; P156-S159 WeakPolarHBondContact CD-OG 3.35Å; P156-S159 WeakPolarHBondContact CG-OG 3.33Å; P157-S159 VanDerWaalsContact C-N 3.33Å; P157-S159 PolarHBondContact O-N 2.98Å |
| 160 | L | 81.1 | Confident | 84.4 | Confident | 128 Ų | 128 | 47 Ų | 47 | 67% | 0.67 | 25% | 0.25 | S | C | * | . | G | 310 helix | trans | -100.1 | -12.4 | 172.5 | -53.5 | 179.2 | 0 | 0 | 0 | 111.7 | P156 P157 F158 P162 | P156-L160 HydrophobicContact CB-CD1 3.88Å; P156-L160 HydrophobicContact CB-CG 3.9Å; P156-L160 HydrophobicContact CG-CD1 4.34Å; P156-L160 HydrophobicContact CG-CD2 4.2Å; P156-L160 HydrophobicContact CG-CG 4.04Å; P157-L160 WeakPolarHBondContact O-CA 3.09Å; P157-L160 WeakPolarHBondContact O-CB 3.36Å; P157-L160 PolarHBondContact O-N 2.84Å; F158-L160 PolarHBondContact O-N 3.47Å; F158-L160 VanDerWaalsContact O-N 3.1Å; L160-P162 WeakPolarHBondContact O-CD 3.34Å |
| 161 | L | 83.5 | Confident | 84.6 | Confident | 75 Ų | 75 | 47 Ų | 47 | 39% | 0.393 | 25% | 0.25 | S | C | . | . | S | Bend | trans | -92.4 | 111.3 | 177.6 | -59.8 | 176.7 | 0 | 0 | 0 | 108.9 | F158 E163 M164 V165 | F158-L161 PolarHBondContact O-N 3.05Å; L161-E163 VanDerWaalsContact C-N 3.26Å; L161-E163 PolarHBondContact O-N 2.87Å; L161-M164 HydrophobicContact CB-CB 4.07Å; L161-M164 HydrophobicContact CB-CG 3.94Å; L161-M164 HydrophobicContact CD1-CG 4.07Å; L161-M164 PolarHBondContact O-N 2.86Å; L161-V165 PolarHBondContact O-N 2.93Å |
| 162 | P | 84.5 | Confident | 85 | Confident | 105 Ų | 105 | 47 Ų | 47 | 68% | 0.682 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -57.7 | -36.3 | -173.3 | -27.3 | 36.1 | 0 | 0 | 0 | 113.9 | L160 V165 V166 | L160-P162 WeakPolarHBondContact O-CD 3.34Å; P162-V165 PolarHBondContact O-N 3.39Å; P162-V166 WeakPolarHBondContact O-CG2 3.35Å; P162-V166 PolarHBondContact O-N 2.64Å |
| 163 | E | 86.8 | Confident | 85.3 | Confident | 124 Ų | 124 | 49.7 Ų | 49.7 | 58% | 0.579 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -61.9 | -43.3 | 176.2 | -176.2 | 175.1 | -161.6 | 0 | 0 | 112.5 | L161 V165 V166 F167 | L161-E163 VanDerWaalsContact C-N 3.26Å; L161-E163 PolarHBondContact O-N 2.87Å; E163-V165 VanDerWaalsContact C-N 3.3Å; E163-V165 PolarHBondContact O-N 2.87Å; E163-V166 PolarHBondContact O-N 2.79Å; E163-F167 WeakPolarHBondContact O-CB 3.41Å; E163-F167 PolarHBondContact O-N 3.43Å |
| 164 | M | 87.5 | Confident | 85.5 | Confident | 17 Ų | 17 | 50.3 Ų | 50.3 | 8% | 0.084 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -68 | -31.3 | 178.2 | -68 | -62.7 | 111.8 | 0 | 0 | 112.1 | L153 F158 L161 F167 R168 V211 | L153-M164 HydrophobicContact CD2-CB 3.99Å; L153-M164 HydrophobicContact CD2-CG 4.4Å; L153-M164 HydrophobicContact CD2-SD 3.95Å; F158-M164 HydrophobicContact CB-CB 4.29Å; F158-M164 HydrophobicContact CD1-CG 4.39Å; F158-M164 WeakPolarHBondContact O-CB 3.36Å; L161-M164 HydrophobicContact CB-CB 4.07Å; L161-M164 HydrophobicContact CB-CG 3.94Å; L161-M164 HydrophobicContact CD1-CG 4.07Å; L161-M164 PolarHBondContact O-N 2.86Å; M164-F167 HydrophobicContact SD-CD1 4.44Å; M164-R168 WeakPolarHBondContact O-CB 3.39Å; M164-R168 PolarHBondContact O-N 2.96Å; M164-V211 HydrophobicContact CE-CG1 4.37Å |
| 165 | V | 87 | Confident | 86.1 | Confident | 61 Ų | 61 | 48.1 Ų | 48.1 | 37% | 0.37 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -67.4 | -42.3 | 172.7 | 176.9 | 0 | 0 | 0 | 0 | 111.2 | L161 P162 E163 Q169 | L161-V165 PolarHBondContact O-N 2.93Å; P162-V165 PolarHBondContact O-N 3.39Å; E163-V165 VanDerWaalsContact C-N 3.3Å; E163-V165 PolarHBondContact O-N 2.87Å; V165-Q169 PolarHBondContact O-N 3.13Å; V165-Q169 VanDerWaalsContact O-N 3.13Å |
| 166 | V | 90.7 | Very high | 86.7 | Confident | 90 Ų | 90 | 46.3 Ų | 46.3 | 55% | 0.545 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -66.3 | -42.2 | 173.8 | 173.8 | 0 | 0 | 0 | 0 | 111.1 | P162 E163 Q169 F170 | P162-V166 WeakPolarHBondContact O-CG2 3.35Å; P162-V166 PolarHBondContact O-N 2.64Å; E163-V166 PolarHBondContact O-N 2.79Å; V166-Q169 WeakPolarHBondContact O-CB 3.28Å; V166-Q169 PolarHBondContact O-N 3.45Å; V166-Q169 VanDerWaalsContact O-N 3.14Å; V166-F170 PolarHBondContact O-N 3Å |
| 167 | F | 92.1 | Very high | 87.6 | Confident | 9 Ų | 9 | 47.3 Ų | 47.3 | 4% | 0.039 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63 | -43.1 | 177 | 179.8 | -124.7 | 0 | 0 | 0 | 112.3 | L91 L153 E163 M164 Q169 F170 L171 R207 V208 V211 | L91-F167 HydrophobicContact CD1-CE1 4Å; L91-F167 HydrophobicContact CD1-CZ 4.47Å; L91-F167 HydrophobicContact CD2-CE1 3.76Å; L91-F167 HydrophobicContact CD2-CZ 3.96Å; L153-F167 HydrophobicContact CD1-CD1 4.03Å; L153-F167 HydrophobicContact CD1-CE1 4.42Å; L153-F167 HydrophobicContact CD2-CD1 4.49Å; E163-F167 WeakPolarHBondContact O-CB 3.41Å; E163-F167 PolarHBondContact O-N 3.43Å; M164-F167 HydrophobicContact SD-CD1 4.44Å; F167-Q169 VanDerWaalsContact C-N 3.29Å; F167-Q169 PolarHBondContact O-N 3.02Å; F167-F170 HydrophobicContact CD2-CD1 4.47Å; F167-F170 PolarHBondContact O-N 2.7Å; F167-L171 HydrophobicContact CD1-CD1 4.3Å; F167-L171 HydrophobicContact CD2-CG 4.38Å; F167-L171 HydrophobicContact CE1-CD1 3.88Å; F167-L171 HydrophobicContact CE2-CD1 4.23Å; F167-L171 HydrophobicContact CE2-CD2 4.12Å; F167-L171 HydrophobicContact CE2-CG 4.09Å; F167-L171 HydrophobicContact CZ-CD1 3.85Å; F167-L171 HydrophobicContact CZ-CD2 4.28Å; F167-L171 HydrophobicContact CZ-CG 4.21Å; F167-L171 WeakPolarHBondContact O-CG 3.12Å; F167-L171 PolarHBondContact O-N 2.78Å; F167-R207 HydrophobicContact CD2-CG 4.19Å; F167-R207 HydrophobicContact CE2-CG 4.09Å; F167-V208 HydrophobicContact CE2-CG2 4.28Å; F167-V208 HydrophobicContact CZ-CG2 4.05Å; F167-V211 HydrophobicContact CD1-CG1 4.46Å; F167-V211 HydrophobicContact CD1-CG2 4.41Å; F167-V211 HydrophobicContact CD2-CG2 4.07Å; F167-V211 HydrophobicContact CE1-CB 4.32Å; F167-V211 HydrophobicContact CE1-CG1 3.99Å; F167-V211 HydrophobicContact CE1-CG2 4.22Å; F167-V211 HydrophobicContact CE2-CB 4.46Å; F167-V211 HydrophobicContact CE2-CG2 3.88Å; F167-V211 HydrophobicContact CG-CG2 4.33Å; F167-V211 HydrophobicContact CZ-CB 4.08Å; F167-V211 HydrophobicContact CZ-CG1 4.25Å; F167-V211 HydrophobicContact CZ-CG2 3.95Å |
| 168 | R | 91.6 | Very high | 88.3 | Confident | 34 Ų | 34 | 45.7 Ų | 45.7 | 13% | 0.128 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -53.1 | -48.7 | 169.4 | 175.4 | -170.2 | 161.9 | -82 | 7.3 | 111.1 | A150 L153 E154 M164 L171 V172 S594 | A150-R168 HydrophobicContact CB-CG 4.15Å; L153-R168 HydrophobicContact CB-CB 3.79Å; L153-R168 HydrophobicContact CB-CG 4.15Å; L153-R168 HydrophobicContact CD1-CB 3.86Å; L153-R168 HydrophobicContact CG-CB 4.45Å; E154-R168 IonicContact OE1-CZ 3.73Å; E154-R168 IonicContact OE1-NE 3.24Å; E154-R168 IonicContact OE1-NH2 3.37Å; E154-R168 PolarHBondContact OE1-NH2 3.39Å; M164-R168 WeakPolarHBondContact O-CB 3.39Å; M164-R168 PolarHBondContact O-N 2.96Å; R168-L171 PolarHBondContact O-N 3.35Å; R168-V172 HydrophobicContact CG-CG2 4.5Å; R168-V172 WeakPolarHBondContact O-CG2 3.24Å; R168-V172 PolarHBondContact O-N 3.18Å; R168-S594 PolarHBondContact NH2-O 2.82Å |
| 169 | Q | 90 | Very high | 88.6 | Confident | 69 Ų | 69 | 45.5 Ų | 45.5 | 32% | 0.322 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -62.7 | -45.6 | -176.1 | -166 | 177.1 | 50 | 0 | 0 | 111 | V165 V166 F167 L171 V172 E173 H592 | V165-Q169 PolarHBondContact O-N 3.13Å; V165-Q169 VanDerWaalsContact O-N 3.13Å; V166-Q169 WeakPolarHBondContact O-CB 3.28Å; V166-Q169 PolarHBondContact O-N 3.45Å; V166-Q169 VanDerWaalsContact O-N 3.14Å; F167-Q169 VanDerWaalsContact C-N 3.29Å; F167-Q169 PolarHBondContact O-N 3.02Å; Q169-L171 PolarHBondContact O-N 3.31Å; Q169-V172 PolarHBondContact O-N 2.72Å; Q169-E173 WeakPolarHBondContact O-CB 3.46Å; Q169-E173 PolarHBondContact O-N 3.47Å; Q169-H592 WeakPolarHBondContact CG-ND1 3.44Å; Q169-H592 PolarHBondContact NE2-O 3.33Å |
| 170 | F | 93.9 | Very high | 88.7 | Confident | 52 Ų | 52 | 47.4 Ų | 47.4 | 23% | 0.228 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58.8 | -44 | 173.9 | 168.6 | -91 | 0 | 0 | 0 | 113.1 | V166 F167 N174 M204 R207 | V166-F170 PolarHBondContact O-N 3Å; F167-F170 HydrophobicContact CD2-CD1 4.47Å; F167-F170 PolarHBondContact O-N 2.7Å; F170-N174 WeakPolarHBondContact CD2-ND2 3.45Å; F170-N174 VanDerWaalsContact CE2-ND2 3.29Å; F170-N174 WeakPolarHBondContact CE2-ND2 3.31Å; F170-N174 PolarHBondContact O-N 3.13Å; F170-N174 VanDerWaalsContact O-N 3.08Å; F170-N174 PolarHBondContact O-ND2 2.86Å; F170-M204 HydrophobicContact CE1-CB 4.35Å; F170-M204 HydrophobicContact CE1-CG 4.1Å; F170-M204 HydrophobicContact CZ-CB 4.45Å; F170-R207 HydrophobicContact CD1-CB 4.38Å; F170-R207 HydrophobicContact CD1-CG 4.1Å; F170-R207 HydrophobicContact CE1-CB 3.55Å; F170-R207 HydrophobicContact CE1-CG 3.74Å; F170-R207 HydrophobicContact CZ-CB 3.8Å; F170-R207 HydrophobicContact CZ-CG 4.14Å |
| 171 | L | 94 | Very high | 88.9 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63 | -47.1 | 177.1 | -70.6 | 178.3 | 0 | 0 | 0 | 111.6 | L91 I146 A149 L153 F167 R168 Q169 A175 M204 V208 | L91-L171 HydrophobicContact CD2-CD1 4.2Å; I146-L171 HydrophobicContact CG2-CB 4.1Å; A149-L171 HydrophobicContact CB-CD1 4.38Å; L153-L171 HydrophobicContact CD1-CD1 4.16Å; F167-L171 HydrophobicContact CD1-CD1 4.3Å; F167-L171 HydrophobicContact CD2-CG 4.38Å; F167-L171 HydrophobicContact CE1-CD1 3.88Å; F167-L171 HydrophobicContact CE2-CD1 4.23Å; F167-L171 HydrophobicContact CE2-CD2 4.12Å; F167-L171 HydrophobicContact CE2-CG 4.09Å; F167-L171 HydrophobicContact CZ-CD1 3.85Å; F167-L171 HydrophobicContact CZ-CD2 4.28Å; F167-L171 HydrophobicContact CZ-CG 4.21Å; F167-L171 WeakPolarHBondContact O-CG 3.12Å; F167-L171 PolarHBondContact O-N 2.78Å; R168-L171 PolarHBondContact O-N 3.35Å; Q169-L171 PolarHBondContact O-N 3.31Å; L171-A175 WeakPolarHBondContact O-CB 3.24Å; L171-A175 PolarHBondContact O-N 2.92Å; L171-M204 HydrophobicContact CD2-CG 3.9Å; L171-M204 HydrophobicContact CD2-SD 4.28Å; L171-V208 HydrophobicContact CD2-CG2 3.63Å |
| 172 | V | 90.3 | Very high | 89.2 | Confident | 14 Ų | 14 | 38.6 Ų | 38.6 | 9% | 0.085 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65.2 | -41.6 | 179.6 | 171.9 | 0 | 0 | 0 | 0 | 111.4 | A150 R168 Q169 A175 I176 F599 | A150-V172 HydrophobicContact CB-CG2 3.85Å; R168-V172 HydrophobicContact CG-CG2 4.5Å; R168-V172 WeakPolarHBondContact O-CG2 3.24Å; R168-V172 PolarHBondContact O-N 3.18Å; Q169-V172 PolarHBondContact O-N 2.72Å; V172-A175 PolarHBondContact O-N 3.07Å; V172-I176 HydrophobicContact CG1-CD1 3.94Å; V172-I176 VanDerWaalsContact O-CG1 3.27Å; V172-I176 WeakPolarHBondContact O-CG1 3.36Å; V172-I176 PolarHBondContact O-N 3.34Å; V172-F599 HydrophobicContact CG1-CB 4.42Å; V172-F599 HydrophobicContact CG1-CD2 3.75Å; V172-F599 HydrophobicContact CG1-CE2 4.1Å; V172-F599 HydrophobicContact CG1-CG 4.09Å |
| 173 | E | 88.7 | Confident | 89.1 | Confident | 74 Ų | 74 | 37 Ų | 37 | 35% | 0.346 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -59.1 | -55.9 | 176.2 | 179.4 | 179.2 | -162.7 | 0 | 0 | 111.8 | Q169 A175 I176 I177 H592 | Q169-E173 WeakPolarHBondContact O-CB 3.46Å; Q169-E173 PolarHBondContact O-N 3.47Å; E173-A175 PolarHBondContact O-N 2.85Å; E173-I176 WeakPolarHBondContact O-CB 3.17Å; E173-I176 PolarHBondContact O-N 3.16Å; E173-I176 VanDerWaalsContact O-N 3.08Å; E173-I177 HydrophobicContact CG-CD1 3.9Å; E173-I177 WeakPolarHBondContact O-CG1 3.19Å; E173-I177 PolarHBondContact O-N 2.98Å; E173-H592 WeakPolarHBondContact CG-NE2 3.39Å; E173-H592 IonicContact OE1-CE1 3.69Å; E173-H592 IonicContact OE1-NE2 2.7Å; E173-H592 PolarHBondContact OE1-NE2 3.36Å; E173-H592 IonicContact OE2-CE1 3.7Å; E173-H592 PolarHBondContact OE2-CE1 2.98Å; E173-H592 VanDerWaalsContact OE2-CE1 3.22Å; E173-H592 IonicContact OE2-NE2 3.74Å |
| 174 | N | 92.2 | Very high | 88.8 | Confident | 13 Ų | 13 | 34.2 Ų | 34.2 | 7% | 0.07 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -65.7 | -29.5 | -177.9 | -74.7 | -84.2 | 0 | 0 | 0 | 112.1 | F170 T178 M204 | F170-N174 WeakPolarHBondContact CD2-ND2 3.45Å; F170-N174 VanDerWaalsContact CE2-ND2 3.29Å; F170-N174 WeakPolarHBondContact CE2-ND2 3.31Å; F170-N174 PolarHBondContact O-N 3.13Å; F170-N174 VanDerWaalsContact O-N 3.08Å; F170-N174 PolarHBondContact O-ND2 2.86Å; N174-T178 VanDerWaalsContact O-CB 3.27Å; N174-T178 WeakPolarHBondContact O-CB 3.2Å; N174-T178 PolarHBondContact O-N 3.2Å; N174-T178 PolarHBondContact O-OG1 2.76Å; N174-M204 HydrophobicContact CB-CB 4.44Å; N174-M204 HydrophobicContact CB-CE 3.45Å; N174-M204 VanDerWaalsContact CB-CE 3.45Å; N174-M204 HydrophobicContact CB-CG 4.42Å |
| 175 | A | 91.4 | Very high | 88.5 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -65 | -47.3 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | M143 I146 L171 V172 E173 I177 T178 N179 F599 | M143-A175 VanDerWaalsContact CE-C 3.45Å; M143-A175 HydrophobicContact CE-CB 3.56Å; M143-A175 WeakPolarHBondContact CE-O 3.25Å; M143-A175 HydrophobicContact SD-CB 3.71Å; I146-A175 HydrophobicContact CB-CB 4.45Å; I146-A175 HydrophobicContact CD1-CB 3.69Å; I146-A175 HydrophobicContact CG2-CB 3.97Å; L171-A175 WeakPolarHBondContact O-CB 3.24Å; L171-A175 PolarHBondContact O-N 2.92Å; V172-A175 PolarHBondContact O-N 3.07Å; E173-A175 PolarHBondContact O-N 2.85Å; A175-I177 VanDerWaalsContact C-N 3.31Å; A175-I177 PolarHBondContact O-N 2.79Å; A175-T178 PolarHBondContact O-N 2.96Å; A175-N179 WeakPolarHBondContact O-CB 3.27Å; A175-N179 PolarHBondContact O-N 3.31Å; A175-F599 HydrophobicContact CB-CE2 4.03Å; A175-F599 HydrophobicContact CB-CZ 3.85Å |
| 176 | I | 87.3 | Confident | 88.1 | Confident | 7 Ų | 7 | 34.6 Ų | 34.6 | 4% | 0.036 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -58.3 | -43.7 | 175.6 | -70.7 | 167.5 | 0 | 0 | 0 | 110.9 | V172 E173 N179 R180 Y588 L591 F599 F602 | V172-I176 HydrophobicContact CG1-CD1 3.94Å; V172-I176 VanDerWaalsContact O-CG1 3.27Å; V172-I176 WeakPolarHBondContact O-CG1 3.36Å; V172-I176 PolarHBondContact O-N 3.34Å; E173-I176 WeakPolarHBondContact O-CB 3.17Å; E173-I176 PolarHBondContact O-N 3.16Å; E173-I176 VanDerWaalsContact O-N 3.08Å; I176-N179 PolarHBondContact O-N 3.27Å; I176-R180 WeakPolarHBondContact O-CB 3.11Å; I176-R180 PolarHBondContact O-N 2.91Å; I176-Y588 HydrophobicContact CG2-CD1 3.84Å; I176-Y588 HydrophobicContact CG2-CE1 3.37Å; I176-L591 HydrophobicContact CD1-CB 4.31Å; I176-L591 HydrophobicContact CD1-CD2 4.38Å; I176-F599 HydrophobicContact CD1-CD2 4.05Å; I176-F599 HydrophobicContact CD1-CE2 4.48Å; I176-F599 HydrophobicContact CG1-CD2 3.71Å; I176-F599 HydrophobicContact CG1-CE2 3.74Å; I176-F602 HydrophobicContact CG1-CE1 4.28Å; I176-F602 HydrophobicContact CG2-CE1 4.36Å; I176-F602 HydrophobicContact CG2-CZ 4.49Å |
| 177 | I | 88.8 | Confident | 87.5 | Confident | 43 Ų | 43 | 34.8 Ų | 34.8 | 22% | 0.221 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -65.5 | -49.5 | 179.3 | -64.1 | 166.6 | 0 | 0 | 0 | 110.8 | E173 A175 N179 R180 L181 Y200 | E173-I177 HydrophobicContact CG-CD1 3.9Å; E173-I177 WeakPolarHBondContact O-CG1 3.19Å; E173-I177 PolarHBondContact O-N 2.98Å; A175-I177 VanDerWaalsContact C-N 3.31Å; A175-I177 PolarHBondContact O-N 2.79Å; I177-N179 VanDerWaalsContact C-N 3.3Å; I177-N179 PolarHBondContact O-N 2.79Å; I177-R180 WeakPolarHBondContact O-CB 3.05Å; I177-R180 PolarHBondContact O-N 2.76Å; I177-R180 VanDerWaalsContact O-N 3.1Å; I177-L181 HydrophobicContact CG2-CD1 3.99Å; I177-L181 HydrophobicContact CG2-CG 4.37Å; I177-L181 WeakPolarHBondContact O-CG 3.44Å; I177-L181 PolarHBondContact O-N 3.07Å; I177-Y200 HydrophobicContact CB-CD1 4.43Å; I177-Y200 HydrophobicContact CD1-CD1 4.13Å; I177-Y200 HydrophobicContact CD1-CE1 4.02Å; I177-Y200 HydrophobicContact CG2-CD1 3.76Å; I177-Y200 HydrophobicContact CG2-CD2 3.83Å; I177-Y200 HydrophobicContact CG2-CE1 3.79Å; I177-Y200 HydrophobicContact CG2-CE2 3.85Å; I177-Y200 HydrophobicContact CG2-CG 3.78Å |
| 178 | T | 90.7 | Very high | 87 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -51.5 | -49.4 | 174.4 | -64.8 | 0 | 0 | 0 | 0 | 111.6 | I139 L142 N174 A175 R180 L181 S182 I197 I201 | I139-T178 HydrophobicContact CD1-CG2 4.31Å; I139-T178 HydrophobicContact CG1-CG2 4.15Å; I139-T178 HydrophobicContact CG2-CG2 4.02Å; L142-T178 HydrophobicContact CD2-CG2 4.33Å; N174-T178 VanDerWaalsContact O-CB 3.27Å; N174-T178 WeakPolarHBondContact O-CB 3.2Å; N174-T178 PolarHBondContact O-N 3.2Å; N174-T178 PolarHBondContact O-OG1 2.76Å; A175-T178 PolarHBondContact O-N 2.96Å; T178-R180 VanDerWaalsContact C-N 3.32Å; T178-R180 PolarHBondContact O-N 3.28Å; T178-L181 PolarHBondContact O-N 3.1Å; T178-S182 PolarHBondContact O-N 3.12Å; T178-I197 HydrophobicContact CG2-CG2 3.86Å; T178-I201 HydrophobicContact CG2-CD1 3.97Å; T178-I201 HydrophobicContact CG2-CG1 4.34Å; T178-I201 VanDerWaalsContact OG1-CD1 3.26Å; T178-I201 WeakPolarHBondContact OG1-CD1 3.5Å |
| 179 | N | 87 | Confident | 86.4 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.8 | -36.7 | -179.2 | -167.8 | 57.5 | 0 | 0 | 0 | 112.5 | M143 A175 I176 I177 S182 Q183 L607 | M143-N179 HydrophobicContact CE-CB 3.84Å; M143-N179 HydrophobicContact SD-CB 4.05Å; A175-N179 WeakPolarHBondContact O-CB 3.27Å; A175-N179 PolarHBondContact O-N 3.31Å; I176-N179 PolarHBondContact O-N 3.27Å; I177-N179 VanDerWaalsContact C-N 3.3Å; I177-N179 PolarHBondContact O-N 2.79Å; N179-S182 PolarHBondContact O-OG 3.18Å; N179-Q183 WeakPolarHBondContact O-CG 3.48Å; N179-Q183 PolarHBondContact O-N 3.16Å; N179-Q183 VanDerWaalsContact O-N 3.16Å; N179-L607 WeakPolarHBondContact OD1-CD1 3.29Å |
| 180 | R | 83.4 | Confident | 85.9 | Confident | 81 Ų | 81 | 43 Ų | 43 | 31% | 0.306 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -68.6 | -43.5 | 175.9 | 177.1 | -179.1 | 165.3 | -165.5 | -10.6 | 112 | I176 I177 T178 S182 Q183 Q184 | I176-R180 WeakPolarHBondContact O-CB 3.11Å; I176-R180 PolarHBondContact O-N 2.91Å; I177-R180 WeakPolarHBondContact O-CB 3.05Å; I177-R180 PolarHBondContact O-N 2.76Å; I177-R180 VanDerWaalsContact O-N 3.1Å; T178-R180 VanDerWaalsContact C-N 3.32Å; T178-R180 PolarHBondContact O-N 3.28Å; R180-S182 VanDerWaalsContact C-N 3.34Å; R180-Q183 PolarHBondContact O-N 3.42Å; R180-Q184 PolarHBondContact O-N 2.86Å |
| 181 | L | 86.6 | Confident | 85.3 | Confident | 18 Ų | 18 | 42.1 Ų | 42.1 | 9% | 0.094 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.8 | -38.3 | 177.7 | -70.3 | 173.5 | 0 | 0 | 0 | 111.4 | I177 T178 Q183 Q184 A185 E196 I197 Y200 | I177-L181 HydrophobicContact CG2-CD1 3.99Å; I177-L181 HydrophobicContact CG2-CG 4.37Å; I177-L181 WeakPolarHBondContact O-CG 3.44Å; I177-L181 PolarHBondContact O-N 3.07Å; T178-L181 PolarHBondContact O-N 3.1Å; L181-Q183 PolarHBondContact O-N 3.1Å; L181-Q184 WeakPolarHBondContact O-CB 3.44Å; L181-Q184 PolarHBondContact O-N 3.07Å; L181-Q184 VanDerWaalsContact O-N 3.16Å; L181-A185 PolarHBondContact O-N 2.8Å; L181-E196 HydrophobicContact CD1-CB 4.32Å; L181-E196 HydrophobicContact CD2-CB 4.47Å; L181-I197 HydrophobicContact CB-CD1 4.23Å; L181-I197 HydrophobicContact CB-CG1 3.69Å; L181-I197 HydrophobicContact CD1-CG1 4.24Å; L181-Y200 HydrophobicContact CD1-CD2 3.63Å; L181-Y200 HydrophobicContact CD1-CE2 3.73Å |
| 182 | S | 87.8 | Confident | 84.6 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.2 | -39.8 | 174.3 | 82 | 0 | 0 | 0 | 0 | 112.5 | T178 N179 R180 A185 I186 | T178-S182 PolarHBondContact O-N 3.12Å; N179-S182 PolarHBondContact O-OG 3.18Å; R180-S182 VanDerWaalsContact C-N 3.34Å; S182-A185 PolarHBondContact O-N 3.21Å; S182-I186 VanDerWaalsContact O-CG1 3.29Å; S182-I186 WeakPolarHBondContact O-CG1 3.49Å; S182-I186 PolarHBondContact O-N 3.06Å; S182-I186 VanDerWaalsContact O-N 3.1Å |
| 183 | Q | 82.6 | Confident | 84.3 | Confident | 71 Ų | 71 | 47 Ų | 47 | 33% | 0.332 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -64.1 | -38.2 | 171.5 | -73.4 | -176.9 | -11.1 | 0 | 0 | 112.4 | N179 R180 L181 S187 G606 L607 | N179-Q183 WeakPolarHBondContact O-CG 3.48Å; N179-Q183 PolarHBondContact O-N 3.16Å; N179-Q183 VanDerWaalsContact O-N 3.16Å; R180-Q183 PolarHBondContact O-N 3.42Å; L181-Q183 PolarHBondContact O-N 3.1Å; Q183-S187 WeakPolarHBondContact O-CB 3.48Å; Q183-S187 PolarHBondContact O-N 3.46Å; Q183-S187 PolarHBondContact O-OG 2.73Å; Q183-G606 PolarHBondContact NE2-O 3.44Å; Q183-G606 VanDerWaalsContact NE2-O 3.08Å; Q183-L607 HydrophobicContact CG-CD1 4.26Å |
| 184 | Q | 80.7 | Confident | 84.3 | Confident | 66 Ų | 66 | 43.8 Ų | 43.8 | 31% | 0.308 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -62.6 | -48.9 | 175.3 | -172.9 | 173.6 | -54.5 | 0 | 0 | 111 | R180 L181 I186 S187 A188 | R180-Q184 PolarHBondContact O-N 2.86Å; L181-Q184 WeakPolarHBondContact O-CB 3.44Å; L181-Q184 PolarHBondContact O-N 3.07Å; L181-Q184 VanDerWaalsContact O-N 3.16Å; Q184-I186 PolarHBondContact O-N 3.4Å; Q184-S187 WeakPolarHBondContact CA-OG 3.5Å; Q184-S187 PolarHBondContact O-N 3Å; Q184-S187 PolarHBondContact O-OG 2.92Å; Q184-A188 WeakPolarHBondContact O-CB 3.14Å; Q184-A188 PolarHBondContact O-N 3.11Å |
| 185 | A | 81.3 | Confident | 84.2 | Confident | 2 Ų | 2 | 48 Ų | 48 | 2% | 0.017 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -55.8 | -47.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L181 S182 S187 Q189 H193 F194 | L181-A185 PolarHBondContact O-N 2.8Å; S182-A185 PolarHBondContact O-N 3.21Å; A185-S187 PolarHBondContact O-N 3.09Å; A185-Q189 PolarHBondContact O-N 3.49Å; A185-Q189 VanDerWaalsContact O-N 3.1Å; A185-H193 HydrophobicContact CB-CB 3.68Å; A185-F194 HydrophobicContact CB-CD1 4.11Å; A185-F194 HydrophobicContact CB-CD2 4.05Å; A185-F194 HydrophobicContact CB-CE1 3.99Å; A185-F194 HydrophobicContact CB-CE2 3.93Å; A185-F194 HydrophobicContact CB-CG 4.14Å; A185-F194 HydrophobicContact CB-CZ 3.9Å |
| 186 | I | 80.1 | Confident | 84.2 | Confident | 84 Ų | 84 | 51.7 Ų | 51.7 | 43% | 0.431 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -58.7 | -48 | 173.4 | -64 | 162.4 | 0 | 0 | 0 | 110.9 | L136 S182 Q184 A188 Q189 | L136-I186 HydrophobicContact CD1-CD1 3.72Å; L136-I186 HydrophobicContact CD1-CG1 3.92Å; L136-I186 HydrophobicContact CD2-CD1 3.76Å; L136-I186 HydrophobicContact CD2-CG1 4.21Å; L136-I186 HydrophobicContact CG-CD1 4.41Å; S182-I186 VanDerWaalsContact O-CG1 3.29Å; S182-I186 WeakPolarHBondContact O-CG1 3.49Å; S182-I186 PolarHBondContact O-N 3.06Å; S182-I186 VanDerWaalsContact O-N 3.1Å; Q184-I186 PolarHBondContact O-N 3.4Å; I186-A188 VanDerWaalsContact C-N 3.34Å; I186-A188 PolarHBondContact O-N 3.42Å; I186-Q189 PolarHBondContact O-N 2.87Å |
| 187 | S | 77.5 | Confident | 84.4 | Confident | 94 Ų | 94 | 51.3 Ų | 51.3 | 66% | 0.657 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -69.3 | -30.2 | -173.8 | 71.8 | 0 | 0 | 0 | 0 | 113.9 | Q183 Q184 A185 | Q183-S187 WeakPolarHBondContact O-CB 3.48Å; Q183-S187 PolarHBondContact O-N 3.46Å; Q183-S187 PolarHBondContact O-OG 2.73Å; Q184-S187 WeakPolarHBondContact CA-OG 3.5Å; Q184-S187 PolarHBondContact O-N 3Å; Q184-S187 PolarHBondContact O-OG 2.92Å; A185-S187 PolarHBondContact O-N 3.09Å |
| 188 | A | 81.2 | Confident | 84.7 | Confident | 50 Ų | 50 | 50.7 Ų | 50.7 | 41% | 0.413 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -91.4 | -7.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q184 I186 C190 | Q184-A188 WeakPolarHBondContact O-CB 3.14Å; Q184-A188 PolarHBondContact O-N 3.11Å; I186-A188 VanDerWaalsContact C-N 3.34Å; I186-A188 PolarHBondContact O-N 3.42Å; A188-C190 HydrophobicContact CB-CB 4.41Å; A188-C190 PolarHBondContact O-N 2.95Å; A188-C190 VanDerWaalsContact O-N 3.09Å |
| 189 | Q | 78.8 | Confident | 84.8 | Confident | 179 Ų | 179 | 56.4 Ų | 56.4 | 84% | 0.836 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.8 | 30.7 | -176.1 | -57.9 | -176 | -0.7 | 0 | 0 | 113.7 | A185 I186 | A185-Q189 PolarHBondContact O-N 3.49Å; A185-Q189 VanDerWaalsContact O-N 3.1Å; I186-Q189 PolarHBondContact O-N 2.87Å |
| 190 | C | 79.8 | Confident | 85.1 | Confident | 54 Ų | 54 | 60.9 Ų | 60.9 | 37% | 0.365 | 31% | 0.308 | S | S | . | . | trans | -125.6 | 113.1 | -172.9 | 168.4 | 0 | 0 | 0 | 0 | 109.9 | A188 E192 H193 | A188-C190 HydrophobicContact CB-CB 4.41Å; A188-C190 PolarHBondContact O-N 2.95Å; A188-C190 VanDerWaalsContact O-N 3.09Å; C190-E192 VanDerWaalsContact C-N 3.35Å; C190-E192 PolarHBondContact O-N 2.9Å; C190-H193 WeakPolarHBondContact CB-ND1 3.3Å; C190-H193 PolarHBondContact O-N 3.47Å; C190-H193 PolarHBondContact O-ND1 3.33Å; C190-H193 VanDerWaalsContact O-ND1 3.08Å | ||
| 191 | N | 80.7 | Confident | 85.7 | Confident | 35 Ų | 35 | 57 Ų | 57 | 19% | 0.187 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -66.3 | -29.8 | -170.1 | -67.9 | -34.2 | 0 | 0 | 0 | 114 | L108 M109 I128 H193 F194 | L108-N191 HydrophobicContact CD2-CB 4.18Å; L108-N191 HydrophobicContact CG-CB 4.46Å; M109-N191 HydrophobicContact CE-CB 4.37Å; M109-N191 WeakPolarHBondContact CE-O 3.26Å; I128-N191 WeakPolarHBondContact CG2-ND2 3.46Å; N191-H193 PolarHBondContact O-N 3.44Å; N191-H193 VanDerWaalsContact O-N 3.14Å; N191-F194 WeakPolarHBondContact O-CB 3.3Å; N191-F194 PolarHBondContact O-N 3.3Å |
| 192 | E | 80.4 | Confident | 86.2 | Confident | 76 Ų | 76 | 59 Ų | 59 | 36% | 0.355 | 30% | 0.303 | S | S | . | . | G | 310 helix | trans | -60.5 | -24.4 | 179.2 | -71 | -64.7 | 122.6 | 0 | 0 | 112.4 | M109 C190 F194 K195 | M109-E192 VanDerWaalsContact SD-OE1 3.33Å; C190-E192 VanDerWaalsContact C-N 3.35Å; C190-E192 PolarHBondContact O-N 2.9Å; E192-F194 PolarHBondContact O-N 3.37Å; E192-K195 WeakPolarHBondContact O-CB 3.31Å; E192-K195 PolarHBondContact O-N 2.83Å; E192-K195 WeakPolarHBondContact OE2-CD 3.48Å; E192-K195 IonicContact OE2-NZ 3.11Å; E192-K195 PolarHBondContact OE2-NZ 3.3Å; E192-K195 VanDerWaalsContact OE2-NZ 3.11Å |
| 193 | H | 84.2 | Confident | 86.5 | Confident | 40 Ų | 40 | 62 Ų | 62 | 19% | 0.185 | 32% | 0.322 | C | S | . | . | G | 310 helix | trans | -63.3 | -22.7 | 172.7 | -64.7 | 107.9 | 0 | 0 | 0 | 113.5 | A185 C190 N191 K195 E196 | A185-H193 HydrophobicContact CB-CB 3.68Å; C190-H193 WeakPolarHBondContact CB-ND1 3.3Å; C190-H193 PolarHBondContact O-N 3.47Å; C190-H193 PolarHBondContact O-ND1 3.33Å; C190-H193 VanDerWaalsContact O-ND1 3.08Å; N191-H193 PolarHBondContact O-N 3.44Å; N191-H193 VanDerWaalsContact O-N 3.14Å; H193-K195 PolarHBondContact O-N 3.06Å; H193-E196 IonicContact CD2-OE1 3.27Å; H193-E196 PolarHBondContact CD2-OE1 3.33Å; H193-E196 PolarHBondContact O-N 2.84Å |
| 194 | F | 88 | Confident | 87.2 | Confident | 6 Ų | 6 | 58.6 Ų | 58.6 | 3% | 0.026 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -66.4 | -23.3 | 171.8 | -74.2 | -69.8 | 0 | 0 | 0 | 111.9 | I105 L108 A132 I135 L136 A185 N191 E192 I197 | I105-F194 WeakPolarHBondContact CD1-O 3.48Å; I105-F194 HydrophobicContact CG1-CB 4.39Å; I105-F194 HydrophobicContact CG2-CB 4.33Å; L108-F194 HydrophobicContact CD2-CB 4.36Å; L108-F194 HydrophobicContact CD2-CD2 3.61Å; L108-F194 HydrophobicContact CD2-CE2 4.21Å; L108-F194 HydrophobicContact CD2-CG 4.21Å; A132-F194 HydrophobicContact CB-CE2 4.1Å; A132-F194 HydrophobicContact CB-CZ 4.37Å; I135-F194 HydrophobicContact CG2-CD1 3.73Å; I135-F194 HydrophobicContact CG2-CE1 3.91Å; L136-F194 HydrophobicContact CD2-CE1 3.99Å; L136-F194 HydrophobicContact CD2-CZ 4.32Å; L136-F194 HydrophobicContact CG-CE1 4.41Å; L136-F194 HydrophobicContact CG-CZ 4.43Å; A185-F194 HydrophobicContact CB-CD1 4.11Å; A185-F194 HydrophobicContact CB-CD2 4.05Å; A185-F194 HydrophobicContact CB-CE1 3.99Å; A185-F194 HydrophobicContact CB-CE2 3.93Å; A185-F194 HydrophobicContact CB-CG 4.14Å; A185-F194 HydrophobicContact CB-CZ 3.9Å; N191-F194 WeakPolarHBondContact O-CB 3.3Å; N191-F194 PolarHBondContact O-N 3.3Å; E192-F194 PolarHBondContact O-N 3.37Å; F194-I197 HydrophobicContact CD1-CD1 3.93Å; F194-I197 VanDerWaalsContact O-CB 3.29Å; F194-I197 WeakPolarHBondContact O-CB 3.48Å; F194-I197 PolarHBondContact O-N 3.01Å |
| 195 | K | 90.3 | Very high | 87.9 | Confident | 103 Ų | 103 | 57.4 Ų | 57.4 | 45% | 0.448 | 30% | 0.299 | S | S | . | . | G | 310 helix | trans | -69.7 | -36.8 | 178.1 | -162.8 | -178.1 | -177.9 | 179.4 | 0 | 112.4 | M109 E192 H193 I197 I198 | M109-K195 HydrophobicContact SD-CB 3.95Å; M109-K195 HydrophobicContact SD-CD 3.96Å; M109-K195 HydrophobicContact SD-CG 4.15Å; E192-K195 WeakPolarHBondContact O-CB 3.31Å; E192-K195 PolarHBondContact O-N 2.83Å; E192-K195 WeakPolarHBondContact OE2-CD 3.48Å; E192-K195 IonicContact OE2-NZ 3.11Å; E192-K195 PolarHBondContact OE2-NZ 3.3Å; E192-K195 VanDerWaalsContact OE2-NZ 3.11Å; H193-K195 PolarHBondContact O-N 3.06Å; K195-I197 PolarHBondContact O-N 3.48Å; K195-I197 VanDerWaalsContact O-N 3.07Å; K195-I198 WeakPolarHBondContact O-CB 3.39Å; K195-I198 PolarHBondContact O-N 3.35Å |
| 196 | E | 90.5 | Very high | 88.6 | Confident | 76 Ų | 76 | 61.6 Ų | 61.6 | 36% | 0.355 | 32% | 0.32 | S | S | . | . | G | 310 helix | trans | -57.1 | -22.2 | 174.2 | -60.6 | 176.2 | -159.7 | 0 | 0 | 112.3 | L181 H193 I198 Y200 | L181-E196 HydrophobicContact CD1-CB 4.32Å; L181-E196 HydrophobicContact CD2-CB 4.47Å; H193-E196 IonicContact CD2-OE1 3.27Å; H193-E196 PolarHBondContact CD2-OE1 3.33Å; H193-E196 PolarHBondContact O-N 2.84Å; E196-I198 VanDerWaalsContact C-N 3.32Å; E196-Y200 WeakPolarHBondContact O-CD2 3.11Å |
| 197 | I | 92.8 | Very high | 89.3 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 32% | 0.319 | C | S | . | . | G | 310 helix | trans | -69.6 | -29.8 | 176.8 | -58.6 | -179.2 | 0 | 0 | 0 | 111.6 | I101 I105 I139 T178 L181 F194 K195 D199 Y200 I201 | I101-I197 HydrophobicContact CG2-CG2 4.26Å; I105-I197 HydrophobicContact CD1-CB 4.04Å; I105-I197 HydrophobicContact CD1-CG2 4.17Å; I139-I197 HydrophobicContact CD1-CD1 3.79Å; T178-I197 HydrophobicContact CG2-CG2 3.86Å; L181-I197 HydrophobicContact CB-CD1 4.23Å; L181-I197 HydrophobicContact CB-CG1 3.69Å; L181-I197 HydrophobicContact CD1-CG1 4.24Å; F194-I197 HydrophobicContact CD1-CD1 3.93Å; F194-I197 VanDerWaalsContact O-CB 3.29Å; F194-I197 WeakPolarHBondContact O-CB 3.48Å; F194-I197 PolarHBondContact O-N 3.01Å; K195-I197 PolarHBondContact O-N 3.48Å; K195-I197 VanDerWaalsContact O-N 3.07Å; I197-D199 VanDerWaalsContact C-N 3.27Å; I197-D199 PolarHBondContact O-N 2.98Å; I197-Y200 PolarHBondContact O-N 2.89Å; I197-I201 HydrophobicContact CG2-CG1 3.57Å; I197-I201 WeakPolarHBondContact O-CB 3.24Å; I197-I201 WeakPolarHBondContact O-CG1 3.5Å; I197-I201 PolarHBondContact O-N 3.22Å |
| 198 | I | 94.8 | Very high | 90.1 | Very high | 30 Ų | 30 | 58.4 Ų | 58.4 | 15% | 0.154 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.9 | -38.1 | 179.5 | -61 | -180 | 0 | 0 | 0 | 110.5 | I105 K195 E196 Y200 I201 E202 | I105-I198 HydrophobicContact CB-CD1 4.18Å; I105-I198 HydrophobicContact CB-CG1 4.36Å; I105-I198 HydrophobicContact CD1-CG1 3.91Å; I105-I198 HydrophobicContact CG2-CD1 3.74Å; I105-I198 HydrophobicContact CG2-CG1 4.09Å; K195-I198 WeakPolarHBondContact O-CB 3.39Å; K195-I198 PolarHBondContact O-N 3.35Å; E196-I198 VanDerWaalsContact C-N 3.32Å; I198-Y200 PolarHBondContact O-N 3.33Å; I198-Y200 VanDerWaalsContact O-N 3.07Å; I198-I201 PolarHBondContact O-N 2.81Å; I198-E202 HydrophobicContact CG2-CB 4.29Å; I198-E202 VanDerWaalsContact O-CB 3.3Å; I198-E202 WeakPolarHBondContact O-CB 3.35Å; I198-E202 PolarHBondContact O-N 2.65Å |
| 199 | D | 92.8 | Very high | 90.7 | Very high | 120 Ų | 120 | 58.2 Ų | 58.2 | 64% | 0.642 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -62.9 | -17.9 | -178.6 | -61.2 | -32.8 | 0 | 0 | 0 | 113.5 | I197 P203 | I197-D199 VanDerWaalsContact C-N 3.27Å; I197-D199 PolarHBondContact O-N 2.98Å; D199-P203 VanDerWaalsContact O-CD 3.28Å; D199-P203 WeakPolarHBondContact O-CD 3.49Å; D199-P203 VanDerWaalsContact O-CG 3.31Å; D199-P203 WeakPolarHBondContact O-CG 3.45Å |
| 200 | Y | 93.5 | Very high | 91.3 | Very high | 93 Ų | 93 | 52.5 Ų | 52.5 | 37% | 0.365 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -106 | -35.1 | 174.5 | -63.5 | -82.5 | 0 | 0 | 0 | 112.9 | I177 L181 E196 I197 I198 M204 | I177-Y200 HydrophobicContact CB-CD1 4.43Å; I177-Y200 HydrophobicContact CD1-CD1 4.13Å; I177-Y200 HydrophobicContact CD1-CE1 4.02Å; I177-Y200 HydrophobicContact CG2-CD1 3.76Å; I177-Y200 HydrophobicContact CG2-CD2 3.83Å; I177-Y200 HydrophobicContact CG2-CE1 3.79Å; I177-Y200 HydrophobicContact CG2-CE2 3.85Å; I177-Y200 HydrophobicContact CG2-CG 3.78Å; L181-Y200 HydrophobicContact CD1-CD2 3.63Å; L181-Y200 HydrophobicContact CD1-CE2 3.73Å; E196-Y200 WeakPolarHBondContact O-CD2 3.11Å; I197-Y200 PolarHBondContact O-N 2.89Å; I198-Y200 PolarHBondContact O-N 3.33Å; I198-Y200 VanDerWaalsContact O-N 3.07Å; Y200-M204 WeakPolarHBondContact O-CB 3.48Å; Y200-M204 PolarHBondContact O-N 2.95Å |
| 201 | I | 95.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -75.2 | -34.8 | -179.5 | -69.3 | -59.5 | 0 | 0 | 0 | 112.7 | C98 I101 I102 L142 T178 I197 I198 M204 R205 | C98-I201 HydrophobicContact CB-CG2 3.57Å; I101-I201 HydrophobicContact CG2-CG1 4.32Å; I101-I201 HydrophobicContact CG2-CG2 4.44Å; I102-I201 HydrophobicContact CD1-CG2 3.84Å; I102-I201 HydrophobicContact CG1-CG2 3.74Å; L142-I201 HydrophobicContact CD2-CD1 3.36Å; T178-I201 HydrophobicContact CG2-CD1 3.97Å; T178-I201 HydrophobicContact CG2-CG1 4.34Å; T178-I201 VanDerWaalsContact OG1-CD1 3.26Å; T178-I201 WeakPolarHBondContact OG1-CD1 3.5Å; I197-I201 HydrophobicContact CG2-CG1 3.57Å; I197-I201 WeakPolarHBondContact O-CB 3.24Å; I197-I201 WeakPolarHBondContact O-CG1 3.5Å; I197-I201 PolarHBondContact O-N 3.22Å; I198-I201 PolarHBondContact O-N 2.81Å; I201-M204 HydrophobicContact CD1-CE 3.93Å; I201-M204 PolarHBondContact O-N 2.78Å; I201-R205 PolarHBondContact O-N 2.87Å |
| 202 | E | 95.9 | Very high | 92.1 | Very high | 60 Ų | 60 | 50.5 Ų | 50.5 | 28% | 0.28 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -66.5 | -50.2 | 178 | -174.9 | 68.3 | -150.8 | 0 | 0 | 111.5 | I102 I198 M204 R205 I206 | I102-E202 WeakPolarHBondContact CD1-OE2 3.03Å; I198-E202 HydrophobicContact CG2-CB 4.29Å; I198-E202 VanDerWaalsContact O-CB 3.3Å; I198-E202 WeakPolarHBondContact O-CB 3.35Å; I198-E202 PolarHBondContact O-N 2.65Å; E202-M204 VanDerWaalsContact C-N 3.3Å; E202-M204 PolarHBondContact O-N 3.27Å; E202-R205 PolarHBondContact O-N 2.84Å; E202-R205 IonicContact OE1-CZ 2.87Å; E202-R205 VanDerWaalsContact OE1-CZ 3.23Å; E202-R205 IonicContact OE1-NH1 2.72Å; E202-R205 PolarHBondContact OE1-NH1 2.89Å; E202-R205 IonicContact OE1-NH2 3.19Å; E202-R205 PolarHBondContact OE1-NH2 3.46Å; E202-R205 IonicContact OE2-CZ 2.93Å; E202-R205 IonicContact OE2-NH1 3.22Å; E202-R205 PolarHBondContact OE2-NH1 3Å; E202-R205 IonicContact OE2-NH2 2.83Å; E202-I206 HydrophobicContact CG-CD1 4.1Å; E202-I206 WeakPolarHBondContact O-CG1 3.28Å; E202-I206 PolarHBondContact O-N 2.82Å |
| 203 | P | 95.6 | Very high | 92.4 | Very high | 62 Ų | 62 | 54.2 Ų | 54.2 | 40% | 0.403 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -61.3 | -35.3 | 171.7 | -23.8 | 35.5 | 0 | 0 | 0 | 113.4 | D199 R207 | D199-P203 VanDerWaalsContact O-CD 3.28Å; D199-P203 WeakPolarHBondContact O-CD 3.49Å; D199-P203 VanDerWaalsContact O-CG 3.31Å; D199-P203 WeakPolarHBondContact O-CG 3.45Å; P203-R207 WeakPolarHBondContact O-CB 3.26Å; P203-R207 PolarHBondContact O-N 3.39Å |
| 204 | M | 95.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.5 | -45.2 | 175.5 | -168.1 | -151 | -71.2 | 0 | 0 | 111.4 | V94 L142 I146 F170 L171 N174 Y200 I201 E202 R207 V208 | V94-M204 HydrophobicContact CG1-SD 4.2Å; L142-M204 HydrophobicContact CD1-SD 4.39Å; L142-M204 HydrophobicContact CD2-CE 4.23Å; I146-M204 HydrophobicContact CD1-CE 3.58Å; I146-M204 HydrophobicContact CD1-SD 3.53Å; I146-M204 VanDerWaalsContact CD1-SD 3.53Å; F170-M204 HydrophobicContact CE1-CB 4.35Å; F170-M204 HydrophobicContact CE1-CG 4.1Å; F170-M204 HydrophobicContact CZ-CB 4.45Å; L171-M204 HydrophobicContact CD2-CG 3.9Å; L171-M204 HydrophobicContact CD2-SD 4.28Å; N174-M204 HydrophobicContact CB-CB 4.44Å; N174-M204 HydrophobicContact CB-CE 3.45Å; N174-M204 VanDerWaalsContact CB-CE 3.45Å; N174-M204 HydrophobicContact CB-CG 4.42Å; Y200-M204 WeakPolarHBondContact O-CB 3.48Å; Y200-M204 PolarHBondContact O-N 2.95Å; I201-M204 HydrophobicContact CD1-CE 3.93Å; I201-M204 PolarHBondContact O-N 2.78Å; E202-M204 VanDerWaalsContact C-N 3.3Å; E202-M204 PolarHBondContact O-N 3.27Å; M204-R207 PolarHBondContact O-N 3.39Å; M204-V208 VanDerWaalsContact O-CG2 3.31Å; M204-V208 WeakPolarHBondContact O-CG2 3.48Å; M204-V208 PolarHBondContact O-N 3.13Å |
| 205 | R | 96.5 | Very high | 91.5 | Very high | 41 Ų | 41 | 60 Ų | 60 | 16% | 0.155 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.7 | -49.1 | 177.4 | -161.1 | -159.9 | 68 | -111.3 | -12.5 | 110.9 | C98 T99 I201 E202 R207 V208 E209 | C98-R205 HydrophobicContact CB-CB 3.75Å; C98-R205 HydrophobicContact CB-CG 3.84Å; T99-R205 WeakPolarHBondContact OG1-CD 3.5Å; I201-R205 PolarHBondContact O-N 2.87Å; E202-R205 PolarHBondContact O-N 2.84Å; E202-R205 IonicContact OE1-CZ 2.87Å; E202-R205 VanDerWaalsContact OE1-CZ 3.23Å; E202-R205 IonicContact OE1-NH1 2.72Å; E202-R205 PolarHBondContact OE1-NH1 2.89Å; E202-R205 IonicContact OE1-NH2 3.19Å; E202-R205 PolarHBondContact OE1-NH2 3.46Å; E202-R205 IonicContact OE2-CZ 2.93Å; E202-R205 IonicContact OE2-NH1 3.22Å; E202-R205 PolarHBondContact OE2-NH1 3Å; E202-R205 IonicContact OE2-NH2 2.83Å; R205-R207 VanDerWaalsContact C-N 3.32Å; R205-R207 PolarHBondContact O-N 2.74Å; R205-V208 PolarHBondContact O-N 2.72Å; R205-V208 VanDerWaalsContact O-N 3.14Å; R205-E209 WeakPolarHBondContact CD-OE1 3.42Å; R205-E209 VanDerWaalsContact CG-OE1 3.22Å; R205-E209 WeakPolarHBondContact CG-OE1 3.27Å; R205-E209 IonicContact CZ-OE2 2.65Å; R205-E209 IonicContact NE-OE1 3.52Å; R205-E209 PolarHBondContact NE-OE1 3.06Å; R205-E209 IonicContact NE-OE2 3.52Å; R205-E209 PolarHBondContact NE-OE2 3.45Å; R205-E209 IonicContact NH2-OE2 2.74Å; R205-E209 WeakPolarHBondContact O-CB 2.99Å; R205-E209 WeakPolarHBondContact O-CG 3.24Å; R205-E209 PolarHBondContact O-N 2.83Å |
| 206 | I | 96 | Very high | 90.2 | Very high | 90 Ų | 90 | 59.2 Ų | 59.2 | 46% | 0.462 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -58.1 | -43.6 | 179.2 | -66.3 | 165.4 | 0 | 0 | 0 | 110.8 | E202 V208 E209 D210 | E202-I206 HydrophobicContact CG-CD1 4.1Å; E202-I206 WeakPolarHBondContact O-CG1 3.28Å; E202-I206 PolarHBondContact O-N 2.82Å; I206-V208 PolarHBondContact O-N 2.84Å; I206-E209 PolarHBondContact O-N 3.35Å; I206-D210 VanDerWaalsContact O-CB 3.3Å; I206-D210 WeakPolarHBondContact O-CB 3.19Å; I206-D210 PolarHBondContact O-N 2.81Å |
| 207 | R | 94.8 | Very high | 89.2 | Confident | 111 Ų | 111 | 59.1 Ų | 59.1 | 42% | 0.419 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -68.1 | -33.1 | 178.4 | -164.7 | 71.7 | -163.7 | -134.5 | 7.2 | 113.3 | F167 F170 P203 M204 R205 D210 V211 | F167-R207 HydrophobicContact CD2-CG 4.19Å; F167-R207 HydrophobicContact CE2-CG 4.09Å; F170-R207 HydrophobicContact CD1-CB 4.38Å; F170-R207 HydrophobicContact CD1-CG 4.1Å; F170-R207 HydrophobicContact CE1-CB 3.55Å; F170-R207 HydrophobicContact CE1-CG 3.74Å; F170-R207 HydrophobicContact CZ-CB 3.8Å; F170-R207 HydrophobicContact CZ-CG 4.14Å; P203-R207 WeakPolarHBondContact O-CB 3.26Å; P203-R207 PolarHBondContact O-N 3.39Å; M204-R207 PolarHBondContact O-N 3.39Å; R205-R207 VanDerWaalsContact C-N 3.32Å; R205-R207 PolarHBondContact O-N 2.74Å; R207-D210 IonicContact NE-OD2 3.63Å; R207-V211 WeakPolarHBondContact O-CG2 3.45Å; R207-V211 PolarHBondContact O-N 3.45Å |
| 208 | V | 94.6 | Very high | 88.3 | Confident | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -69.2 | -40.4 | 173.2 | 170.2 | 0 | 0 | 0 | 0 | 110.9 | L91 V94 F167 L171 M204 R205 I206 L212 | L91-V208 HydrophobicContact CB-CG1 4.12Å; L91-V208 WeakPolarHBondContact O-CG1 3.46Å; V94-V208 HydrophobicContact CG1-CG2 4.01Å; F167-V208 HydrophobicContact CE2-CG2 4.28Å; F167-V208 HydrophobicContact CZ-CG2 4.05Å; L171-V208 HydrophobicContact CD2-CG2 3.63Å; M204-V208 VanDerWaalsContact O-CG2 3.31Å; M204-V208 WeakPolarHBondContact O-CG2 3.48Å; M204-V208 PolarHBondContact O-N 3.13Å; R205-V208 PolarHBondContact O-N 2.72Å; R205-V208 VanDerWaalsContact O-N 3.14Å; I206-V208 PolarHBondContact O-N 2.84Å; V208-L212 HydrophobicContact CG1-CD1 3.9Å; V208-L212 WeakPolarHBondContact O-CB 3.39Å; V208-L212 WeakPolarHBondContact O-CD1 3.34Å; V208-L212 VanDerWaalsContact O-CG 3.24Å; V208-L212 WeakPolarHBondContact O-CG 3.3Å; V208-L212 PolarHBondContact O-N 3.27Å |
| 209 | E | 93.1 | Very high | 87.4 | Confident | 46 Ų | 46 | 61.5 Ų | 61.5 | 22% | 0.215 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -70.7 | -36.9 | 179.1 | -75.8 | 161.8 | -179.3 | 0 | 0 | 112.4 | S95 R205 I206 L212 Q213 | S95-E209 PolarHBondContact OG-OE1 2.86Å; R205-E209 WeakPolarHBondContact CD-OE1 3.42Å; R205-E209 VanDerWaalsContact CG-OE1 3.22Å; R205-E209 WeakPolarHBondContact CG-OE1 3.27Å; R205-E209 IonicContact CZ-OE2 2.65Å; R205-E209 IonicContact NE-OE1 3.52Å; R205-E209 PolarHBondContact NE-OE1 3.06Å; R205-E209 IonicContact NE-OE2 3.52Å; R205-E209 PolarHBondContact NE-OE2 3.45Å; R205-E209 IonicContact NH2-OE2 2.74Å; R205-E209 WeakPolarHBondContact O-CB 2.99Å; R205-E209 WeakPolarHBondContact O-CG 3.24Å; R205-E209 PolarHBondContact O-N 2.83Å; I206-E209 PolarHBondContact O-N 3.35Å; E209-L212 PolarHBondContact O-N 3.38Å; E209-Q213 WeakPolarHBondContact O-CB 3.45Å; E209-Q213 VanDerWaalsContact O-CG 3.25Å; E209-Q213 WeakPolarHBondContact O-CG 3.41Å; E209-Q213 PolarHBondContact O-N 3.2Å |
| 210 | D | 92.3 | Very high | 86.8 | Confident | 60 Ų | 60 | 56.2 Ų | 56.2 | 32% | 0.321 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -56.8 | -54 | 169.3 | 172.1 | 47.6 | 0 | 0 | 0 | 111.8 | I206 R207 L212 Q213 N214 | I206-D210 VanDerWaalsContact O-CB 3.3Å; I206-D210 WeakPolarHBondContact O-CB 3.19Å; I206-D210 PolarHBondContact O-N 2.81Å; R207-D210 IonicContact NE-OD2 3.63Å; D210-L212 VanDerWaalsContact C-N 3.28Å; D210-L212 PolarHBondContact O-N 3.03Å; D210-Q213 PolarHBondContact O-N 2.8Å; D210-Q213 VanDerWaalsContact O-N 3.13Å; D210-N214 WeakPolarHBondContact O-CB 3.44Å; D210-N214 PolarHBondContact O-N 3.44Å; D210-N214 PolarHBondContact OD1-ND2 2.73Å |
| 211 | V | 89.8 | Confident | 86.1 | Confident | 11 Ų | 11 | 56.2 Ų | 56.2 | 7% | 0.067 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.7 | -34.7 | 176.8 | 171.9 | 0 | 0 | 0 | 0 | 112.1 | L91 M164 F167 R207 C215 L220 | L91-V211 HydrophobicContact CD1-CG1 4.21Å; M164-V211 HydrophobicContact CE-CG1 4.37Å; F167-V211 HydrophobicContact CD1-CG1 4.46Å; F167-V211 HydrophobicContact CD1-CG2 4.41Å; F167-V211 HydrophobicContact CD2-CG2 4.07Å; F167-V211 HydrophobicContact CE1-CB 4.32Å; F167-V211 HydrophobicContact CE1-CG1 3.99Å; F167-V211 HydrophobicContact CE1-CG2 4.22Å; F167-V211 HydrophobicContact CE2-CB 4.46Å; F167-V211 HydrophobicContact CE2-CG2 3.88Å; F167-V211 HydrophobicContact CG-CG2 4.33Å; F167-V211 HydrophobicContact CZ-CB 4.08Å; F167-V211 HydrophobicContact CZ-CG1 4.25Å; F167-V211 HydrophobicContact CZ-CG2 3.95Å; R207-V211 WeakPolarHBondContact O-CG2 3.45Å; R207-V211 PolarHBondContact O-N 3.45Å; V211-C215 WeakPolarHBondContact O-CB 3.5Å; V211-C215 PolarHBondContact O-N 3.48Å; V211-L220 HydrophobicContact CG1-CD1 4.39Å |
| 212 | L | 87.8 | Confident | 85.2 | Confident | 35 Ų | 35 | 58 Ų | 58 | 18% | 0.183 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -71.7 | -26.7 | 176.6 | -78.1 | 168.2 | 0 | 0 | 0 | 114 | Q88 L91 L92 V208 E209 D210 | Q88-L212 HydrophobicContact CB-CD2 4.3Å; Q88-L212 HydrophobicContact CG-CD2 3.5Å; L91-L212 HydrophobicContact CB-CD1 4.21Å; L91-L212 HydrophobicContact CB-CD2 3.94Å; L91-L212 HydrophobicContact CB-CG 4.13Å; L92-L212 HydrophobicContact CD2-CD1 3.83Å; L92-L212 HydrophobicContact CG-CD1 4.03Å; L92-L212 HydrophobicContact CG-CD2 4.16Å; V208-L212 HydrophobicContact CG1-CD1 3.9Å; V208-L212 WeakPolarHBondContact O-CB 3.39Å; V208-L212 WeakPolarHBondContact O-CD1 3.34Å; V208-L212 VanDerWaalsContact O-CG 3.24Å; V208-L212 WeakPolarHBondContact O-CG 3.3Å; V208-L212 PolarHBondContact O-N 3.27Å; E209-L212 PolarHBondContact O-N 3.38Å; D210-L212 VanDerWaalsContact C-N 3.28Å; D210-L212 PolarHBondContact O-N 3.03Å |
| 213 | Q | 85.5 | Confident | 84.4 | Confident | 154 Ų | 154 | 57.7 Ų | 57.7 | 72% | 0.72 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -93.8 | -40.2 | -179 | -71.5 | 172.8 | 37.5 | 0 | 0 | 112.6 | E209 D210 | E209-Q213 WeakPolarHBondContact O-CB 3.45Å; E209-Q213 VanDerWaalsContact O-CG 3.25Å; E209-Q213 WeakPolarHBondContact O-CG 3.41Å; E209-Q213 PolarHBondContact O-N 3.2Å; D210-Q213 PolarHBondContact O-N 2.8Å; D210-Q213 VanDerWaalsContact O-N 3.13Å |
| 214 | N | 81.2 | Confident | 83.5 | Confident | 119 Ų | 119 | 55.2 Ų | 55.2 | 64% | 0.636 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -97.8 | -3.7 | -169.9 | -69.1 | -40.8 | 0 | 0 | 0 | 114.4 | D210 G216 | D210-N214 WeakPolarHBondContact O-CB 3.44Å; D210-N214 PolarHBondContact O-N 3.44Å; D210-N214 PolarHBondContact OD1-ND2 2.73Å; N214-G216 PolarHBondContact O-N 3.29Å |
| 215 | C | 71.8 | Confident | 82.8 | Confident | 50 Ų | 50 | 56.8 Ų | 56.8 | 34% | 0.338 | 33% | 0.327 | S | S | . | . | trans | -73 | 95.8 | 173.5 | -169.9 | 0 | 0 | 0 | 0 | 111.3 | V211 D217 L220 | V211-C215 WeakPolarHBondContact O-CB 3.5Å; V211-C215 PolarHBondContact O-N 3.48Å; C215-D217 PolarHBondContact O-N 3.08Å; C215-L220 HydrophobicContact CB-CD1 3.45Å; C215-L220 VanDerWaalsContact CB-CD1 3.45Å; C215-L220 HydrophobicContact CB-CG 4.27Å; C215-L220 VanDerWaalsContact SG-CD1 3.51Å | ||
| 216 | G | 63.7 | Low | 82.4 | Confident | 86 Ų | 86 | 55.3 Ų | 55.3 | 89% | 0.887 | 32% | 0.322 | S | S | * | . | trans | -71.2 | 4.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | N214 | N214-G216 PolarHBondContact O-N 3.29Š| ||
| 217 | D | 69.6 | Low | 82 | Confident | 73 Ų | 73 | 52.6 Ų | 52.6 | 39% | 0.39 | 31% | 0.307 | S | S | . | . | trans | -107.5 | 125.5 | -176.3 | -161.5 | -1.5 | 0 | 0 | 0 | 112.3 | C215 I219 H311 | C215-D217 PolarHBondContact O-N 3.08Å; D217-I219 PolarHBondContact O-N 3.15Å; D217-H311 IonicContact OD1-CE1 2.76Å; D217-H311 PolarHBondContact OD1-CE1 3.22Å; D217-H311 VanDerWaalsContact OD1-CE1 3.24Å; D217-H311 IonicContact OD2-CE1 3.47Å | ||
| 218 | S | 73.2 | Confident | 81.9 | Confident | 77 Ų | 77 | 49.8 Ų | 49.8 | 54% | 0.538 | 30% | 0.3 | S | S | . | . | G | 310 helix | trans | -67.4 | -8.7 | -169.9 | -60.1 | 0 | 0 | 0 | 0 | 114.5 | L220 L221 T222 | S218-L220 VanDerWaalsContact C-N 3.29Å; S218-L220 PolarHBondContact O-N 2.91Å; S218-L221 WeakPolarHBondContact O-CA 3.48Å; S218-L221 WeakPolarHBondContact O-CB 3.48Å; S218-L221 PolarHBondContact O-N 3.31Å; S218-T222 PolarHBondContact O-N 2.94Å; S218-T222 PolarHBondContact O-OG1 2.82Å |
| 219 | I | 75.9 | Confident | 81.8 | Confident | 4 Ų | 4 | 49.8 Ų | 49.8 | 2% | 0.021 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | -70.5 | -20.2 | -175.5 | -165.9 | 139.2 | 0 | 0 | 0 | 114.2 | P157 F158 D217 L221 T222 P309 H311 | P157-I219 HydrophobicContact CG-CD1 3.39Å; P157-I219 HydrophobicContact CG-CG1 4.23Å; F158-I219 HydrophobicContact CE1-CG1 4.32Å; F158-I219 HydrophobicContact CE1-CG2 4.03Å; F158-I219 HydrophobicContact CZ-CG1 4.07Å; D217-I219 PolarHBondContact O-N 3.15Å; I219-L221 PolarHBondContact O-N 2.89Å; I219-T222 PolarHBondContact O-N 3.04Å; I219-P309 HydrophobicContact CG1-CB 4.12Å; I219-H311 WeakPolarHBondContact CD1-NE2 3.46Å |
| 220 | L | 79.8 | Confident | 81.8 | Confident | 8 Ų | 8 | 52.8 Ų | 52.8 | 4% | 0.042 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -64.5 | -23.5 | 167.7 | -64.5 | -168.5 | 0 | 0 | 0 | 113 | T86 L87 Q88 F158 V211 C215 S218 | T86-L220 WeakPolarHBondContact CB-O 3.38Å; L87-L220 HydrophobicContact CB-CD2 4.06Å; L87-L220 HydrophobicContact CD2-CD2 3.6Å; L87-L220 HydrophobicContact CG-CD2 3.89Å; L87-L220 PolarHBondContact N-O 2.83Å; Q88-L220 HydrophobicContact CB-CB 4.47Å; Q88-L220 WeakPolarHBondContact CB-O 3.49Å; Q88-L220 PolarHBondContact N-O 2.86Å; F158-L220 HydrophobicContact CE1-CD2 3.95Å; V211-L220 HydrophobicContact CG1-CD1 4.39Å; C215-L220 HydrophobicContact CB-CD1 3.45Å; C215-L220 VanDerWaalsContact CB-CD1 3.45Å; C215-L220 HydrophobicContact CB-CG 4.27Å; C215-L220 VanDerWaalsContact SG-CD1 3.51Å; S218-L220 VanDerWaalsContact C-N 3.29Å; S218-L220 PolarHBondContact O-N 2.91Å |
| 221 | L | 79.1 | Confident | 81.9 | Confident | 94 Ų | 94 | 49.9 Ų | 49.9 | 49% | 0.492 | 30% | 0.298 | S | S | . | . | G | 310 helix | trans | -95.3 | -11.8 | -179.3 | -47.6 | 179.4 | 0 | 0 | 0 | 112.7 | T86 Q88 S218 I219 P223 | T86-L221 WeakPolarHBondContact CG2-O 3.35Å; Q88-L221 HydrophobicContact CB-CD2 4.11Å; Q88-L221 HydrophobicContact CG-CD2 4.17Å; Q88-L221 VanDerWaalsContact OE1-CD2 3.31Å; S218-L221 WeakPolarHBondContact O-CA 3.48Å; S218-L221 WeakPolarHBondContact O-CB 3.48Å; S218-L221 PolarHBondContact O-N 3.31Å; I219-L221 PolarHBondContact O-N 2.89Å; L221-P223 WeakPolarHBondContact O-CD 3.08Å |
| 222 | T | 77.9 | Confident | 81.9 | Confident | 38 Ų | 38 | 58.2 Ų | 58.2 | 23% | 0.233 | 33% | 0.328 | C | S | . | . | P | Polyproline II helix | trans | -77.4 | 121.6 | 179.9 | -59 | 0 | 0 | 0 | 0 | 110.1 | S218 I219 P309 | S218-T222 PolarHBondContact O-N 2.94Å; S218-T222 PolarHBondContact O-OG1 2.82Å; I219-T222 PolarHBondContact O-N 3.04Å; T222-P309 HydrophobicContact CG2-CB 4.01Å |
| 223 | P | 77.9 | Confident | 81.9 | Confident | 52 Ų | 52 | 58.4 Ų | 58.4 | 34% | 0.338 | 33% | 0.327 | S | S | . | . | P | Polyproline II helix | trans | -75.3 | 158.1 | 174.8 | 31.5 | -34.6 | 0 | 0 | 0 | 111.5 | D83 T86 L221 G225 | D83-P223 WeakPolarHBondContact O-CB 3.03Å; T86-P223 HydrophobicContact CG2-CB 4.18Å; L221-P223 WeakPolarHBondContact O-CD 3.08Å; P223-G225 PolarHBondContact O-N 2.67Å |
| 224 | C | 77.5 | Confident | 81.6 | Confident | 11 Ų | 11 | 57.4 Ų | 57.4 | 7% | 0.074 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -70.3 | 116.6 | 167.8 | -64.8 | 0 | 0 | 0 | 0 | 110.2 | W152 R306 K307 | W152-C224 WeakPolarHBondContact CH2-SG 3.47Å; C224-R306 HydrophobicContact CB-CG 3.93Å; C224-K307 WeakPolarHBondContact CA-O 3.41Å; C224-K307 VanDerWaalsContact CB-O 3.26Å; C224-K307 WeakPolarHBondContact CB-O 3.47Å |
| 225 | G | 80.3 | Confident | 81.1 | Confident | 32 Ų | 32 | 57.3 Ų | 57.3 | 33% | 0.33 | 33% | 0.326 | S | S | . | . | P | Polyproline II helix | trans | -72.9 | 170.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113 | P223 K307 | P223-G225 PolarHBondContact O-N 2.67Å; G225-K307 PolarHBondContact O-N 2.83Å |
| 226 | I | 87.8 | Confident | 80.8 | Confident | 11 Ų | 11 | 60.7 Ų | 60.7 | 6% | 0.056 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 130.8 | 173.2 | -58.4 | -179.6 | 0 | 0 | 0 | 108.6 | E5 F82 I275 R304 L305 | E5-I226 VanDerWaalsContact O-CG2 3.25Å; E5-I226 WeakPolarHBondContact O-CG2 3.48Å; F82-I226 HydrophobicContact CB-CD1 3.8Å; F82-I226 HydrophobicContact CD1-CD1 3.76Å; F82-I226 HydrophobicContact CD2-CD1 3.95Å; F82-I226 HydrophobicContact CE1-CD1 4.3Å; F82-I226 HydrophobicContact CE2-CD1 4.47Å; F82-I226 HydrophobicContact CG-CD1 3.57Å; I226-I275 HydrophobicContact CD1-CD1 3.96Å; I226-I275 HydrophobicContact CG1-CD1 4.09Å; I226-I275 HydrophobicContact CG2-CD1 3.91Å; I226-R304 HydrophobicContact CG2-CG 3.51Å; I226-L305 WeakPolarHBondContact CA-O 3.5Å |
| 227 | E | 88.9 | Confident | 81.2 | Confident | 33 Ų | 33 | 58.3 Ų | 58.3 | 15% | 0.154 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 138.2 | -178.2 | -173.2 | 176.2 | -165.7 | 0 | 0 | 111.2 | V229 K267 L305 K307 | E227-V229 HydrophobicContact CG-CG2 4.14Å; E227-K267 WeakPolarHBondContact OE1-CG 3.5Å; E227-K267 IonicContact OE1-NZ 3.67Å; E227-K267 PolarHBondContact OE1-NZ 2.88Å; E227-L305 PolarHBondContact N-O 2.82Å; E227-L305 PolarHBondContact O-N 2.78Å; E227-K307 HydrophobicContact CB-CD 3.77Å; E227-K307 HydrophobicContact CB-CG 3.6Å; E227-K307 VanDerWaalsContact OE2-CD 3.3Å; E227-K307 WeakPolarHBondContact OE2-CD 3.44Å; E227-K307 WeakPolarHBondContact OE2-CE 3.39Å; E227-K307 IonicContact OE2-NZ 2.73Å; E227-K307 PolarHBondContact OE2-NZ 3.47Å |
| 228 | M | 91.3 | Very high | 81.9 | Confident | 52 Ų | 52 | 60.5 Ų | 60.5 | 26% | 0.256 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 123.4 | 170.5 | -166.9 | 65.3 | -130.8 | 0 | 0 | 110.3 | S302 L303 R304 | M228-S302 VanDerWaalsContact CE-OG 3.31Å; M228-S302 WeakPolarHBondContact CE-OG 3.48Å; M228-L303 WeakPolarHBondContact CE-O 3.35Å; M228-R304 HydrophobicContact SD-CB 4.03Å; M228-R304 HydrophobicContact SD-CG 4.44Å |
| 229 | V | 93.2 | Very high | 82.7 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 128.5 | -178.8 | -171.5 | 0 | 0 | 0 | 0 | 110.1 | E227 I231 T265 K267 V268 L303 L305 | E227-V229 HydrophobicContact CG-CG2 4.14Å; V229-I231 HydrophobicContact CG1-CG1 4.13Å; V229-T265 HydrophobicContact CG1-CG2 4.42Å; V229-K267 HydrophobicContact CB-CB 4.41Å; V229-K267 HydrophobicContact CG1-CB 3.78Å; V229-K267 HydrophobicContact CG1-CD 4.22Å; V229-K267 HydrophobicContact CG2-CB 3.75Å; V229-K267 HydrophobicContact CG2-CD 4.39Å; V229-V268 HydrophobicContact CG1-CG2 3.89Å; V229-L303 PolarHBondContact N-O 2.93Å; V229-L303 PolarHBondContact O-N 3.41Å; V229-L305 HydrophobicContact CG2-CD1 3.89Å; V229-L305 HydrophobicContact CG2-CG 4.28Å |
| 230 | Q | 93.7 | Very high | 83.3 | Confident | 108 Ų | 108 | 57.5 Ų | 57.5 | 51% | 0.505 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 125 | 171.7 | -73.1 | -179.4 | -17.7 | 0 | 0 | 108.8 | H300 | Q230-H300 WeakPolarHBondContact CG-NE2 3.34Å |
| 231 | I | 93.5 | Very high | 83.9 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 130.7 | 178.3 | -40.3 | 172.9 | 0 | 0 | 0 | 107.8 | V229 F239 F241 P261 A262 T265 V268 H300 I301 L303 | V229-I231 HydrophobicContact CG1-CG1 4.13Å; I231-F239 HydrophobicContact CB-CD1 4.07Å; I231-F239 HydrophobicContact CG2-CD1 3.87Å; I231-F241 HydrophobicContact CD1-CD1 4.11Å; I231-F241 HydrophobicContact CD1-CE1 3.86Å; I231-P261 HydrophobicContact CG2-CB 3.68Å; I231-A262 HydrophobicContact CD1-CB 4.07Å; I231-T265 HydrophobicContact CB-CG2 4.44Å; I231-T265 HydrophobicContact CG1-CG2 4.12Å; I231-T265 HydrophobicContact CG2-CG2 4.21Å; I231-V268 HydrophobicContact CD1-CG2 3.78Å; I231-V268 HydrophobicContact CG1-CG2 4.38Å; I231-H300 WeakPolarHBondContact O-CA 3.43Å; I231-I301 HydrophobicContact CB-CG2 3.83Å; I231-I301 HydrophobicContact CD1-CG2 4.03Å; I231-I301 HydrophobicContact CG1-CG2 4.12Å; I231-I301 PolarHBondContact N-O 3.39Å; I231-I301 PolarHBondContact O-N 3.05Å; I231-L303 HydrophobicContact CD1-CD1 3.91Å |
| 232 | R | 91.1 | Very high | 84.4 | Confident | 186 Ų | 186 | 57.8 Ų | 57.8 | 70% | 0.702 | 31% | 0.313 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 133 | 173.6 | -78.7 | -178.1 | -89.7 | -132.9 | -9.1 | 109.7 | Q299 H300 | R232-Q299 WeakPolarHBondContact CA-O 3.41Å; R232-H300 HydrophobicContact CG-CB 4.29Å |
| 233 | K | 86.5 | Confident | 85.1 | Confident | 38 Ų | 38 | 57.5 Ų | 57.5 | 17% | 0.165 | 31% | 0.308 | C | S | . | . | trans | -121.9 | 158.3 | 178 | 68.5 | 176.3 | -163.3 | 159.4 | 0 | 110.5 | A237 F239 P261 S298 Q299 | K233-A237 HydrophobicContact CB-CB 4.39Å; K233-A237 VanDerWaalsContact CD-O 3.26Å; K233-A237 WeakPolarHBondContact CD-O 3.25Å; K233-A237 WeakPolarHBondContact CE-O 3.33Å; K233-A237 PolarHBondContact NZ-O 2.98Å; K233-F239 HydrophobicContact CB-CD1 4.11Å; K233-F239 HydrophobicContact CB-CE1 4.14Å; K233-F239 HydrophobicContact CD-CD1 3.76Å; K233-F239 HydrophobicContact CD-CD2 4.11Å; K233-F239 HydrophobicContact CD-CE1 3.64Å; K233-F239 HydrophobicContact CD-CE2 4Å; K233-F239 HydrophobicContact CD-CG 3.99Å; K233-F239 HydrophobicContact CD-CZ 3.77Å; K233-F239 HydrophobicContact CG-CD1 3.98Å; K233-F239 HydrophobicContact CG-CE1 3.62Å; K233-F239 HydrophobicContact CG-CZ 4.06Å; K233-P261 HydrophobicContact CB-CB 4.21Å; K233-P261 HydrophobicContact CB-CG 3.81Å; K233-S298 WeakPolarHBondContact CE-O 3.33Å; K233-Q299 PolarHBondContact N-O 2.76Å | ||
| 234 | L | 79.1 | Confident | 85.5 | Confident | 133 Ų | 133 | 59.3 Ų | 59.3 | 70% | 0.696 | 31% | 0.309 | S | S | * | . | trans | -74.4 | 154.9 | 164 | -119.6 | 69.5 | 0 | 0 | 0 | 109.6 | S236 A237 | L234-S236 PolarHBondContact O-N 3.18Å; L234-A237 PolarHBondContact O-N 3.19Å | ||
| 235 | D | 70.8 | Confident | 86 | Confident | 117 Ų | 117 | 60.2 Ų | 60.2 | 63% | 0.626 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -29.9 | -168.9 | -59.5 | -61.1 | 0 | 0 | 0 | 114.9 | Q299 | D235-Q299 VanDerWaalsContact OD1-CG 3.27Å; D235-Q299 WeakPolarHBondContact OD1-CG 3.44Å; D235-Q299 PolarHBondContact OD1-NE2 3.2Å |
| 236 | S | 66.7 | Low | 85.8 | Confident | 121 Ų | 121 | 59.5 Ų | 59.5 | 85% | 0.846 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | -4 | -178.3 | 56.8 | 0 | 0 | 0 | 0 | 115.1 | L234 | L234-S236 PolarHBondContact O-N 3.18Š|
| 237 | A | 71.4 | Confident | 85.1 | Confident | 37 Ų | 37 | 61.5 Ų | 61.5 | 31% | 0.306 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -91.6 | 165 | -179 | 0 | 0 | 0 | 0 | 0 | 112 | K233 L234 | K233-A237 HydrophobicContact CB-CB 4.39Å; K233-A237 VanDerWaalsContact CD-O 3.26Å; K233-A237 WeakPolarHBondContact CD-O 3.25Å; K233-A237 WeakPolarHBondContact CE-O 3.33Å; K233-A237 PolarHBondContact NZ-O 2.98Å; L234-A237 PolarHBondContact O-N 3.19Å |
| 238 | D | 85.1 | Confident | 84.4 | Confident | 118 Ų | 118 | 62.2 Ų | 62.2 | 63% | 0.631 | 32% | 0.319 | S | S | * | . | trans | -91.6 | 162 | 159.1 | -96.1 | -34.9 | 0 | 0 | 0 | 110.7 | G240 P261 | D238-G240 PolarHBondContact O-N 3.03Å; D238-P261 WeakPolarHBondContact O-CD 3.37Å; D238-P261 WeakPolarHBondContact O-CG 3.14Å | ||
| 239 | F | 89.7 | Confident | 84.2 | Confident | 15 Ų | 15 | 60.8 Ų | 60.8 | 7% | 0.066 | 31% | 0.313 | C | S | . | . | trans | -66.8 | -19.7 | 169.6 | -64.2 | -69.8 | 0 | 0 | 0 | 112.5 | I231 K233 F241 A262 S297 I301 | I231-F239 HydrophobicContact CB-CD1 4.07Å; I231-F239 HydrophobicContact CG2-CD1 3.87Å; K233-F239 HydrophobicContact CB-CD1 4.11Å; K233-F239 HydrophobicContact CB-CE1 4.14Å; K233-F239 HydrophobicContact CD-CD1 3.76Å; K233-F239 HydrophobicContact CD-CD2 4.11Å; K233-F239 HydrophobicContact CD-CE1 3.64Å; K233-F239 HydrophobicContact CD-CE2 4Å; K233-F239 HydrophobicContact CD-CG 3.99Å; K233-F239 HydrophobicContact CD-CZ 3.77Å; K233-F239 HydrophobicContact CG-CD1 3.98Å; K233-F239 HydrophobicContact CG-CE1 3.62Å; K233-F239 HydrophobicContact CG-CZ 4.06Å; F239-F241 HydrophobicContact CB-CD1 3.79Å; F239-F241 HydrophobicContact CB-CE1 3.59Å; F239-F241 HydrophobicContact CG-CE1 4.29Å; F239-A262 WeakPolarHBondContact O-CB 3.27Å; F239-A262 PolarHBondContact O-N 3.34Å; F239-S297 VanDerWaalsContact CE2-O 3.24Å; F239-S297 WeakPolarHBondContact CE2-O 3.16Å; F239-S297 VanDerWaalsContact CZ-O 3.27Å; F239-S297 WeakPolarHBondContact CZ-O 3.47Å; F239-I301 HydrophobicContact CD1-CG2 3.62Å; F239-I301 HydrophobicContact CD2-CG2 4.1Å; F239-I301 HydrophobicContact CE1-CB 3.98Å; F239-I301 HydrophobicContact CE1-CG2 3.47Å; F239-I301 VanDerWaalsContact CE1-CG2 3.47Å; F239-I301 HydrophobicContact CE2-CB 4.04Å; F239-I301 HydrophobicContact CE2-CD1 4.37Å; F239-I301 HydrophobicContact CE2-CG2 3.97Å; F239-I301 HydrophobicContact CG-CG2 3.95Å; F239-I301 HydrophobicContact CZ-CB 3.7Å; F239-I301 HydrophobicContact CZ-CG2 3.66Å | ||
| 240 | G | 88.6 | Confident | 83.9 | Confident | 3 Ų | 3 | 62.3 Ų | 62.3 | 3% | 0.031 | 32% | 0.321 | C | S | . | . | trans | 75.8 | 32.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | D238 Q257 S260 | D238-G240 PolarHBondContact O-N 3.03Å; G240-Q257 WeakPolarHBondContact O-CB 3.43Å; G240-Q257 WeakPolarHBondContact O-CG 3.16Å; G240-Q257 PolarHBondContact O-N 3.25Å; G240-S260 PolarHBondContact O-OG 3.43Å | ||
| 241 | F | 91.3 | Very high | 83.7 | Confident | 24 Ų | 24 | 57.3 Ų | 57.3 | 11% | 0.105 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 149.6 | 167.9 | 68.2 | -90.1 | 0 | 0 | 0 | 110.8 | I231 F239 I253 S255 V256 A262 M294 L303 | I231-F241 HydrophobicContact CD1-CD1 4.11Å; I231-F241 HydrophobicContact CD1-CE1 3.86Å; F239-F241 HydrophobicContact CB-CD1 3.79Å; F239-F241 HydrophobicContact CB-CE1 3.59Å; F239-F241 HydrophobicContact CG-CE1 4.29Å; F241-I253 HydrophobicContact CD2-CD1 3.76Å; F241-I253 HydrophobicContact CE2-CD1 4.14Å; F241-S255 WeakPolarHBondContact CA-O 3.27Å; F241-V256 HydrophobicContact CB-CG2 4.44Å; F241-A262 HydrophobicContact CB-CB 4.24Å; F241-A262 HydrophobicContact CD1-CB 3.99Å; F241-M294 HydrophobicContact CE2-CE 4.14Å; F241-M294 HydrophobicContact CE2-SD 3.76Å; F241-M294 HydrophobicContact CZ-CE 4.37Å; F241-M294 HydrophobicContact CZ-SD 3.87Å; F241-L303 HydrophobicContact CE1-CD1 4.04Å; F241-L303 HydrophobicContact CE2-CD1 4.4Å; F241-L303 HydrophobicContact CZ-CD1 3.77Å |
| 242 | N | 90.1 | Very high | 83.5 | Confident | 85 Ų | 85 | 57.9 Ų | 57.9 | 46% | 0.455 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 142.8 | 170.5 | -64.4 | -59.8 | 0 | 0 | 0 | 109.3 | V254 S255 | N242-V254 PolarHBondContact O-N 2.92Å; N242-S255 WeakPolarHBondContact CB-OG 3.46Å; N242-S255 PolarHBondContact N-O 3.2Å; N242-S255 PolarHBondContact ND2-OG 3.48Å; N242-S255 PolarHBondContact O-N 3.08Å |
| 243 | F | 92.8 | Very high | 83.5 | Confident | 31 Ų | 31 | 49.1 Ų | 49.1 | 14% | 0.136 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 148.4 | 172.6 | 77 | -78.6 | 0 | 0 | 0 | 111 | H251 V252 I253 H287 V290 A291 M294 | F243-H251 HydrophobicContact CD2-CB 4.06Å; F243-H251 HydrophobicContact CE2-CB 4.35Å; F243-H251 AromaticContact CE2-ND1 3.93Å; F243-V252 CarbonylContact C-O 3.46Å; F243-V252 VanDerWaalsContact CA-O 3.26Å; F243-V252 WeakPolarHBondContact CA-O 3.06Å; F243-V252 WeakPolarHBondContact CB-O 3.39Å; F243-I253 HydrophobicContact CB-CD1 4.18Å; F243-H287 AromaticContact CE2-CE1 3.53Å; F243-H287 AromaticContact CE2-ND1 3.38Å; F243-H287 WeakPolarHBondContact CE2-ND1 3.48Å; F243-H287 AromaticContact CZ-CE1 3.66Å; F243-H287 AromaticContact CZ-ND1 3.84Å; F243-V290 HydrophobicContact CE2-CB 4.28Å; F243-V290 HydrophobicContact CE2-CG1 4Å; F243-V290 HydrophobicContact CZ-CB 4.14Å; F243-V290 HydrophobicContact CZ-CG1 3.89Å; F243-A291 HydrophobicContact CE1-CB 4.19Å; F243-A291 HydrophobicContact CZ-CB 3.96Å; F243-M294 HydrophobicContact CD1-CE 4.33Å; F243-M294 HydrophobicContact CD1-SD 3.84Å; F243-M294 HydrophobicContact CE1-CE 4.27Å; F243-M294 HydrophobicContact CE1-SD 3.55Å; F243-M294 VanDerWaalsContact CE1-SD 3.55Å; F243-M294 HydrophobicContact CZ-SD 4.27Å |
| 244 | R | 87.3 | Confident | 83.5 | Confident | 91 Ų | 91 | 50.1 Ų | 50.1 | 34% | 0.343 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 170.6 | 165 | 71.1 | 178.2 | -177.8 | 142 | 0 | 109.5 | E154 H251 V252 V254 S595 D597 | E154-R244 IonicContact OE2-NH2 3.82Å; E154-R244 PolarHBondContact OE2-NH2 3.14Å; R244-H251 WeakPolarHBondContact O-CA 3.49Å; R244-V252 PolarHBondContact N-O 2.94Å; R244-V252 PolarHBondContact O-N 3.41Å; R244-V254 HydrophobicContact CB-CG2 3.62Å; R244-V254 HydrophobicContact CG-CG2 3.54Å; R244-S595 PolarHBondContact NH1-OG 2.8Å; R244-D597 IonicContact CZ-OD2 3.83Å; R244-D597 IonicContact NH1-OD2 2.76Å; R244-D597 PolarHBondContact NH1-OD2 3.43Å |
| 245 | S | 86.5 | Confident | 83.7 | Confident | 29 Ų | 29 | 45.8 Ų | 45.8 | 20% | 0.203 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 133.1 | 168.7 | -54.8 | 0 | 0 | 0 | 0 | 109 | I250 H251 H287 | S245-I250 VanDerWaalsContact CA-O 3.31Å; S245-I250 WeakPolarHBondContact CA-O 3.34Å; S245-H251 PolarHBondContact OG-ND1 3.47Å; S245-H287 PolarHBondContact OG-ND1 2.96Å |
| 246 | T | 77.5 | Confident | 84.6 | Confident | 17 Ų | 17 | 41.7 Ų | 41.7 | 10% | 0.104 | 24% | 0.237 | C | C | . | . | trans | -71.2 | 166.7 | 178.3 | 64.5 | 0 | 0 | 0 | 0 | 111 | N248 N249 I250 D597 | T246-N248 PolarHBondContact O-N 3.05Å; T246-N248 PolarHBondContact OG1-N 3.02Å; T246-N249 PolarHBondContact O-N 3.42Å; T246-I250 HydrophobicContact CG2-CB 4.33Å; T246-I250 PolarHBondContact N-O 3.23Å; T246-I250 WeakPolarHBondContact OG1-CB 3.31Å; T246-I250 PolarHBondContact OG1-N 3.04Å; T246-I250 VanDerWaalsContact OG1-N 3.14Å; T246-D597 WeakPolarHBondContact CA-OD1 3.49Å; T246-D597 WeakPolarHBondContact CB-OD1 3.32Å | ||
| 247 | I | 71.8 | Confident | 85.6 | Confident | 54 Ų | 54 | 40.2 Ų | 40.2 | 28% | 0.277 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -23.6 | 172.8 | -171.9 | 172.9 | 0 | 0 | 0 | 113.8 | N249 D597 M600 L601 | I247-N249 VanDerWaalsContact C-N 3.33Å; I247-D597 PolarHBondContact N-OD1 2.96Å; I247-M600 HydrophobicContact CG2-CB 3.46Å; I247-M600 VanDerWaalsContact CG2-CB 3.46Å; I247-M600 HydrophobicContact CG2-CG 4.49Å; I247-L601 HydrophobicContact CD1-CB 3.83Å; I247-L601 HydrophobicContact CD1-CD1 3.6Å; I247-L601 HydrophobicContact CD1-CG 4.33Å |
| 248 | N | 74.9 | Confident | 86.3 | Confident | 47 Ų | 47 | 44.5 Ų | 44.5 | 25% | 0.251 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | 6.3 | 175.4 | -78.4 | 14.6 | 0 | 0 | 0 | 113.4 | K71 Q74 T246 I250 M600 | K71-N248 PolarHBondContact NZ-O 2.82Å; Q74-N248 VanDerWaalsContact CD-O 3.28Å; Q74-N248 PolarHBondContact NE2-O 3Å; Q74-N248 PolarHBondContact OE1-O 3.18Å; T246-N248 PolarHBondContact O-N 3.05Å; T246-N248 PolarHBondContact OG1-N 3.02Å; N248-I250 HydrophobicContact CB-CG1 4.48Å; N248-M600 VanDerWaalsContact ND2-CE 3.27Å; N248-M600 WeakPolarHBondContact ND2-CE 3.36Å |
| 249 | N | 87 | Confident | 86.4 | Confident | 23 Ų | 23 | 46.4 Ų | 46.4 | 12% | 0.123 | 24% | 0.24 | C | C | . | . | trans | 57.6 | 54.6 | -171.3 | -59 | -10.4 | 0 | 0 | 0 | 112.3 | K71 Q74 T246 I247 G284 W285 | K71-N249 PolarHBondContact NZ-ND2 3.45Å; Q74-N249 PolarHBondContact NE2-O 3.47Å; T246-N249 PolarHBondContact O-N 3.42Å; I247-N249 VanDerWaalsContact C-N 3.33Å; N249-G284 VanDerWaalsContact CB-C 3.47Å; N249-G284 WeakPolarHBondContact CB-O 3.45Å; N249-G284 PolarHBondContact ND2-O 3.46Å; N249-G284 PolarHBondContact O-N 2.85Å; N249-W285 WeakPolarHBondContact CB-O 3.31Å; N249-W285 PolarHBondContact ND2-O 3.41Å | ||
| 250 | I | 86.3 | Confident | 86.4 | Confident | 32 Ų | 32 | 46.1 Ų | 46.1 | 16% | 0.164 | 24% | 0.239 | C | C | . | . | trans | -105.9 | 119.4 | 163.8 | -55 | 176.3 | 0 | 0 | 0 | 107.1 | S245 T246 N248 V252 E273 | S245-I250 VanDerWaalsContact CA-O 3.31Å; S245-I250 WeakPolarHBondContact CA-O 3.34Å; T246-I250 HydrophobicContact CG2-CB 4.33Å; T246-I250 PolarHBondContact N-O 3.23Å; T246-I250 WeakPolarHBondContact OG1-CB 3.31Å; T246-I250 PolarHBondContact OG1-N 3.04Å; T246-I250 VanDerWaalsContact OG1-N 3.14Å; N248-I250 HydrophobicContact CB-CG1 4.48Å; I250-V252 HydrophobicContact CG2-CG2 4.06Å; I250-E273 HydrophobicContact CG2-CG 4.3Å; I250-E273 VanDerWaalsContact CG2-OE1 3.27Å; I250-E273 WeakPolarHBondContact CG2-OE1 3.26Å | ||
| 251 | H | 90.8 | Very high | 86.5 | Confident | 3 Ų | 3 | 47.4 Ų | 47.4 | 1% | 0.014 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 122.4 | -174.3 | -49.9 | -74.2 | 0 | 0 | 0 | 109.6 | F243 R244 S245 E273 V274 V282 W285 V290 | F243-H251 HydrophobicContact CD2-CB 4.06Å; F243-H251 HydrophobicContact CE2-CB 4.35Å; F243-H251 AromaticContact CE2-ND1 3.93Å; R244-H251 WeakPolarHBondContact O-CA 3.49Å; S245-H251 PolarHBondContact OG-ND1 3.47Å; H251-E273 CarbonylContact O-C 3.57Å; H251-E273 VanDerWaalsContact O-CA 3.24Å; H251-E273 WeakPolarHBondContact O-CA 3.09Å; H251-V274 HydrophobicContact CB-CB 4.07Å; H251-V274 PolarHBondContact O-N 3Å; H251-V282 PolarHBondContact NE2-O 2.73Å; H251-W285 PolarHBondContact CE1-O 3.33Å; H251-W285 PolarHBondContact NE2-O 2.99Å; H251-V290 VanDerWaalsContact CE1-CG2 3.48Å; H251-V290 WeakPolarHBondContact CE1-CG2 3.36Å |
| 252 | V | 88.5 | Confident | 86.5 | Confident | 12 Ų | 12 | 46.2 Ų | 46.2 | 7% | 0.073 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 130 | -170.5 | -174.7 | 0 | 0 | 0 | 0 | 110.8 | F243 R244 I250 V254 D272 E273 | F243-V252 CarbonylContact C-O 3.46Å; F243-V252 VanDerWaalsContact CA-O 3.26Å; F243-V252 WeakPolarHBondContact CA-O 3.06Å; F243-V252 WeakPolarHBondContact CB-O 3.39Å; R244-V252 PolarHBondContact N-O 2.94Å; R244-V252 PolarHBondContact O-N 3.41Å; I250-V252 HydrophobicContact CG2-CG2 4.06Å; V252-V254 PolarHBondContact O-N 3.4Å; V252-D272 WeakPolarHBondContact CA-O 3.49Å; V252-E273 HydrophobicContact CG2-CG 4.48Å |
| 253 | I | 90 | Very high | 86.5 | Confident | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.01 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 130.6 | 177 | -51.7 | -58.7 | 0 | 0 | 0 | 110.1 | F241 F243 V256 V268 T269 G271 D272 V274 | F241-I253 HydrophobicContact CD2-CD1 3.76Å; F241-I253 HydrophobicContact CE2-CD1 4.14Å; F243-I253 HydrophobicContact CB-CD1 4.18Å; I253-V256 HydrophobicContact CG2-CG2 4.12Å; I253-V268 HydrophobicContact CG1-CG1 4.26Å; I253-V268 HydrophobicContact CG2-CG1 4.29Å; I253-T269 WeakPolarHBondContact CB-O 3.4Å; I253-T269 WeakPolarHBondContact CG2-O 3.46Å; I253-G271 PolarHBondContact O-N 3.29Å; I253-D272 HydrophobicContact CG1-CB 4.31Å; I253-D272 PolarHBondContact N-O 3.39Å; I253-V274 HydrophobicContact CD1-CG2 3.78Å |
| 254 | V | 86.6 | Confident | 86.3 | Confident | 59 Ų | 59 | 47.8 Ų | 47.8 | 36% | 0.358 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | -38.2 | -178.1 | 178 | 0 | 0 | 0 | 0 | 111.9 | N242 R244 V252 K270 | N242-V254 PolarHBondContact O-N 2.92Å; R244-V254 HydrophobicContact CB-CG2 3.62Å; R244-V254 HydrophobicContact CG-CG2 3.54Å; V252-V254 PolarHBondContact O-N 3.4Å; V254-K270 WeakPolarHBondContact O-CD 3.41Å; V254-K270 WeakPolarHBondContact O-CE 3.45Å; V254-K270 VanDerWaalsContact O-CG 3.3Å; V254-K270 WeakPolarHBondContact O-CG 3.25Å |
| 255 | S | 85.1 | Confident | 86.4 | Confident | 41 Ų | 41 | 45.3 Ų | 45.3 | 29% | 0.287 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 143.7 | 178.5 | 62.3 | 0 | 0 | 0 | 0 | 109.8 | F241 N242 | F241-S255 WeakPolarHBondContact CA-O 3.27Å; N242-S255 WeakPolarHBondContact CB-OG 3.46Å; N242-S255 PolarHBondContact N-O 3.2Å; N242-S255 PolarHBondContact ND2-OG 3.48Å; N242-S255 PolarHBondContact O-N 3.08Å |
| 256 | V | 88.1 | Confident | 86.3 | Confident | 32 Ų | 32 | 46 Ų | 46 | 19% | 0.194 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 138.9 | 158.1 | -174.8 | 0 | 0 | 0 | 0 | 105.6 | F241 I253 A262 F263 V268 | F241-V256 HydrophobicContact CB-CG2 4.44Å; I253-V256 HydrophobicContact CG2-CG2 4.12Å; V256-A262 HydrophobicContact CG1-CB 3.85Å; V256-F263 HydrophobicContact CG1-CB 3.9Å; V256-V268 HydrophobicContact CG2-CB 4.28Å; V256-V268 HydrophobicContact CG2-CG1 3.8Å |
| 257 | Q | 87.9 | Confident | 86.9 | Confident | 89 Ų | 89 | 49 Ų | 49 | 42% | 0.416 | 27% | 0.274 | S | S | . | . | trans | -84.1 | 135.1 | 177.9 | -61.2 | 172.2 | 15.6 | 0 | 0 | 108.6 | G240 S260 F263 | G240-Q257 WeakPolarHBondContact O-CB 3.43Å; G240-Q257 WeakPolarHBondContact O-CG 3.16Å; G240-Q257 PolarHBondContact O-N 3.25Å; Q257-S260 VanDerWaalsContact O-CB 3.23Å; Q257-S260 WeakPolarHBondContact O-CB 3.39Å; Q257-S260 PolarHBondContact O-N 3.03Å; Q257-S260 PolarHBondContact O-OG 2.92Å; Q257-F263 VanDerWaalsContact O-CB 3.3Å; Q257-F263 WeakPolarHBondContact O-CB 3.39Å | ||
| 258 | D | 87.5 | Confident | 87.9 | Confident | 128 Ų | 128 | 46.9 Ų | 46.9 | 68% | 0.684 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | 150.2 | 177.8 | -53.8 | -55.4 | 0 | 0 | 0 | 111.1 | S260 | D258-S260 PolarHBondContact O-N 2.67Š|
| 259 | E | 86.2 | Confident | 88.4 | Confident | 158 Ų | 158 | 46.2 Ų | 46.2 | 74% | 0.738 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.6 | 5.9 | -173.5 | -55.9 | -51.3 | 135.1 | 0 | 0 | 116.8 | ||
| 260 | S | 90.3 | Very high | 88.2 | Confident | 9 Ų | 9 | 51 Ų | 51 | 6% | 0.063 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -78.9 | 162.3 | 178.1 | 73.6 | 0 | 0 | 0 | 0 | 114 | G240 Q257 D258 A262 F263 S264 | G240-S260 PolarHBondContact O-OG 3.43Å; Q257-S260 VanDerWaalsContact O-CB 3.23Å; Q257-S260 WeakPolarHBondContact O-CB 3.39Å; Q257-S260 PolarHBondContact O-N 3.03Å; Q257-S260 PolarHBondContact O-OG 2.92Å; D258-S260 PolarHBondContact O-N 2.67Å; S260-A262 VanDerWaalsContact C-N 3.26Å; S260-A262 PolarHBondContact O-N 3.28Å; S260-A262 VanDerWaalsContact O-N 3.17Å; S260-F263 WeakPolarHBondContact O-CA 3.49Å; S260-F263 WeakPolarHBondContact O-CB 3.44Å; S260-F263 PolarHBondContact O-N 2.89Å; S260-F263 PolarHBondContact OG-N 3.44Å; S260-S264 PolarHBondContact O-N 3.12Å; S260-S264 PolarHBondContact O-OG 2.93Å |
| 261 | P | 90.5 | Very high | 87.9 | Confident | 29 Ų | 29 | 49.9 Ų | 49.9 | 19% | 0.188 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -51.2 | -40 | 175.5 | -31.2 | 38.4 | 0 | 0 | 0 | 114.6 | I231 K233 D238 T265 | I231-P261 HydrophobicContact CG2-CB 3.68Å; K233-P261 HydrophobicContact CB-CB 4.21Å; K233-P261 HydrophobicContact CB-CG 3.81Å; D238-P261 WeakPolarHBondContact O-CD 3.37Å; D238-P261 WeakPolarHBondContact O-CG 3.14Å; P261-T265 WeakPolarHBondContact O-CG2 3.5Å; P261-T265 PolarHBondContact O-N 3.02Å |
| 262 | A | 91.5 | Very high | 87.8 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.8 | -42.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | I231 F239 F241 V256 S260 T265 V268 | I231-A262 HydrophobicContact CD1-CB 4.07Å; F239-A262 WeakPolarHBondContact O-CB 3.27Å; F239-A262 PolarHBondContact O-N 3.34Å; F241-A262 HydrophobicContact CB-CB 4.24Å; F241-A262 HydrophobicContact CD1-CB 3.99Å; V256-A262 HydrophobicContact CG1-CB 3.85Å; S260-A262 VanDerWaalsContact C-N 3.26Å; S260-A262 PolarHBondContact O-N 3.28Å; S260-A262 VanDerWaalsContact O-N 3.17Å; A262-T265 PolarHBondContact O-N 3.13Å; A262-T265 PolarHBondContact O-OG1 3.48Å; A262-V268 HydrophobicContact CB-CB 4.33Å; A262-V268 HydrophobicContact CB-CG2 4.2Å |
| 263 | F | 89.3 | Confident | 87.9 | Confident | 57 Ų | 57 | 49.8 Ų | 49.8 | 25% | 0.25 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62.2 | -44.4 | 175.4 | -177.6 | -95 | 0 | 0 | 0 | 111.6 | V256 Q257 S260 T265 G266 | V256-F263 HydrophobicContact CG1-CB 3.9Å; Q257-F263 VanDerWaalsContact O-CB 3.3Å; Q257-F263 WeakPolarHBondContact O-CB 3.39Å; S260-F263 WeakPolarHBondContact O-CA 3.49Å; S260-F263 WeakPolarHBondContact O-CB 3.44Å; S260-F263 PolarHBondContact O-N 2.89Å; S260-F263 PolarHBondContact OG-N 3.44Å; F263-T265 PolarHBondContact O-N 3.33Å; F263-G266 PolarHBondContact O-N 3.01Å |
| 264 | S | 88.7 | Confident | 88.1 | Confident | 91 Ų | 91 | 49.9 Ų | 49.9 | 64% | 0.636 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -58.8 | -21.6 | 177.3 | -49.3 | 0 | 0 | 0 | 0 | 113.8 | S260 G266 | S260-S264 PolarHBondContact O-N 3.12Å; S260-S264 PolarHBondContact O-OG 2.93Å; S264-G266 VanDerWaalsContact C-N 3.34Å |
| 265 | T | 88.7 | Confident | 88.4 | Confident | 40 Ų | 40 | 47.3 Ų | 47.3 | 25% | 0.245 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -28.3 | 173.4 | 71.5 | 0 | 0 | 0 | 0 | 113.4 | V229 I231 P261 A262 F263 K267 V268 | V229-T265 HydrophobicContact CG1-CG2 4.42Å; I231-T265 HydrophobicContact CB-CG2 4.44Å; I231-T265 HydrophobicContact CG1-CG2 4.12Å; I231-T265 HydrophobicContact CG2-CG2 4.21Å; P261-T265 WeakPolarHBondContact O-CG2 3.5Å; P261-T265 PolarHBondContact O-N 3.02Å; A262-T265 PolarHBondContact O-N 3.13Å; A262-T265 PolarHBondContact O-OG1 3.48Å; F263-T265 PolarHBondContact O-N 3.33Å; T265-K267 PolarHBondContact O-N 3.08Å; T265-K267 VanDerWaalsContact O-N 3.09Å; T265-K267 PolarHBondContact OG1-N 2.71Å; T265-V268 PolarHBondContact OG1-N 3.02Å |
| 266 | G | 86.2 | Confident | 88.9 | Confident | 42 Ų | 42 | 45.9 Ų | 45.9 | 43% | 0.433 | 25% | 0.249 | S | C | . | . | S | Bend | trans | 63.3 | -0.1 | -166.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | F263 S264 | F263-G266 PolarHBondContact O-N 3.01Å; S264-G266 VanDerWaalsContact C-N 3.34Å |
| 267 | K | 89.6 | Confident | 89.3 | Confident | 82 Ų | 82 | 44.3 Ų | 44.3 | 36% | 0.357 | 24% | 0.24 | S | C | . | . | trans | -102.3 | -31.2 | -171.5 | -70.6 | 171.3 | 153.6 | -83.2 | 0 | 113.4 | E227 V229 T265 K307 | E227-K267 WeakPolarHBondContact OE1-CG 3.5Å; E227-K267 IonicContact OE1-NZ 3.67Å; E227-K267 PolarHBondContact OE1-NZ 2.88Å; V229-K267 HydrophobicContact CB-CB 4.41Å; V229-K267 HydrophobicContact CG1-CB 3.78Å; V229-K267 HydrophobicContact CG1-CD 4.22Å; V229-K267 HydrophobicContact CG2-CB 3.75Å; V229-K267 HydrophobicContact CG2-CD 4.39Å; T265-K267 PolarHBondContact O-N 3.08Å; T265-K267 VanDerWaalsContact O-N 3.09Å; T265-K267 PolarHBondContact OG1-N 2.71Å; K267-K307 PolarHBondContact O-NZ 2.8Å | ||
| 268 | V | 91.3 | Very high | 89.6 | Confident | 9 Ų | 9 | 42.9 Ų | 42.9 | 6% | 0.055 | 24% | 0.235 | C | C | . | . | trans | -81.5 | 124.8 | 173.4 | -170.5 | 0 | 0 | 0 | 0 | 108.9 | V229 I231 I253 V256 A262 T265 L305 | V229-V268 HydrophobicContact CG1-CG2 3.89Å; I231-V268 HydrophobicContact CD1-CG2 3.78Å; I231-V268 HydrophobicContact CG1-CG2 4.38Å; I253-V268 HydrophobicContact CG1-CG1 4.26Å; I253-V268 HydrophobicContact CG2-CG1 4.29Å; V256-V268 HydrophobicContact CG2-CB 4.28Å; V256-V268 HydrophobicContact CG2-CG1 3.8Å; A262-V268 HydrophobicContact CB-CB 4.33Å; A262-V268 HydrophobicContact CB-CG2 4.2Å; T265-V268 PolarHBondContact OG1-N 3.02Å; V268-L305 HydrophobicContact CG1-CD1 4.5Å; V268-L305 HydrophobicContact CG2-CD1 4.47Å | ||
| 269 | T | 86.5 | Confident | 89.7 | Confident | 33 Ų | 33 | 44.7 Ų | 44.7 | 20% | 0.202 | 24% | 0.24 | C | C | . | . | trans | -124.2 | 159.4 | 171 | 71.1 | 0 | 0 | 0 | 0 | 110.7 | I253 D272 | I253-T269 WeakPolarHBondContact CB-O 3.4Å; I253-T269 WeakPolarHBondContact CG2-O 3.46Å; T269-D272 WeakPolarHBondContact CA-OD2 3.44Å; T269-D272 WeakPolarHBondContact CB-OD2 3.25Å; T269-D272 PolarHBondContact N-OD2 3.38Å; T269-D272 VanDerWaalsContact OG1-CG 3.23Å; T269-D272 PolarHBondContact OG1-OD1 3.36Å; T269-D272 PolarHBondContact OG1-OD2 2.96Å | ||
| 270 | K | 83.7 | Confident | 90.1 | Very high | 124 Ų | 124 | 38.5 Ų | 38.5 | 54% | 0.539 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49.9 | 148.8 | 163.8 | 178.7 | 169.6 | -172.9 | 171.1 | 0 | 109.2 | V254 D272 R308 | V254-K270 WeakPolarHBondContact O-CD 3.41Å; V254-K270 WeakPolarHBondContact O-CE 3.45Å; V254-K270 VanDerWaalsContact O-CG 3.3Å; V254-K270 WeakPolarHBondContact O-CG 3.25Å; K270-D272 PolarHBondContact O-N 3.43Å; K270-R308 VanDerWaalsContact C-NH2 3.29Å; K270-R308 PolarHBondContact O-NE 3.02Å; K270-R308 VanDerWaalsContact O-NE 3.16Å; K270-R308 PolarHBondContact O-NH1 3.16Å; K270-R308 PolarHBondContact O-NH2 2.96Å |
| 271 | G | 79 | Confident | 90.4 | Very high | 7 Ų | 7 | 38.4 Ų | 38.4 | 7% | 0.072 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.2 | -4 | 172 | 0 | 0 | 0 | 0 | 0 | 117.1 | I253 | I253-G271 PolarHBondContact O-N 3.29Š|
| 272 | D | 88.6 | Confident | 90.6 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | trans | -65.7 | 144.6 | 165.4 | -67.6 | -39.5 | 0 | 0 | 0 | 109.8 | V252 I253 T269 K270 L305 R306 K307 | V252-D272 WeakPolarHBondContact CA-O 3.49Å; I253-D272 HydrophobicContact CG1-CB 4.31Å; I253-D272 PolarHBondContact N-O 3.39Å; T269-D272 WeakPolarHBondContact CA-OD2 3.44Å; T269-D272 WeakPolarHBondContact CB-OD2 3.25Å; T269-D272 PolarHBondContact N-OD2 3.38Å; T269-D272 VanDerWaalsContact OG1-CG 3.23Å; T269-D272 PolarHBondContact OG1-OD1 3.36Å; T269-D272 PolarHBondContact OG1-OD2 2.96Å; K270-D272 PolarHBondContact O-N 3.43Å; D272-L305 HydrophobicContact CB-CB 4.38Å; D272-L305 HydrophobicContact CB-CD1 4.21Å; D272-R306 WeakPolarHBondContact CA-O 3.47Å; D272-K307 WeakPolarHBondContact OD1-CA 3.28Å; D272-K307 WeakPolarHBondContact OD1-CE 3.43Å; D272-K307 IonicContact OD1-NZ 3.53Å; D272-K307 PolarHBondContact OD1-NZ 2.71Å; D272-K307 IonicContact OD2-NZ 3.58Å; D272-K307 PolarHBondContact OD2-NZ 2.75Å | ||
| 273 | E | 90.7 | Very high | 90.7 | Very high | 12 Ų | 12 | 37.6 Ų | 37.6 | 6% | 0.056 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 141.1 | 172.7 | -48.8 | -169.7 | 145.4 | 0 | 0 | 111.2 | R155 I250 H251 V252 L305 R306 | R155-E273 IonicContact CZ-OE1 3.94Å; R155-E273 IonicContact NH1-OE1 3.82Å; R155-E273 PolarHBondContact NH1-OE1 3.08Å; R155-E273 IonicContact NH2-OE1 2.82Å; R155-E273 PolarHBondContact NH2-OE1 2.95Å; I250-E273 HydrophobicContact CG2-CG 4.3Å; I250-E273 VanDerWaalsContact CG2-OE1 3.27Å; I250-E273 WeakPolarHBondContact CG2-OE1 3.26Å; H251-E273 CarbonylContact O-C 3.57Å; H251-E273 VanDerWaalsContact O-CA 3.24Å; H251-E273 WeakPolarHBondContact O-CA 3.09Å; V252-E273 HydrophobicContact CG2-CG 4.48Å; E273-L305 CarbonylContact O-C 3.46Å; E273-L305 WeakPolarHBondContact O-CA 3.49Å; E273-R306 HydrophobicContact CB-CB 3.86Å; E273-R306 HydrophobicContact CG-CB 4.15Å; E273-R306 PolarHBondContact N-O 3.42Å; E273-R306 PolarHBondContact O-N 2.64Å; E273-R306 VanDerWaalsContact OE2-CD 3.31Å; E273-R306 WeakPolarHBondContact OE2-CD 3.24Å |
| 274 | V | 94.1 | Very high | 90.9 | Very high | 5 Ų | 5 | 34.9 Ų | 34.9 | 3% | 0.03 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 112.2 | 169.8 | -173.3 | 0 | 0 | 0 | 0 | 108.9 | H251 I253 V277 V282 M294 L303 L305 | H251-V274 HydrophobicContact CB-CB 4.07Å; H251-V274 PolarHBondContact O-N 3Å; I253-V274 HydrophobicContact CD1-CG2 3.78Å; V274-V277 HydrophobicContact CG1-CG2 3.66Å; V274-V282 HydrophobicContact CG1-CG2 4.12Å; V274-M294 HydrophobicContact CG1-CE 3.9Å; V274-M294 HydrophobicContact CG2-CE 4.14Å; V274-L303 HydrophobicContact CG1-CD2 4.34Å; V274-L305 HydrophobicContact CB-CD2 4.38Å; V274-L305 HydrophobicContact CG2-CD2 3.92Å |
| 275 | I | 94 | Very high | 91.1 | Very high | 5 Ų | 5 | 31.3 Ų | 31.3 | 3% | 0.026 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | -38.4 | 176.4 | -45 | 179.5 | 0 | 0 | 0 | 110.3 | F82 I226 I281 V282 I283 R304 R306 | F82-I275 HydrophobicContact CE1-CD1 4.09Å; F82-I275 HydrophobicContact CZ-CD1 4.23Å; F82-I275 HydrophobicContact CZ-CG2 3.88Å; I226-I275 HydrophobicContact CD1-CD1 3.96Å; I226-I275 HydrophobicContact CG1-CD1 4.09Å; I226-I275 HydrophobicContact CG2-CD1 3.91Å; I275-I281 HydrophobicContact CG2-CD1 3.99Å; I275-V282 WeakPolarHBondContact O-CG2 3.45Å; I275-V282 PolarHBondContact O-N 2.99Å; I275-I283 HydrophobicContact CG2-CD1 3.72Å; I275-I283 HydrophobicContact CG2-CG1 3.84Å; I275-R304 WeakPolarHBondContact CB-O 3.39Å; I275-R304 PolarHBondContact N-O 3.18Å; I275-R306 HydrophobicContact CD1-CB 3.86Å; I275-R306 HydrophobicContact CG1-CB 4.03Å |
| 276 | E | 95.2 | Very high | 91.2 | Very high | 10 Ų | 10 | 31.2 Ų | 31.2 | 5% | 0.047 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 144.1 | -167.5 | -156.2 | -179.7 | 109.3 | 0 | 0 | 110.8 | E279 Q280 I281 L303 R304 | E276-E279 WeakPolarHBondContact OE1-CA 3.19Å; E276-Q280 WeakPolarHBondContact CA-O 2.77Å; E276-Q280 VanDerWaalsContact CG-O 3.31Å; E276-Q280 WeakPolarHBondContact CG-O 3.14Å; E276-I281 HydrophobicContact CB-CD1 3.98Å; E276-I281 HydrophobicContact CG-CD1 3.84Å; E276-I281 HydrophobicContact CG-CG1 4.11Å; E276-I281 WeakPolarHBondContact OE2-CD1 3.39Å; E276-L303 WeakPolarHBondContact O-CA 3.49Å; E276-R304 HydrophobicContact CB-CB 3.59Å; E276-R304 PolarHBondContact N-O 2.85Å; E276-R304 PolarHBondContact O-N 3.35Å; E276-R304 VanDerWaalsContact O-N 3.17Å; E276-R304 IonicContact OE1-CZ 3.5Å; E276-R304 IonicContact OE1-NH1 3.22Å; E276-R304 PolarHBondContact OE1-NH1 3.03Å; E276-R304 IonicContact OE2-CZ 3.69Å; E276-R304 IonicContact OE2-NH1 3.41Å; E276-R304 PolarHBondContact OE2-NH1 3.26Å |
| 277 | V | 95.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 120.1 | 174.1 | -176.5 | 0 | 0 | 0 | 0 | 107.9 | V274 E279 Q280 V282 V290 L293 M294 I301 S302 L303 | V274-V277 HydrophobicContact CG1-CG2 3.66Å; V277-E279 PolarHBondContact O-N 3.37Å; V277-Q280 PolarHBondContact N-O 2.97Å; V277-Q280 WeakPolarHBondContact O-CB 3.45Å; V277-Q280 PolarHBondContact O-N 3.31Å; V277-V282 HydrophobicContact CB-CG1 4.39Å; V277-V282 HydrophobicContact CG2-CG1 4.15Å; V277-V282 HydrophobicContact CG2-CG2 4.24Å; V277-V290 HydrophobicContact CG2-CG1 4.36Å; V277-L293 HydrophobicContact CB-CD2 3.84Å; V277-L293 HydrophobicContact CB-CG 4.2Å; V277-L293 HydrophobicContact CG1-CD2 4.21Å; V277-L293 HydrophobicContact CG1-CG 3.99Å; V277-M294 HydrophobicContact CG1-CG 4.01Å; V277-M294 HydrophobicContact CG2-CE 3.67Å; V277-M294 HydrophobicContact CG2-CG 4.28Å; V277-I301 HydrophobicContact CG1-CD1 3.97Å; V277-I301 HydrophobicContact CG1-CG1 4.12Å; V277-S302 CarbonylContact C-O 3.45Å; V277-S302 WeakPolarHBondContact CA-O 3.29Å; V277-L303 HydrophobicContact CB-CD2 4.34Å; V277-L303 HydrophobicContact CG1-CD2 4.14Å; V277-L303 HydrophobicContact CG2-CD2 3.87Å |
| 278 | N | 93.6 | Very high | 91.6 | Very high | 59 Ų | 59 | 33.5 Ų | 33.5 | 32% | 0.316 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 47.2 | 55.4 | 179.8 | -59 | -22.2 | 0 | 0 | 0 | 113.1 | Q280 S297 S302 | N278-Q280 PolarHBondContact O-N 2.93Å; N278-S297 PolarHBondContact ND2-OG 3.18Å; N278-S302 PolarHBondContact N-O 3.32Å; N278-S302 PolarHBondContact OD1-N 3.34Å |
| 279 | E | 91.3 | Very high | 91.7 | Very high | 165 Ų | 165 | 35.8 Ų | 35.8 | 77% | 0.771 | 17% | 0.167 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 67.1 | -6.9 | 179.7 | -54 | -180 | -176.9 | 0 | 0 | 115.3 | E276 V277 | E276-E279 WeakPolarHBondContact OE1-CA 3.19Å; V277-E279 PolarHBondContact O-N 3.37Å |
| 280 | Q | 94.9 | Very high | 92.1 | Very high | 28 Ų | 28 | 34.2 Ų | 34.2 | 13% | 0.131 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 119.3 | 170 | 179.3 | 56.6 | 54 | 0 | 0 | 111 | S20 E276 V277 N278 V282 W285 L293 | S20-Q280 VanDerWaalsContact CB-OE1 3.29Å; S20-Q280 PolarHBondContact OG-OE1 3.09Å; E276-Q280 WeakPolarHBondContact CA-O 2.77Å; E276-Q280 VanDerWaalsContact CG-O 3.31Å; E276-Q280 WeakPolarHBondContact CG-O 3.14Å; V277-Q280 PolarHBondContact N-O 2.97Å; V277-Q280 WeakPolarHBondContact O-CB 3.45Å; V277-Q280 PolarHBondContact O-N 3.31Å; N278-Q280 PolarHBondContact O-N 2.93Å; Q280-V282 PolarHBondContact O-N 2.77Å; Q280-W285 HydrophobicContact CG-CH2 3.63Å; Q280-W285 HydrophobicContact CG-CZ2 3.67Å; Q280-W285 HydrophobicContact CG-CZ3 4.46Å; Q280-L293 HydrophobicContact CB-CD2 4.03Å; Q280-L293 HydrophobicContact CG-CD2 4.01Å |
| 281 | I | 95.2 | Very high | 92.5 | Very high | 7 Ų | 7 | 29 Ų | 29 | 4% | 0.036 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 127.4 | 171.6 | -71.7 | -77.4 | 0 | 0 | 0 | 109.4 | P7 W13 L75 F79 I275 E276 I283 | P7-I281 HydrophobicContact CB-CD1 3.68Å; P7-I281 HydrophobicContact CG-CD1 4.46Å; W13-I281 HydrophobicContact CH2-CB 4.02Å; W13-I281 HydrophobicContact CH2-CG2 3.8Å; W13-I281 HydrophobicContact CZ2-CB 3.8Å; W13-I281 HydrophobicContact CZ2-CG1 3.81Å; W13-I281 HydrophobicContact CZ2-CG2 3.88Å; L75-I281 HydrophobicContact CD1-CG2 4.26Å; F79-I281 HydrophobicContact CZ-CD1 4.46Å; I275-I281 HydrophobicContact CG2-CD1 3.99Å; E276-I281 HydrophobicContact CB-CD1 3.98Å; E276-I281 HydrophobicContact CG-CD1 3.84Å; E276-I281 HydrophobicContact CG-CG1 4.11Å; E276-I281 WeakPolarHBondContact OE2-CD1 3.39Å; I281-I283 HydrophobicContact CG2-CB 4.08Å; I281-I283 HydrophobicContact CG2-CD1 3.79Å; I281-I283 HydrophobicContact CG2-CG1 3.86Å |
| 282 | V | 95.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 15% | 0.147 | C | C | . | . | trans | -110.5 | 8.8 | -176.7 | -63.8 | 0 | 0 | 0 | 0 | 113.3 | H251 V274 I275 V277 Q280 G284 W285 V290 L293 | H251-V282 PolarHBondContact NE2-O 2.73Å; V274-V282 HydrophobicContact CG1-CG2 4.12Å; I275-V282 WeakPolarHBondContact O-CG2 3.45Å; I275-V282 PolarHBondContact O-N 2.99Å; V277-V282 HydrophobicContact CB-CG1 4.39Å; V277-V282 HydrophobicContact CG2-CG1 4.15Å; V277-V282 HydrophobicContact CG2-CG2 4.24Å; Q280-V282 PolarHBondContact O-N 2.77Å; V282-G284 PolarHBondContact O-N 3.32Å; V282-W285 HydrophobicContact CB-CB 4.37Å; V282-W285 HydrophobicContact CB-CD2 4.23Å; V282-W285 HydrophobicContact CB-CE3 4.48Å; V282-W285 HydrophobicContact CB-CG 4.17Å; V282-W285 HydrophobicContact CG1-CD2 4.06Å; V282-W285 HydrophobicContact CG1-CE3 3.93Å; V282-W285 HydrophobicContact CG1-CZ3 4.38Å; V282-W285 WeakPolarHBondContact O-CB 3.48Å; V282-W285 PolarHBondContact O-N 3.25Å; V282-V290 HydrophobicContact CB-CG1 4.48Å; V282-V290 HydrophobicContact CB-CG2 3.78Å; V282-V290 HydrophobicContact CG1-CG1 4.41Å; V282-V290 HydrophobicContact CG1-CG2 4.03Å; V282-V290 HydrophobicContact CG2-CG1 4.37Å; V282-V290 HydrophobicContact CG2-CG2 4.39Å; V282-L293 HydrophobicContact CG1-CD2 3.83Å | ||
| 283 | I | 93.9 | Very high | 93.4 | Very high | 13 Ų | 13 | 33.1 Ų | 33.1 | 7% | 0.067 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | 116.8 | 177.7 | -60.6 | 164.5 | 0 | 0 | 0 | 109.7 | W21 Q74 L75 Q78 F79 F82 I275 I281 | W21-I283 PolarHBondContact NE1-O 3.38Å; Q74-I283 HydrophobicContact CG-CG2 4.46Å; L75-I283 HydrophobicContact CD1-CB 3.96Å; L75-I283 HydrophobicContact CD1-CD1 3.89Å; L75-I283 HydrophobicContact CD1-CG2 4.13Å; Q78-I283 HydrophobicContact CB-CD1 4.18Å; Q78-I283 HydrophobicContact CB-CG2 4.13Å; Q78-I283 HydrophobicContact CG-CG2 3.97Å; F79-I283 HydrophobicContact CD2-CD1 4.1Å; F79-I283 HydrophobicContact CE2-CD1 3.81Å; F82-I283 HydrophobicContact CZ-CD1 4.06Å; I275-I283 HydrophobicContact CG2-CD1 3.72Å; I275-I283 HydrophobicContact CG2-CG1 3.84Å; I281-I283 HydrophobicContact CG2-CB 4.08Å; I281-I283 HydrophobicContact CG2-CD1 3.79Å; I281-I283 HydrophobicContact CG2-CG1 3.86Å |
| 284 | G | 91.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 87.3 | -1.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | K71 N249 V282 | K71-G284 WeakPolarHBondContact CD-O 3.5Å; N249-G284 VanDerWaalsContact CB-C 3.47Å; N249-G284 WeakPolarHBondContact CB-O 3.45Å; N249-G284 PolarHBondContact ND2-O 3.46Å; N249-G284 PolarHBondContact O-N 2.85Å; V282-G284 PolarHBondContact O-N 3.32Å |
| 285 | W | 94.7 | Very high | 93.2 | Very high | 15 Ų | 15 | 41.7 Ų | 41.7 | 6% | 0.057 | 19% | 0.19 | C | C | . | . | trans | -67.9 | 156.1 | -178.7 | -81 | 26.3 | 0 | 0 | 0 | 113.9 | S20 W21 G24 N249 H251 Q280 V282 R289 V290 L293 | S20-W285 VanDerWaalsContact O-CZ2 3.3Å; S20-W285 WeakPolarHBondContact O-CZ2 3.24Å; W21-W285 AromaticContact CD1-CD1 3.89Å; W21-W285 AromaticContact CD1-NE1 3.41Å; W21-W285 PolarHBondContact O-NE1 2.78Å; G24-W285 CarbonylContact O-C 3.54Å; G24-W285 VanDerWaalsContact O-CA 3.26Å; G24-W285 WeakPolarHBondContact O-CA 3.27Å; N249-W285 WeakPolarHBondContact CB-O 3.31Å; N249-W285 PolarHBondContact ND2-O 3.41Å; H251-W285 PolarHBondContact CE1-O 3.33Å; H251-W285 PolarHBondContact NE2-O 2.99Å; Q280-W285 HydrophobicContact CG-CH2 3.63Å; Q280-W285 HydrophobicContact CG-CZ2 3.67Å; Q280-W285 HydrophobicContact CG-CZ3 4.46Å; V282-W285 HydrophobicContact CB-CB 4.37Å; V282-W285 HydrophobicContact CB-CD2 4.23Å; V282-W285 HydrophobicContact CB-CE3 4.48Å; V282-W285 HydrophobicContact CB-CG 4.17Å; V282-W285 HydrophobicContact CG1-CD2 4.06Å; V282-W285 HydrophobicContact CG1-CE3 3.93Å; V282-W285 HydrophobicContact CG1-CZ3 4.38Å; V282-W285 WeakPolarHBondContact O-CB 3.48Å; V282-W285 PolarHBondContact O-N 3.25Å; W285-R289 HydrophobicContact CE3-CB 3.9Å; W285-R289 HydrophobicContact CZ3-CB 4.32Å; W285-V290 HydrophobicContact CB-CG2 3.5Å; W285-V290 HydrophobicContact CD2-CG2 4.43Å; W285-V290 HydrophobicContact CE3-CG2 4Å; W285-V290 HydrophobicContact CG-CG2 4.3Å; W285-L293 HydrophobicContact CH2-CD2 4.32Å; W285-L293 HydrophobicContact CZ3-CD2 3.89Å | ||
| 286 | L | 90.8 | Very high | 92.9 | Very high | 38 Ų | 38 | 49.2 Ų | 49.2 | 20% | 0.199 | 22% | 0.224 | C | C | . | . | trans | -66 | 142.4 | 170.1 | -63.6 | -177 | 0 | 0 | 0 | 111 | G24 L25 Y288 R289 V290 | G24-L286 PolarHBondContact O-N 3.41Å; L25-L286 WeakPolarHBondContact O-CG 3.17Å; L286-Y288 HydrophobicContact CB-CD1 4.04Å; L286-Y288 HydrophobicContact CB-CE1 3.96Å; L286-Y288 HydrophobicContact CD1-CD1 4.42Å; L286-Y288 HydrophobicContact CD1-CE1 3.61Å; L286-Y288 HydrophobicContact CG-CE1 4.45Å; L286-Y288 PolarHBondContact O-N 2.99Å; L286-Y288 VanDerWaalsContact O-N 3.15Å; L286-R289 HydrophobicContact CB-CG 4.29Å; L286-R289 PolarHBondContact O-N 3.38Å; L286-R289 VanDerWaalsContact O-N 3.1Å; L286-V290 PolarHBondContact O-N 2.9Å | ||
| 287 | H | 90.3 | Very high | 92.5 | Very high | 84 Ų | 84 | 49 Ų | 49 | 39% | 0.389 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -49.4 | -44.2 | -177.7 | 177.4 | 70.7 | 0 | 0 | 0 | 113.1 | F243 S245 V290 A291 | F243-H287 AromaticContact CE2-CE1 3.53Å; F243-H287 AromaticContact CE2-ND1 3.38Å; F243-H287 WeakPolarHBondContact CE2-ND1 3.48Å; F243-H287 AromaticContact CZ-CE1 3.66Å; F243-H287 AromaticContact CZ-ND1 3.84Å; S245-H287 PolarHBondContact OG-ND1 2.96Å; H287-V290 PolarHBondContact O-N 3.44Å; H287-A291 WeakPolarHBondContact O-CB 3.45Å; H287-A291 PolarHBondContact O-N 3.02Å |
| 288 | Y | 92.3 | Very high | 91.9 | Very high | 89 Ų | 89 | 53.1 Ų | 53.1 | 35% | 0.349 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -69.5 | -42.8 | -178.1 | 80.7 | -98.5 | 0 | 0 | 0 | 111.9 | D27 L286 V290 A291 D292 | D27-Y288 PolarHBondContact OD1-OH 3.09Å; D27-Y288 PolarHBondContact OD2-OH 3.46Å; L286-Y288 HydrophobicContact CB-CD1 4.04Å; L286-Y288 HydrophobicContact CB-CE1 3.96Å; L286-Y288 HydrophobicContact CD1-CD1 4.42Å; L286-Y288 HydrophobicContact CD1-CE1 3.61Å; L286-Y288 HydrophobicContact CG-CE1 4.45Å; L286-Y288 PolarHBondContact O-N 2.99Å; L286-Y288 VanDerWaalsContact O-N 3.15Å; Y288-V290 PolarHBondContact O-N 3.22Å; Y288-A291 PolarHBondContact O-N 3.1Å; Y288-D292 WeakPolarHBondContact O-CB 3.39Å; Y288-D292 VanDerWaalsContact O-CG 3.3Å; Y288-D292 PolarHBondContact O-N 2.89Å |
| 289 | R | 94.5 | Very high | 91.6 | Very high | 56 Ų | 56 | 55.2 Ų | 55.2 | 21% | 0.211 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -56.7 | -38 | 176.1 | -66.1 | -76.6 | -173.6 | 137 | 0.3 | 111.3 | S23 D27 E30 W285 L286 L293 | S23-R289 VanDerWaalsContact O-CZ 3.28Å; S23-R289 PolarHBondContact O-NH1 3.13Å; D27-R289 IonicContact OD1-CZ 3.53Å; D27-R289 IonicContact OD1-NE 3.59Å; D27-R289 IonicContact OD1-NH2 3.98Å; D27-R289 PolarHBondContact OD1-NH2 2.92Å; E30-R289 IonicContact OE2-CZ 3.77Å; E30-R289 IonicContact OE2-NH1 3.8Å; E30-R289 PolarHBondContact OE2-NH1 3.04Å; E30-R289 IonicContact OE2-NH2 2.85Å; E30-R289 PolarHBondContact OE2-NH2 2.79Å; W285-R289 HydrophobicContact CE3-CB 3.9Å; W285-R289 HydrophobicContact CZ3-CB 4.32Å; L286-R289 HydrophobicContact CB-CG 4.29Å; L286-R289 PolarHBondContact O-N 3.38Å; L286-R289 VanDerWaalsContact O-N 3.1Å; R289-L293 WeakPolarHBondContact O-CB 3.43Å; R289-L293 PolarHBondContact O-N 3.14Å; R289-L293 VanDerWaalsContact O-N 3.1Å |
| 290 | V | 94.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -71.9 | -43.5 | 173.7 | -177.4 | 0 | 0 | 0 | 0 | 112.3 | F243 H251 V277 V282 W285 L286 H287 Y288 D292 L293 M294 | F243-V290 HydrophobicContact CE2-CB 4.28Å; F243-V290 HydrophobicContact CE2-CG1 4Å; F243-V290 HydrophobicContact CZ-CB 4.14Å; F243-V290 HydrophobicContact CZ-CG1 3.89Å; H251-V290 VanDerWaalsContact CE1-CG2 3.48Å; H251-V290 WeakPolarHBondContact CE1-CG2 3.36Å; V277-V290 HydrophobicContact CG2-CG1 4.36Å; V282-V290 HydrophobicContact CB-CG1 4.48Å; V282-V290 HydrophobicContact CB-CG2 3.78Å; V282-V290 HydrophobicContact CG1-CG1 4.41Å; V282-V290 HydrophobicContact CG1-CG2 4.03Å; V282-V290 HydrophobicContact CG2-CG1 4.37Å; V282-V290 HydrophobicContact CG2-CG2 4.39Å; W285-V290 HydrophobicContact CB-CG2 3.5Å; W285-V290 HydrophobicContact CD2-CG2 4.43Å; W285-V290 HydrophobicContact CE3-CG2 4Å; W285-V290 HydrophobicContact CG-CG2 4.3Å; L286-V290 PolarHBondContact O-N 2.9Å; H287-V290 PolarHBondContact O-N 3.44Å; Y288-V290 PolarHBondContact O-N 3.22Å; V290-D292 VanDerWaalsContact C-N 3.29Å; V290-D292 PolarHBondContact O-N 3.42Å; V290-L293 PolarHBondContact O-N 3.16Å; V290-M294 HydrophobicContact CG1-CE 3.96Å; V290-M294 WeakPolarHBondContact O-CG 3.31Å; V290-M294 PolarHBondContact O-N 3.43Å |
| 291 | A | 91.9 | Very high | 91.6 | Very high | 14 Ų | 14 | 49.2 Ų | 49.2 | 12% | 0.116 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.7 | -38.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | F243 H287 Y288 M294 R295 | F243-A291 HydrophobicContact CE1-CB 4.19Å; F243-A291 HydrophobicContact CZ-CB 3.96Å; H287-A291 WeakPolarHBondContact O-CB 3.45Å; H287-A291 PolarHBondContact O-N 3.02Å; Y288-A291 PolarHBondContact O-N 3.1Å; A291-M294 PolarHBondContact O-N 3.5Å; A291-R295 WeakPolarHBondContact O-CD 3.28Å; A291-R295 VanDerWaalsContact O-CG 3.24Å; A291-R295 WeakPolarHBondContact O-CG 3.38Å; A291-R295 PolarHBondContact O-N 3.22Å |
| 292 | D | 92.6 | Very high | 91.6 | Very high | 52 Ų | 52 | 49.6 Ų | 49.6 | 28% | 0.278 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -70.8 | -41.5 | 177.2 | -64.9 | -33.3 | 0 | 0 | 0 | 111.5 | Y288 V290 M294 R295 H296 | Y288-D292 WeakPolarHBondContact O-CB 3.39Å; Y288-D292 VanDerWaalsContact O-CG 3.3Å; Y288-D292 PolarHBondContact O-N 2.89Å; V290-D292 VanDerWaalsContact C-N 3.29Å; V290-D292 PolarHBondContact O-N 3.42Å; D292-M294 VanDerWaalsContact C-N 3.27Å; D292-M294 PolarHBondContact O-N 3.07Å; D292-R295 PolarHBondContact O-N 3.05Å; D292-R295 VanDerWaalsContact O-N 3.09Å; D292-R295 WeakPolarHBondContact OD1-CD 3.27Å; D292-R295 IonicContact OD1-CZ 2.67Å; D292-R295 IonicContact OD1-NE 2.75Å; D292-R295 IonicContact OD1-NH1 2.83Å; D292-R295 PolarHBondContact OD1-NH1 3.42Å; D292-H296 PolarHBondContact O-N 3.3Å; D292-H296 VanDerWaalsContact O-N 3.07Å; D292-H296 PolarHBondContact O-ND1 3.17Å |
| 293 | L | 93.6 | Very high | 91.6 | Very high | 43 Ų | 43 | 49.6 Ų | 49.6 | 23% | 0.225 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -57.9 | -38.7 | 171.3 | -179.2 | 61.2 | 0 | 0 | 0 | 112.3 | V277 Q280 V282 W285 R289 V290 S297 | V277-L293 HydrophobicContact CB-CD2 3.84Å; V277-L293 HydrophobicContact CB-CG 4.2Å; V277-L293 HydrophobicContact CG1-CD2 4.21Å; V277-L293 HydrophobicContact CG1-CG 3.99Å; Q280-L293 HydrophobicContact CB-CD2 4.03Å; Q280-L293 HydrophobicContact CG-CD2 4.01Å; V282-L293 HydrophobicContact CG1-CD2 3.83Å; W285-L293 HydrophobicContact CH2-CD2 4.32Å; W285-L293 HydrophobicContact CZ3-CD2 3.89Å; R289-L293 WeakPolarHBondContact O-CB 3.43Å; R289-L293 PolarHBondContact O-N 3.14Å; R289-L293 VanDerWaalsContact O-N 3.1Å; V290-L293 PolarHBondContact O-N 3.16Å; L293-S297 PolarHBondContact O-OG 3.02Å |
| 294 | M | 92.2 | Very high | 91.5 | Very high | 15 Ų | 15 | 50.2 Ų | 50.2 | 7% | 0.074 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -67.9 | -41.1 | 172.4 | -66.1 | -175.7 | 175.4 | 0 | 0 | 112.5 | F241 F243 V274 V277 V290 A291 D292 H296 S297 I301 L303 | F241-M294 HydrophobicContact CE2-CE 4.14Å; F241-M294 HydrophobicContact CE2-SD 3.76Å; F241-M294 HydrophobicContact CZ-CE 4.37Å; F241-M294 HydrophobicContact CZ-SD 3.87Å; F243-M294 HydrophobicContact CD1-CE 4.33Å; F243-M294 HydrophobicContact CD1-SD 3.84Å; F243-M294 HydrophobicContact CE1-CE 4.27Å; F243-M294 HydrophobicContact CE1-SD 3.55Å; F243-M294 VanDerWaalsContact CE1-SD 3.55Å; F243-M294 HydrophobicContact CZ-SD 4.27Å; V274-M294 HydrophobicContact CG1-CE 3.9Å; V274-M294 HydrophobicContact CG2-CE 4.14Å; V277-M294 HydrophobicContact CG1-CG 4.01Å; V277-M294 HydrophobicContact CG2-CE 3.67Å; V277-M294 HydrophobicContact CG2-CG 4.28Å; V290-M294 HydrophobicContact CG1-CE 3.96Å; V290-M294 WeakPolarHBondContact O-CG 3.31Å; V290-M294 PolarHBondContact O-N 3.43Å; A291-M294 PolarHBondContact O-N 3.5Å; D292-M294 VanDerWaalsContact C-N 3.27Å; D292-M294 PolarHBondContact O-N 3.07Å; M294-H296 VanDerWaalsContact C-N 3.34Å; M294-H296 PolarHBondContact O-N 3.43Å; M294-S297 WeakPolarHBondContact O-CB 3.48Å; M294-S297 PolarHBondContact O-N 3.04Å; M294-S297 PolarHBondContact O-OG 2.7Å; M294-I301 HydrophobicContact CB-CD1 4.01Å; M294-I301 HydrophobicContact CG-CD1 3.88Å; M294-L303 HydrophobicContact CE-CD2 4.1Å |
| 295 | R | 88.6 | Confident | 91.6 | Very high | 183 Ų | 183 | 50.2 Ų | 50.2 | 69% | 0.691 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -62.6 | -34.6 | 179.6 | -76.4 | 161.5 | 173.9 | 165.3 | -3.4 | 113.8 | A291 D292 S297 | A291-R295 WeakPolarHBondContact O-CD 3.28Å; A291-R295 VanDerWaalsContact O-CG 3.24Å; A291-R295 WeakPolarHBondContact O-CG 3.38Å; A291-R295 PolarHBondContact O-N 3.22Å; D292-R295 PolarHBondContact O-N 3.05Å; D292-R295 VanDerWaalsContact O-N 3.09Å; D292-R295 WeakPolarHBondContact OD1-CD 3.27Å; D292-R295 IonicContact OD1-CZ 2.67Å; D292-R295 IonicContact OD1-NE 2.75Å; D292-R295 IonicContact OD1-NH1 2.83Å; D292-R295 PolarHBondContact OD1-NH1 3.42Å; R295-S297 PolarHBondContact O-N 3.25Å |
| 296 | H | 88.2 | Confident | 91.3 | Very high | 163 Ų | 163 | 50.1 Ų | 50.1 | 76% | 0.755 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70 | -5.7 | 175.6 | -68.2 | 90.7 | 0 | 0 | 0 | 113.3 | D292 M294 S298 | D292-H296 PolarHBondContact O-N 3.3Å; D292-H296 VanDerWaalsContact O-N 3.07Å; D292-H296 PolarHBondContact O-ND1 3.17Å; M294-H296 VanDerWaalsContact C-N 3.34Å; M294-H296 PolarHBondContact O-N 3.43Å; H296-S298 PolarHBondContact O-N 3.34Å |
| 297 | S | 87.3 | Confident | 91 | Very high | 6 Ų | 6 | 50 Ų | 50 | 4% | 0.042 | 23% | 0.234 | C | C | . | . | trans | -83 | 91.9 | 175.8 | -53.2 | 0 | 0 | 0 | 0 | 110.8 | F239 N278 L293 M294 R295 | F239-S297 VanDerWaalsContact CE2-O 3.24Å; F239-S297 WeakPolarHBondContact CE2-O 3.16Å; F239-S297 VanDerWaalsContact CZ-O 3.27Å; F239-S297 WeakPolarHBondContact CZ-O 3.47Å; N278-S297 PolarHBondContact ND2-OG 3.18Å; L293-S297 PolarHBondContact O-OG 3.02Å; M294-S297 WeakPolarHBondContact O-CB 3.48Å; M294-S297 PolarHBondContact O-N 3.04Å; M294-S297 PolarHBondContact O-OG 2.7Å; R295-S297 PolarHBondContact O-N 3.25Å | ||
| 298 | S | 82 | Confident | 90.1 | Very high | 85 Ų | 85 | 48.7 Ų | 48.7 | 59% | 0.594 | 23% | 0.226 | S | C | * | . | S | Bend | trans | -67.3 | -50.2 | -171.4 | 56.7 | 0 | 0 | 0 | 0 | 114.8 | K233 H296 | K233-S298 WeakPolarHBondContact CE-O 3.33Å; H296-S298 PolarHBondContact O-N 3.34Å |
| 299 | Q | 87.8 | Confident | 88.9 | Confident | 104 Ų | 104 | 44.8 Ų | 44.8 | 49% | 0.486 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -121.5 | -31.3 | -175.7 | -70.5 | 178.7 | -11 | 0 | 0 | 113.8 | R232 K233 D235 | R232-Q299 WeakPolarHBondContact CA-O 3.41Å; K233-Q299 PolarHBondContact N-O 2.76Å; D235-Q299 VanDerWaalsContact OD1-CG 3.27Å; D235-Q299 WeakPolarHBondContact OD1-CG 3.44Å; D235-Q299 PolarHBondContact OD1-NE2 3.2Å |
| 300 | H | 91.7 | Very high | 87.2 | Confident | 66 Ų | 66 | 45.2 Ų | 45.2 | 31% | 0.306 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 137.4 | -174.6 | 172.7 | -85.2 | 0 | 0 | 0 | 110 | Q230 I231 R232 | Q230-H300 WeakPolarHBondContact CG-NE2 3.34Å; I231-H300 WeakPolarHBondContact O-CA 3.43Å; R232-H300 HydrophobicContact CG-CB 4.29Å |
| 301 | I | 94.4 | Very high | 85 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 134.1 | 170 | -166 | 170.1 | 0 | 0 | 0 | 110.6 | I231 F239 V277 M294 L303 | I231-I301 HydrophobicContact CB-CG2 3.83Å; I231-I301 HydrophobicContact CD1-CG2 4.03Å; I231-I301 HydrophobicContact CG1-CG2 4.12Å; I231-I301 PolarHBondContact N-O 3.39Å; I231-I301 PolarHBondContact O-N 3.05Å; F239-I301 HydrophobicContact CD1-CG2 3.62Å; F239-I301 HydrophobicContact CD2-CG2 4.1Å; F239-I301 HydrophobicContact CE1-CB 3.98Å; F239-I301 HydrophobicContact CE1-CG2 3.47Å; F239-I301 VanDerWaalsContact CE1-CG2 3.47Å; F239-I301 HydrophobicContact CE2-CB 4.04Å; F239-I301 HydrophobicContact CE2-CD1 4.37Å; F239-I301 HydrophobicContact CE2-CG2 3.97Å; F239-I301 HydrophobicContact CG-CG2 3.95Å; F239-I301 HydrophobicContact CZ-CB 3.7Å; F239-I301 HydrophobicContact CZ-CG2 3.66Å; V277-I301 HydrophobicContact CG1-CD1 3.97Å; V277-I301 HydrophobicContact CG1-CG1 4.12Å; M294-I301 HydrophobicContact CB-CD1 4.01Å; M294-I301 HydrophobicContact CG-CD1 3.88Å; I301-L303 HydrophobicContact CD1-CD2 3.89Å; I301-L303 HydrophobicContact CD1-CG 4.48Å; I301-L303 HydrophobicContact CG1-CD2 3.93Å; I301-L303 HydrophobicContact CG1-CG 4.26Å |
| 302 | S | 94.5 | Very high | 82.8 | Confident | 15 Ų | 15 | 52.9 Ų | 52.9 | 11% | 0.105 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 116.5 | 176.4 | -120.5 | 0 | 0 | 0 | 0 | 108.2 | M228 V277 N278 | M228-S302 VanDerWaalsContact CE-OG 3.31Å; M228-S302 WeakPolarHBondContact CE-OG 3.48Å; V277-S302 CarbonylContact C-O 3.45Å; V277-S302 WeakPolarHBondContact CA-O 3.29Å; N278-S302 PolarHBondContact N-O 3.32Å; N278-S302 PolarHBondContact OD1-N 3.34Å |
| 303 | L | 95.4 | Very high | 80.1 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 122.9 | 179 | -60.3 | 179.1 | 0 | 0 | 0 | 110.5 | M228 V229 I231 F241 V274 E276 V277 M294 I301 L305 | M228-L303 WeakPolarHBondContact CE-O 3.35Å; V229-L303 PolarHBondContact N-O 2.93Å; V229-L303 PolarHBondContact O-N 3.41Å; I231-L303 HydrophobicContact CD1-CD1 3.91Å; F241-L303 HydrophobicContact CE1-CD1 4.04Å; F241-L303 HydrophobicContact CE2-CD1 4.4Å; F241-L303 HydrophobicContact CZ-CD1 3.77Å; V274-L303 HydrophobicContact CG1-CD2 4.34Å; E276-L303 WeakPolarHBondContact O-CA 3.49Å; V277-L303 HydrophobicContact CB-CD2 4.34Å; V277-L303 HydrophobicContact CG1-CD2 4.14Å; V277-L303 HydrophobicContact CG2-CD2 3.87Å; M294-L303 HydrophobicContact CE-CD2 4.1Å; I301-L303 HydrophobicContact CD1-CD2 3.89Å; I301-L303 HydrophobicContact CD1-CG 4.48Å; I301-L303 HydrophobicContact CG1-CD2 3.93Å; I301-L303 HydrophobicContact CG1-CG 4.26Å; L303-L305 HydrophobicContact CB-CD2 4.02Å; L303-L305 HydrophobicContact CB-CG 4.27Å |
| 304 | R | 93.5 | Very high | 77.6 | Confident | 27 Ų | 27 | 58.2 Ų | 58.2 | 10% | 0.102 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 115.8 | 167 | -167.3 | 174.1 | -98.1 | 114.5 | 6.8 | 108.2 | F4 E5 I226 M228 I275 E276 | F4-R304 PolarHBondContact O-NH2 3.08Å; E5-R304 WeakPolarHBondContact O-CD 3.44Å; E5-R304 PolarHBondContact O-NE 3.27Å; I226-R304 HydrophobicContact CG2-CG 3.51Å; M228-R304 HydrophobicContact SD-CB 4.03Å; M228-R304 HydrophobicContact SD-CG 4.44Å; I275-R304 WeakPolarHBondContact CB-O 3.39Å; I275-R304 PolarHBondContact N-O 3.18Å; E276-R304 HydrophobicContact CB-CB 3.59Å; E276-R304 PolarHBondContact N-O 2.85Å; E276-R304 PolarHBondContact O-N 3.35Å; E276-R304 VanDerWaalsContact O-N 3.17Å; E276-R304 IonicContact OE1-CZ 3.5Å; E276-R304 IonicContact OE1-NH1 3.22Å; E276-R304 PolarHBondContact OE1-NH1 3.03Å; E276-R304 IonicContact OE2-CZ 3.69Å; E276-R304 IonicContact OE2-NH1 3.41Å; E276-R304 PolarHBondContact OE2-NH1 3.26Å |
| 305 | L | 92.7 | Very high | 74.9 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 134.5 | -171 | -60.2 | -176.2 | 0 | 0 | 0 | 111.7 | I226 E227 V229 V268 D272 E273 V274 L303 K307 | I226-L305 WeakPolarHBondContact CA-O 3.5Å; E227-L305 PolarHBondContact N-O 2.82Å; E227-L305 PolarHBondContact O-N 2.78Å; V229-L305 HydrophobicContact CG2-CD1 3.89Å; V229-L305 HydrophobicContact CG2-CG 4.28Å; V268-L305 HydrophobicContact CG1-CD1 4.5Å; V268-L305 HydrophobicContact CG2-CD1 4.47Å; D272-L305 HydrophobicContact CB-CB 4.38Å; D272-L305 HydrophobicContact CB-CD1 4.21Å; E273-L305 CarbonylContact O-C 3.46Å; E273-L305 WeakPolarHBondContact O-CA 3.49Å; V274-L305 HydrophobicContact CB-CD2 4.38Å; V274-L305 HydrophobicContact CG2-CD2 3.92Å; L303-L305 HydrophobicContact CB-CD2 4.02Å; L303-L305 HydrophobicContact CB-CG 4.27Å; L305-K307 HydrophobicContact CB-CD 4.26Å; L305-K307 PolarHBondContact O-N 3.48Å |
| 306 | R | 88 | Confident | 72.1 | Confident | 12 Ų | 12 | 64.2 Ų | 64.2 | 5% | 0.045 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 111.4 | 164 | -159.9 | 177.1 | 175.3 | 171.9 | -9.4 | 107.2 | S81 E85 C224 D272 E273 I275 | S81-R306 PolarHBondContact OG-NH1 3.41Å; E85-R306 IonicContact OE2-CZ 3.14Å; E85-R306 IonicContact OE2-NH1 2.86Å; E85-R306 IonicContact OE2-NH2 3.55Å; E85-R306 PolarHBondContact OE2-NH2 2.82Å; C224-R306 HydrophobicContact CB-CG 3.93Å; D272-R306 WeakPolarHBondContact CA-O 3.47Å; E273-R306 HydrophobicContact CB-CB 3.86Å; E273-R306 HydrophobicContact CG-CB 4.15Å; E273-R306 PolarHBondContact N-O 3.42Å; E273-R306 PolarHBondContact O-N 2.64Å; E273-R306 VanDerWaalsContact OE2-CD 3.31Å; E273-R306 WeakPolarHBondContact OE2-CD 3.24Å; I275-R306 HydrophobicContact CD1-CB 3.86Å; I275-R306 HydrophobicContact CG1-CB 4.03Å |
| 307 | K | 85.1 | Confident | 69.2 | Low | 36 Ų | 36 | 59.1 Ų | 59.1 | 16% | 0.157 | 33% | 0.325 | C | S | . | . | P | Polyproline II helix | trans | -78.6 | 148.3 | -178.3 | -59.3 | -61.1 | -68 | 177.9 | 0 | 110.3 | C224 G225 E227 K267 D272 L305 | C224-K307 WeakPolarHBondContact CA-O 3.41Å; C224-K307 VanDerWaalsContact CB-O 3.26Å; C224-K307 WeakPolarHBondContact CB-O 3.47Å; G225-K307 PolarHBondContact O-N 2.83Å; E227-K307 HydrophobicContact CB-CD 3.77Å; E227-K307 HydrophobicContact CB-CG 3.6Å; E227-K307 VanDerWaalsContact OE2-CD 3.3Å; E227-K307 WeakPolarHBondContact OE2-CD 3.44Å; E227-K307 WeakPolarHBondContact OE2-CE 3.39Å; E227-K307 IonicContact OE2-NZ 2.73Å; E227-K307 PolarHBondContact OE2-NZ 3.47Å; K267-K307 PolarHBondContact O-NZ 2.8Å; D272-K307 WeakPolarHBondContact OD1-CA 3.28Å; D272-K307 WeakPolarHBondContact OD1-CE 3.43Å; D272-K307 IonicContact OD1-NZ 3.53Å; D272-K307 PolarHBondContact OD1-NZ 2.71Å; D272-K307 IonicContact OD2-NZ 3.58Å; D272-K307 PolarHBondContact OD2-NZ 2.75Å; L305-K307 HydrophobicContact CB-CD 4.26Å; L305-K307 PolarHBondContact O-N 3.48Å |
| 308 | R | 71.1 | Confident | 66.7 | Low | 56 Ų | 56 | 66.6 Ų | 66.6 | 21% | 0.211 | 36% | 0.357 | C | S | . | . | P | Polyproline II helix | trans | -58.4 | 153.6 | 168.4 | -67.5 | 160.9 | 164.9 | 171.1 | -1.4 | 110.9 | P156 K270 S310 | P156-R308 WeakPolarHBondContact O-CD 3.35Å; P156-R308 WeakPolarHBondContact O-CG 3.04Å; P156-R308 PolarHBondContact O-NE 2.96Å; K270-R308 VanDerWaalsContact C-NH2 3.29Å; K270-R308 PolarHBondContact O-NE 3.02Å; K270-R308 VanDerWaalsContact O-NE 3.16Å; K270-R308 PolarHBondContact O-NH1 3.16Å; K270-R308 PolarHBondContact O-NH2 2.96Å; R308-S310 PolarHBondContact O-N 3.29Å |
| 309 | P | 66.6 | Low | 64.3 | Low | 8 Ų | 8 | 69 Ų | 69 | 5% | 0.052 | 37% | 0.371 | C | S | . | . | P | Polyproline II helix | trans | -59.7 | 132 | 158.8 | -16.6 | 31.6 | 0 | 0 | 0 | 109.2 | W152 P157 F158 I219 T222 | W152-P309 HydrophobicContact CE3-CG 4.08Å; W152-P309 HydrophobicContact CH2-CG 4.1Å; W152-P309 HydrophobicContact CZ3-CG 3.42Å; W152-P309 VanDerWaalsContact CZ3-CG 3.42Å; P157-P309 WeakPolarHBondContact CD-O 3.15Å; F158-P309 HydrophobicContact CE2-CG 4.13Å; I219-P309 HydrophobicContact CG1-CB 4.12Å; T222-P309 HydrophobicContact CG2-CB 4.01Å |
| 310 | S | 59.1 | Low | 61.5 | Low | 65 Ų | 65 | 66.9 Ų | 66.9 | 46% | 0.455 | 38% | 0.377 | S | S | . | . | trans | -141.8 | 150 | 175.8 | 59.1 | 0 | 0 | 0 | 0 | 108.9 | R308 D314 | R308-S310 PolarHBondContact O-N 3.29Å; S310-D314 WeakPolarHBondContact CB-OD2 3.4Å | ||
| 311 | H | 49.5 | Very low | 58.6 | Low | 58 Ų | 58 | 66.1 Ų | 66.1 | 27% | 0.269 | 38% | 0.382 | S | S | . | . | trans | -65.9 | 150 | 172.3 | -56.4 | -88 | 0 | 0 | 0 | 109.8 | D217 I219 N313 D314 | D217-H311 IonicContact OD1-CE1 2.76Å; D217-H311 PolarHBondContact OD1-CE1 3.22Å; D217-H311 VanDerWaalsContact OD1-CE1 3.24Å; D217-H311 IonicContact OD2-CE1 3.47Å; I219-H311 WeakPolarHBondContact CD1-NE2 3.46Å; H311-N313 PolarHBondContact O-N 2.97Å; H311-D314 IonicContact CD2-OD2 2.72Å; H311-D314 IonicContact CG-OD2 3.23Å; H311-D314 PolarHBondContact N-OD2 2.88Å; H311-D314 WeakPolarHBondContact O-CB 3.04Å; H311-D314 PolarHBondContact O-N 2.81Å | ||
| 312 | S | 44 | Very low | 55.4 | Low | 117 Ų | 117 | 69.9 Ų | 69.9 | 82% | 0.818 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -13.5 | 175.6 | 49.1 | 0 | 0 | 0 | 0 | 114.2 | ||
| 313 | N | 36.5 | Very low | 52.4 | Low | 127 Ų | 127 | 81 Ų | 81 | 68% | 0.679 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | -14.5 | 176.7 | -64.6 | -41.7 | 0 | 0 | 0 | 114.1 | H311 F315 I316 | H311-N313 PolarHBondContact O-N 2.97Å; N313-F315 PolarHBondContact O-N 3.04Å; N313-F315 VanDerWaalsContact O-N 3.15Å; N313-I316 PolarHBondContact O-N 2.95Å |
| 314 | D | 41.8 | Very low | 49.3 | Very low | 79 Ų | 79 | 92.6 Ų | 92.6 | 42% | 0.422 | 50% | 0.504 | S | S | . | . | G | 310 helix | trans | -70.2 | -12.8 | -173.5 | -64.3 | -23.8 | 0 | 0 | 0 | 113 | S310 H311 I316 G317 | S310-D314 WeakPolarHBondContact CB-OD2 3.4Å; H311-D314 IonicContact CD2-OD2 2.72Å; H311-D314 IonicContact CG-OD2 3.23Å; H311-D314 PolarHBondContact N-OD2 2.88Å; H311-D314 WeakPolarHBondContact O-CB 3.04Å; H311-D314 PolarHBondContact O-N 2.81Å; D314-I316 PolarHBondContact O-N 2.85Å; D314-G317 PolarHBondContact O-N 3.14Å |
| 315 | F | 35.4 | Very low | 46.1 | Very low | 199 Ų | 199 | 99.6 Ų | 99.6 | 87% | 0.873 | 54% | 0.537 | S | S | * | . | G | 310 helix | trans | -67.6 | 8.3 | 174.6 | -141.1 | -93.3 | 0 | 0 | 0 | 114.2 | N313 | N313-F315 PolarHBondContact O-N 3.04Å; N313-F315 VanDerWaalsContact O-N 3.15Å |
| 316 | I | 28.7 | Very low | 43 | Very low | 126 Ų | 126 | 109.4 Ų | 109.4 | 65% | 0.646 | 57% | 0.574 | S | S | * | * | G | 310 helix | trans | -131.3 | 38.7 | 177.3 | -38.1 | -177.5 | 0 | 0 | 0 | 110.1 | N313 D314 | N313-I316 PolarHBondContact O-N 2.95Å; D314-I316 PolarHBondContact O-N 2.85Å |
| 317 | G | 27.6 | Very low | 40 | Very low | 55 Ų | 55 | 116 Ų | 116 | 57% | 0.567 | 61% | 0.61 | S | S | * | * | trans | -123.4 | -8.3 | -163.2 | 0 | 0 | 0 | 0 | 0 | 119.8 | D314 | D314-G317 PolarHBondContact O-N 3.14Š| ||
| 318 | F | 34.3 | Very low | 37.3 | Very low | 163 Ų | 163 | 119.7 Ų | 119.7 | 72% | 0.715 | 63% | 0.63 | S | S | * | * | trans | -106.8 | 117.6 | -177.9 | -89.1 | -82.1 | 0 | 0 | 0 | 113.7 | G320 | F318-G320 PolarHBondContact O-N 2.97Š| ||
| 319 | P | 31.9 | Very low | 35.3 | Very low | 137 Ų | 137 | 123.5 Ų | 123.5 | 89% | 0.89 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -77.5 | 71.7 | 170.2 | 33.6 | -34.3 | 0 | 0 | 0 | 110.4 | ||
| 320 | G | 30.8 | Very low | 33.5 | Very low | 58 Ų | 58 | 129.5 Ų | 129.5 | 60% | 0.598 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -179.5 | -37.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | F318 | F318-G320 PolarHBondContact O-N 2.97Š|
| 321 | A | 29.2 | Very low | 32.1 | Very low | 50 Ų | 50 | 134.9 Ų | 134.9 | 41% | 0.413 | 71% | 0.709 | S | S | . | * | S | Bend | trans | -108.6 | 124.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 322 | G | 28 | Very low | 31.2 | Very low | 79 Ų | 79 | 139.8 Ų | 139.8 | 81% | 0.814 | 74% | 0.736 | S | S | * | * | S | Bend | trans | 109.8 | -2.6 | 155.5 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||
| 323 | R | 31.5 | Very low | 30.5 | Very low | 248 Ų | 248 | 139.5 Ų | 139.5 | 94% | 0.936 | 73% | 0.731 | S | S | * | * | trans | -94.5 | 107.4 | 158.6 | -88.3 | -159.5 | 176.5 | -152.8 | 0.9 | 110.3 | H325 | R323-H325 VanDerWaalsContact C-N 3.32Å; R323-H325 PolarHBondContact O-N 3.28Å | ||
| 324 | R | 29.5 | Very low | 30.4 | Very low | 245 Ų | 245 | 139.4 Ų | 139.4 | 93% | 0.925 | 74% | 0.737 | S | S | * | * | trans | -65.7 | 84.5 | 175 | -66.4 | 177.5 | 176.6 | 172.7 | -2.3 | 111.1 | R326 | R324-R326 PolarHBondContact O-N 3.36Š| ||
| 325 | H | 27.4 | Very low | 29.7 | Very low | 173 Ų | 173 | 140.9 Ų | 140.9 | 80% | 0.801 | 76% | 0.76 | S | S | * | * | trans | -70.9 | 87.3 | 151.6 | -117 | -84.8 | 0 | 0 | 0 | 107.6 | R323 L327 | R323-H325 VanDerWaalsContact C-N 3.32Å; R323-H325 PolarHBondContact O-N 3.28Å; H325-L327 PolarHBondContact O-N 3.35Å | ||
| 326 | R | 27 | Very low | 29.5 | Very low | 206 Ų | 206 | 134.9 Ų | 134.9 | 78% | 0.777 | 75% | 0.754 | S | S | * | * | trans | -63.4 | 94.1 | 164.7 | -176 | -174.4 | -174.6 | 170.5 | 2 | 105.9 | R324 I328 | R324-R326 PolarHBondContact O-N 3.36Å; R326-I328 HydrophobicContact CG-CG1 3.86Å; R326-I328 PolarHBondContact O-N 3.32Å | ||
| 327 | L | 25.8 | Very low | 29.7 | Very low | 152 Ų | 152 | 134.9 Ų | 134.9 | 80% | 0.796 | 77% | 0.766 | S | S | * | * | trans | -64.5 | 89.8 | 168.2 | -79.7 | 171.6 | 0 | 0 | 0 | 107.3 | H325 V329 | H325-L327 PolarHBondContact O-N 3.35Å; L327-V329 PolarHBondContact O-N 3.1Å | ||
| 328 | I | 28.5 | Very low | 29.8 | Very low | 112 Ų | 112 | 139.5 Ų | 139.5 | 57% | 0.574 | 78% | 0.777 | S | S | * | * | trans | -71 | 89.6 | 168 | -62.9 | 178.5 | 0 | 0 | 0 | 105.5 | R326 N330 | R326-I328 HydrophobicContact CG-CG1 3.86Å; R326-I328 PolarHBondContact O-N 3.32Å; I328-N330 HydrophobicContact CG2-CB 3.79Å; I328-N330 PolarHBondContact O-N 3.43Å | ||
| 329 | V | 27.9 | Very low | 29.9 | Very low | 136 Ų | 136 | 136.8 Ų | 136.8 | 82% | 0.824 | 78% | 0.778 | S | S | * | * | trans | -67.6 | 88.1 | 154.6 | 178.5 | 0 | 0 | 0 | 0 | 105.7 | L327 | L327-V329 PolarHBondContact O-N 3.1Š| ||
| 330 | N | 29.7 | Very low | 30 | Very low | 135 Ų | 135 | 138.8 Ų | 138.8 | 72% | 0.722 | 78% | 0.775 | S | S | * | * | trans | -138.2 | 128.1 | 158.2 | -92.2 | -21.9 | 0 | 0 | 0 | 109.4 | I328 | I328-N330 HydrophobicContact CG2-CB 3.79Å; I328-N330 PolarHBondContact O-N 3.43Å | ||
| 331 | Q | 30.4 | Very low | 30.1 | Very low | 178 Ų | 178 | 141.5 Ų | 141.5 | 83% | 0.832 | 78% | 0.781 | S | S | * | * | trans | -34.9 | 148 | 173.2 | -63.9 | 154.8 | -4.6 | 0 | 0 | 115.8 | P333 | Q331-P333 WeakPolarHBondContact O-CD 3.35Š| ||
| 332 | I | 29.2 | Very low | 30.1 | Very low | 161 Ų | 161 | 151.1 Ų | 151.1 | 83% | 0.826 | 81% | 0.806 | S | S | * | * | trans | -63.2 | 133.4 | 167.6 | -61.9 | 156.6 | 0 | 0 | 0 | 109.7 | ||||
| 333 | P | 30.6 | Very low | 30.3 | Very low | 111 Ų | 111 | 151.3 Ų | 151.3 | 72% | 0.721 | 81% | 0.809 | S | S | * | * | -116.7 | 161.9 | 126 | -9.2 | 28.9 | 0 | 0 | 0 | 113.3 | Q331 | Q331-P333 WeakPolarHBondContact O-CD 3.35Š| |||
| 334 | P | 32.7 | Very low | 30.1 | Very low | 124 Ų | 124 | 143.4 Ų | 143.4 | 81% | 0.805 | 80% | 0.796 | S | S | * | * | trans | -88 | 178.7 | -167.8 | 35.8 | -37.3 | 0 | 0 | 0 | 115.7 | ||||
| 335 | A | 27.9 | Very low | 30.2 | Very low | 110 Ų | 110 | 141.3 Ų | 141.3 | 91% | 0.909 | 79% | 0.789 | S | S | * | * | trans | -65 | 153.4 | -167.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 336 | G | 31.2 | Very low | 30.3 | Very low | 73 Ų | 73 | 140.5 Ų | 140.5 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | trans | -174.1 | 113.2 | 168.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 337 | S | 33 | Very low | 30.6 | Very low | 126 Ų | 126 | 139.7 Ų | 139.7 | 88% | 0.881 | 79% | 0.792 | S | S | * | * | trans | 70.1 | 161.4 | 160 | -149.9 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 338 | L | 30.4 | Very low | 30.8 | Very low | 153 Ų | 153 | 138.3 Ų | 138.3 | 80% | 0.801 | 79% | 0.79 | S | S | * | * | trans | -114.8 | 151.1 | -179.7 | -57.3 | 84.6 | 0 | 0 | 0 | 110.7 | ||||
| 339 | S | 34.6 | Very low | 30.8 | Very low | 106 Ų | 106 | 142.3 Ų | 142.3 | 74% | 0.741 | 80% | 0.798 | S | S | * | * | 170 | 133 | 116 | -78.4 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 340 | Q | 35 | Very low | 31 | Very low | 178 Ų | 178 | 143.5 Ų | 143.5 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | trans | 31.1 | 123.3 | 142.1 | -46.9 | -178.8 | 12.4 | 0 | 0 | 120.8 | ||||
| 341 | T | 32.4 | Very low | 31.3 | Very low | 116 Ų | 116 | 142.2 Ų | 142.2 | 71% | 0.712 | 80% | 0.799 | S | S | * | * | 165.6 | 129.7 | 98.4 | -67.1 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 342 | R | 30.1 | Very low | 31.2 | Very low | 251 Ų | 251 | 143.5 Ų | 143.5 | 95% | 0.947 | 80% | 0.801 | S | S | * | * | trans | 32.4 | 127.1 | 159.3 | -66 | 173.4 | 169 | 170.9 | -3.7 | 121.2 | ||||
| 343 | G | 30.7 | Very low | 31.3 | Very low | 84 Ų | 84 | 148 Ų | 148 | 87% | 0.866 | 81% | 0.808 | S | S | * | * | trans | 175.3 | 61 | 163.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 344 | A | 28.2 | Very low | 31.3 | Very low | 81 Ų | 81 | 154.2 Ų | 154.2 | 67% | 0.669 | 82% | 0.817 | S | S | * | * | trans | -78.5 | 157.1 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 345 | Y | 31.3 | Very low | 31.2 | Very low | 201 Ų | 201 | 156 Ų | 156 | 79% | 0.788 | 82% | 0.819 | S | S | * | * | cis | -139.6 | 153.9 | 22.3 | -75.2 | -101.3 | 0 | 0 | 0 | 113.2 | F347 | Y345-F347 HydrophobicContact CD1-CE2 4.39Š| ||
| 346 | I | 28.7 | Very low | 31.6 | Very low | 157 Ų | 157 | 156.5 Ų | 156.5 | 81% | 0.805 | 81% | 0.813 | S | S | * | * | trans | -121.6 | 128.7 | 155.9 | -64.6 | 176 | 0 | 0 | 0 | 107.3 | ||||
| 347 | F | 33.6 | Very low | 31.6 | Very low | 189 Ų | 189 | 161.2 Ų | 161.2 | 83% | 0.829 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -99.1 | 119.2 | 169.9 | -101.4 | -77.5 | 0 | 0 | 0 | 110.9 | Y345 | Y345-F347 HydrophobicContact CD1-CE2 4.39Š|
| 348 | T | 30.7 | Very low | 31.7 | Very low | 123 Ų | 123 | 161.9 Ų | 161.9 | 76% | 0.755 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -92.7 | 159.2 | 168.7 | 45.8 | 0 | 0 | 0 | 0 | 111.3 | ||
| 349 | R | 28.8 | Very low | 32 | Very low | 196 Ų | 196 | 158.1 Ų | 158.1 | 74% | 0.74 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -66 | 150.2 | -176.2 | -58.2 | 167.4 | 174.8 | 169.8 | -6 | 112.3 | ||
| 350 | N | 31.3 | Very low | 32.3 | Very low | 160 Ų | 160 | 158.5 Ų | 158.5 | 86% | 0.856 | 82% | 0.818 | S | S | * | * | -163.9 | 155.9 | 122 | -102.9 | -26.8 | 0 | 0 | 0 | 113.7 | |||||
| 351 | P | 36.4 | Very low | 32.2 | Very low | 109 Ų | 109 | 157.6 Ų | 157.6 | 71% | 0.708 | 82% | 0.818 | S | S | * | * | trans | -100.4 | -173.7 | -176.6 | 40.5 | -36.3 | 0 | 0 | 0 | 114 | ||||
| 352 | K | 27.7 | Very low | 32.1 | Very low | 204 Ų | 204 | 157.2 Ų | 157.2 | 89% | 0.887 | 82% | 0.819 | S | S | * | * | trans | 88.4 | 126.1 | -178.3 | -57.9 | -178.6 | 177.8 | -179.2 | 0 | 115.5 | ||||
| 353 | R | 31.5 | Very low | 32.2 | Very low | 255 Ų | 255 | 149.3 Ų | 149.3 | 96% | 0.962 | 81% | 0.808 | S | S | * | * | trans | -156.8 | 92.8 | 165.6 | -123.7 | -172.4 | -168.2 | 142.5 | 3.3 | 113.8 | ||||
| 354 | R | 31 | Very low | 32.2 | Very low | 243 Ų | 243 | 154.2 Ų | 154.2 | 92% | 0.917 | 81% | 0.808 | S | S | * | * | trans | -159.5 | 139.3 | 142 | -74.5 | -163 | -178.2 | -162.4 | -0.7 | 104.1 | ||||
| 355 | L | 31.8 | Very low | 33 | Very low | 160 Ų | 160 | 155.4 Ų | 155.4 | 84% | 0.838 | 81% | 0.809 | S | S | * | * | cis | -118.5 | 168.5 | 3.8 | -68.8 | 84.2 | 0 | 0 | 0 | 110.5 | ||||
| 356 | P | 35.2 | Very low | 33 | Very low | 121 Ų | 121 | 154.2 Ų | 154.2 | 79% | 0.786 | 82% | 0.816 | S | S | * | * | trans | -85.2 | 155.5 | 165.6 | 35.3 | -33.9 | 0 | 0 | 0 | 112.2 | ||||
| 357 | L | 31.9 | Very low | 33.1 | Very low | 173 Ų | 173 | 150.4 Ų | 150.4 | 91% | 0.906 | 81% | 0.807 | S | S | * | * | trans | -147.7 | 134.1 | 167.8 | -114.1 | 166.8 | 0 | 0 | 0 | 109.2 | ||||
| 358 | T | 35.4 | Very low | 33 | Very low | 139 Ų | 139 | 147.6 Ų | 147.6 | 85% | 0.853 | 81% | 0.805 | S | S | * | * | trans | -152.5 | 130.9 | -178.7 | 49.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 359 | G | 35 | Very low | 33.2 | Very low | 75 Ų | 75 | 146.8 Ų | 146.8 | 77% | 0.773 | 80% | 0.8 | S | S | * | * | trans | 146.3 | 119.4 | 164.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 360 | P | 41.7 | Very low | 33.6 | Very low | 114 Ų | 114 | 145 Ų | 145 | 74% | 0.74 | 80% | 0.8 | S | S | * | * | trans | -130.3 | -168.1 | -160.4 | 34.1 | -12.4 | 0 | 0 | 0 | 116 | ||||
| 361 | L | 32.2 | Very low | 33.6 | Very low | 159 Ų | 159 | 144.1 Ų | 144.1 | 83% | 0.832 | 79% | 0.791 | S | S | * | * | trans | 82 | 148.1 | 166.7 | -44.1 | 179.4 | 0 | 0 | 0 | 115.3 | ||||
| 362 | S | 31.2 | Very low | 33.7 | Very low | 107 Ų | 107 | 143.8 Ų | 143.8 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | cis | -161.7 | 169.7 | -9.5 | -129.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 363 | A | 32 | Very low | 34 | Very low | 85 Ų | 85 | 140 Ų | 140 | 70% | 0.702 | 78% | 0.781 | S | S | * | * | trans | 32.1 | 152 | 142.7 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 364 | E | 31.5 | Very low | 34.3 | Very low | 187 Ų | 187 | 132.7 Ų | 132.7 | 87% | 0.874 | 77% | 0.769 | S | S | * | * | cis | -163.7 | 176.1 | -9.2 | -112.8 | -160.5 | 97.4 | 0 | 0 | 110.1 | ||||
| 365 | P | 44.1 | Very low | 34.5 | Very low | 107 Ų | 107 | 127 Ų | 127 | 70% | 0.695 | 76% | 0.757 | S | S | * | * | trans | -109.3 | 174.3 | -166.6 | 42.3 | -37.3 | 0 | 0 | 0 | 116.8 | ||||
| 366 | L | 30.8 | Very low | 34.7 | Very low | 176 Ų | 176 | 126.5 Ų | 126.5 | 92% | 0.921 | 75% | 0.751 | S | S | * | * | trans | -158.6 | 174.1 | 159.1 | -95.8 | 177.3 | 0 | 0 | 0 | 109.8 | ||||
| 367 | A | 31.3 | Very low | 34.6 | Very low | 76 Ų | 76 | 126.6 Ų | 126.6 | 63% | 0.628 | 75% | 0.749 | S | S | * | * | -156.6 | -179.8 | -94 | 0 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 368 | V | 32.3 | Very low | 34.5 | Very low | 131 Ų | 131 | 123.3 Ų | 123.3 | 79% | 0.794 | 74% | 0.74 | S | S | * | * | trans | 75.4 | 144.6 | 165.1 | -167.9 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 369 | T | 33.9 | Very low | 34.4 | Very low | 105 Ų | 105 | 122.7 Ų | 122.7 | 64% | 0.644 | 74% | 0.736 | S | S | * | * | cis | -149.3 | 154.4 | 16.2 | -12 | 0 | 0 | 0 | 0 | 112 | ||||
| 370 | Q | 37.7 | Very low | 34.2 | Very low | 159 Ų | 159 | 124.1 Ų | 124.1 | 74% | 0.743 | 73% | 0.734 | S | S | * | * | trans | 56.4 | 158.8 | 140.9 | -83 | 177.6 | -46.9 | 0 | 0 | 121.8 | ||||
| 371 | E | 32.2 | Very low | 33.7 | Very low | 142 Ų | 142 | 124.3 Ų | 124.3 | 66% | 0.664 | 74% | 0.738 | S | S | * | * | cis | -173.9 | 172.3 | -24.4 | -130.2 | -171.7 | -90.2 | 0 | 0 | 107 | ||||
| 372 | T | 36.7 | Very low | 34.3 | Very low | 101 Ų | 101 | 122.6 Ų | 122.6 | 62% | 0.62 | 74% | 0.737 | S | S | * | * | cis | -151.2 | -177.4 | -4.4 | -26.9 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 373 | T | 35.7 | Very low | 34.3 | Very low | 125 Ų | 125 | 124.4 Ų | 124.4 | 77% | 0.767 | 74% | 0.744 | S | S | * | * | trans | 69.3 | 130.4 | 171.7 | 69.4 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 374 | S | 37.9 | Very low | 34.1 | Very low | 101 Ų | 101 | 125.2 Ų | 125.2 | 71% | 0.706 | 74% | 0.744 | S | S | * | * | cis | -172.2 | 170.5 | -0.7 | 41.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 375 | D | 34.7 | Very low | 34.2 | Very low | 124 Ų | 124 | 123 Ų | 123 | 66% | 0.663 | 74% | 0.743 | S | S | * | * | cis | -173.1 | 154.5 | -29.6 | -86.3 | -38.1 | 0 | 0 | 0 | 107.1 | ||||
| 376 | Q | 35.5 | Very low | 33.6 | Very low | 150 Ų | 150 | 122.6 Ų | 122.6 | 70% | 0.701 | 74% | 0.743 | S | S | * | * | cis | -156.9 | 135.9 | -11.4 | -124.6 | 166.7 | 60.1 | 0 | 0 | 112.2 | ||||
| 377 | T | 33.9 | Very low | 34.2 | Very low | 122 Ų | 122 | 119.6 Ų | 119.6 | 75% | 0.748 | 73% | 0.734 | S | S | * | * | trans | 41.1 | 143.6 | 137.3 | 57 | 0 | 0 | 0 | 0 | 125.9 | ||||
| 378 | S | 30 | Very low | 34.9 | Very low | 104 Ų | 104 | 120.5 Ų | 120.5 | 73% | 0.727 | 73% | 0.734 | S | S | * | * | trans | -71.1 | -175.2 | 154.2 | 46.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 379 | V | 32.9 | Very low | 34.9 | Very low | 126 Ų | 126 | 122.7 Ų | 122.7 | 76% | 0.764 | 74% | 0.735 | S | S | * | * | cis | -157.8 | 152.1 | 27.3 | -167.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 380 | S | 30.2 | Very low | 34.7 | Very low | 106 Ų | 106 | 122.2 Ų | 122.2 | 74% | 0.741 | 74% | 0.736 | S | S | * | * | trans | 169.8 | 158.4 | 135.4 | -81.3 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 381 | S | 31.6 | Very low | 34.5 | Very low | 117 Ų | 117 | 123.6 Ų | 123.6 | 82% | 0.818 | 74% | 0.743 | S | S | * | * | trans | 72.9 | 124.6 | 155.7 | -57.3 | 0 | 0 | 0 | 0 | 121 | ||||
| 382 | P | 43.8 | Very low | 34.2 | Very low | 124 Ų | 124 | 120.9 Ų | 120.9 | 81% | 0.805 | 74% | 0.74 | S | S | * | * | trans | -110.6 | 137.2 | 165.5 | 37 | -27.1 | 0 | 0 | 0 | 113.7 | ||||
| 383 | T | 32 | Very low | 33.9 | Very low | 145 Ų | 145 | 123.2 Ų | 123.2 | 89% | 0.89 | 75% | 0.746 | S | S | * | * | trans | -153.1 | 150.3 | 161.4 | -69.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 384 | S | 28.5 | Very low | 33.7 | Very low | 101 Ų | 101 | 123.5 Ų | 123.5 | 71% | 0.706 | 75% | 0.748 | S | S | * | * | trans | -76.5 | 153.2 | 179.5 | 53.3 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 385 | T | 32 | Very low | 33.1 | Very low | 141 Ų | 141 | 124 Ų | 124 | 87% | 0.865 | 75% | 0.751 | S | S | * | * | -173.5 | 156.5 | 127.5 | -74.8 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 386 | S | 32.7 | Very low | 32.9 | Very low | 98 Ų | 98 | 125 Ų | 125 | 69% | 0.685 | 76% | 0.761 | S | S | * | * | trans | -143.4 | -167.7 | 177.5 | 64.9 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 387 | P | 42.4 | Very low | 32.5 | Very low | 114 Ų | 114 | 123.3 Ų | 123.3 | 74% | 0.74 | 77% | 0.767 | S | S | * | * | cis | -117.9 | -132.3 | -23.9 | 28 | -2.3 | 0 | 0 | 0 | 106.9 | ||||
| 388 | P | 46.1 | Very low | 32.2 | Very low | 95 Ų | 95 | 121.3 Ų | 121.3 | 62% | 0.617 | 77% | 0.77 | S | S | * | * | cis | -137.7 | -176.6 | -16.6 | 44 | -25.8 | 0 | 0 | 0 | 116.7 | ||||
| 389 | E | 31.8 | Very low | 32.1 | Very low | 177 Ų | 177 | 124.3 Ų | 124.3 | 83% | 0.827 | 78% | 0.777 | S | S | * | * | trans | 66.7 | 154.1 | 150.4 | -78.3 | 165.9 | -157.5 | 0 | 0 | 120.9 | ||||
| 390 | S | 30.6 | Very low | 32 | Very low | 95 Ų | 95 | 126 Ų | 126 | 66% | 0.664 | 78% | 0.781 | S | S | * | * | cis | -173.8 | 160.5 | -33.9 | -105.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 391 | Q | 32.9 | Very low | 32.2 | Very low | 187 Ų | 187 | 125.3 Ų | 125.3 | 87% | 0.874 | 78% | 0.776 | S | S | * | * | trans | 67.6 | 162.9 | 169.2 | -35.1 | -167.4 | 14.2 | 0 | 0 | 116.5 | ||||
| 392 | S | 27.1 | Very low | 32.1 | Very low | 86 Ų | 86 | 124.6 Ų | 124.6 | 60% | 0.601 | 77% | 0.771 | S | S | * | * | cis | -168.3 | -173.5 | -42.9 | 63.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 393 | I | 29.9 | Very low | 31.3 | Very low | 149 Ų | 149 | 124.3 Ų | 124.3 | 76% | 0.764 | 77% | 0.772 | S | S | * | * | trans | 80.5 | 111.8 | 150.7 | -76.9 | 168 | 0 | 0 | 0 | 120.2 | ||||
| 394 | V | 31.4 | Very low | 31.6 | Very low | 132 Ų | 132 | 123.1 Ų | 123.1 | 80% | 0.8 | 77% | 0.767 | S | S | * | * | trans | 78 | 137.3 | 137.9 | 172 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 395 | S | 25.2 | Very low | 31.6 | Very low | 110 Ų | 110 | 124.9 Ų | 124.9 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | trans | -97.4 | 155.2 | 175.5 | 35.5 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 396 | V | 30.5 | Very low | 31.6 | Very low | 145 Ų | 145 | 124.2 Ų | 124.2 | 88% | 0.879 | 78% | 0.775 | S | S | * | * | trans | -141.6 | 150.2 | 151.6 | -164 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 397 | S | 26.1 | Very low | 31.3 | Very low | 116 Ų | 116 | 124.9 Ų | 124.9 | 81% | 0.811 | 78% | 0.779 | S | S | * | * | trans | -74.1 | 159.9 | 178.5 | -46.3 | 0 | 0 | 0 | 0 | 114 | ||||
| 398 | G | 29.4 | Very low | 30.8 | Very low | 80 Ų | 80 | 128 Ų | 128 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | trans | -141.5 | 117.7 | 166.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 399 | L | 26.4 | Very low | 30 | Very low | 167 Ų | 167 | 128 Ų | 128 | 87% | 0.874 | 79% | 0.791 | S | S | * | * | trans | -99.6 | 140.2 | 179.2 | -73.8 | 161.9 | 0 | 0 | 0 | 110.9 | ||||
| 400 | L | 32.4 | Very low | 30.1 | Very low | 161 Ų | 161 | 125 Ų | 125 | 84% | 0.843 | 79% | 0.785 | S | S | * | * | trans | -139.2 | 106.9 | 164.7 | -72.2 | 177.3 | 0 | 0 | 0 | 107.1 | ||||
| 401 | S | 33.5 | Very low | 30.2 | Very low | 91 Ų | 91 | 128 Ų | 128 | 64% | 0.636 | 79% | 0.788 | S | S | * | * | 71.8 | 104.9 | 79.9 | 74 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 402 | S | 30.2 | Very low | 30.2 | Very low | 102 Ų | 102 | 127.1 Ų | 127.1 | 71% | 0.713 | 78% | 0.784 | S | S | * | * | 84.4 | 95.4 | 54.3 | 77.3 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 403 | S | 26.1 | Very low | 30.4 | Very low | 118 Ų | 118 | 126.5 Ų | 126.5 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | trans | 66.9 | -179.4 | 150.5 | -49 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 404 | P | 38.4 | Very low | 30.6 | Very low | 121 Ų | 121 | 125.6 Ų | 125.6 | 79% | 0.786 | 79% | 0.793 | S | S | * | * | cis | -128.6 | -172.6 | -7.5 | 42.3 | -26.3 | 0 | 0 | 0 | 114.6 | ||||
| 405 | T | 28.6 | Very low | 30.6 | Very low | 137 Ų | 137 | 124.1 Ų | 124.1 | 84% | 0.84 | 79% | 0.788 | S | S | * | * | trans | -82.4 | 148.3 | 168.3 | 52.2 | 0 | 0 | 0 | 0 | 113 | ||||
| 406 | S | 31.3 | Very low | 31 | Very low | 128 Ų | 128 | 127.3 Ų | 127.3 | 90% | 0.895 | 80% | 0.795 | S | S | * | * | trans | -150.8 | 139.2 | 158.4 | 60.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 407 | S | 27.6 | Very low | 31 | Very low | 112 Ų | 112 | 128.3 Ų | 128.3 | 78% | 0.783 | 79% | 0.787 | S | S | * | * | trans | -115.2 | 143.2 | 170.3 | 56.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 408 | L | 31.7 | Very low | 31.4 | Very low | 178 Ų | 178 | 129.6 Ų | 129.6 | 93% | 0.932 | 79% | 0.79 | S | S | * | * | trans | -160.4 | 169.8 | 160.6 | -110.9 | 170.9 | 0 | 0 | 0 | 111.1 | ||||
| 409 | S | 29.8 | Very low | 31.5 | Very low | 95 Ų | 95 | 131 Ų | 131 | 66% | 0.664 | 78% | 0.779 | S | S | * | * | trans | -154.6 | 144.8 | -158.9 | 62.8 | 0 | 0 | 0 | 0 | 116 | ||||
| 410 | V | 32.2 | Very low | 31.7 | Very low | 116 Ų | 116 | 130.1 Ų | 130.1 | 70% | 0.703 | 78% | 0.775 | S | S | * | * | trans | 65.4 | 117.4 | 158.4 | -142.5 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 411 | H | 32.7 | Very low | 31.5 | Very low | 156 Ų | 156 | 130.2 Ų | 130.2 | 72% | 0.722 | 78% | 0.776 | S | S | * | * | 178 | 165.8 | 106.2 | -98.6 | -80.7 | 0 | 0 | 0 | 114.3 | |||||
| 412 | Q | 33.5 | Very low | 32 | Very low | 170 Ų | 170 | 130.3 Ų | 130.3 | 79% | 0.794 | 77% | 0.774 | S | S | * | * | trans | -48.3 | 158.6 | -171.8 | -59.8 | 117.5 | -38.5 | 0 | 0 | 115.8 | ||||
| 413 | G | 30.9 | Very low | 31.9 | Very low | 73 Ų | 73 | 134 Ų | 134 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | cis | 176 | -155.6 | 4.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 414 | T | 34.3 | Very low | 32 | Very low | 130 Ų | 130 | 134.4 Ų | 134.4 | 80% | 0.798 | 77% | 0.771 | S | S | * | * | cis | -161.8 | 149.2 | -1.4 | 52.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 415 | S | 31.2 | Very low | 31.5 | Very low | 101 Ų | 101 | 135.7 Ų | 135.7 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | trans | 65.9 | 107.2 | 146.3 | -179.3 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 416 | I | 34.5 | Very low | 31.6 | Very low | 176 Ų | 176 | 136.3 Ų | 136.3 | 90% | 0.903 | 76% | 0.764 | S | S | * | * | -130.9 | 148.1 | 126.5 | -64.6 | -174.3 | 0 | 0 | 0 | 107.7 | |||||
| 417 | K | 30.2 | Very low | 31.5 | Very low | 166 Ų | 166 | 137 Ų | 137 | 72% | 0.722 | 76% | 0.757 | S | S | * | * | trans | -94.5 | 154.9 | -174.2 | -54.6 | 175.4 | 178.9 | 180 | 0 | 113.4 | ||||
| 418 | V | 35.3 | Very low | 31.5 | Very low | 143 Ų | 143 | 143.3 Ų | 143.3 | 87% | 0.867 | 76% | 0.764 | S | S | * | * | -146.5 | 140.2 | 114.8 | -175.2 | 0 | 0 | 0 | 0 | 110 | |||||
| 419 | N | 30 | Very low | 31.6 | Very low | 111 Ų | 111 | 139.1 Ų | 139.1 | 59% | 0.594 | 76% | 0.755 | S | S | * | * | trans | -57.2 | 172.5 | 173.2 | -63 | 54.1 | 0 | 0 | 0 | 115.3 | ||||
| 420 | D | 32.4 | Very low | 31.4 | Very low | 147 Ų | 147 | 143.4 Ų | 143.4 | 79% | 0.786 | 76% | 0.764 | S | S | * | * | cis | -165.1 | 178.3 | -19.2 | -96.2 | -24.7 | 0 | 0 | 0 | 109.3 | ||||
| 421 | D | 27.5 | Very low | 31.4 | Very low | 164 Ų | 164 | 146 Ų | 146 | 88% | 0.877 | 77% | 0.772 | S | S | * | * | trans | -87.4 | 176.4 | -170.4 | -102.7 | -28.8 | 0 | 0 | 0 | 116.6 | ||||
| 422 | P | 43.3 | Very low | 31 | Very low | 92 Ų | 92 | 142.9 Ų | 142.9 | 60% | 0.597 | 77% | 0.768 | S | S | * | * | trans | -115.7 | 167.8 | -150.6 | 43 | -38.6 | 0 | 0 | 0 | 118.7 | ||||
| 423 | F | 28.5 | Very low | 30.8 | Very low | 181 Ų | 181 | 144.7 Ų | 144.7 | 79% | 0.794 | 77% | 0.774 | S | S | * | * | 164.9 | 137.5 | 123.9 | -100.2 | -71.3 | 0 | 0 | 0 | 116.5 | |||||
| 424 | N | 28.2 | Very low | 30.5 | Very low | 126 Ų | 126 | 152.2 Ų | 152.2 | 67% | 0.674 | 78% | 0.779 | S | S | * | * | trans | 64.9 | 126.7 | 146.9 | -77.9 | -22.5 | 0 | 0 | 0 | 126 | ||||
| 425 | L | 28.2 | Very low | 30.2 | Very low | 148 Ų | 148 | 150.2 Ų | 150.2 | 78% | 0.775 | 77% | 0.771 | S | S | * | * | trans | 65 | 156.9 | 143.6 | -90.7 | 59.8 | 0 | 0 | 0 | 119.1 | ||||
| 426 | E | 29.9 | Very low | 30.1 | Very low | 150 Ų | 150 | 152.4 Ų | 152.4 | 70% | 0.701 | 78% | 0.775 | S | S | * | * | cis | -154.5 | 142.2 | 12.7 | -143.5 | -169 | 165.1 | 0 | 0 | 115.7 | ||||
| 427 | N | 29.2 | Very low | 29.7 | Very low | 141 Ų | 141 | 148.9 Ų | 148.9 | 75% | 0.754 | 77% | 0.765 | S | S | * | * | trans | 59.6 | 163.3 | 142.6 | -89.3 | -36.5 | 0 | 0 | 0 | 126 | ||||
| 428 | R | 29 | Very low | 29.9 | Very low | 245 Ų | 245 | 146.6 Ų | 146.6 | 93% | 0.925 | 77% | 0.77 | S | S | * | * | trans | 76.5 | 142 | 177.4 | -106.3 | 179.3 | 169.8 | 113.5 | -3.7 | 116.5 | ||||
| 429 | A | 31.9 | Very low | 29.5 | Very low | 90 Ų | 90 | 147.5 Ų | 147.5 | 74% | 0.744 | 77% | 0.77 | S | S | * | * | cis | -139.5 | 173.9 | 7 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 430 | H | 26.2 | Very low | 29.5 | Very low | 185 Ų | 185 | 151.6 Ų | 151.6 | 86% | 0.856 | 79% | 0.786 | S | S | * | * | trans | -82.6 | 154.6 | -179.5 | -63.7 | -111.9 | 0 | 0 | 0 | 113.5 | ||||
| 431 | I | 32.1 | Very low | 29.1 | Very low | 171 Ų | 171 | 149.6 Ų | 149.6 | 88% | 0.877 | 78% | 0.783 | S | S | * | * | trans | -150 | 147.4 | 132 | -98.2 | 149.6 | 0 | 0 | 0 | 107.4 | ||||
| 432 | S | 25.1 | Very low | 29.3 | Very low | 91 Ų | 91 | 149.4 Ų | 149.4 | 64% | 0.636 | 78% | 0.781 | S | S | * | * | trans | -106.6 | 159 | 176.1 | 55.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 433 | F | 28.7 | Very low | 28.7 | Very low | 208 Ų | 208 | 151.7 Ų | 151.7 | 91% | 0.912 | 79% | 0.787 | S | S | * | * | -168.2 | 152.6 | 126.7 | -102.8 | -65.3 | 0 | 0 | 0 | 113 | |||||
| 434 | R | 24.3 | Very low | 28.5 | Very low | 231 Ų | 231 | 154.7 Ų | 154.7 | 87% | 0.872 | 79% | 0.794 | S | S | * | * | trans | -90.7 | 166.4 | 160.6 | -104.8 | -175.9 | 175.1 | -168.4 | -1.6 | 107.4 | ||||
| 435 | S | 28.2 | Very low | 28.5 | Very low | 88 Ų | 88 | 153.4 Ų | 153.4 | 62% | 0.615 | 80% | 0.795 | S | S | * | * | cis | -169 | -173.8 | 4.9 | 35.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 436 | N | 28.8 | Very low | 28.4 | Very low | 147 Ų | 147 | 154.1 Ų | 154.1 | 79% | 0.786 | 80% | 0.8 | S | S | * | * | trans | 75.2 | 160.1 | 164.8 | -65.8 | 11.4 | 0 | 0 | 0 | 117.1 | ||||
| 437 | S | 27.5 | Very low | 28.5 | Very low | 101 Ų | 101 | 152.4 Ų | 152.4 | 71% | 0.706 | 80% | 0.804 | S | S | * | * | cis | -176.3 | 131.1 | -42.1 | 54 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 438 | S | 33 | Very low | 28.3 | Very low | 119 Ų | 119 | 157.3 Ų | 157.3 | 83% | 0.832 | 81% | 0.812 | S | S | * | * | trans | -151.1 | 145 | 159.1 | 48.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 439 | N | 27.3 | Very low | 28.4 | Very low | 162 Ų | 162 | 152.9 Ų | 152.9 | 87% | 0.866 | 81% | 0.806 | S | S | * | * | trans | -88.5 | 154 | -179.1 | -49.3 | -61.9 | 0 | 0 | 0 | 110 | ||||
| 440 | E | 30.4 | Very low | 28.1 | Very low | 197 Ų | 197 | 155.6 Ų | 155.6 | 92% | 0.921 | 81% | 0.807 | S | S | * | * | -151.8 | 155.4 | 120 | -123.9 | 171 | -156.4 | 0 | 0 | 111.3 | |||||
| 441 | S | 24.7 | Very low | 28.2 | Very low | 104 Ų | 104 | 151.7 Ų | 151.7 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | trans | -115.6 | 142.7 | -171.4 | 54.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 442 | I | 30.9 | Very low | 28.1 | Very low | 160 Ų | 160 | 148.4 Ų | 148.4 | 82% | 0.821 | 80% | 0.798 | S | S | * | * | trans | -150.2 | 107.7 | 156 | -99.6 | 136.5 | 0 | 0 | 0 | 110.4 | ||||
| 443 | I | 30.5 | Very low | 28.5 | Very low | 141 Ų | 141 | 150.5 Ų | 150.5 | 72% | 0.723 | 81% | 0.807 | S | S | * | * | trans | 33.9 | 111.3 | 136 | -53.6 | 174.2 | 0 | 0 | 0 | 117.8 | ||||
| 444 | Y | 24.3 | Very low | 28.6 | Very low | 243 Ų | 243 | 145.8 Ų | 145.8 | 95% | 0.953 | 80% | 0.798 | S | S | * | * | trans | -67.1 | 135.1 | 151.1 | -92.5 | -103.1 | 0 | 0 | 0 | 110.3 | ||||
| 445 | S | 28.9 | Very low | 29 | Very low | 99 Ų | 99 | 142.1 Ų | 142.1 | 69% | 0.692 | 80% | 0.795 | S | S | * | * | trans | -140.2 | 131.2 | 168.9 | -83.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 446 | N | 26.4 | Very low | 29.2 | Very low | 164 Ų | 164 | 144.3 Ų | 144.3 | 88% | 0.877 | 81% | 0.805 | S | S | * | * | trans | -70.7 | 136.3 | -179.6 | -68.3 | -72.3 | 0 | 0 | 0 | 112.1 | ||||
| 447 | S | 30.4 | Very low | 29.2 | Very low | 114 Ų | 114 | 143.7 Ų | 143.7 | 80% | 0.797 | 81% | 0.81 | S | S | * | * | trans | -124.4 | 90.3 | 168.2 | -71.7 | 0 | 0 | 0 | 0 | 110.5 | L449 | S447-L449 PolarHBondContact O-N 3.01Š| ||
| 448 | R | 25.8 | Very low | 29.3 | Very low | 243 Ų | 243 | 146.9 Ų | 146.9 | 92% | 0.917 | 82% | 0.818 | S | S | * | * | trans | -74.6 | 119.7 | 165.3 | -69.1 | -175.2 | -179.2 | -160.7 | 1.1 | 108.6 | ||||
| 449 | L | 30.4 | Very low | 29.2 | Very low | 152 Ų | 152 | 149.7 Ų | 149.7 | 80% | 0.796 | 82% | 0.82 | S | S | * | * | trans | -123.8 | 91.6 | 168.1 | -75.6 | 176.7 | 0 | 0 | 0 | 111.6 | S447 A451 | S447-L449 PolarHBondContact O-N 3.01Å; L449-A451 PolarHBondContact O-N 3.48Å | ||
| 450 | I | 26.4 | Very low | 29.2 | Very low | 148 Ų | 148 | 147.7 Ų | 147.7 | 76% | 0.759 | 81% | 0.814 | S | S | * | * | trans | 33.4 | 88.5 | 136.7 | -46 | 171.7 | 0 | 0 | 0 | 115.4 | ||||
| 451 | A | 28.3 | Very low | 29.3 | Very low | 102 Ų | 102 | 146.5 Ų | 146.5 | 84% | 0.843 | 81% | 0.813 | S | S | * | * | trans | -103.3 | 101.5 | 157.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | L449 | L449-A451 PolarHBondContact O-N 3.48Š| ||
| 452 | S | 30.6 | Very low | 29.7 | Very low | 102 Ų | 102 | 152.3 Ų | 152.3 | 71% | 0.713 | 82% | 0.819 | S | S | * | * | trans | -104 | 92.5 | -179.1 | 58.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 453 | T | 32.7 | Very low | 29.6 | Very low | 135 Ų | 135 | 149.5 Ų | 149.5 | 83% | 0.828 | 81% | 0.813 | S | S | * | * | trans | -115.7 | 123.5 | 164.1 | 45.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 454 | P | 31.6 | Very low | 29.5 | Very low | 109 Ų | 109 | 150 Ų | 150 | 71% | 0.708 | 81% | 0.814 | S | S | * | * | trans | -92.2 | 164.7 | -179.5 | 36 | -34.8 | 0 | 0 | 0 | 112.8 | ||||
| 455 | N | 31.8 | Very low | 29.8 | Very low | 154 Ų | 154 | 145.2 Ų | 145.2 | 82% | 0.824 | 81% | 0.805 | S | S | * | * | trans | 82.7 | 69.7 | 162 | -52.6 | -20.4 | 0 | 0 | 0 | 119.1 | ||||
| 456 | T | 31.8 | Very low | 29.9 | Very low | 134 Ų | 134 | 145.9 Ų | 145.9 | 82% | 0.822 | 81% | 0.81 | S | S | * | * | -131.7 | 131.4 | 124.8 | 44.1 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 457 | P | 29.6 | Very low | 29.9 | Very low | 135 Ų | 135 | 144.3 Ų | 144.3 | 88% | 0.877 | 81% | 0.806 | S | S | * | * | trans | -75.5 | 138 | -179 | 31.3 | -34 | 0 | 0 | 0 | 111 | ||||
| 458 | L | 30.7 | Very low | 29.9 | Very low | 167 Ų | 167 | 145.2 Ų | 145.2 | 87% | 0.874 | 81% | 0.811 | S | S | * | * | trans | -127.6 | 135.4 | 173.4 | -138.1 | 167 | 0 | 0 | 0 | 108.6 | ||||
| 459 | M | 30.3 | Very low | 30.1 | Very low | 179 Ų | 179 | 137.4 Ų | 137.4 | 88% | 0.882 | 79% | 0.793 | S | S | * | * | trans | -59.7 | 146.2 | -172.2 | -85.7 | -68.6 | -177.6 | 0 | 0 | 113.4 | ||||
| 460 | T | 27.9 | Very low | 30 | Very low | 120 Ų | 120 | 139 Ų | 139 | 74% | 0.736 | 80% | 0.796 | S | S | * | * | trans | -73.3 | 133.6 | 179.4 | -52.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 461 | L | 31.7 | Very low | 30.2 | Very low | 171 Ų | 171 | 136.9 Ų | 136.9 | 90% | 0.895 | 80% | 0.795 | S | S | * | * | trans | -148.9 | 164.9 | 141.3 | -107.4 | 173.2 | 0 | 0 | 0 | 109.8 | ||||
| 462 | R | 32.9 | Very low | 30.3 | Very low | 227 Ų | 227 | 137.9 Ų | 137.9 | 86% | 0.857 | 80% | 0.796 | S | S | * | * | trans | -107.9 | 154.1 | -151.4 | -59.2 | 177.2 | 174.7 | 164.7 | -2.7 | 115.5 | ||||
| 463 | S | 28.9 | Very low | 30.2 | Very low | 101 Ų | 101 | 141.2 Ų | 141.2 | 71% | 0.706 | 80% | 0.804 | S | S | * | * | trans | -43.7 | 162 | 142.6 | -61.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 464 | M | 28 | Very low | 30.1 | Very low | 151 Ų | 151 | 140.5 Ų | 140.5 | 74% | 0.744 | 81% | 0.805 | S | S | * | * | cis | -163.1 | -166.8 | 3.9 | -126 | 162.2 | 64.5 | 0 | 0 | 110 | ||||
| 465 | D | 30.1 | Very low | 30 | Very low | 143 Ų | 143 | 145 Ų | 145 | 77% | 0.765 | 81% | 0.814 | S | S | * | * | trans | 76.5 | 148.6 | 158.4 | -53.9 | -38 | 0 | 0 | 0 | 117.4 | ||||
| 466 | S | 31.1 | Very low | 30.6 | Very low | 113 Ų | 113 | 142.8 Ų | 142.8 | 79% | 0.79 | 81% | 0.808 | S | S | * | * | cis | -142.5 | 166.2 | -2.7 | 59.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 467 | V | 26.2 | Very low | 30.7 | Very low | 131 Ų | 131 | 142.3 Ų | 142.3 | 79% | 0.794 | 81% | 0.81 | S | S | * | * | trans | -93.6 | 138.8 | 171.9 | 177.4 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 468 | C | 31.1 | Very low | 31 | Very low | 133 Ų | 133 | 144 Ų | 144 | 90% | 0.899 | 81% | 0.806 | S | S | * | * | trans | -158.7 | 167.5 | 149.7 | -130 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 469 | S | 29.4 | Very low | 31 | Very low | 78 Ų | 78 | 142.7 Ų | 142.7 | 55% | 0.545 | 80% | 0.799 | S | S | . | * | trans | -142.4 | 157.6 | -151.9 | -50.3 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 470 | H | 29.9 | Very low | 31.6 | Very low | 185 Ų | 185 | 140.1 Ų | 140.1 | 86% | 0.856 | 80% | 0.796 | S | S | * | * | trans | 69.3 | 155.3 | 165.6 | -51.6 | -61 | 0 | 0 | 0 | 115.5 | ||||
| 471 | S | 29.6 | Very low | 32.6 | Very low | 105 Ų | 105 | 139.1 Ų | 139.1 | 73% | 0.734 | 79% | 0.791 | S | S | * | * | cis | -172.7 | 151.9 | -14.6 | 43.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 472 | S | 30.9 | Very low | 33 | Very low | 123 Ų | 123 | 135.6 Ų | 135.6 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | trans | 164.1 | 168 | 138.7 | 49.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 473 | L | 28.8 | Very low | 33.2 | Very low | 171 Ų | 171 | 133 Ų | 133 | 90% | 0.895 | 78% | 0.784 | S | S | * | * | trans | -132.1 | 142.1 | -175 | -72.8 | 158.3 | 0 | 0 | 0 | 110.2 | ||||
| 474 | S | 30 | Very low | 34.2 | Very low | 120 Ų | 120 | 134.2 Ų | 134.2 | 84% | 0.839 | 79% | 0.789 | S | S | * | * | trans | -178.6 | 159.7 | 143.3 | 32.7 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 475 | F | 29.5 | Very low | 34.7 | Very low | 205 Ų | 205 | 130.9 Ų | 130.9 | 90% | 0.899 | 79% | 0.794 | S | S | * | * | trans | -137.8 | -178.3 | 175.2 | -82.1 | -78.7 | 0 | 0 | 0 | 106.5 | ||||
| 476 | P | 44 | Very low | 35.1 | Very low | 106 Ų | 106 | 130.7 Ų | 130.7 | 69% | 0.688 | 80% | 0.798 | S | S | * | * | cis | -131.5 | -170.4 | -47.6 | 38.5 | -22.1 | 0 | 0 | 0 | 112 | ||||
| 477 | S | 35.2 | Very low | 35.7 | Very low | 125 Ų | 125 | 129.7 Ų | 129.7 | 87% | 0.874 | 80% | 0.797 | S | S | * | * | trans | -158.7 | 172.6 | 160.9 | -67.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 478 | H | 33.9 | Very low | 36.4 | Very low | 170 Ų | 170 | 130 Ų | 130 | 79% | 0.787 | 80% | 0.799 | S | S | * | * | trans | -142 | 162.5 | -158.5 | -113 | -90.8 | 0 | 0 | 0 | 116.2 | ||||
| 479 | L | 31.2 | Very low | 36.6 | Very low | 140 Ų | 140 | 132.1 Ų | 132.1 | 73% | 0.733 | 79% | 0.793 | S | S | * | * | trans | 73 | 165.7 | 153.4 | -75.8 | 163.1 | 0 | 0 | 0 | 118 | P481 | L479-P481 HydrophobicContact CD2-CG 4.36Š| ||
| 480 | P | 44.2 | Very low | 36.9 | Very low | 125 Ų | 125 | 135.3 Ų | 135.3 | 81% | 0.812 | 80% | 0.804 | S | S | * | * | cis | -131.1 | -178.9 | 19.4 | 39.8 | -20 | 0 | 0 | 0 | 118.7 | ||||
| 481 | P | 47.1 | Very low | 37.1 | Very low | 99 Ų | 99 | 132.3 Ų | 132.3 | 64% | 0.643 | 80% | 0.795 | S | S | * | * | trans | -128.9 | -169.1 | -165.6 | 44.7 | -29.2 | 0 | 0 | 0 | 116.7 | L479 | L479-P481 HydrophobicContact CD2-CG 4.36Š| ||
| 482 | A | 41.3 | Very low | 37.2 | Very low | 96 Ų | 96 | 130.6 Ų | 130.6 | 79% | 0.793 | 79% | 0.793 | S | S | * | * | trans | -147.7 | 167.1 | 166.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 483 | H | 37.6 | Very low | 37.4 | Very low | 172 Ų | 172 | 131.6 Ų | 131.6 | 80% | 0.796 | 79% | 0.787 | S | S | * | * | trans | -126.8 | -165.2 | -162.9 | -61.5 | -82.1 | 0 | 0 | 0 | 112.1 | ||||
| 484 | P | 49.3 | Very low | 37.7 | Very low | 127 Ų | 127 | 129.8 Ų | 129.8 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | cis | -138.6 | 179.5 | -3 | 42.4 | -23.3 | 0 | 0 | 0 | 117.3 | ||||
| 485 | G | 38.8 | Very low | 37.7 | Very low | 81 Ų | 81 | 130.3 Ų | 130.3 | 84% | 0.835 | 77% | 0.772 | S | S | * | * | trans | 170.2 | 85.3 | 170.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 486 | T | 38.2 | Very low | 37.9 | Very low | 139 Ų | 139 | 126.2 Ų | 126.2 | 85% | 0.853 | 76% | 0.764 | S | S | * | * | trans | -106.1 | 137.7 | -158.9 | 46.9 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 487 | A | 42.9 | Very low | 37.3 | Very low | 93 Ų | 93 | 126.1 Ų | 126.1 | 77% | 0.769 | 77% | 0.766 | S | S | * | * | trans | 178.4 | 141.3 | 141.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 488 | T | 41.8 | Very low | 37.1 | Very low | 137 Ų | 137 | 125.9 Ų | 125.9 | 84% | 0.84 | 76% | 0.759 | S | S | * | * | cis | -153.7 | 168.5 | -10.9 | 16.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 489 | F | 34.6 | Very low | 36.9 | Very low | 178 Ų | 178 | 124.8 Ų | 124.8 | 78% | 0.781 | 76% | 0.758 | S | S | * | * | trans | -69.5 | 171.2 | 179.5 | -80.3 | -104.5 | 0 | 0 | 0 | 112.9 | ||||
| 490 | D | 35.6 | Very low | 36.6 | Very low | 144 Ų | 144 | 123.3 Ų | 123.3 | 77% | 0.77 | 76% | 0.759 | S | S | * | * | cis | -153.2 | -171.7 | 35.2 | -138.4 | -41.5 | 0 | 0 | 0 | 116.2 | ||||
| 491 | N | 34.4 | Very low | 35.9 | Very low | 123 Ų | 123 | 121.9 Ų | 121.9 | 66% | 0.658 | 75% | 0.752 | S | S | * | * | trans | -105.2 | 167.8 | -152.9 | -68.5 | -87.4 | 0 | 0 | 0 | 117.9 | ||||
| 492 | G | 32.4 | Very low | 35.2 | Very low | 69 Ų | 69 | 123.4 Ų | 123.4 | 71% | 0.711 | 76% | 0.755 | S | S | * | * | trans | 140 | 86.1 | 163.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 493 | I | 35 | Very low | 34.8 | Very low | 143 Ų | 143 | 125.8 Ų | 125.8 | 73% | 0.733 | 75% | 0.752 | S | S | * | * | 81.5 | 126.2 | 62.5 | -62.5 | -178.8 | 0 | 0 | 0 | 114.2 | |||||
| 494 | N | 34 | Very low | 34.5 | Very low | 134 Ų | 134 | 122.8 Ų | 122.8 | 72% | 0.717 | 75% | 0.746 | S | S | * | * | trans | 75.2 | 100.6 | 165.8 | -71.9 | 16.3 | 0 | 0 | 0 | 122.3 | ||||
| 495 | D | 31.1 | Very low | 33.4 | Very low | 130 Ų | 130 | 126.7 Ų | 126.7 | 70% | 0.695 | 75% | 0.746 | S | S | * | * | 84.7 | 134.6 | 110 | -72.5 | -34.8 | 0 | 0 | 0 | 125.6 | |||||
| 496 | T | 33.8 | Very low | 33.1 | Very low | 119 Ų | 119 | 128.5 Ų | 128.5 | 73% | 0.73 | 75% | 0.746 | S | S | * | * | trans | 70.4 | 96.6 | 145.4 | 51.9 | 0 | 0 | 0 | 0 | 122 | ||||
| 497 | S | 31.4 | Very low | 32.7 | Very low | 104 Ų | 104 | 130.6 Ų | 130.6 | 73% | 0.727 | 74% | 0.743 | S | S | * | * | 96.3 | 136.5 | 111.5 | 81.5 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 498 | V | 30.1 | Very low | 32.2 | Very low | 121 Ų | 121 | 135.9 Ų | 135.9 | 73% | 0.733 | 75% | 0.749 | S | S | * | * | trans | 81.4 | 118.7 | 133 | 163.4 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 499 | I | 29.5 | Very low | 31.6 | Very low | 147 Ų | 147 | 140.4 Ų | 140.4 | 75% | 0.754 | 75% | 0.752 | S | S | * | * | trans | 81.3 | 119.3 | 149.4 | -78.9 | 170.6 | 0 | 0 | 0 | 121.1 | ||||
| 500 | S | 26.4 | Very low | 31.5 | Very low | 108 Ų | 108 | 141.7 Ų | 141.7 | 76% | 0.755 | 76% | 0.757 | S | S | * | * | trans | 48.7 | 136.2 | 142.7 | -56.1 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 501 | S | 28.8 | Very low | 31.1 | Very low | 95 Ų | 95 | 139.4 Ų | 139.4 | 66% | 0.664 | 75% | 0.753 | S | S | * | * | cis | -174.3 | 179.8 | 46.9 | 41.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 502 | N | 32.6 | Very low | 31.1 | Very low | 132 Ų | 132 | 140.2 Ų | 140.2 | 71% | 0.706 | 76% | 0.762 | S | S | * | * | trans | 114.6 | 109.7 | 156.6 | -62.5 | -34.8 | 0 | 0 | 0 | 119.5 | ||||
| 503 | I | 33 | Very low | 30.9 | Very low | 146 Ų | 146 | 143.1 Ų | 143.1 | 75% | 0.749 | 76% | 0.761 | S | S | * | * | 54.5 | 130.4 | 108.8 | -66.5 | 168.3 | 0 | 0 | 0 | 117.5 | |||||
| 504 | T | 30.8 | Very low | 30.8 | Very low | 109 Ų | 109 | 143.1 Ų | 143.1 | 67% | 0.669 | 77% | 0.768 | S | S | * | * | cis | -166.2 | 146.3 | 0 | -110.7 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 505 | Y | 26.4 | Very low | 30.4 | Very low | 209 Ų | 209 | 141.2 Ų | 141.2 | 82% | 0.82 | 77% | 0.765 | S | S | * | * | trans | 29.5 | 127.7 | 157.5 | -72.7 | -112.9 | 0 | 0 | 0 | 122.7 | ||||
| 506 | S | 31.8 | Very low | 30.4 | Very low | 119 Ų | 119 | 144.2 Ų | 144.2 | 83% | 0.832 | 77% | 0.774 | S | S | * | * | -161.7 | -179.9 | 98.6 | 79.3 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 507 | K | 30.8 | Very low | 30.2 | Very low | 183 Ų | 183 | 146.5 Ų | 146.5 | 80% | 0.796 | 78% | 0.776 | S | S | * | * | trans | -110.5 | 134.4 | -168.4 | -62.5 | 173.3 | 179.9 | 173.6 | 0 | 113.5 | ||||
| 508 | K | 31.8 | Very low | 30.1 | Very low | 203 Ų | 203 | 148.5 Ų | 148.5 | 88% | 0.883 | 78% | 0.778 | S | S | * | * | -165.8 | 168.5 | 129.9 | -108.7 | 163.7 | -174.2 | 177.6 | 0 | 112.5 | |||||
| 509 | Y | 30 | Very low | 30.1 | Very low | 233 Ų | 233 | 153.3 Ų | 153.3 | 91% | 0.914 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 143.7 | -162 | -79.4 | -105.1 | 0 | 0 | 0 | 115.1 | ||
| 510 | K | 31.4 | Very low | 29.9 | Very low | 205 Ų | 205 | 151.6 Ų | 151.6 | 89% | 0.891 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 144.3 | 168.9 | -79.7 | -172.1 | 172.9 | -175.7 | 0 | 111.5 | ||
| 511 | S | 28.7 | Very low | 30.2 | Very low | 96 Ų | 96 | 152.5 Ų | 152.5 | 67% | 0.671 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 166 | 155.4 | 53.4 | 0 | 0 | 0 | 0 | 111.2 | ||
| 512 | V | 33.5 | Very low | 30 | Very low | 140 Ų | 140 | 153.9 Ų | 153.9 | 85% | 0.848 | 79% | 0.794 | S | S | * | * | trans | -110.7 | 125.1 | 160.8 | 174.6 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 513 | N | 27.6 | Very low | 30 | Very low | 130 Ų | 130 | 153.7 Ų | 153.7 | 70% | 0.695 | 80% | 0.802 | S | S | * | * | trans | -77.4 | 137.3 | 174 | -72.5 | -6.1 | 0 | 0 | 0 | 110.4 | ||||
| 514 | T | 32.6 | Very low | 29.9 | Very low | 142 Ų | 142 | 152.2 Ų | 152.2 | 87% | 0.871 | 81% | 0.805 | S | S | * | * | trans | -135.6 | 120.6 | 142.2 | 39.4 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 515 | S | 26.2 | Very low | 30 | Very low | 94 Ų | 94 | 152 Ų | 152 | 66% | 0.657 | 81% | 0.808 | S | S | * | * | trans | -149.8 | 102.8 | -177.1 | 56.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 516 | H | 31.2 | Very low | 30.1 | Very low | 194 Ų | 194 | 149.2 Ų | 149.2 | 90% | 0.898 | 81% | 0.807 | S | S | * | * | trans | -129.6 | 99 | 173.6 | -85.7 | -72.4 | 0 | 0 | 0 | 111.4 | ||||
| 517 | H | 29.6 | Very low | 30.1 | Very low | 166 Ų | 166 | 153.7 Ų | 153.7 | 77% | 0.769 | 81% | 0.811 | S | S | * | * | trans | -46.7 | 154.1 | 137.8 | -74.6 | -73.5 | 0 | 0 | 0 | 110 | ||||
| 518 | I | 29.3 | Very low | 29.9 | Very low | 147 Ų | 147 | 150 Ų | 150 | 75% | 0.754 | 81% | 0.808 | S | S | * | * | cis | -152.8 | 152.6 | 14.4 | -121.7 | 152.8 | 0 | 0 | 0 | 105.8 | ||||
| 519 | R | 29.2 | Very low | 29.8 | Very low | 221 Ų | 221 | 148.2 Ų | 148.2 | 83% | 0.834 | 81% | 0.807 | S | S | * | * | -174.3 | 132.7 | 87.1 | -168.2 | 175.2 | -165.3 | 164.7 | 4.1 | 111.7 | |||||
| 520 | S | 26.3 | Very low | 29.6 | Very low | 112 Ų | 112 | 145.8 Ų | 145.8 | 78% | 0.783 | 80% | 0.801 | S | S | * | * | trans | -96.9 | 144.1 | 166.9 | 45.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 521 | T | 31.7 | Very low | 29.6 | Very low | 127 Ų | 127 | 141.6 Ų | 141.6 | 78% | 0.779 | 80% | 0.795 | S | S | * | * | trans | -140 | 115.9 | 163.6 | 47.8 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 522 | S | 26.5 | Very low | 29.6 | Very low | 123 Ų | 123 | 148.2 Ų | 148.2 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | trans | -90.4 | 141.1 | 178.5 | 44.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 523 | C | 32.2 | Very low | 29.4 | Very low | 129 Ų | 129 | 151 Ų | 151 | 87% | 0.872 | 81% | 0.806 | S | S | * | * | trans | -149.9 | 134.6 | 156.1 | 51.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 524 | S | 29.7 | Very low | 29.4 | Very low | 115 Ų | 115 | 149.5 Ų | 149.5 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | trans | -104.5 | 141.1 | 174.5 | -60.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 525 | S | 33.7 | Very low | 29.3 | Very low | 104 Ų | 104 | 150.4 Ų | 150.4 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | 163.5 | 133.7 | 123.7 | -73.9 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 526 | N | 27.5 | Very low | 29.2 | Very low | 150 Ų | 150 | 151.2 Ų | 151.2 | 80% | 0.802 | 81% | 0.806 | S | S | * | * | trans | 37.6 | 111.9 | 142.8 | -54.5 | -13.4 | 0 | 0 | 0 | 119.6 | ||||
| 527 | K | 31.9 | Very low | 29.1 | Very low | 213 Ų | 213 | 150.7 Ų | 150.7 | 93% | 0.926 | 80% | 0.804 | S | S | * | * | -163.4 | 147.3 | 97.3 | -103.2 | 171.7 | -177.1 | -176.8 | 0 | 112.2 | |||||
| 528 | S | 26.4 | Very low | 29.2 | Very low | 105 Ų | 105 | 153.6 Ų | 153.6 | 73% | 0.734 | 81% | 0.808 | S | S | * | * | trans | -97 | 134.1 | 178.4 | 51.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 529 | I | 29.8 | Very low | 29.2 | Very low | 166 Ų | 166 | 158.3 Ų | 158.3 | 85% | 0.851 | 82% | 0.816 | S | S | * | * | trans | -135.7 | 115.4 | 158 | -59.4 | -177.9 | 0 | 0 | 0 | 108.1 | ||||
| 530 | F | 27.4 | Very low | 29.1 | Very low | 182 Ų | 182 | 154.6 Ų | 154.6 | 80% | 0.798 | 82% | 0.818 | S | S | * | * | trans | -95.2 | 147.6 | 162.2 | -82.5 | -88.7 | 0 | 0 | 0 | 108.8 | ||||
| 531 | P | 31.2 | Very low | 29.3 | Very low | 118 Ų | 118 | 153.6 Ų | 153.6 | 77% | 0.766 | 82% | 0.817 | S | S | * | * | trans | -100.4 | 108.4 | 143.9 | 31.8 | -24.4 | 0 | 0 | 0 | 109.2 | ||||
| 532 | R | 27.3 | Very low | 29.2 | Very low | 234 Ų | 234 | 153.7 Ų | 153.7 | 88% | 0.883 | 82% | 0.823 | S | S | * | * | trans | -83.4 | 130.8 | 157.6 | -90.4 | -177.5 | 173.1 | 166.3 | -2.3 | 107.5 | ||||
| 533 | F | 29.7 | Very low | 29.3 | Very low | 198 Ų | 198 | 151.3 Ų | 151.3 | 87% | 0.868 | 82% | 0.817 | S | S | * | * | trans | -120.6 | 135.3 | 151.8 | -98.2 | -81.9 | 0 | 0 | 0 | 109.1 | ||||
| 534 | S | 27.3 | Very low | 29.2 | Very low | 99 Ų | 99 | 152 Ų | 152 | 69% | 0.692 | 81% | 0.813 | S | S | * | * | trans | -97.2 | 141.5 | 176.4 | 43.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 535 | L | 31.6 | Very low | 29.4 | Very low | 161 Ų | 161 | 152.5 Ų | 152.5 | 84% | 0.843 | 81% | 0.813 | S | S | * | * | -161.7 | 148.3 | 124.5 | -129.4 | 69.2 | 0 | 0 | 0 | 114 | |||||
| 536 | T | 24.5 | Very low | 29.1 | Very low | 112 Ų | 112 | 156.1 Ų | 156.1 | 69% | 0.687 | 82% | 0.816 | S | S | * | * | trans | -54.8 | 128.8 | -177.5 | 51.5 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 537 | H | 27.8 | Very low | 29.4 | Very low | 182 Ų | 182 | 156.8 Ų | 156.8 | 84% | 0.843 | 82% | 0.818 | S | S | * | * | trans | -177.2 | 153.1 | 130.3 | -94.2 | -54.3 | 0 | 0 | 0 | 108 | ||||
| 538 | R | 31.3 | Very low | 29.5 | Very low | 227 Ų | 227 | 153.8 Ų | 153.8 | 86% | 0.857 | 81% | 0.81 | S | S | * | * | cis | -147.2 | 160.7 | 19 | -137.2 | 174.2 | -157.8 | 159.9 | 6 | 110.1 | ||||
| 539 | R | 30.2 | Very low | 29.4 | Very low | 246 Ų | 246 | 156.7 Ų | 156.7 | 93% | 0.928 | 82% | 0.817 | S | S | * | * | trans | -59.8 | 138.9 | 174.3 | -72.8 | 178.9 | 174.4 | 161.8 | -2.6 | 111.5 | ||||
| 540 | T | 26.9 | Very low | 29.6 | Very low | 143 Ų | 143 | 153.6 Ų | 153.6 | 88% | 0.877 | 81% | 0.81 | S | S | * | * | trans | -78.7 | 154.1 | 170.3 | 42.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 541 | A | 30.4 | Very low | 29.7 | Very low | 91 Ų | 91 | 152.7 Ų | 152.7 | 75% | 0.752 | 81% | 0.812 | S | S | * | * | trans | -152.5 | 113.4 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 542 | S | 30.8 | Very low | 29.7 | Very low | 129 Ų | 129 | 152.4 Ų | 152.4 | 90% | 0.902 | 81% | 0.812 | S | S | * | * | trans | 51.8 | 127.8 | 167.7 | 60.9 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 543 | G | 28.7 | Very low | 29.6 | Very low | 73 Ų | 73 | 149 Ų | 149 | 75% | 0.753 | 81% | 0.811 | S | S | * | * | trans | -177.2 | -16.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 118 | P545 | G543-P545 WeakPolarHBondContact O-CD 3.42Š| ||
| 544 | D | 29.2 | Very low | 29.7 | Very low | 145 Ų | 145 | 143 Ų | 143 | 78% | 0.775 | 81% | 0.806 | S | S | * | * | trans | -71.8 | 134.7 | -176.5 | -77.5 | -2.9 | 0 | 0 | 0 | 114.2 | ||||
| 545 | P | 34.4 | Very low | 29.7 | Very low | 124 Ų | 124 | 146.5 Ų | 146.5 | 81% | 0.805 | 82% | 0.817 | S | S | * | * | trans | -101.3 | 112.2 | 151.7 | 33.5 | -23.5 | 0 | 0 | 0 | 110.4 | G543 | G543-P545 WeakPolarHBondContact O-CD 3.42Š| ||
| 546 | K | 27.7 | Very low | 29.7 | Very low | 181 Ų | 181 | 141.8 Ų | 141.8 | 79% | 0.787 | 81% | 0.807 | S | S | * | * | trans | -97.8 | 177.4 | 161.7 | -79 | -174.7 | 178.6 | 177.2 | 0 | 110.2 | ||||
| 547 | L | 33.1 | Very low | 30 | Very low | 164 Ų | 164 | 145.2 Ų | 145.2 | 86% | 0.859 | 82% | 0.816 | S | S | * | * | trans | 85.3 | 133.3 | -168.2 | -51.6 | 171.4 | 0 | 0 | 0 | 112.1 | ||||
| 548 | M | 33.2 | Very low | 30.2 | Very low | 150 Ų | 150 | 143.7 Ų | 143.7 | 74% | 0.739 | 81% | 0.814 | S | S | * | * | cis | -147.1 | 128.9 | 8.7 | -143.5 | 155.3 | 66.4 | 0 | 0 | 111.5 | ||||
| 549 | N | 25.9 | Very low | 30.3 | Very low | 166 Ų | 166 | 139.4 Ų | 139.4 | 89% | 0.888 | 81% | 0.813 | S | S | * | * | trans | -84 | 143.6 | 158.5 | -95.4 | 0.7 | 0 | 0 | 0 | 108.3 | ||||
| 550 | S | 32.1 | Very low | 30 | Very low | 100 Ų | 100 | 133 Ų | 133 | 70% | 0.699 | 81% | 0.806 | S | S | * | * | trans | -149.9 | 146.5 | 171.8 | -68.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 551 | I | 29.8 | Very low | 30.2 | Very low | 164 Ų | 164 | 131.9 Ų | 131.9 | 84% | 0.841 | 80% | 0.804 | S | S | * | * | trans | -105 | 138.1 | -162.6 | -61.6 | 162.7 | 0 | 0 | 0 | 110.3 | ||||
| 552 | S | 31.3 | Very low | 30.4 | Very low | 112 Ų | 112 | 136.5 Ų | 136.5 | 78% | 0.783 | 81% | 0.81 | S | S | * | * | trans | -154.8 | 113.2 | 155.5 | 60.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 553 | N | 25.9 | Very low | 30.2 | Very low | 161 Ų | 161 | 139.7 Ų | 139.7 | 86% | 0.861 | 81% | 0.808 | S | S | * | * | trans | -85.3 | 152.3 | 162 | -72.8 | -8.4 | 0 | 0 | 0 | 109.4 | ||||
| 554 | G | 31.5 | Very low | 30.1 | Very low | 74 Ų | 74 | 146 Ų | 146 | 76% | 0.763 | 81% | 0.814 | S | S | * | * | trans | -170.6 | 136.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 555 | N | 27.6 | Very low | 30.1 | Very low | 171 Ų | 171 | 146.7 Ų | 146.7 | 91% | 0.914 | 82% | 0.817 | S | S | * | * | trans | -106.7 | 169.2 | -170.2 | -63.1 | -9.4 | 0 | 0 | 0 | 112.8 | ||||
| 556 | G | 32.4 | Very low | 29.7 | Very low | 62 Ų | 62 | 146 Ų | 146 | 64% | 0.639 | 82% | 0.815 | S | S | * | * | trans | 123.3 | 91.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 557 | E | 30.7 | Very low | 30 | Very low | 185 Ų | 185 | 142.6 Ų | 142.6 | 86% | 0.864 | 81% | 0.812 | S | S | * | * | 76 | 139.5 | 66.3 | -64.8 | -170.7 | 130 | 0 | 0 | 114.6 | |||||
| 558 | D | 30.5 | Very low | 29.6 | Very low | 149 Ų | 149 | 140 Ų | 140 | 80% | 0.797 | 81% | 0.807 | S | S | * | * | trans | 60.3 | 123.3 | 161.8 | -73.7 | 3.6 | 0 | 0 | 0 | 119.8 | ||||
| 559 | T | 33.3 | Very low | 29.3 | Very low | 137 Ų | 137 | 138.1 Ų | 138.1 | 84% | 0.84 | 81% | 0.809 | S | S | * | * | cis | -156.6 | 173.9 | 22.3 | 41.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 560 | S | 25.1 | Very low | 29.4 | Very low | 111 Ų | 111 | 135.1 Ų | 135.1 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | trans | -107.2 | 142.5 | -175.8 | 63.6 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 561 | S | 31.4 | Very low | 29.2 | Very low | 121 Ų | 121 | 139 Ų | 139 | 85% | 0.846 | 81% | 0.813 | S | S | * | * | trans | -160 | 108.8 | 157 | -86.6 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 562 | Q | 33.4 | Very low | 29 | Very low | 187 Ų | 187 | 141 Ų | 141 | 87% | 0.874 | 81% | 0.81 | S | S | * | * | trans | 40.2 | 95.7 | 144 | -55.8 | -168.3 | 4 | 0 | 0 | 123 | ||||
| 563 | K | 26.7 | Very low | 28.7 | Very low | 197 Ų | 197 | 143.7 Ų | 143.7 | 86% | 0.857 | 81% | 0.809 | S | S | * | * | 47.2 | 105.2 | 105 | -171.7 | -177.8 | -175.2 | 175.5 | 0 | 119.7 | |||||
| 564 | K | 28.1 | Very low | 28.6 | Very low | 204 Ų | 204 | 142.6 Ų | 142.6 | 89% | 0.887 | 81% | 0.813 | S | S | * | * | trans | -159.6 | 167.5 | 136.2 | -116.2 | 166.6 | -173.2 | 174.7 | 0 | 114.1 | ||||
| 565 | L | 28.4 | Very low | 28.4 | Very low | 160 Ų | 160 | 143.2 Ų | 143.2 | 84% | 0.838 | 81% | 0.805 | S | S | * | * | trans | -77.1 | 151.1 | -158.3 | -72.1 | 64.8 | 0 | 0 | 0 | 115.4 | ||||
| 566 | S | 25.6 | Very low | 28.3 | Very low | 109 Ų | 109 | 140 Ų | 140 | 76% | 0.762 | 80% | 0.797 | S | S | * | * | trans | -80.3 | 175.4 | 157 | 57.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 567 | P | 35.2 | Very low | 28.2 | Very low | 111 Ų | 111 | 143.4 Ų | 143.4 | 72% | 0.721 | 81% | 0.811 | S | S | * | * | cis | -141.8 | -175.4 | 13.1 | 44.2 | -25.6 | 0 | 0 | 0 | 117.6 | ||||
| 568 | S | 24.7 | Very low | 28.2 | Very low | 108 Ų | 108 | 137.8 Ų | 137.8 | 76% | 0.755 | 79% | 0.792 | S | S | * | * | trans | 83.9 | 133.6 | 151.8 | 78.9 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 569 | S | 25.5 | Very low | 28.1 | Very low | 112 Ų | 112 | 137 Ų | 137 | 78% | 0.783 | 80% | 0.795 | S | S | * | * | trans | 125.6 | 72.6 | 148.4 | 71 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 570 | S | 28.5 | Very low | 28.2 | Very low | 102 Ų | 102 | 138.2 Ų | 138.2 | 71% | 0.713 | 79% | 0.789 | S | S | * | * | trans | -165.5 | 85.4 | 152.4 | -88.6 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 571 | L | 27.4 | Very low | 28.5 | Very low | 181 Ų | 181 | 141.7 Ų | 141.7 | 95% | 0.948 | 79% | 0.79 | S | S | * | * | trans | -89.2 | 121.2 | 149.1 | -98.2 | 76 | 0 | 0 | 0 | 107.9 | ||||
| 572 | R | 25.5 | Very low | 28.5 | Very low | 207 Ų | 207 | 143.6 Ų | 143.6 | 78% | 0.781 | 79% | 0.785 | S | S | * | * | trans | -116.8 | 163.6 | 161.4 | -62.3 | -171.4 | -172.5 | -158.6 | 3 | 108.1 | ||||
| 573 | H | 26.4 | Very low | 28.4 | Very low | 168 Ų | 168 | 137 Ų | 137 | 78% | 0.778 | 76% | 0.763 | S | S | * | * | trans | 72.7 | 64.5 | -178.5 | -56.2 | -71.5 | 0 | 0 | 0 | 117.3 | ||||
| 574 | C | 23.3 | Very low | 28.7 | Very low | 139 Ų | 139 | 128.8 Ų | 128.8 | 94% | 0.939 | 73% | 0.728 | S | S | * | * | trans | -92.2 | 119.6 | 131.1 | -74.7 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 575 | S | 26.6 | Very low | 29.1 | Very low | 86 Ų | 86 | 121.8 Ų | 121.8 | 60% | 0.601 | 70% | 0.7 | S | S | * | * | trans | -144.2 | 110.2 | -174.4 | -59.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 576 | S | 26.2 | Very low | 29.4 | Very low | 104 Ų | 104 | 121.6 Ų | 121.6 | 73% | 0.727 | 69% | 0.693 | S | S | * | * | trans | 46.3 | 83 | 158.5 | 52.7 | 0 | 0 | 0 | 0 | 119.3 | S578 | S576-S578 PolarHBondContact O-N 2.94Å; S576-S578 PolarHBondContact O-OG 3.33Å | ||
| 577 | S | 30 | Very low | 29.9 | Very low | 134 Ų | 134 | 119.2 Ų | 119.2 | 94% | 0.937 | 67% | 0.667 | S | S | * | * | trans | -61.7 | 105.9 | 151.9 | 43.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 578 | S | 30 | Very low | 29.9 | Very low | 66 Ų | 66 | 116.8 Ų | 116.8 | 46% | 0.462 | 64% | 0.644 | S | S | . | * | trans | -89.2 | 156.4 | -166.5 | 6.6 | 0 | 0 | 0 | 0 | 113.2 | S576 K580 | S576-S578 PolarHBondContact O-N 2.94Å; S576-S578 PolarHBondContact O-OG 3.33Å; S578-K580 PolarHBondContact O-N 3.41Å | ||
| 579 | P | 29.4 | Very low | 30.3 | Very low | 134 Ų | 134 | 119.1 Ų | 119.1 | 87% | 0.87 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -74.2 | 87.2 | -168.5 | 30.2 | -36.6 | 0 | 0 | 0 | 113.1 | ||
| 580 | K | 34 | Very low | 30.7 | Very low | 162 Ų | 162 | 119.5 Ų | 119.5 | 70% | 0.704 | 63% | 0.629 | S | S | * | * | trans | -107.7 | -10.1 | 177.3 | -68.6 | 179.9 | 179.5 | 173.7 | 0 | 114.9 | S578 | S578-K580 PolarHBondContact O-N 3.41Š| ||
| 581 | F | 32 | Very low | 30.9 | Very low | 184 Ų | 184 | 116 Ų | 116 | 81% | 0.807 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.8 | -35.8 | -173.3 | -72.6 | -86.4 | 0 | 0 | 0 | 114.5 | A583 L584 | F581-A583 VanDerWaalsContact C-N 3.31Å; F581-A583 PolarHBondContact O-N 2.96Å; F581-L584 PolarHBondContact O-N 3.08Å |
| 582 | H | 31.3 | Very low | 31.2 | Very low | 161 Ų | 161 | 109.7 Ų | 109.7 | 75% | 0.745 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -70.6 | -13.3 | -172.4 | -91.7 | -61.9 | 0 | 0 | 0 | 116.6 | ||
| 583 | A | 32.3 | Very low | 31.5 | Very low | 49 Ų | 49 | 111 Ų | 111 | 41% | 0.405 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -73.2 | -36.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | F581 | F581-A583 VanDerWaalsContact C-N 3.31Å; F581-A583 PolarHBondContact O-N 2.96Å |
| 584 | L | 32.9 | Very low | 32 | Very low | 24 Ų | 24 | 104.4 Ų | 104.4 | 13% | 0.126 | 55% | 0.546 | C | S | . | . | H | α-helix | trans | -75.3 | -37 | -169 | -81.3 | 155.4 | 0 | 0 | 0 | 114 | F581 K586 R587 Y588 W695 | F581-L584 PolarHBondContact O-N 3.08Å; L584-K586 PolarHBondContact O-N 3.04Å; L584-K586 VanDerWaalsContact O-N 3.16Å; L584-R587 PolarHBondContact O-N 3.29Å; L584-Y588 HydrophobicContact CD2-CE2 4.38Å; L584-Y588 WeakPolarHBondContact O-CD2 3.22Å; L584-Y588 PolarHBondContact O-N 3.02Å; L584-W695 HydrophobicContact CD2-CH2 3.89Å; L584-W695 HydrophobicContact CD2-CZ2 3.48Å; L584-W695 VanDerWaalsContact CD2-CZ2 3.48Å |
| 585 | D | 36.4 | Very low | 33.2 | Very low | 57 Ų | 57 | 99.3 Ų | 99.3 | 31% | 0.305 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -41.9 | -47.3 | 171.3 | 167 | 29.8 | 0 | 0 | 0 | 111.9 | R587 Y588 R589 | D585-R587 VanDerWaalsContact C-N 3.27Å; D585-R587 PolarHBondContact O-N 3.35Å; D585-R587 VanDerWaalsContact O-N 3.14Å; D585-Y588 PolarHBondContact O-N 3Å; D585-R589 WeakPolarHBondContact O-CG 3.32Å; D585-R589 PolarHBondContact O-N 2.97Å; D585-R589 WeakPolarHBondContact OD1-CG 3.3Å; D585-R589 IonicContact OD1-CZ 2.85Å; D585-R589 IonicContact OD1-NE 2.72Å; D585-R589 PolarHBondContact OD1-NE 2.89Å; D585-R589 IonicContact OD1-NH2 3.68Å; D585-R589 IonicContact OD2-CZ 3.69Å; D585-R589 IonicContact OD2-NE 3.7Å; D585-R589 PolarHBondContact OD2-NE 3.4Å; D585-R589 IonicContact OD2-NH2 2.72Å; D585-R589 PolarHBondContact OD2-NH2 3.44Å |
| 586 | K | 34.8 | Very low | 34.2 | Very low | 156 Ų | 156 | 95.9 Ų | 95.9 | 68% | 0.678 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -61.3 | -26.1 | -177.3 | -67.2 | -172.6 | 177.5 | -178 | 0 | 115.1 | L584 | L584-K586 PolarHBondContact O-N 3.04Å; L584-K586 VanDerWaalsContact O-N 3.16Å |
| 587 | R | 35.7 | Very low | 35.2 | Very low | 58 Ų | 58 | 92.3 Ų | 92.3 | 22% | 0.219 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -88.8 | -25.9 | 175.6 | -72.7 | -162.9 | -82.2 | 144.5 | 5.1 | 112.8 | L584 D585 G673 D694 W695 | L584-R587 PolarHBondContact O-N 3.29Å; D585-R587 VanDerWaalsContact C-N 3.27Å; D585-R587 PolarHBondContact O-N 3.35Å; D585-R587 VanDerWaalsContact O-N 3.14Å; R587-G673 WeakPolarHBondContact CD-O 3.44Å; R587-G673 PolarHBondContact NH1-O 3.22Å; R587-D694 IonicContact CZ-OD2 3.53Å; R587-D694 IonicContact NE-OD2 2.76Å; R587-D694 PolarHBondContact NE-OD2 3.3Å; R587-D694 IonicContact NH2-OD2 3.44Å; R587-D694 PolarHBondContact NH2-OD2 3.4Å; R587-W695 VanDerWaalsContact NH2-CH2 3.34Å |
| 588 | Y | 35.2 | Very low | 36.1 | Very low | 60 Ų | 60 | 87.8 Ų | 87.8 | 24% | 0.235 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -84.4 | -26.6 | 178 | -72 | -72.1 | 0 | 0 | 0 | 114.2 | I176 L584 D585 N590 L591 H592 | I176-Y588 HydrophobicContact CG2-CD1 3.84Å; I176-Y588 HydrophobicContact CG2-CE1 3.37Å; L584-Y588 HydrophobicContact CD2-CE2 4.38Å; L584-Y588 WeakPolarHBondContact O-CD2 3.22Å; L584-Y588 PolarHBondContact O-N 3.02Å; D585-Y588 PolarHBondContact O-N 3Å; Y588-N590 PolarHBondContact O-N 2.86Å; Y588-L591 HydrophobicContact CD1-CD1 3.6Å; Y588-L591 HydrophobicContact CE1-CD1 3.79Å; Y588-L591 WeakPolarHBondContact O-CB 3.32Å; Y588-L591 PolarHBondContact O-N 3.36Å; Y588-H592 PolarHBondContact O-CD2 3.08Å; Y588-H592 PolarHBondContact O-N 3.49Å |
| 589 | R | 33.5 | Very low | 37 | Very low | 158 Ų | 158 | 84.8 Ų | 84.8 | 60% | 0.596 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -56.3 | -22.9 | 170.6 | -69.1 | -171.9 | -162.4 | -163.9 | 6.2 | 114.4 | D585 | D585-R589 WeakPolarHBondContact O-CG 3.32Å; D585-R589 PolarHBondContact O-N 2.97Å; D585-R589 WeakPolarHBondContact OD1-CG 3.3Å; D585-R589 IonicContact OD1-CZ 2.85Å; D585-R589 IonicContact OD1-NE 2.72Å; D585-R589 PolarHBondContact OD1-NE 2.89Å; D585-R589 IonicContact OD1-NH2 3.68Å; D585-R589 IonicContact OD2-CZ 3.69Å; D585-R589 IonicContact OD2-NE 3.7Å; D585-R589 PolarHBondContact OD2-NE 3.4Å; D585-R589 IonicContact OD2-NH2 2.72Å; D585-R589 PolarHBondContact OD2-NH2 3.44Å |
| 590 | N | 33 | Very low | 38 | Very low | 120 Ų | 120 | 79.8 Ų | 79.8 | 64% | 0.642 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -82.6 | -34.7 | 174.5 | -69.8 | -13.3 | 0 | 0 | 0 | 112.5 | Y588 H592 R593 S594 | Y588-N590 PolarHBondContact O-N 2.86Å; N590-H592 VanDerWaalsContact C-N 3.3Å; N590-R593 CarbonylContact O-C 3.56Å; N590-R593 WeakPolarHBondContact O-CA 3.39Å; N590-R593 PolarHBondContact O-N 2.93Å; N590-S594 PolarHBondContact O-N 3.24Å |
| 591 | L | 32.4 | Very low | 38.9 | Very low | 27 Ų | 27 | 73.4 Ų | 73.4 | 14% | 0.141 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -66.7 | -31.5 | 171 | -84.5 | 151.9 | 0 | 0 | 0 | 111.9 | I176 Y588 R593 S594 | I176-L591 HydrophobicContact CD1-CB 4.31Å; I176-L591 HydrophobicContact CD1-CD2 4.38Å; Y588-L591 HydrophobicContact CD1-CD1 3.6Å; Y588-L591 HydrophobicContact CE1-CD1 3.79Å; Y588-L591 WeakPolarHBondContact O-CB 3.32Å; Y588-L591 PolarHBondContact O-N 3.36Å; L591-R593 PolarHBondContact O-N 3.02Å; L591-S594 PolarHBondContact O-N 3.22Å; L591-S594 PolarHBondContact O-OG 2.88Å |
| 592 | H | 34.5 | Very low | 39.8 | Very low | 50 Ų | 50 | 66.4 Ų | 66.4 | 23% | 0.231 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | -17.3 | 167.5 | -88.9 | -116.3 | 0 | 0 | 0 | 113.9 | Q169 E173 Y588 N590 | Q169-H592 WeakPolarHBondContact CG-ND1 3.44Å; Q169-H592 PolarHBondContact NE2-O 3.33Å; E173-H592 WeakPolarHBondContact CG-NE2 3.39Å; E173-H592 IonicContact OE1-CE1 3.69Å; E173-H592 IonicContact OE1-NE2 2.7Å; E173-H592 PolarHBondContact OE1-NE2 3.36Å; E173-H592 IonicContact OE2-CE1 3.7Å; E173-H592 PolarHBondContact OE2-CE1 2.98Å; E173-H592 VanDerWaalsContact OE2-CE1 3.22Å; E173-H592 IonicContact OE2-NE2 3.74Å; Y588-H592 PolarHBondContact O-CD2 3.08Å; Y588-H592 PolarHBondContact O-N 3.49Å; N590-H592 VanDerWaalsContact C-N 3.3Å |
| 593 | R | 32.5 | Very low | 40.7 | Very low | 233 Ų | 233 | 59.8 Ų | 59.8 | 88% | 0.879 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.3 | 6.1 | -177.2 | -138.5 | 179.8 | -169.3 | -160.4 | 2.1 | 113.5 | N590 L591 | N590-R593 CarbonylContact O-C 3.56Å; N590-R593 WeakPolarHBondContact O-CA 3.39Å; N590-R593 PolarHBondContact O-N 2.93Å; L591-R593 PolarHBondContact O-N 3.02Å |
| 594 | S | 36.2 | Very low | 41.4 | Very low | 30 Ų | 30 | 60.3 Ų | 60.3 | 21% | 0.21 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -97 | 168.8 | -173.5 | 81.8 | 0 | 0 | 0 | 0 | 113.1 | R168 N590 L591 D598 | R168-S594 PolarHBondContact NH2-O 2.82Å; N590-S594 PolarHBondContact O-N 3.24Å; L591-S594 PolarHBondContact O-N 3.22Å; L591-S594 PolarHBondContact O-OG 2.88Å; S594-D598 VanDerWaalsContact CB-OD2 3.3Å; S594-D598 WeakPolarHBondContact CB-OD2 3.43Å |
| 595 | S | 47.6 | Very low | 42 | Very low | 32 Ų | 32 | 61.9 Ų | 61.9 | 22% | 0.224 | 28% | 0.283 | C | S | . | . | trans | -75.5 | 157.4 | 177 | -166.6 | 0 | 0 | 0 | 0 | 111.1 | R244 D597 D598 F599 | R244-S595 PolarHBondContact NH1-OG 2.8Å; S595-D597 PolarHBondContact O-N 3.4Å; S595-D597 PolarHBondContact OG-OD2 2.92Å; S595-D598 WeakPolarHBondContact CA-OD2 3.47Å; S595-D598 WeakPolarHBondContact CB-OD2 3.4Å; S595-D598 PolarHBondContact N-OD2 3.3Å; S595-D598 WeakPolarHBondContact O-CB 3.42Å; S595-D598 PolarHBondContact O-N 3.12Å; S595-F599 PolarHBondContact O-N 3.01Å | ||
| 596 | L | 47.9 | Very low | 42 | Very low | 15 Ų | 15 | 60 Ų | 60 | 8% | 0.079 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -50.2 | -34.3 | 163.7 | 174.1 | 64.9 | 0 | 0 | 0 | 112 | A147 A150 E154 D598 F599 M600 | A147-L596 HydrophobicContact CB-CD1 4.33Å; A150-L596 HydrophobicContact CB-CD1 4.04Å; E154-L596 VanDerWaalsContact OE1-CB 3.25Å; E154-L596 WeakPolarHBondContact OE1-CB 3.48Å; E154-L596 PolarHBondContact OE1-N 3.36Å; L596-D598 VanDerWaalsContact C-N 3.27Å; L596-D598 PolarHBondContact O-N 3.45Å; L596-F599 HydrophobicContact CD1-CD1 3.93Å; L596-F599 PolarHBondContact O-N 3.43Å; L596-M600 HydrophobicContact CD1-CG 3.93Å; L596-M600 HydrophobicContact CG-CG 4.14Å; L596-M600 WeakPolarHBondContact O-CB 3.22Å; L596-M600 WeakPolarHBondContact O-CG 3.34Å; L596-M600 PolarHBondContact O-N 3.34Å |
| 597 | D | 46.6 | Very low | 42 | Very low | 29 Ų | 29 | 54.5 Ų | 54.5 | 16% | 0.155 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -58.4 | -37.7 | 176.7 | -66.4 | -64.1 | 0 | 0 | 0 | 112.4 | R244 T246 I247 S595 M600 L601 | R244-D597 IonicContact CZ-OD2 3.83Å; R244-D597 IonicContact NH1-OD2 2.76Å; R244-D597 PolarHBondContact NH1-OD2 3.43Å; T246-D597 WeakPolarHBondContact CA-OD1 3.49Å; T246-D597 WeakPolarHBondContact CB-OD1 3.32Å; I247-D597 PolarHBondContact N-OD1 2.96Å; S595-D597 PolarHBondContact O-N 3.4Å; S595-D597 PolarHBondContact OG-OD2 2.92Å; D597-M600 PolarHBondContact O-N 3.3Å; D597-L601 VanDerWaalsContact O-CB 3.27Å; D597-L601 WeakPolarHBondContact O-CB 3.4Å; D597-L601 PolarHBondContact O-N 2.87Å |
| 598 | D | 49.7 | Very low | 41.8 | Very low | 39 Ų | 39 | 54.6 Ų | 54.6 | 21% | 0.209 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -73.1 | -39.7 | 178.7 | -52.7 | -62.4 | 0 | 0 | 0 | 111.6 | S594 S595 L596 M600 L601 F602 | S594-D598 VanDerWaalsContact CB-OD2 3.3Å; S594-D598 WeakPolarHBondContact CB-OD2 3.43Å; S595-D598 WeakPolarHBondContact CA-OD2 3.47Å; S595-D598 WeakPolarHBondContact CB-OD2 3.4Å; S595-D598 PolarHBondContact N-OD2 3.3Å; S595-D598 WeakPolarHBondContact O-CB 3.42Å; S595-D598 PolarHBondContact O-N 3.12Å; L596-D598 VanDerWaalsContact C-N 3.27Å; L596-D598 PolarHBondContact O-N 3.45Å; D598-M600 VanDerWaalsContact C-N 3.34Å; D598-L601 PolarHBondContact O-N 3.22Å; D598-F602 WeakPolarHBondContact O-CB 3.33Å; D598-F602 PolarHBondContact O-N 2.87Å |
| 599 | F | 48.6 | Very low | 41.8 | Very low | 3 Ų | 3 | 54.6 Ų | 54.6 | 1% | 0.013 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.4 | -39.8 | 172.2 | 171.7 | -106.4 | 0 | 0 | 0 | 111.6 | M143 I146 A147 V172 A175 I176 S595 L596 F602 L603 | M143-F599 HydrophobicContact CE-CE2 3.56Å; M143-F599 HydrophobicContact CE-CZ 3.51Å; I146-F599 HydrophobicContact CG2-CZ 4.36Å; A147-F599 HydrophobicContact CB-CE1 4.09Å; V172-F599 HydrophobicContact CG1-CB 4.42Å; V172-F599 HydrophobicContact CG1-CD2 3.75Å; V172-F599 HydrophobicContact CG1-CE2 4.1Å; V172-F599 HydrophobicContact CG1-CG 4.09Å; A175-F599 HydrophobicContact CB-CE2 4.03Å; A175-F599 HydrophobicContact CB-CZ 3.85Å; I176-F599 HydrophobicContact CD1-CD2 4.05Å; I176-F599 HydrophobicContact CD1-CE2 4.48Å; I176-F599 HydrophobicContact CG1-CD2 3.71Å; I176-F599 HydrophobicContact CG1-CE2 3.74Å; S595-F599 PolarHBondContact O-N 3.01Å; L596-F599 HydrophobicContact CD1-CD1 3.93Å; L596-F599 PolarHBondContact O-N 3.43Å; F599-F602 WeakPolarHBondContact O-CB 3.46Å; F599-F602 PolarHBondContact O-N 2.7Å; F599-L603 HydrophobicContact CD1-CD1 3.97Å; F599-L603 HydrophobicContact CE1-CD1 3.54Å; F599-L603 HydrophobicContact CE2-CD1 4.3Å; F599-L603 HydrophobicContact CZ-CD1 3.74Å; F599-L603 WeakPolarHBondContact O-CB 3.39Å; F599-L603 WeakPolarHBondContact O-CG 3.38Å; F599-L603 PolarHBondContact O-N 2.95Å |
| 600 | M | 51 | Low | 42.2 | Very low | 29 Ų | 29 | 55.6 Ų | 55.6 | 14% | 0.143 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -73.5 | -32.6 | 176.7 | -73.7 | -63.1 | -77.3 | 0 | 0 | 112.8 | A147 I247 N248 L596 D597 D598 L603 K604 | A147-M600 HydrophobicContact CB-CE 4.21Å; A147-M600 HydrophobicContact CB-CG 4.34Å; A147-M600 HydrophobicContact CB-SD 3.31Å; A147-M600 WeakPolarHBondContact CB-SD 3.49Å; I247-M600 HydrophobicContact CG2-CB 3.46Å; I247-M600 VanDerWaalsContact CG2-CB 3.46Å; I247-M600 HydrophobicContact CG2-CG 4.49Å; N248-M600 VanDerWaalsContact ND2-CE 3.27Å; N248-M600 WeakPolarHBondContact ND2-CE 3.36Å; L596-M600 HydrophobicContact CD1-CG 3.93Å; L596-M600 HydrophobicContact CG-CG 4.14Å; L596-M600 WeakPolarHBondContact O-CB 3.22Å; L596-M600 WeakPolarHBondContact O-CG 3.34Å; L596-M600 PolarHBondContact O-N 3.34Å; D597-M600 PolarHBondContact O-N 3.3Å; D598-M600 VanDerWaalsContact C-N 3.34Å; M600-L603 PolarHBondContact O-N 3.48Å; M600-L603 HydrophobicContact SD-CD1 3.85Å; M600-K604 WeakPolarHBondContact O-CB 3.47Å; M600-K604 PolarHBondContact O-N 2.65Å |
| 601 | L | 53 | Low | 42.7 | Very low | 28 Ų | 28 | 56.8 Ų | 56.8 | 15% | 0.147 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.9 | -45 | 169.6 | -176.3 | 66.9 | 0 | 0 | 0 | 111.1 | I247 D597 D598 L603 N605 | I247-L601 HydrophobicContact CD1-CB 3.83Å; I247-L601 HydrophobicContact CD1-CD1 3.6Å; I247-L601 HydrophobicContact CD1-CG 4.33Å; D597-L601 VanDerWaalsContact O-CB 3.27Å; D597-L601 WeakPolarHBondContact O-CB 3.4Å; D597-L601 PolarHBondContact O-N 2.87Å; D598-L601 PolarHBondContact O-N 3.22Å; L601-L603 VanDerWaalsContact C-N 3.32Å; L601-L603 PolarHBondContact O-N 2.93Å; L601-N605 WeakPolarHBondContact CD1-ND2 3.4Å; L601-N605 WeakPolarHBondContact O-CB 3.34Å; L601-N605 VanDerWaalsContact O-CG 3.24Å; L601-N605 PolarHBondContact O-N 2.9Å; L601-N605 VanDerWaalsContact O-N 3.13Å; L601-N605 PolarHBondContact O-ND2 3.07Å |
| 602 | F | 51.3 | Low | 43.4 | Very low | 37 Ų | 37 | 56.9 Ų | 56.9 | 16% | 0.162 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -57.5 | -43.7 | 172.1 | 167.7 | -106.1 | 0 | 0 | 0 | 111.7 | I176 D598 F599 G606 | I176-F602 HydrophobicContact CG1-CE1 4.28Å; I176-F602 HydrophobicContact CG2-CE1 4.36Å; I176-F602 HydrophobicContact CG2-CZ 4.49Å; D598-F602 WeakPolarHBondContact O-CB 3.33Å; D598-F602 PolarHBondContact O-N 2.87Å; F599-F602 WeakPolarHBondContact O-CB 3.46Å; F599-F602 PolarHBondContact O-N 2.7Å; F602-G606 WeakPolarHBondContact O-CA 3.48Å; F602-G606 PolarHBondContact O-N 3.41Å |
| 603 | L | 48.9 | Very low | 44.2 | Very low | 21 Ų | 21 | 57.4 Ų | 57.4 | 11% | 0.11 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -66.8 | -50.2 | 177.3 | -83.9 | 173.3 | 0 | 0 | 0 | 114 | M143 F599 M600 L601 N605 G606 | M143-L603 HydrophobicContact CB-CD1 3.9Å; M143-L603 HydrophobicContact CB-CD2 3.61Å; M143-L603 HydrophobicContact CB-CG 4.42Å; M143-L603 HydrophobicContact CE-CD1 4.14Å; M143-L603 HydrophobicContact CE-CD2 3.57Å; M143-L603 HydrophobicContact CE-CG 4.13Å; M143-L603 HydrophobicContact CG-CD2 3.69Å; M143-L603 HydrophobicContact SD-CD2 4.49Å; F599-L603 HydrophobicContact CD1-CD1 3.97Å; F599-L603 HydrophobicContact CE1-CD1 3.54Å; F599-L603 HydrophobicContact CE2-CD1 4.3Å; F599-L603 HydrophobicContact CZ-CD1 3.74Å; F599-L603 WeakPolarHBondContact O-CB 3.39Å; F599-L603 WeakPolarHBondContact O-CG 3.38Å; F599-L603 PolarHBondContact O-N 2.95Å; M600-L603 PolarHBondContact O-N 3.48Å; M600-L603 HydrophobicContact SD-CD1 3.85Å; L601-L603 VanDerWaalsContact C-N 3.32Å; L601-L603 PolarHBondContact O-N 2.93Å; L603-N605 PolarHBondContact O-N 3.49Å; L603-G606 PolarHBondContact O-N 3.1Å |
| 604 | K | 46.6 | Very low | 45.6 | Very low | 61 Ų | 61 | 53.3 Ų | 53.3 | 27% | 0.265 | 28% | 0.28 | S | S | . | . | I | π-helix | trans | -60.5 | -35.6 | -177.8 | -168.1 | 155.9 | -171.8 | 163.9 | 0 | 111 | E70 M600 S609 | E70-K604 IonicContact OE1-NZ 2.77Å; E70-K604 PolarHBondContact OE1-NZ 3.06Å; E70-K604 IonicContact OE2-NZ 3.91Å; E70-K604 PolarHBondContact OE2-NZ 3.1Å; M600-K604 WeakPolarHBondContact O-CB 3.47Å; M600-K604 PolarHBondContact O-N 2.65Å; K604-S609 WeakPolarHBondContact O-CB 3.34Å; K604-S609 PolarHBondContact O-N 2.88Å; K604-S609 VanDerWaalsContact O-N 3.08Å |
| 605 | N | 47 | Very low | 47.1 | Very low | 56 Ų | 56 | 62.7 Ų | 62.7 | 30% | 0.299 | 31% | 0.311 | S | S | . | . | I | π-helix | trans | -83.5 | -17.1 | 175.5 | -63.9 | -27.8 | 0 | 0 | 0 | 114.4 | L601 L603 L670 | L601-N605 WeakPolarHBondContact CD1-ND2 3.4Å; L601-N605 WeakPolarHBondContact O-CB 3.34Å; L601-N605 VanDerWaalsContact O-CG 3.24Å; L601-N605 PolarHBondContact O-N 2.9Å; L601-N605 VanDerWaalsContact O-N 3.13Å; L601-N605 PolarHBondContact O-ND2 3.07Å; L603-N605 PolarHBondContact O-N 3.49Å; N605-L670 HydrophobicContact CB-CD2 4.31Å |
| 606 | G | 36.3 | Very low | 48.3 | Very low | 19 Ų | 19 | 63.4 Ų | 63.4 | 20% | 0.196 | 31% | 0.311 | C | S | . | . | I | π-helix | trans | -82.1 | -42.7 | -171.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q183 F602 L603 | Q183-G606 PolarHBondContact NE2-O 3.44Å; Q183-G606 VanDerWaalsContact NE2-O 3.08Å; F602-G606 WeakPolarHBondContact O-CA 3.48Å; F602-G606 PolarHBondContact O-N 3.41Å; L603-G606 PolarHBondContact O-N 3.1Å |
| 607 | L | 33.9 | Very low | 49.7 | Very low | 40 Ų | 40 | 63 Ų | 63 | 21% | 0.209 | 31% | 0.31 | C | S | . | . | I | π-helix | trans | -138.4 | -29.1 | -172.9 | -78.2 | 90.2 | 0 | 0 | 0 | 116.1 | L140 N179 Q183 | L140-L607 HydrophobicContact CD2-CB 3.83Å; L140-L607 HydrophobicContact CD2-CD2 4Å; L140-L607 HydrophobicContact CD2-CG 4.45Å; L140-L607 HydrophobicContact CG-CD2 4.37Å; N179-L607 WeakPolarHBondContact OD1-CD1 3.29Å; Q183-L607 HydrophobicContact CG-CD1 4.26Å |
| 608 | G | 31.2 | Very low | 51.3 | Low | 60 Ų | 60 | 62.5 Ų | 62.5 | 62% | 0.619 | 31% | 0.308 | S | S | * | . | I | π-helix | trans | -113.9 | -44.6 | -160.2 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||
| 609 | S | 36 | Very low | 52.8 | Low | 59 Ų | 59 | 67 Ų | 67 | 41% | 0.413 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -66.3 | 155.6 | 171.8 | -166 | 0 | 0 | 0 | 0 | 109.4 | K604 K611 | K604-S609 WeakPolarHBondContact O-CB 3.34Å; K604-S609 PolarHBondContact O-N 2.88Å; K604-S609 VanDerWaalsContact O-N 3.08Å; S609-K611 PolarHBondContact O-N 2.93Å |
| 610 | R | 41.9 | Very low | 54.2 | Low | 180 Ų | 180 | 73.2 Ų | 73.2 | 68% | 0.679 | 36% | 0.36 | S | S | * | . | trans | -44.8 | 105 | 178.4 | -81.6 | -178.2 | 169.7 | -169.9 | -6 | 109 | P612 | R610-P612 VanDerWaalsContact O-N 3.16Š| ||
| 611 | K | 42.7 | Very low | 55.3 | Low | 145 Ų | 145 | 72.8 Ų | 72.8 | 63% | 0.63 | 36% | 0.358 | S | S | * | . | trans | -46.3 | 127.4 | 177.2 | -69.9 | 179.8 | 178.4 | 177.1 | 0 | 106.6 | S609 T613 | S609-K611 PolarHBondContact O-N 2.93Å; K611-T613 WeakPolarHBondContact O-CG2 3.41Å; K611-T613 PolarHBondContact O-N 3.16Å | ||
| 612 | P | 47.2 | Very low | 56.5 | Low | 29 Ų | 29 | 72.9 Ų | 72.9 | 19% | 0.188 | 37% | 0.365 | C | S | . | . | trans | -59 | 107.6 | 178.2 | 23.3 | -32.4 | 0 | 0 | 0 | 107.1 | R610 T653 Y655 L668 L670 | R610-P612 VanDerWaalsContact O-N 3.16Å; P612-T653 HydrophobicContact CB-CG2 3.96Å; P612-T653 HydrophobicContact CG-CG2 4.35Å; P612-Y655 HydrophobicContact CB-CE1 4.33Å; P612-Y655 WeakPolarHBondContact CB-OH 3.35Å; P612-L668 HydrophobicContact CB-CD1 4.14Å; P612-L668 HydrophobicContact CB-CD2 4.43Å; P612-L668 HydrophobicContact CG-CD1 4.08Å; P612-L668 WeakPolarHBondContact O-CD2 3.4Å; P612-L670 HydrophobicContact CG-CD1 3.88Å; P612-L670 HydrophobicContact CG-CD2 3.9Å; P612-L670 HydrophobicContact CG-CG 3.9Å | ||
| 613 | T | 51.5 | Low | 57.6 | Low | 61 Ų | 61 | 79.7 Ų | 79.7 | 37% | 0.374 | 40% | 0.395 | S | S | . | . | trans | -95.3 | 157.2 | -174.7 | 87.1 | 0 | 0 | 0 | 0 | 109.3 | K611 R615 L668 | K611-T613 WeakPolarHBondContact O-CG2 3.41Å; K611-T613 PolarHBondContact O-N 3.16Å; T613-R615 PolarHBondContact O-N 3.48Å; T613-R615 WeakPolarHBondContact OG1-CA 3.5Å; T613-R615 PolarHBondContact OG1-N 3.31Å; T613-R615 PolarHBondContact OG1-O 2.99Å; T613-L668 VanDerWaalsContact C-CD2 3.47Å | ||
| 614 | R | 62 | Low | 59 | Low | 146 Ų | 146 | 79.5 Ų | 79.5 | 55% | 0.551 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -70.1 | -18.5 | 166.9 | -66 | -172.9 | -155.7 | -162.1 | 13.9 | 112.2 | I616 S664 A665 E666 L668 | R614-I616 VanDerWaalsContact C-N 3.26Å; R614-I616 PolarHBondContact O-N 3.05Å; R614-I616 VanDerWaalsContact O-N 3.1Å; R614-S664 CarbonylContact O-C 3.48Å; R614-S664 WeakPolarHBondContact O-CA 3.29Å; R614-S664 WeakPolarHBondContact O-CB 3.38Å; R614-A665 WeakPolarHBondContact CB-O 3.43Å; R614-A665 PolarHBondContact O-N 2.93Å; R614-E666 PolarHBondContact NH1-O 3.38Å; R614-L668 HydrophobicContact CG-CD2 3.89Å |
| 615 | R | 67.8 | Low | 60.6 | Low | 227 Ų | 227 | 79.3 Ų | 79.3 | 86% | 0.857 | 40% | 0.4 | S | S | * | . | trans | -85.7 | 57.8 | 178.2 | -61.8 | -176.1 | 176.4 | -166.5 | -1.5 | 111.7 | T613 | T613-R615 PolarHBondContact O-N 3.48Å; T613-R615 WeakPolarHBondContact OG1-CA 3.5Å; T613-R615 PolarHBondContact OG1-N 3.31Å; T613-R615 PolarHBondContact OG1-O 2.99Å | ||
| 616 | I | 72.2 | Confident | 62.6 | Low | 47 Ų | 47 | 77 Ų | 77 | 24% | 0.241 | 39% | 0.388 | C | S | . | . | trans | -136.1 | 122.1 | 171 | -68.5 | 176.9 | 0 | 0 | 0 | 106 | R614 D620 L621 Y657 D663 | R614-I616 VanDerWaalsContact C-N 3.26Å; R614-I616 PolarHBondContact O-N 3.05Å; R614-I616 VanDerWaalsContact O-N 3.1Å; I616-D620 HydrophobicContact CG2-CB 4.21Å; I616-L621 HydrophobicContact CG2-CB 4.02Å; I616-L621 HydrophobicContact CG2-CD1 4.4Å; I616-Y657 WeakPolarHBondContact O-CE1 3.45Å; I616-Y657 PolarHBondContact O-OH 3.03Å; I616-D663 CarbonylContact C-O 3.49Å | ||
| 617 | S | 79.2 | Confident | 65.3 | Low | 8 Ų | 8 | 79.8 Ų | 79.8 | 6% | 0.056 | 40% | 0.396 | C | S | . | . | trans | -68.9 | 156.7 | 175.8 | 77.8 | 0 | 0 | 0 | 0 | 110.7 | K619 D620 L621 D662 D663 | S617-K619 PolarHBondContact O-N 3.3Å; S617-K619 PolarHBondContact OG-N 2.92Å; S617-D620 WeakPolarHBondContact CB-OD2 3.42Å; S617-D620 PolarHBondContact O-N 3.35Å; S617-D620 WeakPolarHBondContact OG-CB 3.39Å; S617-D620 PolarHBondContact OG-N 2.94Å; S617-D620 PolarHBondContact OG-OD2 2.89Å; S617-L621 PolarHBondContact O-N 3.09Å; S617-D662 WeakPolarHBondContact CA-O 3.35Å; S617-D663 PolarHBondContact N-O 3.13Å | ||
| 618 | C | 79.4 | Confident | 68.1 | Low | 17 Ų | 17 | 78.5 Ų | 78.5 | 12% | 0.115 | 39% | 0.392 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -20.7 | 173.5 | -170 | 0 | 0 | 0 | 0 | 112.3 | W646 Y657 P660 D662 | C618-W646 PolarHBondContact SG-NE1 3.47Å; C618-Y657 HydrophobicContact CB-CD1 4.3Å; C618-Y657 HydrophobicContact CB-CD2 4.33Å; C618-Y657 HydrophobicContact CB-CE1 4.07Å; C618-Y657 HydrophobicContact CB-CE2 4.12Å; C618-Y657 HydrophobicContact CB-CG 4.44Å; C618-P660 VanDerWaalsContact CB-O 3.28Å; C618-P660 WeakPolarHBondContact CB-O 3.49Å; C618-D662 PolarHBondContact N-O 2.94Å |
| 619 | K | 81 | Confident | 71.1 | Confident | 135 Ų | 135 | 80.1 Ų | 80.1 | 59% | 0.587 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | -47.1 | 175.1 | -66.5 | 169.9 | -177.4 | 164.3 | 0 | 111.3 | S617 L621 G622 E661 | S617-K619 PolarHBondContact O-N 3.3Å; S617-K619 PolarHBondContact OG-N 2.92Å; K619-L621 VanDerWaalsContact C-N 3.31Å; K619-L621 PolarHBondContact O-N 3.48Å; K619-G622 WeakPolarHBondContact O-CA 3.42Å; K619-G622 PolarHBondContact O-N 3.32Å; K619-E661 WeakPolarHBondContact CE-OE2 3.43Å; K619-E661 IonicContact NZ-OE2 3.42Å; K619-E661 PolarHBondContact NZ-OE2 2.97Å |
| 620 | D | 78.9 | Confident | 73.9 | Confident | 133 Ų | 133 | 77.3 Ų | 77.3 | 71% | 0.711 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -32.7 | 176.8 | -63.9 | -55.9 | 0 | 0 | 0 | 112.8 | I616 S617 G622 | I616-D620 HydrophobicContact CG2-CB 4.21Å; S617-D620 WeakPolarHBondContact CB-OD2 3.42Å; S617-D620 PolarHBondContact O-N 3.35Å; S617-D620 WeakPolarHBondContact OG-CB 3.39Å; S617-D620 PolarHBondContact OG-N 2.94Å; S617-D620 PolarHBondContact OG-OD2 2.89Å; D620-G622 PolarHBondContact O-N 3.13Å |
| 621 | L | 74.3 | Confident | 76.3 | Confident | 19 Ų | 19 | 71.1 Ų | 71.1 | 10% | 0.099 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -26 | 173.1 | -168.4 | 62.6 | 0 | 0 | 0 | 111.6 | I616 S617 K619 V648 K650 Y655 Y657 | I616-L621 HydrophobicContact CG2-CB 4.02Å; I616-L621 HydrophobicContact CG2-CD1 4.4Å; S617-L621 PolarHBondContact O-N 3.09Å; K619-L621 VanDerWaalsContact C-N 3.31Å; K619-L621 PolarHBondContact O-N 3.48Å; L621-V648 HydrophobicContact CD2-CB 3.84Å; L621-V648 HydrophobicContact CD2-CG1 3.62Å; L621-V648 HydrophobicContact CD2-CG2 4.49Å; L621-V648 HydrophobicContact CG-CG1 4.39Å; L621-K650 HydrophobicContact CD1-CB 4.43Å; L621-K650 HydrophobicContact CD1-CD 4.15Å; L621-K650 HydrophobicContact CG-CD 4.21Å; L621-K650 VanDerWaalsContact O-CD 3.28Å; L621-K650 WeakPolarHBondContact O-CD 3.31Å; L621-K650 WeakPolarHBondContact O-CE 3.47Å; L621-K650 PolarHBondContact O-NZ 3.09Å; L621-Y655 HydrophobicContact CD1-CD2 4.25Å; L621-Y655 HydrophobicContact CD1-CE2 3.82Å; L621-Y655 HydrophobicContact CD2-CD2 3.62Å; L621-Y655 HydrophobicContact CD2-CE2 4.06Å; L621-Y655 HydrophobicContact CD2-CG 3.95Å; L621-Y657 HydrophobicContact CD2-CE2 4.35Å |
| 622 | G | 76.7 | Confident | 78.6 | Confident | 30 Ų | 30 | 64.7 Ų | 64.7 | 31% | 0.309 | 31% | 0.309 | S | S | . | . | trans | 63.2 | -168.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | K619 D620 G624 | K619-G622 WeakPolarHBondContact O-CA 3.42Å; K619-G622 PolarHBondContact O-N 3.32Å; D620-G622 PolarHBondContact O-N 3.13Å; G622-G624 PolarHBondContact O-N 3.41Å | ||
| 623 | K | 75.6 | Confident | 80.6 | Confident | 181 Ų | 181 | 67 Ų | 67 | 79% | 0.787 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -57.6 | 127.8 | 177.1 | -163.9 | 173.7 | -175.8 | 177.5 | 0 | 110.4 | K650 | K623-K650 PolarHBondContact O-NZ 3.38Š|
| 624 | G | 77.1 | Confident | 82 | Confident | 16 Ų | 16 | 67.6 Ų | 67.6 | 17% | 0.165 | 31% | 0.314 | C | S | . | . | trans | -93.9 | 162.3 | -180 | 0 | 0 | 0 | 0 | 0 | 113.6 | G622 C626 Y649 | G622-G624 PolarHBondContact O-N 3.41Å; G624-C626 PolarHBondContact O-N 3.1Å; G624-Y649 CarbonylContact C-O 3.57Å; G624-Y649 WeakPolarHBondContact CA-O 3.2Å | ||
| 625 | D | 80.7 | Confident | 82 | Confident | 57 Ų | 57 | 65.5 Ų | 65.5 | 31% | 0.305 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -61.5 | -29.1 | 172.2 | -68.3 | -63 | 0 | 0 | 0 | 112.2 | Y649 K650 N651 K714 | D625-Y649 HydrophobicContact CB-CD1 3.46Å; D625-Y649 VanDerWaalsContact CB-CD1 3.46Å; D625-Y649 HydrophobicContact CB-CE1 3.48Å; D625-Y649 VanDerWaalsContact CB-CE1 3.48Å; D625-Y649 HydrophobicContact CB-CG 4.43Å; D625-Y649 PolarHBondContact N-O 3.1Å; D625-K650 WeakPolarHBondContact OD2-CA 3.4Å; D625-N651 PolarHBondContact OD2-N 3.35Å; D625-K714 WeakPolarHBondContact O-CD 3.43Å; D625-K714 WeakPolarHBondContact O-CE 3.41Å; D625-K714 PolarHBondContact O-NZ 3.01Å |
| 626 | C | 88.9 | Confident | 81.3 | Confident | 8 Ų | 8 | 59.7 Ų | 59.7 | 5% | 0.054 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 138.5 | 162.8 | -167.7 | 0 | 0 | 0 | 0 | 109.1 | G624 Y649 W711 K714 | G624-C626 PolarHBondContact O-N 3.1Å; C626-Y649 HydrophobicContact CB-CD1 4.33Å; C626-Y649 PolarHBondContact N-O 3.39Å; C626-Y649 PolarHBondContact O-N 3.11Å; C626-W711 HydrophobicContact CB-CE3 4.09Å; C626-W711 HydrophobicContact CB-CH2 4.09Å; C626-W711 HydrophobicContact CB-CZ3 3.76Å; C626-K714 HydrophobicContact CB-CD 3.81Å |
| 627 | Q | 92.2 | Very high | 80.1 | Confident | 78 Ų | 78 | 63.8 Ų | 63.8 | 36% | 0.364 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 150.1 | 175.6 | 61.9 | -170.3 | 67.5 | 0 | 0 | 110.8 | W646 C647 V648 | Q627-W646 HydrophobicContact CB-CZ2 3.98Å; Q627-W646 HydrophobicContact CG-CZ2 4.13Å; Q627-C647 VanDerWaalsContact CA-O 3.29Å; Q627-C647 WeakPolarHBondContact CA-O 3.33Å; Q627-V648 HydrophobicContact CB-CG1 4.38Å; Q627-V648 HydrophobicContact CB-CG2 4.17Å |
| 628 | G | 93.4 | Very high | 78.8 | Confident | 13 Ų | 13 | 71.1 Ų | 71.1 | 13% | 0.134 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 162.8 | 171.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | W646 C647 | G628-W646 VanDerWaalsContact CA-CZ3 3.47Å; G628-C647 PolarHBondContact N-O 2.91Å; G628-C647 PolarHBondContact O-N 3.25Å |
| 629 | W | 94.4 | Very high | 77.6 | Confident | 93 Ų | 93 | 74.6 Ų | 74.6 | 35% | 0.352 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 133.4 | 174.5 | -72.1 | 103.3 | 0 | 0 | 0 | 111.8 | K644 R645 W646 R658 | W629-K644 HydrophobicContact CB-CD 4.48Å; W629-K644 HydrophobicContact CB-CG 4.4Å; W629-K644 HydrophobicContact CD2-CD 4.38Å; W629-K644 HydrophobicContact CD2-CG 4.4Å; W629-K644 HydrophobicContact CE3-CB 4.37Å; W629-K644 HydrophobicContact CE3-CD 4.19Å; W629-K644 HydrophobicContact CE3-CG 3.8Å; W629-K644 HydrophobicContact CZ3-CG 4.49Å; W629-R645 WeakPolarHBondContact CA-O 3.45Å; W629-W646 AromaticContact CD1-CE3 3.79Å; W629-W646 AromaticContact CD1-CZ3 3.79Å; W629-W646 AromaticContact CD2-CE3 3.92Å; W629-W646 HydrophobicContact CD2-CE3 3.92Å; W629-W646 AromaticContact CE2-CE3 3.83Å; W629-W646 HydrophobicContact CE3-CB 4.22Å; W629-W646 AromaticContact CG-CE3 3.92Å; W629-W646 HydrophobicContact CG-CE3 3.92Å; W629-W646 HydrophobicContact CG-CZ3 4.28Å; W629-W646 HydrophobicContact CH2-CB 4.26Å; W629-W646 HydrophobicContact CZ2-CE3 4.47Å; W629-W646 HydrophobicContact CZ3-CB 4.06Å; W629-W646 AromaticContact NE1-CE3 3.72Å; W629-W646 AromaticContact NE1-CZ3 3.89Å; W629-R658 WeakPolarHBondContact CZ3-O 3.48Å |
| 630 | L | 94.4 | Very high | 76.9 | Confident | 0 Ų | 0 | 71.8 Ų | 71.8 | 0% | 0 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 157 | 170.2 | -71.4 | 174.7 | 0 | 0 | 0 | 111.1 | K644 R645 C647 F654 F689 F700 A701 W711 | L630-K644 CarbonylContact O-C 3.19Å; L630-K644 WeakPolarHBondContact O-CA 3.47Å; L630-R645 PolarHBondContact N-O 2.9Å; L630-R645 PolarHBondContact O-N 3.46Å; L630-C647 HydrophobicContact CD1-CB 4.02Å; L630-C647 HydrophobicContact CG-CB 4.42Å; L630-F654 HydrophobicContact CD1-CE2 4.31Å; L630-F654 HydrophobicContact CD1-CZ 4.09Å; L630-F689 HydrophobicContact CD1-CE1 4.3Å; L630-F689 HydrophobicContact CD1-CZ 3.9Å; L630-F689 HydrophobicContact CD2-CE1 4.16Å; L630-F700 HydrophobicContact CB-CD1 4.24Å; L630-F700 HydrophobicContact CD1-CD1 4.38Å; L630-A701 WeakPolarHBondContact CD2-O 3.47Å; L630-W711 HydrophobicContact CD1-CD2 3.93Å; L630-W711 HydrophobicContact CD1-CE3 4.43Å; L630-W711 HydrophobicContact CD1-CG 4.21Å; L630-W711 HydrophobicContact CD1-CZ2 4.16Å; L630-W711 HydrophobicContact CD2-CG 4.47Å; L630-W711 HydrophobicContact CG-CZ2 4.41Å |
| 631 | W | 93 | Very high | 77 | Confident | 51 Ų | 51 | 72.8 Ų | 72.8 | 19% | 0.193 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 105.5 | 175.3 | -62.6 | 94.1 | 0 | 0 | 0 | 110.4 | Y642 K644 K686 F700 A701 D703 | W631-Y642 HydrophobicContact CB-CD1 3.85Å; W631-Y642 HydrophobicContact CB-CG 4.4Å; W631-Y642 WeakPolarHBondContact O-CD1 3.42Å; W631-K644 HydrophobicContact CD2-CB 4.33Å; W631-K644 HydrophobicContact CD2-CG 4.1Å; W631-K644 HydrophobicContact CE3-CB 3.98Å; W631-K644 HydrophobicContact CE3-CG 4.26Å; W631-K644 HydrophobicContact CH2-CB 4.26Å; W631-K644 HydrophobicContact CH2-CD 4.14Å; W631-K644 HydrophobicContact CH2-CG 4.31Å; W631-K644 HydrophobicContact CZ2-CD 3.89Å; W631-K644 HydrophobicContact CZ2-CG 4.16Å; W631-K644 HydrophobicContact CZ3-CB 3.95Å; W631-K644 HydrophobicContact CZ3-CG 4.36Å; W631-K686 HydrophobicContact CD2-CD 4.35Å; W631-K686 VanDerWaalsContact CD2-NZ 3.26Å; W631-K686 HydrophobicContact CG-CD 4.07Å; W631-F700 CarbonylContact O-C 3.51Å; W631-F700 VanDerWaalsContact O-CA 3.27Å; W631-F700 WeakPolarHBondContact O-CA 3.42Å; W631-A701 HydrophobicContact CB-CB 4.29Å; W631-A701 PolarHBondContact N-O 2.75Å; W631-A701 PolarHBondContact O-N 2.91Å; W631-D703 PolarHBondContact NE1-OD1 3.38Å; W631-D703 PolarHBondContact NE1-OD2 3.32Å |
| 632 | L | 91.7 | Very high | 77.7 | Confident | 9 Ų | 9 | 74 Ų | 74 | 5% | 0.047 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 123.4 | 173.3 | 173.3 | 57.1 | 0 | 0 | 0 | 109.9 | K634 Y642 V643 R645 Y656 F700 | L632-K634 PolarHBondContact O-N 2.98Å; L632-Y642 WeakPolarHBondContact O-CA 3.32Å; L632-V643 PolarHBondContact N-O 2.99Å; L632-V643 PolarHBondContact O-N 3.22Å; L632-R645 HydrophobicContact CB-CG 4.08Å; L632-R645 HydrophobicContact CD2-CG 4.4Å; L632-Y656 HydrophobicContact CD2-CD2 4.08Å; L632-Y656 HydrophobicContact CD2-CE2 3.85Å; L632-F700 HydrophobicContact CB-CD1 4.18Å; L632-F700 HydrophobicContact CB-CE1 3.96Å; L632-F700 HydrophobicContact CD1-CD1 4.26Å; L632-F700 HydrophobicContact CD1-CE1 3.78Å; L632-F700 HydrophobicContact CD1-CE2 4.38Å; L632-F700 HydrophobicContact CD1-CZ 3.83Å; L632-F700 HydrophobicContact CG-CE1 4.29Å |
| 633 | K | 88.2 | Confident | 78.3 | Confident | 78 Ų | 78 | 74.6 Ų | 74.6 | 34% | 0.339 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 109.2 | 170.5 | -169.7 | -175.9 | 178 | -173.2 | 0 | 109.5 | S640 Y642 V699 | K633-S640 WeakPolarHBondContact CE-OG 3.4Å; K633-Y642 HydrophobicContact CB-CD1 3.85Å; K633-Y642 HydrophobicContact CB-CE1 3.64Å; K633-Y642 HydrophobicContact CG-CE1 4.33Å; K633-V699 HydrophobicContact CB-CB 4.02Å; K633-V699 HydrophobicContact CB-CG1 4.42Å; K633-V699 WeakPolarHBondContact CB-O 3.32Å; K633-V699 HydrophobicContact CD-CB 4.33Å; K633-V699 HydrophobicContact CD-CG1 4.49Å; K633-V699 PolarHBondContact N-O 3.17Å |
| 634 | K | 80.6 | Confident | 79.1 | Confident | 74 Ų | 74 | 69.8 Ų | 69.8 | 32% | 0.322 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 130.3 | 168.1 | -67.2 | -163 | 176.1 | -169.1 | 0 | 109.9 | L632 S640 K641 V643 E666 | L632-K634 PolarHBondContact O-N 2.98Å; K634-S640 WeakPolarHBondContact O-CA 3.41Å; K634-K641 PolarHBondContact N-O 2.63Å; K634-K641 PolarHBondContact O-N 3.21Å; K634-V643 HydrophobicContact CD-CG2 4.2Å; K634-V643 HydrophobicContact CG-CG2 4.17Å; K634-E666 VanDerWaalsContact CE-OE1 3.28Å; K634-E666 WeakPolarHBondContact CE-OE1 3.22Å; K634-E666 IonicContact NZ-OE1 3.34Å; K634-E666 PolarHBondContact NZ-OE1 2.99Å; K634-E666 IonicContact NZ-OE2 2.7Å |
| 635 | T | 61.5 | Low | 79.9 | Confident | 101 Ų | 101 | 70.3 Ų | 70.3 | 62% | 0.62 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 94.7 | 175.7 | 49.3 | 0 | 0 | 0 | 0 | 109.3 | ||
| 636 | N | 55 | Low | 80.6 | Confident | 106 Ų | 106 | 69.4 Ų | 69.4 | 57% | 0.567 | 36% | 0.357 | S | S | * | . | trans | -83.7 | 154.6 | 162.1 | -79.6 | 7.4 | 0 | 0 | 0 | 108.7 | L638 T639 | N636-L638 PolarHBondContact O-N 3.32Å; N636-L638 VanDerWaalsContact O-N 3.07Å; N636-T639 PolarHBondContact N-O 3.27Å; N636-T639 PolarHBondContact O-N 3.05Å; N636-T639 VanDerWaalsContact O-N 3.13Å; N636-T639 VanDerWaalsContact O-O 3.06Å | ||
| 637 | P | 45.7 | Very low | 80.8 | Confident | 133 Ų | 133 | 69 Ų | 69 | 86% | 0.864 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -57.2 | -25.9 | -179 | 17.9 | -30 | 0 | 0 | 0 | 114.4 | ||
| 638 | L | 51.2 | Low | 80.9 | Confident | 162 Ų | 162 | 65.3 Ų | 65.3 | 85% | 0.848 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -98.6 | -21.4 | 176.6 | -69.1 | 85.1 | 0 | 0 | 0 | 114.4 | N636 | N636-L638 PolarHBondContact O-N 3.32Å; N636-L638 VanDerWaalsContact O-N 3.07Å |
| 639 | T | 55.4 | Low | 80.7 | Confident | 89 Ų | 89 | 64.8 Ų | 64.8 | 55% | 0.546 | 33% | 0.331 | S | S | . | . | trans | -150.2 | 141.3 | -175.2 | 58.5 | 0 | 0 | 0 | 0 | 114 | N636 | N636-T639 PolarHBondContact N-O 3.27Å; N636-T639 PolarHBondContact O-N 3.05Å; N636-T639 VanDerWaalsContact O-N 3.13Å; N636-T639 VanDerWaalsContact O-O 3.06Å | ||
| 640 | S | 66 | Low | 80.2 | Confident | 77 Ų | 77 | 62.9 Ų | 62.9 | 54% | 0.538 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 109.7 | 166.4 | -79.4 | 0 | 0 | 0 | 0 | 110.5 | K633 K634 | K633-S640 WeakPolarHBondContact CE-OG 3.4Å; K634-S640 WeakPolarHBondContact O-CA 3.41Å |
| 641 | K | 81.9 | Confident | 79.2 | Confident | 153 Ų | 153 | 68.8 Ų | 68.8 | 67% | 0.665 | 36% | 0.356 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 136.1 | 178.6 | -169.6 | 170.1 | -178.4 | 175.4 | 0 | 111.2 | K634 | K634-K641 PolarHBondContact N-O 2.63Å; K634-K641 PolarHBondContact O-N 3.21Å |
| 642 | Y | 87.3 | Confident | 78.3 | Confident | 44 Ų | 44 | 67.2 Ų | 67.2 | 17% | 0.173 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 132.6 | 169 | -79.7 | -76.9 | 0 | 0 | 0 | 110.2 | W631 L632 K633 S681 A701 | W631-Y642 HydrophobicContact CB-CD1 3.85Å; W631-Y642 HydrophobicContact CB-CG 4.4Å; W631-Y642 WeakPolarHBondContact O-CD1 3.42Å; L632-Y642 WeakPolarHBondContact O-CA 3.32Å; K633-Y642 HydrophobicContact CB-CD1 3.85Å; K633-Y642 HydrophobicContact CB-CE1 3.64Å; K633-Y642 HydrophobicContact CG-CE1 4.33Å; Y642-S681 PolarHBondContact OH-OG 3.39Å; Y642-A701 HydrophobicContact CE1-CB 4.01Å |
| 643 | V | 90.2 | Very high | 77.7 | Confident | 44 Ų | 44 | 67.2 Ų | 67.2 | 27% | 0.267 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 130.8 | 179.2 | -164.6 | 0 | 0 | 0 | 0 | 108.8 | L632 K634 | L632-V643 PolarHBondContact N-O 2.99Å; L632-V643 PolarHBondContact O-N 3.22Å; K634-V643 HydrophobicContact CD-CG2 4.2Å; K634-V643 HydrophobicContact CG-CG2 4.17Å |
| 644 | K | 92.8 | Very high | 77.7 | Confident | 80 Ų | 80 | 63.5 Ų | 63.5 | 35% | 0.348 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 138.2 | 178.9 | -142.1 | 175.5 | -179.5 | 169.7 | 0 | 109.8 | W629 L630 W631 | W629-K644 HydrophobicContact CB-CD 4.48Å; W629-K644 HydrophobicContact CB-CG 4.4Å; W629-K644 HydrophobicContact CD2-CD 4.38Å; W629-K644 HydrophobicContact CD2-CG 4.4Å; W629-K644 HydrophobicContact CE3-CB 4.37Å; W629-K644 HydrophobicContact CE3-CD 4.19Å; W629-K644 HydrophobicContact CE3-CG 3.8Å; W629-K644 HydrophobicContact CZ3-CG 4.49Å; L630-K644 CarbonylContact O-C 3.19Å; L630-K644 WeakPolarHBondContact O-CA 3.47Å; W631-K644 HydrophobicContact CD2-CB 4.33Å; W631-K644 HydrophobicContact CD2-CG 4.1Å; W631-K644 HydrophobicContact CE3-CB 3.98Å; W631-K644 HydrophobicContact CE3-CG 4.26Å; W631-K644 HydrophobicContact CH2-CB 4.26Å; W631-K644 HydrophobicContact CH2-CD 4.14Å; W631-K644 HydrophobicContact CH2-CG 4.31Å; W631-K644 HydrophobicContact CZ2-CD 3.89Å; W631-K644 HydrophobicContact CZ2-CG 4.16Å; W631-K644 HydrophobicContact CZ3-CB 3.95Å; W631-K644 HydrophobicContact CZ3-CG 4.36Å |
| 645 | R | 94.2 | Very high | 78.2 | Confident | 26 Ų | 26 | 60.7 Ų | 60.7 | 10% | 0.098 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 141 | -178.2 | -71.6 | -69 | 171.9 | -105.6 | 22.3 | 109.3 | W629 L630 L632 Y657 E666 | W629-R645 WeakPolarHBondContact CA-O 3.45Å; L630-R645 PolarHBondContact N-O 2.9Å; L630-R645 PolarHBondContact O-N 3.46Å; L632-R645 HydrophobicContact CB-CG 4.08Å; L632-R645 HydrophobicContact CD2-CG 4.4Å; R645-Y657 WeakPolarHBondContact CA-O 3.26Å; R645-Y657 WeakPolarHBondContact CB-O 3.27Å; R645-Y657 WeakPolarHBondContact CD-O 3.31Å; R645-E666 IonicContact CZ-OE1 3.7Å; R645-E666 IonicContact CZ-OE2 2.77Å; R645-E666 IonicContact NE-OE1 2.64Å; R645-E666 PolarHBondContact NE-OE1 2.87Å; R645-E666 IonicContact NE-OE2 3.09Å; R645-E666 VanDerWaalsContact NH2-CD 3.34Å; R645-E666 IonicContact NH2-OE1 3.98Å; R645-E666 PolarHBondContact NH2-OE1 3.33Å; R645-E666 VanDerWaalsContact NH2-OE1 3.14Å; R645-E666 IonicContact NH2-OE2 2.69Å; R645-E666 PolarHBondContact NH2-OE2 3.06Å |
| 646 | W | 94.4 | Very high | 79.6 | Confident | 39 Ų | 39 | 57 Ų | 57 | 15% | 0.148 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 118.1 | 171.8 | -179.8 | -107.5 | 0 | 0 | 0 | 108.3 | C618 Q627 G628 W629 Y656 Y657 P660 | C618-W646 PolarHBondContact SG-NE1 3.47Å; Q627-W646 HydrophobicContact CB-CZ2 3.98Å; Q627-W646 HydrophobicContact CG-CZ2 4.13Å; G628-W646 VanDerWaalsContact CA-CZ3 3.47Å; W629-W646 AromaticContact CD1-CE3 3.79Å; W629-W646 AromaticContact CD1-CZ3 3.79Å; W629-W646 AromaticContact CD2-CE3 3.92Å; W629-W646 HydrophobicContact CD2-CE3 3.92Å; W629-W646 AromaticContact CE2-CE3 3.83Å; W629-W646 HydrophobicContact CE3-CB 4.22Å; W629-W646 AromaticContact CG-CE3 3.92Å; W629-W646 HydrophobicContact CG-CE3 3.92Å; W629-W646 HydrophobicContact CG-CZ3 4.28Å; W629-W646 HydrophobicContact CH2-CB 4.26Å; W629-W646 HydrophobicContact CZ2-CE3 4.47Å; W629-W646 HydrophobicContact CZ3-CB 4.06Å; W629-W646 AromaticContact NE1-CE3 3.72Å; W629-W646 AromaticContact NE1-CZ3 3.89Å; W646-Y656 WeakPolarHBondContact O-CA 3.29Å; W646-Y657 PolarHBondContact N-O 3.36Å; W646-Y657 PolarHBondContact O-N 2.89Å; W646-P660 HydrophobicContact CD2-CB 4.07Å; W646-P660 HydrophobicContact CG-CB 3.93Å |
| 647 | C | 94.3 | Very high | 81.4 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 138.7 | -174.2 | -68.3 | 0 | 0 | 0 | 0 | 110.5 | Q627 G628 L630 F654 Y655 W711 | Q627-C647 VanDerWaalsContact CA-O 3.29Å; Q627-C647 WeakPolarHBondContact CA-O 3.33Å; G628-C647 PolarHBondContact N-O 2.91Å; G628-C647 PolarHBondContact O-N 3.25Å; L630-C647 HydrophobicContact CD1-CB 4.02Å; L630-C647 HydrophobicContact CG-CB 4.42Å; C647-F654 HydrophobicContact CB-CE2 3.8Å; C647-F654 HydrophobicContact CB-CZ 3.67Å; C647-Y655 WeakPolarHBondContact CA-O 3.36Å; C647-W711 HydrophobicContact CB-CH2 4Å; C647-W711 HydrophobicContact CB-CZ2 4.29Å; C647-W711 WeakPolarHBondContact O-CH2 3.34Å |
| 648 | V | 92.5 | Very high | 83.6 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 119.2 | 178.1 | -172.9 | 0 | 0 | 0 | 0 | 109.3 | L621 Q627 Y655 Y657 | L621-V648 HydrophobicContact CD2-CB 3.84Å; L621-V648 HydrophobicContact CD2-CG1 3.62Å; L621-V648 HydrophobicContact CD2-CG2 4.49Å; L621-V648 HydrophobicContact CG-CG1 4.39Å; Q627-V648 HydrophobicContact CB-CG1 4.38Å; Q627-V648 HydrophobicContact CB-CG2 4.17Å; V648-Y655 PolarHBondContact N-O 3.47Å; V648-Y655 PolarHBondContact O-N 3.1Å; V648-Y657 HydrophobicContact CG2-CD2 4.49Å; V648-Y657 HydrophobicContact CG2-CE2 4.21Å |
| 649 | Y | 90.2 | Very high | 85.4 | Confident | 2 Ų | 2 | 49.1 Ų | 49.1 | 1% | 0.008 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 125.3 | 167.6 | 169.6 | -117.9 | 0 | 0 | 0 | 109.1 | G624 D625 C626 T653 L671 K714 L715 A718 | G624-Y649 CarbonylContact C-O 3.57Å; G624-Y649 WeakPolarHBondContact CA-O 3.2Å; D625-Y649 HydrophobicContact CB-CD1 3.46Å; D625-Y649 VanDerWaalsContact CB-CD1 3.46Å; D625-Y649 HydrophobicContact CB-CE1 3.48Å; D625-Y649 VanDerWaalsContact CB-CE1 3.48Å; D625-Y649 HydrophobicContact CB-CG 4.43Å; D625-Y649 PolarHBondContact N-O 3.1Å; C626-Y649 HydrophobicContact CB-CD1 4.33Å; C626-Y649 PolarHBondContact N-O 3.39Å; C626-Y649 PolarHBondContact O-N 3.11Å; Y649-T653 WeakPolarHBondContact CA-O 3.41Å; Y649-T653 WeakPolarHBondContact CD2-O 3.32Å; Y649-L671 HydrophobicContact CD2-CD1 3.63Å; Y649-L671 HydrophobicContact CE2-CD1 3.6Å; Y649-K714 HydrophobicContact CD1-CB 4.31Å; Y649-K714 HydrophobicContact CE1-CB 4.45Å; Y649-L715 HydrophobicContact CD2-CD2 3.9Å; Y649-L715 HydrophobicContact CG-CD2 3.91Å; Y649-A718 HydrophobicContact CE2-CB 3.59Å; Y649-A718 VanDerWaalsContact OH-CB 3.26Å; Y649-A718 WeakPolarHBondContact OH-CB 3.4Å |
| 650 | K | 82.9 | Confident | 86.9 | Confident | 52 Ų | 52 | 46.9 Ų | 46.9 | 23% | 0.226 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 138.8 | 175.1 | -169.3 | 166.3 | -172.8 | 160.1 | 0 | 110.9 | L621 K623 D625 S652 T653 | L621-K650 HydrophobicContact CD1-CB 4.43Å; L621-K650 HydrophobicContact CD1-CD 4.15Å; L621-K650 HydrophobicContact CG-CD 4.21Å; L621-K650 VanDerWaalsContact O-CD 3.28Å; L621-K650 WeakPolarHBondContact O-CD 3.31Å; L621-K650 WeakPolarHBondContact O-CE 3.47Å; L621-K650 PolarHBondContact O-NZ 3.09Å; K623-K650 PolarHBondContact O-NZ 3.38Å; D625-K650 WeakPolarHBondContact OD2-CA 3.4Å; K650-S652 PolarHBondContact O-N 2.91Å; K650-T653 PolarHBondContact N-O 3.33Å; K650-T653 PolarHBondContact O-N 3.25Å |
| 651 | N | 74.3 | Confident | 87.9 | Confident | 124 Ų | 124 | 48.8 Ų | 48.8 | 66% | 0.663 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.7 | 56 | 173.8 | -61.2 | 6 | 0 | 0 | 0 | 113 | D625 T653 | D625-N651 PolarHBondContact OD2-N 3.35Å; N651-T653 PolarHBondContact O-N 3.08Å; N651-T653 PolarHBondContact O-OG1 2.94Å |
| 652 | S | 73.6 | Confident | 88 | Confident | 19 Ų | 19 | 43.1 Ų | 43.1 | 13% | 0.133 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.8 | 10.8 | -178.1 | -58.8 | 0 | 0 | 0 | 0 | 116.1 | K650 L671 | K650-S652 PolarHBondContact O-N 2.91Å; S652-L671 PolarHBondContact O-N 3.31Å; S652-L671 VanDerWaalsContact O-N 3.13Å |
| 653 | T | 78.6 | Confident | 87.8 | Confident | 8 Ų | 8 | 47.4 Ų | 47.4 | 5% | 0.049 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 138.8 | -178.9 | -51.6 | 0 | 0 | 0 | 0 | 110.4 | P612 Y649 K650 N651 Y655 L668 | P612-T653 HydrophobicContact CB-CG2 3.96Å; P612-T653 HydrophobicContact CG-CG2 4.35Å; Y649-T653 WeakPolarHBondContact CA-O 3.41Å; Y649-T653 WeakPolarHBondContact CD2-O 3.32Å; K650-T653 PolarHBondContact N-O 3.33Å; K650-T653 PolarHBondContact O-N 3.25Å; N651-T653 PolarHBondContact O-N 3.08Å; N651-T653 PolarHBondContact O-OG1 2.94Å; T653-Y655 HydrophobicContact CG2-CD2 4.13Å; T653-Y655 HydrophobicContact CG2-CE1 4.17Å; T653-Y655 HydrophobicContact CG2-CE2 3.54Å; T653-L668 HydrophobicContact CG2-CB 4.45Å; T653-L668 HydrophobicContact CG2-CD1 4.34Å |
| 654 | F | 89.1 | Confident | 87.4 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 113.8 | 179.3 | 175.4 | -93.3 | 0 | 0 | 0 | 110.2 | L630 C647 Y656 L668 I669 L671 I691 F700 W711 L715 | L630-F654 HydrophobicContact CD1-CE2 4.31Å; L630-F654 HydrophobicContact CD1-CZ 4.09Å; C647-F654 HydrophobicContact CB-CE2 3.8Å; C647-F654 HydrophobicContact CB-CZ 3.67Å; F654-Y656 HydrophobicContact CD1-CD1 4.45Å; F654-Y656 HydrophobicContact CE1-CD1 4.21Å; F654-L668 CarbonylContact O-C 3.53Å; F654-L668 VanDerWaalsContact O-CA 3.24Å; F654-L668 WeakPolarHBondContact O-CA 3.24Å; F654-I669 HydrophobicContact CB-CB 4.45Å; F654-I669 HydrophobicContact CD1-CB 4.49Å; F654-I669 HydrophobicContact CD1-CD1 3.96Å; F654-I669 HydrophobicContact CD1-CG1 4.32Å; F654-I669 HydrophobicContact CE1-CD1 4.4Å; F654-I669 PolarHBondContact N-O 3.23Å; F654-I669 PolarHBondContact O-N 2.65Å; F654-L671 HydrophobicContact CB-CD1 4.13Å; F654-L671 HydrophobicContact CB-CD2 3.87Å; F654-L671 HydrophobicContact CB-CG 4.08Å; F654-I691 HydrophobicContact CE1-CD1 4.45Å; F654-F700 HydrophobicContact CD1-CZ 4.49Å; F654-F700 AromaticContact CE1-CE1 3.83Å; F654-F700 HydrophobicContact CE1-CE1 3.83Å; F654-F700 AromaticContact CE1-CE2 3.92Å; F654-F700 HydrophobicContact CE1-CE2 3.92Å; F654-F700 AromaticContact CE1-CZ 3.47Å; F654-F700 HydrophobicContact CE1-CZ 3.47Å; F654-F700 VanDerWaalsContact CE1-CZ 3.47Å; F654-F700 HydrophobicContact CZ-CD1 4.4Å; F654-F700 HydrophobicContact CZ-CE1 4.03Å; F654-F700 HydrophobicContact CZ-CE2 4.43Å; F654-F700 HydrophobicContact CZ-CZ 4.07Å; F654-W711 HydrophobicContact CD2-CZ3 4.08Å; F654-W711 HydrophobicContact CE2-CE3 4.06Å; F654-W711 HydrophobicContact CE2-CH2 4.25Å; F654-W711 AromaticContact CE2-CZ3 3.66Å; F654-W711 HydrophobicContact CE2-CZ3 3.66Å; F654-L715 HydrophobicContact CB-CD2 4.23Å; F654-L715 HydrophobicContact CD2-CD1 4.31Å; F654-L715 HydrophobicContact CD2-CD2 3.54Å; F654-L715 HydrophobicContact CE2-CD1 4.24Å; F654-L715 HydrophobicContact CE2-CD2 4.22Å; F654-L715 HydrophobicContact CG-CD2 4.18Å |
| 655 | Y | 90.9 | Very high | 87 | Confident | 16 Ų | 16 | 44.6 Ų | 44.6 | 6% | 0.063 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 146.9 | 179.9 | -58.5 | -96.7 | 0 | 0 | 0 | 110.2 | P612 L621 C647 V648 T653 A665 L668 | P612-Y655 HydrophobicContact CB-CE1 4.33Å; P612-Y655 WeakPolarHBondContact CB-OH 3.35Å; L621-Y655 HydrophobicContact CD1-CD2 4.25Å; L621-Y655 HydrophobicContact CD1-CE2 3.82Å; L621-Y655 HydrophobicContact CD2-CD2 3.62Å; L621-Y655 HydrophobicContact CD2-CE2 4.06Å; L621-Y655 HydrophobicContact CD2-CG 3.95Å; C647-Y655 WeakPolarHBondContact CA-O 3.36Å; V648-Y655 PolarHBondContact N-O 3.47Å; V648-Y655 PolarHBondContact O-N 3.1Å; T653-Y655 HydrophobicContact CG2-CD2 4.13Å; T653-Y655 HydrophobicContact CG2-CE1 4.17Å; T653-Y655 HydrophobicContact CG2-CE2 3.54Å; Y655-A665 HydrophobicContact CD1-CB 4.27Å; Y655-L668 HydrophobicContact CD1-CB 3.77Å; Y655-L668 HydrophobicContact CD1-CD2 4.33Å; Y655-L668 HydrophobicContact CE1-CB 4.12Å; Y655-L668 HydrophobicContact CE1-CD2 4.11Å; Y655-L668 HydrophobicContact CG-CB 4.37Å |
| 656 | Y | 91.9 | Very high | 86.6 | Confident | 23 Ų | 23 | 45 Ų | 45 | 9% | 0.09 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 128.5 | 170.2 | 58.3 | -91.1 | 0 | 0 | 0 | 111.9 | L632 W646 F654 A665 E666 G667 I669 F700 | L632-Y656 HydrophobicContact CD2-CD2 4.08Å; L632-Y656 HydrophobicContact CD2-CE2 3.85Å; W646-Y656 WeakPolarHBondContact O-CA 3.29Å; F654-Y656 HydrophobicContact CD1-CD1 4.45Å; F654-Y656 HydrophobicContact CE1-CD1 4.21Å; Y656-A665 CarbonylContact O-C 3.51Å; Y656-E666 HydrophobicContact CD2-CB 4.14Å; Y656-E666 HydrophobicContact CE2-CB 4.21Å; Y656-E666 HydrophobicContact CE2-CG 4.25Å; Y656-E666 PolarHBondContact O-N 3.4Å; Y656-G667 WeakPolarHBondContact CD1-O 3.48Å; Y656-G667 VanDerWaalsContact CZ-CA 3.48Å; Y656-G667 PolarHBondContact N-O 3Å; Y656-G667 PolarHBondContact O-N 2.92Å; Y656-G667 VanDerWaalsContact O-N 3.17Å; Y656-I669 HydrophobicContact CE1-CG1 4.34Å; Y656-F700 HydrophobicContact CD1-CZ 4.39Å |
| 657 | Y | 92.6 | Very high | 85.9 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 160.8 | -177.6 | -57.7 | -97 | 0 | 0 | 0 | 109.6 | I616 C618 L621 R645 W646 V648 N659 D662 S664 A665 | I616-Y657 WeakPolarHBondContact O-CE1 3.45Å; I616-Y657 PolarHBondContact O-OH 3.03Å; C618-Y657 HydrophobicContact CB-CD1 4.3Å; C618-Y657 HydrophobicContact CB-CD2 4.33Å; C618-Y657 HydrophobicContact CB-CE1 4.07Å; C618-Y657 HydrophobicContact CB-CE2 4.12Å; C618-Y657 HydrophobicContact CB-CG 4.44Å; L621-Y657 HydrophobicContact CD2-CE2 4.35Å; R645-Y657 WeakPolarHBondContact CA-O 3.26Å; R645-Y657 WeakPolarHBondContact CB-O 3.27Å; R645-Y657 WeakPolarHBondContact CD-O 3.31Å; W646-Y657 PolarHBondContact N-O 3.36Å; W646-Y657 PolarHBondContact O-N 2.89Å; V648-Y657 HydrophobicContact CG2-CD2 4.49Å; V648-Y657 HydrophobicContact CG2-CE2 4.21Å; Y657-N659 VanDerWaalsContact CB-O 3.26Å; Y657-N659 WeakPolarHBondContact CB-O 3.32Å; Y657-D662 HydrophobicContact CD1-CB 3.98Å; Y657-S664 WeakPolarHBondContact CD1-O 3.34Å; Y657-A665 VanDerWaalsContact CD1-CA 3.48Å; Y657-A665 HydrophobicContact CD1-CB 4Å; Y657-A665 HydrophobicContact CE1-CB 3.69Å; Y657-A665 HydrophobicContact CE2-CB 4.34Å; Y657-A665 HydrophobicContact CG-CB 4.46Å |
| 658 | R | 91 | Very high | 85.5 | Confident | 150 Ų | 150 | 44.8 Ų | 44.8 | 57% | 0.566 | 23% | 0.227 | S | C | * | . | S | Bend | trans | -69.8 | -51.7 | 168.7 | -55.5 | -177.6 | 170.5 | 172 | 4.3 | 108.8 | W629 D662 E666 | W629-R658 WeakPolarHBondContact CZ3-O 3.48Å; R658-D662 VanDerWaalsContact CA-OD2 3.28Å; R658-D662 WeakPolarHBondContact CA-OD2 3.48Å; R658-D662 WeakPolarHBondContact CB-OD2 3.37Å; R658-D662 PolarHBondContact N-OD2 3.03Å; R658-E666 HydrophobicContact CG-CB 4.46Å; R658-E666 WeakPolarHBondContact CG-OE2 3.34Å; R658-E666 IonicContact CZ-OE2 3.67Å; R658-E666 IonicContact NE-OE2 3.42Å; R658-E666 PolarHBondContact NE-OE2 3.4Å; R658-E666 IonicContact NH2-OE2 2.91Å |
| 659 | N | 88.7 | Confident | 85 | Confident | 86 Ų | 86 | 45 Ų | 45 | 46% | 0.46 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -127.6 | 157.6 | 178.9 | -58.9 | -40.1 | 0 | 0 | 0 | 110.9 | Y657 E661 D662 | Y657-N659 VanDerWaalsContact CB-O 3.26Å; Y657-N659 WeakPolarHBondContact CB-O 3.32Å; N659-E661 PolarHBondContact O-N 3.33Å; N659-D662 WeakPolarHBondContact CB-OD1 3.41Å; N659-D662 PolarHBondContact N-OD2 3.32Å; N659-D662 PolarHBondContact O-N 3.18Å |
| 660 | P | 88.1 | Confident | 84.4 | Confident | 42 Ų | 42 | 48.1 Ų | 48.1 | 27% | 0.273 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -13 | 173.1 | 28.7 | -36.5 | 0 | 0 | 0 | 114 | C618 W646 | C618-P660 VanDerWaalsContact CB-O 3.28Å; C618-P660 WeakPolarHBondContact CB-O 3.49Å; W646-P660 HydrophobicContact CD2-CB 4.07Å; W646-P660 HydrophobicContact CG-CB 3.93Å |
| 661 | E | 87.3 | Confident | 84.1 | Confident | 117 Ų | 117 | 45.6 Ų | 45.6 | 55% | 0.547 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | -4.1 | 177.9 | -60.1 | -57.9 | 120.5 | 0 | 0 | 113.6 | K619 N659 | K619-E661 WeakPolarHBondContact CE-OE2 3.43Å; K619-E661 IonicContact NZ-OE2 3.42Å; K619-E661 PolarHBondContact NZ-OE2 2.97Å; N659-E661 PolarHBondContact O-N 3.33Å |
| 662 | D | 83.3 | Confident | 83.7 | Confident | 34 Ų | 34 | 42.5 Ų | 42.5 | 18% | 0.182 | 22% | 0.215 | C | C | . | . | trans | -67.7 | 131.8 | -174.2 | -67.1 | -14.9 | 0 | 0 | 0 | 112.7 | S617 C618 Y657 R658 N659 S664 | S617-D662 WeakPolarHBondContact CA-O 3.35Å; C618-D662 PolarHBondContact N-O 2.94Å; Y657-D662 HydrophobicContact CD1-CB 3.98Å; R658-D662 VanDerWaalsContact CA-OD2 3.28Å; R658-D662 WeakPolarHBondContact CA-OD2 3.48Å; R658-D662 WeakPolarHBondContact CB-OD2 3.37Å; R658-D662 PolarHBondContact N-OD2 3.03Å; N659-D662 WeakPolarHBondContact CB-OD1 3.41Å; N659-D662 PolarHBondContact N-OD2 3.32Å; N659-D662 PolarHBondContact O-N 3.18Å; D662-S664 PolarHBondContact O-N 3.32Å; D662-S664 VanDerWaalsContact O-N 3.16Å | ||
| 663 | D | 83 | Confident | 83 | Confident | 133 Ų | 133 | 42.8 Ų | 42.8 | 71% | 0.711 | 22% | 0.221 | S | C | * | . | S | Bend | trans | -67.8 | -8.6 | 173.2 | -61.4 | -47.7 | 0 | 0 | 0 | 114.1 | I616 S617 | I616-D663 CarbonylContact C-O 3.49Å; S617-D663 PolarHBondContact N-O 3.13Å |
| 664 | S | 81.2 | Confident | 82.9 | Confident | 62 Ų | 62 | 43.8 Ų | 43.8 | 43% | 0.434 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -151.7 | 142 | -179.3 | 56.7 | 0 | 0 | 0 | 0 | 113 | R614 Y657 D662 | R614-S664 CarbonylContact O-C 3.48Å; R614-S664 WeakPolarHBondContact O-CA 3.29Å; R614-S664 WeakPolarHBondContact O-CB 3.38Å; Y657-S664 WeakPolarHBondContact CD1-O 3.34Å; D662-S664 PolarHBondContact O-N 3.32Å; D662-S664 VanDerWaalsContact O-N 3.16Å |
| 665 | A | 85.8 | Confident | 82.5 | Confident | 4 Ų | 4 | 47 Ų | 47 | 3% | 0.033 | 25% | 0.245 | C | C | . | . | trans | -73 | 131.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111 | R614 Y655 Y656 Y657 G667 | R614-A665 WeakPolarHBondContact CB-O 3.43Å; R614-A665 PolarHBondContact O-N 2.93Å; Y655-A665 HydrophobicContact CD1-CB 4.27Å; Y656-A665 CarbonylContact O-C 3.51Å; Y657-A665 VanDerWaalsContact CD1-CA 3.48Å; Y657-A665 HydrophobicContact CD1-CB 4Å; Y657-A665 HydrophobicContact CE1-CB 3.69Å; Y657-A665 HydrophobicContact CE2-CB 4.34Å; Y657-A665 HydrophobicContact CG-CB 4.46Å; A665-G667 PolarHBondContact O-N 3.25Å | ||
| 666 | E | 85.7 | Confident | 82.4 | Confident | 35 Ų | 35 | 47.3 Ų | 47.3 | 16% | 0.164 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -58.8 | -33.1 | 172.2 | -176.1 | 170.4 | 103.7 | 0 | 0 | 110.6 | R614 K634 R645 Y656 R658 | R614-E666 PolarHBondContact NH1-O 3.38Å; K634-E666 VanDerWaalsContact CE-OE1 3.28Å; K634-E666 WeakPolarHBondContact CE-OE1 3.22Å; K634-E666 IonicContact NZ-OE1 3.34Å; K634-E666 PolarHBondContact NZ-OE1 2.99Å; K634-E666 IonicContact NZ-OE2 2.7Å; R645-E666 IonicContact CZ-OE1 3.7Å; R645-E666 IonicContact CZ-OE2 2.77Å; R645-E666 IonicContact NE-OE1 2.64Å; R645-E666 PolarHBondContact NE-OE1 2.87Å; R645-E666 IonicContact NE-OE2 3.09Å; R645-E666 VanDerWaalsContact NH2-CD 3.34Å; R645-E666 IonicContact NH2-OE1 3.98Å; R645-E666 PolarHBondContact NH2-OE1 3.33Å; R645-E666 VanDerWaalsContact NH2-OE1 3.14Å; R645-E666 IonicContact NH2-OE2 2.69Å; R645-E666 PolarHBondContact NH2-OE2 3.06Å; Y656-E666 HydrophobicContact CD2-CB 4.14Å; Y656-E666 HydrophobicContact CE2-CB 4.21Å; Y656-E666 HydrophobicContact CE2-CG 4.25Å; Y656-E666 PolarHBondContact O-N 3.4Å; R658-E666 HydrophobicContact CG-CB 4.46Å; R658-E666 WeakPolarHBondContact CG-OE2 3.34Å; R658-E666 IonicContact CZ-OE2 3.67Å; R658-E666 IonicContact NE-OE2 3.42Å; R658-E666 PolarHBondContact NE-OE2 3.4Å; R658-E666 IonicContact NH2-OE2 2.91Å |
| 667 | G | 78.4 | Confident | 82.2 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.7 | 176.6 | 165.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y656 A665 | Y656-G667 WeakPolarHBondContact CD1-O 3.48Å; Y656-G667 VanDerWaalsContact CZ-CA 3.48Å; Y656-G667 PolarHBondContact N-O 3Å; Y656-G667 PolarHBondContact O-N 2.92Å; Y656-G667 VanDerWaalsContact O-N 3.17Å; A665-G667 PolarHBondContact O-N 3.25Å |
| 668 | L | 87 | Confident | 82 | Confident | 33 Ų | 33 | 52 Ų | 52 | 17% | 0.173 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 156 | 178.3 | 64 | 95.9 | 0 | 0 | 0 | 110.6 | P612 T613 R614 T653 F654 Y655 L670 | P612-L668 HydrophobicContact CB-CD1 4.14Å; P612-L668 HydrophobicContact CB-CD2 4.43Å; P612-L668 HydrophobicContact CG-CD1 4.08Å; P612-L668 WeakPolarHBondContact O-CD2 3.4Å; T613-L668 VanDerWaalsContact C-CD2 3.47Å; R614-L668 HydrophobicContact CG-CD2 3.89Å; T653-L668 HydrophobicContact CG2-CB 4.45Å; T653-L668 HydrophobicContact CG2-CD1 4.34Å; F654-L668 CarbonylContact O-C 3.53Å; F654-L668 VanDerWaalsContact O-CA 3.24Å; F654-L668 WeakPolarHBondContact O-CA 3.24Å; Y655-L668 HydrophobicContact CD1-CB 3.77Å; Y655-L668 HydrophobicContact CD1-CD2 4.33Å; Y655-L668 HydrophobicContact CE1-CB 4.12Å; Y655-L668 HydrophobicContact CE1-CD2 4.11Å; Y655-L668 HydrophobicContact CG-CB 4.37Å; L668-L670 HydrophobicContact CD1-CD1 3.94Å |
| 669 | I | 80.9 | Confident | 81.6 | Confident | 5 Ų | 5 | 46.1 Ų | 46.1 | 3% | 0.026 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 116.9 | 179.3 | -51.6 | 175 | 0 | 0 | 0 | 107.1 | F654 Y656 L671 F674 I691 F698 F700 | F654-I669 HydrophobicContact CB-CB 4.45Å; F654-I669 HydrophobicContact CD1-CB 4.49Å; F654-I669 HydrophobicContact CD1-CD1 3.96Å; F654-I669 HydrophobicContact CD1-CG1 4.32Å; F654-I669 HydrophobicContact CE1-CD1 4.4Å; F654-I669 PolarHBondContact N-O 3.23Å; F654-I669 PolarHBondContact O-N 2.65Å; Y656-I669 HydrophobicContact CE1-CG1 4.34Å; I669-L671 HydrophobicContact CG2-CD2 4.15Å; I669-L671 PolarHBondContact O-N 3.07Å; I669-F674 HydrophobicContact CG2-CD1 4.39Å; I669-F674 HydrophobicContact CG2-CD2 4.1Å; I669-F674 HydrophobicContact CG2-CE1 4.04Å; I669-F674 HydrophobicContact CG2-CE2 3.72Å; I669-F674 HydrophobicContact CG2-CG 4.42Å; I669-F674 HydrophobicContact CG2-CZ 3.67Å; I669-I691 HydrophobicContact CD1-CD1 4.39Å; I669-F698 HydrophobicContact CD1-CB 4.41Å; I669-F698 HydrophobicContact CD1-CD1 4.37Å; I669-F698 HydrophobicContact CD1-CD2 3.45Å; I669-F698 VanDerWaalsContact CD1-CD2 3.45Å; I669-F698 HydrophobicContact CD1-CE2 3.67Å; I669-F698 HydrophobicContact CD1-CG 3.83Å; I669-F698 HydrophobicContact CD1-CZ 4.23Å; I669-F698 HydrophobicContact CG1-CD2 4.22Å; I669-F698 HydrophobicContact CG1-CE2 3.91Å; I669-F698 HydrophobicContact CG1-CZ 4.24Å; I669-F700 HydrophobicContact CD1-CE2 4.15Å; I669-F700 HydrophobicContact CD1-CZ 4.37Å |
| 670 | L | 77.6 | Confident | 80.7 | Confident | 67 Ų | 67 | 49 Ų | 49 | 35% | 0.351 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 119.2 | 163.2 | -64.7 | 95.4 | 0 | 0 | 0 | 107.1 | N605 P612 L668 H672 F674 | N605-L670 HydrophobicContact CB-CD2 4.31Å; P612-L670 HydrophobicContact CG-CD1 3.88Å; P612-L670 HydrophobicContact CG-CD2 3.9Å; P612-L670 HydrophobicContact CG-CG 3.9Å; L668-L670 HydrophobicContact CD1-CD1 3.94Å; L670-H672 VanDerWaalsContact C-N 3.34Å; L670-H672 PolarHBondContact O-N 3.37Å; L670-F674 WeakPolarHBondContact O-CD2 3.44Å; L670-F674 WeakPolarHBondContact O-CE2 3.46Å |
| 671 | L | 78 | Confident | 79.6 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 28% | 0.282 | C | S | . | . | trans | -78.2 | -19.6 | -166.9 | -64.6 | 171.2 | 0 | 0 | 0 | 113.8 | Y649 S652 F654 I669 G673 F674 I691 L715 A718 S719 | Y649-L671 HydrophobicContact CD2-CD1 3.63Å; Y649-L671 HydrophobicContact CE2-CD1 3.6Å; S652-L671 PolarHBondContact O-N 3.31Å; S652-L671 VanDerWaalsContact O-N 3.13Å; F654-L671 HydrophobicContact CB-CD1 4.13Å; F654-L671 HydrophobicContact CB-CD2 3.87Å; F654-L671 HydrophobicContact CB-CG 4.08Å; I669-L671 HydrophobicContact CG2-CD2 4.15Å; I669-L671 PolarHBondContact O-N 3.07Å; L671-G673 PolarHBondContact O-N 2.97Å; L671-G673 VanDerWaalsContact O-N 3.16Å; L671-F674 WeakPolarHBondContact O-CB 3.28Å; L671-F674 PolarHBondContact O-N 3.44Å; L671-I691 HydrophobicContact CD2-CG2 4.26Å; L671-L715 HydrophobicContact CD1-CB 4.26Å; L671-L715 HydrophobicContact CD1-CD2 3.49Å; L671-L715 VanDerWaalsContact CD1-CD2 3.49Å; L671-L715 HydrophobicContact CD1-CG 4.49Å; L671-L715 HydrophobicContact CD2-CD2 4.31Å; L671-A718 HydrophobicContact CB-CB 4.24Å; L671-A718 HydrophobicContact CD1-CB 3.61Å; L671-S719 VanDerWaalsContact O-CA 3.31Å; L671-S719 WeakPolarHBondContact O-CA 3.37Å; L671-S719 WeakPolarHBondContact O-CB 3.47Å | ||
| 672 | H | 65.6 | Low | 77.9 | Confident | 58 Ų | 58 | 47.7 Ų | 47.7 | 27% | 0.269 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | 117.4 | -174.9 | -168.5 | -71.8 | 0 | 0 | 0 | 111.9 | L670 F674 | L670-H672 VanDerWaalsContact C-N 3.34Å; L670-H672 PolarHBondContact O-N 3.37Å; H672-F674 VanDerWaalsContact C-N 3.33Å; H672-F674 PolarHBondContact O-N 3.35Å |
| 673 | G | 58.7 | Low | 76.6 | Confident | 25 Ų | 25 | 56.2 Ų | 56.2 | 26% | 0.258 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.8 | 13.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | R587 L671 S719 | R587-G673 WeakPolarHBondContact CD-O 3.44Å; R587-G673 PolarHBondContact NH1-O 3.22Å; L671-G673 PolarHBondContact O-N 2.97Å; L671-G673 VanDerWaalsContact O-N 3.16Å; G673-S719 PolarHBondContact N-O 3.3Å |
| 674 | F | 76.5 | Confident | 75.4 | Confident | 30 Ų | 30 | 51.8 Ų | 51.8 | 13% | 0.132 | 31% | 0.309 | C | S | . | . | trans | -82 | 157.6 | 157 | -80.1 | -104.7 | 0 | 0 | 0 | 110.3 | I669 L670 L671 H672 I691 F692 N693 F698 S719 | I669-F674 HydrophobicContact CG2-CD1 4.39Å; I669-F674 HydrophobicContact CG2-CD2 4.1Å; I669-F674 HydrophobicContact CG2-CE1 4.04Å; I669-F674 HydrophobicContact CG2-CE2 3.72Å; I669-F674 HydrophobicContact CG2-CG 4.42Å; I669-F674 HydrophobicContact CG2-CZ 3.67Å; L670-F674 WeakPolarHBondContact O-CD2 3.44Å; L670-F674 WeakPolarHBondContact O-CE2 3.46Å; L671-F674 WeakPolarHBondContact O-CB 3.28Å; L671-F674 PolarHBondContact O-N 3.44Å; H672-F674 VanDerWaalsContact C-N 3.33Å; H672-F674 PolarHBondContact O-N 3.35Å; F674-I691 HydrophobicContact CB-CG2 4.03Å; F674-I691 HydrophobicContact CD1-CG2 3.84Å; F674-I691 HydrophobicContact CG-CG2 4.17Å; F674-F692 CarbonylContact C-O 3.54Å; F674-F692 WeakPolarHBondContact CA-O 3.32Å; F674-F692 VanDerWaalsContact CD1-C 3.46Å; F674-N693 HydrophobicContact CD1-CB 3.99Å; F674-N693 HydrophobicContact CE1-CB 4.2Å; F674-N693 VanDerWaalsContact CE1-ND2 3.26Å; F674-N693 WeakPolarHBondContact CE1-ND2 3.31Å; F674-N693 WeakPolarHBondContact CE2-ND2 3.29Å; F674-N693 HydrophobicContact CG-CB 4.3Å; F674-N693 WeakPolarHBondContact CZ-ND2 3.3Å; F674-F698 HydrophobicContact CE1-CD2 4.41Å; F674-F698 HydrophobicContact CE1-CE2 4.22Å; F674-S719 WeakPolarHBondContact O-CB 3.32Å | ||
| 675 | T | 79.9 | Confident | 74.5 | Confident | 67 Ų | 67 | 52.5 Ų | 52.5 | 41% | 0.411 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 137.9 | 170.6 | -49.4 | 0 | 0 | 0 | 0 | 109.3 | T677 F692 | T675-T677 HydrophobicContact CG2-CG2 4.11Å; T675-F692 HydrophobicContact CG2-CE1 4.2Å; T675-F692 HydrophobicContact CG2-CZ 4.04Å; T675-F692 PolarHBondContact N-O 3.2Å; T675-F692 WeakPolarHBondContact O-CD1 3.49Å; T675-F692 PolarHBondContact O-N 3.07Å |
| 676 | I | 90.4 | Very high | 74 | Confident | 23 Ų | 23 | 55 Ų | 55 | 12% | 0.118 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 120.6 | -178.1 | -66.9 | 148.3 | 0 | 0 | 0 | 108.4 | F689 S690 I691 M712 L715 | I676-F689 HydrophobicContact CG2-CD2 4.42Å; I676-S690 WeakPolarHBondContact CA-O 3.43Å; I676-I691 HydrophobicContact CG1-CB 4.41Å; I676-I691 HydrophobicContact CG1-CG1 4.24Å; I676-I691 HydrophobicContact CG1-CG2 4.02Å; I676-M712 HydrophobicContact CG2-CB 4.19Å; I676-M712 HydrophobicContact CG2-CG 3.94Å; I676-L715 HydrophobicContact CD1-CB 3.53Å; I676-L715 WeakPolarHBondContact CD1-O 3.4Å |
| 677 | T | 87.1 | Confident | 74.1 | Confident | 45 Ų | 45 | 56.7 Ų | 56.7 | 28% | 0.276 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 153.6 | -177.1 | 63.1 | 0 | 0 | 0 | 0 | 110.7 | T675 F689 S690 F692 | T675-T677 HydrophobicContact CG2-CG2 4.11Å; T677-F689 CarbonylContact O-C 3.58Å; T677-F689 VanDerWaalsContact O-CA 3.28Å; T677-F689 WeakPolarHBondContact O-CA 3.4Å; T677-F689 WeakPolarHBondContact O-CB 3.25Å; T677-S690 PolarHBondContact N-O 3.14Å; T677-S690 VanDerWaalsContact N-O 3.07Å; T677-S690 PolarHBondContact O-N 3.36Å; T677-S690 PolarHBondContact OG1-OG 3.36Å; T677-S690 VanDerWaalsContact OG1-OG 3.13Å; T677-F692 HydrophobicContact CG2-CE1 3.8Å; T677-F692 HydrophobicContact CG2-CZ 4.35Å |
| 678 | P | 87.7 | Confident | 74.7 | Confident | 76 Ų | 76 | 56.8 Ų | 56.8 | 49% | 0.494 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 152.7 | 164.9 | 29.7 | -33.5 | 0 | 0 | 0 | 109.5 | M712 | P678-M712 HydrophobicContact CB-CE 4.17Å; P678-M712 HydrophobicContact CB-SD 4.38Å; P678-M712 HydrophobicContact CG-CE 4.34Å |
| 679 | A | 83.7 | Confident | 75 | Confident | 27 Ų | 27 | 55.2 Ų | 55.2 | 22% | 0.223 | 34% | 0.336 | C | S | . | . | trans | -131.3 | 128.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | S681 A688 V699 | A679-S681 PolarHBondContact O-N 2.95Å; A679-A688 HydrophobicContact CB-CB 4.21Å; A679-A688 PolarHBondContact N-O 2.89Å; A679-A688 WeakPolarHBondContact O-CB 3.3Å; A679-V699 HydrophobicContact CB-CG1 4.5Å | ||
| 680 | V | 69.8 | Low | 75.4 | Confident | 147 Ų | 147 | 55.2 Ų | 55.2 | 89% | 0.891 | 34% | 0.336 | S | S | * | . | trans | -80 | 106.4 | -176.5 | -169.6 | 0 | 0 | 0 | 0 | 109.8 | A682 | V680-A682 PolarHBondContact O-N 2.87Š| ||
| 681 | S | 64.1 | Low | 76 | Confident | 34 Ų | 34 | 52 Ų | 52 | 24% | 0.238 | 32% | 0.32 | C | S | . | . | trans | -99.7 | 74.1 | -179.8 | -154.7 | 0 | 0 | 0 | 0 | 111.8 | Y642 A679 K683 S684 | Y642-S681 PolarHBondContact OH-OG 3.39Å; A679-S681 PolarHBondContact O-N 2.95Å; S681-K683 PolarHBondContact O-N 2.87Å; S681-S684 PolarHBondContact O-N 3.24Å; S681-S684 VanDerWaalsContact O-N 3.16Å | ||
| 682 | A | 52 | Low | 76.1 | Confident | 96 Ų | 96 | 54.2 Ų | 54.2 | 79% | 0.793 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | 9.6 | -170.3 | 0 | 0 | 0 | 0 | 0 | 117.7 | V680 | V680-A682 PolarHBondContact O-N 2.87Š|
| 683 | K | 55.3 | Low | 76.4 | Confident | 214 Ų | 214 | 52.4 Ų | 52.4 | 93% | 0.93 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -141.8 | 6.7 | 178.6 | -65.4 | -165.4 | 175.6 | -169.1 | 0 | 114.8 | S681 | S681-K683 PolarHBondContact O-N 2.87Š|
| 684 | S | 57.2 | Low | 76.2 | Confident | 40 Ų | 40 | 55.4 Ų | 55.4 | 28% | 0.28 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.4 | -16.9 | -164.9 | -168.7 | 0 | 0 | 0 | 0 | 117.2 | S681 K686 | S681-S684 PolarHBondContact O-N 3.24Å; S681-S684 VanDerWaalsContact O-N 3.16Å; S684-K686 PolarHBondContact O-N 3.24Å |
| 685 | G | 63.3 | Low | 75.1 | Confident | 76 Ų | 76 | 61.5 Ų | 61.5 | 78% | 0.784 | 35% | 0.354 | S | S | * | . | trans | 62.2 | 1.6 | -172.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 686 | K | 74.5 | Confident | 74.6 | Confident | 56 Ų | 56 | 61.5 Ų | 61.5 | 24% | 0.243 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -101.1 | 143 | -176.1 | -69.1 | 176.2 | 179.4 | 177.5 | 0 | 111.3 | W631 S684 A688 A701 | W631-K686 HydrophobicContact CD2-CD 4.35Å; W631-K686 VanDerWaalsContact CD2-NZ 3.26Å; W631-K686 HydrophobicContact CG-CD 4.07Å; S684-K686 PolarHBondContact O-N 3.24Å; K686-A688 PolarHBondContact O-N 3.02Å; K686-A701 HydrophobicContact CB-CB 3.85Å |
| 687 | F | 88.8 | Confident | 74.1 | Confident | 71 Ų | 71 | 67.6 Ų | 67.6 | 31% | 0.311 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 88.4 | -174.3 | -62 | -85.7 | 0 | 0 | 0 | 109.7 | A701 S702 S704 E705 R708 | F687-A701 WeakPolarHBondContact O-CA 3.5Å; F687-S702 PolarHBondContact N-O 3.13Å; F687-S702 PolarHBondContact O-N 3.23Å; F687-S702 PolarHBondContact O-OG 2.99Å; F687-S704 VanDerWaalsContact CD2-CA 3.43Å; F687-E705 HydrophobicContact CD1-CB 3.56Å; F687-E705 HydrophobicContact CD1-CG 4.16Å; F687-E705 VanDerWaalsContact CD2-N 3.33Å; F687-E705 HydrophobicContact CE1-CB 3.64Å; F687-E705 HydrophobicContact CE1-CG 4.41Å; F687-E705 HydrophobicContact CG-CB 4.08Å; F687-E705 HydrophobicContact CZ-CB 4.22Å; F687-R708 HydrophobicContact CB-CB 3.85Å; F687-R708 HydrophobicContact CB-CG 4.25Å; F687-R708 WeakPolarHBondContact O-CG 3.33Å |
| 688 | A | 90.2 | Very high | 74.1 | Confident | 3 Ų | 3 | 67.7 Ų | 67.7 | 3% | 0.025 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 150.3 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | A679 K686 F700 A701 R708 | A679-A688 HydrophobicContact CB-CB 4.21Å; A679-A688 PolarHBondContact N-O 2.89Å; A679-A688 WeakPolarHBondContact O-CB 3.3Å; K686-A688 PolarHBondContact O-N 3.02Å; A688-F700 CarbonylContact C-O 3.4Å; A688-F700 VanDerWaalsContact CA-O 3.25Å; A688-F700 WeakPolarHBondContact CA-O 3.18Å; A688-A701 HydrophobicContact CB-CB 3.83Å; A688-R708 WeakPolarHBondContact O-CD 3.03Å |
| 689 | F | 93.4 | Very high | 74.1 | Confident | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 153.7 | 174.1 | 66.5 | -82 | 0 | 0 | 0 | 109.9 | L630 I676 T677 I691 F700 R708 W711 M712 L715 | L630-F689 HydrophobicContact CD1-CE1 4.3Å; L630-F689 HydrophobicContact CD1-CZ 3.9Å; L630-F689 HydrophobicContact CD2-CE1 4.16Å; I676-F689 HydrophobicContact CG2-CD2 4.42Å; T677-F689 CarbonylContact O-C 3.58Å; T677-F689 VanDerWaalsContact O-CA 3.28Å; T677-F689 WeakPolarHBondContact O-CA 3.4Å; T677-F689 WeakPolarHBondContact O-CB 3.25Å; F689-I691 HydrophobicContact CD2-CG1 4.16Å; F689-I691 HydrophobicContact CE2-CD1 4.07Å; F689-I691 HydrophobicContact CE2-CG1 3.96Å; F689-F700 HydrophobicContact CD1-CB 4.14Å; F689-F700 HydrophobicContact CD2-CB 4.47Å; F689-F700 HydrophobicContact CE1-CB 3.65Å; F689-F700 HydrophobicContact CE2-CB 4.01Å; F689-F700 HydrophobicContact CE2-CD2 4.45Å; F689-F700 HydrophobicContact CZ-CB 3.59Å; F689-F700 HydrophobicContact CZ-CG 4.3Å; F689-F700 PolarHBondContact N-O 3.48Å; F689-F700 PolarHBondContact O-N 3.29Å; F689-R708 HydrophobicContact CB-CG 4.26Å; F689-R708 HydrophobicContact CD1-CG 3.9Å; F689-R708 HydrophobicContact CG-CG 4.45Å; F689-W711 HydrophobicContact CE1-CB 4.34Å; F689-W711 HydrophobicContact CZ-CB 4.01Å; F689-M712 HydrophobicContact CB-CG 3.8Å; F689-M712 HydrophobicContact CB-SD 3.68Å; F689-M712 HydrophobicContact CD2-CG 4.06Å; F689-M712 HydrophobicContact CG-CG 3.94Å; F689-M712 HydrophobicContact CG-SD 4.39Å; F689-L715 HydrophobicContact CE2-CD1 3.82Å; F689-L715 HydrophobicContact CZ-CD1 4.26Å |
| 690 | S | 89.3 | Confident | 74.6 | Confident | 5 Ų | 5 | 64 Ų | 64 | 4% | 0.035 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 131.1 | 177.2 | 74.9 | 0 | 0 | 0 | 0 | 111.5 | I676 T677 F692 F698 | I676-S690 WeakPolarHBondContact CA-O 3.43Å; T677-S690 PolarHBondContact N-O 3.14Å; T677-S690 VanDerWaalsContact N-O 3.07Å; T677-S690 PolarHBondContact O-N 3.36Å; T677-S690 PolarHBondContact OG1-OG 3.36Å; T677-S690 VanDerWaalsContact OG1-OG 3.13Å; S690-F692 WeakPolarHBondContact OG-CD1 3.24Å; S690-F698 CarbonylContact C-O 3.52Å; S690-F698 VanDerWaalsContact CA-O 3.25Å; S690-F698 WeakPolarHBondContact CA-O 3.35Å; S690-F698 WeakPolarHBondContact CB-O 3.23Å |
| 691 | I | 90.9 | Very high | 75.7 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 111.7 | 169.6 | -46.9 | 180 | 0 | 0 | 0 | 105.3 | F654 I669 L671 F674 I676 F689 F698 F700 L715 | F654-I691 HydrophobicContact CE1-CD1 4.45Å; I669-I691 HydrophobicContact CD1-CD1 4.39Å; L671-I691 HydrophobicContact CD2-CG2 4.26Å; F674-I691 HydrophobicContact CB-CG2 4.03Å; F674-I691 HydrophobicContact CD1-CG2 3.84Å; F674-I691 HydrophobicContact CG-CG2 4.17Å; I676-I691 HydrophobicContact CG1-CB 4.41Å; I676-I691 HydrophobicContact CG1-CG1 4.24Å; I676-I691 HydrophobicContact CG1-CG2 4.02Å; F689-I691 HydrophobicContact CD2-CG1 4.16Å; F689-I691 HydrophobicContact CE2-CD1 4.07Å; F689-I691 HydrophobicContact CE2-CG1 3.96Å; I691-F698 PolarHBondContact N-O 2.85Å; I691-F698 PolarHBondContact O-N 3.36Å; I691-F700 HydrophobicContact CD1-CD2 3.8Å; I691-F700 HydrophobicContact CD1-CE2 3.76Å; I691-F700 HydrophobicContact CG1-CD2 4.05Å; I691-F700 HydrophobicContact CG1-CE2 4.29Å; I691-L715 HydrophobicContact CD1-CD1 3.98Å |
| 692 | F | 80.6 | Confident | 77.1 | Confident | 45 Ų | 45 | 55.4 Ų | 55.4 | 20% | 0.197 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 160.2 | -174.3 | 72.2 | -84.5 | 0 | 0 | 0 | 113.7 | F674 T675 T677 S690 V696 R697 | F674-F692 CarbonylContact C-O 3.54Å; F674-F692 WeakPolarHBondContact CA-O 3.32Å; F674-F692 VanDerWaalsContact CD1-C 3.46Å; T675-F692 HydrophobicContact CG2-CE1 4.2Å; T675-F692 HydrophobicContact CG2-CZ 4.04Å; T675-F692 PolarHBondContact N-O 3.2Å; T675-F692 WeakPolarHBondContact O-CD1 3.49Å; T675-F692 PolarHBondContact O-N 3.07Å; T677-F692 HydrophobicContact CG2-CE1 3.8Å; T677-F692 HydrophobicContact CG2-CZ 4.35Å; S690-F692 WeakPolarHBondContact OG-CD1 3.24Å; F692-V696 CarbonylContact C-O 3.58Å; F692-V696 VanDerWaalsContact CA-O 3.24Å; F692-V696 WeakPolarHBondContact CA-O 3.41Å; F692-R697 HydrophobicContact CB-CB 3.63Å; F692-R697 HydrophobicContact CB-CG 3.88Å |
| 693 | N | 70.5 | Confident | 78.8 | Confident | 21 Ų | 21 | 55.3 Ų | 55.3 | 11% | 0.112 | 28% | 0.277 | C | S | . | . | trans | -139.6 | -171.6 | 166.1 | 65.5 | 27.5 | 0 | 0 | 0 | 108.7 | F674 W695 V696 | F674-N693 HydrophobicContact CD1-CB 3.99Å; F674-N693 HydrophobicContact CE1-CB 4.2Å; F674-N693 VanDerWaalsContact CE1-ND2 3.26Å; F674-N693 WeakPolarHBondContact CE1-ND2 3.31Å; F674-N693 WeakPolarHBondContact CE2-ND2 3.29Å; F674-N693 HydrophobicContact CG-CB 4.3Å; F674-N693 WeakPolarHBondContact CZ-ND2 3.3Å; N693-W695 HydrophobicContact CB-CE3 4.49Å; N693-W695 PolarHBondContact O-N 3.37Å; N693-W695 PolarHBondContact OD1-N 2.97Å; N693-V696 PolarHBondContact N-O 3.02Å; N693-V696 PolarHBondContact OD1-N 3.03Å | ||
| 694 | D | 55.5 | Low | 80.4 | Confident | 88 Ų | 88 | 47.4 Ų | 47.4 | 47% | 0.471 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -66.9 | -6.5 | -176.3 | -49.7 | -46.8 | 0 | 0 | 0 | 114.2 | R587 | R587-D694 IonicContact CZ-OD2 3.53Å; R587-D694 IonicContact NE-OD2 2.76Å; R587-D694 PolarHBondContact NE-OD2 3.3Å; R587-D694 IonicContact NH2-OD2 3.44Å; R587-D694 PolarHBondContact NH2-OD2 3.4Å |
| 695 | W | 53.6 | Low | 81.9 | Confident | 158 Ų | 158 | 50 Ų | 50 | 60% | 0.598 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -118.8 | -33.6 | -175.7 | -51.3 | -67.5 | 0 | 0 | 0 | 113.8 | L584 R587 N693 | L584-W695 HydrophobicContact CD2-CH2 3.89Å; L584-W695 HydrophobicContact CD2-CZ2 3.48Å; L584-W695 VanDerWaalsContact CD2-CZ2 3.48Å; R587-W695 VanDerWaalsContact NH2-CH2 3.34Å; N693-W695 HydrophobicContact CB-CE3 4.49Å; N693-W695 PolarHBondContact O-N 3.37Å; N693-W695 PolarHBondContact OD1-N 2.97Å |
| 696 | V | 69.3 | Low | 83.1 | Confident | 67 Ų | 67 | 53.1 Ų | 53.1 | 41% | 0.406 | 25% | 0.254 | S | S | . | . | trans | -142.4 | 137.3 | -173.4 | -173.1 | 0 | 0 | 0 | 0 | 110.9 | F692 N693 F698 | F692-V696 CarbonylContact C-O 3.58Å; F692-V696 VanDerWaalsContact CA-O 3.24Å; F692-V696 WeakPolarHBondContact CA-O 3.41Å; N693-V696 PolarHBondContact N-O 3.02Å; N693-V696 PolarHBondContact OD1-N 3.03Å; V696-F698 HydrophobicContact CB-CE2 4.37Å; V696-F698 HydrophobicContact CG1-CD2 4.06Å; V696-F698 HydrophobicContact CG1-CE1 4.23Å; V696-F698 HydrophobicContact CG1-CE2 3.52Å; V696-F698 HydrophobicContact CG1-CZ 3.62Å | ||
| 697 | R | 78.4 | Confident | 84 | Confident | 150 Ų | 150 | 52.1 Ų | 52.1 | 57% | 0.566 | 25% | 0.251 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 120.8 | 168.5 | 170.2 | 169.7 | -83.5 | 135.2 | -1.9 | 110.7 | F692 V699 | F692-R697 HydrophobicContact CB-CB 3.63Å; F692-R697 HydrophobicContact CB-CG 3.88Å; R697-V699 HydrophobicContact CG-CG2 4.12Å |
| 698 | F | 87.2 | Confident | 84.2 | Confident | 48 Ų | 48 | 50.7 Ų | 50.7 | 21% | 0.211 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 144.6 | 164.5 | -55.5 | -85.3 | 0 | 0 | 0 | 109.4 | I669 F674 S690 I691 V696 F700 | I669-F698 HydrophobicContact CD1-CB 4.41Å; I669-F698 HydrophobicContact CD1-CD1 4.37Å; I669-F698 HydrophobicContact CD1-CD2 3.45Å; I669-F698 VanDerWaalsContact CD1-CD2 3.45Å; I669-F698 HydrophobicContact CD1-CE2 3.67Å; I669-F698 HydrophobicContact CD1-CG 3.83Å; I669-F698 HydrophobicContact CD1-CZ 4.23Å; I669-F698 HydrophobicContact CG1-CD2 4.22Å; I669-F698 HydrophobicContact CG1-CE2 3.91Å; I669-F698 HydrophobicContact CG1-CZ 4.24Å; F674-F698 HydrophobicContact CE1-CD2 4.41Å; F674-F698 HydrophobicContact CE1-CE2 4.22Å; S690-F698 CarbonylContact C-O 3.52Å; S690-F698 VanDerWaalsContact CA-O 3.25Å; S690-F698 WeakPolarHBondContact CA-O 3.35Å; S690-F698 WeakPolarHBondContact CB-O 3.23Å; I691-F698 PolarHBondContact N-O 2.85Å; I691-F698 PolarHBondContact O-N 3.36Å; V696-F698 HydrophobicContact CB-CE2 4.37Å; V696-F698 HydrophobicContact CG1-CD2 4.06Å; V696-F698 HydrophobicContact CG1-CE1 4.23Å; V696-F698 HydrophobicContact CG1-CE2 3.52Å; V696-F698 HydrophobicContact CG1-CZ 3.62Å; F698-F700 HydrophobicContact CB-CD2 4.19Å; F698-F700 HydrophobicContact CB-CE2 3.56Å; F698-F700 HydrophobicContact CB-CZ 4.33Å; F698-F700 HydrophobicContact CG-CE2 4.34Å |
| 699 | V | 89.6 | Confident | 84.2 | Confident | 26 Ų | 26 | 52.3 Ų | 52.3 | 16% | 0.158 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 118.3 | 172.6 | -178.8 | 0 | 0 | 0 | 0 | 108.5 | K633 A679 R697 | K633-V699 HydrophobicContact CB-CB 4.02Å; K633-V699 HydrophobicContact CB-CG1 4.42Å; K633-V699 WeakPolarHBondContact CB-O 3.32Å; K633-V699 HydrophobicContact CD-CB 4.33Å; K633-V699 HydrophobicContact CD-CG1 4.49Å; K633-V699 PolarHBondContact N-O 3.17Å; A679-V699 HydrophobicContact CB-CG1 4.5Å; R697-V699 HydrophobicContact CG-CG2 4.12Å |
| 700 | F | 93.4 | Very high | 84.2 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 160.5 | 175.3 | -67.7 | -86.7 | 0 | 0 | 0 | 109.5 | L630 W631 L632 F654 Y656 I669 A688 F689 I691 F698 | L630-F700 HydrophobicContact CB-CD1 4.24Å; L630-F700 HydrophobicContact CD1-CD1 4.38Å; W631-F700 CarbonylContact O-C 3.51Å; W631-F700 VanDerWaalsContact O-CA 3.27Å; W631-F700 WeakPolarHBondContact O-CA 3.42Å; L632-F700 HydrophobicContact CB-CD1 4.18Å; L632-F700 HydrophobicContact CB-CE1 3.96Å; L632-F700 HydrophobicContact CD1-CD1 4.26Å; L632-F700 HydrophobicContact CD1-CE1 3.78Å; L632-F700 HydrophobicContact CD1-CE2 4.38Å; L632-F700 HydrophobicContact CD1-CZ 3.83Å; L632-F700 HydrophobicContact CG-CE1 4.29Å; F654-F700 HydrophobicContact CD1-CZ 4.49Å; F654-F700 AromaticContact CE1-CE1 3.83Å; F654-F700 HydrophobicContact CE1-CE1 3.83Å; F654-F700 AromaticContact CE1-CE2 3.92Å; F654-F700 HydrophobicContact CE1-CE2 3.92Å; F654-F700 AromaticContact CE1-CZ 3.47Å; F654-F700 HydrophobicContact CE1-CZ 3.47Å; F654-F700 VanDerWaalsContact CE1-CZ 3.47Å; F654-F700 HydrophobicContact CZ-CD1 4.4Å; F654-F700 HydrophobicContact CZ-CE1 4.03Å; F654-F700 HydrophobicContact CZ-CE2 4.43Å; F654-F700 HydrophobicContact CZ-CZ 4.07Å; Y656-F700 HydrophobicContact CD1-CZ 4.39Å; I669-F700 HydrophobicContact CD1-CE2 4.15Å; I669-F700 HydrophobicContact CD1-CZ 4.37Å; A688-F700 CarbonylContact C-O 3.4Å; A688-F700 VanDerWaalsContact CA-O 3.25Å; A688-F700 WeakPolarHBondContact CA-O 3.18Å; F689-F700 HydrophobicContact CD1-CB 4.14Å; F689-F700 HydrophobicContact CD2-CB 4.47Å; F689-F700 HydrophobicContact CE1-CB 3.65Å; F689-F700 HydrophobicContact CE2-CB 4.01Å; F689-F700 HydrophobicContact CE2-CD2 4.45Å; F689-F700 HydrophobicContact CZ-CB 3.59Å; F689-F700 HydrophobicContact CZ-CG 4.3Å; F689-F700 PolarHBondContact N-O 3.48Å; F689-F700 PolarHBondContact O-N 3.29Å; I691-F700 HydrophobicContact CD1-CD2 3.8Å; I691-F700 HydrophobicContact CD1-CE2 3.76Å; I691-F700 HydrophobicContact CG1-CD2 4.05Å; I691-F700 HydrophobicContact CG1-CE2 4.29Å; F698-F700 HydrophobicContact CB-CD2 4.19Å; F698-F700 HydrophobicContact CB-CE2 3.56Å; F698-F700 HydrophobicContact CB-CZ 4.33Å; F698-F700 HydrophobicContact CG-CE2 4.34Å |
| 701 | A | 92.4 | Very high | 84.4 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 150.1 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | L630 W631 Y642 K686 F687 A688 | L630-A701 WeakPolarHBondContact CD2-O 3.47Å; W631-A701 HydrophobicContact CB-CB 4.29Å; W631-A701 PolarHBondContact N-O 2.75Å; W631-A701 PolarHBondContact O-N 2.91Å; Y642-A701 HydrophobicContact CE1-CB 4.01Å; K686-A701 HydrophobicContact CB-CB 3.85Å; F687-A701 WeakPolarHBondContact O-CA 3.5Å; A688-A701 HydrophobicContact CB-CB 3.83Å |
| 702 | S | 92.8 | Very high | 84.5 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 165.1 | 174.7 | 58.3 | 0 | 0 | 0 | 0 | 110.2 | F687 S704 R708 | F687-S702 PolarHBondContact N-O 3.13Å; F687-S702 PolarHBondContact O-N 3.23Å; F687-S702 PolarHBondContact O-OG 2.99Å; S702-S704 VanDerWaalsContact C-N 3.33Å; S702-S704 PolarHBondContact OG-O 2.86Å; S702-R708 VanDerWaalsContact OG-CA 3.27Å; S702-R708 WeakPolarHBondContact OG-CA 3.47Å; S702-R708 VanDerWaalsContact OG-CB 3.28Å; S702-R708 WeakPolarHBondContact OG-CB 3.38Å; S702-R708 PolarHBondContact OG-N 3.31Å |
| 703 | D | 88.3 | Confident | 84.9 | Confident | 93 Ų | 93 | 60.2 Ų | 60.2 | 50% | 0.497 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -82 | -8.9 | -179.5 | -62.8 | -44.1 | 0 | 0 | 0 | 112.7 | W631 | W631-D703 PolarHBondContact NE1-OD1 3.38Å; W631-D703 PolarHBondContact NE1-OD2 3.32Å |
| 704 | S | 89.5 | Confident | 85.7 | Confident | 49 Ų | 49 | 62 Ų | 62 | 34% | 0.343 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -143.9 | 152.8 | 173.7 | 76.7 | 0 | 0 | 0 | 0 | 113.6 | F687 S702 I706 D707 R708 | F687-S704 VanDerWaalsContact CD2-CA 3.43Å; S702-S704 VanDerWaalsContact C-N 3.33Å; S702-S704 PolarHBondContact OG-O 2.86Å; S704-I706 VanDerWaalsContact C-N 3.26Å; S704-I706 PolarHBondContact O-N 2.77Å; S704-D707 PolarHBondContact O-N 3.04Å; S704-D707 PolarHBondContact OG-N 2.94Å; S704-R708 PolarHBondContact O-N 3.42Å |
| 705 | E | 87.6 | Confident | 87.3 | Confident | 94 Ų | 94 | 57.8 Ų | 57.8 | 44% | 0.439 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -63.4 | -32.8 | 177.4 | -173.5 | 142 | -135.4 | 0 | 0 | 113 | F687 R708 S709 | F687-E705 HydrophobicContact CD1-CB 3.56Å; F687-E705 HydrophobicContact CD1-CG 4.16Å; F687-E705 VanDerWaalsContact CD2-N 3.33Å; F687-E705 HydrophobicContact CE1-CB 3.64Å; F687-E705 HydrophobicContact CE1-CG 4.41Å; F687-E705 HydrophobicContact CG-CB 4.08Å; F687-E705 HydrophobicContact CZ-CB 4.22Å; E705-R708 WeakPolarHBondContact O-CB 3.27Å; E705-R708 PolarHBondContact O-N 3.37Å; E705-R708 IonicContact OE1-CZ 2.69Å; E705-R708 IonicContact OE1-NH1 3.16Å; E705-R708 PolarHBondContact OE1-NH1 3.32Å; E705-R708 IonicContact OE1-NH2 2.73Å; E705-R708 PolarHBondContact OE1-NH2 2.81Å; E705-S709 WeakPolarHBondContact O-CB 3.25Å; E705-S709 PolarHBondContact O-N 3.22Å; E705-S709 PolarHBondContact O-OG 3.28Å |
| 706 | I | 89.9 | Confident | 88.7 | Confident | 142 Ų | 142 | 51.2 Ų | 51.2 | 73% | 0.728 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -63.7 | -46.9 | 178 | -58.3 | 171.7 | 0 | 0 | 0 | 109.4 | S704 S709 K710 | S704-I706 VanDerWaalsContact C-N 3.26Å; S704-I706 PolarHBondContact O-N 2.77Å; I706-S709 PolarHBondContact O-N 2.82Å; I706-K710 WeakPolarHBondContact O-CB 3.37Å; I706-K710 PolarHBondContact O-N 3.46Å |
| 707 | D | 92 | Very high | 89 | Confident | 34 Ų | 34 | 51 Ų | 51 | 18% | 0.182 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -70.8 | -37.8 | 177.8 | -162 | 63.3 | 0 | 0 | 0 | 111.8 | S704 S709 K710 W711 | S704-D707 PolarHBondContact O-N 3.04Å; S704-D707 PolarHBondContact OG-N 2.94Å; D707-S709 VanDerWaalsContact C-N 3.26Å; D707-S709 PolarHBondContact O-N 3.4Å; D707-K710 PolarHBondContact O-N 2.83Å; D707-K710 IonicContact OD1-NZ 2.7Å; D707-K710 PolarHBondContact OD1-NZ 3.18Å; D707-W711 PolarHBondContact O-N 3.45Å; D707-W711 PolarHBondContact OD2-NE1 3.14Å |
| 708 | R | 93 | Very high | 88.7 | Confident | 42 Ų | 42 | 43.8 Ų | 43.8 | 16% | 0.158 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -51.6 | -49.7 | 170.6 | -169.4 | -158.6 | 64.7 | -149 | -10.9 | 110.7 | F687 A688 F689 S702 S704 E705 W711 M712 | F687-R708 HydrophobicContact CB-CB 3.85Å; F687-R708 HydrophobicContact CB-CG 4.25Å; F687-R708 WeakPolarHBondContact O-CG 3.33Å; A688-R708 WeakPolarHBondContact O-CD 3.03Å; F689-R708 HydrophobicContact CB-CG 4.26Å; F689-R708 HydrophobicContact CD1-CG 3.9Å; F689-R708 HydrophobicContact CG-CG 4.45Å; S702-R708 VanDerWaalsContact OG-CA 3.27Å; S702-R708 WeakPolarHBondContact OG-CA 3.47Å; S702-R708 VanDerWaalsContact OG-CB 3.28Å; S702-R708 WeakPolarHBondContact OG-CB 3.38Å; S702-R708 PolarHBondContact OG-N 3.31Å; S704-R708 PolarHBondContact O-N 3.42Å; E705-R708 WeakPolarHBondContact O-CB 3.27Å; E705-R708 PolarHBondContact O-N 3.37Å; E705-R708 IonicContact OE1-CZ 2.69Å; E705-R708 IonicContact OE1-NH1 3.16Å; E705-R708 PolarHBondContact OE1-NH1 3.32Å; E705-R708 IonicContact OE1-NH2 2.73Å; E705-R708 PolarHBondContact OE1-NH2 2.81Å; R708-W711 PolarHBondContact O-N 2.91Å; R708-M712 HydrophobicContact CG-SD 3.76Å; R708-M712 WeakPolarHBondContact O-CB 3.42Å; R708-M712 VanDerWaalsContact O-CG 3.29Å; R708-M712 WeakPolarHBondContact O-CG 3.14Å; R708-M712 PolarHBondContact O-N 3.42Å; R708-M712 HydrophobicContact CG-CG 4.43Å |
| 709 | S | 91.1 | Very high | 88 | Confident | 36 Ų | 36 | 42.1 Ų | 42.1 | 25% | 0.252 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -73.3 | -38.5 | -172.9 | -52.7 | 0 | 0 | 0 | 0 | 111.3 | E705 I706 D707 M712 N713 | E705-S709 WeakPolarHBondContact O-CB 3.25Å; E705-S709 PolarHBondContact O-N 3.22Å; E705-S709 PolarHBondContact O-OG 3.28Å; I706-S709 PolarHBondContact O-N 2.82Å; D707-S709 VanDerWaalsContact C-N 3.26Å; D707-S709 PolarHBondContact O-N 3.4Å; S709-M712 PolarHBondContact O-N 2.88Å; S709-N713 WeakPolarHBondContact O-CB 3.19Å; S709-N713 PolarHBondContact O-N 2.98Å; S709-N713 PolarHBondContact O-ND2 3.04Å; S709-N713 PolarHBondContact O-OD1 3.27Å |
| 710 | K | 93.1 | Very high | 87 | Confident | 101 Ų | 101 | 46.1 Ų | 46.1 | 44% | 0.439 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -56.3 | -48.6 | 168.9 | 167.9 | -174.5 | 150.8 | -144.2 | 0 | 112.3 | I706 D707 K714 | I706-K710 WeakPolarHBondContact O-CB 3.37Å; I706-K710 PolarHBondContact O-N 3.46Å; D707-K710 PolarHBondContact O-N 2.83Å; D707-K710 IonicContact OD1-NZ 2.7Å; D707-K710 PolarHBondContact OD1-NZ 3.18Å; K710-K714 PolarHBondContact O-N 3.03Å |
| 711 | W | 94.3 | Very high | 85 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -63.6 | -51.4 | 175.2 | -81.8 | 108.8 | 0 | 0 | 0 | 111.7 | C626 L630 C647 F654 F689 D707 R708 N713 K714 L715 | C626-W711 HydrophobicContact CB-CE3 4.09Å; C626-W711 HydrophobicContact CB-CH2 4.09Å; C626-W711 HydrophobicContact CB-CZ3 3.76Å; L630-W711 HydrophobicContact CD1-CD2 3.93Å; L630-W711 HydrophobicContact CD1-CE3 4.43Å; L630-W711 HydrophobicContact CD1-CG 4.21Å; L630-W711 HydrophobicContact CD1-CZ2 4.16Å; L630-W711 HydrophobicContact CD2-CG 4.47Å; L630-W711 HydrophobicContact CG-CZ2 4.41Å; C647-W711 HydrophobicContact CB-CH2 4Å; C647-W711 HydrophobicContact CB-CZ2 4.29Å; C647-W711 WeakPolarHBondContact O-CH2 3.34Å; F654-W711 HydrophobicContact CD2-CZ3 4.08Å; F654-W711 HydrophobicContact CE2-CE3 4.06Å; F654-W711 HydrophobicContact CE2-CH2 4.25Å; F654-W711 AromaticContact CE2-CZ3 3.66Å; F654-W711 HydrophobicContact CE2-CZ3 3.66Å; F689-W711 HydrophobicContact CE1-CB 4.34Å; F689-W711 HydrophobicContact CZ-CB 4.01Å; D707-W711 PolarHBondContact O-N 3.45Å; D707-W711 PolarHBondContact OD2-NE1 3.14Å; R708-W711 PolarHBondContact O-N 2.91Å; W711-N713 VanDerWaalsContact C-N 3.28Å; W711-N713 PolarHBondContact O-N 2.86Å; W711-K714 PolarHBondContact O-N 2.75Å; W711-L715 HydrophobicContact CB-CD1 4.35Å; W711-L715 HydrophobicContact CE3-CD1 4.07Å; W711-L715 HydrophobicContact CE3-CD2 4.36Å; W711-L715 HydrophobicContact CE3-CG 4.23Å; W711-L715 WeakPolarHBondContact O-CB 3.48Å; W711-L715 WeakPolarHBondContact O-CG 3.22Å; W711-L715 PolarHBondContact O-N 3.01Å |
| 712 | M | 92 | Very high | 82.7 | Confident | 24 Ų | 24 | 50.7 Ų | 50.7 | 12% | 0.118 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -56 | -41 | 179.7 | -77.3 | 173.9 | 51.5 | 0 | 0 | 112.4 | I676 P678 F689 R708 S709 G716 | I676-M712 HydrophobicContact CG2-CB 4.19Å; I676-M712 HydrophobicContact CG2-CG 3.94Å; P678-M712 HydrophobicContact CB-CE 4.17Å; P678-M712 HydrophobicContact CB-SD 4.38Å; P678-M712 HydrophobicContact CG-CE 4.34Å; F689-M712 HydrophobicContact CB-CG 3.8Å; F689-M712 HydrophobicContact CB-SD 3.68Å; F689-M712 HydrophobicContact CD2-CG 4.06Å; F689-M712 HydrophobicContact CG-CG 3.94Å; F689-M712 HydrophobicContact CG-SD 4.39Å; R708-M712 HydrophobicContact CG-SD 3.76Å; R708-M712 WeakPolarHBondContact O-CB 3.42Å; R708-M712 VanDerWaalsContact O-CG 3.29Å; R708-M712 WeakPolarHBondContact O-CG 3.14Å; R708-M712 PolarHBondContact O-N 3.42Å; R708-M712 HydrophobicContact CG-CG 4.43Å; S709-M712 PolarHBondContact O-N 2.88Å; M712-G716 PolarHBondContact O-N 2.95Å; M712-G716 WeakPolarHBondContact O-CA 3.39Å |
| 713 | N | 88.6 | Confident | 80.3 | Confident | 91 Ų | 91 | 54.1 Ų | 54.1 | 49% | 0.487 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -67 | -49.6 | 179.6 | -70.5 | -6.3 | 0 | 0 | 0 | 112.2 | S709 W711 G716 L717 | S709-N713 WeakPolarHBondContact O-CB 3.19Å; S709-N713 PolarHBondContact O-N 2.98Å; S709-N713 PolarHBondContact O-ND2 3.04Å; S709-N713 PolarHBondContact O-OD1 3.27Å; W711-N713 VanDerWaalsContact C-N 3.28Å; W711-N713 PolarHBondContact O-N 2.86Å; N713-G716 PolarHBondContact O-N 2.72Å; N713-L717 WeakPolarHBondContact O-CG 3.12Å; N713-L717 PolarHBondContact O-N 2.72Å; N713-L717 VanDerWaalsContact O-N 3.08Å |
| 714 | K | 87.8 | Confident | 78.1 | Confident | 58 Ų | 58 | 50.8 Ų | 50.8 | 25% | 0.252 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -66.5 | -42 | 179.9 | -87.9 | -176.1 | 168.6 | -95.9 | 0 | 112.8 | D625 C626 Y649 K710 W711 G716 A718 S724 | D625-K714 WeakPolarHBondContact O-CD 3.43Å; D625-K714 WeakPolarHBondContact O-CE 3.41Å; D625-K714 PolarHBondContact O-NZ 3.01Å; C626-K714 HydrophobicContact CB-CD 3.81Å; Y649-K714 HydrophobicContact CD1-CB 4.31Å; Y649-K714 HydrophobicContact CE1-CB 4.45Å; K710-K714 PolarHBondContact O-N 3.03Å; W711-K714 PolarHBondContact O-N 2.75Å; K714-G716 VanDerWaalsContact C-N 3.32Å; K714-A718 PolarHBondContact O-N 3.15Å; K714-S724 PolarHBondContact NZ-OG 3.41Å |
| 715 | L | 89.7 | Confident | 75.7 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -68.5 | -34.5 | 175.6 | -59 | 172.4 | 0 | 0 | 0 | 111.1 | Y649 F654 L671 I676 F689 I691 W711 A718 S719 | Y649-L715 HydrophobicContact CD2-CD2 3.9Å; Y649-L715 HydrophobicContact CG-CD2 3.91Å; F654-L715 HydrophobicContact CB-CD2 4.23Å; F654-L715 HydrophobicContact CD2-CD1 4.31Å; F654-L715 HydrophobicContact CD2-CD2 3.54Å; F654-L715 HydrophobicContact CE2-CD1 4.24Å; F654-L715 HydrophobicContact CE2-CD2 4.22Å; F654-L715 HydrophobicContact CG-CD2 4.18Å; L671-L715 HydrophobicContact CD1-CB 4.26Å; L671-L715 HydrophobicContact CD1-CD2 3.49Å; L671-L715 VanDerWaalsContact CD1-CD2 3.49Å; L671-L715 HydrophobicContact CD1-CG 4.49Å; L671-L715 HydrophobicContact CD2-CD2 4.31Å; I676-L715 HydrophobicContact CD1-CB 3.53Å; I676-L715 WeakPolarHBondContact CD1-O 3.4Å; F689-L715 HydrophobicContact CE2-CD1 3.82Å; F689-L715 HydrophobicContact CZ-CD1 4.26Å; I691-L715 HydrophobicContact CD1-CD1 3.98Å; W711-L715 HydrophobicContact CB-CD1 4.35Å; W711-L715 HydrophobicContact CE3-CD1 4.07Å; W711-L715 HydrophobicContact CE3-CD2 4.36Å; W711-L715 HydrophobicContact CE3-CG 4.23Å; W711-L715 WeakPolarHBondContact O-CB 3.48Å; W711-L715 WeakPolarHBondContact O-CG 3.22Å; W711-L715 PolarHBondContact O-N 3.01Å; L715-A718 WeakPolarHBondContact O-CB 3.37Å; L715-A718 PolarHBondContact O-N 2.83Å; L715-S719 PolarHBondContact O-N 3.03Å |
| 716 | G | 82.8 | Confident | 73.1 | Confident | 20 Ų | 20 | 52.8 Ų | 52.8 | 21% | 0.206 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.5 | -51.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | M712 N713 K714 A718 S719 I720 | M712-G716 PolarHBondContact O-N 2.95Å; M712-G716 WeakPolarHBondContact O-CA 3.39Å; N713-G716 PolarHBondContact O-N 2.72Å; K714-G716 VanDerWaalsContact C-N 3.32Å; G716-A718 PolarHBondContact O-N 3.22Å; G716-A718 VanDerWaalsContact C-N 3.31Å; G716-S719 PolarHBondContact O-N 3.27Å; G716-S719 VanDerWaalsContact O-N 3.13Å; G716-S719 PolarHBondContact O-OG 3.2Å; G716-I720 PolarHBondContact O-N 2.73Å |
| 717 | L | 75.9 | Confident | 70.3 | Confident | 62 Ų | 62 | 51.3 Ų | 51.3 | 33% | 0.325 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -54.7 | -47.3 | 173.9 | -68.8 | 169.9 | 0 | 0 | 0 | 111.4 | N713 S719 I720 G721 L722 | N713-L717 WeakPolarHBondContact O-CG 3.12Å; N713-L717 PolarHBondContact O-N 2.72Å; N713-L717 VanDerWaalsContact O-N 3.08Å; L717-S719 VanDerWaalsContact C-N 3.28Å; L717-S719 PolarHBondContact O-N 2.65Å; L717-I720 WeakPolarHBondContact O-CG1 3.18Å; L717-I720 PolarHBondContact O-N 3.07Å; L717-G721 PolarHBondContact O-N 2.93Å; L717-L722 HydrophobicContact CB-CB 4.34Å; L717-L722 PolarHBondContact O-N 2.85Å; L717-L722 HydrophobicContact CD2-CD1 4.36Å; L717-L722 WeakPolarHBondContact CB-O 3.33Å; L717-L722 HydrophobicContact CD2-CB 4.26Å; L717-L722 CarbonylContact C-O 3.59Å |
| 718 | A | 72.1 | Confident | 67.3 | Low | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.6 | -34.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y649 L671 K714 L715 G716 I720 G721 | Y649-A718 HydrophobicContact CE2-CB 3.59Å; Y649-A718 VanDerWaalsContact OH-CB 3.26Å; Y649-A718 WeakPolarHBondContact OH-CB 3.4Å; L671-A718 HydrophobicContact CB-CB 4.24Å; L671-A718 HydrophobicContact CD1-CB 3.61Å; K714-A718 PolarHBondContact O-N 3.15Å; L715-A718 WeakPolarHBondContact O-CB 3.37Å; L715-A718 PolarHBondContact O-N 2.83Å; G716-A718 PolarHBondContact O-N 3.22Å; G716-A718 VanDerWaalsContact C-N 3.31Å; A718-I720 PolarHBondContact O-N 2.91Å; A718-G721 PolarHBondContact O-N 3.24Å |
| 719 | S | 71 | Confident | 64.2 | Low | 12 Ų | 12 | 58.9 Ų | 58.9 | 8% | 0.084 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -70 | -21 | -179.3 | 73.7 | 0 | 0 | 0 | 0 | 114.3 | L671 G673 F674 L715 G716 L717 | L671-S719 VanDerWaalsContact O-CA 3.31Å; L671-S719 WeakPolarHBondContact O-CA 3.37Å; L671-S719 WeakPolarHBondContact O-CB 3.47Å; G673-S719 PolarHBondContact N-O 3.3Å; F674-S719 WeakPolarHBondContact O-CB 3.32Å; L715-S719 PolarHBondContact O-N 3.03Å; G716-S719 PolarHBondContact O-N 3.27Å; G716-S719 VanDerWaalsContact O-N 3.13Å; G716-S719 PolarHBondContact O-OG 3.2Å; L717-S719 VanDerWaalsContact C-N 3.28Å; L717-S719 PolarHBondContact O-N 2.65Å |
| 720 | I | 69.2 | Low | 61.1 | Low | 111 Ų | 111 | 69.3 Ų | 69.3 | 57% | 0.569 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.6 | 17.7 | 177.1 | 63.6 | 176.7 | 0 | 0 | 0 | 113 | G716 L717 A718 L722 | G716-I720 PolarHBondContact O-N 2.73Å; L717-I720 WeakPolarHBondContact O-CG1 3.18Å; L717-I720 PolarHBondContact O-N 3.07Å; A718-I720 PolarHBondContact O-N 2.91Å; I720-L722 VanDerWaalsContact C-N 3.31Å; I720-L722 HydrophobicContact CD1-CD1 3.93Å; I720-L722 HydrophobicContact CG1-CB 4.48Å; I720-L722 HydrophobicContact CG1-CD1 4.25Å; I720-L722 HydrophobicContact CG1-CG 4.49Å; I720-L722 PolarHBondContact O-N 2.88Å |
| 721 | G | 52.1 | Low | 58.3 | Low | 16 Ų | 16 | 70.2 Ų | 70.2 | 17% | 0.165 | 39% | 0.389 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 83.7 | -10.5 | 176 | 0 | 0 | 0 | 0 | 0 | 115.8 | L717 A718 S723 | L717-G721 PolarHBondContact O-N 2.93Å; A718-G721 PolarHBondContact O-N 3.24Å; G721-S723 PolarHBondContact O-N 3.5Å |
| 722 | L | 43.4 | Very low | 55 | Low | 79 Ų | 79 | 74.1 Ų | 74.1 | 41% | 0.414 | 43% | 0.429 | S | S | . | . | trans | -79.7 | 117 | -177.3 | -73.6 | 168.7 | 0 | 0 | 0 | 111.8 | L717 I720 | L717-L722 HydrophobicContact CB-CB 4.34Å; L717-L722 PolarHBondContact O-N 2.85Å; L717-L722 HydrophobicContact CD2-CD1 4.36Å; L717-L722 WeakPolarHBondContact CB-O 3.33Å; L717-L722 HydrophobicContact CD2-CB 4.26Å; L717-L722 CarbonylContact C-O 3.59Å; I720-L722 VanDerWaalsContact C-N 3.31Å; I720-L722 HydrophobicContact CD1-CD1 3.93Å; I720-L722 HydrophobicContact CG1-CB 4.48Å; I720-L722 HydrophobicContact CG1-CD1 4.25Å; I720-L722 HydrophobicContact CG1-CG 4.49Å; I720-L722 PolarHBondContact O-N 2.88Å | ||
| 723 | S | 43.6 | Very low | 51.9 | Low | 73 Ų | 73 | 76.2 Ų | 76.2 | 51% | 0.51 | 46% | 0.457 | S | S | . | . | trans | -70.6 | 140.9 | 175.9 | -176.6 | 0 | 0 | 0 | 0 | 111.9 | G721 A725 | G721-S723 PolarHBondContact O-N 3.5Å; S723-A725 PolarHBondContact O-N 3.33Å | ||
| 724 | S | 41.9 | Very low | 48.9 | Very low | 23 Ų | 23 | 80.3 Ų | 80.3 | 16% | 0.161 | 47% | 0.471 | C | S | . | . | S | Bend | trans | -79 | 26.3 | -177.6 | 74.7 | 0 | 0 | 0 | 0 | 114.8 | K714 I726 | K714-S724 PolarHBondContact NZ-OG 3.41Å; S724-I726 VanDerWaalsContact C-N 3.33Å |
| 725 | A | 38.2 | Very low | 46 | Very low | 83 Ų | 83 | 85.3 Ų | 85.3 | 69% | 0.686 | 50% | 0.5 | S | S | * | . | trans | -86.7 | 6.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | S723 P727 | S723-A725 PolarHBondContact O-N 3.33Å; A725-P727 WeakPolarHBondContact O-CD 3.49Å | ||
| 726 | I | 34 | Very low | 43.1 | Very low | 102 Ų | 102 | 90.5 Ų | 90.5 | 52% | 0.523 | 53% | 0.534 | S | S | . | . | trans | -97 | 115.5 | 177.6 | -49.5 | 174.5 | 0 | 0 | 0 | 109.7 | S724 N728 S729 | S724-I726 VanDerWaalsContact C-N 3.33Å; I726-N728 PolarHBondContact O-N 2.94Å; I726-S729 WeakPolarHBondContact CG2-OG 3.47Å | ||
| 727 | P | 30 | Very low | 40.3 | Very low | 111 Ų | 111 | 92.5 Ų | 92.5 | 72% | 0.721 | 55% | 0.554 | S | S | * | * | trans | -72.9 | 124.7 | 168.4 | -12.1 | 28.8 | 0 | 0 | 0 | 110.3 | A725 S729 | A725-P727 WeakPolarHBondContact O-CD 3.49Å; P727-S729 PolarHBondContact O-N 3.46Å; P727-S729 VanDerWaalsContact O-N 3.08Å | ||
| 728 | N | 29.2 | Very low | 37.9 | Very low | 169 Ų | 169 | 99.9 Ų | 99.9 | 90% | 0.904 | 58% | 0.579 | S | S | * | * | S | Bend | trans | 54.2 | 29.5 | 158.5 | -60.4 | -11.1 | 0 | 0 | 0 | 118.7 | I726 | I726-N728 PolarHBondContact O-N 2.94Š|
| 729 | S | 28.4 | Very low | 35.8 | Very low | 66 Ų | 66 | 106 Ų | 106 | 46% | 0.462 | 62% | 0.616 | S | S | . | * | trans | -77.5 | 129.1 | 164.1 | 67.4 | 0 | 0 | 0 | 0 | 110.8 | I726 P727 I731 | I726-S729 WeakPolarHBondContact CG2-OG 3.47Å; P727-S729 PolarHBondContact O-N 3.46Å; P727-S729 VanDerWaalsContact O-N 3.08Å; S729-I731 PolarHBondContact O-N 3.13Å | ||
| 730 | R | 26.8 | Very low | 33.8 | Very low | 254 Ų | 254 | 109.7 Ų | 109.7 | 96% | 0.958 | 64% | 0.638 | S | S | * | * | trans | -76 | 105 | 175.8 | -67.5 | -178.4 | -177.6 | 174.8 | 0.8 | 109.7 | ||||
| 731 | I | 32.8 | Very low | 31.6 | Very low | 121 Ų | 121 | 109.4 Ų | 109.4 | 62% | 0.621 | 65% | 0.646 | S | S | * | * | trans | -107.4 | 115.1 | 167.9 | -57.9 | 178.5 | 0 | 0 | 0 | 107.8 | S729 | S729-I731 PolarHBondContact O-N 3.13Š| ||
| 732 | G | 26.3 | Very low | 30.5 | Very low | 81 Ų | 81 | 114.1 Ų | 114.1 | 84% | 0.835 | 68% | 0.675 | S | S | * | * | trans | -70.4 | 145.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 733 | G | 25.6 | Very low | 29.8 | Very low | 69 Ų | 69 | 116.9 Ų | 116.9 | 71% | 0.711 | 69% | 0.69 | S | S | * | * | S | Bend | trans | 164.9 | -29.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 734 | F | 26.1 | Very low | 29.3 | Very low | 177 Ų | 177 | 118.2 Ų | 118.2 | 78% | 0.776 | 70% | 0.7 | S | S | * | * | trans | -129.7 | 94.6 | 179.1 | -72.2 | -79.8 | 0 | 0 | 0 | 111.5 | P736 | F734-P736 VanDerWaalsContact O-CD 3.32Å; F734-P736 WeakPolarHBondContact O-CD 3.4Å | ||
| 735 | N | 27.2 | Very low | 28.8 | Very low | 162 Ų | 162 | 126 Ų | 126 | 87% | 0.866 | 73% | 0.731 | S | S | * | * | trans | -78.5 | 120.5 | 164.1 | -85.3 | -12.4 | 0 | 0 | 0 | 109.6 | G737 | N735-G737 PolarHBondContact O-N 3.05Š| ||
| 736 | P | 28.4 | Very low | 28.6 | Very low | 109 Ų | 109 | 128.4 Ų | 128.4 | 71% | 0.708 | 73% | 0.732 | S | S | * | * | trans | -73.3 | 72.7 | 150.9 | 33.2 | -32.1 | 0 | 0 | 0 | 108.3 | F734 Y738 | F734-P736 VanDerWaalsContact O-CD 3.32Å; F734-P736 WeakPolarHBondContact O-CD 3.4Å; P736-Y738 PolarHBondContact O-N 3.12Å | ||
| 737 | G | 24 | Very low | 28.6 | Very low | 62 Ų | 62 | 130.8 Ų | 130.8 | 64% | 0.639 | 75% | 0.746 | S | S | * | * | trans | -61.5 | 134.2 | 164.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | N735 | N735-G737 PolarHBondContact O-N 3.05Š| ||
| 738 | Y | 26.3 | Very low | 28.5 | Very low | 217 Ų | 217 | 133.7 Ų | 133.7 | 85% | 0.851 | 75% | 0.75 | S | S | * | * | trans | 66.2 | 71.8 | -162.5 | -79.2 | -100.5 | 0 | 0 | 0 | 115 | P736 V740 | P736-Y738 PolarHBondContact O-N 3.12Å; Y738-V740 HydrophobicContact CE1-CG2 4.03Å; Y738-V740 HydrophobicContact CD1-CG2 3.78Å | ||
| 739 | V | 28.2 | Very low | 28.5 | Very low | 129 Ų | 129 | 131.3 Ų | 131.3 | 78% | 0.782 | 74% | 0.741 | S | S | * | * | -111.6 | 127 | 118.3 | -176.2 | 0 | 0 | 0 | 0 | 106.4 | |||||
| 740 | V | 28.1 | Very low | 28.7 | Very low | 89 Ų | 89 | 138 Ų | 138 | 54% | 0.539 | 76% | 0.762 | S | S | . | * | trans | -82.2 | 133.4 | -175.9 | 175.1 | 0 | 0 | 0 | 0 | 109.5 | Y738 C742 | Y738-V740 HydrophobicContact CE1-CG2 4.03Å; Y738-V740 HydrophobicContact CD1-CG2 3.78Å; V740-C742 PolarHBondContact O-N 3.42Å; V740-C742 VanDerWaalsContact O-N 3.09Å | ||
| 741 | S | 23.5 | Very low | 28.7 | Very low | 105 Ų | 105 | 130.1 Ų | 130.1 | 73% | 0.734 | 75% | 0.751 | S | S | * | * | trans | -66.7 | 103.8 | 164.1 | -63.5 | 0 | 0 | 0 | 0 | 109.2 | D743 | S741-D743 VanDerWaalsContact C-N 3.35Å; S741-D743 PolarHBondContact O-N 3.02Å | ||
| 742 | C | 29.3 | Very low | 28.5 | Very low | 116 Ų | 116 | 132.6 Ų | 132.6 | 78% | 0.784 | 76% | 0.76 | S | S | * | * | trans | -95.4 | 62.5 | 172.9 | -60.2 | 0 | 0 | 0 | 0 | 109.8 | V740 | V740-C742 PolarHBondContact O-N 3.42Å; V740-C742 VanDerWaalsContact O-N 3.09Å | ||
| 743 | D | 28.3 | Very low | 28.7 | Very low | 136 Ų | 136 | 135.8 Ų | 135.8 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | trans | -67.7 | 136.8 | 169.4 | -70.3 | -61.6 | 0 | 0 | 0 | 110.3 | S741 | S741-D743 VanDerWaalsContact C-N 3.35Å; S741-D743 PolarHBondContact O-N 3.02Å | ||
| 744 | S | 32.3 | Very low | 28.7 | Very low | 102 Ų | 102 | 137.4 Ų | 137.4 | 71% | 0.713 | 76% | 0.757 | S | S | * | * | 158.6 | 159.3 | 119.7 | -70.1 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 745 | K | 32.7 | Very low | 29.1 | Very low | 187 Ų | 187 | 134.3 Ų | 134.3 | 81% | 0.813 | 76% | 0.755 | S | S | * | * | trans | 78.3 | 114.8 | 162.9 | -53.4 | -161.3 | -178.3 | -176.3 | 0 | 114.4 | ||||
| 746 | N | 32.9 | Very low | 29.3 | Very low | 133 Ų | 133 | 134.8 Ų | 134.8 | 71% | 0.711 | 75% | 0.752 | S | S | * | * | S | Bend | cis | -147 | 162.6 | 12.3 | -72.3 | -40.8 | 0 | 0 | 0 | 108.9 | ||
| 747 | N | 33.7 | Very low | 29.5 | Very low | 152 Ų | 152 | 136.8 Ų | 136.8 | 81% | 0.813 | 75% | 0.751 | S | S | * | * | cis | -154.9 | -179.9 | -2.7 | -116.7 | 4.6 | 0 | 0 | 0 | 111 | ||||
| 748 | E | 27.6 | Very low | 29.6 | Very low | 171 Ų | 171 | 138.6 Ų | 138.6 | 80% | 0.799 | 75% | 0.754 | S | S | * | * | trans | -85.5 | 154 | -167.2 | -85.9 | -176.6 | 91.9 | 0 | 0 | 118.9 | ||||
| 749 | V | 30 | Very low | 29.3 | Very low | 119 Ų | 119 | 133.9 Ų | 133.9 | 72% | 0.721 | 75% | 0.752 | S | S | * | * | trans | 57.5 | 114.8 | 136.1 | 176.5 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 750 | K | 32 | Very low | 29.7 | Very low | 207 Ų | 207 | 133.3 Ų | 133.3 | 90% | 0.9 | 75% | 0.75 | S | S | * | * | -161.5 | 169.4 | 94 | -139.9 | 166.7 | -175.6 | -178.7 | 0 | 111.6 | |||||
| 751 | A | 28.5 | Very low | 29.7 | Very low | 88 Ų | 88 | 134.6 Ų | 134.6 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | trans | -123.4 | 161 | -173.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 752 | E | 27.5 | Very low | 29.8 | Very low | 173 Ų | 173 | 136.8 Ų | 136.8 | 81% | 0.808 | 76% | 0.761 | S | S | * | * | -168.5 | 139.3 | 128.8 | -106.9 | -175.6 | 144.3 | 0 | 0 | 114.3 | |||||
| 753 | I | 30.4 | Very low | 29.6 | Very low | 148 Ų | 148 | 136.3 Ų | 136.3 | 76% | 0.759 | 76% | 0.759 | S | S | * | * | trans | 66.2 | 141.9 | 147.3 | -61 | 164.2 | 0 | 0 | 0 | 120.3 | ||||
| 754 | S | 25.3 | Very low | 29.5 | Very low | 104 Ų | 104 | 137.1 Ų | 137.1 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | trans | -121.5 | -166.4 | -171.6 | -54 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 755 | P | 35.8 | Very low | 29.2 | Very low | 112 Ų | 112 | 136.6 Ų | 136.6 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | -126.3 | -175.7 | -65.9 | 37.3 | -22.5 | 0 | 0 | 0 | 111.7 | |||||
| 756 | Q | 30.7 | Very low | 28.8 | Very low | 172 Ų | 172 | 132.3 Ų | 132.3 | 80% | 0.804 | 75% | 0.753 | S | S | * | * | trans | -173.9 | 151.9 | 130.9 | -105.3 | 173.2 | 31.9 | 0 | 0 | 116 | ||||
| 757 | H | 31.7 | Very low | 28.4 | Very low | 150 Ų | 150 | 132.2 Ų | 132.2 | 69% | 0.694 | 76% | 0.758 | S | S | * | * | trans | 53.1 | 94.4 | 154.6 | -70.5 | -62 | 0 | 0 | 0 | 124.1 | ||||
| 758 | S | 26.5 | Very low | 28.3 | Very low | 100 Ų | 100 | 134.9 Ų | 134.9 | 70% | 0.699 | 76% | 0.762 | S | S | * | * | 38.5 | 126.4 | 114 | 58.1 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 759 | C | 20.5 | Very low | 28.2 | Very low | 119 Ų | 119 | 134.6 Ų | 134.6 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | trans | -70.7 | -165 | 159.3 | -34.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 760 | P | 37.3 | Very low | 28.3 | Very low | 116 Ų | 116 | 134.7 Ų | 134.7 | 75% | 0.753 | 77% | 0.772 | S | S | * | * | cis | -140.9 | -160.8 | -4.1 | 25.8 | 1.9 | 0 | 0 | 0 | 115.3 | ||||
| 761 | V | 26.4 | Very low | 28.2 | Very low | 117 Ų | 117 | 134 Ų | 134 | 71% | 0.709 | 77% | 0.769 | S | S | * | * | trans | 109 | 106 | 146.9 | -174.8 | 0 | 0 | 0 | 0 | 120 | ||||
| 762 | L | 26.5 | Very low | 28.3 | Very low | 150 Ų | 150 | 133.2 Ų | 133.2 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | trans | 59.2 | 136.2 | 143.8 | -64.8 | 171.8 | 0 | 0 | 0 | 124.4 | ||||
| 763 | S | 24.3 | Very low | 28.6 | Very low | 106 Ų | 106 | 130.3 Ų | 130.3 | 74% | 0.741 | 76% | 0.759 | S | S | * | * | trans | 50.3 | 145.8 | 145 | 55.6 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 764 | D | 26.9 | Very low | 28.6 | Very low | 153 Ų | 153 | 130.8 Ų | 130.8 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | cis | -148.1 | -163.4 | 22.3 | -146.9 | -40.6 | 0 | 0 | 0 | 112.7 | ||||
| 765 | S | 25.5 | Very low | 29 | Very low | 92 Ų | 92 | 129.7 Ų | 129.7 | 64% | 0.643 | 76% | 0.761 | S | S | * | * | trans | -74.9 | 175.9 | -165.5 | 68.9 | 0 | 0 | 0 | 0 | 118 | ||||
| 766 | S | 25.7 | Very low | 28.9 | Very low | 96 Ų | 96 | 130 Ų | 130 | 67% | 0.671 | 77% | 0.765 | S | S | * | * | trans | 92.2 | 94.5 | 150.7 | -55.9 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 767 | T | 24.1 | Very low | 28.8 | Very low | 131 Ų | 131 | 126.3 Ų | 126.3 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | trans | 42.8 | 118.2 | 136.4 | 55.8 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 768 | K | 30.3 | Very low | 28.8 | Very low | 208 Ų | 208 | 126.7 Ų | 126.7 | 90% | 0.904 | 77% | 0.771 | S | S | * | * | trans | -156.4 | 132.4 | 135.7 | -112.3 | 158.7 | -171.5 | 170.6 | 0 | 111.4 | ||||
| 769 | N | 26.8 | Very low | 29 | Very low | 166 Ų | 166 | 132.6 Ų | 132.6 | 89% | 0.888 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 144.7 | 172.2 | -67.9 | -11.5 | 0 | 0 | 0 | 110.4 | ||
| 770 | S | 32 | Very low | 29.4 | Very low | 121 Ų | 121 | 132.2 Ų | 132.2 | 85% | 0.846 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -97.8 | 154.4 | 154.4 | 50.1 | 0 | 0 | 0 | 0 | 109.9 | ||
| 771 | K | 29.8 | Very low | 29.2 | Very low | 193 Ų | 193 | 135.3 Ų | 135.3 | 84% | 0.839 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -96 | 155.1 | -175.5 | -97.3 | -169.5 | 170.1 | -163 | 0 | 112.7 | ||
| 772 | G | 31 | Very low | 29.6 | Very low | 71 Ų | 71 | 135.2 Ų | 135.2 | 73% | 0.732 | 78% | 0.781 | S | S | * | * | trans | 165.5 | 137.3 | 146.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 773 | D | 32.6 | Very low | 29.9 | Very low | 112 Ų | 112 | 135.9 Ų | 135.9 | 60% | 0.599 | 78% | 0.784 | S | S | * | * | cis | -175.5 | 138 | -40.9 | -107.9 | 2.3 | 0 | 0 | 0 | 105.7 | ||||
| 774 | N | 31.5 | Very low | 30.3 | Very low | 157 Ų | 157 | 135.2 Ų | 135.2 | 84% | 0.84 | 78% | 0.78 | S | S | * | * | trans | 68.5 | 152.4 | 166.4 | -53.5 | -39 | 0 | 0 | 0 | 116.9 | ||||
| 775 | A | 34 | Very low | 30.7 | Very low | 82 Ų | 82 | 132.5 Ų | 132.5 | 68% | 0.678 | 77% | 0.769 | S | S | * | * | cis | -153.9 | 163.4 | -6.1 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 776 | S | 32.9 | Very low | 31.1 | Very low | 117 Ų | 117 | 136.4 Ų | 136.4 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | trans | 46.6 | 122.9 | 147.5 | 59.6 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 777 | A | 28.9 | Very low | 31.6 | Very low | 96 Ų | 96 | 141.3 Ų | 141.3 | 79% | 0.793 | 78% | 0.778 | S | S | * | * | trans | -82.8 | 166.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 778 | L | 32 | Very low | 32.1 | Very low | 158 Ų | 158 | 140.1 Ų | 140.1 | 83% | 0.827 | 77% | 0.771 | S | S | * | * | trans | -170 | 139.2 | 140.6 | -108.6 | 160.4 | 0 | 0 | 0 | 113.2 | ||||
| 779 | R | 30.5 | Very low | 32.3 | Very low | 224 Ų | 224 | 135.4 Ų | 135.4 | 85% | 0.845 | 76% | 0.759 | S | S | * | * | trans | 62.8 | 126.1 | 171 | -63.6 | 174.9 | 175.6 | 156.9 | -1.9 | 116.3 | ||||
| 780 | S | 29 | Very low | 32.6 | Very low | 110 Ų | 110 | 133.4 Ų | 133.4 | 77% | 0.769 | 75% | 0.749 | S | S | * | * | cis | 88.3 | 108.9 | 31.1 | -57.3 | 0 | 0 | 0 | 0 | 115 | ||||
| 781 | E | 33.4 | Very low | 32.7 | Very low | 181 Ų | 181 | 136.4 Ų | 136.4 | 85% | 0.846 | 75% | 0.747 | S | S | * | * | trans | -162.4 | 145.2 | 138.1 | -118 | 166.3 | -141.3 | 0 | 0 | 112.2 | ||||
| 782 | T | 34.5 | Very low | 33 | Very low | 116 Ų | 116 | 132 Ų | 132 | 71% | 0.712 | 74% | 0.741 | S | S | * | * | trans | 47.6 | 122.2 | 167.6 | 54.2 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 783 | L | 31.8 | Very low | 33.1 | Very low | 163 Ų | 163 | 136 Ų | 136 | 85% | 0.853 | 74% | 0.74 | S | S | * | * | 59.9 | 136.3 | 72.7 | -89 | 72.9 | 0 | 0 | 0 | 114.1 | |||||
| 784 | S | 33.6 | Very low | 33.2 | Very low | 92 Ų | 92 | 136.7 Ų | 136.7 | 64% | 0.643 | 74% | 0.744 | S | S | * | * | cis | -161.8 | 139.1 | 6 | 52.2 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 785 | T | 35.7 | Very low | 33.2 | Very low | 96 Ų | 96 | 133.9 Ų | 133.9 | 59% | 0.589 | 74% | 0.736 | S | S | * | * | 60.7 | 132.1 | 123.8 | -44.8 | 0 | 0 | 0 | 0 | 118.4 | R787 | T785-R787 HydrophobicContact CG2-CG 4.25Š| |||
| 786 | F | 32.1 | Very low | 33.2 | Very low | 174 Ų | 174 | 137.4 Ų | 137.4 | 76% | 0.763 | 74% | 0.743 | S | S | * | * | -138.9 | 127 | 53.5 | -79.7 | -96.3 | 0 | 0 | 0 | 112.6 | |||||
| 787 | R | 36.1 | Very low | 33.2 | Very low | 200 Ų | 200 | 137.2 Ų | 137.2 | 76% | 0.755 | 74% | 0.737 | S | S | * | * | 79.5 | 139.7 | 94.6 | -71.5 | -156.5 | -177.8 | 170.5 | -2.6 | 114.8 | T785 | T785-R787 HydrophobicContact CG2-CG 4.25Š| |||
| 788 | T | 34.7 | Very low | 33.3 | Very low | 106 Ų | 106 | 141.8 Ų | 141.8 | 65% | 0.65 | 74% | 0.74 | S | S | * | * | cis | -163.9 | 129.6 | 6.9 | 10.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 789 | T | 35.8 | Very low | 33.3 | Very low | 108 Ų | 108 | 139.1 Ų | 139.1 | 66% | 0.663 | 73% | 0.729 | S | S | * | * | 63.1 | 143.7 | 96.4 | 65.7 | 0 | 0 | 0 | 0 | 117 | |||||
| 790 | D | 33.3 | Very low | 33.4 | Very low | 125 Ų | 125 | 134.3 Ų | 134.3 | 67% | 0.668 | 73% | 0.725 | S | S | * | * | cis | -155.2 | 173.7 | -5.9 | -87 | -23.3 | 0 | 0 | 0 | 108.1 | ||||
| 791 | F | 33.8 | Very low | 33.6 | Very low | 183 Ų | 183 | 133.6 Ų | 133.6 | 80% | 0.803 | 72% | 0.72 | S | S | * | * | -166.4 | 137.9 | 57.3 | -81.9 | -88.3 | 0 | 0 | 0 | 109.3 | |||||
| 792 | S | 35.3 | Very low | 33.6 | Very low | 102 Ų | 102 | 133.6 Ų | 133.6 | 71% | 0.713 | 72% | 0.72 | S | S | * | * | 65.6 | 142.7 | 86.9 | 91.4 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 793 | E | 33.8 | Very low | 33.4 | Very low | 154 Ų | 154 | 133 Ų | 133 | 72% | 0.72 | 72% | 0.721 | S | S | * | * | cis | -156.4 | 162.3 | 16.9 | -84.7 | -157.6 | 117.9 | 0 | 0 | 114 | ||||
| 794 | N | 33.8 | Very low | 33.5 | Very low | 127 Ų | 127 | 131 Ų | 131 | 68% | 0.679 | 72% | 0.716 | S | S | * | * | trans | 48.4 | 154.7 | 135.8 | -56.9 | -18.1 | 0 | 0 | 0 | 123.3 | ||||
| 795 | S | 32.6 | Very low | 33.3 | Very low | 97 Ų | 97 | 132 Ų | 132 | 68% | 0.678 | 72% | 0.723 | S | S | * | * | cis | -168.3 | 159.3 | -5.7 | -117.3 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 796 | L | 33.2 | Very low | 33.1 | Very low | 157 Ų | 157 | 133 Ų | 133 | 82% | 0.822 | 73% | 0.733 | S | S | * | * | trans | 74.6 | -170.9 | 149.9 | -67.4 | 174.5 | 0 | 0 | 0 | 122.5 | ||||
| 797 | T | 32.6 | Very low | 33.1 | Very low | 113 Ų | 113 | 132.4 Ų | 132.4 | 69% | 0.693 | 74% | 0.738 | S | S | * | * | trans | -166.4 | 162 | -140.1 | 51.1 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 798 | F | 32 | Very low | 33.5 | Very low | 192 Ų | 192 | 128 Ų | 128 | 84% | 0.842 | 74% | 0.735 | S | S | * | * | trans | 149.9 | 154.1 | 155 | -99.2 | -126.8 | 0 | 0 | 0 | 111.3 | ||||
| 799 | V | 31.9 | Very low | 33.3 | Very low | 101 Ų | 101 | 134.7 Ų | 134.7 | 61% | 0.612 | 75% | 0.749 | S | S | * | * | cis | -171.1 | 148 | -20.4 | 70.4 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 800 | T | 32.1 | Very low | 33.1 | Very low | 124 Ų | 124 | 138.4 Ų | 138.4 | 76% | 0.761 | 76% | 0.758 | S | S | * | * | trans | 54 | 164.4 | 155.4 | 43.7 | 0 | 0 | 0 | 0 | 123 | ||||
| 801 | S | 34.1 | Very low | 33 | Very low | 95 Ų | 95 | 136.7 Ų | 136.7 | 66% | 0.664 | 76% | 0.762 | S | S | * | * | cis | -166.9 | 143.4 | 1.8 | 29.1 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 802 | Q | 33.7 | Very low | 32.9 | Very low | 180 Ų | 180 | 132.2 Ų | 132.2 | 84% | 0.841 | 76% | 0.758 | S | S | * | * | trans | 56.6 | -178.5 | 150.3 | -54.3 | -170.7 | 36.3 | 0 | 0 | 119.3 | ||||
| 803 | S | 30.2 | Very low | 32.6 | Very low | 105 Ų | 105 | 134.7 Ų | 134.7 | 73% | 0.734 | 76% | 0.763 | S | S | * | * | cis | -167.1 | 172.3 | -1.4 | 11.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 804 | V | 32 | Very low | 32.6 | Very low | 121 Ų | 121 | 135.5 Ų | 135.5 | 73% | 0.733 | 77% | 0.766 | S | S | * | * | cis | -172.1 | 141.2 | -30.2 | 141.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 805 | S | 31.1 | Very low | 32.4 | Very low | 113 Ų | 113 | 134.2 Ų | 134.2 | 79% | 0.79 | 77% | 0.767 | S | S | * | * | trans | 68.6 | 167.5 | 166.7 | 81.9 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 806 | S | 31.8 | Very low | 32.4 | Very low | 116 Ų | 116 | 135.8 Ų | 135.8 | 81% | 0.811 | 77% | 0.772 | S | S | * | * | cis | -148.9 | -152.4 | 11 | 69.2 | 0 | 0 | 0 | 0 | 115 | ||||
| 807 | N | 30.6 | Very low | 32.3 | Very low | 161 Ų | 161 | 132.8 Ų | 132.8 | 86% | 0.861 | 77% | 0.765 | S | S | * | * | trans | -117.1 | 173 | -151.9 | -115.1 | -0 | 0 | 0 | 0 | 117.4 | ||||
| 808 | P | 45.5 | Very low | 32.2 | Very low | 108 Ų | 108 | 133.2 Ų | 133.2 | 70% | 0.701 | 77% | 0.772 | S | S | * | * | trans | -108.4 | -177.5 | -162.9 | 42.8 | -39.4 | 0 | 0 | 0 | 117.6 | ||||
| 809 | R | 31.1 | Very low | 32.6 | Very low | 247 Ų | 247 | 129.5 Ų | 129.5 | 93% | 0.932 | 77% | 0.767 | S | S | * | * | trans | -161.2 | 168.5 | 165.6 | -111 | 162.8 | -167.8 | -174.7 | 3.2 | 116.7 | ||||
| 810 | H | 30.8 | Very low | 32.4 | Very low | 185 Ų | 185 | 129.3 Ų | 129.3 | 86% | 0.856 | 77% | 0.771 | S | S | * | * | trans | -75.5 | -177.7 | -177.3 | -50.6 | -112.8 | 0 | 0 | 0 | 113.3 | ||||
| 811 | A | 31.9 | Very low | 32.4 | Very low | 90 Ų | 90 | 133 Ų | 133 | 74% | 0.744 | 78% | 0.777 | S | S | * | * | cis | -155.2 | 146.8 | 8.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 812 | A | 29.8 | Very low | 32.1 | Very low | 89 Ų | 89 | 133 Ų | 133 | 74% | 0.736 | 78% | 0.776 | S | S | * | * | 77.1 | 115.8 | 83.7 | 0 | 0 | 0 | 0 | 0 | 118.8 | |||||
| 813 | L | 29.5 | Very low | 32 | Very low | 154 Ų | 154 | 130.2 Ų | 130.2 | 81% | 0.806 | 77% | 0.772 | S | S | * | * | trans | 65.3 | 123.2 | 151 | -61.7 | 169.4 | 0 | 0 | 0 | 122 | ||||
| 814 | H | 33.6 | Very low | 32 | Very low | 170 Ų | 170 | 134.8 Ų | 134.8 | 79% | 0.787 | 78% | 0.779 | S | S | * | * | -179.5 | 144.3 | 104.6 | -101 | -73.1 | 0 | 0 | 0 | 114.3 | |||||
| 815 | S | 30 | Very low | 32 | Very low | 100 Ų | 100 | 134.8 Ų | 134.8 | 70% | 0.699 | 78% | 0.775 | S | S | * | * | trans | 55.3 | 134.7 | 139.6 | -59.8 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 816 | V | 31.9 | Very low | 32 | Very low | 130 Ų | 130 | 136.8 Ų | 136.8 | 79% | 0.788 | 78% | 0.776 | S | S | * | * | cis | -159.9 | 168.6 | -21.2 | -137.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 817 | S | 31.8 | Very low | 31.8 | Very low | 95 Ų | 95 | 142 Ų | 142 | 66% | 0.664 | 78% | 0.778 | S | S | * | * | trans | 57.4 | 104.5 | 146.4 | 64.2 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 818 | S | 30 | Very low | 32 | Very low | 122 Ų | 122 | 140 Ų | 140 | 85% | 0.853 | 78% | 0.776 | S | S | * | * | 58.2 | 155.3 | 110.5 | -54 | 0 | 0 | 0 | 0 | 123.9 | |||||
| 819 | P | 40.4 | Very low | 31.3 | Very low | 113 Ų | 113 | 142.3 Ų | 142.3 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | trans | -130.8 | -176.9 | -151.4 | 43.7 | -27.3 | 0 | 0 | 0 | 118.1 | ||||
| 820 | S | 29.5 | Very low | 31.4 | Very low | 98 Ų | 98 | 136 Ų | 136 | 69% | 0.685 | 78% | 0.776 | S | S | * | * | trans | 73.2 | 124.7 | 154 | 62.2 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 821 | F | 30.6 | Very low | 31.3 | Very low | 202 Ų | 202 | 134.9 Ų | 134.9 | 89% | 0.886 | 78% | 0.776 | S | S | * | * | -170.4 | -177.5 | 118.4 | -103.5 | -67.2 | 0 | 0 | 0 | 110.8 | |||||
| 822 | S | 29.2 | Very low | 31.5 | Very low | 94 Ų | 94 | 135.9 Ų | 135.9 | 66% | 0.657 | 77% | 0.774 | S | S | * | * | trans | -132.9 | 140 | -154.8 | 58.2 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 823 | T | 30.6 | Very low | 31.6 | Very low | 121 Ų | 121 | 136.8 Ų | 136.8 | 74% | 0.742 | 78% | 0.776 | S | S | * | * | trans | 56.3 | 125.4 | 142.8 | -46.1 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 824 | F | 30.8 | Very low | 31.5 | Very low | 201 Ų | 201 | 136.9 Ų | 136.9 | 88% | 0.882 | 77% | 0.772 | S | S | * | * | trans | -161.8 | 161.7 | 132.4 | -111.5 | -67.9 | 0 | 0 | 0 | 113 | ||||
| 825 | D | 30.6 | Very low | 31.4 | Very low | 122 Ų | 122 | 134.9 Ų | 134.9 | 65% | 0.652 | 77% | 0.774 | S | S | * | * | trans | -85.3 | 162 | -170.1 | -51.8 | -98.1 | 0 | 0 | 0 | 116.1 | ||||
| 826 | L | 32.3 | Very low | 31.4 | Very low | 155 Ų | 155 | 135.3 Ų | 135.3 | 81% | 0.812 | 78% | 0.775 | S | S | * | * | 175.4 | 126.8 | 104.2 | -91.7 | 172.4 | 0 | 0 | 0 | 116 | |||||
| 827 | R | 28.1 | Very low | 31.4 | Very low | 226 Ų | 226 | 133.9 Ų | 133.9 | 85% | 0.853 | 78% | 0.777 | S | S | * | * | trans | 20.1 | 132.3 | 148.6 | -68.1 | 178.7 | 169.8 | 178 | -3.7 | 121.9 | ||||
| 828 | S | 33 | Very low | 31.4 | Very low | 117 Ų | 117 | 135.6 Ų | 135.6 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | -151.8 | 142.9 | 119.2 | -60 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 829 | N | 31 | Very low | 31.5 | Very low | 157 Ų | 157 | 142 Ų | 142 | 84% | 0.84 | 79% | 0.785 | S | S | * | * | trans | -18.4 | 154.5 | 157.9 | -56.3 | -12.7 | 0 | 0 | 0 | 118.4 | ||||
| 830 | S | 33.9 | Very low | 30.9 | Very low | 115 Ų | 115 | 140.9 Ų | 140.9 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | cis | -165.3 | 164 | 6 | 37.5 | 0 | 0 | 0 | 0 | 114 | ||||
| 831 | L | 28.3 | Very low | 30.9 | Very low | 162 Ų | 162 | 144.2 Ų | 144.2 | 85% | 0.848 | 79% | 0.788 | S | S | * | * | trans | -65.9 | 173.5 | 159.3 | -79.6 | 161.5 | 0 | 0 | 0 | 112 | ||||
| 832 | P | 35.9 | Very low | 30.7 | Very low | 110 Ų | 110 | 140.1 Ų | 140.1 | 71% | 0.714 | 78% | 0.779 | S | S | * | * | cis | -142.4 | -159.6 | 19.5 | 45.8 | -26.3 | 0 | 0 | 0 | 116.5 | ||||
| 833 | S | 32.6 | Very low | 31 | Very low | 109 Ų | 109 | 144.6 Ų | 144.6 | 76% | 0.762 | 79% | 0.787 | S | S | * | * | trans | 83.2 | 123 | 159.6 | 62.2 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 834 | E | 26.8 | Very low | 31.3 | Very low | 156 Ų | 156 | 144.3 Ų | 144.3 | 73% | 0.729 | 79% | 0.788 | S | S | * | * | trans | -73.5 | 168.4 | 153.2 | -61.9 | -172.1 | 164.4 | 0 | 0 | 110.4 | C836 | E834-C836 PolarHBondContact OE2-SG 3.3Š| ||
| 835 | P | 33.1 | Very low | 31.3 | Very low | 127 Ų | 127 | 146.4 Ų | 146.4 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | -128.5 | 136.2 | 107 | 35.6 | -30.9 | 0 | 0 | 0 | 113.6 | |||||
| 836 | C | 28.7 | Very low | 31.3 | Very low | 109 Ų | 109 | 147.1 Ų | 147.1 | 74% | 0.736 | 79% | 0.793 | S | S | * | * | trans | -64.3 | 141 | 164.9 | -80.5 | 0 | 0 | 0 | 0 | 111.3 | E834 | E834-C836 PolarHBondContact OE2-SG 3.3Š| ||
| 837 | A | 33.2 | Very low | 31.2 | Very low | 100 Ų | 100 | 145.1 Ų | 145.1 | 83% | 0.826 | 79% | 0.792 | S | S | * | * | trans | -108.1 | 152.9 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 838 | D | 31.3 | Very low | 31.4 | Very low | 132 Ų | 132 | 139.2 Ų | 139.2 | 71% | 0.706 | 79% | 0.792 | S | S | * | * | trans | -63.4 | 137.6 | -164.5 | -100.6 | -71.9 | 0 | 0 | 0 | 116.7 | S840 | D838-S840 PolarHBondContact OD1-OG 3.11Å; D838-S840 PolarHBondContact OD1-N 3.48Å; D838-S840 WeakPolarHBondContact OD1-CB 3.43Å; D838-S840 VanDerWaalsContact OD1-CB 3.24Å | ||
| 839 | R | 30.9 | Very low | 31.3 | Very low | 257 Ų | 257 | 141.3 Ų | 141.3 | 97% | 0.97 | 79% | 0.793 | S | S | * | * | -144.5 | 69.1 | 129.8 | -132.3 | 176.8 | -172.4 | -175.3 | 2.1 | 111.4 | |||||
| 840 | S | 29 | Very low | 31.9 | Very low | 89 Ų | 89 | 139.5 Ų | 139.5 | 62% | 0.622 | 79% | 0.79 | S | S | * | * | trans | -85.6 | 137.4 | 178.4 | 57 | 0 | 0 | 0 | 0 | 113.3 | D838 | D838-S840 PolarHBondContact OD1-OG 3.11Å; D838-S840 PolarHBondContact OD1-N 3.48Å; D838-S840 WeakPolarHBondContact OD1-CB 3.43Å; D838-S840 VanDerWaalsContact OD1-CB 3.24Å | ||
| 841 | I | 28.4 | Very low | 32.2 | Very low | 167 Ų | 167 | 139.5 Ų | 139.5 | 86% | 0.856 | 79% | 0.787 | S | S | * | * | trans | -145 | 106.2 | 156 | -59.1 | -177.8 | 0 | 0 | 0 | 107.3 | ||||
| 842 | V | 27.2 | Very low | 32.3 | Very low | 117 Ų | 117 | 137.1 Ų | 137.1 | 71% | 0.709 | 78% | 0.784 | S | S | * | * | trans | -168.5 | 104.5 | 156.4 | 127.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 843 | F | 34.5 | Very low | 32.2 | Very low | 187 Ų | 187 | 137.8 Ų | 137.8 | 82% | 0.82 | 79% | 0.791 | S | S | * | * | trans | 62.8 | 167 | 155.6 | -63.9 | -55.7 | 0 | 0 | 0 | 117.6 | ||||
| 844 | P | 38.7 | Very low | 32 | Very low | 116 Ų | 116 | 138.4 Ų | 138.4 | 75% | 0.753 | 80% | 0.796 | S | S | * | * | cis | -135.9 | -178 | 22.8 | 44.2 | -26.5 | 0 | 0 | 0 | 117.6 | ||||
| 845 | R | 29.3 | Very low | 32.6 | Very low | 245 Ų | 245 | 136.8 Ų | 136.8 | 93% | 0.925 | 80% | 0.799 | S | S | * | * | trans | -146.4 | 156.7 | 153.7 | -153.6 | 170.2 | -172.8 | 174.6 | 2.9 | 110.9 | ||||
| 846 | N | 31.1 | Very low | 32.3 | Very low | 136 Ų | 136 | 135.4 Ų | 135.4 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | trans | -93 | 159.5 | -162.5 | -61.9 | -18.9 | 0 | 0 | 0 | 115.6 | ||||
| 847 | S | 30.1 | Very low | 32.4 | Very low | 114 Ų | 114 | 141.8 Ų | 141.8 | 80% | 0.797 | 81% | 0.807 | S | S | * | * | trans | 57.8 | 116.8 | 137.2 | 62.9 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 848 | A | 31.6 | Very low | 32.2 | Very low | 102 Ų | 102 | 141.3 Ų | 141.3 | 84% | 0.843 | 80% | 0.803 | S | S | * | * | trans | -141.8 | 150.5 | 139.6 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 849 | L | 32.5 | Very low | 32.1 | Very low | 161 Ų | 161 | 145.7 Ų | 145.7 | 84% | 0.843 | 81% | 0.809 | S | S | * | * | trans | -105.3 | 152.2 | 179.8 | -66.8 | 93.1 | 0 | 0 | 0 | 111.9 | ||||
| 850 | P | 42.7 | Very low | 32 | Very low | 118 Ų | 118 | 140.6 Ų | 140.6 | 77% | 0.766 | 80% | 0.8 | S | S | * | * | trans | -86.6 | 171.5 | 162.4 | 37.7 | -34.8 | 0 | 0 | 0 | 111.5 | ||||
| 851 | P | 40.1 | Very low | 32 | Very low | 115 Ų | 115 | 145.1 Ų | 145.1 | 75% | 0.747 | 81% | 0.808 | S | S | * | * | -143 | 165.6 | 123.8 | 38.4 | -26 | 0 | 0 | 0 | 116.4 | |||||
| 852 | S | 31.1 | Very low | 32.1 | Very low | 113 Ų | 113 | 145 Ų | 145 | 79% | 0.79 | 80% | 0.804 | S | S | * | * | trans | 57.7 | 98.7 | 151.7 | 60.4 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 853 | S | 32.8 | Very low | 32 | Very low | 124 Ų | 124 | 150.6 Ų | 150.6 | 87% | 0.867 | 81% | 0.812 | S | S | * | * | -147.4 | 156.2 | 111.8 | 68.3 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 854 | S | 28.1 | Very low | 31.7 | Very low | 122 Ų | 122 | 150.5 Ų | 150.5 | 85% | 0.853 | 81% | 0.814 | S | S | * | * | trans | -90.1 | 163.7 | -157.3 | -58.9 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 855 | P | 39.3 | Very low | 31.3 | Very low | 122 Ų | 122 | 149.8 Ų | 149.8 | 79% | 0.792 | 81% | 0.81 | S | S | * | * | trans | -121.3 | -176.4 | -162.8 | 43.8 | -32.3 | 0 | 0 | 0 | 116.3 | ||||
| 856 | A | 27.8 | Very low | 31.2 | Very low | 98 Ų | 98 | 146.3 Ų | 146.3 | 81% | 0.81 | 81% | 0.809 | S | S | * | * | trans | 77.4 | 117.4 | 148.3 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 857 | R | 30.4 | Very low | 30.9 | Very low | 243 Ų | 243 | 148.5 Ų | 148.5 | 92% | 0.917 | 82% | 0.815 | S | S | * | * | -152 | 142.6 | 124.2 | -153.7 | 170.1 | -168.5 | 165 | 5.7 | 111.5 | |||||
| 858 | A | 28.7 | Very low | 30.8 | Very low | 90 Ų | 90 | 149.9 Ų | 149.9 | 74% | 0.744 | 81% | 0.811 | S | S | * | * | trans | -106.3 | 139.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 859 | R | 30 | Very low | 30.7 | Very low | 223 Ų | 223 | 150.8 Ų | 150.8 | 84% | 0.842 | 81% | 0.809 | S | S | * | * | trans | -170.6 | 121.8 | 147.1 | -111.5 | 167.5 | -174.7 | 175 | 1.5 | 113.7 | ||||
| 860 | I | 28.4 | Very low | 30.3 | Very low | 151 Ų | 151 | 148.4 Ų | 148.4 | 77% | 0.774 | 81% | 0.806 | S | S | * | * | 24.3 | 133.5 | 127.5 | -47 | 172.2 | 0 | 0 | 0 | 117.7 | |||||
| 861 | K | 28.8 | Very low | 29.7 | Very low | 184 Ų | 184 | 149.4 Ų | 149.4 | 80% | 0.8 | 81% | 0.809 | S | S | * | * | trans | 100.1 | 139.5 | 179.1 | -64.5 | 178.2 | -178.3 | -173.7 | 0 | 112.3 | ||||
| 862 | H | 30.2 | Very low | 28.9 | Very low | 164 Ų | 164 | 148 Ų | 148 | 76% | 0.759 | 81% | 0.807 | S | S | * | * | cis | -138.3 | 154.5 | 0.2 | -132 | -78.6 | 0 | 0 | 0 | 111.4 | ||||
| 863 | R | 25.9 | Very low | 28.6 | Very low | 235 Ų | 235 | 153 Ų | 153 | 89% | 0.887 | 82% | 0.815 | S | S | * | * | trans | -68.8 | 132.8 | 158 | -92.8 | -178.8 | 168.2 | -177.6 | -3.8 | 108.6 | ||||
| 864 | Q | 28.3 | Very low | 28.2 | Very low | 184 Ų | 184 | 150.6 Ų | 150.6 | 86% | 0.86 | 81% | 0.809 | S | S | * | * | trans | -141.2 | 157.3 | 148.4 | -106.6 | 174.4 | -30.4 | 0 | 0 | 109 | ||||
| 865 | P | 29.5 | Very low | 28.1 | Very low | 102 Ų | 102 | 150.7 Ų | 150.7 | 66% | 0.662 | 81% | 0.809 | S | S | * | * | trans | -86.8 | 162.3 | -160.9 | 34.6 | -36.2 | 0 | 0 | 0 | 114 | E867 | P865-E867 PolarHBondContact O-N 3.47Š| ||
| 866 | L | 26.9 | Very low | 27.4 | Very low | 172 Ų | 172 | 154.5 Ų | 154.5 | 90% | 0.901 | 81% | 0.809 | S | S | * | * | trans | -66 | 111.9 | 159 | -77.6 | 157.9 | 0 | 0 | 0 | 108.5 | ||||
| 867 | E | 26.5 | Very low | 27.4 | Very low | 182 Ų | 182 | 155.2 Ų | 155.2 | 85% | 0.85 | 81% | 0.808 | S | S | * | * | trans | -72 | 135 | 176.2 | -66.3 | -160.6 | 136.1 | 0 | 0 | 111.4 | P865 | P865-E867 PolarHBondContact O-N 3.47Š| ||
| 868 | I | 28.1 | Very low | 27.4 | Very low | 142 Ų | 142 | 150.7 Ų | 150.7 | 73% | 0.728 | 80% | 0.797 | S | S | * | * | trans | -97.6 | 124.9 | 174.1 | -61.5 | 167.8 | 0 | 0 | 0 | 106.4 | S870 | I868-S870 VanDerWaalsContact C-N 3.29Å; I868-S870 PolarHBondContact O-N 3.5Å | ||
| 869 | P | 28.1 | Very low | 27.4 | Very low | 122 Ų | 122 | 150.7 Ų | 150.7 | 79% | 0.792 | 79% | 0.791 | S | S | * | * | trans | -71.5 | 84.1 | 178.8 | 29.3 | -34.5 | 0 | 0 | 0 | 110.9 | V871 | P869-V871 PolarHBondContact O-N 3.39Š| ||
| 870 | S | 25.3 | Very low | 27.6 | Very low | 111 Ų | 111 | 148.9 Ų | 148.9 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | trans | -84 | 95.9 | 168.4 | -66.9 | 0 | 0 | 0 | 0 | 109.5 | I868 | I868-S870 VanDerWaalsContact C-N 3.29Å; I868-S870 PolarHBondContact O-N 3.5Å | ||
| 871 | V | 30 | Very low | 27.6 | Very low | 139 Ų | 139 | 149.3 Ų | 149.3 | 84% | 0.842 | 80% | 0.796 | S | S | * | * | trans | -119.6 | 105.5 | 170.4 | -176.1 | 0 | 0 | 0 | 0 | 109.8 | P869 | P869-V871 PolarHBondContact O-N 3.39Š| ||
| 872 | A | 22.1 | Very low | 27.7 | Very low | 84 Ų | 84 | 149.4 Ų | 149.4 | 69% | 0.694 | 80% | 0.8 | S | S | * | * | trans | -142.9 | 132.1 | 163.6 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 873 | F | 24.9 | Very low | 28 | Very low | 220 Ų | 220 | 149.6 Ų | 149.6 | 97% | 0.965 | 81% | 0.805 | S | S | * | * | trans | 61.7 | 91.8 | -176.7 | -65.3 | -86.9 | 0 | 0 | 0 | 116 | ||||
| 874 | G | 25.7 | Very low | 28.3 | Very low | 72 Ų | 72 | 146.1 Ų | 146.1 | 74% | 0.742 | 80% | 0.803 | S | S | * | * | trans | -139 | 147.8 | 156 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 875 | C | 25.9 | Very low | 28.5 | Very low | 125 Ų | 125 | 140.6 Ų | 140.6 | 85% | 0.845 | 80% | 0.796 | S | S | * | * | trans | -76.1 | 151.1 | -174.7 | -63 | 0 | 0 | 0 | 0 | 112.5 | S877 | C875-S877 PolarHBondContact O-N 2.98Š| ||
| 876 | Y | 24.5 | Very low | 28.6 | Very low | 201 Ų | 201 | 144 Ų | 144 | 79% | 0.788 | 81% | 0.809 | S | S | * | * | trans | -68.9 | 121.9 | 158.5 | -93.4 | -97.1 | 0 | 0 | 0 | 109.1 | ||||
| 877 | S | 26.7 | Very low | 28.8 | Very low | 113 Ų | 113 | 142 Ų | 142 | 79% | 0.79 | 80% | 0.803 | S | S | * | * | trans | -150.8 | 70.8 | 166.1 | -65.4 | 0 | 0 | 0 | 0 | 107.7 | C875 | C875-S877 PolarHBondContact O-N 2.98Š| ||
| 878 | E | 30.2 | Very low | 29.1 | Very low | 149 Ų | 149 | 142.4 Ų | 142.4 | 70% | 0.696 | 81% | 0.805 | S | S | * | * | trans | -67 | 145.7 | 153.9 | -67.7 | 156.8 | 157.8 | 0 | 0 | 107.2 | ||||
| 879 | S | 30.3 | Very low | 29.4 | Very low | 89 Ų | 89 | 139.7 Ų | 139.7 | 62% | 0.622 | 80% | 0.804 | S | S | * | * | cis | -158.5 | 146.2 | 3.7 | 45.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 880 | E | 33.8 | Very low | 29.3 | Very low | 186 Ų | 186 | 142.9 Ų | 142.9 | 87% | 0.869 | 81% | 0.808 | S | S | * | * | trans | 61.9 | 131 | 137.6 | -64 | 165.1 | 150.1 | 0 | 0 | 120.8 | ||||
| 881 | D | 28.4 | Very low | 29.6 | Very low | 159 Ų | 159 | 142.6 Ų | 142.6 | 85% | 0.85 | 81% | 0.805 | S | S | * | * | trans | -90.2 | 159.7 | 172 | -64.2 | -72.2 | 0 | 0 | 0 | 111.9 | ||||
| 882 | E | 30.4 | Very low | 29.6 | Very low | 186 Ų | 186 | 143.6 Ų | 143.6 | 87% | 0.869 | 81% | 0.806 | S | S | * | * | trans | 57.1 | 112.7 | 159.8 | -67 | 179.4 | 162.7 | 0 | 0 | 120 | ||||
| 883 | I | 37 | Very low | 29.8 | Very low | 169 Ų | 169 | 144 Ų | 144 | 87% | 0.867 | 81% | 0.809 | S | S | * | * | -164.3 | 151.1 | 123.5 | -95.8 | 150.9 | 0 | 0 | 0 | 108.8 | |||||
| 884 | D | 31.1 | Very low | 30.1 | Very low | 161 Ų | 161 | 141.2 Ų | 141.2 | 86% | 0.861 | 80% | 0.804 | S | S | * | * | trans | -69.2 | 163.9 | -170.9 | -46.9 | -88.7 | 0 | 0 | 0 | 116 | ||||
| 885 | G | 33 | Very low | 30.5 | Very low | 68 Ų | 68 | 146 Ų | 146 | 70% | 0.701 | 81% | 0.807 | S | S | * | * | trans | 158.9 | 107.5 | 162.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 886 | D | 32.6 | Very low | 31.1 | Very low | 175 Ų | 175 | 146 Ų | 146 | 94% | 0.936 | 80% | 0.798 | S | S | * | * | trans | -67.9 | 166.1 | 177.8 | -61.3 | -74.8 | 0 | 0 | 0 | 114.2 | ||||
| 887 | V | 30.8 | Very low | 31.7 | Very low | 129 Ų | 129 | 143.4 Ų | 143.4 | 78% | 0.782 | 80% | 0.797 | S | S | * | * | trans | -131.4 | 150.9 | 179.3 | -167.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 888 | E | 31.8 | Very low | 32 | Very low | 191 Ų | 191 | 144.7 Ų | 144.7 | 89% | 0.893 | 80% | 0.795 | S | S | * | * | trans | 74.2 | 138.5 | -178.1 | -48.9 | -176.4 | -174.8 | 0 | 0 | 114 | ||||
| 889 | A | 34.4 | Very low | 32.3 | Very low | 84 Ų | 84 | 144.7 Ų | 144.7 | 69% | 0.694 | 80% | 0.8 | S | S | * | * | cis | -139.2 | 141.3 | 1.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 890 | E | 27.7 | Very low | 32.7 | Very low | 190 Ų | 190 | 148 Ų | 148 | 89% | 0.888 | 81% | 0.811 | S | S | * | * | 81.6 | 99.2 | 66.7 | -164 | 176.6 | -116.8 | 0 | 0 | 113.8 | |||||
| 891 | C | 30.4 | Very low | 32.5 | Very low | 105 Ų | 105 | 144.2 Ų | 144.2 | 71% | 0.709 | 80% | 0.803 | S | S | * | * | trans | -178.1 | 143.3 | 167.2 | 47.8 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 892 | D | 29.3 | Very low | 32.8 | Very low | 160 Ų | 160 | 144.3 Ų | 144.3 | 86% | 0.856 | 80% | 0.802 | S | S | * | * | cis | -141.1 | 154 | -6.2 | -76.9 | -49.2 | 0 | 0 | 0 | 110.1 | ||||
| 893 | A | 27.9 | Very low | 32.8 | Very low | 92 Ų | 92 | 139.7 Ų | 139.7 | 76% | 0.76 | 79% | 0.79 | S | S | * | * | trans | -157.7 | 96.8 | 161 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 894 | D | 29.9 | Very low | 32.4 | Very low | 161 Ų | 161 | 140 Ų | 140 | 86% | 0.861 | 79% | 0.788 | S | S | * | * | trans | 176.7 | 136.8 | 136.8 | -97.2 | -18.3 | 0 | 0 | 0 | 112 | ||||
| 895 | E | 35.7 | Very low | 32.3 | Very low | 172 Ų | 172 | 141.3 Ų | 141.3 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | trans | -147.1 | 112.8 | 148.8 | -88.4 | -146.2 | 148.2 | 0 | 0 | 110.5 | ||||
| 896 | N | 36.8 | Very low | 32.1 | Very low | 125 Ų | 125 | 141.2 Ų | 141.2 | 67% | 0.668 | 79% | 0.788 | S | S | * | * | trans | 63.3 | 102.4 | 139.7 | -51 | -41.2 | 0 | 0 | 0 | 118 | ||||
| 897 | I | 37.6 | Very low | 32.1 | Very low | 148 Ų | 148 | 139.7 Ų | 139.7 | 76% | 0.759 | 79% | 0.785 | S | S | * | * | 43.3 | 120.9 | 50.8 | -65.9 | 177.7 | 0 | 0 | 0 | 111.2 | |||||
| 898 | D | 32.8 | Very low | 32.1 | Very low | 140 Ų | 140 | 142 Ų | 142 | 75% | 0.749 | 79% | 0.788 | S | S | * | * | cis | -163.6 | -159.3 | -5.5 | -125.8 | -35.9 | 0 | 0 | 0 | 110 | ||||
| 899 | D | 37.7 | Very low | 32 | Very low | 148 Ų | 148 | 140.8 Ų | 140.8 | 79% | 0.791 | 79% | 0.786 | S | S | * | * | trans | 77.9 | 103.8 | 158.9 | -74 | -32 | 0 | 0 | 0 | 120.1 | ||||
| 900 | N | 37.6 | Very low | 31.8 | Very low | 160 Ų | 160 | 143.2 Ų | 143.2 | 86% | 0.856 | 79% | 0.788 | S | S | * | * | -159.9 | 154.8 | 91.5 | -139.1 | -33.5 | 0 | 0 | 0 | 112.6 | |||||
| 901 | C | 29.9 | Very low | 31.8 | Very low | 106 Ų | 106 | 141.4 Ų | 141.4 | 72% | 0.716 | 78% | 0.783 | S | S | * | * | trans | -113.5 | 159.7 | -178 | -85.7 | 0 | 0 | 0 | 0 | 113 | ||||
| 902 | I | 34.1 | Very low | 31.6 | Very low | 160 Ų | 160 | 146.6 Ų | 146.6 | 82% | 0.821 | 79% | 0.788 | S | S | * | * | 160.2 | 149.5 | 129.6 | -80.7 | 158 | 0 | 0 | 0 | 111.2 | |||||
| 903 | S | 31 | Very low | 31.6 | Very low | 89 Ų | 89 | 143.8 Ų | 143.8 | 62% | 0.622 | 77% | 0.773 | S | S | * | * | trans | -51.4 | 170.9 | -176.5 | 67.4 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 904 | E | 29.3 | Very low | 31.8 | Very low | 175 Ų | 175 | 149.6 Ų | 149.6 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | cis | -160.1 | -161.5 | 8.5 | -138.1 | 150.9 | -143.6 | 0 | 0 | 113 | ||||
| 905 | E | 28.7 | Very low | 32.3 | Very low | 189 Ų | 189 | 148.2 Ų | 148.2 | 88% | 0.883 | 78% | 0.775 | S | S | * | * | trans | -17.4 | 132.6 | 177.1 | -53.4 | -167.3 | 128.2 | 0 | 0 | 120.1 | ||||
| 906 | G | 28.9 | Very low | 32.2 | Very low | 67 Ų | 67 | 142.4 Ų | 142.4 | 69% | 0.691 | 76% | 0.762 | S | S | * | * | trans | 175.6 | 107.1 | 163.7 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 907 | T | 31.2 | Very low | 32 | Very low | 142 Ų | 142 | 142.7 Ų | 142.7 | 87% | 0.871 | 77% | 0.773 | S | S | * | * | trans | 48.3 | 112.4 | 152.4 | 48 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 908 | Q | 30.6 | Very low | 31.9 | Very low | 178 Ų | 178 | 140.2 Ų | 140.2 | 83% | 0.832 | 78% | 0.775 | S | S | * | * | trans | -4.7 | 122.1 | 151.2 | -55.9 | 176 | 10.4 | 0 | 0 | 120.3 | ||||
| 909 | L | 30.8 | Very low | 31.6 | Very low | 165 Ų | 165 | 139.1 Ų | 139.1 | 86% | 0.864 | 78% | 0.778 | S | S | * | * | trans | -142.2 | 136.5 | 145.6 | -68.2 | 176.4 | 0 | 0 | 0 | 107 | ||||
| 910 | N | 30.2 | Very low | 31.8 | Very low | 136 Ų | 136 | 137.6 Ų | 137.6 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | cis | 63.9 | 61.8 | 12 | -88.6 | -18.8 | 0 | 0 | 0 | 116.1 | ||||
| 911 | L | 27.9 | Very low | 31.5 | Very low | 151 Ų | 151 | 134.7 Ų | 134.7 | 79% | 0.791 | 77% | 0.769 | S | S | * | * | 25.1 | 140.5 | 128.5 | -80.7 | 164.9 | 0 | 0 | 0 | 120.3 | |||||
| 912 | R | 27 | Very low | 31.6 | Very low | 214 Ų | 214 | 137 Ų | 137 | 81% | 0.808 | 77% | 0.769 | S | S | * | * | trans | 80.5 | 151.2 | 150.6 | -80.1 | 179.1 | 152.6 | 176.1 | -0.5 | 116.4 | ||||
| 913 | N | 29.2 | Very low | 31.3 | Very low | 101 Ų | 101 | 135.3 Ų | 135.3 | 54% | 0.54 | 76% | 0.757 | S | S | . | * | cis | -167 | 169.7 | 11.5 | -132.4 | -15.2 | 0 | 0 | 0 | 116 | ||||
| 914 | R | 30.5 | Very low | 31.3 | Very low | 214 Ų | 214 | 140.2 Ų | 140.2 | 81% | 0.808 | 76% | 0.762 | S | S | * | * | trans | 72.9 | 170.3 | 141.1 | -84.7 | 173.2 | 174.8 | -175.3 | -3.1 | 119.8 | ||||
| 915 | P | 40.8 | Very low | 31.1 | Very low | 132 Ų | 132 | 142 Ų | 142 | 86% | 0.857 | 76% | 0.763 | S | S | * | * | cis | -118.7 | 173.4 | 3.7 | 21.5 | 2.1 | 0 | 0 | 0 | 115.8 | ||||
| 916 | G | 32.9 | Very low | 31.1 | Very low | 51 Ų | 51 | 138.2 Ų | 138.2 | 53% | 0.526 | 75% | 0.753 | S | S | . | * | cis | 171.1 | 177.8 | -5.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 917 | S | 32.5 | Very low | 30.8 | Very low | 130 Ų | 130 | 142.6 Ų | 142.6 | 91% | 0.909 | 76% | 0.758 | S | S | * | * | trans | 58.3 | 140 | 160.7 | 45.9 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 918 | A | 35.7 | Very low | 30.6 | Very low | 97 Ų | 97 | 143 Ų | 143 | 80% | 0.802 | 76% | 0.755 | S | S | * | * | cis | -145.6 | -172.7 | 6 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 919 | S | 27.9 | Very low | 30.3 | Very low | 116 Ų | 116 | 142 Ų | 142 | 81% | 0.811 | 76% | 0.755 | S | S | * | * | trans | -118.4 | -164.8 | -173.7 | -42.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 920 | P | 40.4 | Very low | 30.1 | Very low | 117 Ų | 117 | 139.6 Ų | 139.6 | 76% | 0.76 | 75% | 0.752 | S | S | * | * | cis | -150.4 | -178.1 | 16.4 | 45.3 | -23.7 | 0 | 0 | 0 | 120.6 | ||||
| 921 | S | 31.4 | Very low | 29.8 | Very low | 98 Ų | 98 | 139.5 Ų | 139.5 | 69% | 0.685 | 76% | 0.757 | S | S | * | * | trans | 98.6 | 149.2 | 140.8 | 84.6 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 922 | H | 31.8 | Very low | 29.8 | Very low | 155 Ų | 155 | 141 Ų | 141 | 72% | 0.718 | 76% | 0.76 | S | S | * | * | trans | 65.4 | 112.9 | 169.1 | -71.8 | 82.9 | 0 | 0 | 0 | 118.1 | ||||
| 923 | E | 29.6 | Very low | 29.9 | Very low | 125 Ų | 125 | 139.7 Ų | 139.7 | 58% | 0.584 | 76% | 0.763 | S | S | * | * | 85.1 | 138.3 | 79.1 | -87.8 | -139.4 | 103.1 | 0 | 0 | 113.8 | |||||
| 924 | R | 29.7 | Very low | 29.7 | Very low | 192 Ų | 192 | 142.3 Ų | 142.3 | 73% | 0.725 | 78% | 0.776 | S | S | * | * | cis | -132.6 | 173.6 | 7 | -92.2 | 164.2 | -163.3 | 155.5 | 16.8 | 110.1 | ||||
| 925 | Y | 25.7 | Very low | 29.5 | Very low | 211 Ų | 211 | 140.7 Ų | 140.7 | 83% | 0.827 | 78% | 0.778 | S | S | * | * | 61.4 | 135.3 | 51.1 | -69.5 | -77.5 | 0 | 0 | 0 | 114.9 | |||||
| 926 | V | 28.4 | Very low | 28.8 | Very low | 111 Ų | 111 | 140.1 Ų | 140.1 | 67% | 0.673 | 78% | 0.776 | S | S | * | * | cis | -136.7 | 145.8 | 19.7 | 174.9 | 0 | 0 | 0 | 0 | 112.6 | L928 | V926-L928 HydrophobicContact CG1-CB 4.41Å; V926-L928 HydrophobicContact CG1-CD1 4.41Å; V926-L928 HydrophobicContact CG1-CG 3.99Å | ||
| 927 | I | 22.3 | Very low | 28.6 | Very low | 158 Ų | 158 | 144.2 Ų | 144.2 | 81% | 0.81 | 79% | 0.785 | S | S | * | * | trans | -120.9 | 135.8 | 147.2 | -63.9 | 173.4 | 0 | 0 | 0 | 106.5 | ||||
| 928 | L | 27.9 | Very low | 28.3 | Very low | 152 Ų | 152 | 146 Ų | 146 | 80% | 0.796 | 78% | 0.779 | S | S | * | * | trans | -143.2 | 128.3 | 163.4 | -77.7 | 179.5 | 0 | 0 | 0 | 111.3 | V926 | V926-L928 HydrophobicContact CG1-CB 4.41Å; V926-L928 HydrophobicContact CG1-CD1 4.41Å; V926-L928 HydrophobicContact CG1-CG 3.99Å | ||
| 929 | N | 23.1 | Very low | 27.8 | Very low | 156 Ų | 156 | 148.8 Ų | 148.8 | 83% | 0.834 | 78% | 0.775 | S | S | * | * | trans | -95.9 | 153.1 | 152.4 | -74.4 | -19.8 | 0 | 0 | 0 | 107.8 | ||||
| 930 | S | 27.9 | Very low | 27.7 | Very low | 114 Ų | 114 | 154 Ų | 154 | 80% | 0.797 | 78% | 0.779 | S | S | * | * | trans | -156.6 | 129.9 | 156.8 | 55.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 931 | T | 23.7 | Very low | 27.1 | Very low | 135 Ų | 135 | 153.8 Ų | 153.8 | 83% | 0.828 | 78% | 0.775 | S | S | * | * | trans | -134.6 | 96.2 | 175.2 | 48.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 932 | E | 27.8 | Very low | 27.1 | Very low | 183 Ų | 183 | 157.4 Ų | 157.4 | 86% | 0.855 | 78% | 0.779 | S | S | * | * | trans | -163.7 | 151.4 | 171.3 | -94.5 | 132.6 | -156.7 | 0 | 0 | 104 | ||||
| 933 | E | 28.7 | Very low | 26.9 | Very low | 186 Ų | 186 | 157.2 Ų | 157.2 | 87% | 0.869 | 78% | 0.782 | S | S | * | * | cis | -147.9 | -172.4 | 14.4 | -132.5 | 165.3 | -175 | 0 | 0 | 110.4 | ||||
| 934 | N | 25.7 | Very low | 26.9 | Very low | 155 Ų | 155 | 157.4 Ų | 157.4 | 83% | 0.829 | 79% | 0.786 | S | S | * | * | trans | -108 | 167.8 | -176.7 | -98.6 | -36.4 | 0 | 0 | 0 | 113.6 | ||||
| 935 | E | 25.5 | Very low | 26.7 | Very low | 181 Ų | 181 | 153.8 Ų | 153.8 | 85% | 0.846 | 79% | 0.79 | S | S | * | * | trans | 60.6 | 104.6 | 158.6 | -71.5 | 177.6 | -175 | 0 | 0 | 120.4 | ||||
| 936 | C | 26.7 | Very low | 26.6 | Very low | 119 Ų | 119 | 149.9 Ų | 149.9 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | -162.4 | 138.5 | 113.4 | -112.8 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 937 | L | 28.1 | Very low | 26.4 | Very low | 138 Ų | 138 | 153.7 Ų | 153.7 | 72% | 0.723 | 80% | 0.803 | S | S | * | * | trans | 27.5 | 129.9 | 146.4 | -61.1 | 172.6 | 0 | 0 | 0 | 122.4 | ||||
| 938 | Q | 25.6 | Very low | 26.6 | Very low | 166 Ų | 166 | 151.7 Ų | 151.7 | 78% | 0.776 | 80% | 0.803 | S | S | * | * | 24.9 | 143.3 | 115.5 | -61.9 | 175.8 | -34 | 0 | 0 | 118.6 | |||||
| 939 | E | 26.8 | Very low | 26.4 | Very low | 156 Ų | 156 | 153.6 Ų | 153.6 | 73% | 0.729 | 81% | 0.808 | S | S | * | * | cis | -162.4 | 153.6 | 21.8 | -154.1 | 177.8 | -162.8 | 0 | 0 | 111.1 | ||||
| 940 | Y | 26 | Very low | 26.7 | Very low | 226 Ų | 226 | 153.3 Ų | 153.3 | 89% | 0.886 | 81% | 0.805 | S | S | * | * | trans | -171.3 | 128.9 | 135.3 | -115.4 | -69.9 | 0 | 0 | 0 | 112.3 | ||||
| 941 | T | 27.6 | Very low | 26.6 | Very low | 112 Ų | 112 | 159 Ų | 159 | 69% | 0.687 | 81% | 0.809 | S | S | * | * | trans | -131.4 | 132.6 | -178 | -60.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 942 | K | 30.8 | Very low | 26.5 | Very low | 174 Ų | 174 | 160 Ų | 160 | 76% | 0.757 | 81% | 0.807 | S | S | * | * | trans | -171.8 | 136.5 | 166.6 | -104.7 | 168.1 | -176.9 | 174.8 | 0 | 107.7 | ||||
| 943 | L | 27.4 | Very low | 26.5 | Very low | 152 Ų | 152 | 157.1 Ų | 157.1 | 80% | 0.796 | 81% | 0.806 | S | S | * | * | cis | -124.9 | 142.4 | -2.8 | -59.7 | 102.1 | 0 | 0 | 0 | 107.4 | ||||
| 944 | I | 28.8 | Very low | 26.3 | Very low | 129 Ų | 129 | 154.9 Ų | 154.9 | 66% | 0.662 | 80% | 0.801 | S | S | * | * | 79.9 | 99.7 | 50 | -60.5 | 174.3 | 0 | 0 | 0 | 113.7 | |||||
| 945 | S | 25.7 | Very low | 26.5 | Very low | 115 Ų | 115 | 153.7 Ų | 153.7 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | trans | 38.8 | 133.6 | 140.3 | -50.8 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 946 | C | 24.8 | Very low | 26.7 | Very low | 130 Ų | 130 | 153 Ų | 153 | 88% | 0.878 | 80% | 0.795 | S | S | * | * | -157.4 | 128.8 | 98 | -139 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 947 | E | 23.4 | Very low | 26.8 | Very low | 190 Ų | 190 | 151.1 Ų | 151.1 | 89% | 0.888 | 79% | 0.788 | S | S | * | * | trans | -97.8 | 156.9 | 160.6 | -70 | -178.3 | 122.3 | 0 | 0 | 109.7 | ||||
| 948 | S | 27.8 | Very low | 26.9 | Very low | 117 Ų | 117 | 149.6 Ų | 149.6 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | trans | -155.4 | 110.5 | 158.7 | 53.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 949 | E | 22.7 | Very low | 27.2 | Very low | 191 Ų | 191 | 148.8 Ų | 148.8 | 89% | 0.893 | 79% | 0.789 | S | S | * | * | trans | -72.4 | 145.7 | 164 | -60.1 | -173.9 | 119 | 0 | 0 | 110.3 | ||||
| 950 | L | 28.7 | Very low | 27.8 | Very low | 151 Ų | 151 | 146.2 Ų | 146.2 | 79% | 0.791 | 79% | 0.785 | S | S | * | * | trans | -156.5 | 88.9 | 160 | -117.1 | 152.4 | 0 | 0 | 0 | 115 | ||||
| 951 | R | 26.2 | Very low | 28 | Very low | 232 Ų | 232 | 142.4 Ų | 142.4 | 88% | 0.875 | 78% | 0.779 | S | S | * | * | trans | 62.7 | 143.3 | 142.8 | -65.1 | -177.1 | 178.4 | -176.7 | -1.6 | 122.1 | ||||
| 952 | M | 22.2 | Very low | 28.4 | Very low | 157 Ų | 157 | 142.8 Ų | 142.8 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | trans | -64 | 155.6 | 158.3 | -58.3 | 166.4 | 60.3 | 0 | 0 | 112.2 | ||||
| 953 | S | 27.8 | Very low | 28.4 | Very low | 122 Ų | 122 | 145 Ų | 145 | 85% | 0.853 | 79% | 0.79 | S | S | * | * | trans | -162 | 135 | 134.2 | -75.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 954 | D | 24 | Very low | 29 | Very low | 140 Ų | 140 | 143.1 Ų | 143.1 | 75% | 0.749 | 79% | 0.787 | S | S | * | * | trans | -72.7 | 163 | 167.8 | -62.6 | -88.4 | 0 | 0 | 0 | 111.8 | ||||
| 955 | V | 30.4 | Very low | 28.9 | Very low | 129 Ų | 129 | 144 Ų | 144 | 78% | 0.782 | 79% | 0.793 | S | S | * | * | trans | -177.4 | 123.6 | 140.8 | 141.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 956 | H | 29.2 | Very low | 29 | Very low | 167 Ų | 167 | 149.4 Ų | 149.4 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | trans | 41 | 116.7 | 152.7 | -65.7 | -103 | 0 | 0 | 0 | 120.7 | ||||
| 957 | A | 28.2 | Very low | 29.1 | Very low | 79 Ų | 79 | 147.6 Ų | 147.6 | 65% | 0.653 | 79% | 0.79 | S | S | * | * | 64.9 | 118.4 | 82.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 958 | S | 30.3 | Very low | 29.4 | Very low | 107 Ų | 107 | 143.3 Ų | 143.3 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | -164.2 | 142.9 | 66.4 | -65.9 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 959 | I | 31.9 | Very low | 29.3 | Very low | 149 Ų | 149 | 145.8 Ų | 145.8 | 76% | 0.764 | 79% | 0.785 | S | S | * | * | 70.3 | 131.5 | 61.8 | -71.2 | 171.9 | 0 | 0 | 0 | 112.5 | |||||
| 960 | P | 40.4 | Very low | 29.7 | Very low | 101 Ų | 101 | 143.1 Ų | 143.1 | 66% | 0.656 | 78% | 0.775 | S | S | * | * | cis | -150 | -163.4 | -20.4 | 43 | -22.1 | 0 | 0 | 0 | 116.2 | ||||
| 961 | L | 30 | Very low | 29.9 | Very low | 147 Ų | 147 | 143 Ų | 143 | 77% | 0.77 | 77% | 0.774 | S | S | * | * | trans | 73.3 | 147.4 | 158.8 | -67.4 | 166.5 | 0 | 0 | 0 | 117.8 | ||||
| 962 | S | 36.5 | Very low | 30.1 | Very low | 119 Ų | 119 | 137.3 Ų | 137.3 | 83% | 0.832 | 77% | 0.765 | S | S | * | * | cis | -114.3 | -164.2 | 19.9 | 66.3 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 963 | R | 30.4 | Very low | 30.7 | Very low | 220 Ų | 220 | 139.9 Ų | 139.9 | 83% | 0.83 | 77% | 0.772 | S | S | * | * | trans | -156.8 | 178 | -152.5 | -107.6 | -174.2 | 179.7 | -175.8 | 2.1 | 109.5 | ||||
| 964 | P | 40.1 | Very low | 31 | Very low | 114 Ų | 114 | 143.3 Ų | 143.3 | 74% | 0.74 | 77% | 0.772 | S | S | * | * | cis | -140.1 | -171.7 | -22.3 | 38.7 | -18.7 | 0 | 0 | 0 | 115.6 | ||||
| 965 | L | 27.1 | Very low | 31.8 | Very low | 148 Ų | 148 | 142.4 Ų | 142.4 | 78% | 0.775 | 77% | 0.773 | S | S | * | * | trans | -50.1 | 164.2 | 168.5 | -58.3 | 159.8 | 0 | 0 | 0 | 119.7 | ||||
| 966 | R | 26.7 | Very low | 32.3 | Very low | 227 Ų | 227 | 141.9 Ų | 141.9 | 86% | 0.857 | 77% | 0.773 | S | S | * | * | trans | 81.5 | 106.2 | 137.7 | -91.6 | 177.6 | 174 | 162 | -1.7 | 122.4 | ||||
| 967 | A | 27 | Very low | 32.3 | Very low | 92 Ų | 92 | 139.6 Ų | 139.6 | 76% | 0.76 | 77% | 0.774 | S | S | * | * | 67.5 | 145.3 | 111.2 | 0 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 968 | A | 29.4 | Very low | 32.4 | Very low | 100 Ų | 100 | 140.2 Ų | 140.2 | 83% | 0.826 | 77% | 0.774 | S | S | * | * | trans | 76.8 | 157.6 | 158.7 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 969 | H | 27.4 | Very low | 32.5 | Very low | 169 Ų | 169 | 140.8 Ų | 140.8 | 78% | 0.782 | 77% | 0.768 | S | S | * | * | cis | -170.4 | 155.1 | -43.3 | -150.7 | 40.5 | 0 | 0 | 0 | 110.6 | ||||
| 970 | I | 30.7 | Very low | 32.7 | Very low | 135 Ų | 135 | 141.4 Ų | 141.4 | 69% | 0.692 | 77% | 0.765 | S | S | * | * | trans | 70.6 | 154 | 168.4 | -34.1 | 155.2 | 0 | 0 | 0 | 111.2 | T972 | I970-T972 HydrophobicContact CG2-CG2 4.26Š| ||
| 971 | I | 31.8 | Very low | 32.1 | Very low | 149 Ų | 149 | 143.7 Ų | 143.7 | 76% | 0.764 | 77% | 0.772 | S | S | * | * | cis | -144.7 | 114.5 | 49.1 | -74 | 167.9 | 0 | 0 | 0 | 113.9 | ||||
| 972 | T | 31.6 | Very low | 32 | Very low | 112 Ų | 112 | 143.7 Ų | 143.7 | 69% | 0.687 | 77% | 0.772 | S | S | * | * | trans | 32.7 | 141.8 | 141.6 | 74.4 | 0 | 0 | 0 | 0 | 124 | I970 | I970-T972 HydrophobicContact CG2-CG2 4.26Š| ||
| 973 | K | 34.2 | Very low | 31.6 | Very low | 212 Ų | 212 | 141.1 Ų | 141.1 | 92% | 0.922 | 76% | 0.764 | S | S | * | * | -146.6 | 137.4 | 113.9 | -110.5 | 173.8 | -175.8 | 178.2 | 0 | 112.1 | |||||
| 974 | K | 33.6 | Very low | 31.5 | Very low | 193 Ų | 193 | 137.4 Ų | 137.4 | 84% | 0.839 | 76% | 0.759 | S | S | * | * | trans | -125.8 | 161 | 166.2 | -108.7 | -172.6 | 178.3 | -175.3 | 0 | 106 | ||||
| 975 | P | 40.2 | Very low | 31.1 | Very low | 121 Ų | 121 | 138.8 Ų | 138.8 | 79% | 0.786 | 76% | 0.756 | S | S | * | * | -148.2 | -151.1 | 94.2 | 47 | -27.4 | 0 | 0 | 0 | 111.6 | |||||
| 976 | P | 42.8 | Very low | 31.4 | Very low | 118 Ų | 118 | 138.5 Ų | 138.5 | 77% | 0.766 | 75% | 0.748 | S | S | * | * | -139.5 | -147.7 | -120.2 | 40.6 | -14 | 0 | 0 | 0 | 115.6 | |||||
| 977 | C | 27.7 | Very low | 31.9 | Very low | 120 Ų | 120 | 134.1 Ų | 134.1 | 81% | 0.811 | 74% | 0.74 | S | S | * | * | trans | -53.2 | 174.5 | 176 | -45.3 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 978 | S | 29.8 | Very low | 32.2 | Very low | 92 Ų | 92 | 139 Ų | 139 | 64% | 0.643 | 75% | 0.745 | S | S | * | * | cis | -163.3 | -178.1 | 30.2 | 51.8 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 979 | D | 33.1 | Very low | 32.4 | Very low | 118 Ų | 118 | 137 Ų | 137 | 63% | 0.631 | 73% | 0.733 | S | S | * | * | trans | 69.1 | 154.7 | 155.4 | -68.8 | -23 | 0 | 0 | 0 | 118.6 | ||||
| 980 | K | 36.6 | Very low | 32.9 | Very low | 162 Ų | 162 | 135.7 Ų | 135.7 | 70% | 0.704 | 74% | 0.737 | S | S | * | * | cis | -144.6 | 133.6 | -14.1 | -103.3 | 147.1 | -172.6 | 135.4 | 0 | 105.8 | ||||
| 981 | L | 28.5 | Very low | 33.3 | Very low | 150 Ų | 150 | 139.2 Ų | 139.2 | 79% | 0.785 | 74% | 0.742 | S | S | * | * | 50.8 | 114.9 | 87.1 | -85.1 | 173.8 | 0 | 0 | 0 | 116.3 | |||||
| 982 | L | 28 | Very low | 33.6 | Very low | 147 Ų | 147 | 138 Ų | 138 | 77% | 0.77 | 74% | 0.737 | S | S | * | * | trans | 63.2 | 137.6 | 155.6 | -61.5 | 158.8 | 0 | 0 | 0 | 117.2 | I984 | L982-I984 HydrophobicContact CD2-CD1 4.34Š| ||
| 983 | G | 26.9 | Very low | 33.8 | Very low | 65 Ų | 65 | 137.5 Ų | 137.5 | 67% | 0.67 | 73% | 0.73 | S | S | * | * | cis | 123.7 | 179.2 | 6.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 984 | I | 27.7 | Very low | 33.8 | Very low | 141 Ų | 141 | 135.7 Ų | 135.7 | 72% | 0.723 | 73% | 0.725 | S | S | * | * | trans | 72.2 | 125.4 | 167.2 | -57.1 | 174.7 | 0 | 0 | 0 | 111 | L982 | L982-I984 HydrophobicContact CD2-CD1 4.34Š| ||
| 985 | E | 31.9 | Very low | 34 | Very low | 144 Ų | 144 | 131.9 Ų | 131.9 | 67% | 0.673 | 72% | 0.723 | S | S | * | * | -171 | 173.9 | 52.2 | -133.2 | 169.8 | -161.5 | 0 | 0 | 109.7 | |||||
| 986 | K | 34.8 | Very low | 33.8 | Very low | 142 Ų | 142 | 132.4 Ų | 132.4 | 62% | 0.617 | 72% | 0.723 | S | S | * | * | cis | -159.5 | 176.4 | 4.8 | -151.8 | 156.1 | -148.5 | 149.8 | 0 | 110 | ||||
| 987 | I | 35.3 | Very low | 33.8 | Very low | 135 Ų | 135 | 131.5 Ų | 131.5 | 69% | 0.692 | 72% | 0.717 | S | S | * | * | trans | 68.2 | 106.3 | 163 | -62.4 | 150.5 | 0 | 0 | 0 | 115 | ||||
| 988 | F | 34.6 | Very low | 33.9 | Very low | 194 Ų | 194 | 133.7 Ų | 133.7 | 85% | 0.851 | 72% | 0.716 | S | S | * | * | cis | -160.4 | 171.4 | -8.4 | -94.1 | -43.7 | 0 | 0 | 0 | 107.4 | ||||
| 989 | G | 33.4 | Very low | 34.1 | Very low | 57 Ų | 57 | 135.9 Ų | 135.9 | 59% | 0.588 | 73% | 0.729 | S | S | * | * | cis | 150 | 165.9 | -0.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 990 | V | 37.3 | Very low | 34.1 | Very low | 143 Ų | 143 | 136.6 Ų | 136.6 | 87% | 0.867 | 73% | 0.733 | S | S | * | * | trans | 69.3 | 124.5 | 173.3 | -175.4 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 991 | R | 39.7 | Very low | 34.1 | Very low | 209 Ų | 209 | 133.4 Ų | 133.4 | 79% | 0.789 | 73% | 0.731 | S | S | * | * | cis | -163.9 | 147.6 | -10.8 | -114.7 | -169.6 | 174.4 | 170.6 | -2.1 | 110 | ||||
| 992 | N | 37.4 | Very low | 34.6 | Very low | 123 Ų | 123 | 137 Ų | 137 | 66% | 0.658 | 74% | 0.735 | S | S | * | * | trans | 49.2 | 152.6 | 136.2 | -62.9 | 35.1 | 0 | 0 | 0 | 121.7 | ||||
| 993 | N | 35.4 | Very low | 35.1 | Very low | 102 Ų | 102 | 141.4 Ų | 141.4 | 55% | 0.545 | 74% | 0.741 | S | S | . | * | cis | -165.3 | 158.1 | -5.2 | -114.2 | 25.6 | 0 | 0 | 0 | 110.7 | ||||
| 994 | E | 35 | Very low | 35.8 | Very low | 173 Ų | 173 | 143.2 Ų | 143.2 | 81% | 0.808 | 74% | 0.743 | S | S | * | * | trans | 58.3 | 153.8 | 144.6 | -73.6 | 152.3 | 166.2 | 0 | 0 | 120.8 | ||||
| 995 | S | 37.8 | Very low | 36.5 | Very low | 114 Ų | 114 | 143.4 Ų | 143.4 | 80% | 0.797 | 75% | 0.746 | S | S | * | * | cis | -151.7 | -158.4 | -2.7 | 54.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 996 | V | 35.3 | Very low | 37.2 | Very low | 131 Ų | 131 | 147.8 Ų | 147.8 | 79% | 0.794 | 77% | 0.774 | S | S | * | * | trans | -157 | 162.7 | -152.2 | 163.8 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 997 | P | 43.3 | Very low | 37.3 | Very low | 99 Ų | 99 | 148.1 Ų | 148.1 | 64% | 0.643 | 78% | 0.782 | S | S | * | * | cis | -132.9 | -170.8 | -9.3 | 36.2 | -14.6 | 0 | 0 | 0 | 116.4 | ||||
| 998 | E | 29.9 | Very low | 37.4 | Very low | 167 Ų | 167 | 148.8 Ų | 148.8 | 78% | 0.78 | 79% | 0.786 | S | S | * | * | trans | 49 | 130.1 | 138.2 | -77.8 | 177 | 159 | 0 | 0 | 124.7 | ||||
| 999 | C | 33.7 | Very low | 37.5 | Very low | 138 Ų | 138 | 146.3 Ų | 146.3 | 93% | 0.932 | 78% | 0.783 | S | S | * | * | -151.1 | 165.3 | 123.5 | -135.5 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 1000 | N | 33.5 | Very low | 37.8 | Very low | 133 Ų | 133 | 151.5 Ų | 151.5 | 71% | 0.711 | 79% | 0.794 | S | S | * | * | trans | -118.4 | 151 | -159.8 | -104.6 | -60.9 | 0 | 0 | 0 | 115.9 | ||||
| 1001 | S | 37.1 | Very low | 37.8 | Very low | 95 Ų | 95 | 152.1 Ų | 152.1 | 66% | 0.664 | 79% | 0.79 | S | S | * | * | trans | 108.9 | 150.9 | 135 | 89.2 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 1002 | R | 38 | Very low | 37.7 | Very low | 226 Ų | 226 | 148.3 Ų | 148.3 | 85% | 0.853 | 79% | 0.79 | S | S | * | * | trans | 75 | 90.1 | 149.4 | -71.2 | 168 | -174.6 | -153.5 | 1.4 | 121.5 | ||||
| 1003 | R | 39.6 | Very low | 37.7 | Very low | 238 Ų | 238 | 150.1 Ų | 150.1 | 90% | 0.898 | 80% | 0.799 | S | S | * | * | 46.6 | 133 | 115.3 | -80.5 | -172.2 | 173.8 | -177.4 | -1.6 | 121.5 | |||||
| 1004 | S | 40.3 | Very low | 37.9 | Very low | 103 Ų | 103 | 153.8 Ų | 153.8 | 72% | 0.72 | 82% | 0.819 | S | S | * | * | 102.8 | 131.8 | 128.4 | 66.7 | 0 | 0 | 0 | 0 | 121 | |||||
| 1005 | N | 43.4 | Very low | 38.1 | Very low | 145 Ų | 145 | 152.2 Ų | 152.2 | 78% | 0.775 | 82% | 0.82 | S | S | * | * | trans | 57.6 | 94.4 | 154.9 | -56.5 | 8.5 | 0 | 0 | 0 | 118.9 | ||||
| 1006 | N | 45.4 | Very low | 38.1 | Very low | 237 Ų | 237 | 155.6 Ų | 155.6 | 100% | 1.267 | 82% | 0.822 | S | S | * | * | -155.2 | 0 | 87.2 | -88.1 | -22.6 | 0 | 0 | 0 | 110.6 |
Retrieved 1,006 of 1,006 residues in 611.1 ms
(Link to these results)