| 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 | 40.2 | Very low | 65.3 | Low | 150 Ų | 150 | 98.3 Ų | 98.3 | 74% | 0.739 | 55% | 0.553 | S | S | * | * | 0 | 146.1 | 0 | -64.7 | 173.1 | -179.5 | 0 | 0 | 108.2 | L148 | M1-L148 HydrophobicContact CE-CD1 3.84Š| |||
| 2 | M | 29.4 | Very low | 67.8 | Low | 185 Ų | 185 | 90.9 Ų | 90.9 | 91% | 0.911 | 51% | 0.511 | S | S | * | . | P | Polyproline II helix | trans | -76.4 | 126.5 | 156.2 | -75.9 | -177.1 | 170.7 | 0 | 0 | 107.2 | S4 | M2-S4 PolarHBondContact O-N 3.13Š|
| 3 | C | 36.8 | Very low | 70 | Confident | 103 Ų | 103 | 90.3 Ų | 90.3 | 70% | 0.696 | 50% | 0.496 | S | S | * | . | P | Polyproline II helix | trans | -67.1 | 120.4 | 179.6 | -62.6 | 0 | 0 | 0 | 0 | 109.8 | ||
| 4 | S | 42.3 | Very low | 72 | Confident | 58 Ų | 58 | 89.3 Ų | 89.3 | 41% | 0.406 | 49% | 0.486 | S | S | . | . | P | Polyproline II helix | trans | -53.3 | 138.6 | 152.5 | 177 | 0 | 0 | 0 | 0 | 107.7 | M2 T6 | M2-S4 PolarHBondContact O-N 3.13Å; S4-T6 PolarHBondContact O-N 3.49Å |
| 5 | P | 49.5 | Very low | 73.7 | Confident | 121 Ų | 121 | 85.1 Ų | 85.1 | 79% | 0.786 | 46% | 0.463 | S | S | * | . | P | Polyproline II helix | trans | -55.6 | 116.4 | 179.4 | 22.2 | -33.2 | 0 | 0 | 0 | 109.6 | ||
| 6 | T | 69.8 | Low | 75.3 | Confident | 76 Ų | 76 | 79.8 Ų | 79.8 | 47% | 0.466 | 43% | 0.434 | S | S | . | . | P | Polyproline II helix | trans | -69.6 | 143.5 | 167 | 43.3 | 0 | 0 | 0 | 0 | 108.3 | S4 S8 Q584 | S4-T6 PolarHBondContact O-N 3.49Å; T6-S8 PolarHBondContact O-N 3.19Å; T6-Q584 HydrophobicContact CG2-CB 4.2Å; T6-Q584 HydrophobicContact CG2-CG 4.13Å |
| 7 | L | 83.9 | Confident | 76.7 | Confident | 62 Ų | 62 | 82.6 Ų | 82.6 | 33% | 0.325 | 44% | 0.437 | S | S | . | . | P | Polyproline II helix | trans | -56.8 | 134.2 | 176.7 | -64.8 | 179 | 0 | 0 | 0 | 109.6 | Q11 Q12 L15 F96 | L7-Q11 HydrophobicContact CB-CB 3.95Å; L7-Q11 HydrophobicContact CD2-CB 4.22Å; L7-Q12 HydrophobicContact CB-CG 3.7Å; L7-Q12 PolarHBondContact O-NE2 2.86Å; L7-L15 HydrophobicContact CD1-CD2 3.68Å; L7-F96 HydrophobicContact CD1-CE1 4.09Å |
| 8 | S | 89.8 | Confident | 77.9 | Confident | 49 Ų | 49 | 81.1 Ų | 81.1 | 34% | 0.343 | 43% | 0.429 | S | S | . | . | P | Polyproline II helix | trans | -59.6 | 161.5 | 174.4 | 83 | 0 | 0 | 0 | 0 | 110.9 | T6 E10 Q11 Q12 | T6-S8 PolarHBondContact O-N 3.19Å; S8-E10 PolarHBondContact O-N 3.23Å; S8-E10 VanDerWaalsContact O-N 3.11Å; S8-E10 PolarHBondContact OG-N 3.48Å; S8-Q11 PolarHBondContact O-N 3.06Å; S8-Q11 WeakPolarHBondContact OG-CG 3.44Å; S8-Q11 PolarHBondContact OG-N 3.4Å; S8-Q11 VanDerWaalsContact OG-N 3.12Å; S8-Q12 WeakPolarHBondContact O-CG 3.31Å; S8-Q12 PolarHBondContact O-N 2.89Å |
| 9 | A | 88.9 | Confident | 79 | Confident | 34 Ų | 34 | 76.8 Ų | 76.8 | 28% | 0.281 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -55 | -32.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | R13 Q577 | A9-R13 VanDerWaalsContact O-CG 3.31Å; A9-R13 WeakPolarHBondContact O-CG 3.42Å; A9-R13 PolarHBondContact O-N 2.94Å; A9-R13 VanDerWaalsContact O-N 3.17Å; A9-R13 PolarHBondContact O-NE 2.78Å; A9-Q577 VanDerWaalsContact CA-OE1 3.24Å; A9-Q577 VanDerWaalsContact CB-OE1 3.31Å |
| 10 | E | 92.9 | Very high | 79.9 | Confident | 138 Ų | 138 | 73.1 Ų | 73.1 | 65% | 0.645 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -75.2 | -45 | 176.1 | -67.2 | 154.8 | -177.7 | 0 | 0 | 111.6 | S8 Q12 R13 E14 | S8-E10 PolarHBondContact O-N 3.23Å; S8-E10 VanDerWaalsContact O-N 3.11Å; S8-E10 PolarHBondContact OG-N 3.48Å; E10-Q12 VanDerWaalsContact C-N 3.28Å; E10-Q12 PolarHBondContact O-N 3.17Å; E10-R13 PolarHBondContact O-N 3.12Å; E10-E14 VanDerWaalsContact O-CB 3.25Å; E10-E14 WeakPolarHBondContact O-CB 3.45Å; E10-E14 PolarHBondContact O-N 3Å |
| 11 | Q | 94.7 | Very high | 80.8 | Confident | 105 Ų | 105 | 77.5 Ų | 77.5 | 49% | 0.491 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -61.9 | -35.6 | 175.6 | -71 | 171.2 | -22.3 | 0 | 0 | 112.2 | L7 S8 L15 | L7-Q11 HydrophobicContact CB-CB 3.95Å; L7-Q11 HydrophobicContact CD2-CB 4.22Å; S8-Q11 PolarHBondContact O-N 3.06Å; S8-Q11 WeakPolarHBondContact OG-CG 3.44Å; S8-Q11 PolarHBondContact OG-N 3.4Å; S8-Q11 VanDerWaalsContact OG-N 3.12Å; Q11-L15 WeakPolarHBondContact O-CB 3.2Å; Q11-L15 PolarHBondContact O-N 3.09Å |
| 12 | Q | 95.1 | Very high | 83.6 | Confident | 10 Ų | 10 | 70.9 Ų | 70.9 | 5% | 0.047 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -66.3 | -47.9 | 173 | -71.5 | -178.9 | 49.1 | 0 | 0 | 111.7 | L7 S8 E10 E14 L15 A16 L570 L574 | L7-Q12 HydrophobicContact CB-CG 3.7Å; L7-Q12 PolarHBondContact O-NE2 2.86Å; S8-Q12 WeakPolarHBondContact O-CG 3.31Å; S8-Q12 PolarHBondContact O-N 2.89Å; E10-Q12 VanDerWaalsContact C-N 3.28Å; E10-Q12 PolarHBondContact O-N 3.17Å; Q12-E14 VanDerWaalsContact C-N 3.33Å; Q12-E14 PolarHBondContact O-N 3.12Å; Q12-L15 PolarHBondContact O-N 3.39Å; Q12-A16 PolarHBondContact O-N 3.11Å; Q12-L570 HydrophobicContact CB-CD1 3.84Å; Q12-L570 HydrophobicContact CG-CD1 4.01Å; Q12-L574 HydrophobicContact CB-CD2 3.81Å; Q12-L574 HydrophobicContact CB-CG 4.45Å |
| 13 | R | 97.1 | Very high | 86.9 | Confident | 83 Ų | 83 | 62.5 Ų | 62.5 | 31% | 0.313 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -61.4 | -40.5 | 177 | -77.9 | -171.5 | -65.3 | -110.5 | 3.6 | 112.6 | A9 E10 A16 R17 W445 L574 | A9-R13 VanDerWaalsContact O-CG 3.31Å; A9-R13 WeakPolarHBondContact O-CG 3.42Å; A9-R13 PolarHBondContact O-N 2.94Å; A9-R13 VanDerWaalsContact O-N 3.17Å; A9-R13 PolarHBondContact O-NE 2.78Å; E10-R13 PolarHBondContact O-N 3.12Å; R13-A16 PolarHBondContact O-N 3.37Å; R13-R17 PolarHBondContact O-N 2.97Å; R13-R17 VanDerWaalsContact O-N 3.09Å; R13-W445 HydrophobicContact CB-CD2 4.18Å; R13-W445 HydrophobicContact CB-CH2 4.44Å; R13-W445 HydrophobicContact CB-CZ2 3.69Å; R13-W445 HydrophobicContact CG-CD2 3.63Å; R13-W445 HydrophobicContact CG-CE3 4.17Å; R13-W445 HydrophobicContact CG-CG 3.9Å; R13-W445 HydrophobicContact CG-CZ2 4.02Å; R13-W445 PolarHBondContact O-NE1 3.24Å; R13-W445 VanDerWaalsContact O-NE1 3.15Å; R13-L574 HydrophobicContact CG-CD2 4.07Å |
| 14 | E | 97.9 | Very high | 89.8 | Confident | 76 Ų | 76 | 60 Ų | 60 | 36% | 0.355 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -70.7 | -40.6 | 178 | 178 | 56.8 | -165.3 | 0 | 0 | 112.2 | E10 Q12 A16 R17 N18 | E10-E14 VanDerWaalsContact O-CB 3.25Å; E10-E14 WeakPolarHBondContact O-CB 3.45Å; E10-E14 PolarHBondContact O-N 3Å; Q12-E14 VanDerWaalsContact C-N 3.33Å; Q12-E14 PolarHBondContact O-N 3.12Å; E14-A16 VanDerWaalsContact C-N 3.3Å; E14-A16 PolarHBondContact O-N 3.23Å; E14-R17 PolarHBondContact O-N 3.18Å; E14-R17 IonicContact OE1-CZ 3.63Å; E14-R17 IonicContact OE1-NE 3.76Å; E14-R17 IonicContact OE1-NH2 2.73Å; E14-R17 PolarHBondContact OE1-NH2 2.84Å; E14-R17 IonicContact OE2-CZ 3.25Å; E14-R17 VanDerWaalsContact OE2-CZ 3.25Å; E14-R17 IonicContact OE2-NE 2.75Å; E14-R17 PolarHBondContact OE2-NE 2.77Å; E14-R17 IonicContact OE2-NH2 2.92Å; E14-R17 PolarHBondContact OE2-NH2 3.45Å; E14-N18 VanDerWaalsContact CD-ND2 3.3Å; E14-N18 PolarHBondContact O-N 3.15Å; E14-N18 PolarHBondContact O-ND2 3.23Å; E14-N18 PolarHBondContact OE1-ND2 3.21Å |
| 15 | L | 98 | Very high | 92.4 | Very high | 26 Ų | 26 | 60.2 Ų | 60.2 | 14% | 0.136 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.5 | -42.1 | 172.7 | -179.2 | 60 | 0 | 0 | 0 | 110.9 | L7 Q11 Q12 R17 N18 L19 L94 F96 L570 | L7-L15 HydrophobicContact CD1-CD2 3.68Å; Q11-L15 WeakPolarHBondContact O-CB 3.2Å; Q11-L15 PolarHBondContact O-N 3.09Å; Q12-L15 PolarHBondContact O-N 3.39Å; L15-R17 PolarHBondContact O-N 2.92Å; L15-N18 PolarHBondContact O-N 3.44Å; L15-L19 HydrophobicContact CD1-CD1 4.23Å; L15-L19 HydrophobicContact CD1-CG 4.29Å; L15-L19 HydrophobicContact CG-CD1 3.88Å; L15-L19 HydrophobicContact CG-CG 4.41Å; L15-L19 WeakPolarHBondContact O-CB 3.37Å; L15-L19 WeakPolarHBondContact O-CD1 3.25Å; L15-L19 WeakPolarHBondContact O-CG 3.46Å; L15-L19 PolarHBondContact O-N 3.38Å; L15-L94 HydrophobicContact CD1-CB 4.37Å; L15-L94 HydrophobicContact CD1-CD2 3.91Å; L15-F96 HydrophobicContact CD2-CE1 4.17Å; L15-F96 HydrophobicContact CD2-CZ 4.24Å; L15-L570 HydrophobicContact CB-CD2 3.93Å; L15-L570 HydrophobicContact CD2-CD2 3.99Å; L15-L570 HydrophobicContact CG-CD2 3.77Å |
| 16 | A | 98.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.9 | -45.5 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q12 R13 E14 N18 L19 T20 V446 L449 L570 L574 | Q12-A16 PolarHBondContact O-N 3.11Å; R13-A16 PolarHBondContact O-N 3.37Å; E14-A16 VanDerWaalsContact C-N 3.3Å; E14-A16 PolarHBondContact O-N 3.23Å; A16-N18 VanDerWaalsContact C-N 3.34Å; A16-N18 PolarHBondContact O-N 3.09Å; A16-L19 PolarHBondContact O-N 2.98Å; A16-T20 PolarHBondContact O-N 3.16Å; A16-V446 HydrophobicContact CB-CG2 4.18Å; A16-L449 HydrophobicContact CB-CD1 3.77Å; A16-L570 HydrophobicContact CB-CD2 3.71Å; A16-L570 HydrophobicContact CB-CG 4.39Å; A16-L574 HydrophobicContact CB-CD1 4.01Å |
| 17 | R | 98.6 | Very high | 96.1 | Very high | 128 Ų | 128 | 57 Ų | 57 | 48% | 0.483 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -58.3 | -43.5 | 176.7 | -172.8 | 176.5 | 73.5 | 102.8 | 0.7 | 112.3 | R13 E14 L15 T20 Y21 L449 | R13-R17 PolarHBondContact O-N 2.97Å; R13-R17 VanDerWaalsContact O-N 3.09Å; E14-R17 PolarHBondContact O-N 3.18Å; E14-R17 IonicContact OE1-CZ 3.63Å; E14-R17 IonicContact OE1-NE 3.76Å; E14-R17 IonicContact OE1-NH2 2.73Å; E14-R17 PolarHBondContact OE1-NH2 2.84Å; E14-R17 IonicContact OE2-CZ 3.25Å; E14-R17 VanDerWaalsContact OE2-CZ 3.25Å; E14-R17 IonicContact OE2-NE 2.75Å; E14-R17 PolarHBondContact OE2-NE 2.77Å; E14-R17 IonicContact OE2-NH2 2.92Å; E14-R17 PolarHBondContact OE2-NH2 3.45Å; L15-R17 PolarHBondContact O-N 2.92Å; R17-T20 PolarHBondContact O-OG1 2.73Å; R17-Y21 WeakPolarHBondContact O-CB 3.29Å; R17-Y21 PolarHBondContact O-N 2.75Å; R17-L449 HydrophobicContact CB-CD2 4.22Å; R17-L449 HydrophobicContact CG-CD2 4.34Å |
| 18 | N | 98.6 | Very high | 96.7 | Very high | 55 Ų | 55 | 57.9 Ų | 57.9 | 29% | 0.294 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -72.4 | -34 | 178.4 | -70.5 | -61.4 | 0 | 0 | 0 | 112.6 | E14 L15 A16 F22 L94 | E14-N18 VanDerWaalsContact CD-ND2 3.3Å; E14-N18 PolarHBondContact O-N 3.15Å; E14-N18 PolarHBondContact O-ND2 3.23Å; E14-N18 PolarHBondContact OE1-ND2 3.21Å; L15-N18 PolarHBondContact O-N 3.44Å; A16-N18 VanDerWaalsContact C-N 3.34Å; A16-N18 PolarHBondContact O-N 3.09Å; N18-F22 WeakPolarHBondContact O-CB 2.86Å; N18-F22 PolarHBondContact O-N 3.15Å; N18-L94 HydrophobicContact CB-CD1 4.49Å; N18-L94 HydrophobicContact CB-CD2 3.68Å |
| 19 | L | 98.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64 | -50 | 174 | -76.5 | 165 | 0 | 0 | 0 | 112.3 | L15 A16 Y21 F22 L23 L94 V563 T566 L567 L570 | L15-L19 HydrophobicContact CD1-CD1 4.23Å; L15-L19 HydrophobicContact CD1-CG 4.29Å; L15-L19 HydrophobicContact CG-CD1 3.88Å; L15-L19 HydrophobicContact CG-CG 4.41Å; L15-L19 WeakPolarHBondContact O-CB 3.37Å; L15-L19 WeakPolarHBondContact O-CD1 3.25Å; L15-L19 WeakPolarHBondContact O-CG 3.46Å; L15-L19 PolarHBondContact O-N 3.38Å; A16-L19 PolarHBondContact O-N 2.98Å; L19-Y21 PolarHBondContact O-N 2.96Å; L19-F22 PolarHBondContact O-N 3.32Å; L19-L23 WeakPolarHBondContact O-CB 3.45Å; L19-L23 WeakPolarHBondContact O-CG 3.45Å; L19-L23 PolarHBondContact O-N 2.82Å; L19-L94 HydrophobicContact CD2-CB 3.78Å; L19-L94 HydrophobicContact CD2-CD1 4.33Å; L19-L94 HydrophobicContact CG-CB 4.42Å; L19-V563 HydrophobicContact CD2-CG1 3.42Å; L19-V563 VanDerWaalsContact CD2-CG1 3.42Å; L19-T566 HydrophobicContact CD1-CG2 3.83Å; L19-T566 HydrophobicContact CD2-CG2 4.33Å; L19-L567 HydrophobicContact CB-CB 4.34Å; L19-L567 HydrophobicContact CB-CD1 4.08Å; L19-L567 HydrophobicContact CD1-CB 4.17Å; L19-L567 HydrophobicContact CD1-CD1 4.27Å; L19-L570 HydrophobicContact CD1-CD2 3.68Å |
| 20 | T | 98.5 | Very high | 97.4 | Very high | 3 Ų | 3 | 54.5 Ų | 54.5 | 2% | 0.018 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -66.1 | -39.6 | -179.8 | 66.4 | 0 | 0 | 0 | 0 | 111.7 | A16 R17 S24 L449 P450 H452 L567 | A16-T20 PolarHBondContact O-N 3.16Å; R17-T20 PolarHBondContact O-OG1 2.73Å; T20-S24 VanDerWaalsContact O-CB 3.23Å; T20-S24 WeakPolarHBondContact O-CB 3.19Å; T20-S24 PolarHBondContact O-N 3.41Å; T20-S24 PolarHBondContact O-OG 3.47Å; T20-L449 HydrophobicContact CG2-CB 4.09Å; T20-L449 HydrophobicContact CG2-CD1 3.86Å; T20-P450 PolarHBondContact OG1-O 3.24Å; T20-H452 HydrophobicContact CG2-CB 3.93Å; T20-L567 HydrophobicContact CG2-CD1 4.16Å; T20-L567 HydrophobicContact CG2-CD2 3.95Å |
| 21 | Y | 98.5 | Very high | 97.6 | Very high | 165 Ų | 165 | 50 Ų | 50 | 65% | 0.647 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -61.4 | -47.9 | 174.9 | 178.6 | -97.1 | 0 | 0 | 0 | 112.4 | R17 L19 S24 T25 | R17-Y21 WeakPolarHBondContact O-CB 3.29Å; R17-Y21 PolarHBondContact O-N 2.75Å; L19-Y21 PolarHBondContact O-N 2.96Å; Y21-S24 PolarHBondContact O-N 3.26Å; Y21-T25 WeakPolarHBondContact O-CB 3.43Å; Y21-T25 PolarHBondContact O-N 3.41Å; Y21-T25 PolarHBondContact O-OG1 3.44Å |
| 22 | F | 98.6 | Very high | 97.7 | Very high | 11 Ų | 11 | 45.6 Ų | 45.6 | 5% | 0.048 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -67.4 | -45 | -178.7 | -177.7 | -108.6 | 0 | 0 | 0 | 112.1 | N18 L19 S24 T25 Y26 F87 T90 A91 L94 L560 V563 | N18-F22 WeakPolarHBondContact O-CB 2.86Å; N18-F22 PolarHBondContact O-N 3.15Å; L19-F22 PolarHBondContact O-N 3.32Å; F22-S24 VanDerWaalsContact C-N 3.33Å; F22-S24 PolarHBondContact O-N 3.02Å; F22-T25 PolarHBondContact O-N 2.89Å; F22-Y26 AromaticContact CD2-CD2 3.72Å; F22-Y26 HydrophobicContact CD2-CD2 3.72Å; F22-Y26 AromaticContact CD2-CE2 3.68Å; F22-Y26 HydrophobicContact CD2-CE2 3.68Å; F22-Y26 AromaticContact CE2-CD2 3.5Å; F22-Y26 HydrophobicContact CE2-CD2 3.5Å; F22-Y26 AromaticContact CE2-CE2 3.36Å; F22-Y26 HydrophobicContact CE2-CE2 3.36Å; F22-Y26 HydrophobicContact CG-CD2 4.36Å; F22-Y26 AromaticContact CZ-CD2 3.98Å; F22-Y26 HydrophobicContact CZ-CD2 3.98Å; F22-Y26 HydrophobicContact CZ-CE2 4.19Å; F22-Y26 WeakPolarHBondContact O-CD2 3.15Å; F22-Y26 PolarHBondContact O-N 3.01Å; F22-Y26 VanDerWaalsContact O-N 3.11Å; F22-F87 HydrophobicContact CE2-CD2 4.04Å; F22-F87 AromaticContact CZ-CD2 3.68Å; F22-F87 HydrophobicContact CZ-CD2 3.68Å; F22-F87 HydrophobicContact CZ-CE2 4.05Å; F22-F87 HydrophobicContact CZ-CG 4.45Å; F22-F87 WeakPolarHBondContact CZ-O 3.4Å; F22-T90 HydrophobicContact CB-CG2 4.42Å; F22-T90 HydrophobicContact CD1-CG2 4.27Å; F22-T90 HydrophobicContact CD2-CG2 3.38Å; F22-T90 HydrophobicContact CE1-CG2 4.4Å; F22-T90 HydrophobicContact CE2-CG2 3.54Å; F22-T90 HydrophobicContact CG-CG2 3.78Å; F22-T90 HydrophobicContact CZ-CG2 4.07Å; F22-A91 HydrophobicContact CE1-CB 3.93Å; F22-A91 HydrophobicContact CZ-CB 3.98Å; F22-L94 HydrophobicContact CB-CD1 3.71Å; F22-L94 HydrophobicContact CD1-CD1 3.98Å; F22-L94 HydrophobicContact CG-CD1 3.92Å; F22-L560 HydrophobicContact CD1-CD2 4.25Å; F22-L560 HydrophobicContact CE1-CD2 3.45Å; F22-L560 VanDerWaalsContact CE1-CD2 3.45Å; F22-L560 HydrophobicContact CZ-CD2 4.07Å; F22-V563 HydrophobicContact CD1-CG1 4.03Å; F22-V563 HydrophobicContact CE1-CG1 4.46Å; F22-V563 HydrophobicContact CE1-CG2 4.38Å |
| 23 | L | 98.4 | Very high | 97.8 | Very high | 10 Ų | 10 | 47.4 Ų | 47.4 | 5% | 0.052 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64 | -36.9 | 175.4 | -70.8 | 172.8 | 0 | 0 | 0 | 112.1 | L19 Y26 K27 L454 V563 V564 L567 | L19-L23 WeakPolarHBondContact O-CB 3.45Å; L19-L23 WeakPolarHBondContact O-CG 3.45Å; L19-L23 PolarHBondContact O-N 2.82Å; L23-Y26 CarbonylContact O-C 3.54Å; L23-Y26 PolarHBondContact O-N 3.32Å; L23-K27 VanDerWaalsContact O-CA 3.32Å; L23-K27 WeakPolarHBondContact O-CA 3.35Å; L23-K27 WeakPolarHBondContact O-CB 3.5Å; L23-K27 PolarHBondContact O-N 3.41Å; L23-L454 HydrophobicContact CD1-CD2 4.09Å; L23-V563 HydrophobicContact CD1-CG1 4.23Å; L23-V563 HydrophobicContact CD2-CB 4.12Å; L23-V563 HydrophobicContact CD2-CG1 3.8Å; L23-V563 HydrophobicContact CG-CG1 3.9Å; L23-V564 HydrophobicContact CD1-CG2 4.1Å; L23-V564 HydrophobicContact CD2-CG2 3.72Å; L23-L567 HydrophobicContact CD1-CB 4.42Å; L23-L567 HydrophobicContact CD1-CD2 3.83Å |
| 24 | S | 97.8 | Very high | 97.7 | Very high | 51 Ų | 51 | 44 Ų | 44 | 36% | 0.357 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -63.8 | -42.3 | 173.3 | -62.8 | 0 | 0 | 0 | 0 | 112.2 | T20 Y21 F22 Y26 K27 G451 | T20-S24 VanDerWaalsContact O-CB 3.23Å; T20-S24 WeakPolarHBondContact O-CB 3.19Å; T20-S24 PolarHBondContact O-N 3.41Å; T20-S24 PolarHBondContact O-OG 3.47Å; Y21-S24 PolarHBondContact O-N 3.26Å; F22-S24 VanDerWaalsContact C-N 3.33Å; F22-S24 PolarHBondContact O-N 3.02Å; S24-Y26 VanDerWaalsContact C-N 3.34Å; S24-Y26 PolarHBondContact O-N 2.83Å; S24-K27 WeakPolarHBondContact O-CB 3.27Å; S24-K27 PolarHBondContact O-N 3.39Å; S24-G451 WeakPolarHBondContact OG-CA 3.46Å; S24-G451 PolarHBondContact OG-O 2.99Å |
| 25 | T | 97.8 | Very high | 97.6 | Very high | 61 Ų | 61 | 41.4 Ų | 41.4 | 37% | 0.374 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -62.1 | -41.1 | 179.6 | -57.2 | 0 | 0 | 0 | 0 | 111.7 | Y21 F22 | Y21-T25 WeakPolarHBondContact O-CB 3.43Å; Y21-T25 PolarHBondContact O-N 3.41Å; Y21-T25 PolarHBondContact O-OG1 3.44Å; F22-T25 PolarHBondContact O-N 2.89Å |
| 26 | Y | 98.1 | Very high | 97.6 | Very high | 40 Ų | 40 | 40.5 Ų | 40.5 | 16% | 0.157 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.1 | 22.8 | -177.7 | -61.9 | -78.2 | 0 | 0 | 0 | 113.5 | F22 L23 S24 H28 I29 S30 W50 F87 | F22-Y26 AromaticContact CD2-CD2 3.72Å; F22-Y26 HydrophobicContact CD2-CD2 3.72Å; F22-Y26 AromaticContact CD2-CE2 3.68Å; F22-Y26 HydrophobicContact CD2-CE2 3.68Å; F22-Y26 AromaticContact CE2-CD2 3.5Å; F22-Y26 HydrophobicContact CE2-CD2 3.5Å; F22-Y26 AromaticContact CE2-CE2 3.36Å; F22-Y26 HydrophobicContact CE2-CE2 3.36Å; F22-Y26 HydrophobicContact CG-CD2 4.36Å; F22-Y26 AromaticContact CZ-CD2 3.98Å; F22-Y26 HydrophobicContact CZ-CD2 3.98Å; F22-Y26 HydrophobicContact CZ-CE2 4.19Å; F22-Y26 WeakPolarHBondContact O-CD2 3.15Å; F22-Y26 PolarHBondContact O-N 3.01Å; F22-Y26 VanDerWaalsContact O-N 3.11Å; L23-Y26 CarbonylContact O-C 3.54Å; L23-Y26 PolarHBondContact O-N 3.32Å; S24-Y26 VanDerWaalsContact C-N 3.34Å; S24-Y26 PolarHBondContact O-N 2.83Å; Y26-H28 PolarHBondContact O-N 3.45Å; Y26-I29 HydrophobicContact CD1-CD1 4.15Å; Y26-I29 WeakPolarHBondContact O-CA 3.32Å; Y26-I29 WeakPolarHBondContact O-CB 3.19Å; Y26-I29 PolarHBondContact O-N 3.34Å; Y26-S30 PolarHBondContact O-N 2.7Å; Y26-W50 HydrophobicContact CD1-CH2 4.26Å; Y26-W50 AromaticContact CE1-CH2 3.65Å; Y26-W50 HydrophobicContact CE1-CH2 3.65Å; Y26-W50 HydrophobicContact CE1-CZ2 4.17Å; Y26-F87 AromaticContact CD1-CD2 3.56Å; Y26-F87 HydrophobicContact CD1-CD2 3.56Å; Y26-F87 AromaticContact CD1-CE2 3.72Å; Y26-F87 HydrophobicContact CD1-CE2 3.72Å; Y26-F87 AromaticContact CD2-CD2 3.71Å; Y26-F87 HydrophobicContact CD2-CD2 3.71Å; Y26-F87 HydrophobicContact CD2-CE2 4.05Å; Y26-F87 HydrophobicContact CE1-CB 4.39Å; Y26-F87 AromaticContact CE1-CD2 3.59Å; Y26-F87 HydrophobicContact CE1-CD2 3.59Å; Y26-F87 HydrophobicContact CE1-CE2 4.23Å; Y26-F87 HydrophobicContact CE1-CG 4.29Å; Y26-F87 AromaticContact CE2-CD2 3.76Å; Y26-F87 HydrophobicContact CE2-CD2 3.76Å; Y26-F87 AromaticContact CG-CD2 3.62Å; Y26-F87 HydrophobicContact CG-CD2 3.62Å; Y26-F87 AromaticContact CG-CE2 3.62Å; Y26-F87 HydrophobicContact CG-CE2 3.62Å; Y26-F87 AromaticContact CZ-CD2 3.69Å |
| 27 | K | 97 | Very high | 97.6 | Very high | 90 Ų | 90 | 40.6 Ų | 40.6 | 39% | 0.391 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -57 | -34.6 | -176.1 | -173.8 | 169.7 | -178.8 | 171.7 | 0 | 113.6 | L23 S24 I29 S30 D31 | L23-K27 VanDerWaalsContact O-CA 3.32Å; L23-K27 WeakPolarHBondContact O-CA 3.35Å; L23-K27 WeakPolarHBondContact O-CB 3.5Å; L23-K27 PolarHBondContact O-N 3.41Å; S24-K27 WeakPolarHBondContact O-CB 3.27Å; S24-K27 PolarHBondContact O-N 3.39Å; K27-I29 PolarHBondContact O-N 2.9Å; K27-S30 WeakPolarHBondContact CA-OG 3.25Å; K27-S30 PolarHBondContact O-N 3.01Å; K27-S30 PolarHBondContact O-OG 2.87Å; K27-D31 WeakPolarHBondContact CE-OD2 3.39Å; K27-D31 WeakPolarHBondContact CG-OD2 3.12Å; K27-D31 WeakPolarHBondContact O-CB 3.25Å; K27-D31 PolarHBondContact O-N 2.96Å |
| 28 | H | 97.1 | Very high | 97.5 | Very high | 80 Ų | 80 | 36.3 Ų | 36.3 | 37% | 0.37 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -57.5 | -32.9 | 174.5 | 59.9 | -82.5 | 0 | 0 | 0 | 112.5 | Y26 S32 Y553 | Y26-H28 PolarHBondContact O-N 3.45Å; H28-S32 WeakPolarHBondContact O-CB 3.09Å; H28-S32 PolarHBondContact O-OG 3.37Å; H28-Y553 PolarHBondContact O-OH 2.94Å |
| 29 | I | 98.1 | Very high | 97.4 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -82.8 | -42.7 | 175.7 | -46.5 | -175.9 | 0 | 0 | 0 | 111.1 | Y26 K27 L46 W50 F87 L556 A557 L560 | Y26-I29 HydrophobicContact CD1-CD1 4.15Å; Y26-I29 WeakPolarHBondContact O-CA 3.32Å; Y26-I29 WeakPolarHBondContact O-CB 3.19Å; Y26-I29 PolarHBondContact O-N 3.34Å; K27-I29 PolarHBondContact O-N 2.9Å; I29-L46 HydrophobicContact CD1-CD2 4.05Å; I29-L46 HydrophobicContact CG1-CD2 4.42Å; I29-W50 HydrophobicContact CD1-CZ3 4.13Å; I29-F87 HydrophobicContact CD1-CE2 4.32Å; I29-F87 HydrophobicContact CD1-CZ 4.27Å; I29-L556 HydrophobicContact CG2-CB 3.91Å; I29-A557 HydrophobicContact CG2-CB 4.05Å; I29-L560 HydrophobicContact CB-CD1 3.99Å; I29-L560 HydrophobicContact CG2-CD1 4.2Å |
| 30 | S | 96.6 | Very high | 97.2 | Very high | 13 Ų | 13 | 39.2 Ų | 39.2 | 9% | 0.091 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -69.3 | -33.4 | -177.5 | 66.6 | 0 | 0 | 0 | 0 | 114 | Y26 K27 A458 | Y26-S30 PolarHBondContact O-N 2.7Å; K27-S30 WeakPolarHBondContact CA-OG 3.25Å; K27-S30 PolarHBondContact O-N 3.01Å; K27-S30 PolarHBondContact O-OG 2.87Å; S30-A458 PolarHBondContact O-N 2.73Å |
| 31 | D | 96.5 | Very high | 97.2 | Very high | 44 Ų | 44 | 43.4 Ų | 43.4 | 24% | 0.235 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | -2.7 | -176.3 | -68.5 | 7.7 | 0 | 0 | 0 | 112.4 | K27 S455 K457 | K27-D31 WeakPolarHBondContact CE-OD2 3.39Å; K27-D31 WeakPolarHBondContact CG-OD2 3.12Å; K27-D31 WeakPolarHBondContact O-CB 3.25Å; K27-D31 PolarHBondContact O-N 2.96Å; D31-S455 VanDerWaalsContact CG-CB 3.48Å; D31-S455 WeakPolarHBondContact OD1-CB 3.29Å; D31-S455 PolarHBondContact OD1-OG 3.25Å; D31-S455 WeakPolarHBondContact OD2-CB 3.48Å; D31-S455 PolarHBondContact OD2-OG 3.39Å; D31-K457 WeakPolarHBondContact O-CG 3.44Å |
| 32 | S | 96.6 | Very high | 97.2 | Very high | 11 Ų | 11 | 36.2 Ų | 36.2 | 8% | 0.077 | 19% | 0.187 | C | C | . | . | trans | -69.2 | 126.5 | -178.6 | -87.3 | 0 | 0 | 0 | 0 | 113.4 | H28 K457 Y553 | H28-S32 WeakPolarHBondContact O-CB 3.09Å; H28-S32 PolarHBondContact O-OG 3.37Å; S32-K457 WeakPolarHBondContact O-CE 3.4Å; S32-K457 WeakPolarHBondContact O-CG 3.08Å; S32-Y553 PolarHBondContact OG-OH 3.29Å | ||
| 33 | F | 96.3 | Very high | 97.2 | Very high | 49 Ų | 49 | 36.1 Ų | 36.1 | 22% | 0.215 | 19% | 0.187 | C | C | . | . | trans | -83.8 | 112.2 | 165.8 | -69.8 | -96.4 | 0 | 0 | 0 | 109.6 | I35 E36 L42 Y456 K457 | F33-I35 HydrophobicContact CB-CG1 4.35Å; F33-I35 PolarHBondContact O-N 2.84Å; F33-I35 VanDerWaalsContact O-N 3.1Å; F33-E36 HydrophobicContact CB-CB 4.35Å; F33-E36 HydrophobicContact CB-CG 3.84Å; F33-E36 WeakPolarHBondContact CB-OE2 3.48Å; F33-E36 WeakPolarHBondContact O-CA 3.34Å; F33-E36 WeakPolarHBondContact O-CB 3.37Å; F33-E36 PolarHBondContact O-N 3.24Å; F33-L42 WeakPolarHBondContact O-CD1 3.36Å; F33-Y456 HydrophobicContact CZ-CD1 4.46Å; F33-K457 HydrophobicContact CD1-CD 4Å; F33-K457 HydrophobicContact CD1-CG 4.42Å; F33-K457 HydrophobicContact CD2-CB 4.38Å; F33-K457 HydrophobicContact CD2-CG 4.2Å; F33-K457 HydrophobicContact CE1-CB 4.36Å; F33-K457 HydrophobicContact CE1-CD 4.02Å; F33-K457 HydrophobicContact CE1-CG 4.38Å; F33-K457 HydrophobicContact CE2-CB 3.84Å; F33-K457 HydrophobicContact CE2-CG 4.14Å; F33-K457 HydrophobicContact CG-CD 4.33Å; F33-K457 HydrophobicContact CG-CG 4.34Å; F33-K457 HydrophobicContact CZ-CB 3.83Å; F33-K457 HydrophobicContact CZ-CD 4.36Å; F33-K457 HydrophobicContact CZ-CG 4.24Å | ||
| 34 | I | 96.1 | Very high | 97.1 | Very high | 10 Ų | 10 | 38.3 Ų | 38.3 | 5% | 0.051 | 21% | 0.206 | C | C | . | . | G | 310 helix | trans | -58.7 | -27.1 | -178.7 | -53.5 | -58.9 | 0 | 0 | 0 | 112.8 | E36 F37 H483 A487 V550 Y553 F554 A557 | I34-E36 PolarHBondContact O-N 2.87Å; I34-F37 VanDerWaalsContact O-CB 3.23Å; I34-F37 WeakPolarHBondContact O-CB 3.31Å; I34-F37 PolarHBondContact O-N 2.93Å; I34-H483 HydrophobicContact CG2-CB 3.96Å; I34-A487 WeakPolarHBondContact O-CB 3.35Å; I34-V550 HydrophobicContact CG2-CG1 3.78Å; I34-Y553 HydrophobicContact CD1-CD1 3.8Å; I34-Y553 HydrophobicContact CD1-CE1 4.29Å; I34-F554 HydrophobicContact CD1-CB 3.98Å; I34-F554 HydrophobicContact CD1-CD2 4.08Å; I34-F554 HydrophobicContact CD1-CG 4.49Å; I34-F554 HydrophobicContact CG1-CB 4.16Å; I34-F554 HydrophobicContact CG1-CD2 3.71Å; I34-F554 HydrophobicContact CG1-CG 4.27Å; I34-F554 HydrophobicContact CG2-CB 4.32Å; I34-A557 HydrophobicContact CD1-CB 4.49Å |
| 35 | I | 96.3 | Very high | 97.2 | Very high | 23 Ų | 23 | 38.8 Ų | 38.8 | 12% | 0.118 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -67.1 | -20.3 | 173.8 | 69.2 | -179.6 | 0 | 0 | 0 | 112.5 | F33 F37 R486 A487 E490 R502 | F33-I35 HydrophobicContact CB-CG1 4.35Å; F33-I35 PolarHBondContact O-N 2.84Å; F33-I35 VanDerWaalsContact O-N 3.1Å; I35-F37 VanDerWaalsContact C-N 3.32Å; I35-R486 HydrophobicContact CG2-CB 3.72Å; I35-A487 VanDerWaalsContact O-CA 3.23Å; I35-A487 WeakPolarHBondContact O-CA 3.39Å; I35-E490 HydrophobicContact CB-CB 4.22Å; I35-E490 HydrophobicContact CB-CG 4.33Å; I35-E490 HydrophobicContact CG1-CG 4.24Å; I35-E490 WeakPolarHBondContact O-CB 3.13Å; I35-E490 VanDerWaalsContact O-CG 3.28Å; I35-E490 WeakPolarHBondContact O-CG 3.49Å; I35-R502 HydrophobicContact CD1-CB 4.03Å; I35-R502 HydrophobicContact CD1-CG 4Å; I35-R502 HydrophobicContact CG1-CG 4.34Å |
| 36 | E | 96.4 | Very high | 97.2 | Very high | 7 Ų | 7 | 36 Ų | 36 | 3% | 0.033 | 19% | 0.19 | C | C | . | . | G | 310 helix | trans | -92.3 | 11 | 177.2 | -53.5 | -168.4 | 109.3 | 0 | 0 | 112.9 | F33 I34 F38 S39 E40 R494 R501 R502 | F33-E36 HydrophobicContact CB-CB 4.35Å; F33-E36 HydrophobicContact CB-CG 3.84Å; F33-E36 WeakPolarHBondContact CB-OE2 3.48Å; F33-E36 WeakPolarHBondContact O-CA 3.34Å; F33-E36 WeakPolarHBondContact O-CB 3.37Å; F33-E36 PolarHBondContact O-N 3.24Å; I34-E36 PolarHBondContact O-N 2.87Å; E36-F38 VanDerWaalsContact C-N 3.31Å; E36-F38 PolarHBondContact O-N 3.21Å; E36-S39 WeakPolarHBondContact CA-OG 3.36Å; E36-S39 PolarHBondContact O-N 3.48Å; E36-S39 VanDerWaalsContact O-N 3.17Å; E36-S39 PolarHBondContact O-OG 3.32Å; E36-E40 HydrophobicContact CB-CG 3.73Å; E36-E40 PolarHBondContact O-N 3.09Å; E36-R494 IonicContact OE1-NH1 3.77Å; E36-R494 PolarHBondContact OE1-NH1 2.82Å; E36-R501 IonicContact OE1-CZ 2.88Å; E36-R501 IonicContact OE1-NE 3.63Å; E36-R501 PolarHBondContact OE1-NE 3.28Å; E36-R501 IonicContact OE1-NH2 3.22Å; E36-R501 PolarHBondContact OE1-NH2 3.05Å; E36-R501 IonicContact OE2-NE 2.69Å; E36-R501 IonicContact OE2-NH2 3.9Å; E36-R501 PolarHBondContact OE2-NH2 3.38Å; E36-R502 HydrophobicContact CG-CG 3.91Å; E36-R502 IonicContact OE1-CZ 2.85Å; E36-R502 IonicContact OE1-NH1 2.8Å; E36-R502 WeakPolarHBondContact OE2-CD 3.26Å; E36-R502 IonicContact OE2-CZ 3.83Å; E36-R502 IonicContact OE2-NE 2.72Å; E36-R502 IonicContact OE2-NH1 3.43Å; E36-R502 PolarHBondContact OE2-NH1 2.89Å |
| 37 | F | 98.3 | Very high | 97.1 | Very high | 2 Ų | 2 | 36.9 Ų | 36.9 | 1% | 0.009 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | -42.1 | -173.8 | 179.8 | -85.7 | 0 | 0 | 0 | 114.5 | I34 I35 D41 L42 W43 A487 R549 V550 Y553 | I34-F37 VanDerWaalsContact O-CB 3.23Å; I34-F37 WeakPolarHBondContact O-CB 3.31Å; I34-F37 PolarHBondContact O-N 2.93Å; I35-F37 VanDerWaalsContact C-N 3.32Å; F37-D41 WeakPolarHBondContact O-CA 3.46Å; F37-L42 HydrophobicContact CB-CD1 4.38Å; F37-L42 HydrophobicContact CD2-CB 4.01Å; F37-L42 PolarHBondContact O-N 3.14Å; F37-W43 HydrophobicContact CE2-CB 4.19Å; F37-W43 HydrophobicContact CE2-CE3 4.31Å; F37-W43 HydrophobicContact CZ-CB 3.79Å; F37-W43 HydrophobicContact CZ-CE3 4.2Å; F37-W43 HydrophobicContact CZ-CG 4.46Å; F37-A487 HydrophobicContact CB-CB 4.14Å; F37-R549 HydrophobicContact CZ-CB 3.79Å; F37-V550 HydrophobicContact CD1-CG2 3.69Å; F37-V550 HydrophobicContact CD2-CG2 4.38Å; F37-V550 HydrophobicContact CE1-CG2 3.74Å; F37-V550 HydrophobicContact CE2-CG2 4.42Å; F37-V550 HydrophobicContact CG-CG1 4.44Å; F37-V550 HydrophobicContact CG-CG2 4.03Å; F37-V550 HydrophobicContact CZ-CG2 4.11Å; F37-Y553 HydrophobicContact CD2-CG 4.24Å; F37-Y553 HydrophobicContact CE2-CD2 4.4Å; F37-Y553 HydrophobicContact CE2-CG 4.08Å |
| 38 | F | 98.1 | Very high | 97.2 | Very high | 37 Ų | 37 | 37.1 Ų | 37.1 | 16% | 0.162 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | -27.4 | 178.8 | -56.8 | -68 | 0 | 0 | 0 | 113.5 | E36 A487 M543 Q546 V550 | E36-F38 VanDerWaalsContact C-N 3.31Å; E36-F38 PolarHBondContact O-N 3.21Å; F38-A487 HydrophobicContact CD2-CB 3.84Å; F38-A487 HydrophobicContact CE2-CB 3.88Å; F38-M543 HydrophobicContact CB-CG 4.37Å; F38-M543 HydrophobicContact CB-SD 3.82Å; F38-M543 HydrophobicContact CD1-CB 4.26Å; F38-M543 HydrophobicContact CD1-CG 3.84Å; F38-M543 HydrophobicContact CD1-SD 4.34Å; F38-M543 HydrophobicContact CD2-CB 4.13Å; F38-M543 HydrophobicContact CD2-CG 3.98Å; F38-M543 HydrophobicContact CD2-SD 3.65Å; F38-M543 HydrophobicContact CE1-CB 3.98Å; F38-M543 HydrophobicContact CE1-CG 4.07Å; F38-M543 HydrophobicContact CE2-CB 3.84Å; F38-M543 HydrophobicContact CE2-CG 4.21Å; F38-M543 HydrophobicContact CE2-SD 4.3Å; F38-M543 HydrophobicContact CG-CB 4.34Å; F38-M543 HydrophobicContact CG-CG 3.81Å; F38-M543 HydrophobicContact CG-SD 3.68Å; F38-M543 HydrophobicContact CZ-CB 3.77Å; F38-M543 HydrophobicContact CZ-CG 4.26Å; F38-M543 VanDerWaalsContact CZ-O 3.24Å; F38-M543 WeakPolarHBondContact CZ-O 3.38Å; F38-Q546 HydrophobicContact CE1-CB 4.03Å; F38-Q546 HydrophobicContact CZ-CB 4.4Å; F38-V550 HydrophobicContact CE2-CG2 4.43Å; F38-V550 HydrophobicContact CZ-CG2 3.93Å |
| 39 | S | 95 | Very high | 97.1 | Very high | 37 Ų | 37 | 41.5 Ų | 41.5 | 26% | 0.259 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | -16.3 | -175 | 47.1 | 0 | 0 | 0 | 0 | 114 | E36 | E36-S39 WeakPolarHBondContact CA-OG 3.36Å; E36-S39 PolarHBondContact O-N 3.48Å; E36-S39 VanDerWaalsContact O-N 3.17Å; E36-S39 PolarHBondContact O-OG 3.32Å |
| 40 | E | 96 | Very high | 97 | Very high | 79 Ų | 79 | 41.6 Ų | 41.6 | 37% | 0.369 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -124.1 | 17.8 | 173 | -43.4 | -87.6 | 131.6 | 0 | 0 | 111.5 | E36 L42 R494 R501 | E36-E40 HydrophobicContact CB-CG 3.73Å; E36-E40 PolarHBondContact O-N 3.09Å; E40-L42 HydrophobicContact CB-CD2 4.26Å; E40-L42 PolarHBondContact O-N 3.43Å; E40-R494 IonicContact OE1-CZ 3.75Å; E40-R494 IonicContact OE1-NH1 3.28Å; E40-R494 PolarHBondContact OE1-NH1 3.46Å; E40-R494 IonicContact OE1-NH2 3.47Å; E40-R494 PolarHBondContact OE1-NH2 3.43Å; E40-R501 IonicContact OE1-CZ 3.78Å; E40-R501 IonicContact OE1-NH1 2.82Å; E40-R501 IonicContact OE1-NH2 3.62Å; E40-R501 PolarHBondContact OE1-NH2 3.43Å; E40-R501 IonicContact OE2-CZ 2.72Å; E40-R501 IonicContact OE2-NH1 3.62Å; E40-R501 IonicContact OE2-NH2 3.26Å; E40-R501 PolarHBondContact OE2-NH2 2.93Å |
| 41 | D | 97.2 | Very high | 97.1 | Very high | 91 Ų | 91 | 42.9 Ų | 42.9 | 49% | 0.487 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 35.6 | 60.7 | -176 | -165.9 | 2.7 | 0 | 0 | 0 | 114.7 | F37 W43 A44 | F37-D41 WeakPolarHBondContact O-CA 3.46Å; D41-W43 PolarHBondContact O-N 2.9Å; D41-W43 VanDerWaalsContact O-N 3.15Å; D41-A44 HydrophobicContact CB-CB 4.38Å; D41-A44 PolarHBondContact O-N 2.95Å; D41-A44 VanDerWaalsContact O-N 3.12Å; D41-A44 PolarHBondContact OD1-N 3.19Å; D41-A44 WeakPolarHBondContact OD2-CB 3.47Å |
| 42 | L | 98.4 | Very high | 97 | Very high | 15 Ų | 15 | 45.5 Ų | 45.5 | 8% | 0.079 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -61.9 | -28.2 | -174.4 | -64.2 | -173.8 | 0 | 0 | 0 | 112.5 | F33 F37 E40 A44 T45 Y553 | F33-L42 WeakPolarHBondContact O-CD1 3.36Å; F37-L42 HydrophobicContact CB-CD1 4.38Å; F37-L42 HydrophobicContact CD2-CB 4.01Å; F37-L42 PolarHBondContact O-N 3.14Å; E40-L42 HydrophobicContact CB-CD2 4.26Å; E40-L42 PolarHBondContact O-N 3.43Å; L42-A44 PolarHBondContact O-N 3.19Å; L42-T45 WeakPolarHBondContact O-CB 3.27Å; L42-T45 PolarHBondContact O-N 2.68Å; L42-T45 PolarHBondContact O-OG1 3.02Å; L42-Y553 HydrophobicContact CB-CD1 4.49Å; L42-Y553 HydrophobicContact CB-CD2 4.41Å; L42-Y553 HydrophobicContact CB-CE1 4.08Å; L42-Y553 HydrophobicContact CB-CE2 4.01Å; L42-Y553 HydrophobicContact CD1-CD1 4.5Å; L42-Y553 HydrophobicContact CD1-CE1 3.99Å; L42-Y553 WeakPolarHBondContact O-CE2 3.44Å |
| 43 | W | 98.3 | Very high | 96.9 | Very high | 9 Ų | 9 | 46.9 Ų | 46.9 | 3% | 0.034 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -63.3 | -40.3 | 177.2 | -171.4 | -100.5 | 0 | 0 | 0 | 112.5 | F37 D41 T45 L46 Q51 L54 C55 R549 V552 | F37-W43 HydrophobicContact CE2-CB 4.19Å; F37-W43 HydrophobicContact CE2-CE3 4.31Å; F37-W43 HydrophobicContact CZ-CB 3.79Å; F37-W43 HydrophobicContact CZ-CE3 4.2Å; F37-W43 HydrophobicContact CZ-CG 4.46Å; D41-W43 PolarHBondContact O-N 2.9Å; D41-W43 VanDerWaalsContact O-N 3.15Å; W43-T45 PolarHBondContact O-N 3.44Å; W43-L46 HydrophobicContact CE3-CD1 4.04Å; W43-L46 HydrophobicContact CZ3-CD1 4.05Å; W43-L46 PolarHBondContact O-N 3.45Å; W43-Q51 HydrophobicContact CZ2-CB 4.02Å; W43-Q51 HydrophobicContact CZ2-CG 4.35Å; W43-Q51 PolarHBondContact O-NE2 3.3Å; W43-L54 HydrophobicContact CH2-CB 3.83Å; W43-L54 HydrophobicContact CZ2-CB 4.48Å; W43-C55 HydrophobicContact CZ2-CB 3.94Å; W43-R549 HydrophobicContact CD2-CB 4.03Å; W43-R549 HydrophobicContact CD2-CG 4.1Å; W43-R549 HydrophobicContact CE3-CB 3.62Å; W43-R549 HydrophobicContact CE3-CG 4.08Å; W43-R549 HydrophobicContact CH2-CB 4.22Å; W43-R549 HydrophobicContact CH2-CG 4Å; W43-R549 HydrophobicContact CZ2-CG 4.05Å; W43-R549 HydrophobicContact CZ3-CB 3.72Å; W43-R549 HydrophobicContact CZ3-CG 4.02Å; W43-V552 HydrophobicContact CZ3-CB 4.33Å; W43-V552 HydrophobicContact CZ3-CG1 4.45Å |
| 44 | A | 98.1 | Very high | 96.8 | Very high | 55 Ų | 55 | 44.5 Ų | 44.5 | 46% | 0.455 | 23% | 0.234 | S | C | . | . | G | 310 helix | trans | -64.9 | -21.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | D41 L42 L46 | D41-A44 HydrophobicContact CB-CB 4.38Å; D41-A44 PolarHBondContact O-N 2.95Å; D41-A44 VanDerWaalsContact O-N 3.12Å; D41-A44 PolarHBondContact OD1-N 3.19Å; D41-A44 WeakPolarHBondContact OD2-CB 3.47Å; L42-A44 PolarHBondContact O-N 3.19Å; A44-L46 VanDerWaalsContact C-N 3.25Å; A44-L46 PolarHBondContact O-N 2.99Å |
| 45 | T | 97.9 | Very high | 96.7 | Very high | 61 Ų | 61 | 45.9 Ų | 45.9 | 37% | 0.374 | 24% | 0.244 | S | C | . | . | G | 310 helix | trans | -68.9 | -21.7 | 176.5 | 75 | 0 | 0 | 0 | 0 | 113.4 | L42 W43 Y553 | L42-T45 WeakPolarHBondContact O-CB 3.27Å; L42-T45 PolarHBondContact O-N 2.68Å; L42-T45 PolarHBondContact O-OG1 3.02Å; W43-T45 PolarHBondContact O-N 3.44Å; T45-Y553 PolarHBondContact OG1-OH 2.86Å |
| 46 | L | 98.1 | Very high | 96.3 | Very high | 3 Ų | 3 | 51.1 Ų | 51.1 | 2% | 0.016 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -74.1 | 145 | 176.7 | -60.6 | -176.4 | 0 | 0 | 0 | 111 | I29 W43 A44 T48 W50 Q51 L54 Y553 L556 | I29-L46 HydrophobicContact CD1-CD2 4.05Å; I29-L46 HydrophobicContact CG1-CD2 4.42Å; W43-L46 HydrophobicContact CE3-CD1 4.04Å; W43-L46 HydrophobicContact CZ3-CD1 4.05Å; W43-L46 PolarHBondContact O-N 3.45Å; A44-L46 VanDerWaalsContact C-N 3.25Å; A44-L46 PolarHBondContact O-N 2.99Å; L46-T48 PolarHBondContact O-N 3.01Å; L46-W50 HydrophobicContact CD2-CE3 4.39Å; L46-Q51 HydrophobicContact CB-CG 3.93Å; L46-Q51 PolarHBondContact O-NE2 3.18Å; L46-L54 HydrophobicContact CD1-CD1 4.3Å; L46-Y553 HydrophobicContact CD1-CD2 3.85Å; L46-Y553 HydrophobicContact CD1-CE2 4.27Å; L46-Y553 HydrophobicContact CD2-CD2 4.03Å; L46-Y553 HydrophobicContact CD2-CE2 3.65Å; L46-Y553 HydrophobicContact CG-CD2 3.9Å; L46-Y553 HydrophobicContact CG-CE2 3.8Å; L46-L556 HydrophobicContact CD1-CD1 3.65Å; L46-L556 HydrophobicContact CD2-CD1 3.69Å; L46-L556 HydrophobicContact CG-CD1 4.35Å |
| 47 | P | 97.6 | Very high | 96.2 | Very high | 59 Ų | 59 | 51.5 Ų | 51.5 | 38% | 0.383 | 28% | 0.275 | S | S | . | . | trans | -53.1 | 136.3 | 173.2 | -25.5 | 33.8 | 0 | 0 | 0 | 111.9 | R49 W50 Q51 | P47-R49 PolarHBondContact O-N 3.28Å; P47-W50 HydrophobicContact CB-CB 4.46Å; P47-W50 HydrophobicContact CB-CG 4.06Å; P47-W50 HydrophobicContact CG-CD2 4.04Å; P47-W50 HydrophobicContact CG-CG 4.12Å; P47-W50 WeakPolarHBondContact O-CA 3.44Å; P47-W50 VanDerWaalsContact O-CB 3.3Å; P47-W50 WeakPolarHBondContact O-CB 3.22Å; P47-W50 PolarHBondContact O-N 3.33Å; P47-Q51 PolarHBondContact O-N 3.37Å | ||
| 48 | T | 97.1 | Very high | 96.1 | Very high | 94 Ų | 94 | 53.6 Ų | 53.6 | 58% | 0.577 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -55.1 | -34.7 | -174.8 | -40 | 0 | 0 | 0 | 0 | 113.2 | L46 W50 Q51 Q52 | L46-T48 PolarHBondContact O-N 3.01Å; T48-W50 VanDerWaalsContact C-N 3.33Å; T48-W50 PolarHBondContact O-N 2.9Å; T48-Q51 PolarHBondContact O-N 3.25Å; T48-Q52 WeakPolarHBondContact O-CG 3.47Å; T48-Q52 PolarHBondContact O-N 3.32Å |
| 49 | R | 95.8 | Very high | 96 | Very high | 172 Ų | 172 | 53.2 Ų | 53.2 | 65% | 0.649 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -70 | -24.8 | 175.1 | -65.4 | -53.5 | -163.3 | 173.1 | 5.9 | 113.9 | P47 I53 P81 | P47-R49 PolarHBondContact O-N 3.28Å; R49-I53 WeakPolarHBondContact O-CG1 3.39Å; R49-P81 HydrophobicContact CB-CB 4.46Å; R49-P81 HydrophobicContact CB-CG 3.97Å; R49-P81 VanDerWaalsContact O-CG 3.29Å; R49-P81 WeakPolarHBondContact O-CG 3.28Å |
| 50 | W | 97.3 | Very high | 96 | Very high | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.008 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -74.7 | -50.3 | 169 | -65.6 | 19.6 | 0 | 0 | 0 | 109.1 | Y26 I29 L46 P47 T48 Q52 I53 L54 S83 L84 F87 L556 | Y26-W50 HydrophobicContact CD1-CH2 4.26Å; Y26-W50 AromaticContact CE1-CH2 3.65Å; Y26-W50 HydrophobicContact CE1-CH2 3.65Å; Y26-W50 HydrophobicContact CE1-CZ2 4.17Å; I29-W50 HydrophobicContact CD1-CZ3 4.13Å; L46-W50 HydrophobicContact CD2-CE3 4.39Å; P47-W50 HydrophobicContact CB-CB 4.46Å; P47-W50 HydrophobicContact CB-CG 4.06Å; P47-W50 HydrophobicContact CG-CD2 4.04Å; P47-W50 HydrophobicContact CG-CG 4.12Å; P47-W50 WeakPolarHBondContact O-CA 3.44Å; P47-W50 VanDerWaalsContact O-CB 3.3Å; P47-W50 WeakPolarHBondContact O-CB 3.22Å; P47-W50 PolarHBondContact O-N 3.33Å; T48-W50 VanDerWaalsContact C-N 3.33Å; T48-W50 PolarHBondContact O-N 2.9Å; W50-Q52 VanDerWaalsContact C-N 3.26Å; W50-Q52 PolarHBondContact O-N 3.3Å; W50-I53 PolarHBondContact O-N 3.09Å; W50-L54 HydrophobicContact CB-CD1 3.98Å; W50-L54 VanDerWaalsContact O-CB 3.22Å; W50-L54 WeakPolarHBondContact O-CB 3.47Å; W50-L54 VanDerWaalsContact O-CG 3.26Å; W50-L54 WeakPolarHBondContact O-CG 3.41Å; W50-L54 PolarHBondContact O-N 2.64Å; W50-S83 PolarHBondContact NE1-OG 3.39Å; W50-L84 HydrophobicContact CD2-CB 4.14Å; W50-L84 HydrophobicContact CD2-CD1 3.87Å; W50-L84 HydrophobicContact CE3-CD1 3.85Å; W50-L84 HydrophobicContact CG-CB 4.24Å; W50-L84 HydrophobicContact CG-CD1 4.42Å; W50-L84 HydrophobicContact CH2-CD1 4.34Å; W50-L84 HydrophobicContact CZ2-CB 4.28Å; W50-L84 HydrophobicContact CZ2-CD1 4.36Å; W50-L84 HydrophobicContact CZ3-CD1 4.09Å; W50-F87 HydrophobicContact CH2-CB 3.64Å; W50-F87 AromaticContact CH2-CD1 3.85Å; W50-F87 HydrophobicContact CH2-CD1 3.85Å; W50-F87 AromaticContact CH2-CD2 3.96Å; W50-F87 HydrophobicContact CH2-CD2 3.96Å; W50-F87 HydrophobicContact CH2-CE1 4.48Å; W50-F87 AromaticContact CH2-CG 3.55Å; W50-F87 HydrophobicContact CH2-CG 3.55Å; W50-F87 HydrophobicContact CZ2-CB 3.93Å; W50-F87 HydrophobicContact CZ2-CG 4.34Å; W50-F87 HydrophobicContact CZ3-CD1 4.16Å; W50-F87 HydrophobicContact CZ3-CE1 4.44Å; W50-F87 HydrophobicContact CZ3-CG 4.27Å; W50-L556 HydrophobicContact CE3-CD1 4.47Å; W50-L556 HydrophobicContact CZ3-CD2 4.38Å |
| 51 | Q | 97.4 | Very high | 95.9 | Very high | 40 Ų | 40 | 52.7 Ų | 52.7 | 19% | 0.187 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -50.8 | -45.7 | 179.2 | -62 | -178.6 | 32 | 0 | 0 | 112.3 | W43 L46 P47 T48 I53 L54 C55 | W43-Q51 HydrophobicContact CZ2-CB 4.02Å; W43-Q51 HydrophobicContact CZ2-CG 4.35Å; W43-Q51 PolarHBondContact O-NE2 3.3Å; L46-Q51 HydrophobicContact CB-CG 3.93Å; L46-Q51 PolarHBondContact O-NE2 3.18Å; P47-Q51 PolarHBondContact O-N 3.37Å; T48-Q51 PolarHBondContact O-N 3.25Å; Q51-I53 PolarHBondContact O-N 2.87Å; Q51-L54 PolarHBondContact O-N 2.96Å; Q51-C55 WeakPolarHBondContact O-CB 3.22Å; Q51-C55 PolarHBondContact O-N 2.66Å; Q51-C55 PolarHBondContact O-SG 2.96Å |
| 52 | Q | 94.4 | Very high | 95.9 | Very high | 99 Ų | 99 | 48.4 Ų | 48.4 | 46% | 0.463 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -60.6 | -23.4 | 178.8 | -77.8 | 175.7 | -16.5 | 0 | 0 | 115.5 | T48 W50 | T48-Q52 WeakPolarHBondContact O-CG 3.47Å; T48-Q52 PolarHBondContact O-N 3.32Å; W50-Q52 VanDerWaalsContact C-N 3.26Å; W50-Q52 PolarHBondContact O-N 3.3Å |
| 53 | I | 93.9 | Very high | 95.8 | Very high | 40 Ų | 40 | 47.7 Ų | 47.7 | 21% | 0.205 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -108.4 | -24.8 | -176.4 | -60.5 | -53.2 | 0 | 0 | 0 | 111.2 | R49 W50 Q51 W80 P81 | R49-I53 WeakPolarHBondContact O-CG1 3.39Å; W50-I53 PolarHBondContact O-N 3.09Å; Q51-I53 PolarHBondContact O-N 2.87Å; I53-W80 HydrophobicContact CG2-CD2 4.23Å; I53-W80 HydrophobicContact CG2-CG 3.88Å; I53-W80 VanDerWaalsContact CG2-NE1 3.33Å; I53-P81 HydrophobicContact CG1-CG 4.45Å |
| 54 | L | 95.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -89.5 | -20.6 | -178.4 | -72 | -175.7 | 0 | 0 | 0 | 113.5 | W43 L46 W50 Q51 D56 L57 L84 V552 L556 | W43-L54 HydrophobicContact CH2-CB 3.83Å; W43-L54 HydrophobicContact CZ2-CB 4.48Å; L46-L54 HydrophobicContact CD1-CD1 4.3Å; W50-L54 HydrophobicContact CB-CD1 3.98Å; W50-L54 VanDerWaalsContact O-CB 3.22Å; W50-L54 WeakPolarHBondContact O-CB 3.47Å; W50-L54 VanDerWaalsContact O-CG 3.26Å; W50-L54 WeakPolarHBondContact O-CG 3.41Å; W50-L54 PolarHBondContact O-N 2.64Å; Q51-L54 PolarHBondContact O-N 2.96Å; L54-D56 VanDerWaalsContact C-N 3.3Å; L54-D56 PolarHBondContact O-N 3.48Å; L54-L57 HydrophobicContact CD2-CD1 3.67Å; L54-L84 HydrophobicContact CD1-CD1 4.48Å; L54-L84 HydrophobicContact CD2-CD2 3.93Å; L54-L84 HydrophobicContact CG-CD2 4.19Å; L54-V552 HydrophobicContact CB-CG1 3.91Å; L54-V552 HydrophobicContact CD1-CG1 4.01Å; L54-V552 HydrophobicContact CD2-CG1 3.97Å; L54-V552 HydrophobicContact CG-CG1 4.18Å; L54-L556 HydrophobicContact CD1-CD1 3.94Å; L54-L556 HydrophobicContact CD1-CD2 4.45Å |
| 55 | C | 94.1 | Very high | 95.3 | Very high | 38 Ų | 38 | 47.6 Ų | 47.6 | 26% | 0.257 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -27.1 | -176.1 | 54.9 | 0 | 0 | 0 | 0 | 114.5 | W43 Q51 | W43-C55 HydrophobicContact CZ2-CB 3.94Å; Q51-C55 WeakPolarHBondContact O-CB 3.22Å; Q51-C55 PolarHBondContact O-N 2.66Å; Q51-C55 PolarHBondContact O-SG 2.96Å |
| 56 | D | 87.8 | Confident | 95.1 | Very high | 134 Ų | 134 | 44.7 Ų | 44.7 | 72% | 0.717 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -107.6 | 9 | -169.3 | -56.1 | -18.8 | 0 | 0 | 0 | 113.1 | L54 | L54-D56 VanDerWaalsContact C-N 3.3Å; L54-D56 PolarHBondContact O-N 3.48Å |
| 57 | L | 94.1 | Very high | 94.9 | Very high | 15 Ų | 15 | 44.7 Ų | 44.7 | 8% | 0.079 | 24% | 0.235 | C | C | . | . | trans | -76.2 | 126.6 | -179.6 | -61.7 | -177 | 0 | 0 | 0 | 111.8 | L54 Q61 I62 W80 | L54-L57 HydrophobicContact CD2-CD1 3.67Å; L57-Q61 HydrophobicContact CB-CB 4.42Å; L57-Q61 HydrophobicContact CD2-CB 4.35Å; L57-I62 HydrophobicContact CB-CD1 4.48Å; L57-I62 HydrophobicContact CB-CG1 3.77Å; L57-I62 HydrophobicContact CD1-CG1 4.36Å; L57-W80 HydrophobicContact CD1-CH2 4.08Å; L57-W80 HydrophobicContact CD1-CZ2 3.83Å; L57-W80 HydrophobicContact CD2-CZ2 4.11Å | ||
| 58 | S | 94.9 | Very high | 94.6 | Very high | 45 Ų | 45 | 42.9 Ų | 42.9 | 32% | 0.315 | 22% | 0.222 | S | C | . | . | trans | -71.7 | 155.3 | 169.4 | 68.5 | 0 | 0 | 0 | 0 | 111.6 | P60 Q61 I62 | S58-P60 VanDerWaalsContact C-N 3.34Å; S58-Q61 WeakPolarHBondContact O-CA 3.14Å; S58-Q61 WeakPolarHBondContact O-CB 3.37Å; S58-Q61 PolarHBondContact O-N 2.95Å; S58-Q61 WeakPolarHBondContact OG-CG 3.24Å; S58-Q61 PolarHBondContact OG-OE1 3.2Å; S58-I62 WeakPolarHBondContact O-CG1 3.31Å; S58-I62 PolarHBondContact O-N 3.4Å | ||
| 59 | P | 96.4 | Very high | 94 | Very high | 30 Ų | 30 | 44.6 Ų | 44.6 | 20% | 0.195 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -50.5 | -42.5 | 179.9 | -26.3 | 34.6 | 0 | 0 | 0 | 114.8 | Q61 I62 A63 L473 E476 L480 | P59-Q61 PolarHBondContact O-N 3.41Å; P59-I62 WeakPolarHBondContact O-CB 3.49Å; P59-I62 PolarHBondContact O-N 3.5Å; P59-A63 PolarHBondContact O-N 2.98Å; P59-A63 VanDerWaalsContact O-N 3.12Å; P59-L473 CarbonylContact C-O 3.58Å; P59-L473 HydrophobicContact CB-CD2 3.9Å; P59-L473 VanDerWaalsContact CB-O 3.26Å; P59-L473 WeakPolarHBondContact CB-O 3.5Å; P59-L473 WeakPolarHBondContact O-CB 3.35Å; P59-E476 HydrophobicContact CB-CG 4.39Å; P59-L480 HydrophobicContact CB-CD1 3.82Å; P59-L480 HydrophobicContact CG-CD1 4.08Å |
| 60 | P | 95.6 | Very high | 93.4 | Very high | 33 Ų | 33 | 41.2 Ų | 41.2 | 21% | 0.214 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -65 | -36.8 | 174.9 | -22.6 | 36 | 0 | 0 | 0 | 113.2 | S58 I62 A63 D64 E476 | S58-P60 VanDerWaalsContact C-N 3.34Å; P60-I62 VanDerWaalsContact C-N 3.31Å; P60-I62 PolarHBondContact O-N 3.3Å; P60-A63 WeakPolarHBondContact O-CB 3.17Å; P60-A63 PolarHBondContact O-N 3.23Å; P60-D64 WeakPolarHBondContact O-CB 3.39Å; P60-D64 PolarHBondContact O-N 3.23Å; P60-E476 HydrophobicContact CG-CG 3.82Å |
| 61 | Q | 94.7 | Very high | 92.6 | Very high | 72 Ų | 72 | 42.9 Ų | 42.9 | 34% | 0.336 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -64.9 | -34.9 | 174.4 | -70.4 | 172.9 | -24.2 | 0 | 0 | 112.1 | L57 S58 P59 D64 L65 | L57-Q61 HydrophobicContact CB-CB 4.42Å; L57-Q61 HydrophobicContact CD2-CB 4.35Å; S58-Q61 WeakPolarHBondContact O-CA 3.14Å; S58-Q61 WeakPolarHBondContact O-CB 3.37Å; S58-Q61 PolarHBondContact O-N 2.95Å; S58-Q61 WeakPolarHBondContact OG-CG 3.24Å; S58-Q61 PolarHBondContact OG-OE1 3.2Å; P59-Q61 PolarHBondContact O-N 3.41Å; Q61-D64 PolarHBondContact O-N 3.33Å; Q61-L65 HydrophobicContact CB-CD1 4.24Å; Q61-L65 WeakPolarHBondContact O-CB 3.38Å; Q61-L65 WeakPolarHBondContact O-CG 3.37Å; Q61-L65 PolarHBondContact O-N 3.03Å |
| 62 | I | 96.1 | Very high | 91.4 | Very high | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.005 | 25% | 0.25 | C | C | . | . | I | π-helix | trans | -64.3 | -43.4 | 174.1 | -58.4 | 168.6 | 0 | 0 | 0 | 110.2 | L57 S58 P59 P60 L66 L67 L473 V551 V552 S555 | L57-I62 HydrophobicContact CB-CD1 4.48Å; L57-I62 HydrophobicContact CB-CG1 3.77Å; L57-I62 HydrophobicContact CD1-CG1 4.36Å; S58-I62 WeakPolarHBondContact O-CG1 3.31Å; S58-I62 PolarHBondContact O-N 3.4Å; P59-I62 WeakPolarHBondContact O-CB 3.49Å; P59-I62 PolarHBondContact O-N 3.5Å; P60-I62 VanDerWaalsContact C-N 3.31Å; P60-I62 PolarHBondContact O-N 3.3Å; I62-L66 HydrophobicContact CG2-CD2 4.33Å; I62-L66 VanDerWaalsContact O-CB 3.31Å; I62-L66 WeakPolarHBondContact O-CB 3.4Å; I62-L66 PolarHBondContact O-N 2.64Å; I62-L67 PolarHBondContact O-N 2.87Å; I62-L67 VanDerWaalsContact O-N 3.15Å; I62-L473 HydrophobicContact CB-CD1 4.28Å; I62-L473 HydrophobicContact CB-CD2 4.33Å; I62-L473 HydrophobicContact CG2-CD1 3.96Å; I62-L473 HydrophobicContact CG2-CD2 4.41Å; I62-V551 HydrophobicContact CD1-CG1 3.73Å; I62-V552 HydrophobicContact CD1-CB 4.4Å; I62-V552 HydrophobicContact CD1-CG2 3.32Å; I62-V552 HydrophobicContact CG1-CG2 3.84Å; I62-S555 WeakPolarHBondContact CG2-OG 3.4Å |
| 63 | A | 95.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 26% | 0.264 | C | S | . | . | I | π-helix | trans | -60.2 | -51 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | P59 P60 L67 D68 M470 L473 R474 | P59-A63 PolarHBondContact O-N 2.98Å; P59-A63 VanDerWaalsContact O-N 3.12Å; P60-A63 WeakPolarHBondContact O-CB 3.17Å; P60-A63 PolarHBondContact O-N 3.23Å; A63-L67 PolarHBondContact O-N 2.9Å; A63-D68 VanDerWaalsContact O-CB 3.29Å; A63-D68 WeakPolarHBondContact O-CB 3.5Å; A63-D68 PolarHBondContact O-N 2.94Å; A63-M470 HydrophobicContact CB-CB 4.49Å; A63-M470 HydrophobicContact CB-CG 4.48Å; A63-L473 HydrophobicContact CB-CB 3.86Å; A63-L473 HydrophobicContact CB-CD1 4.11Å; A63-R474 HydrophobicContact CB-CG 3.8Å |
| 64 | D | 92.9 | Very high | 89.9 | Confident | 52 Ų | 52 | 49.9 Ų | 49.9 | 28% | 0.278 | 26% | 0.264 | S | S | . | . | I | π-helix | trans | -84.4 | -29.2 | -165.4 | -69.7 | -4.6 | 0 | 0 | 0 | 114.7 | P60 Q61 N71 R474 | P60-D64 WeakPolarHBondContact O-CB 3.39Å; P60-D64 PolarHBondContact O-N 3.23Å; Q61-D64 PolarHBondContact O-N 3.33Å; D64-N71 PolarHBondContact O-ND2 3.16Å; D64-R474 IonicContact OD1-CZ 2.85Å; D64-R474 IonicContact OD1-NE 4Å; D64-R474 PolarHBondContact OD1-NE 3.36Å; D64-R474 IonicContact OD1-NH2 3.99Å; D64-R474 PolarHBondContact OD1-NH2 2.78Å |
| 65 | L | 93.3 | Very high | 89.2 | Confident | 9 Ų | 9 | 55 Ų | 55 | 5% | 0.047 | 30% | 0.299 | C | S | . | . | I | π-helix | trans | -99.6 | -33.6 | -178.2 | -55.6 | -179.3 | 0 | 0 | 0 | 113.2 | Q61 R74 Y76 W80 R88 | Q61-L65 HydrophobicContact CB-CD1 4.24Å; Q61-L65 WeakPolarHBondContact O-CB 3.38Å; Q61-L65 WeakPolarHBondContact O-CG 3.37Å; Q61-L65 PolarHBondContact O-N 3.03Å; L65-R74 HydrophobicContact CD2-CB 3.82Å; L65-R74 HydrophobicContact CD2-CG 4.07Å; L65-Y76 HydrophobicContact CB-CE1 4.12Å; L65-Y76 HydrophobicContact CD1-CD1 4.14Å; L65-Y76 HydrophobicContact CD1-CE1 4.47Å; L65-Y76 HydrophobicContact CD2-CD1 4.11Å; L65-Y76 HydrophobicContact CD2-CE1 4.04Å; L65-Y76 HydrophobicContact CG-CE1 4.44Å; L65-W80 HydrophobicContact CB-CH2 3.61Å; L65-W80 HydrophobicContact CB-CZ2 3.75Å; L65-W80 HydrophobicContact CB-CZ3 4.48Å; L65-W80 HydrophobicContact CD1-CZ2 3.91Å; L65-R88 WeakPolarHBondContact O-CD 3.48Å; L65-R88 PolarHBondContact O-NE 2.86Å; L65-R88 VanDerWaalsContact O-NE 3.09Å |
| 66 | L | 93.6 | Very high | 88.7 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 30% | 0.301 | C | S | . | . | I | π-helix | trans | -99.1 | -55.6 | -178.1 | -172.7 | 65 | 0 | 0 | 0 | 112.5 | I62 W80 L84 R88 L556 L559 | I62-L66 HydrophobicContact CG2-CD2 4.33Å; I62-L66 VanDerWaalsContact O-CB 3.31Å; I62-L66 WeakPolarHBondContact O-CB 3.4Å; I62-L66 PolarHBondContact O-N 2.64Å; L66-W80 HydrophobicContact CB-CH2 4.38Å; L66-W80 HydrophobicContact CD1-CZ3 4.35Å; L66-L84 HydrophobicContact CD1-CD1 4.4Å; L66-R88 VanDerWaalsContact O-CD 3.27Å; L66-R88 WeakPolarHBondContact O-CD 3.32Å; L66-R88 PolarHBondContact O-NE 2.96Å; L66-L556 HydrophobicContact CD1-CD2 3.99Å; L66-L556 HydrophobicContact CD2-CD2 3.88Å; L66-L556 HydrophobicContact CD2-CG 4.27Å; L66-L559 HydrophobicContact CD1-CD2 4.25Å |
| 67 | L | 94.3 | Very high | 88.3 | Confident | 3 Ų | 3 | 55 Ų | 55 | 2% | 0.016 | 30% | 0.299 | C | S | . | . | I | π-helix | trans | -88.2 | -36.9 | -169.8 | -62.4 | -176.8 | 0 | 0 | 0 | 115.1 | I62 A63 R69 H92 I466 Y469 M470 L473 S555 L559 | I62-L67 PolarHBondContact O-N 2.87Å; I62-L67 VanDerWaalsContact O-N 3.15Å; A63-L67 PolarHBondContact O-N 2.9Å; L67-R69 PolarHBondContact O-N 2.86Å; L67-H92 PolarHBondContact O-CE1 2.85Å; L67-I466 HydrophobicContact CB-CG2 4.39Å; L67-Y469 HydrophobicContact CD1-CD1 3.88Å; L67-Y469 HydrophobicContact CD1-CE1 4.35Å; L67-M470 HydrophobicContact CB-CG 3.77Å; L67-M470 HydrophobicContact CB-SD 3.88Å; L67-M470 HydrophobicContact CD1-CG 3.95Å; L67-L473 HydrophobicContact CD1-CD1 3.6Å; L67-S555 WeakPolarHBondContact CD2-O 3.24Å; L67-L559 HydrophobicContact CD2-CB 4.14Å; L67-L559 HydrophobicContact CD2-CD1 4.22Å |
| 68 | D | 90.6 | Very high | 87.9 | Confident | 22 Ų | 22 | 56.9 Ų | 56.9 | 12% | 0.118 | 31% | 0.313 | C | S | . | . | trans | -73.2 | 112.3 | -173.8 | -164.7 | -44.4 | 0 | 0 | 0 | 110.9 | A63 L70 N71 R74 R88 M470 R474 | A63-D68 VanDerWaalsContact O-CB 3.29Å; A63-D68 WeakPolarHBondContact O-CB 3.5Å; A63-D68 PolarHBondContact O-N 2.94Å; D68-L70 WeakPolarHBondContact OD1-CA 3.34Å; D68-L70 WeakPolarHBondContact OD1-CB 3.35Å; D68-L70 PolarHBondContact OD1-N 3.23Å; D68-N71 HydrophobicContact CB-CB 4.05Å; D68-N71 PolarHBondContact OD1-N 3.34Å; D68-R74 PolarHBondContact O-NH2 2.97Å; D68-R88 PolarHBondContact O-NH2 2.89Å; D68-M470 HydrophobicContact CB-CE 3.47Å; D68-M470 VanDerWaalsContact CB-CE 3.47Å; D68-M470 WeakPolarHBondContact OD2-CE 3.42Å; D68-R474 IonicContact OD2-CZ 3.17Å; D68-R474 IonicContact OD2-NH1 2.7Å; D68-R474 IonicContact OD2-NH2 3.97Å; D68-R474 PolarHBondContact OD2-NH2 3.38Å | ||
| 69 | R | 86 | Confident | 87.6 | Confident | 130 Ų | 130 | 61.4 Ų | 61.4 | 49% | 0.491 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -67.6 | -38.7 | 173.9 | -176.7 | 177.9 | 178.7 | 157.8 | 5.7 | 112.8 | L67 R74 H92 | L67-R69 PolarHBondContact O-N 2.86Å; R69-R74 PolarHBondContact O-NH2 3.12Å; R69-H92 HydrophobicContact CG-CB 4.15Å; R69-H92 PolarHBondContact NH1-O 3.16Å; R69-H92 PolarHBondContact NH2-O 3.35Å |
| 70 | L | 82.3 | Confident | 87.4 | Confident | 100 Ų | 100 | 60.2 Ų | 60.2 | 52% | 0.524 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -86.2 | -23.7 | -167.2 | -58.2 | -179.8 | 0 | 0 | 0 | 114 | D68 V72 V108 | D68-L70 WeakPolarHBondContact OD1-CA 3.34Å; D68-L70 WeakPolarHBondContact OD1-CB 3.35Å; D68-L70 PolarHBondContact OD1-N 3.23Å; L70-V72 WeakPolarHBondContact O-CG2 3.22Å; L70-V72 PolarHBondContact O-N 2.88Å; L70-V108 HydrophobicContact CD1-CB 3.97Å; L70-V108 HydrophobicContact CD1-CG1 3.73Å; L70-V108 HydrophobicContact CD1-CG2 4.06Å |
| 71 | N | 80.8 | Confident | 87.4 | Confident | 38 Ų | 38 | 59.9 Ų | 59.9 | 20% | 0.203 | 33% | 0.328 | C | S | . | . | trans | -54.8 | 109.3 | 177.1 | -178.1 | 8.5 | 0 | 0 | 0 | 110.8 | D64 D68 N73 R74 | D64-N71 PolarHBondContact O-ND2 3.16Å; D68-N71 HydrophobicContact CB-CB 4.05Å; D68-N71 PolarHBondContact OD1-N 3.34Å; N71-N73 PolarHBondContact OD1-N 3.24Å; N71-N73 VanDerWaalsContact OD1-N 3.1Å; N71-R74 HydrophobicContact CB-CG 4.36Å; N71-R74 PolarHBondContact O-NH1 2.88Å; N71-R74 PolarHBondContact O-NH2 2.81Å | ||
| 72 | V | 71.5 | Confident | 87.5 | Confident | 129 Ų | 129 | 63.3 Ų | 63.3 | 78% | 0.782 | 35% | 0.348 | S | S | * | . | trans | -81.9 | -34.3 | 179.6 | -171.9 | 0 | 0 | 0 | 0 | 110.8 | L70 R74 | L70-V72 WeakPolarHBondContact O-CG2 3.22Å; L70-V72 PolarHBondContact O-N 2.88Å; V72-R74 PolarHBondContact O-N 2.93Å | ||
| 73 | N | 75.8 | Confident | 87.5 | Confident | 142 Ų | 142 | 66 Ų | 66 | 76% | 0.759 | 37% | 0.366 | S | S | * | . | trans | -96.9 | 53.9 | -169 | -63.2 | -9.8 | 0 | 0 | 0 | 111.7 | N71 S75 | N71-N73 PolarHBondContact OD1-N 3.24Å; N71-N73 VanDerWaalsContact OD1-N 3.1Å; N73-S75 PolarHBondContact O-N 3.42Å; N73-S75 VanDerWaalsContact O-N 3.09Å | ||
| 74 | R | 82.2 | Confident | 87.6 | Confident | 55 Ų | 55 | 66 Ų | 66 | 21% | 0.208 | 37% | 0.366 | C | S | . | . | trans | -71.3 | 103.3 | 177.8 | -68.7 | -174.3 | -164 | 79.9 | 10.3 | 111 | L65 D68 R69 N71 V72 Y76 | L65-R74 HydrophobicContact CD2-CB 3.82Å; L65-R74 HydrophobicContact CD2-CG 4.07Å; D68-R74 PolarHBondContact O-NH2 2.97Å; R69-R74 PolarHBondContact O-NH2 3.12Å; N71-R74 HydrophobicContact CB-CG 4.36Å; N71-R74 PolarHBondContact O-NH1 2.88Å; N71-R74 PolarHBondContact O-NH2 2.81Å; V72-R74 PolarHBondContact O-N 2.93Å; R74-Y76 HydrophobicContact CB-CD2 4.17Å; R74-Y76 HydrophobicContact CB-CE2 3.6Å; R74-Y76 WeakPolarHBondContact CD-OH 3.37Å; R74-Y76 PolarHBondContact O-N 3.04Å | ||
| 75 | S | 81.6 | Confident | 87.7 | Confident | 106 Ų | 106 | 66.2 Ų | 66.2 | 74% | 0.741 | 37% | 0.367 | S | S | * | . | trans | -81.7 | 109.4 | 167.3 | -169.6 | 0 | 0 | 0 | 0 | 109.6 | N73 | N73-S75 PolarHBondContact O-N 3.42Å; N73-S75 VanDerWaalsContact O-N 3.09Å | ||
| 76 | Y | 82.6 | Confident | 87.9 | Confident | 75 Ų | 75 | 67.8 Ų | 67.8 | 29% | 0.294 | 38% | 0.382 | S | S | . | . | trans | -94 | 130.8 | 175 | -65.5 | -83 | 0 | 0 | 0 | 109.8 | L65 R74 C78 W80 | L65-Y76 HydrophobicContact CB-CE1 4.12Å; L65-Y76 HydrophobicContact CD1-CD1 4.14Å; L65-Y76 HydrophobicContact CD1-CE1 4.47Å; L65-Y76 HydrophobicContact CD2-CD1 4.11Å; L65-Y76 HydrophobicContact CD2-CE1 4.04Å; L65-Y76 HydrophobicContact CG-CE1 4.44Å; R74-Y76 HydrophobicContact CB-CD2 4.17Å; R74-Y76 HydrophobicContact CB-CE2 3.6Å; R74-Y76 WeakPolarHBondContact CD-OH 3.37Å; R74-Y76 PolarHBondContact O-N 3.04Å; Y76-C78 WeakPolarHBondContact CB-O 3.29Å; Y76-C78 PolarHBondContact O-N 2.82Å; Y76-W80 AromaticContact CD1-CD1 3.71Å; Y76-W80 AromaticContact CD1-CD2 3.83Å; Y76-W80 HydrophobicContact CD1-CD2 3.83Å; Y76-W80 AromaticContact CD1-CE2 3.67Å; Y76-W80 AromaticContact CD1-CG 3.9Å; Y76-W80 HydrophobicContact CD1-CG 3.9Å; Y76-W80 HydrophobicContact CD1-CZ2 4.26Å; Y76-W80 AromaticContact CD1-NE1 3.59Å; Y76-W80 AromaticContact CE1-CD2 3.64Å; Y76-W80 HydrophobicContact CE1-CD2 3.64Å; Y76-W80 AromaticContact CE1-CE2 3.76Å; Y76-W80 AromaticContact CE1-CE3 3.9Å; Y76-W80 HydrophobicContact CE1-CE3 3.9Å; Y76-W80 HydrophobicContact CE1-CG 4.05Å; Y76-W80 HydrophobicContact CE1-CH2 4.38Å; Y76-W80 HydrophobicContact CE1-CZ2 4.14Å; Y76-W80 HydrophobicContact CE1-CZ3 4.26Å | ||
| 77 | S | 79.8 | Confident | 88.1 | Confident | 98 Ų | 98 | 67.9 Ų | 67.9 | 69% | 0.685 | 38% | 0.382 | S | S | * | . | S | Bend | trans | -65.8 | -20.8 | 175.5 | 53.4 | 0 | 0 | 0 | 0 | 113.6 | ||
| 78 | C | 85.5 | Confident | 88.2 | Confident | 54 Ų | 54 | 68.7 Ų | 68.7 | 37% | 0.365 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -160.2 | 164.7 | -177.2 | 55 | 0 | 0 | 0 | 0 | 110.1 | Y76 W80 | Y76-C78 WeakPolarHBondContact CB-O 3.29Å; Y76-C78 PolarHBondContact O-N 2.82Å; C78-W80 PolarHBondContact O-N 3.33Å |
| 79 | V | 87.7 | Confident | 88.5 | Confident | 140 Ų | 140 | 70.1 Ų | 70.1 | 85% | 0.848 | 40% | 0.4 | S | S | * | . | trans | -72 | 111.4 | 177.8 | -178.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 80 | W | 93.4 | Very high | 89.1 | Confident | 6 Ų | 6 | 66.3 Ų | 66.3 | 2% | 0.023 | 39% | 0.392 | C | S | . | . | trans | -67.8 | 148.9 | 175.9 | -78.9 | 24.8 | 0 | 0 | 0 | 111.8 | I53 L57 L65 L66 Y76 C78 L82 L84 L85 | I53-W80 HydrophobicContact CG2-CD2 4.23Å; I53-W80 HydrophobicContact CG2-CG 3.88Å; I53-W80 VanDerWaalsContact CG2-NE1 3.33Å; L57-W80 HydrophobicContact CD1-CH2 4.08Å; L57-W80 HydrophobicContact CD1-CZ2 3.83Å; L57-W80 HydrophobicContact CD2-CZ2 4.11Å; L65-W80 HydrophobicContact CB-CH2 3.61Å; L65-W80 HydrophobicContact CB-CZ2 3.75Å; L65-W80 HydrophobicContact CB-CZ3 4.48Å; L65-W80 HydrophobicContact CD1-CZ2 3.91Å; L66-W80 HydrophobicContact CB-CH2 4.38Å; L66-W80 HydrophobicContact CD1-CZ3 4.35Å; Y76-W80 AromaticContact CD1-CD1 3.71Å; Y76-W80 AromaticContact CD1-CD2 3.83Å; Y76-W80 HydrophobicContact CD1-CD2 3.83Å; Y76-W80 AromaticContact CD1-CE2 3.67Å; Y76-W80 AromaticContact CD1-CG 3.9Å; Y76-W80 HydrophobicContact CD1-CG 3.9Å; Y76-W80 HydrophobicContact CD1-CZ2 4.26Å; Y76-W80 AromaticContact CD1-NE1 3.59Å; Y76-W80 AromaticContact CE1-CD2 3.64Å; Y76-W80 HydrophobicContact CE1-CD2 3.64Å; Y76-W80 AromaticContact CE1-CE2 3.76Å; Y76-W80 AromaticContact CE1-CE3 3.9Å; Y76-W80 HydrophobicContact CE1-CE3 3.9Å; Y76-W80 HydrophobicContact CE1-CG 4.05Å; Y76-W80 HydrophobicContact CE1-CH2 4.38Å; Y76-W80 HydrophobicContact CE1-CZ2 4.14Å; Y76-W80 HydrophobicContact CE1-CZ3 4.26Å; C78-W80 PolarHBondContact O-N 3.33Å; W80-L82 PolarHBondContact O-N 2.83Å; W80-L84 HydrophobicContact CD2-CD2 3.97Å; W80-L84 HydrophobicContact CE3-CD2 3.48Å; W80-L84 VanDerWaalsContact CE3-CD2 3.48Å; W80-L84 HydrophobicContact CE3-CG 3.87Å; W80-L84 HydrophobicContact CZ3-CD2 3.87Å; W80-L84 HydrophobicContact CZ3-CG 4.2Å; W80-L85 HydrophobicContact CB-CD1 4.19Å; W80-L85 HydrophobicContact CB-CD2 3.95Å; W80-L85 HydrophobicContact CB-CG 3.93Å; W80-L85 HydrophobicContact CE3-CD2 4.09Å | ||
| 81 | P | 95.4 | Very high | 89.8 | Confident | 25 Ų | 25 | 61.6 Ų | 61.6 | 16% | 0.162 | 37% | 0.367 | C | S | . | . | trans | -60.6 | 137.4 | 178.3 | -21.1 | 32.2 | 0 | 0 | 0 | 111.6 | R49 I53 S83 L84 L85 | R49-P81 HydrophobicContact CB-CB 4.46Å; R49-P81 HydrophobicContact CB-CG 3.97Å; R49-P81 VanDerWaalsContact O-CG 3.29Å; R49-P81 WeakPolarHBondContact O-CG 3.28Å; I53-P81 HydrophobicContact CG1-CG 4.45Å; P81-S83 PolarHBondContact O-N 3.09Å; P81-S83 VanDerWaalsContact O-N 3.11Å; P81-L84 HydrophobicContact CB-CB 4.43Å; P81-L84 WeakPolarHBondContact O-CB 3.4Å; P81-L84 PolarHBondContact O-N 2.92Å; P81-L85 PolarHBondContact O-N 3.37Å; P81-L85 VanDerWaalsContact O-N 3.08Å | ||
| 82 | L | 95.9 | Very high | 90.5 | Very high | 145 Ų | 145 | 60.9 Ų | 60.9 | 76% | 0.759 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -55.6 | -33.6 | 179.6 | -178.6 | 60.4 | 0 | 0 | 0 | 112.6 | W80 L85 A86 | W80-L82 PolarHBondContact O-N 2.83Å; L82-L85 PolarHBondContact O-N 3.37Å; L82-A86 WeakPolarHBondContact O-CB 3.42Å; L82-A86 PolarHBondContact O-N 2.85Å |
| 83 | S | 97.3 | Very high | 91.6 | Very high | 56 Ų | 56 | 58.1 Ų | 58.1 | 39% | 0.392 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -66.8 | -34.3 | 175.5 | 52.6 | 0 | 0 | 0 | 0 | 113.7 | W50 P81 F87 | W50-S83 PolarHBondContact NE1-OG 3.39Å; P81-S83 PolarHBondContact O-N 3.09Å; P81-S83 VanDerWaalsContact O-N 3.11Å; S83-F87 VanDerWaalsContact O-CB 3.25Å; S83-F87 WeakPolarHBondContact O-CB 3.46Å; S83-F87 PolarHBondContact O-N 2.91Å |
| 84 | L | 96.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -72.7 | -42.1 | 175.2 | 179.3 | 60 | 0 | 0 | 0 | 110.9 | W50 L54 L66 W80 P81 F87 R88 L556 | W50-L84 HydrophobicContact CD2-CB 4.14Å; W50-L84 HydrophobicContact CD2-CD1 3.87Å; W50-L84 HydrophobicContact CE3-CD1 3.85Å; W50-L84 HydrophobicContact CG-CB 4.24Å; W50-L84 HydrophobicContact CG-CD1 4.42Å; W50-L84 HydrophobicContact CH2-CD1 4.34Å; W50-L84 HydrophobicContact CZ2-CB 4.28Å; W50-L84 HydrophobicContact CZ2-CD1 4.36Å; W50-L84 HydrophobicContact CZ3-CD1 4.09Å; L54-L84 HydrophobicContact CD1-CD1 4.48Å; L54-L84 HydrophobicContact CD2-CD2 3.93Å; L54-L84 HydrophobicContact CG-CD2 4.19Å; L66-L84 HydrophobicContact CD1-CD1 4.4Å; W80-L84 HydrophobicContact CD2-CD2 3.97Å; W80-L84 HydrophobicContact CE3-CD2 3.48Å; W80-L84 VanDerWaalsContact CE3-CD2 3.48Å; W80-L84 HydrophobicContact CE3-CG 3.87Å; W80-L84 HydrophobicContact CZ3-CD2 3.87Å; W80-L84 HydrophobicContact CZ3-CG 4.2Å; P81-L84 HydrophobicContact CB-CB 4.43Å; P81-L84 WeakPolarHBondContact O-CB 3.4Å; P81-L84 PolarHBondContact O-N 2.92Å; L84-F87 HydrophobicContact CD1-CD1 4.43Å; L84-R88 WeakPolarHBondContact O-CB 3.49Å; L84-R88 PolarHBondContact O-N 2.84Å; L84-L556 HydrophobicContact CD1-CD2 4.27Å |
| 85 | L | 95.3 | Very high | 93.3 | Very high | 57 Ų | 57 | 50.7 Ų | 50.7 | 30% | 0.298 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -63.6 | -41.9 | 174.8 | -66 | 174.2 | 0 | 0 | 0 | 111.4 | W80 P81 L82 A89 | W80-L85 HydrophobicContact CB-CD1 4.19Å; W80-L85 HydrophobicContact CB-CD2 3.95Å; W80-L85 HydrophobicContact CB-CG 3.93Å; W80-L85 HydrophobicContact CE3-CD2 4.09Å; P81-L85 PolarHBondContact O-N 3.37Å; P81-L85 VanDerWaalsContact O-N 3.08Å; L82-L85 PolarHBondContact O-N 3.37Å; L85-A89 VanDerWaalsContact O-CB 3.24Å; L85-A89 WeakPolarHBondContact O-CB 3.34Å; L85-A89 PolarHBondContact O-N 3.08Å |
| 86 | A | 97.1 | Very high | 93.8 | Very high | 43 Ų | 43 | 46.7 Ų | 46.7 | 36% | 0.355 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -65.9 | -49.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L82 R88 A89 T90 | L82-A86 WeakPolarHBondContact O-CB 3.42Å; L82-A86 PolarHBondContact O-N 2.85Å; A86-R88 VanDerWaalsContact C-N 3.29Å; A86-R88 PolarHBondContact O-N 2.87Å; A86-A89 PolarHBondContact O-N 3.33Å; A86-T90 WeakPolarHBondContact O-CB 3.38Å; A86-T90 PolarHBondContact O-N 2.84Å; A86-T90 PolarHBondContact O-OG1 2.86Å; A86-T90 VanDerWaalsContact O-OG1 3.04Å |
| 87 | F | 98.3 | Very high | 94.1 | Very high | 1 Ų | 1 | 47.4 Ų | 47.4 | 0% | 0.004 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -49.3 | -51.7 | 173.7 | 166.7 | -102 | 0 | 0 | 0 | 111.5 | F22 Y26 I29 W50 S83 L84 A91 L556 L559 L560 | F22-F87 HydrophobicContact CE2-CD2 4.04Å; F22-F87 AromaticContact CZ-CD2 3.68Å; F22-F87 HydrophobicContact CZ-CD2 3.68Å; F22-F87 HydrophobicContact CZ-CE2 4.05Å; F22-F87 HydrophobicContact CZ-CG 4.45Å; F22-F87 WeakPolarHBondContact CZ-O 3.4Å; Y26-F87 AromaticContact CD1-CD2 3.56Å; Y26-F87 HydrophobicContact CD1-CD2 3.56Å; Y26-F87 AromaticContact CD1-CE2 3.72Å; Y26-F87 HydrophobicContact CD1-CE2 3.72Å; Y26-F87 AromaticContact CD2-CD2 3.71Å; Y26-F87 HydrophobicContact CD2-CD2 3.71Å; Y26-F87 HydrophobicContact CD2-CE2 4.05Å; Y26-F87 HydrophobicContact CE1-CB 4.39Å; Y26-F87 AromaticContact CE1-CD2 3.59Å; Y26-F87 HydrophobicContact CE1-CD2 3.59Å; Y26-F87 HydrophobicContact CE1-CE2 4.23Å; Y26-F87 HydrophobicContact CE1-CG 4.29Å; Y26-F87 AromaticContact CE2-CD2 3.76Å; Y26-F87 HydrophobicContact CE2-CD2 3.76Å; Y26-F87 AromaticContact CG-CD2 3.62Å; Y26-F87 HydrophobicContact CG-CD2 3.62Å; Y26-F87 AromaticContact CG-CE2 3.62Å; Y26-F87 HydrophobicContact CG-CE2 3.62Å; Y26-F87 AromaticContact CZ-CD2 3.69Å; I29-F87 HydrophobicContact CD1-CE2 4.32Å; I29-F87 HydrophobicContact CD1-CZ 4.27Å; W50-F87 HydrophobicContact CH2-CB 3.64Å; W50-F87 AromaticContact CH2-CD1 3.85Å; W50-F87 HydrophobicContact CH2-CD1 3.85Å; W50-F87 AromaticContact CH2-CD2 3.96Å; W50-F87 HydrophobicContact CH2-CD2 3.96Å; W50-F87 HydrophobicContact CH2-CE1 4.48Å; W50-F87 AromaticContact CH2-CG 3.55Å; W50-F87 HydrophobicContact CH2-CG 3.55Å; W50-F87 HydrophobicContact CZ2-CB 3.93Å; W50-F87 HydrophobicContact CZ2-CG 4.34Å; W50-F87 HydrophobicContact CZ3-CD1 4.16Å; W50-F87 HydrophobicContact CZ3-CE1 4.44Å; W50-F87 HydrophobicContact CZ3-CG 4.27Å; S83-F87 VanDerWaalsContact O-CB 3.25Å; S83-F87 WeakPolarHBondContact O-CB 3.46Å; S83-F87 PolarHBondContact O-N 2.91Å; L84-F87 HydrophobicContact CD1-CD1 4.43Å; F87-A91 WeakPolarHBondContact O-CB 3.41Å; F87-A91 PolarHBondContact O-N 3.22Å; F87-L556 HydrophobicContact CD1-CD2 4.33Å; F87-L556 HydrophobicContact CE1-CD2 3.65Å; F87-L556 HydrophobicContact CZ-CD2 4.43Å; F87-L559 HydrophobicContact CD1-CD2 4.34Å; F87-L559 HydrophobicContact CE1-CD2 3.86Å; F87-L560 HydrophobicContact CE2-CD1 4.26Å; F87-L560 HydrophobicContact CE2-CD2 3.8Å; F87-L560 HydrophobicContact CE2-CG 4.17Å; F87-L560 HydrophobicContact CZ-CD1 4.39Å; F87-L560 HydrophobicContact CZ-CD2 4.11Å; F87-L560 HydrophobicContact CZ-CG 4.1Å |
| 88 | R | 96.6 | Very high | 94.5 | Very high | 20 Ų | 20 | 44.4 Ų | 44.4 | 8% | 0.075 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.4 | -46.6 | 179.2 | -178 | -172.7 | 168.2 | -89 | -23.8 | 112.6 | L65 L66 D68 L84 A86 A91 H92 L559 | L65-R88 WeakPolarHBondContact O-CD 3.48Å; L65-R88 PolarHBondContact O-NE 2.86Å; L65-R88 VanDerWaalsContact O-NE 3.09Å; L66-R88 VanDerWaalsContact O-CD 3.27Å; L66-R88 WeakPolarHBondContact O-CD 3.32Å; L66-R88 PolarHBondContact O-NE 2.96Å; D68-R88 PolarHBondContact O-NH2 2.89Å; L84-R88 WeakPolarHBondContact O-CB 3.49Å; L84-R88 PolarHBondContact O-N 2.84Å; A86-R88 VanDerWaalsContact C-N 3.29Å; A86-R88 PolarHBondContact O-N 2.87Å; R88-A91 PolarHBondContact O-N 3.12Å; R88-H92 PolarHBondContact NH2-CD2 3.48Å; R88-H92 PolarHBondContact NH2-NE2 2.86Å; R88-H92 PolarHBondContact O-CD2 3Å; R88-H92 PolarHBondContact O-N 2.83Å; R88-H92 VanDerWaalsContact O-N 3.15Å; R88-L559 HydrophobicContact CB-CD2 4.28Å; R88-L559 HydrophobicContact CG-CD2 4.09Å |
| 89 | A | 96.4 | Very high | 94.3 | Very high | 53 Ų | 53 | 45.4 Ų | 45.4 | 44% | 0.438 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -62.9 | -44.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | L85 A86 H92 A93 | L85-A89 VanDerWaalsContact O-CB 3.24Å; L85-A89 WeakPolarHBondContact O-CB 3.34Å; L85-A89 PolarHBondContact O-N 3.08Å; A86-A89 PolarHBondContact O-N 3.33Å; A89-H92 PolarHBondContact O-N 2.88Å; A89-A93 VanDerWaalsContact O-CB 3.24Å; A89-A93 WeakPolarHBondContact O-CB 3.46Å; A89-A93 PolarHBondContact O-N 2.82Å |
| 90 | T | 98.2 | Very high | 93.6 | Very high | 50 Ų | 50 | 39.9 Ų | 39.9 | 31% | 0.307 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -64.8 | -43.6 | 177.5 | -60 | 0 | 0 | 0 | 0 | 111.8 | F22 A86 H92 A93 L94 | F22-T90 HydrophobicContact CB-CG2 4.42Å; F22-T90 HydrophobicContact CD1-CG2 4.27Å; F22-T90 HydrophobicContact CD2-CG2 3.38Å; F22-T90 HydrophobicContact CE1-CG2 4.4Å; F22-T90 HydrophobicContact CE2-CG2 3.54Å; F22-T90 HydrophobicContact CG-CG2 3.78Å; F22-T90 HydrophobicContact CZ-CG2 4.07Å; A86-T90 WeakPolarHBondContact O-CB 3.38Å; A86-T90 PolarHBondContact O-N 2.84Å; A86-T90 PolarHBondContact O-OG1 2.86Å; A86-T90 VanDerWaalsContact O-OG1 3.04Å; T90-H92 VanDerWaalsContact C-N 3.29Å; T90-H92 PolarHBondContact O-N 3.01Å; T90-A93 PolarHBondContact O-N 2.91Å; T90-A93 VanDerWaalsContact O-N 3.09Å; T90-L94 HydrophobicContact CG2-CD1 3.52Å; T90-L94 HydrophobicContact CG2-CG 3.87Å; T90-L94 WeakPolarHBondContact O-CB 3.42Å; T90-L94 WeakPolarHBondContact O-CG 3.46Å; T90-L94 PolarHBondContact O-N 2.91Å |
| 91 | A | 97.6 | Very high | 92.2 | Very high | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.008 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.2 | -38.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | F22 F87 R88 T95 L559 V563 | F22-A91 HydrophobicContact CE1-CB 3.93Å; F22-A91 HydrophobicContact CZ-CB 3.98Å; F87-A91 WeakPolarHBondContact O-CB 3.41Å; F87-A91 PolarHBondContact O-N 3.22Å; R88-A91 PolarHBondContact O-N 3.12Å; A91-T95 WeakPolarHBondContact O-CG2 3.33Å; A91-T95 PolarHBondContact O-OG1 3.48Å; A91-L559 HydrophobicContact CB-CD2 4.26Å; A91-L559 HydrophobicContact CB-CG 3.89Å; A91-V563 HydrophobicContact CB-CG2 4.13Å |
| 92 | H | 95.4 | Very high | 90.3 | Very high | 23 Ų | 23 | 48.2 Ų | 48.2 | 11% | 0.106 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -76 | -30.9 | 172.6 | -68.4 | -38.4 | 0 | 0 | 0 | 114 | L67 R69 R88 A89 T90 T95 L559 | L67-H92 PolarHBondContact O-CE1 2.85Å; R69-H92 HydrophobicContact CG-CB 4.15Å; R69-H92 PolarHBondContact NH1-O 3.16Å; R69-H92 PolarHBondContact NH2-O 3.35Å; R88-H92 PolarHBondContact NH2-CD2 3.48Å; R88-H92 PolarHBondContact NH2-NE2 2.86Å; R88-H92 PolarHBondContact O-CD2 3Å; R88-H92 PolarHBondContact O-N 2.83Å; R88-H92 VanDerWaalsContact O-N 3.15Å; A89-H92 PolarHBondContact O-N 2.88Å; T90-H92 VanDerWaalsContact C-N 3.29Å; T90-H92 PolarHBondContact O-N 3.01Å; H92-T95 PolarHBondContact O-OG1 3.16Å; H92-T95 VanDerWaalsContact O-OG1 3.08Å; H92-L559 VanDerWaalsContact CE1-CD1 3.47Å; H92-L559 WeakPolarHBondContact CE1-CD1 3.44Å |
| 93 | A | 95.7 | Very high | 88.4 | Confident | 71 Ų | 71 | 45 Ų | 45 | 59% | 0.587 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -78 | -36.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113 | A89 T90 T95 | A89-A93 VanDerWaalsContact O-CB 3.24Å; A89-A93 WeakPolarHBondContact O-CB 3.46Å; A89-A93 PolarHBondContact O-N 2.82Å; T90-A93 PolarHBondContact O-N 2.91Å; T90-A93 VanDerWaalsContact O-N 3.09Å; A93-T95 VanDerWaalsContact C-N 3.26Å; A93-T95 PolarHBondContact O-N 2.91Å |
| 94 | L | 96.8 | Very high | 85.9 | Confident | 21 Ų | 21 | 51.6 Ų | 51.6 | 11% | 0.11 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -78.8 | -2.5 | -179 | -63.4 | 179.5 | 0 | 0 | 0 | 114.1 | L15 N18 L19 F22 T90 T566 | L15-L94 HydrophobicContact CD1-CB 4.37Å; L15-L94 HydrophobicContact CD1-CD2 3.91Å; N18-L94 HydrophobicContact CB-CD1 4.49Å; N18-L94 HydrophobicContact CB-CD2 3.68Å; L19-L94 HydrophobicContact CD2-CB 3.78Å; L19-L94 HydrophobicContact CD2-CD1 4.33Å; L19-L94 HydrophobicContact CG-CB 4.42Å; F22-L94 HydrophobicContact CB-CD1 3.71Å; F22-L94 HydrophobicContact CD1-CD1 3.98Å; F22-L94 HydrophobicContact CG-CD1 3.92Å; T90-L94 HydrophobicContact CG2-CD1 3.52Å; T90-L94 HydrophobicContact CG2-CG 3.87Å; T90-L94 WeakPolarHBondContact O-CB 3.42Å; T90-L94 WeakPolarHBondContact O-CG 3.46Å; T90-L94 PolarHBondContact O-N 2.91Å; L94-T566 VanDerWaalsContact O-CG2 3.31Å; L94-T566 WeakPolarHBondContact O-CG2 3.17Å |
| 95 | T | 94.8 | Very high | 83.6 | Confident | 19 Ų | 19 | 63 Ų | 63 | 12% | 0.117 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -100.1 | 139.1 | -172 | 44.6 | 0 | 0 | 0 | 0 | 113.4 | A91 H92 A93 P562 V563 T566 | A91-T95 WeakPolarHBondContact O-CG2 3.33Å; A91-T95 PolarHBondContact O-OG1 3.48Å; H92-T95 PolarHBondContact O-OG1 3.16Å; H92-T95 VanDerWaalsContact O-OG1 3.08Å; A93-T95 VanDerWaalsContact C-N 3.26Å; A93-T95 PolarHBondContact O-N 2.91Å; T95-P562 HydrophobicContact CG2-CB 3.87Å; T95-V563 HydrophobicContact CG2-CB 4.27Å; T95-V563 HydrophobicContact CG2-CG2 3.73Å; T95-T566 WeakPolarHBondContact CA-OG1 3.39Å |
| 96 | F | 92.8 | Very high | 80.9 | Confident | 23 Ų | 23 | 69.2 Ų | 69.2 | 10% | 0.101 | 37% | 0.372 | C | S | . | . | P | Polyproline II helix | trans | -60.3 | 140.1 | 177.3 | -77.2 | -57.8 | 0 | 0 | 0 | 111.4 | L7 L15 R98 T566 L569 L570 M573 L585 L598 | L7-F96 HydrophobicContact CD1-CE1 4.09Å; L15-F96 HydrophobicContact CD2-CE1 4.17Å; L15-F96 HydrophobicContact CD2-CZ 4.24Å; F96-R98 PolarHBondContact O-N 3.1Å; F96-T566 HydrophobicContact CD2-CG2 3.3Å; F96-T566 HydrophobicContact CE2-CG2 3.51Å; F96-T566 HydrophobicContact CG-CG2 3.91Å; F96-T566 HydrophobicContact CZ-CG2 4.28Å; F96-T566 PolarHBondContact N-OG1 2.88Å; F96-L569 HydrophobicContact CD2-CB 4.47Å; F96-L569 HydrophobicContact CE2-CB 4.27Å; F96-L570 HydrophobicContact CE2-CB 4.02Å; F96-L570 HydrophobicContact CZ-CB 4.13Å; F96-L570 HydrophobicContact CZ-CD1 4.13Å; F96-M573 HydrophobicContact CZ-SD 4.05Å; F96-L585 HydrophobicContact CD1-CD1 4.22Å; F96-L585 HydrophobicContact CD2-CD1 3.4Å; F96-L585 VanDerWaalsContact CD2-CD1 3.4Å; F96-L585 HydrophobicContact CE1-CD1 4.06Å; F96-L585 HydrophobicContact CE2-CD1 3.21Å; F96-L585 HydrophobicContact CG-CD1 3.93Å; F96-L585 HydrophobicContact CZ-CD1 3.57Å; F96-L598 HydrophobicContact CB-CD1 3.88Å |
| 97 | P | 89.3 | Confident | 78.4 | Confident | 90 Ų | 90 | 70.9 Ų | 70.9 | 58% | 0.584 | 37% | 0.373 | S | S | * | . | P | Polyproline II helix | trans | -60.8 | 120.3 | 178.5 | -24.8 | 35 | 0 | 0 | 0 | 112.6 | ||
| 98 | R | 87.3 | Confident | 75.8 | Confident | 35 Ų | 35 | 75.2 Ų | 75.2 | 13% | 0.132 | 40% | 0.399 | C | S | . | . | trans | -89.2 | -7.9 | -178.7 | -64.2 | 167.5 | 71.1 | 80.4 | -7.7 | 113.9 | F96 E467 E565 P591 P595 N597 | F96-R98 PolarHBondContact O-N 3.1Å; R98-E467 IonicContact CZ-OE1 3.26Å; R98-E467 VanDerWaalsContact CZ-OE1 3.27Å; R98-E467 IonicContact NE-OE1 3.87Å; R98-E467 PolarHBondContact NE-OE1 2.98Å; R98-E467 IonicContact NH2-OE1 2.65Å; R98-E467 PolarHBondContact NH2-OE1 3.25Å; R98-E467 IonicContact NH2-OE2 3.76Å; R98-E565 IonicContact CZ-OE2 3.84Å; R98-E565 IonicContact NH1-OE2 2.71Å; R98-E565 PolarHBondContact NH1-OE2 3.07Å; R98-P591 HydrophobicContact CB-CB 4.37Å; R98-P595 PolarHBondContact NH2-O 3.04Å; R98-N597 PolarHBondContact O-ND2 3.22Å | ||
| 99 | T | 81.3 | Confident | 73.4 | Confident | 75 Ų | 75 | 77.5 Ų | 77.5 | 46% | 0.46 | 43% | 0.429 | S | S | . | . | S | Bend | trans | -84.4 | 125.6 | -177.7 | -48.1 | 0 | 0 | 0 | 0 | 111.2 | P587 | T99-P587 VanDerWaalsContact O-CG 3.28Å; T99-P587 WeakPolarHBondContact O-CG 3.24Å |
| 100 | P | 73.9 | Confident | 71.4 | Confident | 23 Ų | 23 | 80 Ų | 80 | 15% | 0.149 | 43% | 0.432 | C | S | . | . | P | Polyproline II helix | trans | -58.5 | 142.8 | 173.7 | -25.6 | 35.4 | 0 | 0 | 0 | 113.1 | P587 | P100-P587 WeakPolarHBondContact CA-O 3.34Å; P100-P587 WeakPolarHBondContact CB-O 3.46Å |
| 101 | Q | 63.5 | Low | 69.6 | Low | 122 Ų | 122 | 81.1 Ų | 81.1 | 57% | 0.57 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | 136.1 | 178 | -65.7 | -180 | 3.6 | 0 | 0 | 110.9 | ||
| 102 | G | 56.8 | Low | 68.2 | Low | 84 Ų | 84 | 83.8 Ų | 83.8 | 87% | 0.866 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 98.7 | -22.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 103 | K | 54.9 | Low | 67.6 | Low | 78 Ų | 78 | 83 Ų | 83 | 34% | 0.339 | 45% | 0.445 | S | S | . | . | trans | -67.2 | 143.3 | 172.1 | -71.9 | -160.8 | 171.3 | -162.3 | 0 | 111.3 | D590 | K103-D590 IonicContact NZ-OD2 2.99Å; K103-D590 PolarHBondContact NZ-OD2 3.34Å | ||
| 104 | R | 44.9 | Very low | 66.9 | Low | 195 Ų | 195 | 85.8 Ų | 85.8 | 74% | 0.736 | 45% | 0.446 | S | S | * | . | trans | -76.2 | 148.7 | 178.9 | -65.8 | -175.7 | 177.8 | -164.5 | 2.5 | 110.3 | H106 E107 | R104-H106 PolarHBondContact O-N 3.31Å; R104-E107 PolarHBondContact N-OE2 3.18Å; R104-E107 PolarHBondContact O-N 3.48Å | ||
| 105 | R | 47.8 | Very low | 66.3 | Low | 238 Ų | 238 | 85.3 Ų | 85.3 | 90% | 0.898 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -14 | -179.7 | -76.8 | -175.4 | 174.9 | 178.3 | -0.9 | 115.3 | ||
| 106 | H | 39.2 | Very low | 65.9 | Low | 188 Ų | 188 | 84.6 Ų | 84.6 | 87% | 0.87 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.5 | -8.4 | -175.2 | -85.3 | -88.7 | 0 | 0 | 0 | 115.4 | R104 V108 | R104-H106 PolarHBondContact O-N 3.31Å; H106-V108 VanDerWaalsContact C-N 3.32Å |
| 107 | E | 44.8 | Very low | 65.5 | Low | 79 Ų | 79 | 88.2 Ų | 88.2 | 37% | 0.369 | 46% | 0.458 | S | S | . | . | trans | -86.9 | 1.3 | 179.8 | -73.8 | 135.3 | -148.4 | 0 | 0 | 113.6 | R104 G109 M110 | R104-E107 PolarHBondContact N-OE2 3.18Å; R104-E107 PolarHBondContact O-N 3.48Å; E107-G109 PolarHBondContact O-N 3.16Å; E107-M110 PolarHBondContact O-N 3.49Å | ||
| 108 | V | 44.1 | Very low | 65.2 | Low | 92 Ų | 92 | 92.9 Ų | 92.9 | 56% | 0.558 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | 73 | 179.3 | -167.3 | 0 | 0 | 0 | 0 | 110.4 | L70 H106 | L70-V108 HydrophobicContact CD1-CB 3.97Å; L70-V108 HydrophobicContact CD1-CG1 3.73Å; L70-V108 HydrophobicContact CD1-CG2 4.06Å; H106-V108 VanDerWaalsContact C-N 3.32Å |
| 109 | G | 46.3 | Very low | 65.1 | Low | 68 Ų | 68 | 94.9 Ų | 94.9 | 70% | 0.701 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -175.7 | -16.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | E107 L111 | E107-G109 PolarHBondContact O-N 3.16Å; G109-L111 PolarHBondContact O-N 2.99Å |
| 110 | M | 53.7 | Low | 65.2 | Low | 104 Ų | 104 | 98 Ų | 98 | 51% | 0.512 | 49% | 0.492 | S | S | . | . | trans | -79.2 | 116.3 | 170.7 | -57 | -157.6 | 81.2 | 0 | 0 | 110.7 | E107 K112 L117 | E107-M110 PolarHBondContact O-N 3.49Å; M110-K112 PolarHBondContact O-N 3.17Å; M110-L117 HydrophobicContact CE-CD2 3.54Å | ||
| 111 | L | 61.2 | Low | 65.8 | Low | 75 Ų | 75 | 99.4 Ų | 99.4 | 39% | 0.393 | 50% | 0.503 | S | S | . | . | S | Bend | trans | -64 | -4.8 | 178.1 | -69.4 | -179.5 | 0 | 0 | 0 | 115.4 | G109 H471 | G109-L111 PolarHBondContact O-N 2.99Å; L111-H471 HydrophobicContact CD2-CB 4.3Å |
| 112 | K | 68.8 | Low | 66.9 | Low | 57 Ų | 57 | 96.6 Ų | 96.6 | 25% | 0.248 | 49% | 0.49 | C | S | . | . | S | Bend | trans | -141.9 | 143.2 | -177.4 | -66.6 | -168.2 | 175.6 | -175 | 0 | 110.6 | M110 F116 K120 F593 | M110-K112 PolarHBondContact O-N 3.17Å; K112-F116 HydrophobicContact CB-CB 4.39Å; K112-F116 HydrophobicContact CD-CB 4.35Å; K112-K120 PolarHBondContact NZ-O 3.49Å; K112-F593 HydrophobicContact CD-CE2 4.29Å; K112-F593 HydrophobicContact CG-CD2 4.13Å; K112-F593 HydrophobicContact CG-CE2 4.03Å |
| 113 | P | 80.8 | Confident | 68.4 | Low | 6 Ų | 6 | 92.6 Ų | 92.6 | 4% | 0.039 | 45% | 0.449 | C | S | . | . | trans | -58 | 154.3 | 169.8 | -21.4 | 30.5 | 0 | 0 | 0 | 112.4 | E115 F116 D590 F593 | P113-E115 HydrophobicContact CB-CG 4.22Å; P113-E115 PolarHBondContact O-N 2.83Å; P113-E115 VanDerWaalsContact O-N 3.08Å; P113-F116 HydrophobicContact CB-CD2 4.22Å; P113-F116 HydrophobicContact CB-CE2 4.48Å; P113-F116 HydrophobicContact CG-CD2 4.24Å; P113-F116 HydrophobicContact CG-CE2 4.28Å; P113-F116 PolarHBondContact O-N 2.93Å; P113-D590 HydrophobicContact CG-CB 3.84Å; P113-F593 HydrophobicContact CG-CB 4.18Å; P113-F593 HydrophobicContact CG-CD1 3.82Å; P113-F593 HydrophobicContact CG-CE1 4.45Å; P113-F593 HydrophobicContact CG-CG 4.15Å | ||
| 114 | E | 82.9 | Confident | 70 | Confident | 130 Ų | 130 | 92 Ų | 92 | 61% | 0.607 | 46% | 0.455 | S | S | * | . | G | 310 helix | trans | -54 | -31.9 | -177.7 | -61.2 | 174.2 | 129.1 | 0 | 0 | 113.2 | F116 L117 | E114-F116 PolarHBondContact O-N 2.99Å; E114-L117 HydrophobicContact CB-CD1 4.09Å; E114-L117 HydrophobicContact CG-CD1 4.41Å; E114-L117 WeakPolarHBondContact O-CB 3.23Å; E114-L117 VanDerWaalsContact O-CG 3.27Å; E114-L117 WeakPolarHBondContact O-CG 3.38Å; E114-L117 PolarHBondContact O-N 3.29Å; E114-L117 VanDerWaalsContact O-N 3.1Å |
| 115 | E | 83.6 | Confident | 72.1 | Confident | 11 Ų | 11 | 87.4 Ų | 87.4 | 5% | 0.051 | 44% | 0.444 | C | S | . | . | G | 310 helix | trans | -63 | -9.5 | 178.9 | 77.6 | -165.7 | 129.8 | 0 | 0 | 114.7 | P113 S123 S124 L125 H140 | P113-E115 HydrophobicContact CB-CG 4.22Å; P113-E115 PolarHBondContact O-N 2.83Å; P113-E115 VanDerWaalsContact O-N 3.08Å; E115-S123 WeakPolarHBondContact O-CA 3.23Å; E115-S123 VanDerWaalsContact OE2-CB 3.23Å; E115-S123 WeakPolarHBondContact OE2-CB 3.27Å; E115-S123 PolarHBondContact OE2-OG 2.63Å; E115-S124 WeakPolarHBondContact CA-OG 3.33Å; E115-S124 PolarHBondContact O-N 3.22Å; E115-L125 HydrophobicContact CB-CB 4.39Å; E115-L125 HydrophobicContact CB-CD1 3.92Å; E115-L125 HydrophobicContact CB-CG 3.77Å; E115-H140 IonicContact OE1-CE1 2.64Å; E115-H140 IonicContact OE1-CG 3.41Å; E115-H140 IonicContact OE1-ND1 3.18Å; E115-H140 PolarHBondContact OE1-ND1 2.94Å |
| 116 | F | 86.6 | Confident | 74.1 | Confident | 3 Ų | 3 | 76.1 Ų | 76.1 | 1% | 0.013 | 40% | 0.401 | C | S | . | . | G | 310 helix | trans | -113.4 | 10.6 | 177.4 | -58.9 | -79.5 | 0 | 0 | 0 | 113.9 | K112 P113 E114 N119 K120 S123 P136 Q139 H140 F593 | K112-F116 HydrophobicContact CB-CB 4.39Å; K112-F116 HydrophobicContact CD-CB 4.35Å; P113-F116 HydrophobicContact CB-CD2 4.22Å; P113-F116 HydrophobicContact CB-CE2 4.48Å; P113-F116 HydrophobicContact CG-CD2 4.24Å; P113-F116 HydrophobicContact CG-CE2 4.28Å; P113-F116 PolarHBondContact O-N 2.93Å; E114-F116 PolarHBondContact O-N 2.99Å; F116-N119 WeakPolarHBondContact CA-O 3.37Å; F116-N119 CarbonylContact O-C 3.55Å; F116-K120 WeakPolarHBondContact O-CA 3.48Å; F116-K120 PolarHBondContact O-N 3.11Å; F116-S123 VanDerWaalsContact CE1-N 3.3Å; F116-P136 HydrophobicContact CD1-CB 4.37Å; F116-P136 HydrophobicContact CE1-CB 3.81Å; F116-P136 HydrophobicContact CZ-CB 4.3Å; F116-P136 VanDerWaalsContact CZ-O 3.3Å; F116-P136 WeakPolarHBondContact CZ-O 3.39Å; F116-Q139 HydrophobicContact CZ-CB 4.5Å; F116-H140 HydrophobicContact CE2-CB 4.09Å; F116-H140 HydrophobicContact CZ-CB 4.26Å; F116-F593 AromaticContact CD2-CE1 3.92Å; F116-F593 HydrophobicContact CD2-CE1 3.92Å; F116-F593 AromaticContact CD2-CZ 3.93Å; F116-F593 HydrophobicContact CD2-CZ 3.93Å; F116-F593 HydrophobicContact CE1-CZ 4.39Å; F116-F593 HydrophobicContact CE2-CD1 4.15Å; F116-F593 AromaticContact CE2-CE1 3.27Å; F116-F593 HydrophobicContact CE2-CE1 3.27Å; F116-F593 AromaticContact CE2-CZ 3.65Å; F116-F593 HydrophobicContact CE2-CZ 3.65Å; F116-F593 HydrophobicContact CG-CZ 4.43Å; F116-F593 AromaticContact CZ-CE1 3.67Å; F116-F593 HydrophobicContact CZ-CE1 3.67Å; F116-F593 AromaticContact CZ-CZ 3.9Å; F116-F593 HydrophobicContact CZ-CZ 3.9Å |
| 117 | L | 83.7 | Confident | 76.3 | Confident | 100 Ų | 100 | 68.9 Ų | 68.9 | 52% | 0.524 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -67 | -51 | -179.9 | -67.4 | 171.5 | 0 | 0 | 0 | 111.9 | M110 E114 | M110-L117 HydrophobicContact CE-CD2 3.54Å; E114-L117 HydrophobicContact CB-CD1 4.09Å; E114-L117 HydrophobicContact CG-CD1 4.41Å; E114-L117 WeakPolarHBondContact O-CB 3.23Å; E114-L117 VanDerWaalsContact O-CG 3.27Å; E114-L117 WeakPolarHBondContact O-CG 3.38Å; E114-L117 PolarHBondContact O-N 3.29Å; E114-L117 VanDerWaalsContact O-N 3.1Å |
| 118 | E | 83.6 | Confident | 78.4 | Confident | 188 Ų | 188 | 70.3 Ų | 70.3 | 88% | 0.879 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -66.9 | -37.6 | 175.3 | -62.2 | 179.6 | 169 | 0 | 0 | 111.9 | ||
| 119 | N | 84.3 | Confident | 80.5 | Confident | 76 Ų | 76 | 67.7 Ų | 67.7 | 41% | 0.406 | 37% | 0.366 | S | S | . | . | trans | -138.9 | 104.7 | -178.7 | -167.5 | -48.5 | 0 | 0 | 0 | 111.6 | F116 S121 Q122 | F116-N119 WeakPolarHBondContact CA-O 3.37Å; F116-N119 CarbonylContact O-C 3.55Å; N119-S121 PolarHBondContact O-N 3.16Å; N119-S121 PolarHBondContact OD1-N 3.42Å; N119-Q122 HydrophobicContact CB-CB 4.1Å; N119-Q122 PolarHBondContact O-N 3.25Å; N119-Q122 VanDerWaalsContact O-N 3.14Å; N119-Q122 PolarHBondContact OD1-N 3.39Å; N119-Q122 VanDerWaalsContact OD1-N 3.15Å | ||
| 120 | K | 83.4 | Confident | 82.6 | Confident | 140 Ų | 140 | 65.6 Ų | 65.6 | 61% | 0.609 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -8.7 | -179.3 | -68.2 | -175.8 | -178.8 | -178.2 | 0 | 115.4 | K112 F116 | K112-K120 PolarHBondContact NZ-O 3.49Å; F116-K120 WeakPolarHBondContact O-CA 3.48Å; F116-K120 PolarHBondContact O-N 3.11Å |
| 121 | S | 86.5 | Confident | 84.5 | Confident | 54 Ų | 54 | 63.2 Ų | 63.2 | 38% | 0.378 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -127.9 | -2.5 | -174.8 | -62.5 | 0 | 0 | 0 | 0 | 114.9 | N119 Q139 | N119-S121 PolarHBondContact O-N 3.16Å; N119-S121 PolarHBondContact OD1-N 3.42Å; S121-Q139 PolarHBondContact O-NE2 3.1Å |
| 122 | Q | 87.4 | Confident | 85.7 | Confident | 63 Ų | 63 | 64.8 Ų | 64.8 | 29% | 0.294 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -142.1 | 116.6 | -174.6 | -62 | -71.5 | -75.6 | 0 | 0 | 110.6 | N119 S124 | N119-Q122 HydrophobicContact CB-CB 4.1Å; N119-Q122 PolarHBondContact O-N 3.25Å; N119-Q122 VanDerWaalsContact O-N 3.14Å; N119-Q122 PolarHBondContact OD1-N 3.39Å; N119-Q122 VanDerWaalsContact OD1-N 3.15Å; Q122-S124 PolarHBondContact O-N 3.08Å |
| 123 | S | 88.8 | Confident | 86.7 | Confident | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 34% | 0.337 | C | S | . | . | trans | -64.5 | 124.3 | 177 | 155.6 | 0 | 0 | 0 | 0 | 110.8 | E115 F116 L125 L126 R131 | E115-S123 WeakPolarHBondContact O-CA 3.23Å; E115-S123 VanDerWaalsContact OE2-CB 3.23Å; E115-S123 WeakPolarHBondContact OE2-CB 3.27Å; E115-S123 PolarHBondContact OE2-OG 2.63Å; F116-S123 VanDerWaalsContact CE1-N 3.3Å; S123-L125 VanDerWaalsContact C-N 3.26Å; S123-L125 PolarHBondContact O-N 3.32Å; S123-L125 PolarHBondContact OG-N 2.98Å; S123-L126 PolarHBondContact OG-N 3.03Å; S123-R131 PolarHBondContact O-NE 2.82Å; S123-R131 PolarHBondContact O-NH2 3.13Å | ||
| 124 | S | 88.1 | Confident | 87.3 | Confident | 66 Ų | 66 | 67 Ų | 67 | 46% | 0.462 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -64 | -31.2 | 171.9 | 63.8 | 0 | 0 | 0 | 0 | 112.6 | E115 Q122 | E115-S124 WeakPolarHBondContact CA-OG 3.33Å; E115-S124 PolarHBondContact O-N 3.22Å; Q122-S124 PolarHBondContact O-N 3.08Å |
| 125 | L | 88.3 | Confident | 87.8 | Confident | 98 Ų | 98 | 69 Ų | 69 | 51% | 0.513 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -79.2 | -21.1 | -175.2 | -59.7 | 178.3 | 0 | 0 | 0 | 114.3 | E115 S123 R143 | E115-L125 HydrophobicContact CB-CB 4.39Å; E115-L125 HydrophobicContact CB-CD1 3.92Å; E115-L125 HydrophobicContact CB-CG 3.77Å; S123-L125 VanDerWaalsContact C-N 3.26Å; S123-L125 PolarHBondContact O-N 3.32Å; S123-L125 PolarHBondContact OG-N 2.98Å; L125-R143 HydrophobicContact CB-CG 4.09Å; L125-R143 PolarHBondContact O-NE 3.36Å; L125-R143 PolarHBondContact O-NH2 3.4Å |
| 126 | L | 89.5 | Confident | 88.2 | Confident | 1 Ų | 1 | 70.2 Ų | 70.2 | 1% | 0.005 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -96.7 | 132.2 | 174.9 | -175.2 | 64 | 0 | 0 | 0 | 110.1 | S123 F130 R131 Q139 R143 F174 | S123-L126 PolarHBondContact OG-N 3.03Å; L126-F130 HydrophobicContact CD1-CB 3.8Å; L126-F130 HydrophobicContact CD1-CD2 4.46Å; L126-F130 HydrophobicContact CD1-CG 4.39Å; L126-F130 HydrophobicContact CD2-CB 4.18Å; L126-F130 HydrophobicContact CG-CB 3.9Å; L126-R131 HydrophobicContact CD2-CG 4.27Å; L126-R131 HydrophobicContact CG-CG 4.4Å; L126-R131 PolarHBondContact O-NE 2.78Å; L126-R131 PolarHBondContact O-NH2 3.41Å; L126-Q139 HydrophobicContact CD2-CB 3.78Å; L126-Q139 HydrophobicContact CD2-CG 4.07Å; L126-R143 HydrophobicContact CB-CB 4.43Å; L126-R143 HydrophobicContact CD1-CB 4.47Å; L126-F174 HydrophobicContact CD1-CD2 3.67Å; L126-F174 HydrophobicContact CD1-CE2 3.63Å; L126-F174 HydrophobicContact CD1-CG 4.18Å; L126-F174 HydrophobicContact CD1-CZ 4.09Å |
| 127 | G | 87 | Confident | 88.5 | Confident | 35 Ų | 35 | 73.7 Ų | 73.7 | 36% | 0.361 | 37% | 0.369 | S | S | . | . | trans | -61.1 | 143 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113 | I129 F130 | G127-I129 VanDerWaalsContact C-N 3.26Å; G127-I129 PolarHBondContact O-N 2.98Å; G127-I129 VanDerWaalsContact O-N 3.14Å; G127-F130 PolarHBondContact O-N 2.96Å | ||
| 128 | H | 87.8 | Confident | 89 | Confident | 109 Ų | 109 | 71.8 Ų | 71.8 | 51% | 0.505 | 36% | 0.356 | S | S | . | . | G | 310 helix | trans | -53.5 | -40.6 | -171 | 63.7 | -65.9 | 0 | 0 | 0 | 113.6 | F130 R131 E210 | H128-F130 PolarHBondContact O-N 3.4Å; H128-R131 WeakPolarHBondContact O-CB 3.21Å; H128-R131 PolarHBondContact O-N 3.5Å; H128-R131 VanDerWaalsContact O-N 3.08Å; H128-E210 IonicContact CE1-OE1 2.74Å; H128-E210 PolarHBondContact CE1-OE1 2.88Å; H128-E210 IonicContact NE2-OE1 3.77Å; H128-E210 PolarHBondContact NE2-OE1 3.09Å |
| 129 | I | 88.6 | Confident | 89.6 | Confident | 38 Ų | 38 | 62.9 Ų | 62.9 | 20% | 0.195 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -57.3 | -30 | 177.7 | 63.7 | -173.5 | 0 | 0 | 0 | 113.7 | G127 L203 T206 L207 | G127-I129 VanDerWaalsContact C-N 3.26Å; G127-I129 PolarHBondContact O-N 2.98Å; G127-I129 VanDerWaalsContact O-N 3.14Å; I129-L203 HydrophobicContact CB-CD1 3.61Å; I129-L203 HydrophobicContact CD1-CD1 3.97Å; I129-L203 HydrophobicContact CG1-CD1 3.89Å; I129-L203 HydrophobicContact CG2-CD1 4.49Å; I129-T206 HydrophobicContact CG2-CG2 4.18Å; I129-L207 HydrophobicContact CD1-CD2 3.68Å |
| 130 | F | 91 | Very high | 90 | Very high | 24 Ų | 24 | 59.8 Ų | 59.8 | 11% | 0.105 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -88.7 | -8.6 | 179.8 | -59 | -71.4 | 0 | 0 | 0 | 113.6 | L126 G127 H128 V134 R173 F174 F177 L203 | L126-F130 HydrophobicContact CD1-CB 3.8Å; L126-F130 HydrophobicContact CD1-CD2 4.46Å; L126-F130 HydrophobicContact CD1-CG 4.39Å; L126-F130 HydrophobicContact CD2-CB 4.18Å; L126-F130 HydrophobicContact CG-CB 3.9Å; G127-F130 PolarHBondContact O-N 2.96Å; H128-F130 PolarHBondContact O-N 3.4Å; F130-V134 WeakPolarHBondContact O-CG2 3.37Å; F130-R173 HydrophobicContact CD1-CG 4.43Å; F130-R173 HydrophobicContact CE1-CG 4.48Å; F130-F174 HydrophobicContact CD1-CB 4.37Å; F130-F174 HydrophobicContact CD1-CD2 4.27Å; F130-F174 HydrophobicContact CD2-CD2 4.07Å; F130-F174 HydrophobicContact CE1-CD2 4.46Å; F130-F174 HydrophobicContact CE2-CD2 4.27Å; F130-F174 HydrophobicContact CG-CD2 4.08Å; F130-F174 HydrophobicContact CZ-CD2 4.47Å; F130-F177 HydrophobicContact CE1-CB 4.09Å; F130-F177 HydrophobicContact CZ-CB 4.15Å; F130-L203 HydrophobicContact CD1-CD2 4.21Å; F130-L203 HydrophobicContact CE1-CD2 3.78Å |
| 131 | R | 91.6 | Very high | 90.6 | Very high | 53 Ų | 53 | 53.3 Ų | 53.3 | 20% | 0.2 | 27% | 0.269 | C | S | . | . | trans | -82.1 | -15.1 | 179.7 | -53.6 | 176.7 | -163.6 | 161.4 | -0.1 | 112.8 | S123 L126 H128 H133 V134 | S123-R131 PolarHBondContact O-NE 2.82Å; S123-R131 PolarHBondContact O-NH2 3.13Å; L126-R131 HydrophobicContact CD2-CG 4.27Å; L126-R131 HydrophobicContact CG-CG 4.4Å; L126-R131 PolarHBondContact O-NE 2.78Å; L126-R131 PolarHBondContact O-NH2 3.41Å; H128-R131 WeakPolarHBondContact O-CB 3.21Å; H128-R131 PolarHBondContact O-N 3.5Å; H128-R131 VanDerWaalsContact O-N 3.08Å; R131-H133 PolarHBondContact O-N 2.72Å; R131-V134 PolarHBondContact O-N 2.92Å; R131-V134 VanDerWaalsContact O-N 3.08Å | ||
| 132 | K | 88.4 | Confident | 91.1 | Very high | 108 Ų | 108 | 50.8 Ų | 50.8 | 47% | 0.47 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | 126.6 | -173.7 | -160.4 | -164.1 | -177.7 | -171.9 | 0 | 111.2 | V134 H170 | K132-V134 PolarHBondContact O-N 2.82Å; K132-H170 PolarHBondContact O-CE1 3.18Å |
| 133 | H | 89.1 | Confident | 91.5 | Very high | 100 Ų | 100 | 51.4 Ų | 51.4 | 46% | 0.463 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64 | 7.1 | -173.7 | -48.1 | -74.4 | 0 | 0 | 0 | 115.6 | R131 H170 Y199 | R131-H133 PolarHBondContact O-N 2.72Å; H133-H170 VanDerWaalsContact CB-CE1 3.44Å; H133-H170 WeakPolarHBondContact CB-CE1 3.36Å; H133-Y199 HydrophobicContact CB-CE1 4.41Å; H133-Y199 AromaticContact CD2-CD1 3.64Å; H133-Y199 AromaticContact CD2-CE1 3.16Å; H133-Y199 WeakPolarHBondContact CD2-CE1 3.36Å; H133-Y199 AromaticContact CD2-CZ 3.71Å; H133-Y199 AromaticContact CG-CE1 3.71Å; H133-Y199 AromaticContact CG-CZ 3.77Å; H133-Y199 AromaticContact NE2-CE1 3.45Å; H133-Y199 WeakPolarHBondContact NE2-CE1 3.4Å |
| 134 | V | 92.6 | Very high | 91.8 | Very high | 10 Ų | 10 | 52.7 Ų | 52.7 | 6% | 0.061 | 26% | 0.261 | C | S | . | . | trans | -101.3 | 119.5 | -179.7 | -169.3 | 0 | 0 | 0 | 0 | 110.7 | F130 R131 K132 K138 Q139 I142 H170 | F130-V134 WeakPolarHBondContact O-CG2 3.37Å; R131-V134 PolarHBondContact O-N 2.92Å; R131-V134 VanDerWaalsContact O-N 3.08Å; K132-V134 PolarHBondContact O-N 2.82Å; V134-K138 HydrophobicContact CG1-CB 3.76Å; V134-K138 HydrophobicContact CG1-CG 3.98Å; V134-Q139 HydrophobicContact CB-CG 3.84Å; V134-Q139 HydrophobicContact CG1-CB 4.35Å; V134-Q139 HydrophobicContact CG1-CG 3.57Å; V134-Q139 PolarHBondContact O-NE2 3.13Å; V134-I142 HydrophobicContact CG1-CD1 3.95Å; V134-H170 HydrophobicContact CG2-CB 4.37Å | ||
| 135 | K | 93.7 | Very high | 92.3 | Very high | 172 Ų | 172 | 49.6 Ų | 49.6 | 75% | 0.748 | 24% | 0.239 | S | C | * | . | trans | -62.5 | 149.1 | 173.3 | -69.3 | -173.7 | 179.4 | -178.3 | 0 | 110.9 | K137 K138 Q139 | K135-K137 PolarHBondContact O-N 2.72Å; K135-K138 WeakPolarHBondContact O-CA 3.48Å; K135-K138 PolarHBondContact O-N 3.35Å; K135-Q139 PolarHBondContact O-N 3.24Å; K135-Q139 VanDerWaalsContact O-N 3.11Å | ||
| 136 | P | 92.6 | Very high | 92.7 | Very high | 36 Ų | 36 | 44.9 Ų | 44.9 | 23% | 0.234 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -52.2 | -46.9 | -171.8 | -29.2 | 36.5 | 0 | 0 | 0 | 114.4 | F116 K138 Q139 H140 F593 | F116-P136 HydrophobicContact CD1-CB 4.37Å; F116-P136 HydrophobicContact CE1-CB 3.81Å; F116-P136 HydrophobicContact CZ-CB 4.3Å; F116-P136 VanDerWaalsContact CZ-O 3.3Å; F116-P136 WeakPolarHBondContact CZ-O 3.39Å; P136-K138 VanDerWaalsContact C-N 3.31Å; P136-K138 PolarHBondContact O-N 2.8Å; P136-Q139 WeakPolarHBondContact O-CB 3.37Å; P136-Q139 PolarHBondContact O-N 2.85Å; P136-H140 PolarHBondContact O-N 2.56Å; P136-F593 HydrophobicContact CB-CZ 3.86Å |
| 137 | K | 92.7 | Very high | 93.1 | Very high | 76 Ų | 76 | 46.8 Ų | 46.8 | 33% | 0.33 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -51 | -46.9 | 172.7 | 172.5 | 175.8 | 173.4 | 164.2 | 0 | 113 | K135 Q139 H140 E141 F593 S594 | K135-K137 PolarHBondContact O-N 2.72Å; K137-Q139 VanDerWaalsContact C-N 3.32Å; K137-Q139 PolarHBondContact O-N 3.13Å; K137-H140 WeakPolarHBondContact O-CB 3.34Å; K137-H140 PolarHBondContact O-N 3.2Å; K137-E141 WeakPolarHBondContact CE-OE1 3.33Å; K137-E141 IonicContact NZ-OE1 3.15Å; K137-E141 WeakPolarHBondContact O-CG 3.34Å; K137-E141 PolarHBondContact O-N 2.8Å; K137-E141 VanDerWaalsContact O-N 3.1Å; K137-F593 HydrophobicContact CB-CE1 4.4Å; K137-F593 WeakPolarHBondContact CD-O 3.22Å; K137-F593 WeakPolarHBondContact CG-O 3.45Å; K137-S594 WeakPolarHBondContact CE-OG 3.39Å; K137-S594 PolarHBondContact NZ-OG 3.42Å |
| 138 | K | 94.1 | Very high | 93.6 | Very high | 61 Ų | 61 | 45.3 Ų | 45.3 | 27% | 0.265 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -73.5 | -23 | -178.6 | -168.8 | 162.5 | -176.7 | 163.8 | 0 | 112.3 | V134 K135 P136 I142 | V134-K138 HydrophobicContact CG1-CB 3.76Å; V134-K138 HydrophobicContact CG1-CG 3.98Å; K135-K138 WeakPolarHBondContact O-CA 3.48Å; K135-K138 PolarHBondContact O-N 3.35Å; P136-K138 VanDerWaalsContact C-N 3.31Å; P136-K138 PolarHBondContact O-N 2.8Å; K138-I142 HydrophobicContact CG-CD1 3.81Å; K138-I142 HydrophobicContact CG-CG1 4.2Å; K138-I142 WeakPolarHBondContact O-CB 3.37Å; K138-I142 VanDerWaalsContact O-CD1 3.32Å; K138-I142 WeakPolarHBondContact O-CD1 3.17Å; K138-I142 WeakPolarHBondContact O-CG1 3.47Å; K138-I142 PolarHBondContact O-N 3.46Å |
| 139 | Q | 95.5 | Very high | 94 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -65.3 | -46.9 | 170.9 | -60.7 | 174.1 | 26 | 0 | 0 | 110.9 | F116 S121 L126 V134 K135 P136 K137 I142 R143 | F116-Q139 HydrophobicContact CZ-CB 4.5Å; S121-Q139 PolarHBondContact O-NE2 3.1Å; L126-Q139 HydrophobicContact CD2-CB 3.78Å; L126-Q139 HydrophobicContact CD2-CG 4.07Å; V134-Q139 HydrophobicContact CB-CG 3.84Å; V134-Q139 HydrophobicContact CG1-CB 4.35Å; V134-Q139 HydrophobicContact CG1-CG 3.57Å; V134-Q139 PolarHBondContact O-NE2 3.13Å; K135-Q139 PolarHBondContact O-N 3.24Å; K135-Q139 VanDerWaalsContact O-N 3.11Å; P136-Q139 WeakPolarHBondContact O-CB 3.37Å; P136-Q139 PolarHBondContact O-N 2.85Å; K137-Q139 VanDerWaalsContact C-N 3.32Å; K137-Q139 PolarHBondContact O-N 3.13Å; Q139-I142 PolarHBondContact O-N 3.12Å; Q139-R143 WeakPolarHBondContact O-CB 3.24Å; Q139-R143 PolarHBondContact O-N 3.41Å |
| 140 | H | 94.1 | Very high | 94.4 | Very high | 12 Ų | 12 | 40.5 Ų | 40.5 | 6% | 0.056 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -58 | -50.8 | 174.2 | 175.7 | 75.5 | 0 | 0 | 0 | 111.5 | E115 F116 P136 K137 I142 R143 S144 F589 D590 F593 | E115-H140 IonicContact OE1-CE1 2.64Å; E115-H140 IonicContact OE1-CG 3.41Å; E115-H140 IonicContact OE1-ND1 3.18Å; E115-H140 PolarHBondContact OE1-ND1 2.94Å; F116-H140 HydrophobicContact CE2-CB 4.09Å; F116-H140 HydrophobicContact CZ-CB 4.26Å; P136-H140 PolarHBondContact O-N 2.56Å; K137-H140 WeakPolarHBondContact O-CB 3.34Å; K137-H140 PolarHBondContact O-N 3.2Å; H140-I142 PolarHBondContact O-N 3.5Å; H140-R143 PolarHBondContact O-N 3.07Å; H140-S144 WeakPolarHBondContact O-CB 3.36Å; H140-S144 PolarHBondContact O-N 3.12Å; H140-S144 PolarHBondContact O-OG 3.13Å; H140-F589 WeakPolarHBondContact NE2-CA 3.2Å; H140-D590 PolarHBondContact NE2-N 2.96Å; H140-F593 HydrophobicContact CB-CD1 4.01Å; H140-F593 HydrophobicContact CB-CE1 3.89Å |
| 141 | E | 96.1 | Very high | 94.7 | Very high | 3 Ų | 3 | 43.3 Ų | 43.3 | 1% | 0.014 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59.2 | -46.3 | -179.9 | -68.8 | 170.3 | 158.7 | 0 | 0 | 112.6 | K137 L145 L376 H377 F589 S594 | K137-E141 WeakPolarHBondContact CE-OE1 3.33Å; K137-E141 IonicContact NZ-OE1 3.15Å; K137-E141 WeakPolarHBondContact O-CG 3.34Å; K137-E141 PolarHBondContact O-N 2.8Å; K137-E141 VanDerWaalsContact O-N 3.1Å; E141-L145 WeakPolarHBondContact O-CB 3.25Å; E141-L145 PolarHBondContact O-N 3.37Å; E141-L376 HydrophobicContact CB-CD1 4.1Å; E141-L376 HydrophobicContact CB-CD2 4.27Å; E141-H377 IonicContact OE1-CE1 3.79Å; E141-H377 PolarHBondContact OE1-CE1 2.79Å; E141-H377 IonicContact OE1-NE2 2.97Å; E141-H377 PolarHBondContact OE1-NE2 2.88Å; E141-H377 IonicContact OE2-CD2 3.94Å; E141-H377 IonicContact OE2-CE1 2.85Å; E141-H377 IonicContact OE2-NE2 3.89Å; E141-H377 PolarHBondContact OE2-NE2 2.92Å; E141-F589 HydrophobicContact CB-CE1 4.18Å; E141-F589 HydrophobicContact CB-CE2 4.43Å; E141-F589 HydrophobicContact CB-CZ 4.06Å; E141-F589 HydrophobicContact CG-CD1 4.42Å; E141-F589 HydrophobicContact CG-CD2 4.1Å; E141-F589 HydrophobicContact CG-CE1 4.32Å; E141-F589 HydrophobicContact CG-CE2 3.99Å; E141-F589 HydrophobicContact CG-CG 4.33Å; E141-F589 HydrophobicContact CG-CZ 4.11Å; E141-S594 WeakPolarHBondContact OE1-CB 3.38Å; E141-S594 PolarHBondContact OE1-OG 2.82Å |
| 142 | I | 96.6 | Very high | 94.8 | Very high | 2 Ų | 2 | 40.9 Ų | 40.9 | 1% | 0.01 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.8 | -45.3 | 177.8 | -72.9 | 164.6 | 0 | 0 | 0 | 111.2 | V134 K138 Q139 H140 G146 H170 L171 F174 L376 | V134-I142 HydrophobicContact CG1-CD1 3.95Å; K138-I142 HydrophobicContact CG-CD1 3.81Å; K138-I142 HydrophobicContact CG-CG1 4.2Å; K138-I142 WeakPolarHBondContact O-CB 3.37Å; K138-I142 VanDerWaalsContact O-CD1 3.32Å; K138-I142 WeakPolarHBondContact O-CD1 3.17Å; K138-I142 WeakPolarHBondContact O-CG1 3.47Å; K138-I142 PolarHBondContact O-N 3.46Å; Q139-I142 PolarHBondContact O-N 3.12Å; H140-I142 PolarHBondContact O-N 3.5Å; I142-G146 WeakPolarHBondContact O-CA 3.35Å; I142-G146 PolarHBondContact O-N 2.88Å; I142-H170 HydrophobicContact CD1-CB 3.48Å; I142-H170 VanDerWaalsContact CD1-CB 3.48Å; I142-L171 HydrophobicContact CG1-CB 4.34Å; I142-L171 HydrophobicContact CG2-CD1 4.29Å; I142-F174 HydrophobicContact CG2-CB 3.6Å; I142-F174 HydrophobicContact CG2-CD1 3.51Å; I142-F174 HydrophobicContact CG2-CE1 4.42Å; I142-F174 HydrophobicContact CG2-CG 3.71Å; I142-L376 HydrophobicContact CG1-CD2 4Å |
| 143 | R | 95.8 | Very high | 95.2 | Very high | 75 Ų | 75 | 35.7 Ų | 35.7 | 28% | 0.283 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -65 | -50.1 | -178.7 | -179.3 | 49.8 | 163.3 | 101 | 2.9 | 111.1 | L125 L126 Q139 H140 T147 | L125-R143 HydrophobicContact CB-CG 4.09Å; L125-R143 PolarHBondContact O-NE 3.36Å; L125-R143 PolarHBondContact O-NH2 3.4Å; L126-R143 HydrophobicContact CB-CB 4.43Å; L126-R143 HydrophobicContact CD1-CB 4.47Å; Q139-R143 WeakPolarHBondContact O-CB 3.24Å; Q139-R143 PolarHBondContact O-N 3.41Å; H140-R143 PolarHBondContact O-N 3.07Å; R143-T147 PolarHBondContact NH1-OG1 3.48Å; R143-T147 WeakPolarHBondContact O-CB 3.36Å; R143-T147 PolarHBondContact O-N 3.02Å; R143-T147 VanDerWaalsContact O-N 3.16Å; R143-T147 PolarHBondContact O-OG1 3.44Å |
| 144 | S | 95.7 | Very high | 95.4 | Very high | 28 Ų | 28 | 35.7 Ų | 35.7 | 20% | 0.196 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -66.8 | -46.8 | -177.9 | -60.1 | 0 | 0 | 0 | 0 | 111.9 | H140 T147 L148 | H140-S144 WeakPolarHBondContact O-CB 3.36Å; H140-S144 PolarHBondContact O-N 3.12Å; H140-S144 PolarHBondContact O-OG 3.13Å; S144-T147 PolarHBondContact O-N 3.37Å; S144-L148 PolarHBondContact O-N 2.87Å |
| 145 | L | 97.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -70.5 | -41.8 | 179.4 | -175.7 | 62.3 | 0 | 0 | 0 | 112.7 | E141 T147 L148 V149 L171 L376 T400 V402 L588 F589 V599 | E141-L145 WeakPolarHBondContact O-CB 3.25Å; E141-L145 PolarHBondContact O-N 3.37Å; L145-T147 PolarHBondContact O-N 3.38Å; L145-L148 WeakPolarHBondContact O-CB 3.34Å; L145-L148 PolarHBondContact O-N 3.31Å; L145-V149 HydrophobicContact CD1-CG2 4.31Å; L145-V149 HydrophobicContact CG-CG2 4.26Å; L145-V149 WeakPolarHBondContact O-CG2 3.47Å; L145-V149 PolarHBondContact O-N 3.23Å; L145-L171 HydrophobicContact CD2-CD2 3.79Å; L145-L171 HydrophobicContact CG-CD2 4.37Å; L145-L376 HydrophobicContact CD2-CB 3.76Å; L145-L376 HydrophobicContact CD2-CD1 3.89Å; L145-L376 HydrophobicContact CD2-CD2 4.45Å; L145-L376 HydrophobicContact CD2-CG 4.21Å; L145-T400 HydrophobicContact CD1-CG2 4.45Å; L145-V402 HydrophobicContact CD1-CG2 4.34Å; L145-V402 HydrophobicContact CD2-CG2 3.78Å; L145-L588 HydrophobicContact CB-CD2 4.22Å; L145-L588 HydrophobicContact CD1-CD2 4.07Å; L145-F589 HydrophobicContact CB-CE1 4.21Å; L145-F589 HydrophobicContact CB-CZ 4.25Å; L145-V599 HydrophobicContact CD1-CG1 4.08Å |
| 146 | G | 97.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -59.9 | -37.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | I142 V149 K150 L179 | I142-G146 WeakPolarHBondContact O-CA 3.35Å; I142-G146 PolarHBondContact O-N 2.88Å; G146-V149 PolarHBondContact O-N 3.47Å; G146-K150 PolarHBondContact O-N 3.11Å; G146-L179 VanDerWaalsContact C-CD1 3.48Å; G146-L179 WeakPolarHBondContact O-CD1 3.39Å |
| 147 | T | 96.8 | Very high | 95.3 | Very high | 40 Ų | 40 | 40.1 Ų | 40.1 | 25% | 0.245 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64 | -42.1 | 173.4 | -49.5 | 0 | 0 | 0 | 0 | 111.6 | R143 S144 L145 K150 Q151 | R143-T147 PolarHBondContact NH1-OG1 3.48Å; R143-T147 WeakPolarHBondContact O-CB 3.36Å; R143-T147 PolarHBondContact O-N 3.02Å; R143-T147 VanDerWaalsContact O-N 3.16Å; R143-T147 PolarHBondContact O-OG1 3.44Å; S144-T147 PolarHBondContact O-N 3.37Å; L145-T147 PolarHBondContact O-N 3.38Å; T147-K150 PolarHBondContact O-N 2.9Å; T147-Q151 WeakPolarHBondContact O-CG 3.29Å; T147-Q151 PolarHBondContact O-N 2.89Å; T147-Q151 VanDerWaalsContact O-N 3.09Å |
| 148 | L | 96.9 | Very high | 95.3 | Very high | 4 Ų | 4 | 36.9 Ų | 36.9 | 2% | 0.021 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -66.5 | -43.8 | 177.6 | -165.6 | 69 | 0 | 0 | 0 | 111.7 | M1 S144 L145 K150 Q151 L152 T400 L588 V599 M601 | M1-L148 HydrophobicContact CE-CD1 3.84Å; S144-L148 PolarHBondContact O-N 2.87Å; L145-L148 WeakPolarHBondContact O-CB 3.34Å; L145-L148 PolarHBondContact O-N 3.31Å; L148-K150 PolarHBondContact O-N 3.45Å; L148-Q151 WeakPolarHBondContact O-CB 3.25Å; L148-Q151 PolarHBondContact O-N 3.36Å; L148-Q151 VanDerWaalsContact O-N 3.16Å; L148-L152 HydrophobicContact CG-CD1 4.22Å; L148-L152 WeakPolarHBondContact O-CD1 3.34Å; L148-L152 PolarHBondContact O-N 3.46Å; L148-T400 HydrophobicContact CD2-CG2 4.08Å; L148-T400 HydrophobicContact CG-CG2 4.41Å; L148-L588 HydrophobicContact CB-CD1 4.44Å; L148-L588 HydrophobicContact CB-CD2 4.17Å; L148-L588 HydrophobicContact CD2-CD1 4.24Å; L148-L588 HydrophobicContact CD2-CD2 3.75Å; L148-V599 HydrophobicContact CD2-CG1 4.34Å; L148-M601 HydrophobicContact CD1-CE 3.58Å; L148-M601 HydrophobicContact CD2-CE 3.84Å; L148-M601 HydrophobicContact CG-CE 3.83Å |
| 149 | V | 98 | Very high | 95.2 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59 | -46.6 | 175.4 | 172.4 | 0 | 0 | 0 | 0 | 110.6 | L145 G146 Q151 L152 C153 V161 L175 I372 T374 T400 | L145-V149 HydrophobicContact CD1-CG2 4.31Å; L145-V149 HydrophobicContact CG-CG2 4.26Å; L145-V149 WeakPolarHBondContact O-CG2 3.47Å; L145-V149 PolarHBondContact O-N 3.23Å; G146-V149 PolarHBondContact O-N 3.47Å; V149-Q151 VanDerWaalsContact C-N 3.29Å; V149-Q151 PolarHBondContact O-N 2.93Å; V149-L152 WeakPolarHBondContact O-CA 3.25Å; V149-L152 WeakPolarHBondContact O-CB 3.43Å; V149-L152 PolarHBondContact O-N 3.02Å; V149-C153 PolarHBondContact O-N 3.18Å; V149-C153 PolarHBondContact O-SG 3.08Å; V149-V161 HydrophobicContact CG1-CG1 4Å; V149-V161 HydrophobicContact CG1-CG2 3.95Å; V149-L175 HydrophobicContact CB-CD2 3.81Å; V149-L175 HydrophobicContact CG1-CD1 4.44Å; V149-L175 HydrophobicContact CG1-CD2 3.65Å; V149-L175 HydrophobicContact CG2-CD2 4.49Å; V149-I372 HydrophobicContact CG1-CG2 4.46Å; V149-T374 HydrophobicContact CG2-CG2 4.48Å; V149-T400 WeakPolarHBondContact CG2-OG1 3.4Å |
| 150 | K | 97.1 | Very high | 95.3 | Very high | 47 Ų | 47 | 38.9 Ų | 38.9 | 20% | 0.204 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.8 | -38.2 | 176.2 | -178.9 | 54 | 178.5 | 151.7 | 0 | 112 | G146 T147 L148 L152 C153 D154 N159 L179 L181 | G146-K150 PolarHBondContact O-N 3.11Å; T147-K150 PolarHBondContact O-N 2.9Å; L148-K150 PolarHBondContact O-N 3.45Å; K150-L152 VanDerWaalsContact C-N 3.34Å; K150-L152 PolarHBondContact O-N 2.89Å; K150-C153 HydrophobicContact CD-CB 4.36Å; K150-C153 WeakPolarHBondContact O-CB 3.45Å; K150-C153 PolarHBondContact O-N 3.47Å; K150-D154 WeakPolarHBondContact CE-OD1 3.44Å; K150-D154 IonicContact NZ-OD1 3.22Å; K150-D154 PolarHBondContact NZ-OD1 3.13Å; K150-D154 PolarHBondContact O-N 3.04Å; K150-N159 PolarHBondContact NZ-OD1 2.81Å; K150-L179 HydrophobicContact CB-CD1 4.06Å; K150-L181 HydrophobicContact CB-CD1 4.4Å; K150-L181 HydrophobicContact CD-CD1 4.16Å; K150-L181 HydrophobicContact CD-CD2 3.85Å; K150-L181 HydrophobicContact CD-CG 4.16Å |
| 151 | Q | 95.8 | Very high | 95.4 | Very high | 82 Ų | 82 | 38.3 Ų | 38.3 | 38% | 0.383 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -63.9 | -34 | 172.3 | -71.2 | 173.7 | -1.8 | 0 | 0 | 113.2 | T147 L148 V149 L155 | T147-Q151 WeakPolarHBondContact O-CG 3.29Å; T147-Q151 PolarHBondContact O-N 2.89Å; T147-Q151 VanDerWaalsContact O-N 3.09Å; L148-Q151 WeakPolarHBondContact O-CB 3.25Å; L148-Q151 PolarHBondContact O-N 3.36Å; L148-Q151 VanDerWaalsContact O-N 3.16Å; V149-Q151 VanDerWaalsContact C-N 3.29Å; V149-Q151 PolarHBondContact O-N 2.93Å; Q151-L155 WeakPolarHBondContact O-CB 3.5Å; Q151-L155 WeakPolarHBondContact O-CD1 3.36Å; Q151-L155 WeakPolarHBondContact O-CG 3.27Å; Q151-L155 PolarHBondContact O-N 2.68Å; Q151-L155 VanDerWaalsContact O-N 3.09Å |
| 152 | L | 95 | Very high | 95.5 | Very high | 2 Ų | 2 | 38.2 Ų | 38.2 | 1% | 0.01 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65.4 | -45.1 | 170 | -87.6 | 79.1 | 0 | 0 | 0 | 111.4 | L148 V149 K150 D154 L155 T156 I372 T400 M601 L603 | L148-L152 HydrophobicContact CG-CD1 4.22Å; L148-L152 WeakPolarHBondContact O-CD1 3.34Å; L148-L152 PolarHBondContact O-N 3.46Å; V149-L152 WeakPolarHBondContact O-CA 3.25Å; V149-L152 WeakPolarHBondContact O-CB 3.43Å; V149-L152 PolarHBondContact O-N 3.02Å; K150-L152 VanDerWaalsContact C-N 3.34Å; K150-L152 PolarHBondContact O-N 2.89Å; L152-D154 VanDerWaalsContact C-N 3.32Å; L152-D154 PolarHBondContact O-N 3.3Å; L152-L155 PolarHBondContact O-N 3.2Å; L152-T156 PolarHBondContact O-N 3.36Å; L152-T156 PolarHBondContact O-OG1 2.96Å; L152-I372 HydrophobicContact CB-CD1 4.27Å; L152-I372 HydrophobicContact CB-CG1 4.46Å; L152-I372 HydrophobicContact CB-CG2 4.35Å; L152-I372 HydrophobicContact CD2-CG2 4.14Å; L152-T400 HydrophobicContact CD1-CG2 3.81Å; L152-T400 HydrophobicContact CD2-CG2 3.92Å; L152-M601 HydrophobicContact CD1-CE 3.86Å; L152-M601 HydrophobicContact CD1-CG 4.05Å; L152-M601 HydrophobicContact CD1-SD 3.93Å; L152-M601 HydrophobicContact CD2-CG 4.16Å; L152-M601 HydrophobicContact CG-CG 4.44Å; L152-M601 HydrophobicContact CG-SD 4.48Å; L152-L603 HydrophobicContact CD2-CD2 3.84Å; L152-L603 HydrophobicContact CG-CD2 4.01Å |
| 153 | C | 95.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -56 | -48.2 | 176.5 | -57.5 | 0 | 0 | 0 | 0 | 110.9 | V149 K150 L155 T156 D157 C158 L181 | V149-C153 PolarHBondContact O-N 3.18Å; V149-C153 PolarHBondContact O-SG 3.08Å; K150-C153 HydrophobicContact CD-CB 4.36Å; K150-C153 WeakPolarHBondContact O-CB 3.45Å; K150-C153 PolarHBondContact O-N 3.47Å; C153-L155 VanDerWaalsContact C-N 3.31Å; C153-L155 PolarHBondContact O-N 3.26Å; C153-T156 CarbonylContact O-C 3.43Å; C153-T156 PolarHBondContact O-N 2.85Å; C153-T156 VanDerWaalsContact O-N 3.16Å; C153-T156 PolarHBondContact O-OG1 3.02Å; C153-D157 WeakPolarHBondContact O-CA 3.14Å; C153-D157 PolarHBondContact O-N 2.84Å; C153-C158 WeakPolarHBondContact CA-O 3.34Å; C153-C158 WeakPolarHBondContact CB-O 3.45Å; C153-C158 PolarHBondContact O-N 3.24Å; C153-C158 PolarHBondContact SG-O 3.49Å; C153-C158 VanDerWaalsContact SG-O 3.33Å; C153-L181 HydrophobicContact CB-CD2 3.96Å |
| 154 | D | 94.7 | Very high | 95.7 | Very high | 99 Ų | 99 | 34.8 Ų | 34.8 | 53% | 0.529 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -65.5 | -31.3 | 179.6 | -62 | -26.5 | 0 | 0 | 0 | 112.8 | K150 L152 T156 | K150-D154 WeakPolarHBondContact CE-OD1 3.44Å; K150-D154 IonicContact NZ-OD1 3.22Å; K150-D154 PolarHBondContact NZ-OD1 3.13Å; K150-D154 PolarHBondContact O-N 3.04Å; L152-D154 VanDerWaalsContact C-N 3.32Å; L152-D154 PolarHBondContact O-N 3.3Å; D154-T156 VanDerWaalsContact C-N 3.31Å |
| 155 | L | 92.5 | Very high | 95.7 | Very high | 131 Ų | 131 | 34.6 Ų | 34.6 | 69% | 0.686 | 19% | 0.191 | S | C | * | . | H | α-helix | trans | -80.1 | -7.4 | 176 | -74.6 | 170.7 | 0 | 0 | 0 | 114.3 | Q151 L152 C153 | Q151-L155 WeakPolarHBondContact O-CB 3.5Å; Q151-L155 WeakPolarHBondContact O-CD1 3.36Å; Q151-L155 WeakPolarHBondContact O-CG 3.27Å; Q151-L155 PolarHBondContact O-N 2.68Å; Q151-L155 VanDerWaalsContact O-N 3.09Å; L152-L155 PolarHBondContact O-N 3.2Å; C153-L155 VanDerWaalsContact C-N 3.31Å; C153-L155 PolarHBondContact O-N 3.26Å |
| 156 | T | 91.4 | Very high | 95.6 | Very high | 39 Ų | 39 | 34.9 Ų | 34.9 | 24% | 0.239 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -128.9 | 3.4 | -175.3 | 52.7 | 0 | 0 | 0 | 0 | 113.6 | L152 C153 D154 C158 I372 R397 L603 | L152-T156 PolarHBondContact O-N 3.36Å; L152-T156 PolarHBondContact O-OG1 2.96Å; C153-T156 CarbonylContact O-C 3.43Å; C153-T156 PolarHBondContact O-N 2.85Å; C153-T156 VanDerWaalsContact O-N 3.16Å; C153-T156 PolarHBondContact O-OG1 3.02Å; D154-T156 VanDerWaalsContact C-N 3.31Å; T156-C158 PolarHBondContact O-N 3.31Å; T156-C158 VanDerWaalsContact O-N 3.12Å; T156-C158 WeakPolarHBondContact OG1-CB 3.32Å; T156-I372 HydrophobicContact CG2-CD1 4.43Å; T156-R397 HydrophobicContact CG2-CB 4.29Å; T156-L603 HydrophobicContact CG2-CD2 3.89Å |
| 157 | D | 91.6 | Very high | 95.5 | Very high | 141 Ų | 141 | 35.4 Ų | 35.4 | 75% | 0.754 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 48.9 | 25.5 | -167 | -154.2 | 16.9 | 0 | 0 | 0 | 114.4 | C153 | C153-D157 WeakPolarHBondContact O-CA 3.14Å; C153-D157 PolarHBondContact O-N 2.84Å |
| 158 | C | 91.9 | Very high | 95.4 | Very high | 8 Ų | 8 | 36.2 Ų | 36.2 | 5% | 0.054 | 20% | 0.199 | C | C | . | . | trans | -107.2 | 92.6 | -166.9 | -173.7 | 0 | 0 | 0 | 0 | 110.4 | C153 T156 S160 D370 F371 I372 R397 | C153-C158 WeakPolarHBondContact CA-O 3.34Å; C153-C158 WeakPolarHBondContact CB-O 3.45Å; C153-C158 PolarHBondContact O-N 3.24Å; C153-C158 PolarHBondContact SG-O 3.49Å; C153-C158 VanDerWaalsContact SG-O 3.33Å; T156-C158 PolarHBondContact O-N 3.31Å; T156-C158 VanDerWaalsContact O-N 3.12Å; T156-C158 WeakPolarHBondContact OG1-CB 3.32Å; C158-S160 VanDerWaalsContact C-N 3.28Å; C158-S160 PolarHBondContact O-N 3.19Å; C158-D370 PolarHBondContact SG-O 3.43Å; C158-F371 VanDerWaalsContact SG-C 3.55Å; C158-F371 WeakPolarHBondContact SG-CA 3.2Å; C158-F371 PolarHBondContact SG-N 3.15Å; C158-F371 VanDerWaalsContact SG-N 3.43Å; C158-I372 HydrophobicContact CB-CD1 4.4Å; C158-I372 HydrophobicContact CB-CG1 4.32Å; C158-R397 HydrophobicContact CB-CG 4.35Å | ||
| 159 | N | 93.6 | Very high | 95.4 | Very high | 72 Ų | 72 | 36 Ų | 36 | 39% | 0.385 | 20% | 0.198 | S | C | . | . | trans | -85.9 | 9.1 | -175.6 | -70.2 | -79.1 | 0 | 0 | 0 | 114.5 | K150 L181 S182 | K150-N159 PolarHBondContact NZ-OD1 2.81Å; N159-L181 HydrophobicContact CB-CD2 4.21Å; N159-S182 PolarHBondContact O-N 3.36Å | ||
| 160 | S | 96 | Very high | 95.4 | Very high | 31 Ų | 31 | 36.7 Ų | 36.7 | 22% | 0.217 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 136.2 | 176.5 | -172.7 | 0 | 0 | 0 | 0 | 111.1 | C158 S182 D370 F371 I372 | C158-S160 VanDerWaalsContact C-N 3.28Å; C158-S160 PolarHBondContact O-N 3.19Å; S160-S182 CarbonylContact C-O 3.01Å; S160-S182 WeakPolarHBondContact CA-O 3.14Å; S160-D370 WeakPolarHBondContact CB-O 3.39Å; S160-F371 WeakPolarHBondContact O-CA 3.49Å; S160-I372 PolarHBondContact O-N 3.11Å |
| 161 | V | 97.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 137.4 | -178 | -174.6 | 0 | 0 | 0 | 0 | 111.7 | V149 L175 L181 S182 V183 T184 I372 T374 | V149-V161 HydrophobicContact CG1-CG1 4Å; V149-V161 HydrophobicContact CG1-CG2 3.95Å; V161-L175 HydrophobicContact CG1-CD1 4.05Å; V161-L181 HydrophobicContact CG2-CB 4.44Å; V161-L181 HydrophobicContact CG2-CD1 4Å; V161-S182 PolarHBondContact N-O 3.15Å; V161-V183 HydrophobicContact CB-CG1 4.18Å; V161-V183 HydrophobicContact CB-CG2 4.46Å; V161-V183 HydrophobicContact CG1-CG1 4.44Å; V161-V183 VanDerWaalsContact O-CA 3.31Å; V161-V183 WeakPolarHBondContact O-CA 3.5Å; V161-T184 PolarHBondContact O-N 2.99Å; V161-I372 CarbonylContact C-O 3.44Å; V161-I372 VanDerWaalsContact CA-O 3.29Å; V161-I372 WeakPolarHBondContact CA-O 2.87Å; V161-I372 HydrophobicContact CG2-CB 4.38Å; V161-T374 HydrophobicContact CG1-CG2 3.7Å |
| 162 | V | 98.1 | Very high | 95.5 | Very high | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.006 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 117.7 | 170.8 | 179.2 | 0 | 0 | 0 | 0 | 109.4 | V164 T184 I186 F242 V246 F371 I372 L373 T374 | V162-V164 HydrophobicContact CG1-CG2 3.76Å; V162-T184 CarbonylContact C-O 3.48Å; V162-T184 WeakPolarHBondContact CA-O 3.41Å; V162-I186 HydrophobicContact CG1-CD1 3.85Å; V162-I186 HydrophobicContact CG1-CG1 4.28Å; V162-F242 HydrophobicContact CG1-CZ 4.41Å; V162-V246 HydrophobicContact CG1-CG2 4.01Å; V162-V246 HydrophobicContact CG2-CG1 3.72Å; V162-V246 HydrophobicContact CG2-CG2 3.91Å; V162-F371 HydrophobicContact CB-CD2 3.85Å; V162-F371 HydrophobicContact CB-CE2 3.95Å; V162-F371 HydrophobicContact CG2-CB 4.5Å; V162-F371 HydrophobicContact CG2-CD2 3.37Å; V162-F371 HydrophobicContact CG2-CE2 3.56Å; V162-F371 HydrophobicContact CG2-CG 4.01Å; V162-F371 HydrophobicContact CG2-CZ 4.36Å; V162-I372 PolarHBondContact N-O 3.45Å; V162-L373 HydrophobicContact CB-CD1 4.07Å; V162-L373 HydrophobicContact CG1-CD1 4.05Å; V162-T374 PolarHBondContact O-N 3.02Å |
| 163 | D | 98.3 | Very high | 95.6 | Very high | 2 Ų | 2 | 31.2 Ų | 31.2 | 1% | 0.011 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 100.8 | -175.7 | -179 | 29.3 | 0 | 0 | 0 | 109.8 | S166 T172 V183 T184 G185 I186 T374 | D163-S166 WeakPolarHBondContact O-CB 3.31Å; D163-T172 HydrophobicContact CB-CG2 4.3Å; D163-T172 WeakPolarHBondContact OD2-CB 3.33Å; D163-T172 PolarHBondContact OD2-N 3.15Å; D163-T172 PolarHBondContact OD2-OG1 2.89Å; D163-V183 HydrophobicContact CB-CG1 4.4Å; D163-T184 PolarHBondContact N-O 3.4Å; D163-G185 CarbonylContact O-C 3.36Å; D163-G185 VanDerWaalsContact O-CA 3.29Å; D163-G185 WeakPolarHBondContact O-CA 3.29Å; D163-I186 PolarHBondContact O-N 2.67Å; D163-T374 HydrophobicContact CB-CG2 3.85Å |
| 164 | V | 97.4 | Very high | 95.6 | Very high | 4 Ų | 4 | 31.7 Ų | 31.7 | 2% | 0.024 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 131.3 | -170 | -170.2 | 0 | 0 | 0 | 0 | 111.5 | V162 I186 V233 L373 T374 L382 L386 | V162-V164 HydrophobicContact CG1-CG2 3.76Å; V164-I186 HydrophobicContact CG1-CB 4.34Å; V164-I186 HydrophobicContact CG2-CB 4.45Å; V164-I186 HydrophobicContact CG2-CD1 4.43Å; V164-V233 HydrophobicContact CG1-CB 4.37Å; V164-V233 HydrophobicContact CG1-CG2 3.62Å; V164-L373 HydrophobicContact CG2-CD1 3.75Å; V164-T374 PolarHBondContact N-O 2.81Å; V164-L382 HydrophobicContact CG1-CD1 3.88Å; V164-L386 HydrophobicContact CB-CD2 3.62Å; V164-L386 HydrophobicContact CG1-CD2 3.99Å; V164-L386 HydrophobicContact CG2-CD2 3.65Å |
| 165 | G | 95.5 | Very high | 95.8 | Very high | 23 Ų | 23 | 27 Ų | 27 | 24% | 0.237 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.1 | 33.7 | -163.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | G167 I186 | G165-G167 PolarHBondContact O-N 2.79Å; G165-I186 PolarHBondContact N-O 2.83Å |
| 166 | S | 95.3 | Very high | 96 | Very high | 6 Ų | 6 | 20.8 Ų | 20.8 | 4% | 0.042 | 12% | 0.12 | C | C | . | . | trans | -63.8 | -21.4 | -173.9 | 61.9 | 0 | 0 | 0 | 0 | 113.5 | D163 Q168 G169 T172 I186 | D163-S166 WeakPolarHBondContact O-CB 3.31Å; S166-Q168 PolarHBondContact O-N 2.85Å; S166-G169 PolarHBondContact O-N 2.9Å; S166-T172 WeakPolarHBondContact CB-OG1 3.27Å; S166-I186 PolarHBondContact N-O 3.2Å | ||
| 167 | G | 95.2 | Very high | 96.1 | Very high | 11 Ų | 11 | 19.9 Ų | 19.9 | 11% | 0.113 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.6 | -120.3 | -174.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | G165 G169 E187 L192 | G165-G167 PolarHBondContact O-N 2.79Å; G167-G169 PolarHBondContact O-N 3.04Å; G167-E187 WeakPolarHBondContact CA-OE2 3.47Å; G167-E187 PolarHBondContact N-OE2 3.3Å; G167-L192 CarbonylContact O-C 3.52Å |
| 168 | Q | 96.1 | Very high | 96.2 | Very high | 58 Ų | 58 | 14.7 Ų | 14.7 | 27% | 0.271 | 9% | 0.094 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76 | 19.8 | 177.4 | -60.7 | 175.7 | -10 | 0 | 0 | 113.8 | S166 H170 R173 L192 M195 Y199 | S166-Q168 PolarHBondContact O-N 2.85Å; Q168-H170 VanDerWaalsContact C-N 3.28Å; Q168-H170 WeakPolarHBondContact CB-NE2 3.47Å; Q168-H170 PolarHBondContact O-N 2.7Å; Q168-H170 PolarHBondContact OE1-NE2 2.8Å; Q168-R173 PolarHBondContact O-NH1 3.09Å; Q168-R173 PolarHBondContact O-NH2 3.03Å; Q168-R173 VanDerWaalsContact O-NH2 3.14Å; Q168-L192 HydrophobicContact CG-CD2 3.97Å; Q168-M195 HydrophobicContact CG-CB 4.46Å; Q168-Y199 HydrophobicContact CB-CD2 4.28Å; Q168-Y199 HydrophobicContact CB-CE2 4.15Å; Q168-Y199 HydrophobicContact CG-CE2 4.38Å |
| 169 | G | 96.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.4 | 21.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | S166 G167 T172 R173 | S166-G169 PolarHBondContact O-N 2.9Å; G167-G169 PolarHBondContact O-N 3.04Å; G169-T172 VanDerWaalsContact CA-OG1 3.27Å; G169-T172 WeakPolarHBondContact CA-OG1 3.47Å; G169-T172 WeakPolarHBondContact O-CB 3.42Å; G169-T172 PolarHBondContact O-N 3.4Å; G169-T172 PolarHBondContact O-OG1 2.93Å; G169-R173 WeakPolarHBondContact O-CB 3.44Å; G169-R173 PolarHBondContact O-N 3.47Å |
| 170 | H | 97.2 | Very high | 96.3 | Very high | 14 Ų | 14 | 15 Ų | 15 | 7% | 0.065 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -70.2 | -33.4 | -170.4 | -67.4 | -65.5 | 0 | 0 | 0 | 113.9 | K132 H133 V134 I142 Q168 R173 F174 Y199 | K132-H170 PolarHBondContact O-CE1 3.18Å; H133-H170 VanDerWaalsContact CB-CE1 3.44Å; H133-H170 WeakPolarHBondContact CB-CE1 3.36Å; V134-H170 HydrophobicContact CG2-CB 4.37Å; I142-H170 HydrophobicContact CD1-CB 3.48Å; I142-H170 VanDerWaalsContact CD1-CB 3.48Å; Q168-H170 VanDerWaalsContact C-N 3.28Å; Q168-H170 WeakPolarHBondContact CB-NE2 3.47Å; Q168-H170 PolarHBondContact O-N 2.7Å; Q168-H170 PolarHBondContact OE1-NE2 2.8Å; H170-R173 PolarHBondContact ND1-NH1 3.21Å; H170-F174 PolarHBondContact O-N 2.91Å; H170-Y199 AromaticContact CE1-CD2 3.42Å; H170-Y199 VanDerWaalsContact CE1-CD2 3.42Å; H170-Y199 WeakPolarHBondContact CE1-CD2 3.45Å; H170-Y199 AromaticContact CE1-CE2 3.5Å; H170-Y199 VanDerWaalsContact CE1-CE2 3.5Å; H170-Y199 WeakPolarHBondContact CE1-CE2 3.21Å; H170-Y199 AromaticContact NE2-CE2 3.85Å |
| 171 | L | 97.6 | Very high | 96.3 | Very high | 4 Ų | 4 | 13.6 Ų | 13.6 | 2% | 0.021 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -74.1 | -51.2 | 171.2 | 175.7 | 60.4 | 0 | 0 | 0 | 110 | I142 L145 R173 F174 L175 T374 L376 | I142-L171 HydrophobicContact CG1-CB 4.34Å; I142-L171 HydrophobicContact CG2-CD1 4.29Å; L145-L171 HydrophobicContact CD2-CD2 3.79Å; L145-L171 HydrophobicContact CG-CD2 4.37Å; L171-R173 VanDerWaalsContact C-N 3.27Å; L171-R173 PolarHBondContact O-N 2.75Å; L171-F174 WeakPolarHBondContact O-CA 3.44Å; L171-F174 PolarHBondContact O-N 2.83Å; L171-L175 HydrophobicContact CD1-CD1 4.14Å; L171-L175 HydrophobicContact CD1-CD2 4.39Å; L171-L175 HydrophobicContact CD1-CG 3.97Å; L171-L175 HydrophobicContact CD2-CD1 4.41Å; L171-L175 HydrophobicContact CG-CD1 3.8Å; L171-L175 HydrophobicContact CG-CG 4.13Å; L171-L175 WeakPolarHBondContact O-CG 3.42Å; L171-L175 PolarHBondContact O-N 2.68Å; L171-T374 HydrophobicContact CD2-CG2 4.38Å; L171-L376 HydrophobicContact CB-CD2 4.27Å; L171-L376 HydrophobicContact CD2-CB 3.8Å; L171-L376 HydrophobicContact CD2-CD2 4.19Å |
| 172 | T | 97.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -41.3 | -51.8 | 173.1 | -21 | 0 | 0 | 0 | 0 | 112.7 | D163 S166 G169 F174 L175 S176 V183 P226 | D163-T172 HydrophobicContact CB-CG2 4.3Å; D163-T172 WeakPolarHBondContact OD2-CB 3.33Å; D163-T172 PolarHBondContact OD2-N 3.15Å; D163-T172 PolarHBondContact OD2-OG1 2.89Å; S166-T172 WeakPolarHBondContact CB-OG1 3.27Å; G169-T172 VanDerWaalsContact CA-OG1 3.27Å; G169-T172 WeakPolarHBondContact CA-OG1 3.47Å; G169-T172 WeakPolarHBondContact O-CB 3.42Å; G169-T172 PolarHBondContact O-N 3.4Å; G169-T172 PolarHBondContact O-OG1 2.93Å; T172-F174 PolarHBondContact O-N 3.33Å; T172-L175 PolarHBondContact O-N 3.04Å; T172-S176 PolarHBondContact O-N 2.94Å; T172-V183 HydrophobicContact CG2-CB 4.13Å; T172-V183 HydrophobicContact CG2-CG1 3.46Å; T172-V183 VanDerWaalsContact CG2-CG1 3.46Å; T172-P226 HydrophobicContact CG2-CB 3.98Å |
| 173 | R | 96.9 | Very high | 96.2 | Very high | 11 Ų | 11 | 16.7 Ų | 16.7 | 4% | 0.042 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -63.9 | -36.8 | 178.7 | -179.9 | -177.4 | -62.6 | 102.2 | 32.2 | 113.8 | F130 Q168 G169 H170 L171 F177 A196 D200 L203 | F130-R173 HydrophobicContact CD1-CG 4.43Å; F130-R173 HydrophobicContact CE1-CG 4.48Å; Q168-R173 PolarHBondContact O-NH1 3.09Å; Q168-R173 PolarHBondContact O-NH2 3.03Å; Q168-R173 VanDerWaalsContact O-NH2 3.14Å; G169-R173 WeakPolarHBondContact O-CB 3.44Å; G169-R173 PolarHBondContact O-N 3.47Å; H170-R173 PolarHBondContact ND1-NH1 3.21Å; L171-R173 VanDerWaalsContact C-N 3.27Å; L171-R173 PolarHBondContact O-N 2.75Å; R173-F177 HydrophobicContact CG-CD2 3.98Å; R173-F177 HydrophobicContact CG-CE2 4.41Å; R173-F177 PolarHBondContact O-N 3.27Å; R173-A196 PolarHBondContact NH2-O 2.84Å; R173-D200 WeakPolarHBondContact CG-OD1 3.37Å; R173-D200 IonicContact CZ-OD1 3.27Å; R173-D200 IonicContact NE-OD1 2.85Å; R173-D200 PolarHBondContact NE-OD1 3.09Å; R173-D200 IonicContact NH2-OD1 3.82Å; R173-D200 PolarHBondContact NH2-OD1 2.68Å; R173-D200 IonicContact NH2-OD2 4Å; R173-L203 HydrophobicContact CG-CD2 3.49Å; R173-L203 VanDerWaalsContact CG-CD2 3.49Å |
| 174 | F | 97.2 | Very high | 96.1 | Very high | 11 Ų | 11 | 17.4 Ų | 17.4 | 5% | 0.048 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -75.3 | -40.1 | 176.4 | 177.1 | -118.9 | 0 | 0 | 0 | 111.7 | L126 F130 I142 H170 L171 T172 G178 L179 | L126-F174 HydrophobicContact CD1-CD2 3.67Å; L126-F174 HydrophobicContact CD1-CE2 3.63Å; L126-F174 HydrophobicContact CD1-CG 4.18Å; L126-F174 HydrophobicContact CD1-CZ 4.09Å; F130-F174 HydrophobicContact CD1-CB 4.37Å; F130-F174 HydrophobicContact CD1-CD2 4.27Å; F130-F174 HydrophobicContact CD2-CD2 4.07Å; F130-F174 HydrophobicContact CE1-CD2 4.46Å; F130-F174 HydrophobicContact CE2-CD2 4.27Å; F130-F174 HydrophobicContact CG-CD2 4.08Å; F130-F174 HydrophobicContact CZ-CD2 4.47Å; I142-F174 HydrophobicContact CG2-CB 3.6Å; I142-F174 HydrophobicContact CG2-CD1 3.51Å; I142-F174 HydrophobicContact CG2-CE1 4.42Å; I142-F174 HydrophobicContact CG2-CG 3.71Å; H170-F174 PolarHBondContact O-N 2.91Å; L171-F174 WeakPolarHBondContact O-CA 3.44Å; L171-F174 PolarHBondContact O-N 2.83Å; T172-F174 PolarHBondContact O-N 3.33Å; F174-G178 CarbonylContact O-C 3.58Å; F174-G178 WeakPolarHBondContact O-CA 3.1Å; F174-G178 PolarHBondContact O-N 3.38Å; F174-L179 HydrophobicContact CD1-CD1 4.27Å; F174-L179 HydrophobicContact CE1-CD1 3.79Å; F174-L179 HydrophobicContact CE1-CG 4.23Å; F174-L179 HydrophobicContact CE2-CG 4.47Å; F174-L179 HydrophobicContact CZ-CD1 4.12Å; F174-L179 HydrophobicContact CZ-CD2 4.12Å; F174-L179 HydrophobicContact CZ-CG 4.1Å; F174-L179 PolarHBondContact O-N 2.87Å; F174-L179 VanDerWaalsContact O-N 3.11Å |
| 175 | L | 97.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -59.6 | -48.8 | 172.8 | -68.2 | 170.2 | 0 | 0 | 0 | 111.3 | V149 V161 L171 T172 L179 G180 L181 V183 T374 | V149-L175 HydrophobicContact CB-CD2 3.81Å; V149-L175 HydrophobicContact CG1-CD1 4.44Å; V149-L175 HydrophobicContact CG1-CD2 3.65Å; V149-L175 HydrophobicContact CG2-CD2 4.49Å; V161-L175 HydrophobicContact CG1-CD1 4.05Å; L171-L175 HydrophobicContact CD1-CD1 4.14Å; L171-L175 HydrophobicContact CD1-CD2 4.39Å; L171-L175 HydrophobicContact CD1-CG 3.97Å; L171-L175 HydrophobicContact CD2-CD1 4.41Å; L171-L175 HydrophobicContact CG-CD1 3.8Å; L171-L175 HydrophobicContact CG-CG 4.13Å; L171-L175 WeakPolarHBondContact O-CG 3.42Å; L171-L175 PolarHBondContact O-N 2.68Å; T172-L175 PolarHBondContact O-N 3.04Å; L175-L179 HydrophobicContact CD2-CD1 4.32Å; L175-L179 CarbonylContact O-C 3.28Å; L175-L179 PolarHBondContact O-N 2.87Å; L175-G180 PolarHBondContact O-N 2.94Å; L175-L181 HydrophobicContact CB-CD1 4.36Å; L175-L181 HydrophobicContact CD2-CD1 3.97Å; L175-L181 PolarHBondContact O-N 3.34Å; L175-V183 HydrophobicContact CB-CG1 4.4Å; L175-V183 HydrophobicContact CB-CG2 3.64Å; L175-V183 HydrophobicContact CD1-CG1 4.17Å; L175-T374 HydrophobicContact CD1-CG2 4.34Å |
| 176 | S | 96.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -65.8 | -74.1 | 177.2 | -103.1 | 0 | 0 | 0 | 0 | 112.2 | T172 G178 G180 L181 G223 P224 | T172-S176 PolarHBondContact O-N 2.94Å; S176-G178 PolarHBondContact O-N 3.39Å; S176-G180 WeakPolarHBondContact O-CA 3.38Å; S176-G180 PolarHBondContact O-N 2.81Å; S176-L181 WeakPolarHBondContact CA-O 3.23Å; S176-L181 PolarHBondContact OG-O 2.8Å; S176-G223 WeakPolarHBondContact O-CA 3.49Å; S176-P224 VanDerWaalsContact CB-O 3.27Å; S176-P224 WeakPolarHBondContact CB-O 3.29Å; S176-P224 PolarHBondContact OG-O 2.87Å |
| 177 | F | 94.3 | Very high | 96.2 | Very high | 20 Ų | 20 | 17.2 Ų | 17.2 | 9% | 0.088 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -79.4 | -21.3 | -168.3 | -58.6 | -63.3 | 0 | 0 | 0 | 113.7 | F130 R173 D200 L203 L204 P226 | F130-F177 HydrophobicContact CE1-CB 4.09Å; F130-F177 HydrophobicContact CZ-CB 4.15Å; R173-F177 HydrophobicContact CG-CD2 3.98Å; R173-F177 HydrophobicContact CG-CE2 4.41Å; R173-F177 PolarHBondContact O-N 3.27Å; F177-D200 HydrophobicContact CE2-CB 4.21Å; F177-L203 HydrophobicContact CB-CD2 4.23Å; F177-L203 HydrophobicContact CD2-CD2 3.5Å; F177-L203 VanDerWaalsContact CD2-CD2 3.5Å; F177-L203 HydrophobicContact CD2-CG 4.45Å; F177-L203 HydrophobicContact CE2-CD2 4.11Å; F177-L203 HydrophobicContact CG-CD2 4.15Å; F177-L204 HydrophobicContact CD1-CD2 4.46Å; F177-L204 HydrophobicContact CE1-CD2 3.65Å; F177-L204 HydrophobicContact CE1-CG 4.29Å; F177-L204 HydrophobicContact CZ-CD1 4.22Å; F177-L204 HydrophobicContact CZ-CD2 3.85Å; F177-L204 HydrophobicContact CZ-CG 3.96Å; F177-P226 VanDerWaalsContact CE2-CD 3.42Å; F177-P226 HydrophobicContact CE2-CG 4.09Å; F177-P226 VanDerWaalsContact CZ-CD 3.4Å; F177-P226 HydrophobicContact CZ-CG 4.49Å |
| 178 | G | 93.3 | Very high | 96.2 | Very high | 33 Ų | 33 | 18.5 Ų | 18.5 | 34% | 0.34 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -95 | -29.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | F174 S176 | F174-G178 CarbonylContact O-C 3.58Å; F174-G178 WeakPolarHBondContact O-CA 3.1Å; F174-G178 PolarHBondContact O-N 3.38Å; S176-G178 PolarHBondContact O-N 3.39Å |
| 179 | L | 94.9 | Very high | 96 | Very high | 47 Ų | 47 | 18.7 Ų | 18.7 | 25% | 0.246 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -123.4 | 0.1 | -176.1 | -57 | 176.7 | 0 | 0 | 0 | 114.1 | G146 K150 F174 L175 L181 | G146-L179 VanDerWaalsContact C-CD1 3.48Å; G146-L179 WeakPolarHBondContact O-CD1 3.39Å; K150-L179 HydrophobicContact CB-CD1 4.06Å; F174-L179 HydrophobicContact CD1-CD1 4.27Å; F174-L179 HydrophobicContact CE1-CD1 3.79Å; F174-L179 HydrophobicContact CE1-CG 4.23Å; F174-L179 HydrophobicContact CE2-CG 4.47Å; F174-L179 HydrophobicContact CZ-CD1 4.12Å; F174-L179 HydrophobicContact CZ-CD2 4.12Å; F174-L179 HydrophobicContact CZ-CG 4.1Å; F174-L179 PolarHBondContact O-N 2.87Å; F174-L179 VanDerWaalsContact O-N 3.11Å; L175-L179 HydrophobicContact CD2-CD1 4.32Å; L175-L179 CarbonylContact O-C 3.28Å; L175-L179 PolarHBondContact O-N 2.87Å; L179-L181 HydrophobicContact CB-CD1 4.5Å |
| 180 | G | 94.2 | Very high | 95.9 | Very high | 40 Ų | 40 | 22.6 Ų | 22.6 | 41% | 0.412 | 15% | 0.149 | S | C | . | . | trans | 83.3 | 9 | 169.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | L175 S176 | L175-G180 PolarHBondContact O-N 2.94Å; S176-G180 WeakPolarHBondContact O-CA 3.38Å; S176-G180 PolarHBondContact O-N 2.81Å | ||
| 181 | L | 95.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 17% | 0.173 | C | C | . | . | trans | -82 | 159.3 | -173.2 | -63.7 | 168.3 | 0 | 0 | 0 | 112.4 | K150 C153 N159 V161 L175 S176 L179 V183 P224 | K150-L181 HydrophobicContact CB-CD1 4.4Å; K150-L181 HydrophobicContact CD-CD1 4.16Å; K150-L181 HydrophobicContact CD-CD2 3.85Å; K150-L181 HydrophobicContact CD-CG 4.16Å; C153-L181 HydrophobicContact CB-CD2 3.96Å; N159-L181 HydrophobicContact CB-CD2 4.21Å; V161-L181 HydrophobicContact CG2-CB 4.44Å; V161-L181 HydrophobicContact CG2-CD1 4Å; L175-L181 HydrophobicContact CB-CD1 4.36Å; L175-L181 HydrophobicContact CD2-CD1 3.97Å; L175-L181 PolarHBondContact O-N 3.34Å; S176-L181 WeakPolarHBondContact CA-O 3.23Å; S176-L181 PolarHBondContact OG-O 2.8Å; L179-L181 HydrophobicContact CB-CD1 4.5Å; L181-V183 HydrophobicContact CB-CG2 3.9Å; L181-P224 WeakPolarHBondContact O-CD 3.39Å; L181-P224 WeakPolarHBondContact O-CG 3.38Å | ||
| 182 | S | 95.6 | Very high | 95.8 | Very high | 63 Ų | 63 | 28.4 Ų | 28.4 | 44% | 0.441 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 123.9 | 165.4 | -167.5 | 0 | 0 | 0 | 0 | 108.6 | N159 S160 V161 | N159-S182 PolarHBondContact O-N 3.36Å; S160-S182 CarbonylContact C-O 3.01Å; S160-S182 WeakPolarHBondContact CA-O 3.14Å; V161-S182 PolarHBondContact N-O 3.15Å |
| 183 | V | 97.1 | Very high | 95.8 | Very high | 3 Ų | 3 | 29.2 Ų | 29.2 | 2% | 0.018 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 128.9 | -168.3 | -161.2 | 0 | 0 | 0 | 0 | 112.5 | V161 D163 T172 L175 L181 P226 C227 | V161-V183 HydrophobicContact CB-CG1 4.18Å; V161-V183 HydrophobicContact CB-CG2 4.46Å; V161-V183 HydrophobicContact CG1-CG1 4.44Å; V161-V183 VanDerWaalsContact O-CA 3.31Å; V161-V183 WeakPolarHBondContact O-CA 3.5Å; D163-V183 HydrophobicContact CB-CG1 4.4Å; T172-V183 HydrophobicContact CG2-CB 4.13Å; T172-V183 HydrophobicContact CG2-CG1 3.46Å; T172-V183 VanDerWaalsContact CG2-CG1 3.46Å; L175-V183 HydrophobicContact CB-CG1 4.4Å; L175-V183 HydrophobicContact CB-CG2 3.64Å; L175-V183 HydrophobicContact CD1-CG1 4.17Å; L181-V183 HydrophobicContact CB-CG2 3.9Å; V183-P226 WeakPolarHBondContact O-CA 3.27Å; V183-C227 PolarHBondContact O-N 2.78Å |
| 184 | T | 97.4 | Very high | 95.8 | Very high | 18 Ų | 18 | 32.4 Ų | 32.4 | 11% | 0.11 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 114.7 | 168.7 | -61.1 | 0 | 0 | 0 | 0 | 109.7 | V161 V162 D163 I186 C227 V229 V246 | V161-T184 PolarHBondContact O-N 2.99Å; V162-T184 CarbonylContact C-O 3.48Å; V162-T184 WeakPolarHBondContact CA-O 3.41Å; D163-T184 PolarHBondContact N-O 3.4Å; T184-I186 HydrophobicContact CG2-CG1 4.45Å; T184-C227 CarbonylContact C-O 3.57Å; T184-C227 WeakPolarHBondContact CA-O 3.46Å; T184-C227 HydrophobicContact CG2-CB 4.28Å; T184-V229 HydrophobicContact CG2-CG2 3.85Å; T184-V246 HydrophobicContact CG2-CG1 4.38Å |
| 185 | G | 97.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 135.1 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111 | D163 C227 H228 V229 | D163-G185 CarbonylContact O-C 3.36Å; D163-G185 VanDerWaalsContact O-CA 3.29Å; D163-G185 WeakPolarHBondContact O-CA 3.29Å; G185-C227 PolarHBondContact N-O 3.14Å; G185-H228 CarbonylContact O-C 3.56Å; G185-H228 WeakPolarHBondContact O-CA 3.45Å; G185-V229 PolarHBondContact O-N 3.36Å |
| 186 | I | 97 | Very high | 95.7 | Very high | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 127.9 | 169.4 | -57.1 | 176.7 | 0 | 0 | 0 | 108.7 | V162 D163 V164 G165 S166 T184 V229 G231 V233 F242 V246 | V162-I186 HydrophobicContact CG1-CD1 3.85Å; V162-I186 HydrophobicContact CG1-CG1 4.28Å; D163-I186 PolarHBondContact O-N 2.67Å; V164-I186 HydrophobicContact CG1-CB 4.34Å; V164-I186 HydrophobicContact CG2-CB 4.45Å; V164-I186 HydrophobicContact CG2-CD1 4.43Å; G165-I186 PolarHBondContact N-O 2.83Å; S166-I186 PolarHBondContact N-O 3.2Å; T184-I186 HydrophobicContact CG2-CG1 4.45Å; I186-V229 HydrophobicContact CG1-CB 4.36Å; I186-G231 WeakPolarHBondContact CG2-O 3.43Å; I186-V233 HydrophobicContact CB-CG2 4.5Å; I186-V233 HydrophobicContact CD1-CG2 4.33Å; I186-V233 HydrophobicContact CG2-CG2 3.74Å; I186-F242 HydrophobicContact CD1-CE2 4.13Å; I186-V246 HydrophobicContact CD1-CG2 3.88Å |
| 187 | E | 95.7 | Very high | 95.7 | Very high | 28 Ų | 28 | 37.3 Ų | 37.3 | 13% | 0.131 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 140.4 | 178.9 | 175.3 | 53.4 | -110.9 | 0 | 0 | 110.3 | G167 D189 L192 V193 V229 A230 G231 | G167-E187 WeakPolarHBondContact CA-OE2 3.47Å; G167-E187 PolarHBondContact N-OE2 3.3Å; E187-D189 PolarHBondContact OE1-N 2.94Å; E187-L192 HydrophobicContact CG-CB 3.79Å; E187-L192 HydrophobicContact CG-CD1 4.19Å; E187-V193 HydrophobicContact CB-CG2 3.78Å; E187-V193 HydrophobicContact CG-CG2 4.28Å; E187-V229 PolarHBondContact N-O 2.7Å; E187-V229 VanDerWaalsContact N-O 3.1Å; E187-A230 CarbonylContact O-C 3.6Å; E187-A230 WeakPolarHBondContact O-CA 3.18Å; E187-G231 CarbonylContact C-O 3.58Å; E187-G231 PolarHBondContact O-N 3.01Å |
| 188 | A | 93.5 | Very high | 95.7 | Very high | 37 Ų | 37 | 42.4 Ų | 42.4 | 31% | 0.306 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -81 | -25.1 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | P190 W232 I421 | A188-P190 WeakPolarHBondContact O-CD 3.36Å; A188-W232 HydrophobicContact CB-CB 4.36Å; A188-I421 HydrophobicContact CB-CD1 4.34Å |
| 189 | D | 93.2 | Very high | 95.8 | Very high | 62 Ų | 62 | 42.3 Ų | 42.3 | 33% | 0.332 | 26% | 0.255 | S | S | . | . | trans | -90.7 | 112 | 173.9 | -178.5 | -0.3 | 0 | 0 | 0 | 111.7 | E187 T191 L192 V193 | E187-D189 PolarHBondContact OE1-N 2.94Å; D189-T191 PolarHBondContact O-N 3Å; D189-T191 VanDerWaalsContact O-N 3.12Å; D189-T191 WeakPolarHBondContact OD1-CA 3.34Å; D189-T191 WeakPolarHBondContact OD1-CB 3.46Å; D189-T191 PolarHBondContact OD1-N 3.34Å; D189-T191 PolarHBondContact OD1-OG1 3.02Å; D189-L192 HydrophobicContact CB-CB 4.28Å; D189-L192 HydrophobicContact CB-CD1 4.01Å; D189-L192 HydrophobicContact CB-CG 3.96Å; D189-L192 PolarHBondContact O-N 2.95Å; D189-V193 PolarHBondContact O-N 3.45Å | ||
| 190 | P | 94.6 | Very high | 95.8 | Very high | 82 Ų | 82 | 40.6 Ų | 40.6 | 53% | 0.532 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -59.5 | -23.7 | 176.6 | -21.6 | 33.5 | 0 | 0 | 0 | 113.7 | A188 V193 S194 A230 | A188-P190 WeakPolarHBondContact O-CD 3.36Å; P190-V193 PolarHBondContact O-N 2.8Å; P190-S194 WeakPolarHBondContact O-CB 3.47Å; P190-S194 PolarHBondContact O-N 2.97Å; P190-A230 HydrophobicContact CB-CB 4.26Å; P190-A230 HydrophobicContact CG-CB 4.27Å |
| 191 | T | 96.6 | Very high | 95.8 | Very high | 91 Ų | 91 | 40.6 Ų | 40.6 | 56% | 0.558 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -66.4 | -41.2 | 176 | -37.8 | 0 | 0 | 0 | 0 | 110.9 | D189 M195 | D189-T191 PolarHBondContact O-N 3Å; D189-T191 VanDerWaalsContact O-N 3.12Å; D189-T191 WeakPolarHBondContact OD1-CA 3.34Å; D189-T191 WeakPolarHBondContact OD1-CB 3.46Å; D189-T191 PolarHBondContact OD1-N 3.34Å; D189-T191 PolarHBondContact OD1-OG1 3.02Å; T191-M195 WeakPolarHBondContact O-CB 3.15Å; T191-M195 VanDerWaalsContact O-CG 3.26Å; T191-M195 WeakPolarHBondContact O-CG 3.48Å; T191-M195 PolarHBondContact O-N 3.08Å |
| 192 | L | 96.2 | Very high | 95.6 | Very high | 50 Ų | 50 | 43.3 Ų | 43.3 | 26% | 0.262 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -70.9 | -38.7 | 177.5 | -64.2 | -178.7 | 0 | 0 | 0 | 111.3 | G167 Q168 E187 D189 M195 A196 | G167-L192 CarbonylContact O-C 3.52Å; Q168-L192 HydrophobicContact CG-CD2 3.97Å; E187-L192 HydrophobicContact CG-CB 3.79Å; E187-L192 HydrophobicContact CG-CD1 4.19Å; D189-L192 HydrophobicContact CB-CB 4.28Å; D189-L192 HydrophobicContact CB-CD1 4.01Å; D189-L192 HydrophobicContact CB-CG 3.96Å; D189-L192 PolarHBondContact O-N 2.95Å; L192-M195 CarbonylContact O-C 3.5Å; L192-M195 PolarHBondContact O-N 3.03Å; L192-A196 PolarHBondContact O-N 2.52Å |
| 193 | V | 96.4 | Very high | 95.4 | Very high | 16 Ų | 16 | 40.8 Ų | 40.8 | 10% | 0.097 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -58.8 | -49.9 | 171.3 | 171.5 | 0 | 0 | 0 | 0 | 111.6 | E187 D189 P190 M195 A196 S197 H228 A230 | E187-V193 HydrophobicContact CB-CG2 3.78Å; E187-V193 HydrophobicContact CG-CG2 4.28Å; D189-V193 PolarHBondContact O-N 3.45Å; P190-V193 PolarHBondContact O-N 2.8Å; V193-M195 VanDerWaalsContact C-N 3.29Å; V193-M195 PolarHBondContact O-N 3.04Å; V193-A196 WeakPolarHBondContact O-CB 3.39Å; V193-A196 PolarHBondContact O-N 3.22Å; V193-A196 VanDerWaalsContact O-N 3.07Å; V193-S197 PolarHBondContact O-N 3.44Å; V193-S197 VanDerWaalsContact O-N 3.11Å; V193-S197 PolarHBondContact O-OG 3.1Å; V193-H228 HydrophobicContact CG1-CB 3.87Å; V193-A230 HydrophobicContact CG1-CB 4.47Å; V193-A230 HydrophobicContact CG2-CB 4.12Å |
| 194 | S | 96.8 | Very high | 95.1 | Very high | 79 Ų | 79 | 44 Ų | 44 | 55% | 0.552 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -58.7 | -41.4 | 176.3 | -178.6 | 0 | 0 | 0 | 0 | 111.9 | P190 K198 | P190-S194 WeakPolarHBondContact O-CB 3.47Å; P190-S194 PolarHBondContact O-N 2.97Å; S194-K198 VanDerWaalsContact O-CB 3.22Å; S194-K198 WeakPolarHBondContact O-CB 3.48Å; S194-K198 PolarHBondContact O-N 3.43Å |
| 195 | M | 96.3 | Very high | 94.7 | Very high | 51 Ų | 51 | 52.2 Ų | 52.2 | 25% | 0.251 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -67.6 | -32.5 | 174.8 | -73.2 | -68.8 | -72.2 | 0 | 0 | 113.2 | Q168 T191 L192 V193 K198 Y199 | Q168-M195 HydrophobicContact CG-CB 4.46Å; T191-M195 WeakPolarHBondContact O-CB 3.15Å; T191-M195 VanDerWaalsContact O-CG 3.26Å; T191-M195 WeakPolarHBondContact O-CG 3.48Å; T191-M195 PolarHBondContact O-N 3.08Å; L192-M195 CarbonylContact O-C 3.5Å; L192-M195 PolarHBondContact O-N 3.03Å; V193-M195 VanDerWaalsContact C-N 3.29Å; V193-M195 PolarHBondContact O-N 3.04Å; M195-K198 HydrophobicContact SD-CD 4.01Å; M195-Y199 HydrophobicContact CE-CE1 4.37Å; M195-Y199 HydrophobicContact CE-CE2 4.07Å; M195-Y199 VanDerWaalsContact CE-OH 3.29Å; M195-Y199 WeakPolarHBondContact CE-OH 3.28Å; M195-Y199 WeakPolarHBondContact O-CD2 3.32Å; M195-Y199 VanDerWaalsContact O-CG 3.31Å; M195-Y199 PolarHBondContact O-N 2.85Å |
| 196 | A | 96.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63.3 | -56.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | R173 L192 V193 K198 Y199 D200 | R173-A196 PolarHBondContact NH2-O 2.84Å; L192-A196 PolarHBondContact O-N 2.52Å; V193-A196 WeakPolarHBondContact O-CB 3.39Å; V193-A196 PolarHBondContact O-N 3.22Å; V193-A196 VanDerWaalsContact O-N 3.07Å; A196-K198 VanDerWaalsContact C-N 3.26Å; A196-K198 PolarHBondContact O-N 3.1Å; A196-Y199 WeakPolarHBondContact O-CA 3.43Å; A196-Y199 PolarHBondContact O-N 3.09Å; A196-D200 PolarHBondContact O-N 2.9Å |
| 197 | S | 96.2 | Very high | 93.7 | Very high | 62 Ų | 62 | 57.2 Ų | 57.2 | 43% | 0.434 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -58.3 | -37.8 | 177.5 | -54 | 0 | 0 | 0 | 0 | 112.3 | V193 Y199 D200 G201 | V193-S197 PolarHBondContact O-N 3.44Å; V193-S197 VanDerWaalsContact O-N 3.11Å; V193-S197 PolarHBondContact O-OG 3.1Å; S197-Y199 VanDerWaalsContact C-N 3.32Å; S197-Y199 PolarHBondContact O-N 2.94Å; S197-D200 PolarHBondContact O-N 2.84Å; S197-G201 PolarHBondContact O-N 3.24Å |
| 198 | K | 95.7 | Very high | 93.2 | Very high | 128 Ų | 128 | 59.3 Ų | 59.3 | 56% | 0.557 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -64 | -31.4 | 173.9 | -179.9 | 176.9 | 178.2 | 177.6 | 0 | 113.3 | S194 M195 A196 Q202 | S194-K198 VanDerWaalsContact O-CB 3.22Å; S194-K198 WeakPolarHBondContact O-CB 3.48Å; S194-K198 PolarHBondContact O-N 3.43Å; M195-K198 HydrophobicContact SD-CD 4.01Å; A196-K198 VanDerWaalsContact C-N 3.26Å; A196-K198 PolarHBondContact O-N 3.1Å; K198-Q202 WeakPolarHBondContact O-CG 3.39Å; K198-Q202 PolarHBondContact O-NE2 3.18Å |
| 199 | Y | 95.2 | Very high | 92.8 | Very high | 30 Ų | 30 | 62.5 Ų | 62.5 | 12% | 0.118 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -79.8 | -30.7 | 173.8 | -70.2 | -40.3 | 0 | 0 | 0 | 112.4 | H133 Q168 H170 M195 A196 S197 Q202 L203 | H133-Y199 HydrophobicContact CB-CE1 4.41Å; H133-Y199 AromaticContact CD2-CD1 3.64Å; H133-Y199 AromaticContact CD2-CE1 3.16Å; H133-Y199 WeakPolarHBondContact CD2-CE1 3.36Å; H133-Y199 AromaticContact CD2-CZ 3.71Å; H133-Y199 AromaticContact CG-CE1 3.71Å; H133-Y199 AromaticContact CG-CZ 3.77Å; H133-Y199 AromaticContact NE2-CE1 3.45Å; H133-Y199 WeakPolarHBondContact NE2-CE1 3.4Å; Q168-Y199 HydrophobicContact CB-CD2 4.28Å; Q168-Y199 HydrophobicContact CB-CE2 4.15Å; Q168-Y199 HydrophobicContact CG-CE2 4.38Å; H170-Y199 AromaticContact CE1-CD2 3.42Å; H170-Y199 VanDerWaalsContact CE1-CD2 3.42Å; H170-Y199 WeakPolarHBondContact CE1-CD2 3.45Å; H170-Y199 AromaticContact CE1-CE2 3.5Å; H170-Y199 VanDerWaalsContact CE1-CE2 3.5Å; H170-Y199 WeakPolarHBondContact CE1-CE2 3.21Å; H170-Y199 AromaticContact NE2-CE2 3.85Å; M195-Y199 HydrophobicContact CE-CE1 4.37Å; M195-Y199 HydrophobicContact CE-CE2 4.07Å; M195-Y199 VanDerWaalsContact CE-OH 3.29Å; M195-Y199 WeakPolarHBondContact CE-OH 3.28Å; M195-Y199 WeakPolarHBondContact O-CD2 3.32Å; M195-Y199 VanDerWaalsContact O-CG 3.31Å; M195-Y199 PolarHBondContact O-N 2.85Å; A196-Y199 WeakPolarHBondContact O-CA 3.43Å; A196-Y199 PolarHBondContact O-N 3.09Å; S197-Y199 VanDerWaalsContact C-N 3.32Å; S197-Y199 PolarHBondContact O-N 2.94Å; Y199-Q202 PolarHBondContact O-N 3.45Å; Y199-L203 PolarHBondContact O-N 3.45Å |
| 200 | D | 94.9 | Very high | 92.3 | Very high | 11 Ų | 11 | 62 Ų | 62 | 6% | 0.059 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -66.4 | -45.4 | 174.3 | -59.9 | -36 | 0 | 0 | 0 | 111.9 | R173 F177 A196 S197 Q202 L203 L204 H228 | R173-D200 WeakPolarHBondContact CG-OD1 3.37Å; R173-D200 IonicContact CZ-OD1 3.27Å; R173-D200 IonicContact NE-OD1 2.85Å; R173-D200 PolarHBondContact NE-OD1 3.09Å; R173-D200 IonicContact NH2-OD1 3.82Å; R173-D200 PolarHBondContact NH2-OD1 2.68Å; R173-D200 IonicContact NH2-OD2 4Å; F177-D200 HydrophobicContact CE2-CB 4.21Å; A196-D200 PolarHBondContact O-N 2.9Å; S197-D200 PolarHBondContact O-N 2.84Å; D200-Q202 VanDerWaalsContact C-N 3.26Å; D200-Q202 PolarHBondContact O-N 2.98Å; D200-L203 WeakPolarHBondContact O-CB 3.27Å; D200-L203 PolarHBondContact O-N 3.49Å; D200-L204 WeakPolarHBondContact O-CG 3.29Å; D200-L204 PolarHBondContact O-N 3.37Å; D200-H228 IonicContact OD2-CD2 3.27Å; D200-H228 PolarHBondContact OD2-CD2 3.21Å; D200-H228 IonicContact OD2-CE1 2.77Å; D200-H228 IonicContact OD2-NE2 3.92Å; D200-H228 PolarHBondContact OD2-NE2 3Å |
| 201 | G | 93.1 | Very high | 91.6 | Very high | 41 Ų | 41 | 66.2 Ų | 66.2 | 42% | 0.423 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -58.4 | -36.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | S197 W205 | S197-G201 PolarHBondContact O-N 3.24Å; G201-W205 WeakPolarHBondContact O-CB 3.44Å; G201-W205 PolarHBondContact O-N 3.33Å |
| 202 | Q | 92.9 | Very high | 90.7 | Very high | 57 Ų | 57 | 68.1 Ų | 68.1 | 27% | 0.266 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -69 | -34.5 | 173.8 | -73.9 | 171.9 | 66.8 | 0 | 0 | 113.2 | K198 Y199 D200 T206 | K198-Q202 WeakPolarHBondContact O-CG 3.39Å; K198-Q202 PolarHBondContact O-NE2 3.18Å; Y199-Q202 PolarHBondContact O-N 3.45Å; D200-Q202 VanDerWaalsContact C-N 3.26Å; D200-Q202 PolarHBondContact O-N 2.98Å; Q202-T206 WeakPolarHBondContact O-CB 3.42Å; Q202-T206 PolarHBondContact O-N 2.71Å; Q202-T206 PolarHBondContact O-OG1 3.34Å |
| 203 | L | 91.3 | Very high | 89.7 | Confident | 9 Ų | 9 | 74.6 Ų | 74.6 | 5% | 0.047 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -70.4 | -48.7 | 176 | 177.3 | 58.9 | 0 | 0 | 0 | 110.9 | I129 F130 R173 F177 Y199 D200 W205 T206 L207 | I129-L203 HydrophobicContact CB-CD1 3.61Å; I129-L203 HydrophobicContact CD1-CD1 3.97Å; I129-L203 HydrophobicContact CG1-CD1 3.89Å; I129-L203 HydrophobicContact CG2-CD1 4.49Å; F130-L203 HydrophobicContact CD1-CD2 4.21Å; F130-L203 HydrophobicContact CE1-CD2 3.78Å; R173-L203 HydrophobicContact CG-CD2 3.49Å; R173-L203 VanDerWaalsContact CG-CD2 3.49Å; F177-L203 HydrophobicContact CB-CD2 4.23Å; F177-L203 HydrophobicContact CD2-CD2 3.5Å; F177-L203 VanDerWaalsContact CD2-CD2 3.5Å; F177-L203 HydrophobicContact CD2-CG 4.45Å; F177-L203 HydrophobicContact CE2-CD2 4.11Å; F177-L203 HydrophobicContact CG-CD2 4.15Å; Y199-L203 PolarHBondContact O-N 3.45Å; D200-L203 WeakPolarHBondContact O-CB 3.27Å; D200-L203 PolarHBondContact O-N 3.49Å; L203-W205 VanDerWaalsContact C-N 3.34Å; L203-W205 PolarHBondContact O-N 2.94Å; L203-T206 CarbonylContact O-C 3.58Å; L203-T206 WeakPolarHBondContact O-CA 3.49Å; L203-T206 WeakPolarHBondContact O-CB 3.39Å; L203-T206 PolarHBondContact O-N 3.17Å; L203-L207 HydrophobicContact CD1-CD1 4.37Å; L203-L207 HydrophobicContact CD1-CG 4.28Å; L203-L207 HydrophobicContact CG-CD1 4.16Å; L203-L207 WeakPolarHBondContact O-CG 3.41Å; L203-L207 PolarHBondContact O-N 2.85Å |
| 204 | L | 91.1 | Very high | 88.5 | Confident | 71 Ų | 71 | 79.9 Ų | 79.9 | 37% | 0.372 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -56.1 | -46.3 | 175.7 | -73 | 170.2 | 0 | 0 | 0 | 112 | F177 D200 T206 L207 E208 | F177-L204 HydrophobicContact CD1-CD2 4.46Å; F177-L204 HydrophobicContact CE1-CD2 3.65Å; F177-L204 HydrophobicContact CE1-CG 4.29Å; F177-L204 HydrophobicContact CZ-CD1 4.22Å; F177-L204 HydrophobicContact CZ-CD2 3.85Å; F177-L204 HydrophobicContact CZ-CG 3.96Å; D200-L204 WeakPolarHBondContact O-CG 3.29Å; D200-L204 PolarHBondContact O-N 3.37Å; L204-T206 PolarHBondContact O-N 3.07Å; L204-L207 PolarHBondContact O-N 3.01Å; L204-E208 PolarHBondContact O-N 3.27Å |
| 205 | W | 87.9 | Confident | 86.5 | Confident | 190 Ų | 190 | 83.7 Ų | 83.7 | 72% | 0.72 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -60.2 | -34.2 | 174.8 | -179.4 | -101.5 | 0 | 0 | 0 | 113 | G201 L203 K209 | G201-W205 WeakPolarHBondContact O-CB 3.44Å; G201-W205 PolarHBondContact O-N 3.33Å; L203-W205 VanDerWaalsContact C-N 3.34Å; L203-W205 PolarHBondContact O-N 2.94Å; W205-K209 VanDerWaalsContact O-CB 3.26Å; W205-K209 WeakPolarHBondContact O-CB 3.48Å; W205-K209 PolarHBondContact O-N 3.39Å |
| 206 | T | 87.9 | Confident | 84.4 | Confident | 54 Ų | 54 | 83.8 Ų | 83.8 | 33% | 0.331 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -73.8 | -42.7 | 177.6 | -59.9 | 0 | 0 | 0 | 0 | 111.2 | I129 Q202 L203 L204 K209 E210 | I129-T206 HydrophobicContact CG2-CG2 4.18Å; Q202-T206 WeakPolarHBondContact O-CB 3.42Å; Q202-T206 PolarHBondContact O-N 2.71Å; Q202-T206 PolarHBondContact O-OG1 3.34Å; L203-T206 CarbonylContact O-C 3.58Å; L203-T206 WeakPolarHBondContact O-CA 3.49Å; L203-T206 WeakPolarHBondContact O-CB 3.39Å; L203-T206 PolarHBondContact O-N 3.17Å; L204-T206 PolarHBondContact O-N 3.07Å; T206-K209 PolarHBondContact O-N 2.88Å; T206-E210 PolarHBondContact O-N 3.3Å |
| 207 | L | 85.7 | Confident | 82.1 | Confident | 52 Ų | 52 | 89.3 Ų | 89.3 | 27% | 0.272 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -61.6 | -48.7 | 176.3 | -73.6 | 172.5 | 0 | 0 | 0 | 111.9 | I129 L203 L204 K209 E210 R211 | I129-L207 HydrophobicContact CD1-CD2 3.68Å; L203-L207 HydrophobicContact CD1-CD1 4.37Å; L203-L207 HydrophobicContact CD1-CG 4.28Å; L203-L207 HydrophobicContact CG-CD1 4.16Å; L203-L207 WeakPolarHBondContact O-CG 3.41Å; L203-L207 PolarHBondContact O-N 2.85Å; L204-L207 PolarHBondContact O-N 3.01Å; L207-K209 VanDerWaalsContact C-N 3.33Å; L207-K209 PolarHBondContact O-N 3.28Å; L207-E210 PolarHBondContact O-N 3.05Å; L207-E210 VanDerWaalsContact O-N 3.16Å; L207-R211 WeakPolarHBondContact O-CB 3.28Å; L207-R211 PolarHBondContact O-N 2.97Å |
| 208 | E | 85.9 | Confident | 79.8 | Confident | 73 Ų | 73 | 91.9 Ų | 91.9 | 34% | 0.341 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -65.1 | -37.5 | 178.9 | -178.2 | 52.6 | -146.2 | 0 | 0 | 111.2 | L204 E210 R211 Q212 | L204-E208 PolarHBondContact O-N 3.27Å; E208-E210 PolarHBondContact O-N 3.11Å; E208-R211 WeakPolarHBondContact O-CB 3.45Å; E208-R211 PolarHBondContact O-N 2.83Å; E208-R211 WeakPolarHBondContact OE2-CD 3.21Å; E208-R211 IonicContact OE2-CZ 2.72Å; E208-R211 IonicContact OE2-NE 2.85Å; E208-R211 IonicContact OE2-NH1 2.8Å; E208-R211 PolarHBondContact OE2-NH1 3.12Å; E208-Q212 VanDerWaalsContact O-CG 3.31Å; E208-Q212 WeakPolarHBondContact O-CG 3.47Å; E208-Q212 PolarHBondContact O-N 3.4Å; E208-Q212 WeakPolarHBondContact OE1-CG 3.47Å; E208-Q212 PolarHBondContact OE1-NE2 2.86Å |
| 209 | K | 85.5 | Confident | 77.5 | Confident | 104 Ų | 104 | 92.5 Ų | 92.5 | 45% | 0.452 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -66.5 | -32.8 | 172.7 | -173.1 | 171.6 | -177.1 | 173.2 | 0 | 113.5 | W205 T206 L207 R213 | W205-K209 VanDerWaalsContact O-CB 3.26Å; W205-K209 WeakPolarHBondContact O-CB 3.48Å; W205-K209 PolarHBondContact O-N 3.39Å; T206-K209 PolarHBondContact O-N 2.88Å; L207-K209 VanDerWaalsContact C-N 3.33Å; L207-K209 PolarHBondContact O-N 3.28Å; K209-R213 VanDerWaalsContact O-CD 3.3Å; K209-R213 WeakPolarHBondContact O-CD 3.29Å; K209-R213 VanDerWaalsContact O-CG 3.23Å; K209-R213 WeakPolarHBondContact O-CG 3.44Å; K209-R213 PolarHBondContact O-N 3.15Å |
| 210 | E | 82.5 | Confident | 75.2 | Confident | 50 Ų | 50 | 96.2 Ų | 96.2 | 23% | 0.234 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -72.7 | -36.3 | 171.7 | -79.1 | -158.1 | -154.2 | 0 | 0 | 112.4 | H128 T206 L207 E208 R213 K214 | H128-E210 IonicContact CE1-OE1 2.74Å; H128-E210 PolarHBondContact CE1-OE1 2.88Å; H128-E210 IonicContact NE2-OE1 3.77Å; H128-E210 PolarHBondContact NE2-OE1 3.09Å; T206-E210 PolarHBondContact O-N 3.3Å; L207-E210 PolarHBondContact O-N 3.05Å; L207-E210 VanDerWaalsContact O-N 3.16Å; E208-E210 PolarHBondContact O-N 3.11Å; E210-R213 PolarHBondContact O-N 3.17Å; E210-K214 WeakPolarHBondContact O-CG 3.39Å; E210-K214 PolarHBondContact O-N 2.85Å; E210-K214 IonicContact OE2-NZ 3.66Å; E210-K214 PolarHBondContact OE2-NZ 3.39Å |
| 211 | R | 78.4 | Confident | 73.1 | Confident | 172 Ų | 172 | 107 Ų | 107 | 65% | 0.649 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -61 | -52.3 | 175.1 | -173.8 | -167 | -173.4 | -174.1 | 2 | 111.5 | L207 E208 R213 K214 | L207-R211 WeakPolarHBondContact O-CB 3.28Å; L207-R211 PolarHBondContact O-N 2.97Å; E208-R211 WeakPolarHBondContact O-CB 3.45Å; E208-R211 PolarHBondContact O-N 2.83Å; E208-R211 WeakPolarHBondContact OE2-CD 3.21Å; E208-R211 IonicContact OE2-CZ 2.72Å; E208-R211 IonicContact OE2-NE 2.85Å; E208-R211 IonicContact OE2-NH1 2.8Å; E208-R211 PolarHBondContact OE2-NH1 3.12Å; R211-R213 PolarHBondContact O-N 3.13Å; R211-R213 VanDerWaalsContact O-N 3.1Å; R211-K214 PolarHBondContact O-N 3.36Å; R211-K214 VanDerWaalsContact O-N 3.09Å |
| 212 | Q | 78.7 | Confident | 71.6 | Confident | 131 Ų | 131 | 108.9 Ų | 108.9 | 61% | 0.612 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -60 | -19.6 | 177.2 | -70 | 173.3 | 11.2 | 0 | 0 | 113.8 | E208 | E208-Q212 VanDerWaalsContact O-CG 3.31Å; E208-Q212 WeakPolarHBondContact O-CG 3.47Å; E208-Q212 PolarHBondContact O-N 3.4Å; E208-Q212 WeakPolarHBondContact OE1-CG 3.47Å; E208-Q212 PolarHBondContact OE1-NE2 2.86Å |
| 213 | R | 75.5 | Confident | 70.4 | Confident | 185 Ų | 185 | 106.6 Ų | 106.6 | 70% | 0.698 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -90.3 | -17.4 | 178.1 | -78.9 | 172.3 | 161.2 | -166.8 | -12 | 114.5 | K209 E210 R211 | K209-R213 VanDerWaalsContact O-CD 3.3Å; K209-R213 WeakPolarHBondContact O-CD 3.29Å; K209-R213 VanDerWaalsContact O-CG 3.23Å; K209-R213 WeakPolarHBondContact O-CG 3.44Å; K209-R213 PolarHBondContact O-N 3.15Å; E210-R213 PolarHBondContact O-N 3.17Å; R211-R213 PolarHBondContact O-N 3.13Å; R211-R213 VanDerWaalsContact O-N 3.1Å |
| 214 | K | 69.9 | Low | 70.1 | Confident | 128 Ų | 128 | 109.3 Ų | 109.3 | 56% | 0.557 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -102.3 | -16.2 | -168.1 | -80 | 171.5 | 174.3 | 162.9 | 0 | 114.7 | E210 R211 G216 | E210-K214 WeakPolarHBondContact O-CG 3.39Å; E210-K214 PolarHBondContact O-N 2.85Å; E210-K214 IonicContact OE2-NZ 3.66Å; E210-K214 PolarHBondContact OE2-NZ 3.39Å; R211-K214 PolarHBondContact O-N 3.36Å; R211-K214 VanDerWaalsContact O-N 3.09Å; K214-G216 PolarHBondContact O-N 3.04Å |
| 215 | N | 54.8 | Low | 70.1 | Confident | 159 Ų | 159 | 109.7 Ų | 109.7 | 85% | 0.85 | 56% | 0.561 | S | S | * | * | trans | 45.1 | 28.2 | 178.5 | -78.9 | 4.2 | 0 | 0 | 0 | 115.3 | ||||
| 216 | G | 52.4 | Low | 70.4 | Confident | 52 Ų | 52 | 101.3 Ų | 101.3 | 54% | 0.536 | 53% | 0.531 | S | S | . | . | trans | -105.7 | 168.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | K214 | K214-G216 PolarHBondContact O-N 3.04Š| ||
| 217 | P | 48.5 | Very low | 70.8 | Confident | 117 Ų | 117 | 100.1 Ų | 100.1 | 76% | 0.76 | 53% | 0.525 | S | S | * | . | S | Bend | trans | -57.7 | 155.3 | 169.2 | 27.4 | -35.1 | 0 | 0 | 0 | 110.7 | I219 | P217-I219 PolarHBondContact O-N 3.38Å; P217-I219 VanDerWaalsContact O-N 3.1Å |
| 218 | P | 48.6 | Very low | 71.3 | Confident | 116 Ų | 116 | 98.9 Ų | 98.9 | 75% | 0.753 | 52% | 0.517 | S | S | * | . | P | Polyproline II helix | trans | -60.5 | 117.9 | -176.2 | 24.7 | -34.1 | 0 | 0 | 0 | 110.9 | S220 | P218-S220 PolarHBondContact O-N 3.39Š|
| 219 | I | 46.2 | Very low | 71.7 | Confident | 140 Ų | 140 | 96.3 Ų | 96.3 | 72% | 0.718 | 51% | 0.506 | S | S | * | . | P | Polyproline II helix | trans | -56.8 | 135.3 | 165.1 | -62.6 | 175.1 | 0 | 0 | 0 | 107.3 | P217 R221 | P217-I219 PolarHBondContact O-N 3.38Å; P217-I219 VanDerWaalsContact O-N 3.1Å; I219-R221 PolarHBondContact O-N 3.15Å; I219-R221 VanDerWaalsContact O-N 3.16Å |
| 220 | S | 47.8 | Very low | 72.1 | Confident | 109 Ų | 109 | 94 Ų | 94 | 76% | 0.762 | 51% | 0.507 | S | S | * | . | S | Bend | trans | -46.4 | 116.5 | -170.9 | 50.6 | 0 | 0 | 0 | 0 | 113 | P218 | P218-S220 PolarHBondContact O-N 3.39Š|
| 221 | R | 51.3 | Low | 72.6 | Confident | 237 Ų | 237 | 92.4 Ų | 92.4 | 89% | 0.894 | 50% | 0.504 | S | S | * | . | trans | 14.7 | 101.1 | 170.3 | -79.9 | 178.6 | 159.5 | 175.7 | -7.3 | 115.1 | I219 G223 | I219-R221 PolarHBondContact O-N 3.15Å; I219-R221 VanDerWaalsContact O-N 3.16Å; R221-G223 PolarHBondContact O-N 3.07Å | ||
| 222 | S | 61.7 | Low | 73.2 | Confident | 81 Ų | 81 | 87.8 Ų | 87.8 | 57% | 0.566 | 49% | 0.486 | S | S | * | . | P | Polyproline II helix | trans | -53.1 | 131.1 | 149.8 | 52.3 | 0 | 0 | 0 | 0 | 108.6 | ||
| 223 | G | 67.3 | Low | 73.8 | Confident | 9 Ų | 9 | 82 Ų | 82 | 9% | 0.093 | 46% | 0.46 | C | S | . | . | P | Polyproline II helix | trans | -61 | 168.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.8 | S176 R221 | S176-G223 WeakPolarHBondContact O-CA 3.49Å; R221-G223 PolarHBondContact O-N 3.07Å |
| 224 | P | 85.4 | Confident | 74.4 | Confident | 65 Ų | 65 | 76 Ų | 76 | 42% | 0.422 | 44% | 0.442 | S | S | . | . | P | Polyproline II helix | trans | -57.8 | 148.3 | 175.1 | 28.5 | -36.6 | 0 | 0 | 0 | 110.6 | S176 L181 | S176-P224 VanDerWaalsContact CB-O 3.27Å; S176-P224 WeakPolarHBondContact CB-O 3.29Å; S176-P224 PolarHBondContact OG-O 2.87Å; L181-P224 WeakPolarHBondContact O-CD 3.39Å; L181-P224 WeakPolarHBondContact O-CG 3.38Å |
| 225 | S | 90.3 | Very high | 75.1 | Confident | 79 Ų | 79 | 71.5 Ų | 71.5 | 55% | 0.552 | 43% | 0.425 | S | S | * | . | P | Polyproline II helix | trans | -54.6 | 134.2 | 171.7 | -63 | 0 | 0 | 0 | 0 | 110.2 | ||
| 226 | P | 94.8 | Very high | 76.6 | Confident | 14 Ų | 14 | 70.2 Ų | 70.2 | 9% | 0.091 | 41% | 0.412 | C | S | . | . | P | Polyproline II helix | trans | -67.3 | 144.9 | 176.7 | 29.5 | -34.3 | 0 | 0 | 0 | 110.1 | T172 F177 V183 | T172-P226 HydrophobicContact CG2-CB 3.98Å; F177-P226 VanDerWaalsContact CE2-CD 3.42Å; F177-P226 HydrophobicContact CE2-CG 4.09Å; F177-P226 VanDerWaalsContact CZ-CD 3.4Å; F177-P226 HydrophobicContact CZ-CG 4.49Å; V183-P226 WeakPolarHBondContact O-CA 3.27Å |
| 227 | C | 95.1 | Very high | 78.3 | Confident | 30 Ų | 30 | 69 Ų | 69 | 20% | 0.203 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 146.2 | 166.3 | -179.9 | 0 | 0 | 0 | 0 | 109.3 | V183 T184 G185 G249 | V183-C227 PolarHBondContact O-N 2.78Å; T184-C227 CarbonylContact C-O 3.57Å; T184-C227 WeakPolarHBondContact CA-O 3.46Å; T184-C227 HydrophobicContact CG2-CB 4.28Å; G185-C227 PolarHBondContact N-O 3.14Å; C227-G249 WeakPolarHBondContact SG-CA 3.44Å; C227-G249 PolarHBondContact SG-O 2.9Å |
| 228 | H | 96.4 | Very high | 80.4 | Confident | 25 Ų | 25 | 65.9 Ų | 65.9 | 12% | 0.116 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 125.6 | 169.6 | -55.6 | -77.2 | 0 | 0 | 0 | 110.3 | G185 V193 D200 | G185-H228 CarbonylContact O-C 3.56Å; G185-H228 WeakPolarHBondContact O-CA 3.45Å; V193-H228 HydrophobicContact CG1-CB 3.87Å; D200-H228 IonicContact OD2-CD2 3.27Å; D200-H228 PolarHBondContact OD2-CD2 3.21Å; D200-H228 IonicContact OD2-CE1 2.77Å; D200-H228 IonicContact OD2-NE2 3.92Å; D200-H228 PolarHBondContact OD2-NE2 3Å |
| 229 | V | 95.3 | Very high | 82.5 | Confident | 19 Ų | 19 | 64.3 Ų | 64.3 | 12% | 0.115 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 123.7 | -178.8 | 178.1 | 0 | 0 | 0 | 0 | 109.2 | T184 G185 I186 E187 G231 Q245 | T184-V229 HydrophobicContact CG2-CG2 3.85Å; G185-V229 PolarHBondContact O-N 3.36Å; I186-V229 HydrophobicContact CG1-CB 4.36Å; E187-V229 PolarHBondContact N-O 2.7Å; E187-V229 VanDerWaalsContact N-O 3.1Å; V229-G231 PolarHBondContact O-N 3.21Å; V229-Q245 HydrophobicContact CG1-CG 4.46Å |
| 230 | A | 94.5 | Very high | 84.8 | Confident | 56 Ų | 56 | 64 Ų | 64 | 46% | 0.463 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 115 | 167.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | E187 P190 V193 | E187-A230 CarbonylContact O-C 3.6Å; E187-A230 WeakPolarHBondContact O-CA 3.18Å; P190-A230 HydrophobicContact CB-CB 4.26Å; P190-A230 HydrophobicContact CG-CB 4.27Å; V193-A230 HydrophobicContact CG1-CB 4.47Å; V193-A230 HydrophobicContact CG2-CB 4.12Å |
| 231 | G | 91.6 | Very high | 86.8 | Confident | 16 Ų | 16 | 63 Ų | 63 | 17% | 0.165 | 34% | 0.337 | C | S | . | . | trans | 179.9 | 139.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | I186 E187 V229 | I186-G231 WeakPolarHBondContact CG2-O 3.43Å; E187-G231 CarbonylContact C-O 3.58Å; E187-G231 PolarHBondContact O-N 3.01Å; V229-G231 PolarHBondContact O-N 3.21Å | ||
| 232 | W | 90.9 | Very high | 88.8 | Confident | 75 Ų | 75 | 51.8 Ų | 51.8 | 28% | 0.284 | 29% | 0.294 | S | S | . | . | trans | -79.7 | 132.6 | 165.7 | 178.9 | 76.6 | 0 | 0 | 0 | 109.6 | A188 N234 Q245 P423 | A188-W232 HydrophobicContact CB-CB 4.36Å; W232-N234 HydrophobicContact CE3-CB 3.88Å; W232-N234 HydrophobicContact CH2-CB 4.13Å; W232-N234 VanDerWaalsContact CZ3-CA 3.48Å; W232-N234 HydrophobicContact CZ3-CB 3.44Å; W232-N234 VanDerWaalsContact CZ3-CB 3.44Å; W232-N234 PolarHBondContact O-N 2.99Å; W232-Q245 PolarHBondContact O-NE2 3.28Å; W232-P423 HydrophobicContact CE3-CB 4.49Å; W232-P423 HydrophobicContact CH2-CB 3.87Å; W232-P423 HydrophobicContact CZ3-CB 3.84Å | ||
| 233 | V | 91.4 | Very high | 90.2 | Very high | 10 Ų | 10 | 49.1 Ų | 49.1 | 6% | 0.061 | 28% | 0.275 | C | S | . | . | trans | -87.5 | 108.8 | 176.2 | -179.2 | 0 | 0 | 0 | 0 | 109 | V164 I186 F242 T385 | V164-V233 HydrophobicContact CG1-CB 4.37Å; V164-V233 HydrophobicContact CG1-CG2 3.62Å; I186-V233 HydrophobicContact CB-CG2 4.5Å; I186-V233 HydrophobicContact CD1-CG2 4.33Å; I186-V233 HydrophobicContact CG2-CG2 3.74Å; V233-F242 HydrophobicContact CG1-CD2 3.82Å; V233-F242 HydrophobicContact CG1-CE2 3.81Å; V233-F242 HydrophobicContact CG2-CE2 4.2Å; V233-T385 HydrophobicContact CB-CG2 4.25Å; V233-T385 HydrophobicContact CG1-CG2 3.69Å | ||
| 234 | N | 88.4 | Confident | 91.3 | Very high | 59 Ų | 59 | 54.6 Ų | 54.6 | 32% | 0.316 | 30% | 0.296 | S | S | . | . | trans | -73.6 | 123.6 | -179.1 | 179.1 | 3.5 | 0 | 0 | 0 | 111 | W232 K236 A237 H389 | W232-N234 HydrophobicContact CE3-CB 3.88Å; W232-N234 HydrophobicContact CH2-CB 4.13Å; W232-N234 VanDerWaalsContact CZ3-CA 3.48Å; W232-N234 HydrophobicContact CZ3-CB 3.44Å; W232-N234 VanDerWaalsContact CZ3-CB 3.44Å; W232-N234 PolarHBondContact O-N 2.99Å; N234-K236 PolarHBondContact O-N 3.29Å; N234-K236 PolarHBondContact OD1-N 2.96Å; N234-A237 HydrophobicContact CB-CB 3.82Å; N234-A237 PolarHBondContact O-N 2.77Å; N234-H389 PolarHBondContact O-NE2 2.79Å | ||
| 235 | P | 84.7 | Confident | 91.5 | Very high | 33 Ų | 33 | 53.7 Ų | 53.7 | 21% | 0.214 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -21.7 | 175.1 | 25.2 | -33 | 0 | 0 | 0 | 114.1 | T385 | P235-T385 HydrophobicContact CB-CG2 4.28Š|
| 236 | K | 85.7 | Confident | 91.4 | Very high | 133 Ų | 133 | 51 Ų | 51 | 58% | 0.578 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.8 | 3.4 | 178.2 | -61.6 | -168 | 176.1 | -169 | 0 | 113.9 | N234 | N234-K236 PolarHBondContact O-N 3.29Å; N234-K236 PolarHBondContact OD1-N 2.96Å |
| 237 | A | 88.8 | Confident | 90.6 | Very high | 25 Ų | 25 | 52 Ų | 52 | 21% | 0.207 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -68.7 | 149.9 | 174 | 0 | 0 | 0 | 0 | 0 | 111 | N234 D241 | N234-A237 HydrophobicContact CB-CB 3.82Å; N234-A237 PolarHBondContact O-N 2.77Å; A237-D241 HydrophobicContact CB-CB 4.11Å |
| 238 | S | 92.9 | Very high | 88.9 | Confident | 52 Ų | 52 | 55.7 Ų | 55.7 | 36% | 0.364 | 30% | 0.297 | S | S | . | . | trans | -68.4 | 159.2 | 169.4 | 79.7 | 0 | 0 | 0 | 0 | 110.2 | K240 D241 F242 | S238-K240 PolarHBondContact O-N 2.85Å; S238-K240 PolarHBondContact OG-N 2.82Å; S238-D241 VanDerWaalsContact CB-OD2 3.23Å; S238-D241 WeakPolarHBondContact CB-OD2 3.22Å; S238-D241 PolarHBondContact N-OD2 3.13Å; S238-D241 PolarHBondContact O-N 2.93Å; S238-D241 VanDerWaalsContact O-N 3.12Å; S238-D241 PolarHBondContact OG-N 2.68Å; S238-D241 PolarHBondContact OG-OD2 3.36Å; S238-F242 PolarHBondContact O-N 2.77Å; S238-F242 VanDerWaalsContact O-N 3.07Å | ||
| 239 | W | 92.4 | Very high | 86.7 | Confident | 84 Ų | 84 | 55.7 Ų | 55.7 | 32% | 0.318 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -61.5 | -28.7 | 174.6 | 68.7 | -102.4 | 0 | 0 | 0 | 112.1 | F242 V243 C393 P394 H395 | W239-F242 PolarHBondContact O-N 2.83Å; W239-V243 HydrophobicContact CE3-CG2 4.17Å; W239-V243 WeakPolarHBondContact O-CB 3.37Å; W239-V243 WeakPolarHBondContact O-CG2 3.48Å; W239-V243 PolarHBondContact O-N 3.01Å; W239-C393 HydrophobicContact CB-CB 3.65Å; W239-P394 HydrophobicContact CD2-CG 4.38Å; W239-P394 HydrophobicContact CE3-CG 4.35Å; W239-P394 HydrophobicContact CH2-CG 4.24Å; W239-P394 HydrophobicContact CZ2-CG 4.26Å; W239-P394 HydrophobicContact CZ3-CG 4.29Å; W239-H395 AromaticContact CZ3-CD2 3.77Å; W239-H395 AromaticContact CZ3-NE2 3.71Å |
| 240 | K | 93.5 | Very high | 84.2 | Confident | 132 Ų | 132 | 62.6 Ų | 62.6 | 57% | 0.574 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -65.2 | -42.3 | 174.4 | -67.5 | -170.5 | 174 | -168.5 | 0 | 111.4 | S238 V243 K244 | S238-K240 PolarHBondContact O-N 2.85Å; S238-K240 PolarHBondContact OG-N 2.82Å; K240-V243 PolarHBondContact O-N 3.48Å; K240-K244 WeakPolarHBondContact O-CB 3.31Å; K240-K244 PolarHBondContact O-N 3.24Å |
| 241 | D | 91.6 | Very high | 81 | Confident | 89 Ų | 89 | 65.4 Ų | 65.4 | 48% | 0.476 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -67.3 | -40.2 | 177.5 | -55.2 | -55.8 | 0 | 0 | 0 | 111.5 | A237 S238 K244 Q245 | A237-D241 HydrophobicContact CB-CB 4.11Å; S238-D241 VanDerWaalsContact CB-OD2 3.23Å; S238-D241 WeakPolarHBondContact CB-OD2 3.22Å; S238-D241 PolarHBondContact N-OD2 3.13Å; S238-D241 PolarHBondContact O-N 2.93Å; S238-D241 VanDerWaalsContact O-N 3.12Å; S238-D241 PolarHBondContact OG-N 2.68Å; S238-D241 PolarHBondContact OG-OD2 3.36Å; D241-K244 PolarHBondContact O-N 2.78Å; D241-Q245 WeakPolarHBondContact O-CB 3.47Å; D241-Q245 PolarHBondContact O-N 3.18Å |
| 242 | F | 92.2 | Very high | 78 | Confident | 1 Ų | 1 | 71 Ų | 71 | 0% | 0.004 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -63.8 | -45 | 174.6 | 176.9 | -119.7 | 0 | 0 | 0 | 111.8 | V162 I186 V233 S238 W239 K244 Q245 V246 F371 L373 H389 | V162-F242 HydrophobicContact CG1-CZ 4.41Å; I186-F242 HydrophobicContact CD1-CE2 4.13Å; V233-F242 HydrophobicContact CG1-CD2 3.82Å; V233-F242 HydrophobicContact CG1-CE2 3.81Å; V233-F242 HydrophobicContact CG2-CE2 4.2Å; S238-F242 PolarHBondContact O-N 2.77Å; S238-F242 VanDerWaalsContact O-N 3.07Å; W239-F242 PolarHBondContact O-N 2.83Å; F242-K244 VanDerWaalsContact C-N 3.33Å; F242-K244 PolarHBondContact O-N 2.85Å; F242-Q245 WeakPolarHBondContact O-CB 3.45Å; F242-Q245 PolarHBondContact O-N 2.83Å; F242-V246 HydrophobicContact CE2-CG2 4.41Å; F242-V246 HydrophobicContact CZ-CG2 4.38Å; F242-V246 WeakPolarHBondContact O-CG2 3.44Å; F242-V246 PolarHBondContact O-N 3.07Å; F242-F371 HydrophobicContact CD1-CZ 4.49Å; F242-F371 HydrophobicContact CE1-CE2 4.07Å; F242-F371 AromaticContact CE1-CZ 3.89Å; F242-F371 HydrophobicContact CE1-CZ 3.89Å; F242-L373 HydrophobicContact CZ-CD1 3.99Å; F242-H389 HydrophobicContact CD1-CB 4.05Å; F242-H389 AromaticContact CD1-CG 3.95Å; F242-H389 AromaticContact CD1-ND1 3.87Å; F242-H389 HydrophobicContact CE1-CB 4.04Å; F242-H389 AromaticContact CG-CG 3.99Å; F242-H389 AromaticContact CG-ND1 3.75Å |
| 243 | V | 91.7 | Very high | 75.1 | Confident | 25 Ų | 25 | 73.3 Ų | 73.3 | 15% | 0.152 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -60.5 | -40.9 | 172.8 | 161.1 | 0 | 0 | 0 | 0 | 111.6 | W239 K240 Q245 V246 G247 C368 F371 | W239-V243 HydrophobicContact CE3-CG2 4.17Å; W239-V243 WeakPolarHBondContact O-CB 3.37Å; W239-V243 WeakPolarHBondContact O-CG2 3.48Å; W239-V243 PolarHBondContact O-N 3.01Å; K240-V243 PolarHBondContact O-N 3.48Å; V243-Q245 VanDerWaalsContact C-N 3.35Å; V243-Q245 PolarHBondContact O-N 3.29Å; V243-V246 WeakPolarHBondContact O-CB 3.27Å; V243-V246 PolarHBondContact O-N 3.15Å; V243-G247 PolarHBondContact O-N 3.35Å; V243-C368 HydrophobicContact CG1-CB 3.94Å; V243-C368 WeakPolarHBondContact CG1-SG 3.33Å; V243-F371 HydrophobicContact CG2-CE1 4.36Å |
| 244 | K | 90.6 | Very high | 72 | Confident | 124 Ų | 124 | 81.9 Ų | 81.9 | 54% | 0.539 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -64.2 | -38.5 | 175.4 | -170.6 | 172.4 | -176.8 | 174 | 0 | 112 | K240 D241 F242 G247 N248 | K240-K244 WeakPolarHBondContact O-CB 3.31Å; K240-K244 PolarHBondContact O-N 3.24Å; D241-K244 PolarHBondContact O-N 2.78Å; F242-K244 VanDerWaalsContact C-N 3.33Å; F242-K244 PolarHBondContact O-N 2.85Å; K244-G247 PolarHBondContact O-N 3.06Å; K244-N248 WeakPolarHBondContact O-CB 3.37Å; K244-N248 VanDerWaalsContact O-CG 3.23Å; K244-N248 PolarHBondContact O-N 2.62Å; K244-N248 PolarHBondContact O-OD1 3.41Å |
| 245 | Q | 89.9 | Confident | 69.1 | Low | 46 Ų | 46 | 85.8 Ų | 85.8 | 22% | 0.215 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -62.1 | -40.9 | 173 | -172.8 | 174.3 | 42.5 | 0 | 0 | 112 | V229 W232 D241 F242 V243 | V229-Q245 HydrophobicContact CG1-CG 4.46Å; W232-Q245 PolarHBondContact O-NE2 3.28Å; D241-Q245 WeakPolarHBondContact O-CB 3.47Å; D241-Q245 PolarHBondContact O-N 3.18Å; F242-Q245 WeakPolarHBondContact O-CB 3.45Å; F242-Q245 PolarHBondContact O-N 2.83Å; V243-Q245 VanDerWaalsContact C-N 3.35Å; V243-Q245 PolarHBondContact O-N 3.29Å |
| 246 | V | 87.1 | Confident | 66.3 | Low | 22 Ų | 22 | 96.1 Ų | 96.1 | 13% | 0.133 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -65.8 | -43.5 | 172.6 | 175.3 | 0 | 0 | 0 | 0 | 111.6 | V162 T184 I186 F242 V243 | V162-V246 HydrophobicContact CG1-CG2 4.01Å; V162-V246 HydrophobicContact CG2-CG1 3.72Å; V162-V246 HydrophobicContact CG2-CG2 3.91Å; T184-V246 HydrophobicContact CG2-CG1 4.38Å; I186-V246 HydrophobicContact CD1-CG2 3.88Å; F242-V246 HydrophobicContact CE2-CG2 4.41Å; F242-V246 HydrophobicContact CZ-CG2 4.38Å; F242-V246 WeakPolarHBondContact O-CG2 3.44Å; F242-V246 PolarHBondContact O-N 3.07Å; V243-V246 WeakPolarHBondContact O-CB 3.27Å; V243-V246 PolarHBondContact O-N 3.15Å |
| 247 | G | 77.3 | Confident | 63.4 | Low | 35 Ų | 35 | 95.7 Ų | 95.7 | 36% | 0.361 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -71.3 | -38.6 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | V243 K244 G249 K250 | V243-G247 PolarHBondContact O-N 3.35Å; K244-G247 PolarHBondContact O-N 3.06Å; G247-G249 PolarHBondContact O-N 2.8Å; G247-K250 PolarHBondContact O-N 3.19Å; G247-K250 VanDerWaalsContact O-N 3.13Å |
| 248 | N | 60 | Low | 60.3 | Low | 108 Ų | 108 | 99.1 Ų | 99.1 | 58% | 0.578 | 54% | 0.536 | S | S | * | . | G | 310 helix | trans | -56.8 | -23.3 | -177.4 | -79.9 | 4.1 | 0 | 0 | 0 | 113.9 | K244 K250 | K244-N248 WeakPolarHBondContact O-CB 3.37Å; K244-N248 VanDerWaalsContact O-CG 3.23Å; K244-N248 PolarHBondContact O-N 2.62Å; K244-N248 PolarHBondContact O-OD1 3.41Å; N248-K250 PolarHBondContact O-N 3.47Å |
| 249 | G | 50.3 | Low | 57.1 | Low | 26 Ų | 26 | 102.6 Ų | 102.6 | 27% | 0.268 | 56% | 0.557 | S | S | . | * | G | 310 helix | trans | -65.2 | -12.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | C227 G247 C251 | C227-G249 WeakPolarHBondContact SG-CA 3.44Å; C227-G249 PolarHBondContact SG-O 2.9Å; G247-G249 PolarHBondContact O-N 2.8Å; G249-C251 VanDerWaalsContact C-N 3.35Å; G249-C251 PolarHBondContact O-N 3.41Å |
| 250 | K | 42.7 | Very low | 53.9 | Low | 164 Ų | 164 | 103.9 Ų | 103.9 | 71% | 0.713 | 59% | 0.586 | S | S | * | * | G | 310 helix | trans | -76.7 | -13.2 | -179.6 | -69.5 | -176.1 | 176.6 | 179.8 | 0 | 114.8 | G247 N248 V252 | G247-K250 PolarHBondContact O-N 3.19Å; G247-K250 VanDerWaalsContact O-N 3.13Å; N248-K250 PolarHBondContact O-N 3.47Å; K250-V252 PolarHBondContact O-N 2.87Å |
| 251 | C | 27.2 | Very low | 50.6 | Low | 115 Ų | 115 | 101.2 Ų | 101.2 | 78% | 0.777 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -94.5 | 14.7 | -161.4 | -155.9 | 0 | 0 | 0 | 0 | 116.5 | G249 | G249-C251 VanDerWaalsContact C-N 3.35Å; G249-C251 PolarHBondContact O-N 3.41Å |
| 252 | V | 29.2 | Very low | 47.5 | Very low | 132 Ų | 132 | 102.6 Ų | 102.6 | 80% | 0.8 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -135.5 | 51.3 | -175.2 | -160.7 | 0 | 0 | 0 | 0 | 112.5 | K250 | K250-V252 PolarHBondContact O-N 2.87Š|
| 253 | C | 28.9 | Very low | 44.2 | Very low | 124 Ų | 124 | 108.4 Ų | 108.4 | 84% | 0.838 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -153.1 | 38.8 | 176.9 | -122.4 | 0 | 0 | 0 | 0 | 115.7 | ||
| 254 | E | 26.8 | Very low | 41.1 | Very low | 190 Ų | 190 | 117.2 Ų | 117.2 | 89% | 0.888 | 69% | 0.69 | S | S | * | * | trans | -143.3 | 157.6 | 170.5 | -124.6 | 150.6 | -142.6 | 0 | 0 | 113.1 | ||||
| 255 | D | 26.8 | Very low | 37.9 | Very low | 141 Ų | 141 | 120.4 Ų | 120.4 | 75% | 0.754 | 70% | 0.703 | S | S | * | * | trans | 41.9 | 89.9 | -179.4 | -78.5 | -8.8 | 0 | 0 | 0 | 120.3 | ||||
| 256 | R | 26 | Very low | 34.7 | Very low | 251 Ų | 251 | 129.2 Ų | 129.2 | 95% | 0.947 | 74% | 0.735 | S | S | * | * | trans | -128.4 | 92.5 | 133.5 | -74 | -165 | 176.2 | -163.8 | -1.7 | 110.8 | A258 | R256-A258 PolarHBondContact O-N 2.67Š| ||
| 257 | T | 25.1 | Very low | 31.7 | Very low | 124 Ų | 124 | 137.5 Ų | 137.5 | 76% | 0.761 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 129 | 167.7 | 38.9 | 0 | 0 | 0 | 0 | 110.4 | ||
| 258 | A | 23.8 | Very low | 29 | Very low | 96 Ų | 96 | 147.1 Ų | 147.1 | 79% | 0.793 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -93.2 | 123.1 | -178 | 0 | 0 | 0 | 0 | 0 | 111.2 | R256 | R256-A258 PolarHBondContact O-N 2.67Š|
| 259 | P | 25.8 | Very low | 27.2 | Very low | 125 Ų | 125 | 151.2 Ų | 151.2 | 81% | 0.812 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 139.2 | 169.3 | 30.5 | -33 | 0 | 0 | 0 | 110.4 | ||
| 260 | A | 24.7 | Very low | 25.8 | Very low | 112 Ų | 112 | 154.9 Ų | 154.9 | 93% | 0.926 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 134.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 261 | G | 25.2 | Very low | 24.7 | Very low | 75 Ų | 75 | 156.1 Ų | 156.1 | 77% | 0.773 | 85% | 0.845 | S | S | * | * | trans | -128.7 | 134.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 262 | S | 25.9 | Very low | 24.5 | Very low | 119 Ų | 119 | 156.2 Ų | 156.2 | 83% | 0.832 | 85% | 0.847 | S | S | * | * | trans | -82.4 | 143.9 | -161.7 | 52.6 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 263 | S | 22.8 | Very low | 24.1 | Very low | 123 Ų | 123 | 159.1 Ų | 159.1 | 86% | 0.86 | 85% | 0.852 | S | S | * | * | trans | -68.6 | 129.6 | 175.9 | -57.4 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 264 | K | 26.1 | Very low | 23.8 | Very low | 210 Ų | 210 | 158.1 Ų | 158.1 | 91% | 0.913 | 85% | 0.852 | S | S | * | * | trans | -123 | 156.2 | 152.1 | -74.4 | -172.8 | 177.4 | 178.8 | 0 | 109.8 | ||||
| 265 | K | 24.2 | Very low | 23.6 | Very low | 190 Ų | 190 | 155.6 Ų | 155.6 | 83% | 0.826 | 85% | 0.845 | S | S | * | * | trans | -141.5 | 140.3 | -154.7 | -163.9 | -174.7 | -171.2 | 176.3 | 0 | 111.1 | ||||
| 266 | R | 23 | Very low | 23.5 | Very low | 232 Ų | 232 | 157.8 Ų | 157.8 | 88% | 0.875 | 85% | 0.851 | S | S | * | * | trans | 70.9 | 158.9 | -178.5 | -64.6 | 177.2 | 163.6 | 176.5 | -6.9 | 113.2 | ||||
| 267 | Q | 23 | Very low | 23.4 | Very low | 195 Ų | 195 | 153.8 Ų | 153.8 | 91% | 0.911 | 84% | 0.843 | S | S | * | * | cis | -113.2 | -166.4 | 13 | -77.7 | 175.1 | -69.3 | 0 | 0 | 114.9 | ||||
| 268 | R | 21.5 | Very low | 23.4 | Very low | 237 Ų | 237 | 157.1 Ų | 157.1 | 89% | 0.894 | 85% | 0.849 | S | S | * | * | trans | -144.2 | 116 | -167.6 | 172.3 | -160.3 | -171.1 | -165 | 5 | 107.8 | ||||
| 269 | E | 21.5 | Very low | 23.3 | Very low | 195 Ų | 195 | 155.3 Ų | 155.3 | 91% | 0.911 | 84% | 0.84 | S | S | * | * | trans | -130.1 | 173.3 | 168.4 | -68.1 | -170.7 | 141 | 0 | 0 | 109.5 | ||||
| 270 | S | 21 | Very low | 23.2 | Very low | 103 Ų | 103 | 158.9 Ų | 158.9 | 72% | 0.72 | 85% | 0.846 | S | S | * | * | trans | -153.6 | 143.9 | -154.2 | 53.9 | 0 | 0 | 0 | 0 | 115 | ||||
| 271 | M | 19.9 | Very low | 23.1 | Very low | 189 Ų | 189 | 156.6 Ų | 156.6 | 93% | 0.931 | 83% | 0.833 | S | S | * | * | trans | 68.9 | 142.9 | 174.1 | -57.9 | 169.7 | 64.7 | 0 | 0 | 113 | ||||
| 272 | S | 23.4 | Very low | 22.9 | Very low | 118 Ų | 118 | 161.1 Ų | 161.1 | 83% | 0.825 | 84% | 0.839 | S | S | * | * | cis | -139.8 | -174.8 | 36.7 | 54.9 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 273 | E | 21.3 | Very low | 22.7 | Very low | 193 Ų | 193 | 164.1 Ų | 164.1 | 90% | 0.902 | 84% | 0.84 | S | S | * | * | trans | -92.2 | 149.8 | 179.1 | -60.8 | 167.1 | 120.5 | 0 | 0 | 112.6 | ||||
| 274 | A | 22.7 | Very low | 22.7 | Very low | 102 Ų | 102 | 164 Ų | 164 | 84% | 0.843 | 84% | 0.836 | S | S | * | * | trans | -159.7 | 141 | 156.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 275 | D | 21.8 | Very low | 22.5 | Very low | 137 Ų | 137 | 160 Ų | 160 | 73% | 0.733 | 83% | 0.829 | S | S | * | * | trans | -69.6 | 147.9 | 176.8 | -91.9 | -64.9 | 0 | 0 | 0 | 113.7 | ||||
| 276 | Q | 25.4 | Very low | 22.3 | Very low | 188 Ų | 188 | 159.1 Ų | 159.1 | 88% | 0.879 | 83% | 0.833 | S | S | * | * | -165.2 | 148.9 | 111 | -107.6 | 164.6 | 72.9 | 0 | 0 | 114.9 | |||||
| 277 | Q | 22.3 | Very low | 22.3 | Very low | 167 Ų | 167 | 153.5 Ų | 153.5 | 78% | 0.78 | 83% | 0.825 | S | S | * | * | trans | -94.6 | 137.9 | -175.9 | -57.2 | 162.9 | 1.6 | 0 | 0 | 110.8 | ||||
| 278 | H | 25.5 | Very low | 22.2 | Very low | 193 Ų | 193 | 148.9 Ų | 148.9 | 89% | 0.894 | 82% | 0.82 | S | S | * | * | trans | -158.6 | 148.3 | 154.3 | -92.1 | 80.9 | 0 | 0 | 0 | 107.5 | ||||
| 279 | G | 21.3 | Very low | 22.3 | Very low | 59 Ų | 59 | 146.1 Ų | 146.1 | 61% | 0.608 | 82% | 0.817 | S | S | * | * | cis | 165.4 | -2.8 | -1.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 280 | H | 24.4 | Very low | 22.6 | Very low | 200 Ų | 200 | 139.5 Ų | 139.5 | 93% | 0.926 | 79% | 0.792 | S | S | * | * | trans | -151.3 | 156.2 | 178.1 | -75.5 | -71.8 | 0 | 0 | 0 | 109.9 | ||||
| 281 | G | 22 | Very low | 22.9 | Very low | 64 Ų | 64 | 139.1 Ų | 139.1 | 66% | 0.66 | 78% | 0.779 | S | S | * | * | cis | 166.1 | 61.2 | -1.6 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 282 | D | 22 | Very low | 23.4 | Very low | 169 Ų | 169 | 138.5 Ų | 138.5 | 90% | 0.904 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -70 | 132.6 | -171.1 | -70.2 | -37.2 | 0 | 0 | 0 | 114.5 | ||
| 283 | Q | 21.5 | Very low | 23.7 | Very low | 182 Ų | 182 | 136.4 Ų | 136.4 | 85% | 0.85 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -89.6 | 133.8 | 164.5 | -66.1 | -171.7 | 8 | 0 | 0 | 110.5 | V285 | Q283-V285 PolarHBondContact O-N 2.82Š|
| 284 | P | 23.5 | Very low | 23.8 | Very low | 120 Ų | 120 | 129.2 Ų | 129.2 | 78% | 0.779 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 118.8 | 178 | 30.3 | -33.3 | 0 | 0 | 0 | 111.8 | L286 | P284-L286 PolarHBondContact O-N 2.92Š|
| 285 | V | 22.1 | Very low | 24 | Very low | 126 Ų | 126 | 129 Ų | 129 | 76% | 0.764 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 128.3 | 168.3 | 176.4 | 0 | 0 | 0 | 0 | 109.5 | Q283 T287 | Q283-V285 PolarHBondContact O-N 2.82Å; V285-T287 PolarHBondContact O-N 3.5Å |
| 286 | L | 19.8 | Very low | 24.2 | Very low | 172 Ų | 172 | 127.8 Ų | 127.8 | 90% | 0.901 | 72% | 0.721 | S | S | * | * | trans | -75.9 | 90.9 | -177.1 | -70.8 | 171.2 | 0 | 0 | 0 | 112.3 | P284 | P284-L286 PolarHBondContact O-N 2.92Š| ||
| 287 | T | 21.5 | Very low | 24.3 | Very low | 115 Ų | 115 | 125.6 Ų | 125.6 | 71% | 0.706 | 72% | 0.716 | S | S | * | * | trans | -87.2 | 112 | 169.1 | 43.6 | 0 | 0 | 0 | 0 | 111.7 | V285 E289 | V285-T287 PolarHBondContact O-N 3.5Å; T287-E289 PolarHBondContact O-N 2.97Å | ||
| 288 | A | 21.4 | Very low | 24.5 | Very low | 97 Ų | 97 | 122.3 Ų | 122.3 | 80% | 0.802 | 70% | 0.704 | S | S | * | * | trans | -75.6 | 90 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 289 | E | 23.8 | Very low | 24.3 | Very low | 179 Ų | 179 | 117.1 Ų | 117.1 | 84% | 0.836 | 70% | 0.702 | S | S | * | * | trans | -75.9 | 120.4 | 172.6 | -65.9 | -163.6 | 135.6 | 0 | 0 | 111.6 | T287 | T287-E289 PolarHBondContact O-N 2.97Š| ||
| 290 | S | 27.4 | Very low | 24.5 | Very low | 56 Ų | 56 | 123.5 Ų | 123.5 | 39% | 0.392 | 72% | 0.716 | S | S | . | * | trans | -64.7 | 144.1 | 164.6 | 53.1 | 0 | 0 | 0 | 0 | 110.7 | F292 | S290-F292 VanDerWaalsContact C-N 3.34Å; S290-F292 PolarHBondContact O-N 3.21Å | ||
| 291 | E | 29 | Very low | 24.4 | Very low | 96 Ų | 96 | 119 Ų | 119 | 45% | 0.449 | 71% | 0.714 | S | S | . | * | trans | -59.5 | 81.3 | -174.1 | -64.5 | -165 | 149.7 | 0 | 0 | 114.4 | L293 R486 | E291-L293 PolarHBondContact O-N 3.2Å; E291-R486 IonicContact OE1-CZ 2.78Å; E291-R486 IonicContact OE1-NE 3.23Å; E291-R486 PolarHBondContact OE1-NE 3.41Å; E291-R486 IonicContact OE1-NH2 3.2Å; E291-R486 PolarHBondContact OE1-NH2 2.75Å; E291-R486 IonicContact OE2-NE 2.68Å; E291-R486 IonicContact OE2-NH2 3.67Å | ||
| 292 | F | 29.3 | Very low | 24.4 | Very low | 175 Ų | 175 | 120.9 Ų | 120.9 | 77% | 0.768 | 72% | 0.723 | S | S | * | * | trans | -87.3 | 77.1 | -170.9 | -146.6 | -86 | 0 | 0 | 0 | 112 | S290 G294 | S290-F292 VanDerWaalsContact C-N 3.34Å; S290-F292 PolarHBondContact O-N 3.21Å; F292-G294 PolarHBondContact O-N 3.31Å | ||
| 293 | L | 29 | Very low | 24.4 | Very low | 75 Ų | 75 | 118.1 Ų | 118.1 | 39% | 0.393 | 72% | 0.717 | S | S | . | * | trans | -74.5 | 38.2 | 176.9 | -110.7 | 166.2 | 0 | 0 | 0 | 113.9 | E291 M482 | E291-L293 PolarHBondContact O-N 3.2Å; L293-M482 HydrophobicContact CD1-CB 4.14Å; L293-M482 HydrophobicContact CD2-CG 4.47Å | ||
| 294 | G | 25.3 | Very low | 24.5 | Very low | 41 Ų | 41 | 115.6 Ų | 115.6 | 42% | 0.423 | 72% | 0.716 | S | S | . | * | trans | -100.7 | 66.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | F292 S296 | F292-G294 PolarHBondContact O-N 3.31Å; G294-S296 PolarHBondContact O-N 2.59Å; G294-S296 VanDerWaalsContact O-N 3.11Å | ||
| 295 | C | 25.2 | Very low | 24.5 | Very low | 97 Ų | 97 | 117.6 Ų | 117.6 | 66% | 0.655 | 72% | 0.72 | S | S | * | * | trans | -84.4 | 79 | -178.4 | -156.9 | 0 | 0 | 0 | 0 | 111.2 | D297 | C295-D297 PolarHBondContact O-N 2.82Š| ||
| 296 | S | 27.1 | Very low | 24.5 | Very low | 112 Ų | 112 | 121.4 Ų | 121.4 | 78% | 0.783 | 73% | 0.726 | S | S | * | * | trans | -75.5 | 101 | 167.3 | -51.9 | 0 | 0 | 0 | 0 | 109.8 | G294 | G294-S296 PolarHBondContact O-N 2.59Å; G294-S296 VanDerWaalsContact O-N 3.11Å | ||
| 297 | D | 26.8 | Very low | 24.6 | Very low | 142 Ų | 142 | 119.7 Ų | 119.7 | 76% | 0.759 | 72% | 0.718 | S | S | * | * | trans | -129.6 | 145.5 | 170.2 | -150.4 | -12 | 0 | 0 | 0 | 110.8 | C295 | C295-D297 PolarHBondContact O-N 2.82Š| ||
| 298 | N | 26.1 | Very low | 24.8 | Very low | 99 Ų | 99 | 121.7 Ų | 121.7 | 53% | 0.529 | 72% | 0.724 | S | S | . | * | trans | -90.3 | 118.8 | -170.8 | -64.3 | -89.1 | 0 | 0 | 0 | 110.6 | Q300 | N298-Q300 PolarHBondContact O-N 3.1Å; N298-Q300 VanDerWaalsContact O-N 3.14Å | ||
| 299 | G | 22.9 | Very low | 24.8 | Very low | 83 Ų | 83 | 123.2 Ų | 123.2 | 86% | 0.856 | 72% | 0.719 | S | S | * | * | trans | -60.6 | 114.6 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 300 | Q | 23.6 | Very low | 24.8 | Very low | 193 Ų | 193 | 121.5 Ų | 121.5 | 90% | 0.902 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -81 | 119.6 | 160.7 | -71.7 | -176.8 | -14 | 0 | 0 | 108.1 | N298 | N298-Q300 PolarHBondContact O-N 3.1Å; N298-Q300 VanDerWaalsContact O-N 3.14Å |
| 301 | A | 23 | Very low | 24.6 | Very low | 106 Ų | 106 | 124 Ų | 124 | 88% | 0.876 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 126.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||
| 302 | A | 21.9 | Very low | 24.2 | Very low | 104 Ų | 104 | 124.9 Ų | 124.9 | 86% | 0.86 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -86.7 | 132.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||
| 303 | S | 22.3 | Very low | 23.8 | Very low | 111 Ų | 111 | 122.1 Ų | 122.1 | 78% | 0.776 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -93.2 | 159.1 | 170 | 47 | 0 | 0 | 0 | 0 | 110.9 | ||
| 304 | P | 24.7 | Very low | 23.5 | Very low | 129 Ų | 129 | 125.4 Ų | 125.4 | 84% | 0.838 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 166.6 | -152.5 | 31.7 | -37.1 | 0 | 0 | 0 | 116.6 | ||
| 305 | L | 22 | Very low | 23.4 | Very low | 162 Ų | 162 | 128.2 Ų | 128.2 | 85% | 0.848 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 150.6 | -178.1 | -65.4 | 130.3 | 0 | 0 | 0 | 115.5 | ||
| 306 | K | 23.6 | Very low | 23.2 | Very low | 205 Ų | 205 | 132.3 Ų | 132.3 | 89% | 0.891 | 78% | 0.779 | S | S | * | * | trans | -133 | 147.3 | 142.5 | -76.8 | -167.1 | 174 | -175.2 | 0 | 109.6 | ||||
| 307 | N | 21.9 | Very low | 22.9 | Very low | 137 Ų | 137 | 132.7 Ų | 132.7 | 73% | 0.733 | 78% | 0.777 | S | S | * | * | trans | -76.1 | 159.6 | -174.5 | -55.3 | -3 | 0 | 0 | 0 | 112.2 | ||||
| 308 | N | 24.2 | Very low | 22.7 | Very low | 157 Ų | 157 | 131.2 Ų | 131.2 | 84% | 0.84 | 78% | 0.778 | S | S | * | * | -165.8 | 155.7 | 114.1 | -100.9 | 9.9 | 0 | 0 | 0 | 111.3 | |||||
| 309 | D | 21.9 | Very low | 22.5 | Very low | 128 Ų | 128 | 132.2 Ų | 132.2 | 68% | 0.684 | 79% | 0.787 | S | S | * | * | trans | -88.1 | 155.7 | -171.6 | -46.2 | -89.4 | 0 | 0 | 0 | 113.5 | ||||
| 310 | N | 23.9 | Very low | 22.4 | Very low | 143 Ų | 143 | 136 Ų | 136 | 77% | 0.765 | 78% | 0.781 | S | S | * | * | 171.2 | 119.7 | 109.1 | -90.9 | -43.7 | 0 | 0 | 0 | 115.9 | |||||
| 311 | T | 22.4 | Very low | 22.3 | Very low | 110 Ų | 110 | 135 Ų | 135 | 68% | 0.675 | 78% | 0.775 | S | S | * | * | trans | 40 | 132.4 | 132.5 | 62.4 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 312 | C | 21.1 | Very low | 22.2 | Very low | 113 Ų | 113 | 135.2 Ų | 135.2 | 76% | 0.764 | 76% | 0.758 | S | S | * | * | trans | 72.3 | 151 | 138.4 | -65.4 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 313 | T | 21.9 | Very low | 22.3 | Very low | 118 Ų | 118 | 136.3 Ų | 136.3 | 72% | 0.724 | 76% | 0.757 | S | S | * | * | cis | -160 | 171.4 | -8.1 | 11.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 314 | N | 21.7 | Very low | 22.3 | Very low | 144 Ų | 144 | 140.7 Ų | 140.7 | 77% | 0.77 | 76% | 0.756 | S | S | * | * | trans | -16.3 | 159.2 | 157.7 | -48.2 | -18.3 | 0 | 0 | 0 | 118.2 | ||||
| 315 | S | 22.6 | Very low | 22.1 | Very low | 99 Ų | 99 | 139.6 Ų | 139.6 | 69% | 0.692 | 75% | 0.752 | S | S | * | * | cis | -172.4 | 151 | 44.8 | -42.8 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 316 | F | 21 | Very low | 22 | Very low | 183 Ų | 183 | 136.6 Ų | 136.6 | 80% | 0.803 | 74% | 0.744 | S | S | * | * | trans | 61.4 | 118.7 | 137.7 | -81.8 | -119 | 0 | 0 | 0 | 122.1 | ||||
| 317 | T | 22 | Very low | 22 | Very low | 120 Ų | 120 | 132.1 Ų | 132.1 | 74% | 0.736 | 74% | 0.739 | S | S | * | * | 60 | 145.1 | 102.2 | 73.5 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 318 | S | 21.8 | Very low | 21.9 | Very low | 111 Ų | 111 | 132.7 Ų | 132.7 | 78% | 0.776 | 74% | 0.741 | S | S | * | * | cis | -160.8 | -168.3 | 14.8 | -147 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 319 | V | 22.3 | Very low | 21.7 | Very low | 120 Ų | 120 | 131.6 Ų | 131.6 | 73% | 0.727 | 73% | 0.734 | S | S | * | * | cis | -155.2 | -168.5 | 11 | 79.2 | 0 | 0 | 0 | 0 | 113 | ||||
| 320 | K | 21.7 | Very low | 21.7 | Very low | 164 Ų | 164 | 134.5 Ų | 134.5 | 71% | 0.713 | 74% | 0.741 | S | S | * | * | trans | -63.1 | 175.8 | 178.6 | -52.1 | 165.1 | -171.5 | 176.7 | 0 | 115.3 | ||||
| 321 | H | 21 | Very low | 22.1 | Very low | 170 Ų | 170 | 132.7 Ų | 132.7 | 79% | 0.787 | 74% | 0.737 | S | S | * | * | cis | -159.2 | 159 | 37.3 | -125.2 | -75.1 | 0 | 0 | 0 | 116.3 | ||||
| 322 | E | 19.6 | Very low | 22.1 | Very low | 112 Ų | 112 | 137.6 Ų | 137.6 | 52% | 0.523 | 75% | 0.749 | S | S | . | * | trans | -76 | 168.1 | 166.8 | -134.7 | -160.3 | -134.8 | 0 | 0 | 111.6 | R324 | E322-R324 IonicContact OE1-CZ 3.2Å; E322-R324 VanDerWaalsContact OE1-CZ 3.28Å; E322-R324 IonicContact OE1-NE 3.56Å; E322-R324 PolarHBondContact OE1-NE 3.49Å; E322-R324 IonicContact OE1-NH2 3.22Å; E322-R324 PolarHBondContact OE1-NH2 3.44Å; E322-R324 WeakPolarHBondContact OE2-CG 3.47Å; E322-R324 IonicContact OE2-CZ 2.8Å; E322-R324 IonicContact OE2-NE 2.75Å; E322-R324 PolarHBondContact OE2-NE 2.99Å; E322-R324 IonicContact OE2-NH2 2.87Å | ||
| 323 | P | 25.5 | Very low | 22.1 | Very low | 127 Ų | 127 | 143.3 Ų | 143.3 | 83% | 0.825 | 76% | 0.755 | S | S | * | * | -149.6 | -164.3 | 68.8 | 41.4 | -19.9 | 0 | 0 | 0 | 116.7 | |||||
| 324 | R | 20.7 | Very low | 22.1 | Very low | 203 Ų | 203 | 145.2 Ų | 145.2 | 77% | 0.766 | 76% | 0.76 | S | S | * | * | trans | -123 | 154.7 | -162 | -47.4 | 159.6 | -170.9 | -170.9 | -4.6 | 114.8 | E322 | E322-R324 IonicContact OE1-CZ 3.2Å; E322-R324 VanDerWaalsContact OE1-CZ 3.28Å; E322-R324 IonicContact OE1-NE 3.56Å; E322-R324 PolarHBondContact OE1-NE 3.49Å; E322-R324 IonicContact OE1-NH2 3.22Å; E322-R324 PolarHBondContact OE1-NH2 3.44Å; E322-R324 WeakPolarHBondContact OE2-CG 3.47Å; E322-R324 IonicContact OE2-CZ 2.8Å; E322-R324 IonicContact OE2-NE 2.75Å; E322-R324 PolarHBondContact OE2-NE 2.99Å; E322-R324 IonicContact OE2-NH2 2.87Å | ||
| 325 | S | 21.3 | Very low | 22.1 | Very low | 106 Ų | 106 | 143.4 Ų | 143.4 | 74% | 0.741 | 76% | 0.757 | S | S | * | * | trans | -177.1 | 138.4 | 144.8 | -173 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 326 | S | 20.7 | Very low | 22 | Very low | 99 Ų | 99 | 147.9 Ų | 147.9 | 69% | 0.692 | 76% | 0.764 | S | S | * | * | cis | 117.4 | 150.1 | 9.6 | 87.7 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 327 | S | 21.9 | Very low | 22.1 | Very low | 111 Ų | 111 | 145.6 Ų | 145.6 | 78% | 0.776 | 76% | 0.759 | S | S | * | * | trans | 77.3 | 150.8 | -176.4 | 80.1 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 328 | L | 20.4 | Very low | 22.2 | Very low | 148 Ų | 148 | 148.3 Ų | 148.3 | 78% | 0.775 | 76% | 0.763 | S | S | * | * | cis | -167 | 145.8 | -46.6 | -107.6 | 162.2 | 0 | 0 | 0 | 110.6 | ||||
| 329 | L | 21.3 | Very low | 22.3 | Very low | 134 Ų | 134 | 147.4 Ų | 147.4 | 70% | 0.702 | 76% | 0.762 | S | S | * | * | trans | 62.4 | 115 | 154.6 | -56.9 | 166.9 | 0 | 0 | 0 | 123.3 | ||||
| 330 | F | 20.1 | Very low | 22.2 | Very low | 189 Ų | 189 | 145 Ų | 145 | 83% | 0.829 | 76% | 0.761 | S | S | * | * | trans | 13.7 | 170.6 | 131.9 | -55.8 | -74.3 | 0 | 0 | 0 | 123.5 | ||||
| 331 | P | 33.9 | Very low | 22.3 | Very low | 105 Ų | 105 | 147.2 Ų | 147.2 | 68% | 0.682 | 77% | 0.774 | S | S | * | * | cis | -139.7 | -176.2 | -49.4 | 41.6 | -25.6 | 0 | 0 | 0 | 112.9 | ||||
| 332 | K | 21.2 | Very low | 22.2 | Very low | 213 Ų | 213 | 142.5 Ų | 142.5 | 93% | 0.926 | 77% | 0.772 | S | S | * | * | trans | -174.6 | 164.5 | 143.7 | -105 | 149.1 | -169.3 | 173 | 0 | 115.9 | ||||
| 333 | R | 21 | Very low | 23.3 | Very low | 233 Ų | 233 | 142.7 Ų | 142.7 | 88% | 0.879 | 78% | 0.782 | S | S | * | * | trans | -108.4 | 163.6 | 171 | -60.7 | 173.5 | 172.2 | 177 | -4.2 | 110.2 | ||||
| 334 | L | 22.4 | Very low | 23.2 | Very low | 159 Ų | 159 | 146.3 Ų | 146.3 | 83% | 0.832 | 78% | 0.781 | S | S | * | * | 160.1 | 175.5 | 107.2 | -150.7 | 58.9 | 0 | 0 | 0 | 113.6 | |||||
| 335 | C | 21.5 | Very low | 23.4 | Very low | 105 Ų | 105 | 142.2 Ų | 142.2 | 71% | 0.709 | 78% | 0.778 | S | S | * | * | trans | -108 | 174.1 | -157.5 | -41.9 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 336 | K | 21.4 | Very low | 23.5 | Very low | 194 Ų | 194 | 145.2 Ų | 145.2 | 84% | 0.843 | 78% | 0.78 | S | S | * | * | trans | -170.8 | 153.5 | 151.6 | -108.4 | 169.9 | -178.4 | -176.2 | 0 | 110.6 | ||||
| 337 | I | 22.2 | Very low | 24.2 | Very low | 134 Ų | 134 | 145.6 Ų | 145.6 | 69% | 0.687 | 78% | 0.781 | S | S | * | * | cis | 82.7 | 121.8 | 11.2 | -55.2 | 167.2 | 0 | 0 | 0 | 113.3 | ||||
| 338 | E | 23.8 | Very low | 24.3 | Very low | 178 Ų | 178 | 148.4 Ų | 148.4 | 83% | 0.832 | 79% | 0.786 | S | S | * | * | cis | -158.3 | -171.5 | 3.9 | -130.4 | 170.6 | -105.7 | 0 | 0 | 108.4 | ||||
| 339 | A | 23.6 | Very low | 24.4 | Very low | 91 Ų | 91 | 146.8 Ų | 146.8 | 75% | 0.752 | 79% | 0.785 | S | S | * | * | cis | -162.3 | -169.8 | -1.9 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 340 | G | 21.9 | Very low | 24.6 | Very low | 69 Ų | 69 | 149.7 Ų | 149.7 | 71% | 0.711 | 80% | 0.796 | S | S | * | * | cis | 161.8 | 153.5 | -8.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 341 | Q | 22.1 | Very low | 24.8 | Very low | 212 Ų | 212 | 150 Ų | 150 | 99% | 0.991 | 80% | 0.799 | S | S | * | * | trans | 77.5 | 158.9 | 163 | -55.8 | -174.4 | 0.5 | 0 | 0 | 122.3 | ||||
| 342 | G | 20.4 | Very low | 24.3 | Very low | 71 Ų | 71 | 150.8 Ų | 150.8 | 73% | 0.732 | 81% | 0.808 | S | S | * | * | trans | -125.3 | -141.4 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 343 | P | 42.9 | Very low | 24.5 | Very low | 115 Ų | 115 | 146.2 Ų | 146.2 | 75% | 0.747 | 80% | 0.803 | S | S | * | * | cis | -143.7 | -150.6 | 4.9 | 43.6 | -20.9 | 0 | 0 | 0 | 116.1 | ||||
| 344 | Y | 22.1 | Very low | 24.6 | Very low | 204 Ų | 204 | 139.9 Ų | 139.9 | 80% | 0.8 | 79% | 0.794 | S | S | * | * | trans | 86.1 | 110.9 | 179.5 | -66.2 | -86.4 | 0 | 0 | 0 | 116.9 | ||||
| 345 | V | 25 | Very low | 24.8 | Very low | 116 Ų | 116 | 139.2 Ų | 139.2 | 70% | 0.703 | 80% | 0.797 | S | S | * | * | 84.1 | 131.2 | 57.9 | 163.7 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 346 | H | 23.4 | Very low | 25 | Very low | 169 Ų | 169 | 141.7 Ų | 141.7 | 78% | 0.782 | 80% | 0.798 | S | S | * | * | cis | -174.9 | -176.2 | -11.1 | -108.7 | -42.4 | 0 | 0 | 0 | 108 | ||||
| 347 | P | 36.8 | Very low | 25.2 | Very low | 108 Ų | 108 | 138.6 Ų | 138.6 | 70% | 0.701 | 80% | 0.795 | S | S | * | * | cis | -130 | 173.7 | -29.7 | 40.3 | -25.4 | 0 | 0 | 0 | 113.9 | ||||
| 348 | L | 23 | Very low | 25.3 | Very low | 170 Ų | 170 | 137.9 Ų | 137.9 | 89% | 0.89 | 80% | 0.796 | S | S | * | * | trans | -167.8 | 162.9 | 146 | -112.1 | 167 | 0 | 0 | 0 | 111.8 | ||||
| 349 | C | 22.9 | Very low | 25.3 | Very low | 113 Ų | 113 | 134.9 Ų | 134.9 | 76% | 0.764 | 79% | 0.79 | S | S | * | * | trans | -78.7 | 147.4 | -157.9 | -49.8 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 350 | Q | 24.5 | Very low | 25.4 | Very low | 196 Ų | 196 | 135.1 Ų | 135.1 | 92% | 0.916 | 79% | 0.785 | S | S | * | * | trans | -146.1 | 125.1 | 148 | -103.9 | -178.4 | -5.9 | 0 | 0 | 109.1 | ||||
| 351 | E | 25.3 | Very low | 25.6 | Very low | 194 Ų | 194 | 137.5 Ų | 137.5 | 91% | 0.907 | 79% | 0.788 | S | S | * | * | trans | -104.7 | 155.5 | 171.6 | -73 | -172.1 | 138.3 | 0 | 0 | 111 | ||||
| 352 | S | 23.1 | Very low | 26.1 | Very low | 122 Ų | 122 | 132.8 Ų | 132.8 | 85% | 0.853 | 77% | 0.773 | S | S | * | * | trans | -78.3 | 143.9 | 178.2 | 53 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 353 | S | 24.9 | Very low | 26.7 | Very low | 118 Ų | 118 | 137.6 Ų | 137.6 | 83% | 0.825 | 78% | 0.777 | S | S | * | * | trans | -122 | 129.7 | 151.7 | 60.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 354 | S | 24 | Very low | 26.4 | Very low | 99 Ų | 99 | 141.7 Ų | 141.7 | 69% | 0.692 | 79% | 0.786 | S | S | * | * | trans | -80.7 | 130.9 | 173.9 | 43.6 | 0 | 0 | 0 | 0 | 110.2 | E356 | S354-E356 VanDerWaalsContact C-N 3.3Å; S354-E356 PolarHBondContact O-N 2.94Å | ||
| 355 | T | 26.1 | Very low | 27.3 | Very low | 146 Ų | 146 | 135.2 Ų | 135.2 | 90% | 0.896 | 78% | 0.782 | S | S | * | * | trans | -73.9 | 86.2 | 168.8 | -44.2 | 0 | 0 | 0 | 0 | 109.3 | V357 | T355-V357 PolarHBondContact O-N 3.21Š| ||
| 356 | E | 24.8 | Very low | 28.2 | Very low | 156 Ų | 156 | 138.1 Ų | 138.1 | 73% | 0.729 | 79% | 0.787 | S | S | * | * | trans | -61.3 | 131.2 | 173.6 | -66.3 | -168.5 | 138.6 | 0 | 0 | 110.3 | S354 V358 | S354-E356 VanDerWaalsContact C-N 3.3Å; S354-E356 PolarHBondContact O-N 2.94Å; E356-V358 PolarHBondContact O-N 3.5Å; E356-V358 VanDerWaalsContact O-N 3.13Å | ||
| 357 | V | 26 | Very low | 29.9 | Very low | 129 Ų | 129 | 138.6 Ų | 138.6 | 78% | 0.782 | 79% | 0.79 | S | S | * | * | trans | -74.7 | 102.9 | 167.3 | 178 | 0 | 0 | 0 | 0 | 106.7 | T355 V359 | T355-V357 PolarHBondContact O-N 3.21Å; V357-V359 VanDerWaalsContact C-N 3.29Å; V357-V359 HydrophobicContact CG1-CG2 4.21Å; V357-V359 PolarHBondContact O-N 2.85Å | ||
| 358 | V | 24.3 | Very low | 31.5 | Very low | 119 Ų | 119 | 135 Ų | 135 | 72% | 0.721 | 77% | 0.767 | S | S | * | * | trans | -65.9 | 91.3 | 174.8 | -178.3 | 0 | 0 | 0 | 0 | 108.9 | E356 C360 | E356-V358 PolarHBondContact O-N 3.5Å; E356-V358 VanDerWaalsContact O-N 3.13Å; V358-C360 PolarHBondContact O-N 3.49Å; V358-C360 VanDerWaalsContact O-N 3.09Å | ||
| 359 | V | 24.7 | Very low | 34.5 | Very low | 116 Ų | 116 | 130.6 Ų | 130.6 | 70% | 0.703 | 75% | 0.749 | S | S | * | * | trans | -75.9 | 91.9 | 168.6 | -179.2 | 0 | 0 | 0 | 0 | 107.1 | V357 P361 | V357-V359 VanDerWaalsContact C-N 3.29Å; V357-V359 HydrophobicContact CG1-CG2 4.21Å; V357-V359 PolarHBondContact O-N 2.85Å; V359-P361 WeakPolarHBondContact O-CD 3.38Å | ||
| 360 | C | 24.8 | Very low | 37.9 | Very low | 95 Ų | 95 | 128.6 Ų | 128.6 | 64% | 0.642 | 73% | 0.73 | S | S | * | * | trans | -54.7 | 125.3 | 165.9 | -61.4 | 0 | 0 | 0 | 0 | 108.6 | V358 V362 | V358-C360 PolarHBondContact O-N 3.49Å; V358-C360 VanDerWaalsContact O-N 3.09Å; C360-V362 PolarHBondContact O-N 3.49Å | ||
| 361 | P | 27.2 | Very low | 41.3 | Very low | 119 Ų | 119 | 119.5 Ų | 119.5 | 77% | 0.773 | 69% | 0.688 | S | S | * | * | trans | -58.3 | 125.2 | 169.6 | -22.1 | 33.7 | 0 | 0 | 0 | 108.9 | V359 E363 | V359-P361 WeakPolarHBondContact O-CD 3.38Å; P361-E363 PolarHBondContact O-N 3.03Å | ||
| 362 | V | 32.7 | Very low | 44.8 | Very low | 113 Ų | 113 | 110.2 Ų | 110.2 | 69% | 0.685 | 64% | 0.644 | S | S | * | * | trans | -76.5 | 114.3 | 165.6 | 179.7 | 0 | 0 | 0 | 0 | 105.7 | C360 E364 | C360-V362 PolarHBondContact O-N 3.49Å; V362-E364 PolarHBondContact O-N 3.35Å | ||
| 363 | E | 32.9 | Very low | 48.3 | Very low | 172 Ų | 172 | 104.4 Ų | 104.4 | 80% | 0.804 | 60% | 0.604 | S | S | * | * | trans | -59.5 | 133.1 | -178 | -63.9 | -172.2 | 152.1 | 0 | 0 | 111 | P361 G365 | P361-E363 PolarHBondContact O-N 3.03Å; E363-G365 PolarHBondContact O-N 3.24Å | ||
| 364 | E | 36.6 | Very low | 51.8 | Low | 202 Ų | 202 | 98.8 Ų | 98.8 | 94% | 0.944 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74 | 72.8 | 177.7 | -65.9 | -162.8 | 121 | 0 | 0 | 110.7 | V362 | V362-E364 PolarHBondContact O-N 3.35Š|
| 365 | G | 40.5 | Very low | 55.3 | Low | 68 Ų | 68 | 94.1 Ų | 94.1 | 70% | 0.701 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -171.3 | -12.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | E363 E367 | E363-G365 PolarHBondContact O-N 3.24Å; G365-E367 PolarHBondContact O-N 3.45Å |
| 366 | Q | 44.3 | Very low | 58.6 | Low | 177 Ų | 177 | 87.5 Ų | 87.5 | 83% | 0.827 | 49% | 0.491 | S | S | * | . | trans | -80.7 | 105.8 | 179.7 | -166.4 | 164.4 | 52.3 | 0 | 0 | 111.5 | C368 | Q366-C368 PolarHBondContact O-N 3.31Š| ||
| 367 | E | 59.5 | Low | 61.8 | Low | 179 Ų | 179 | 82.5 Ų | 82.5 | 84% | 0.836 | 47% | 0.467 | S | S | * | . | P | Polyproline II helix | trans | -55.3 | 130.7 | 174.9 | -64.6 | -172.9 | 141.2 | 0 | 0 | 111.4 | G365 P369 | G365-E367 PolarHBondContact O-N 3.45Å; E367-P369 WeakPolarHBondContact O-CD 3.08Å |
| 368 | C | 70.1 | Confident | 65 | Low | 32 Ų | 32 | 76.3 Ų | 76.3 | 22% | 0.216 | 43% | 0.43 | C | S | . | . | P | Polyproline II helix | trans | -74.6 | 124.2 | 171.2 | 179.7 | 0 | 0 | 0 | 0 | 108.9 | V243 Q366 D370 H395 | V243-C368 HydrophobicContact CG1-CB 3.94Å; V243-C368 WeakPolarHBondContact CG1-SG 3.33Å; Q366-C368 PolarHBondContact O-N 3.31Å; C368-D370 PolarHBondContact O-N 3.06Å; C368-H395 PolarHBondContact O-CE1 2.61Å; C368-H395 PolarHBondContact O-ND1 3.06Å; C368-H395 VanDerWaalsContact O-ND1 3.09Å |
| 369 | P | 85.8 | Confident | 68.2 | Low | 78 Ų | 78 | 73.3 Ų | 73.3 | 51% | 0.506 | 41% | 0.413 | S | S | . | . | P | Polyproline II helix | trans | -67.9 | 134.4 | 177.5 | 28.1 | -34.5 | 0 | 0 | 0 | 110.5 | E367 | E367-P369 WeakPolarHBondContact O-CD 3.08Š|
| 370 | D | 93.9 | Very high | 71.5 | Confident | 71 Ų | 71 | 67.9 Ų | 67.9 | 38% | 0.38 | 38% | 0.381 | S | S | . | . | P | Polyproline II helix | trans | -54.9 | 143.7 | 175.1 | -81.5 | -10 | 0 | 0 | 0 | 112.6 | C158 S160 C368 H395 R397 | C158-D370 PolarHBondContact SG-O 3.43Å; S160-D370 WeakPolarHBondContact CB-O 3.39Å; C368-D370 PolarHBondContact O-N 3.06Å; D370-H395 WeakPolarHBondContact CA-O 3.47Å; D370-H395 VanDerWaalsContact OD1-CA 3.25Å; D370-H395 WeakPolarHBondContact OD1-CA 3.46Å; D370-H395 IonicContact OD1-CG 3.59Å; D370-H395 IonicContact OD1-ND1 3.32Å; D370-H395 PolarHBondContact OD1-ND1 3.35Å; D370-R397 HydrophobicContact CB-CG 3.71Å; D370-R397 VanDerWaalsContact CG-CD 3.48Å; D370-R397 WeakPolarHBondContact OD2-CD 3.48Å; D370-R397 IonicContact OD2-NH1 3.88Å |
| 371 | F | 96.1 | Very high | 74.8 | Confident | 4 Ų | 4 | 64.7 Ų | 64.7 | 2% | 0.018 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 158.8 | -177.4 | 62.7 | -85.1 | 0 | 0 | 0 | 114.6 | C158 S160 V162 F242 V243 H395 V396 R397 | C158-F371 VanDerWaalsContact SG-C 3.55Å; C158-F371 WeakPolarHBondContact SG-CA 3.2Å; C158-F371 PolarHBondContact SG-N 3.15Å; C158-F371 VanDerWaalsContact SG-N 3.43Å; S160-F371 WeakPolarHBondContact O-CA 3.49Å; V162-F371 HydrophobicContact CB-CD2 3.85Å; V162-F371 HydrophobicContact CB-CE2 3.95Å; V162-F371 HydrophobicContact CG2-CB 4.5Å; V162-F371 HydrophobicContact CG2-CD2 3.37Å; V162-F371 HydrophobicContact CG2-CE2 3.56Å; V162-F371 HydrophobicContact CG2-CG 4.01Å; V162-F371 HydrophobicContact CG2-CZ 4.36Å; F242-F371 HydrophobicContact CD1-CZ 4.49Å; F242-F371 HydrophobicContact CE1-CE2 4.07Å; F242-F371 AromaticContact CE1-CZ 3.89Å; F242-F371 HydrophobicContact CE1-CZ 3.89Å; V243-F371 HydrophobicContact CG2-CE1 4.36Å; F371-H395 HydrophobicContact CD1-CB 4.18Å; F371-H395 HydrophobicContact CE1-CB 3.97Å; F371-H395 PolarHBondContact N-O 2.99Å; F371-V396 HydrophobicContact CD2-CG2 4.34Å; F371-V396 HydrophobicContact CE1-CG2 4.27Å; F371-V396 HydrophobicContact CE2-CG2 3.66Å; F371-V396 HydrophobicContact CZ-CG2 3.62Å; F371-V396 CarbonylContact O-C 3.58Å; F371-V396 WeakPolarHBondContact O-CA 3.48Å; F371-R397 PolarHBondContact O-N 3.39Å |
| 372 | I | 97.9 | Very high | 78 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 134.8 | 167.5 | -58.5 | -60.2 | 0 | 0 | 0 | 109.6 | V149 L152 T156 C158 S160 V161 V162 R397 | V149-I372 HydrophobicContact CG1-CG2 4.46Å; L152-I372 HydrophobicContact CB-CD1 4.27Å; L152-I372 HydrophobicContact CB-CG1 4.46Å; L152-I372 HydrophobicContact CB-CG2 4.35Å; L152-I372 HydrophobicContact CD2-CG2 4.14Å; T156-I372 HydrophobicContact CG2-CD1 4.43Å; C158-I372 HydrophobicContact CB-CD1 4.4Å; C158-I372 HydrophobicContact CB-CG1 4.32Å; S160-I372 PolarHBondContact O-N 3.11Å; V161-I372 CarbonylContact C-O 3.44Å; V161-I372 VanDerWaalsContact CA-O 3.29Å; V161-I372 WeakPolarHBondContact CA-O 2.87Å; V161-I372 HydrophobicContact CG2-CB 4.38Å; V162-I372 PolarHBondContact N-O 3.45Å; I372-R397 HydrophobicContact CD1-CB 3.99Å |
| 373 | L | 97.9 | Very high | 81 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 133.1 | 176.6 | -172.4 | 62 | 0 | 0 | 0 | 110.5 | V162 V164 F242 L386 F390 V396 G398 I399 T400 | V162-L373 HydrophobicContact CB-CD1 4.07Å; V162-L373 HydrophobicContact CG1-CD1 4.05Å; V164-L373 HydrophobicContact CG2-CD1 3.75Å; F242-L373 HydrophobicContact CZ-CD1 3.99Å; L373-L386 HydrophobicContact CD1-CD2 3.91Å; L373-L386 HydrophobicContact CD2-CB 4.13Å; L373-L386 HydrophobicContact CD2-CD2 3.87Å; L373-L386 WeakPolarHBondContact CD2-O 3.32Å; L373-L386 HydrophobicContact CG-CD2 3.99Å; L373-F390 HydrophobicContact CD2-CB 4.33Å; L373-V396 HydrophobicContact CB-CG1 3.58Å; L373-V396 HydrophobicContact CD2-CG1 4.42Å; L373-G398 PolarHBondContact N-O 2.78Å; L373-I399 HydrophobicContact CB-CB 4.5Å; L373-I399 HydrophobicContact CB-CG1 4.34Å; L373-I399 HydrophobicContact CD2-CD1 4.22Å; L373-I399 CarbonylContact O-C 3.57Å; L373-I399 VanDerWaalsContact O-CA 3.22Å; L373-I399 WeakPolarHBondContact O-CA 3.42Å; L373-T400 PolarHBondContact O-N 3.24Å |
| 374 | T | 98.4 | Very high | 84 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 153.3 | 175.6 | -173.9 | 0 | 0 | 0 | 0 | 112.2 | V149 V161 V162 D163 V164 L171 L175 T400 | V149-T374 HydrophobicContact CG2-CG2 4.48Å; V161-T374 HydrophobicContact CG1-CG2 3.7Å; V162-T374 PolarHBondContact O-N 3.02Å; D163-T374 HydrophobicContact CB-CG2 3.85Å; V164-T374 PolarHBondContact N-O 2.81Å; L171-T374 HydrophobicContact CD2-CG2 4.38Å; L175-T374 HydrophobicContact CD1-CG2 4.34Å; T374-T400 VanDerWaalsContact CA-O 3.32Å; T374-T400 WeakPolarHBondContact CA-O 3.31Å; T374-T400 WeakPolarHBondContact CB-OG1 3.3Å; T374-T400 PolarHBondContact OG1-O 3.19Å; T374-T400 PolarHBondContact OG1-OG1 2.89Å; T374-T400 VanDerWaalsContact OG1-OG1 3.12Å |
| 375 | G | 97.1 | Very high | 86.9 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 107.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | T400 V402 | G375-T400 PolarHBondContact N-O 3.25Å; G375-T400 VanDerWaalsContact N-O 3.15Å; G375-V402 PolarHBondContact O-N 2.92Å |
| 376 | L | 94.8 | Very high | 89.6 | Confident | 8 Ų | 8 | 34.9 Ų | 34.9 | 4% | 0.042 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 108.3 | 177.1 | 177.1 | 54.8 | 0 | 0 | 0 | 110.5 | E141 I142 L145 L171 V402 F589 | E141-L376 HydrophobicContact CB-CD1 4.1Å; E141-L376 HydrophobicContact CB-CD2 4.27Å; I142-L376 HydrophobicContact CG1-CD2 4Å; L145-L376 HydrophobicContact CD2-CB 3.76Å; L145-L376 HydrophobicContact CD2-CD1 3.89Å; L145-L376 HydrophobicContact CD2-CD2 4.45Å; L145-L376 HydrophobicContact CD2-CG 4.21Å; L171-L376 HydrophobicContact CB-CD2 4.27Å; L171-L376 HydrophobicContact CD2-CB 3.8Å; L171-L376 HydrophobicContact CD2-CD2 4.19Å; L376-V402 HydrophobicContact CD1-CB 4.35Å; L376-V402 HydrophobicContact CD1-CG1 4.38Å; L376-V402 HydrophobicContact CD1-CG2 4.11Å; L376-F589 HydrophobicContact CD1-CE2 4.45Å; L376-F589 HydrophobicContact CD1-CZ 4.13Å |
| 377 | H | 92.9 | Very high | 92.1 | Very high | 50 Ų | 50 | 26.5 Ų | 26.5 | 23% | 0.231 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 69.9 | 53 | -166.5 | -56.1 | -71.6 | 0 | 0 | 0 | 112.8 | E141 C379 V402 C404 | E141-H377 IonicContact OE1-CE1 3.79Å; E141-H377 PolarHBondContact OE1-CE1 2.79Å; E141-H377 IonicContact OE1-NE2 2.97Å; E141-H377 PolarHBondContact OE1-NE2 2.88Å; E141-H377 IonicContact OE2-CD2 3.94Å; E141-H377 IonicContact OE2-CE1 2.85Å; E141-H377 IonicContact OE2-NE2 3.89Å; E141-H377 PolarHBondContact OE2-NE2 2.92Å; H377-C379 VanDerWaalsContact C-N 3.28Å; H377-C379 PolarHBondContact O-N 2.93Å; H377-C379 PolarHBondContact O-SG 3.21Å; H377-V402 CarbonylContact C-O 3.58Å; H377-V402 WeakPolarHBondContact CA-O 3.23Å; H377-V402 PolarHBondContact N-O 3.21Å; H377-C404 VanDerWaalsContact CA-SG 3.54Å; H377-C404 HydrophobicContact CB-CB 4.45Å; H377-C404 VanDerWaalsContact CB-SG 3.59Å |
| 378 | A | 91.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 87.3 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | L382 L386 V402 | A378-L382 HydrophobicContact CB-CG 4.29Å; A378-L386 HydrophobicContact CB-CD1 4.12Å; A378-V402 PolarHBondContact N-O 2.61Å |
| 379 | C | 92.5 | Very high | 95.1 | Very high | 55 Ų | 55 | 17.2 Ų | 17.2 | 37% | 0.372 | 10% | 0.098 | S | C | . | . | trans | -71.9 | 132.3 | -172.7 | -69.4 | 0 | 0 | 0 | 0 | 112.1 | H377 D381 L382 C405 | H377-C379 VanDerWaalsContact C-N 3.28Å; H377-C379 PolarHBondContact O-N 2.93Å; H377-C379 PolarHBondContact O-SG 3.21Å; C379-D381 PolarHBondContact O-N 3.41Å; C379-L382 VanDerWaalsContact O-CB 3.32Å; C379-L382 WeakPolarHBondContact O-CB 3.35Å; C379-L382 PolarHBondContact O-N 3.43Å; C379-L382 VanDerWaalsContact O-N 3.15Å; C379-C405 HydrophobicContact CB-CB 4.15Å | ||
| 380 | G | 93.5 | Very high | 95.7 | Very high | 3 Ų | 3 | 13.5 Ų | 13.5 | 3% | 0.031 | 7% | 0.073 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55 | -133.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L382 S383 C405 | G380-L382 PolarHBondContact O-N 3.14Å; G380-L382 VanDerWaalsContact O-N 3.14Å; G380-S383 PolarHBondContact O-N 3.3Å; G380-S383 PolarHBondContact O-OG 3.44Å; G380-C405 PolarHBondContact N-O 3.42Å |
| 381 | D | 94.8 | Very high | 95.8 | Very high | 28 Ų | 28 | 11.8 Ų | 11.8 | 15% | 0.15 | 7% | 0.066 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | -17.9 | -179.9 | -74.4 | 15.7 | 0 | 0 | 0 | 114.2 | C379 S383 A384 T385 I409 T410 G439 | C379-D381 PolarHBondContact O-N 3.41Å; D381-S383 PolarHBondContact O-N 2.89Å; D381-S383 VanDerWaalsContact O-N 3.15Å; D381-A384 CarbonylContact O-C 3.58Å; D381-A384 WeakPolarHBondContact O-CA 3.33Å; D381-A384 WeakPolarHBondContact O-CB 3.48Å; D381-A384 PolarHBondContact O-N 2.88Å; D381-T385 PolarHBondContact O-N 3.27Å; D381-T385 PolarHBondContact O-OG1 2.85Å; D381-I409 VanDerWaalsContact OD1-CA 3.27Å; D381-I409 WeakPolarHBondContact OD1-CA 3.4Å; D381-T410 PolarHBondContact OD1-N 3.36Å; D381-T410 PolarHBondContact OD1-OG1 3.21Å; D381-T410 WeakPolarHBondContact OD2-CB 3.14Å; D381-T410 WeakPolarHBondContact OD2-CG2 3.4Å; D381-T410 PolarHBondContact OD2-OG1 3.17Å; D381-G439 WeakPolarHBondContact OD1-CA 3.27Å |
| 382 | L | 94.7 | Very high | 95.7 | Very high | 40 Ų | 40 | 14.4 Ų | 14.4 | 21% | 0.209 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -57 | -33.7 | 175.3 | -176.8 | 56.3 | 0 | 0 | 0 | 111.4 | V164 A378 C379 G380 A384 T385 L386 | V164-L382 HydrophobicContact CG1-CD1 3.88Å; A378-L382 HydrophobicContact CB-CG 4.29Å; C379-L382 VanDerWaalsContact O-CB 3.32Å; C379-L382 WeakPolarHBondContact O-CB 3.35Å; C379-L382 PolarHBondContact O-N 3.43Å; C379-L382 VanDerWaalsContact O-N 3.15Å; G380-L382 PolarHBondContact O-N 3.14Å; G380-L382 VanDerWaalsContact O-N 3.14Å; L382-A384 VanDerWaalsContact C-N 3.29Å; L382-A384 PolarHBondContact O-N 2.94Å; L382-T385 HydrophobicContact CD1-CG2 4.45Å; L382-T385 PolarHBondContact O-N 3.47Å; L382-L386 HydrophobicContact CD1-CD1 4.4Å; L382-L386 HydrophobicContact CD1-CD2 4.4Å; L382-L386 HydrophobicContact CD1-CG 4.1Å; L382-L386 HydrophobicContact CG-CD1 4.24Å; L382-L386 HydrophobicContact CG-CG 4.41Å; L382-L386 VanDerWaalsContact O-CG 3.28Å; L382-L386 WeakPolarHBondContact O-CG 3.17Å; L382-L386 PolarHBondContact O-N 3.16Å |
| 383 | S | 95 | Very high | 95.6 | Very high | 1 Ų | 1 | 14.4 Ų | 14.4 | 1% | 0.007 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -63 | -32.2 | 173.7 | 64.2 | 0 | 0 | 0 | 0 | 113.5 | G380 D381 L387 R572 | G380-S383 PolarHBondContact O-N 3.3Å; G380-S383 PolarHBondContact O-OG 3.44Å; D381-S383 PolarHBondContact O-N 2.89Å; D381-S383 VanDerWaalsContact O-N 3.15Å; S383-L387 WeakPolarHBondContact O-CD1 3.09Å; S383-L387 WeakPolarHBondContact O-CG 3.41Å; S383-R572 PolarHBondContact OG-NH2 3.47Å |
| 384 | A | 96.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -81.7 | -41 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | D381 L382 L386 L387 R388 M442 | D381-A384 CarbonylContact O-C 3.58Å; D381-A384 WeakPolarHBondContact O-CA 3.33Å; D381-A384 WeakPolarHBondContact O-CB 3.48Å; D381-A384 PolarHBondContact O-N 2.88Å; L382-A384 VanDerWaalsContact C-N 3.29Å; L382-A384 PolarHBondContact O-N 2.94Å; A384-L386 VanDerWaalsContact C-N 3.31Å; A384-L386 PolarHBondContact O-N 3.41Å; A384-L387 PolarHBondContact O-N 3.35Å; A384-L387 VanDerWaalsContact O-N 3.13Å; A384-R388 WeakPolarHBondContact O-CG 3.45Å; A384-R388 PolarHBondContact O-N 2.96Å; A384-M442 HydrophobicContact CB-CE 3.84Å; A384-M442 HydrophobicContact CB-CG 4.25Å; A384-M442 HydrophobicContact CB-SD 3.53Å; A384-M442 VanDerWaalsContact CB-SD 3.53Å |
| 385 | T | 95.9 | Very high | 95.2 | Very high | 6 Ų | 6 | 19 Ų | 19 | 4% | 0.037 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -54.2 | -44.4 | 173.8 | -61.8 | 0 | 0 | 0 | 0 | 112.1 | V233 P235 D381 L382 R388 H389 | V233-T385 HydrophobicContact CB-CG2 4.25Å; V233-T385 HydrophobicContact CG1-CG2 3.69Å; P235-T385 HydrophobicContact CB-CG2 4.28Å; D381-T385 PolarHBondContact O-N 3.27Å; D381-T385 PolarHBondContact O-OG1 2.85Å; L382-T385 HydrophobicContact CD1-CG2 4.45Å; L382-T385 PolarHBondContact O-N 3.47Å; T385-R388 PolarHBondContact O-N 3.29Å; T385-H389 PolarHBondContact O-CD2 2.81Å; T385-H389 PolarHBondContact O-N 3.29Å |
| 386 | L | 97.4 | Very high | 95.2 | Very high | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.005 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -68.3 | -34.9 | 178.2 | -65 | 172.8 | 0 | 0 | 0 | 112.5 | V164 L373 A378 L382 A384 F390 I399 | V164-L386 HydrophobicContact CB-CD2 3.62Å; V164-L386 HydrophobicContact CG1-CD2 3.99Å; V164-L386 HydrophobicContact CG2-CD2 3.65Å; L373-L386 HydrophobicContact CD1-CD2 3.91Å; L373-L386 HydrophobicContact CD2-CB 4.13Å; L373-L386 HydrophobicContact CD2-CD2 3.87Å; L373-L386 WeakPolarHBondContact CD2-O 3.32Å; L373-L386 HydrophobicContact CG-CD2 3.99Å; A378-L386 HydrophobicContact CB-CD1 4.12Å; L382-L386 HydrophobicContact CD1-CD1 4.4Å; L382-L386 HydrophobicContact CD1-CD2 4.4Å; L382-L386 HydrophobicContact CD1-CG 4.1Å; L382-L386 HydrophobicContact CG-CD1 4.24Å; L382-L386 HydrophobicContact CG-CG 4.41Å; L382-L386 VanDerWaalsContact O-CG 3.28Å; L382-L386 WeakPolarHBondContact O-CG 3.17Å; L382-L386 PolarHBondContact O-N 3.16Å; A384-L386 VanDerWaalsContact C-N 3.31Å; A384-L386 PolarHBondContact O-N 3.41Å; L386-F390 WeakPolarHBondContact O-CB 3.3Å; L386-F390 PolarHBondContact O-N 2.85Å; L386-I399 HydrophobicContact CB-CD1 4.01Å |
| 387 | L | 97.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -69.8 | -37.8 | 174.7 | -71.1 | 167.5 | 0 | 0 | 0 | 112 | S383 A384 V391 I399 M442 R572 Y575 L576 L600 | S383-L387 WeakPolarHBondContact O-CD1 3.09Å; S383-L387 WeakPolarHBondContact O-CG 3.41Å; A384-L387 PolarHBondContact O-N 3.35Å; A384-L387 VanDerWaalsContact O-N 3.13Å; L387-V391 WeakPolarHBondContact O-CG2 3.35Å; L387-V391 PolarHBondContact O-N 2.98Å; L387-I399 HydrophobicContact CD2-CD1 4.21Å; L387-M442 HydrophobicContact CB-CE 3.95Å; L387-M442 HydrophobicContact CB-SD 4.33Å; L387-M442 HydrophobicContact CD1-SD 3.8Å; L387-R572 HydrophobicContact CD1-CB 3.66Å; L387-R572 HydrophobicContact CD1-CG 3.57Å; L387-Y575 HydrophobicContact CB-CD1 4.37Å; L387-Y575 HydrophobicContact CB-CE1 4.09Å; L387-L576 HydrophobicContact CD2-CD1 3.75Å; L387-L576 HydrophobicContact CD2-CD2 3.99Å; L387-L576 HydrophobicContact CD2-CG 4.03Å; L387-L600 HydrophobicContact CD2-CD1 4.47Å; L387-L600 HydrophobicContact CD2-CD2 3.96Å |
| 388 | R | 96.8 | Very high | 95.4 | Very high | 14 Ų | 14 | 17.4 Ų | 17.4 | 5% | 0.053 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -60.5 | -52.2 | 173 | -73.6 | 167.5 | 172.6 | 135.2 | 10.8 | 111.6 | A384 T385 V391 S392 E437 F438 M442 | A384-R388 WeakPolarHBondContact O-CG 3.45Å; A384-R388 PolarHBondContact O-N 2.96Å; T385-R388 PolarHBondContact O-N 3.29Å; R388-V391 PolarHBondContact O-N 3.14Å; R388-S392 WeakPolarHBondContact O-CB 3.47Å; R388-S392 PolarHBondContact O-N 3.18Å; R388-S392 PolarHBondContact O-OG 3.43Å; R388-S392 VanDerWaalsContact O-OG 3.13Å; R388-E437 VanDerWaalsContact CZ-CD 3.43Å; R388-E437 IonicContact CZ-OE1 2.74Å; R388-E437 IonicContact CZ-OE2 3.76Å; R388-E437 IonicContact NE-OE1 3.69Å; R388-E437 PolarHBondContact NE-OE1 3.44Å; R388-E437 IonicContact NE-OE2 2.67Å; R388-E437 PolarHBondContact NE-OE2 3.49Å; R388-E437 PolarHBondContact NH1-O 3.29Å; R388-E437 VanDerWaalsContact NH2-CG 3.33Å; R388-E437 PolarHBondContact NH2-O 3.42Å; R388-E437 VanDerWaalsContact NH2-O 3.07Å; R388-E437 IonicContact NH2-OE1 3.49Å; R388-E437 PolarHBondContact NH2-OE1 3.31Å; R388-E437 IonicContact NH2-OE2 2.68Å; R388-F438 PolarHBondContact NH2-O 3.07Å; R388-M442 HydrophobicContact CG-CE 4.15Å |
| 389 | H | 96.5 | Very high | 95.7 | Very high | 2 Ų | 2 | 17.4 Ų | 17.4 | 1% | 0.009 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -67.1 | -35.8 | 178 | -79 | -59.2 | 0 | 0 | 0 | 113.1 | N234 F242 T385 C393 | N234-H389 PolarHBondContact O-NE2 2.79Å; F242-H389 HydrophobicContact CD1-CB 4.05Å; F242-H389 AromaticContact CD1-CG 3.95Å; F242-H389 AromaticContact CD1-ND1 3.87Å; F242-H389 HydrophobicContact CE1-CB 4.04Å; F242-H389 AromaticContact CG-CG 3.99Å; F242-H389 AromaticContact CG-ND1 3.75Å; T385-H389 PolarHBondContact O-CD2 2.81Å; T385-H389 PolarHBondContact O-N 3.29Å; H389-C393 WeakPolarHBondContact O-CB 3.46Å; H389-C393 PolarHBondContact O-N 2.88Å |
| 390 | F | 97.4 | Very high | 96 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -61.1 | -43.7 | 170.6 | 169.3 | -120.3 | 0 | 0 | 0 | 111.8 | L373 L386 V396 I399 L576 I581 A602 K604 | L373-F390 HydrophobicContact CD2-CB 4.33Å; L386-F390 WeakPolarHBondContact O-CB 3.3Å; L386-F390 PolarHBondContact O-N 2.85Å; F390-V396 HydrophobicContact CB-CG1 4.48Å; F390-V396 HydrophobicContact CD2-CB 4.08Å; F390-V396 HydrophobicContact CD2-CG1 3.62Å; F390-V396 HydrophobicContact CE2-CG1 4.41Å; F390-I399 HydrophobicContact CB-CB 4.37Å; F390-I399 HydrophobicContact CB-CD1 4.02Å; F390-I399 HydrophobicContact CB-CG2 4.49Å; F390-I399 HydrophobicContact CD1-CB 4.29Å; F390-I399 HydrophobicContact CD1-CG2 3.55Å; F390-I399 HydrophobicContact CD2-CB 4.03Å; F390-I399 HydrophobicContact CD2-CG2 4.01Å; F390-I399 HydrophobicContact CE1-CG2 3.6Å; F390-I399 HydrophobicContact CE2-CB 4.37Å; F390-I399 HydrophobicContact CE2-CG2 4.06Å; F390-I399 HydrophobicContact CG-CB 3.97Å; F390-I399 HydrophobicContact CG-CD1 4.4Å; F390-I399 HydrophobicContact CG-CG2 3.75Å; F390-I399 HydrophobicContact CZ-CG2 3.85Å; F390-L576 HydrophobicContact CD1-CD1 4.49Å; F390-L576 HydrophobicContact CD1-CD2 3.76Å; F390-L576 HydrophobicContact CE1-CD1 4.15Å; F390-L576 HydrophobicContact CE1-CD2 3.84Å; F390-I581 HydrophobicContact CE1-CD1 4Å; F390-I581 HydrophobicContact CE1-CG2 3.84Å; F390-I581 HydrophobicContact CZ-CD1 4.3Å; F390-I581 HydrophobicContact CZ-CG2 3.91Å; F390-A602 HydrophobicContact CE1-CB 3.59Å; F390-A602 HydrophobicContact CZ-CB 3.74Å; F390-K604 HydrophobicContact CE2-CG 3.86Å; F390-K604 HydrophobicContact CZ-CG 4.11Å; F390-K604 WeakPolarHBondContact O-CE 3.47Å; F390-K604 PolarHBondContact O-NZ 3.04Å |
| 391 | V | 96.2 | Very high | 96.2 | Very high | 36 Ų | 36 | 14.8 Ų | 14.8 | 22% | 0.218 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -64.2 | -54.1 | 175 | 167.2 | 0 | 0 | 0 | 0 | 110.9 | L387 R388 Y575 L576 K579 I581 K604 | L387-V391 WeakPolarHBondContact O-CG2 3.35Å; L387-V391 PolarHBondContact O-N 2.98Å; R388-V391 PolarHBondContact O-N 3.14Å; V391-Y575 HydrophobicContact CG2-CE1 3.71Å; V391-L576 HydrophobicContact CG2-CD2 3.71Å; V391-K579 HydrophobicContact CG1-CB 4.34Å; V391-K579 HydrophobicContact CG1-CD 4.44Å; V391-K579 HydrophobicContact CG1-CG 3.9Å; V391-K579 HydrophobicContact CG2-CB 4.4Å; V391-K579 HydrophobicContact CG2-CG 4.04Å; V391-I581 HydrophobicContact CG2-CD1 4.18Å; V391-K604 PolarHBondContact O-NZ 2.97Å |
| 392 | S | 94.9 | Very high | 96.3 | Very high | 59 Ų | 59 | 13.5 Ų | 13.5 | 41% | 0.413 | 8% | 0.078 | S | C | . | . | H | α-helix | trans | -76 | -30.5 | -167.2 | 68.5 | 0 | 0 | 0 | 0 | 115.2 | R388 | R388-S392 WeakPolarHBondContact O-CB 3.47Å; R388-S392 PolarHBondContact O-N 3.18Å; R388-S392 PolarHBondContact O-OG 3.43Å; R388-S392 VanDerWaalsContact O-OG 3.13Å |
| 393 | C | 95 | Very high | 96.3 | Very high | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 7% | 0.069 | C | C | . | . | trans | -86.9 | 123.2 | -176.9 | -174.9 | 0 | 0 | 0 | 0 | 111.5 | W239 H389 H395 V396 K604 | W239-C393 HydrophobicContact CB-CB 3.65Å; H389-C393 WeakPolarHBondContact O-CB 3.46Å; H389-C393 PolarHBondContact O-N 2.88Å; C393-H395 VanDerWaalsContact C-N 3.28Å; C393-H395 PolarHBondContact O-N 3.07Å; C393-V396 HydrophobicContact CB-CG2 3.74Å; C393-K604 PolarHBondContact O-NZ 3.27Å | ||
| 394 | P | 93.8 | Very high | 96.1 | Very high | 62 Ų | 62 | 12.2 Ų | 12.2 | 40% | 0.403 | 7% | 0.072 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -36.4 | 179.3 | 24.5 | -31.8 | 0 | 0 | 0 | 112.1 | W239 V396 | W239-P394 HydrophobicContact CD2-CG 4.38Å; W239-P394 HydrophobicContact CE3-CG 4.35Å; W239-P394 HydrophobicContact CH2-CG 4.24Å; W239-P394 HydrophobicContact CZ2-CG 4.26Å; W239-P394 HydrophobicContact CZ3-CG 4.29Å; P394-V396 VanDerWaalsContact C-N 3.28Å; P394-V396 PolarHBondContact O-N 2.64Å |
| 395 | H | 94.6 | Very high | 96.1 | Very high | 35 Ų | 35 | 13.6 Ų | 13.6 | 16% | 0.162 | 8% | 0.081 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73 | -10.2 | -173.5 | -56.7 | -66.5 | 0 | 0 | 0 | 115.5 | W239 C368 D370 F371 C393 R397 | W239-H395 AromaticContact CZ3-CD2 3.77Å; W239-H395 AromaticContact CZ3-NE2 3.71Å; C368-H395 PolarHBondContact O-CE1 2.61Å; C368-H395 PolarHBondContact O-ND1 3.06Å; C368-H395 VanDerWaalsContact O-ND1 3.09Å; D370-H395 WeakPolarHBondContact CA-O 3.47Å; D370-H395 VanDerWaalsContact OD1-CA 3.25Å; D370-H395 WeakPolarHBondContact OD1-CA 3.46Å; D370-H395 IonicContact OD1-CG 3.59Å; D370-H395 IonicContact OD1-ND1 3.32Å; D370-H395 PolarHBondContact OD1-ND1 3.35Å; F371-H395 HydrophobicContact CD1-CB 4.18Å; F371-H395 HydrophobicContact CE1-CB 3.97Å; F371-H395 PolarHBondContact N-O 2.99Å; C393-H395 VanDerWaalsContact C-N 3.28Å; C393-H395 PolarHBondContact O-N 3.07Å; H395-R397 PolarHBondContact O-N 3.05Å |
| 396 | V | 95.9 | Very high | 96 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 98.7 | 178.4 | -168.2 | 0 | 0 | 0 | 0 | 109.8 | F371 L373 F390 C393 P394 G398 K604 | F371-V396 HydrophobicContact CD2-CG2 4.34Å; F371-V396 HydrophobicContact CE1-CG2 4.27Å; F371-V396 HydrophobicContact CE2-CG2 3.66Å; F371-V396 HydrophobicContact CZ-CG2 3.62Å; F371-V396 CarbonylContact O-C 3.58Å; F371-V396 WeakPolarHBondContact O-CA 3.48Å; L373-V396 HydrophobicContact CB-CG1 3.58Å; L373-V396 HydrophobicContact CD2-CG1 4.42Å; F390-V396 HydrophobicContact CB-CG1 4.48Å; F390-V396 HydrophobicContact CD2-CB 4.08Å; F390-V396 HydrophobicContact CD2-CG1 3.62Å; F390-V396 HydrophobicContact CE2-CG1 4.41Å; C393-V396 HydrophobicContact CB-CG2 3.74Å; P394-V396 VanDerWaalsContact C-N 3.28Å; P394-V396 PolarHBondContact O-N 2.64Å; V396-G398 VanDerWaalsContact C-N 3.34Å; V396-G398 WeakPolarHBondContact CG1-O 3.38Å; V396-G398 PolarHBondContact O-N 3.06Å; V396-K604 WeakPolarHBondContact O-CD 3.47Å |
| 397 | R | 95.9 | Very high | 95.9 | Very high | 24 Ų | 24 | 14.2 Ų | 14.2 | 9% | 0.091 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | -30 | -177.3 | -59.7 | -51.2 | -37 | 177.5 | 11.1 | 113.5 | T156 C158 D370 F371 I372 H395 K604 Q605 | T156-R397 HydrophobicContact CG2-CB 4.29Å; C158-R397 HydrophobicContact CB-CG 4.35Å; D370-R397 HydrophobicContact CB-CG 3.71Å; D370-R397 VanDerWaalsContact CG-CD 3.48Å; D370-R397 WeakPolarHBondContact OD2-CD 3.48Å; D370-R397 IonicContact OD2-NH1 3.88Å; F371-R397 PolarHBondContact O-N 3.39Å; I372-R397 HydrophobicContact CD1-CB 3.99Å; H395-R397 PolarHBondContact O-N 3.05Å; R397-K604 PolarHBondContact NH2-O 3.14Å; R397-K604 PolarHBondContact O-N 3.01Å; R397-Q605 PolarHBondContact NH2-O 3.38Å |
| 398 | G | 97.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163 | 163 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L373 V396 A602 | L373-G398 PolarHBondContact N-O 2.78Å; V396-G398 VanDerWaalsContact C-N 3.34Å; V396-G398 WeakPolarHBondContact CG1-O 3.38Å; V396-G398 PolarHBondContact O-N 3.06Å; G398-A602 CarbonylContact C-O 3.59Å; G398-A602 VanDerWaalsContact CA-O 3.25Å; G398-A602 WeakPolarHBondContact CA-O 3.47Å |
| 399 | I | 98.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 142.1 | 179 | -173.8 | 173.8 | 0 | 0 | 0 | 111.8 | L373 L386 L387 F390 L600 M601 A602 | L373-I399 HydrophobicContact CB-CB 4.5Å; L373-I399 HydrophobicContact CB-CG1 4.34Å; L373-I399 HydrophobicContact CD2-CD1 4.22Å; L373-I399 CarbonylContact O-C 3.57Å; L373-I399 VanDerWaalsContact O-CA 3.22Å; L373-I399 WeakPolarHBondContact O-CA 3.42Å; L386-I399 HydrophobicContact CB-CD1 4.01Å; L387-I399 HydrophobicContact CD2-CD1 4.21Å; F390-I399 HydrophobicContact CB-CB 4.37Å; F390-I399 HydrophobicContact CB-CD1 4.02Å; F390-I399 HydrophobicContact CB-CG2 4.49Å; F390-I399 HydrophobicContact CD1-CB 4.29Å; F390-I399 HydrophobicContact CD1-CG2 3.55Å; F390-I399 HydrophobicContact CD2-CB 4.03Å; F390-I399 HydrophobicContact CD2-CG2 4.01Å; F390-I399 HydrophobicContact CE1-CG2 3.6Å; F390-I399 HydrophobicContact CE2-CB 4.37Å; F390-I399 HydrophobicContact CE2-CG2 4.06Å; F390-I399 HydrophobicContact CG-CB 3.97Å; F390-I399 HydrophobicContact CG-CD1 4.4Å; F390-I399 HydrophobicContact CG-CG2 3.75Å; F390-I399 HydrophobicContact CZ-CG2 3.85Å; I399-L600 HydrophobicContact CG2-CD2 4.46Å; I399-M601 WeakPolarHBondContact O-CA 3.4Å; I399-A602 HydrophobicContact CG2-CB 3.86Å; I399-A602 PolarHBondContact N-O 2.8Å; I399-A602 PolarHBondContact O-N 3.37Å; I399-A602 VanDerWaalsContact O-N 3.14Å |
| 400 | T | 98.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 114.8 | 158.2 | 49.6 | 0 | 0 | 0 | 0 | 111.2 | L145 L148 V149 L152 L373 T374 G375 L600 M601 | L145-T400 HydrophobicContact CD1-CG2 4.45Å; L148-T400 HydrophobicContact CD2-CG2 4.08Å; L148-T400 HydrophobicContact CG-CG2 4.41Å; V149-T400 WeakPolarHBondContact CG2-OG1 3.4Å; L152-T400 HydrophobicContact CD1-CG2 3.81Å; L152-T400 HydrophobicContact CD2-CG2 3.92Å; L373-T400 PolarHBondContact O-N 3.24Å; T374-T400 VanDerWaalsContact CA-O 3.32Å; T374-T400 WeakPolarHBondContact CA-O 3.31Å; T374-T400 WeakPolarHBondContact CB-OG1 3.3Å; T374-T400 PolarHBondContact OG1-O 3.19Å; T374-T400 PolarHBondContact OG1-OG1 2.89Å; T374-T400 VanDerWaalsContact OG1-OG1 3.12Å; G375-T400 PolarHBondContact N-O 3.25Å; G375-T400 VanDerWaalsContact N-O 3.15Å; T400-L600 CarbonylContact C-O 3.59Å; T400-L600 WeakPolarHBondContact CA-O 3.23Å; T400-M601 HydrophobicContact CG2-CG 4.39Å |
| 401 | S | 97.7 | Very high | 95.5 | Very high | 3 Ų | 3 | 17 Ų | 17 | 2% | 0.021 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 123.3 | -176.7 | 174.1 | 0 | 0 | 0 | 0 | 112 | L600 | S401-L600 PolarHBondContact N-O 3.41Å; S401-L600 PolarHBondContact O-N 3.22Å |
| 402 | V | 97.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 94.5 | 175.1 | -171.1 | 0 | 0 | 0 | 0 | 109.5 | L145 G375 L376 H377 A378 F589 V599 | L145-V402 HydrophobicContact CD1-CG2 4.34Å; L145-V402 HydrophobicContact CD2-CG2 3.78Å; G375-V402 PolarHBondContact O-N 2.92Å; L376-V402 HydrophobicContact CD1-CB 4.35Å; L376-V402 HydrophobicContact CD1-CG1 4.38Å; L376-V402 HydrophobicContact CD1-CG2 4.11Å; H377-V402 CarbonylContact C-O 3.58Å; H377-V402 WeakPolarHBondContact CA-O 3.23Å; H377-V402 PolarHBondContact N-O 3.21Å; A378-V402 PolarHBondContact N-O 2.61Å; V402-F589 HydrophobicContact CG1-CE2 3.9Å; V402-F589 HydrophobicContact CG2-CE2 4.42Å; V402-F589 HydrophobicContact CG2-CZ 4.32Å; V402-V599 HydrophobicContact CG2-CB 4.49Å; V402-V599 HydrophobicContact CG2-CG1 4.07Å; V402-V599 HydrophobicContact CG2-CG2 3.86Å |
| 403 | A | 94.2 | Very high | 95 | Very high | 3 Ų | 3 | 20.2 Ų | 20.2 | 3% | 0.025 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 147 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111 | Y406 | A403-Y406 HydrophobicContact CB-CE1 3.74Å |
| 404 | C | 91.8 | Very high | 94.8 | Very high | 12 Ų | 12 | 21.8 Ų | 21.8 | 8% | 0.081 | 12% | 0.119 | C | C | . | . | trans | -148.1 | -30.7 | -175.2 | 62.8 | 0 | 0 | 0 | 0 | 117.3 | H377 R596 | H377-C404 VanDerWaalsContact CA-SG 3.54Å; H377-C404 HydrophobicContact CB-CB 4.45Å; H377-C404 VanDerWaalsContact CB-SG 3.59Å; C404-R596 HydrophobicContact CB-CB 4.42Å; C404-R596 HydrophobicContact CB-CG 3.73Å | ||
| 405 | C | 94.8 | Very high | 94.6 | Very high | 28 Ų | 28 | 21.7 Ų | 21.7 | 19% | 0.189 | 12% | 0.119 | C | C | . | . | trans | -115.2 | 71.5 | -174.5 | -70 | 0 | 0 | 0 | 0 | 110.8 | C379 G380 M407 K408 | C379-C405 HydrophobicContact CB-CB 4.15Å; G380-C405 PolarHBondContact N-O 3.42Å; C405-M407 VanDerWaalsContact C-N 3.28Å; C405-M407 VanDerWaalsContact C-SD 3.59Å; C405-M407 HydrophobicContact CB-CE 4.09Å; C405-M407 HydrophobicContact CB-SD 3.83Å; C405-M407 PolarHBondContact O-N 3.34Å; C405-K408 HydrophobicContact CB-CB 4.22Å; C405-K408 HydrophobicContact CB-CD 4.23Å; C405-K408 HydrophobicContact CB-CG 4.06Å; C405-K408 WeakPolarHBondContact O-CB 3.43Å; C405-K408 PolarHBondContact O-N 3.04Å | ||
| 406 | Y | 95.7 | Very high | 94.3 | Very high | 2 Ų | 2 | 26.2 Ų | 26.2 | 1% | 0.008 | 14% | 0.144 | C | C | . | . | G | 310 helix | trans | -65.8 | -28.5 | -174 | -51 | -71 | 0 | 0 | 0 | 113.3 | A403 K408 I409 R459 A462 C463 E565 V568 | A403-Y406 HydrophobicContact CB-CE1 3.74Å; Y406-K408 PolarHBondContact O-N 3.42Å; Y406-I409 HydrophobicContact CD1-CD1 3.91Å; Y406-I409 WeakPolarHBondContact O-CB 2.86Å; Y406-I409 WeakPolarHBondContact O-CG1 3.41Å; Y406-I409 PolarHBondContact O-N 2.94Å; Y406-I409 VanDerWaalsContact O-N 3.12Å; Y406-R459 WeakPolarHBondContact CB-O 3.22Å; Y406-R459 PolarHBondContact O-NH1 3.47Å; Y406-A462 HydrophobicContact CD2-CB 3.64Å; Y406-A462 HydrophobicContact CE2-CB 4.31Å; Y406-A462 HydrophobicContact CG-CB 4.31Å; Y406-C463 PolarHBondContact N-SG 3.42Å; Y406-C463 VanDerWaalsContact N-SG 3.44Å; Y406-E565 HydrophobicContact CE2-CB 4.27Å; Y406-E565 HydrophobicContact CE2-CG 3.95Å; Y406-E565 WeakPolarHBondContact CE2-OE1 3.37Å; Y406-E565 WeakPolarHBondContact OH-CG 3.14Å; Y406-E565 PolarHBondContact OH-OE1 3.3Å; Y406-V568 HydrophobicContact CD1-CB 4.39Å; Y406-V568 HydrophobicContact CD1-CG1 4.42Å |
| 407 | M | 94.6 | Very high | 93.9 | Very high | 18 Ų | 18 | 26.4 Ų | 26.4 | 9% | 0.089 | 15% | 0.145 | C | C | . | . | G | 310 helix | trans | -64.3 | -19.4 | 173.1 | 76.7 | -60.6 | -167.3 | 0 | 0 | 114 | C405 P417 Y456 R459 E460 | C405-M407 VanDerWaalsContact C-N 3.28Å; C405-M407 VanDerWaalsContact C-SD 3.59Å; C405-M407 HydrophobicContact CB-CE 4.09Å; C405-M407 HydrophobicContact CB-SD 3.83Å; C405-M407 PolarHBondContact O-N 3.34Å; M407-P417 WeakPolarHBondContact O-CB 3.33Å; M407-Y456 HydrophobicContact CB-CD2 4.16Å; M407-Y456 HydrophobicContact CB-CE2 3.67Å; M407-Y456 HydrophobicContact CG-CE2 4.11Å; M407-R459 PolarHBondContact N-O 3.03Å; M407-R459 PolarHBondContact O-NH1 3.45Å; M407-E460 HydrophobicContact CB-CB 3.89Å |
| 408 | K | 94.3 | Very high | 93.2 | Very high | 64 Ų | 64 | 28.6 Ų | 28.6 | 28% | 0.278 | 16% | 0.163 | S | C | . | . | G | 310 helix | trans | -89.9 | 2.6 | 174.9 | -61.8 | -160.5 | 168.5 | -167.1 | 0 | 114.3 | C405 Y406 P417 P418 | C405-K408 HydrophobicContact CB-CB 4.22Å; C405-K408 HydrophobicContact CB-CD 4.23Å; C405-K408 HydrophobicContact CB-CG 4.06Å; C405-K408 WeakPolarHBondContact O-CB 3.43Å; C405-K408 PolarHBondContact O-N 3.04Å; Y406-K408 PolarHBondContact O-N 3.42Å; K408-P417 WeakPolarHBondContact O-CG 3.14Å; K408-P418 WeakPolarHBondContact CE-O 3.33Å; K408-P418 WeakPolarHBondContact CG-O 3.5Å |
| 409 | I | 94.5 | Very high | 92 | Very high | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -77 | 136.7 | 176 | -63.3 | 175.9 | 0 | 0 | 0 | 109.5 | D381 Y406 R459 V568 | D381-I409 VanDerWaalsContact OD1-CA 3.27Å; D381-I409 WeakPolarHBondContact OD1-CA 3.4Å; Y406-I409 HydrophobicContact CD1-CD1 3.91Å; Y406-I409 WeakPolarHBondContact O-CB 2.86Å; Y406-I409 WeakPolarHBondContact O-CG1 3.41Å; Y406-I409 PolarHBondContact O-N 2.94Å; Y406-I409 VanDerWaalsContact O-N 3.12Å; I409-R459 VanDerWaalsContact O-CZ 3.29Å; I409-R459 PolarHBondContact O-NH1 3.02Å; I409-R459 PolarHBondContact O-NH2 3.44Å; I409-R459 VanDerWaalsContact O-NH2 3.17Å; I409-V568 HydrophobicContact CD1-CG1 3.94Å |
| 410 | T | 95 | Very high | 90.9 | Very high | 9 Ų | 9 | 34.1 Ų | 34.1 | 6% | 0.055 | 20% | 0.203 | C | C | . | . | trans | -76.3 | 139.3 | 171 | 62.9 | 0 | 0 | 0 | 0 | 110 | D381 P415 P417 L420 F438 G439 Y440 | D381-T410 PolarHBondContact OD1-N 3.36Å; D381-T410 PolarHBondContact OD1-OG1 3.21Å; D381-T410 WeakPolarHBondContact OD2-CB 3.14Å; D381-T410 WeakPolarHBondContact OD2-CG2 3.4Å; D381-T410 PolarHBondContact OD2-OG1 3.17Å; T410-P415 WeakPolarHBondContact CG2-O 3.38Å; T410-P417 HydrophobicContact CG2-CG 4.01Å; T410-L420 HydrophobicContact CG2-CD1 3.84Å; T410-L420 HydrophobicContact CG2-CD2 4.12Å; T410-F438 WeakPolarHBondContact OG1-CA 3.32Å; T410-G439 PolarHBondContact O-N 3.28Å; T410-G439 VanDerWaalsContact O-N 3.17Å; T410-G439 PolarHBondContact OG1-N 2.81Å; T410-Y440 PolarHBondContact O-N 2.88Å | ||
| 411 | T | 94.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 23% | 0.227 | C | C | . | . | B | Isolated β-bridge | trans | -139.8 | 165.7 | 173.3 | 67 | 0 | 0 | 0 | 0 | 109.2 | E413 N414 P415 Y440 R459 | T411-E413 WeakPolarHBondContact CB-OE2 3.3Å; T411-E413 PolarHBondContact O-N 3.25Å; T411-E413 VanDerWaalsContact O-N 3.14Å; T411-E413 PolarHBondContact OG1-OE2 3.12Å; T411-N414 PolarHBondContact N-O 2.94Å; T411-N414 CarbonylContact O-C 3.55Å; T411-N414 PolarHBondContact O-N 3.45Å; T411-P415 VanDerWaalsContact O-N 3.16Å; T411-Y440 HydrophobicContact CG2-CD1 3.86Å; T411-R459 VanDerWaalsContact CG2-NH2 3.35Å; T411-R459 PolarHBondContact OG1-NH2 2.7Å |
| 412 | S | 92.2 | Very high | 87.8 | Confident | 69 Ų | 69 | 42.3 Ų | 42.3 | 48% | 0.483 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -30.1 | 179.7 | 22.7 | 0 | 0 | 0 | 0 | 114 | ||
| 413 | E | 89.6 | Confident | 86.1 | Confident | 94 Ų | 94 | 45.4 Ų | 45.4 | 44% | 0.439 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | -15.1 | -179.6 | -37.9 | 67.3 | -136.8 | 0 | 0 | 112.2 | T411 Q453 | T411-E413 WeakPolarHBondContact CB-OE2 3.3Å; T411-E413 PolarHBondContact O-N 3.25Å; T411-E413 VanDerWaalsContact O-N 3.14Å; T411-E413 PolarHBondContact OG1-OE2 3.12Å; E413-Q453 HydrophobicContact CG-CB 4.31Å; E413-Q453 HydrophobicContact CG-CG 4.32Å; E413-Q453 WeakPolarHBondContact OE1-CG 3.34Å |
| 414 | N | 89.6 | Confident | 84.3 | Confident | 33 Ų | 33 | 50.4 Ų | 50.4 | 18% | 0.176 | 31% | 0.308 | C | S | . | . | B | Isolated β-bridge | trans | -148.5 | 75.9 | -177.8 | -177.6 | 13.5 | 0 | 0 | 0 | 109.9 | T411 N416 | T411-N414 PolarHBondContact N-O 2.94Å; T411-N414 CarbonylContact O-C 3.55Å; T411-N414 PolarHBondContact O-N 3.45Å; N414-N416 VanDerWaalsContact C-N 3.29Å; N414-N416 PolarHBondContact O-N 2.77Å |
| 415 | P | 89.8 | Confident | 82.3 | Confident | 60 Ų | 60 | 58 Ų | 58 | 39% | 0.39 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -75.4 | -16.5 | -178.2 | 30.1 | -36.6 | 0 | 0 | 0 | 113.3 | T410 T411 P417 F438 | T410-P415 WeakPolarHBondContact CG2-O 3.38Å; T411-P415 VanDerWaalsContact O-N 3.16Å; P415-P417 VanDerWaalsContact C-CD 3.45Å; P415-P417 WeakPolarHBondContact O-CD 3.46Å; P415-F438 HydrophobicContact CB-CE1 3.9Å |
| 416 | N | 88.9 | Confident | 79.9 | Confident | 130 Ų | 130 | 61 Ų | 61 | 70% | 0.695 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -126.2 | 63.9 | -176.3 | -65.7 | -63.5 | 0 | 0 | 0 | 111.5 | N414 | N414-N416 VanDerWaalsContact C-N 3.29Å; N414-N416 PolarHBondContact O-N 2.77Å |
| 417 | P | 87 | Confident | 77.3 | Confident | 4 Ų | 4 | 66.5 Ų | 66.5 | 3% | 0.026 | 40% | 0.404 | C | S | . | . | trans | -69 | 152.4 | -178.7 | 31.1 | -37.2 | 0 | 0 | 0 | 112.2 | M407 K408 T410 P415 G419 L420 | M407-P417 WeakPolarHBondContact O-CB 3.33Å; K408-P417 WeakPolarHBondContact O-CG 3.14Å; T410-P417 HydrophobicContact CG2-CG 4.01Å; P415-P417 VanDerWaalsContact C-CD 3.45Å; P415-P417 WeakPolarHBondContact O-CD 3.46Å; P417-G419 PolarHBondContact O-N 3.39Å; P417-L420 HydrophobicContact CG-CB 4.37Å; P417-L420 WeakPolarHBondContact O-CB 3.41Å; P417-L420 PolarHBondContact O-N 3.48Å; P417-L420 VanDerWaalsContact O-N 3.16Å | ||
| 418 | P | 81.4 | Confident | 74.6 | Confident | 70 Ų | 70 | 73.1 Ų | 73.1 | 46% | 0.455 | 44% | 0.439 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | 123 | 179.9 | -28.5 | 35.4 | 0 | 0 | 0 | 114.3 | K408 Y456 | K408-P418 WeakPolarHBondContact CE-O 3.33Å; K408-P418 WeakPolarHBondContact CG-O 3.5Å; P418-Y456 HydrophobicContact CG-CE2 3.99Å |
| 419 | G | 71.6 | Confident | 72 | Confident | 46 Ų | 46 | 76.2 Ų | 76.2 | 47% | 0.474 | 47% | 0.466 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.5 | 28 | 179 | 0 | 0 | 0 | 0 | 0 | 114.5 | P417 | P417-G419 PolarHBondContact O-N 3.39Š|
| 420 | L | 75.3 | Confident | 69.3 | Low | 71 Ų | 71 | 82.1 Ų | 82.1 | 37% | 0.372 | 50% | 0.502 | S | S | . | . | trans | -60.8 | 136.4 | 155.1 | -175 | 68 | 0 | 0 | 0 | 109.6 | T410 P417 | T410-L420 HydrophobicContact CG2-CD1 3.84Å; T410-L420 HydrophobicContact CG2-CD2 4.12Å; P417-L420 HydrophobicContact CG-CB 4.37Å; P417-L420 WeakPolarHBondContact O-CB 3.41Å; P417-L420 PolarHBondContact O-N 3.48Å; P417-L420 VanDerWaalsContact O-N 3.16Å | ||
| 421 | I | 67.9 | Low | 66.7 | Low | 99 Ų | 99 | 87.9 Ų | 87.9 | 51% | 0.508 | 54% | 0.542 | S | S | . | . | trans | -85.9 | 113.2 | 172.8 | -60.3 | 174.7 | 0 | 0 | 0 | 107.6 | A188 | A188-I421 HydrophobicContact CB-CD1 4.34Š| ||
| 422 | A | 63.2 | Low | 63.9 | Low | 75 Ų | 75 | 95.8 Ų | 95.8 | 62% | 0.62 | 58% | 0.579 | S | S | * | * | trans | -66.3 | 141.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 423 | P | 62.4 | Low | 61.4 | Low | 65 Ų | 65 | 97.5 Ų | 97.5 | 42% | 0.422 | 60% | 0.598 | S | S | . | * | trans | -64.4 | 142.3 | 175.1 | 27.7 | -34.5 | 0 | 0 | 0 | 110.5 | W232 L425 | W232-P423 HydrophobicContact CE3-CB 4.49Å; W232-P423 HydrophobicContact CH2-CB 3.87Å; W232-P423 HydrophobicContact CZ3-CB 3.84Å; P423-L425 PolarHBondContact O-N 2.82Å | ||
| 424 | P | 54.9 | Low | 59.3 | Low | 109 Ų | 109 | 96.5 Ų | 96.5 | 71% | 0.708 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -62.4 | 110.4 | 172 | -21.5 | 33.3 | 0 | 0 | 0 | 111 | S426 | P424-S426 PolarHBondContact O-N 2.94Š|
| 425 | L | 50.3 | Low | 57.4 | Low | 172 Ų | 172 | 103.7 Ų | 103.7 | 90% | 0.901 | 63% | 0.633 | S | S | * | * | trans | 36.1 | 71.8 | 169.5 | -69.4 | 171.4 | 0 | 0 | 0 | 115.8 | P423 | P423-L425 PolarHBondContact O-N 2.82Š| ||
| 426 | S | 44.9 | Very low | 55.9 | Low | 89 Ų | 89 | 104.5 Ų | 104.5 | 62% | 0.622 | 64% | 0.641 | S | S | * | * | trans | -65.2 | 140.7 | 157.3 | 50.7 | 0 | 0 | 0 | 0 | 110.4 | P424 | P424-S426 PolarHBondContact O-N 2.94Š| ||
| 427 | P | 41.3 | Very low | 55.6 | Low | 119 Ų | 119 | 103 Ų | 103 | 77% | 0.773 | 63% | 0.629 | S | S | * | * | trans | -57.3 | 173 | 172.3 | -26.4 | 36 | 0 | 0 | 0 | 114 | ||||
| 428 | L | 38.1 | Very low | 55.9 | Low | 157 Ų | 157 | 105.2 Ų | 105.2 | 82% | 0.822 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -42.7 | 142.2 | -179.8 | -109.5 | 67.6 | 0 | 0 | 0 | 113 | T430 | L428-T430 PolarHBondContact O-N 3.2Š|
| 429 | P | 39.6 | Very low | 56.5 | Low | 128 Ų | 128 | 102 Ų | 102 | 83% | 0.831 | 62% | 0.618 | S | S | * | * | trans | -65.5 | 102.4 | 178 | 27.8 | -34.5 | 0 | 0 | 0 | 110.7 | ||||
| 430 | T | 37.6 | Very low | 57.7 | Low | 125 Ų | 125 | 99.8 Ų | 99.8 | 77% | 0.767 | 60% | 0.595 | S | S | * | * | trans | -64.2 | 137.5 | 162.9 | 40.2 | 0 | 0 | 0 | 0 | 109.2 | L428 E432 | L428-T430 PolarHBondContact O-N 3.2Å; T430-E432 PolarHBondContact O-N 3.04Å | ||
| 431 | S | 39.9 | Very low | 58.8 | Low | 130 Ų | 130 | 97.3 Ų | 97.3 | 91% | 0.909 | 58% | 0.584 | S | S | * | * | S | Bend | trans | -79.3 | 47.1 | -169.8 | -174.7 | 0 | 0 | 0 | 0 | 113.7 | ||
| 432 | E | 36.6 | Very low | 60.1 | Low | 166 Ų | 166 | 93.5 Ų | 93.5 | 78% | 0.776 | 56% | 0.564 | S | S | * | * | trans | -115 | 112 | 168.2 | -70.1 | -165.8 | 174.5 | 0 | 0 | 110.1 | T430 S434 | T430-E432 PolarHBondContact O-N 3.04Å; E432-S434 PolarHBondContact O-N 3.35Å | ||
| 433 | A | 39.7 | Very low | 61.8 | Low | 106 Ų | 106 | 90 Ų | 90 | 88% | 0.876 | 53% | 0.534 | S | S | * | . | trans | -73.8 | 58.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | H435 | A433-H435 PolarHBondContact O-N 2.86Š| ||
| 434 | S | 44.5 | Very low | 63.4 | Low | 73 Ų | 73 | 90.4 Ų | 90.4 | 51% | 0.51 | 54% | 0.539 | S | S | . | . | trans | -50.1 | 128.8 | 168 | 63.5 | 0 | 0 | 0 | 0 | 109 | E432 S436 | E432-S434 PolarHBondContact O-N 3.35Å; S434-S436 PolarHBondContact O-N 2.98Å | ||
| 435 | H | 51.1 | Low | 65.5 | Low | 183 Ų | 183 | 90 Ų | 90 | 85% | 0.847 | 52% | 0.524 | S | S | * | . | trans | -46.6 | 113.9 | -171.7 | -69 | -91.7 | 0 | 0 | 0 | 111 | A433 E437 | A433-H435 PolarHBondContact O-N 2.86Å; H435-E437 PolarHBondContact O-N 3.12Å | ||
| 436 | S | 58.3 | Low | 67.7 | Low | 78 Ų | 78 | 81.8 Ų | 81.8 | 55% | 0.545 | 48% | 0.481 | S | S | . | . | trans | -63.3 | 104.6 | -179.4 | -70.3 | 0 | 0 | 0 | 0 | 109.3 | S434 F438 | S434-S436 PolarHBondContact O-N 2.98Å; S436-F438 VanDerWaalsContact CB-CZ 3.46Å; S436-F438 WeakPolarHBondContact O-CD2 3.49Å; S436-F438 WeakPolarHBondContact O-CE2 3.44Å; S436-F438 WeakPolarHBondContact O-CG 3.36Å; S436-F438 PolarHBondContact O-N 3.49Å | ||
| 437 | E | 82.3 | Confident | 70.2 | Confident | 97 Ų | 97 | 83.5 Ų | 83.5 | 45% | 0.453 | 48% | 0.479 | S | S | . | . | trans | -78.7 | 74.1 | -173.5 | -132.1 | -149.7 | 133.9 | 0 | 0 | 110.8 | R388 H435 | R388-E437 VanDerWaalsContact CZ-CD 3.43Å; R388-E437 IonicContact CZ-OE1 2.74Å; R388-E437 IonicContact CZ-OE2 3.76Å; R388-E437 IonicContact NE-OE1 3.69Å; R388-E437 PolarHBondContact NE-OE1 3.44Å; R388-E437 IonicContact NE-OE2 2.67Å; R388-E437 PolarHBondContact NE-OE2 3.49Å; R388-E437 PolarHBondContact NH1-O 3.29Å; R388-E437 VanDerWaalsContact NH2-CG 3.33Å; R388-E437 PolarHBondContact NH2-O 3.42Å; R388-E437 VanDerWaalsContact NH2-O 3.07Å; R388-E437 IonicContact NH2-OE1 3.49Å; R388-E437 PolarHBondContact NH2-OE1 3.31Å; R388-E437 IonicContact NH2-OE2 2.68Å; H435-E437 PolarHBondContact O-N 3.12Å | ||
| 438 | F | 92.4 | Very high | 72.9 | Confident | 52 Ų | 52 | 81 Ų | 81 | 23% | 0.228 | 47% | 0.474 | C | S | . | . | trans | -55 | 158.6 | -179.5 | -61.5 | -58.3 | 0 | 0 | 0 | 112.6 | R388 T410 P415 S436 Y440 | R388-F438 PolarHBondContact NH2-O 3.07Å; T410-F438 WeakPolarHBondContact OG1-CA 3.32Å; P415-F438 HydrophobicContact CB-CE1 3.9Å; S436-F438 VanDerWaalsContact CB-CZ 3.46Å; S436-F438 WeakPolarHBondContact O-CD2 3.49Å; S436-F438 WeakPolarHBondContact O-CE2 3.44Å; S436-F438 WeakPolarHBondContact O-CG 3.36Å; S436-F438 PolarHBondContact O-N 3.49Å; F438-Y440 VanDerWaalsContact C-N 3.28Å | ||
| 439 | G | 94.5 | Very high | 75.7 | Confident | 1 Ų | 1 | 74.3 Ų | 74.3 | 1% | 0.01 | 44% | 0.439 | C | S | . | . | S | Bend | trans | -76 | -14.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | D381 T410 | D381-G439 WeakPolarHBondContact OD1-CA 3.27Å; T410-G439 PolarHBondContact O-N 3.28Å; T410-G439 VanDerWaalsContact O-N 3.17Å; T410-G439 PolarHBondContact OG1-N 2.81Å |
| 440 | Y | 97.1 | Very high | 78.5 | Confident | 1 Ų | 1 | 73.3 Ų | 73.3 | 0% | 0.004 | 43% | 0.433 | C | S | . | . | S | Bend | trans | -154.2 | 143.7 | 167.9 | 170.4 | -88.7 | 0 | 0 | 0 | 111.4 | T410 T411 F438 V446 H452 L454 L567 V568 D571 | T410-Y440 PolarHBondContact O-N 2.88Å; T411-Y440 HydrophobicContact CG2-CD1 3.86Å; F438-Y440 VanDerWaalsContact C-N 3.28Å; Y440-V446 HydrophobicContact CE2-CG1 4.21Å; Y440-H452 VanDerWaalsContact CE1-O 3.28Å; Y440-H452 WeakPolarHBondContact CE1-O 3.32Å; Y440-H452 PolarHBondContact OH-O 2.93Å; Y440-L454 HydrophobicContact CD1-CD1 4.28Å; Y440-L454 HydrophobicContact CE1-CB 4.07Å; Y440-L454 HydrophobicContact CE1-CD1 3.67Å; Y440-L454 HydrophobicContact CE1-CG 3.75Å; Y440-L454 HydrophobicContact CE2-CD1 4.06Å; Y440-L567 WeakPolarHBondContact OH-CD2 3.43Å; Y440-V568 HydrophobicContact CD2-CB 4.43Å; Y440-V568 HydrophobicContact CD2-CG1 3.72Å; Y440-V568 HydrophobicContact CE2-CG1 4.38Å; Y440-V568 HydrophobicContact CG-CG1 4.31Å; Y440-D571 HydrophobicContact CD2-CB 4.19Å; Y440-D571 WeakPolarHBondContact CD2-OD2 3.48Å; Y440-D571 HydrophobicContact CE2-CB 3.96Å |
| 441 | P | 97.3 | Very high | 81.2 | Confident | 19 Ų | 19 | 68.6 Ų | 68.6 | 12% | 0.123 | 41% | 0.409 | C | S | . | . | cis | -72.2 | 149.6 | -11.7 | 31.4 | -34.8 | 0 | 0 | 0 | 111.7 | V446 Q447 | P441-V446 HydrophobicContact CB-CB 4.25Å; P441-V446 HydrophobicContact CB-CG1 4.03Å; P441-Q447 HydrophobicContact CB-CB 4.43Å; P441-Q447 HydrophobicContact CG-CB 3.78Å; P441-Q447 HydrophobicContact CG-CG 4.03Å | ||
| 442 | M | 97 | Very high | 83.9 | Confident | 19 Ų | 19 | 63.2 Ų | 63.2 | 9% | 0.094 | 37% | 0.37 | C | S | . | . | trans | -91.7 | -35.5 | 172.1 | -64.5 | -164.7 | 73.2 | 0 | 0 | 112.4 | A384 L387 R388 D571 R572 Y575 | A384-M442 HydrophobicContact CB-CE 3.84Å; A384-M442 HydrophobicContact CB-CG 4.25Å; A384-M442 HydrophobicContact CB-SD 3.53Å; A384-M442 VanDerWaalsContact CB-SD 3.53Å; L387-M442 HydrophobicContact CB-CE 3.95Å; L387-M442 HydrophobicContact CB-SD 4.33Å; L387-M442 HydrophobicContact CD1-SD 3.8Å; R388-M442 HydrophobicContact CG-CE 4.15Å; M442-D571 VanDerWaalsContact N-CG 3.34Å; M442-D571 PolarHBondContact N-OD1 3.22Å; M442-D571 VanDerWaalsContact N-OD1 3.13Å; M442-D571 PolarHBondContact N-OD2 3.28Å; M442-R572 HydrophobicContact SD-CG 4.2Å; M442-Y575 HydrophobicContact CB-CD2 3.94Å; M442-Y575 HydrophobicContact CB-CG 3.89Å; M442-Y575 HydrophobicContact CE-CD1 3.85Å; M442-Y575 HydrophobicContact CE-CD2 4.31Å; M442-Y575 HydrophobicContact CE-CE1 3.67Å; M442-Y575 HydrophobicContact CE-CE2 4.12Å; M442-Y575 HydrophobicContact CE-CG 4.16Å; M442-Y575 VanDerWaalsContact O-CD2 3.27Å; M442-Y575 WeakPolarHBondContact O-CD2 3.47Å | ||
| 443 | S | 97.4 | Very high | 86.8 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -86.3 | 138.4 | -175.9 | 64.1 | 0 | 0 | 0 | 0 | 112.4 | W445 V446 Q447 D571 E578 | S443-W445 PolarHBondContact O-N 3.44Å; S443-V446 PolarHBondContact O-N 3.48Å; S443-V446 VanDerWaalsContact OG-CB 3.31Å; S443-V446 WeakPolarHBondContact OG-CB 3.22Å; S443-V446 VanDerWaalsContact OG-CG2 3.26Å; S443-V446 WeakPolarHBondContact OG-CG2 3.26Å; S443-V446 PolarHBondContact OG-N 2.97Å; S443-Q447 WeakPolarHBondContact O-CB 3.47Å; S443-Q447 PolarHBondContact O-N 3.4Å; S443-D571 WeakPolarHBondContact CB-O 3.32Å; S443-D571 WeakPolarHBondContact CB-OD1 3.26Å; S443-D571 PolarHBondContact N-OD1 2.88Å; S443-D571 PolarHBondContact OG-OD1 3.24Å; S443-E578 WeakPolarHBondContact CA-OE2 2.83Å |
| 444 | S | 96.9 | Very high | 89.5 | Confident | 75 Ų | 75 | 54.1 Ų | 54.1 | 52% | 0.524 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -60.2 | -32.8 | 172.9 | 69.5 | 0 | 0 | 0 | 0 | 111.9 | G448 E578 | S444-G448 PolarHBondContact O-N 3.37Å; S444-E578 WeakPolarHBondContact CA-OE1 3.44Å; S444-E578 PolarHBondContact N-OE1 3.33Å; S444-E578 PolarHBondContact N-OE2 3.44Å; S444-E578 PolarHBondContact OG-OE1 3.06Å; S444-E578 PolarHBondContact OG-OE2 3.15Å |
| 445 | W | 97.8 | Very high | 92 | Very high | 100 Ų | 100 | 51.9 Ų | 51.9 | 38% | 0.379 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.3 | -52.1 | 176.5 | -176.4 | -96.8 | 0 | 0 | 0 | 112.5 | R13 S443 Q447 G448 L449 L574 E578 | R13-W445 HydrophobicContact CB-CD2 4.18Å; R13-W445 HydrophobicContact CB-CH2 4.44Å; R13-W445 HydrophobicContact CB-CZ2 3.69Å; R13-W445 HydrophobicContact CG-CD2 3.63Å; R13-W445 HydrophobicContact CG-CE3 4.17Å; R13-W445 HydrophobicContact CG-CG 3.9Å; R13-W445 HydrophobicContact CG-CZ2 4.02Å; R13-W445 PolarHBondContact O-NE1 3.24Å; R13-W445 VanDerWaalsContact O-NE1 3.15Å; S443-W445 PolarHBondContact O-N 3.44Å; W445-Q447 VanDerWaalsContact C-N 3.34Å; W445-G448 PolarHBondContact O-N 3.43Å; W445-L449 PolarHBondContact O-N 3.24Å; W445-L574 HydrophobicContact CB-CD1 4.45Å; W445-L574 HydrophobicContact CG-CD1 4.4Å; W445-E578 PolarHBondContact N-OE1 2.85Å |
| 446 | V | 98.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -68.1 | -37.2 | -179.7 | 176.1 | 0 | 0 | 0 | 0 | 110.7 | A16 Y440 P441 S443 G448 L449 H452 L567 D571 L574 | A16-V446 HydrophobicContact CB-CG2 4.18Å; Y440-V446 HydrophobicContact CE2-CG1 4.21Å; P441-V446 HydrophobicContact CB-CB 4.25Å; P441-V446 HydrophobicContact CB-CG1 4.03Å; S443-V446 PolarHBondContact O-N 3.48Å; S443-V446 VanDerWaalsContact OG-CB 3.31Å; S443-V446 WeakPolarHBondContact OG-CB 3.22Å; S443-V446 VanDerWaalsContact OG-CG2 3.26Å; S443-V446 WeakPolarHBondContact OG-CG2 3.26Å; S443-V446 PolarHBondContact OG-N 2.97Å; V446-G448 PolarHBondContact O-N 3.07Å; V446-L449 PolarHBondContact O-N 3.5Å; V446-L449 VanDerWaalsContact O-N 3.08Å; V446-H452 HydrophobicContact CG1-CB 3.91Å; V446-H452 VanDerWaalsContact O-CB 3.27Å; V446-H452 WeakPolarHBondContact O-CB 3.45Å; V446-H452 VanDerWaalsContact O-CG 3.26Å; V446-H452 PolarHBondContact O-ND1 3.05Å; V446-H452 VanDerWaalsContact O-ND1 3.13Å; V446-L567 HydrophobicContact CG1-CD1 4.26Å; V446-L567 HydrophobicContact CG2-CD1 4.49Å; V446-D571 HydrophobicContact CB-CB 4.42Å; V446-D571 HydrophobicContact CG2-CB 4.06Å; V446-L574 HydrophobicContact CG2-CD1 3.82Å |
| 447 | Q | 96.9 | Very high | 95.8 | Very high | 125 Ų | 125 | 43.7 Ų | 43.7 | 58% | 0.584 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -59.3 | -33.7 | 172.6 | -166.4 | 179.6 | 26.9 | 0 | 0 | 112.8 | P441 S443 W445 H452 | P441-Q447 HydrophobicContact CB-CB 4.43Å; P441-Q447 HydrophobicContact CG-CB 3.78Å; P441-Q447 HydrophobicContact CG-CG 4.03Å; S443-Q447 WeakPolarHBondContact O-CB 3.47Å; S443-Q447 PolarHBondContact O-N 3.4Å; W445-Q447 VanDerWaalsContact C-N 3.34Å; Q447-H452 PolarHBondContact O-CE1 2.8Å; Q447-H452 PolarHBondContact O-ND1 3.2Å |
| 448 | G | 97.2 | Very high | 96.5 | Very high | 65 Ų | 65 | 39.3 Ų | 39.3 | 67% | 0.67 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -76.8 | -13.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | S444 W445 V446 | S444-G448 PolarHBondContact O-N 3.37Å; W445-G448 PolarHBondContact O-N 3.43Å; V446-G448 PolarHBondContact O-N 3.07Å |
| 449 | L | 98.2 | Very high | 96.8 | Very high | 17 Ų | 17 | 36.8 Ų | 36.8 | 9% | 0.089 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -79.6 | 137.2 | -179 | -71 | 174.9 | 0 | 0 | 0 | 111.9 | A16 R17 T20 W445 V446 H452 | A16-L449 HydrophobicContact CB-CD1 3.77Å; R17-L449 HydrophobicContact CB-CD2 4.22Å; R17-L449 HydrophobicContact CG-CD2 4.34Å; T20-L449 HydrophobicContact CG2-CB 4.09Å; T20-L449 HydrophobicContact CG2-CD1 3.86Å; W445-L449 PolarHBondContact O-N 3.24Å; V446-L449 PolarHBondContact O-N 3.5Å; V446-L449 VanDerWaalsContact O-N 3.08Å; L449-H452 PolarHBondContact O-ND1 2.81Å |
| 450 | P | 97 | Very high | 96.8 | Very high | 107 Ų | 107 | 38.7 Ų | 38.7 | 70% | 0.695 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | 140.8 | 169.7 | 28.6 | -34.2 | 0 | 0 | 0 | 110.1 | T20 H452 | T20-P450 PolarHBondContact OG1-O 3.24Å; P450-H452 VanDerWaalsContact C-N 3.31Å; P450-H452 PolarHBondContact O-N 3.4Å |
| 451 | G | 95 | Very high | 96.7 | Very high | 27 Ų | 27 | 39.3 Ų | 39.3 | 28% | 0.278 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.5 | 19.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | S24 Q453 | S24-G451 WeakPolarHBondContact OG-CA 3.46Å; S24-G451 PolarHBondContact OG-O 2.99Å; G451-Q453 PolarHBondContact O-N 3.06Å |
| 452 | H | 97.1 | Very high | 96.6 | Very high | 17 Ų | 17 | 38.4 Ų | 38.4 | 8% | 0.079 | 22% | 0.223 | C | C | . | . | trans | -70.2 | -12.8 | 176.2 | 71.1 | -109.4 | 0 | 0 | 0 | 114.1 | T20 Y440 V446 Q447 L449 P450 L454 | T20-H452 HydrophobicContact CG2-CB 3.93Å; Y440-H452 VanDerWaalsContact CE1-O 3.28Å; Y440-H452 WeakPolarHBondContact CE1-O 3.32Å; Y440-H452 PolarHBondContact OH-O 2.93Å; V446-H452 HydrophobicContact CG1-CB 3.91Å; V446-H452 VanDerWaalsContact O-CB 3.27Å; V446-H452 WeakPolarHBondContact O-CB 3.45Å; V446-H452 VanDerWaalsContact O-CG 3.26Å; V446-H452 PolarHBondContact O-ND1 3.05Å; V446-H452 VanDerWaalsContact O-ND1 3.13Å; Q447-H452 PolarHBondContact O-CE1 2.8Å; Q447-H452 PolarHBondContact O-ND1 3.2Å; L449-H452 PolarHBondContact O-ND1 2.81Å; P450-H452 VanDerWaalsContact C-N 3.31Å; P450-H452 PolarHBondContact O-N 3.4Å; H452-L454 PolarHBondContact O-N 2.8Å | ||
| 453 | Q | 96.7 | Very high | 96.5 | Very high | 72 Ų | 72 | 38.9 Ų | 38.9 | 34% | 0.336 | 23% | 0.228 | S | C | . | . | trans | -68.1 | 122.7 | -172.6 | -61.1 | 75.3 | 38.9 | 0 | 0 | 111.2 | E413 G451 | E413-Q453 HydrophobicContact CG-CB 4.31Å; E413-Q453 HydrophobicContact CG-CG 4.32Å; E413-Q453 WeakPolarHBondContact OE1-CG 3.34Å; G451-Q453 PolarHBondContact O-N 3.06Å | ||
| 454 | L | 96.7 | Very high | 96.1 | Very high | 8 Ų | 8 | 41.8 Ų | 41.8 | 4% | 0.042 | 24% | 0.241 | C | C | . | . | trans | -105.4 | 111.3 | -179.2 | -68.1 | 177.5 | 0 | 0 | 0 | 110.6 | L23 Y440 H452 R459 V564 L567 V568 | L23-L454 HydrophobicContact CD1-CD2 4.09Å; Y440-L454 HydrophobicContact CD1-CD1 4.28Å; Y440-L454 HydrophobicContact CE1-CB 4.07Å; Y440-L454 HydrophobicContact CE1-CD1 3.67Å; Y440-L454 HydrophobicContact CE1-CG 3.75Å; Y440-L454 HydrophobicContact CE2-CD1 4.06Å; H452-L454 PolarHBondContact O-N 2.8Å; L454-R459 HydrophobicContact CB-CG 3.66Å; L454-R459 HydrophobicContact CD1-CG 4.41Å; L454-R459 PolarHBondContact O-NE 2.86Å; L454-V564 HydrophobicContact CD1-CG1 3.96Å; L454-V564 HydrophobicContact CD2-CG1 4.03Å; L454-L567 HydrophobicContact CD1-CD2 4.37Å; L454-L567 HydrophobicContact CD2-CD2 4.25Å; L454-L567 HydrophobicContact CG-CD2 4.49Å; L454-V568 HydrophobicContact CD1-CG2 3.58Å | ||
| 455 | S | 96.3 | Very high | 95.5 | Very high | 27 Ų | 27 | 39 Ų | 39 | 19% | 0.189 | 22% | 0.223 | C | C | . | . | trans | -58.2 | 158.5 | 177.6 | 76.5 | 0 | 0 | 0 | 0 | 112 | D31 K457 A458 R459 | D31-S455 VanDerWaalsContact CG-CB 3.48Å; D31-S455 WeakPolarHBondContact OD1-CB 3.29Å; D31-S455 PolarHBondContact OD1-OG 3.25Å; D31-S455 WeakPolarHBondContact OD2-CB 3.48Å; D31-S455 PolarHBondContact OD2-OG 3.39Å; S455-K457 PolarHBondContact O-N 2.82Å; S455-K457 PolarHBondContact OG-N 3.1Å; S455-A458 PolarHBondContact O-N 3.26Å; S455-A458 WeakPolarHBondContact OG-CB 3.21Å; S455-A458 PolarHBondContact OG-N 3.22Å; S455-R459 WeakPolarHBondContact O-CB 3.45Å; S455-R459 WeakPolarHBondContact O-CG 3.45Å; S455-R459 PolarHBondContact O-N 3.25Å | ||
| 456 | Y | 95.5 | Very high | 95.2 | Very high | 68 Ų | 68 | 35.3 Ų | 35.3 | 27% | 0.267 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -52.9 | -38.8 | 171.2 | 174.9 | -98 | 0 | 0 | 0 | 111.8 | F33 M407 P418 R459 E460 | F33-Y456 HydrophobicContact CZ-CD1 4.46Å; M407-Y456 HydrophobicContact CB-CD2 4.16Å; M407-Y456 HydrophobicContact CB-CE2 3.67Å; M407-Y456 HydrophobicContact CG-CE2 4.11Å; P418-Y456 HydrophobicContact CG-CE2 3.99Å; Y456-R459 PolarHBondContact O-N 3.2Å; Y456-E460 HydrophobicContact CE1-CB 4.49Å; Y456-E460 WeakPolarHBondContact O-CB 3.22Å; Y456-E460 PolarHBondContact O-N 3.34Å |
| 457 | K | 95.3 | Very high | 94.8 | Very high | 21 Ų | 21 | 37.3 Ų | 37.3 | 9% | 0.091 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -74.9 | -39.1 | -176.8 | -175.5 | 51.9 | -178.8 | 168 | 0 | 113 | D31 S32 F33 S455 R459 E460 G461 | D31-K457 WeakPolarHBondContact O-CG 3.44Å; S32-K457 WeakPolarHBondContact O-CE 3.4Å; S32-K457 WeakPolarHBondContact O-CG 3.08Å; F33-K457 HydrophobicContact CD1-CD 4Å; F33-K457 HydrophobicContact CD1-CG 4.42Å; F33-K457 HydrophobicContact CD2-CB 4.38Å; F33-K457 HydrophobicContact CD2-CG 4.2Å; F33-K457 HydrophobicContact CE1-CB 4.36Å; F33-K457 HydrophobicContact CE1-CD 4.02Å; F33-K457 HydrophobicContact CE1-CG 4.38Å; F33-K457 HydrophobicContact CE2-CB 3.84Å; F33-K457 HydrophobicContact CE2-CG 4.14Å; F33-K457 HydrophobicContact CG-CD 4.33Å; F33-K457 HydrophobicContact CG-CG 4.34Å; F33-K457 HydrophobicContact CZ-CB 3.83Å; F33-K457 HydrophobicContact CZ-CD 4.36Å; F33-K457 HydrophobicContact CZ-CG 4.24Å; S455-K457 PolarHBondContact O-N 2.82Å; S455-K457 PolarHBondContact OG-N 3.1Å; K457-R459 VanDerWaalsContact C-N 3.29Å; K457-R459 PolarHBondContact O-N 3.06Å; K457-E460 IonicContact NZ-OE1 3.18Å; K457-E460 PolarHBondContact NZ-OE1 2.72Å; K457-E460 IonicContact NZ-OE2 2.82Å; K457-E460 PolarHBondContact NZ-OE2 2.8Å; K457-E460 PolarHBondContact O-N 3.21Å; K457-G461 PolarHBondContact O-N 3.24Å |
| 458 | A | 97.2 | Very high | 94.3 | Very high | 4 Ų | 4 | 34.2 Ų | 34.2 | 3% | 0.033 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.4 | -41.5 | 171 | 0 | 0 | 0 | 0 | 0 | 111.2 | S30 S455 G461 A462 V564 | S30-A458 PolarHBondContact O-N 2.73Å; S455-A458 PolarHBondContact O-N 3.26Å; S455-A458 WeakPolarHBondContact OG-CB 3.21Å; S455-A458 PolarHBondContact OG-N 3.22Å; A458-G461 PolarHBondContact O-N 3.12Å; A458-A462 PolarHBondContact O-N 3.33Å; A458-A462 VanDerWaalsContact O-N 3.07Å; A458-V564 HydrophobicContact CB-CG2 4.17Å |
| 459 | R | 97.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -73.6 | -25.6 | 178.4 | -65.2 | -170.1 | -74.7 | 119.9 | -23.6 | 113.8 | Y406 M407 I409 T411 L454 S455 Y456 K457 | Y406-R459 WeakPolarHBondContact CB-O 3.22Å; Y406-R459 PolarHBondContact O-NH1 3.47Å; M407-R459 PolarHBondContact N-O 3.03Å; M407-R459 PolarHBondContact O-NH1 3.45Å; I409-R459 VanDerWaalsContact O-CZ 3.29Å; I409-R459 PolarHBondContact O-NH1 3.02Å; I409-R459 PolarHBondContact O-NH2 3.44Å; I409-R459 VanDerWaalsContact O-NH2 3.17Å; T411-R459 VanDerWaalsContact CG2-NH2 3.35Å; T411-R459 PolarHBondContact OG1-NH2 2.7Å; L454-R459 HydrophobicContact CB-CG 3.66Å; L454-R459 HydrophobicContact CD1-CG 4.41Å; L454-R459 PolarHBondContact O-NE 2.86Å; S455-R459 WeakPolarHBondContact O-CB 3.45Å; S455-R459 WeakPolarHBondContact O-CG 3.45Å; S455-R459 PolarHBondContact O-N 3.25Å; Y456-R459 PolarHBondContact O-N 3.2Å; K457-R459 VanDerWaalsContact C-N 3.29Å; K457-R459 PolarHBondContact O-N 3.06Å |
| 460 | E | 95.6 | Very high | 93.9 | Very high | 41 Ų | 41 | 31.5 Ų | 31.5 | 19% | 0.192 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -74.7 | -39.1 | 166.7 | 176.9 | -101.6 | -118.4 | 0 | 0 | 111.3 | M407 Y456 K457 A462 C463 H464 | M407-E460 HydrophobicContact CB-CB 3.89Å; Y456-E460 HydrophobicContact CE1-CB 4.49Å; Y456-E460 WeakPolarHBondContact O-CB 3.22Å; Y456-E460 PolarHBondContact O-N 3.34Å; K457-E460 IonicContact NZ-OE1 3.18Å; K457-E460 PolarHBondContact NZ-OE1 2.72Å; K457-E460 IonicContact NZ-OE2 2.82Å; K457-E460 PolarHBondContact NZ-OE2 2.8Å; K457-E460 PolarHBondContact O-N 3.21Å; E460-A462 VanDerWaalsContact C-N 3.28Å; E460-A462 PolarHBondContact O-N 3.43Å; E460-C463 WeakPolarHBondContact O-CA 3.47Å; E460-C463 VanDerWaalsContact O-CB 3.26Å; E460-C463 WeakPolarHBondContact O-CB 3.43Å; E460-C463 PolarHBondContact O-N 2.94Å; E460-H464 IonicContact OE2-CE1 3.42Å; E460-H464 PolarHBondContact OE2-CE1 3.45Å; E460-H464 IonicContact OE2-ND1 3.58Å |
| 461 | G | 95.1 | Very high | 93.6 | Very high | 14 Ų | 14 | 29.5 Ų | 29.5 | 14% | 0.144 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -55.4 | -44.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | K457 A458 C463 H464 A561 | K457-G461 PolarHBondContact O-N 3.24Å; A458-G461 PolarHBondContact O-N 3.12Å; G461-C463 PolarHBondContact O-N 3.05Å; G461-H464 WeakPolarHBondContact O-CB 3.45Å; G461-H464 PolarHBondContact O-N 2.9Å; G461-A561 WeakPolarHBondContact O-CB 3.38Å |
| 462 | A | 95.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -16.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y406 A458 E460 V564 E565 R596 | Y406-A462 HydrophobicContact CD2-CB 3.64Å; Y406-A462 HydrophobicContact CE2-CB 4.31Å; Y406-A462 HydrophobicContact CG-CB 4.31Å; A458-A462 PolarHBondContact O-N 3.33Å; A458-A462 VanDerWaalsContact O-N 3.07Å; E460-A462 VanDerWaalsContact C-N 3.28Å; E460-A462 PolarHBondContact O-N 3.43Å; A462-V564 HydrophobicContact CB-CB 4.04Å; A462-V564 HydrophobicContact CB-CG1 3.9Å; A462-E565 HydrophobicContact CB-CB 4.36Å; A462-R596 PolarHBondContact O-NH2 2.94Å |
| 463 | C | 93.1 | Very high | 93.5 | Very high | 28 Ų | 28 | 30 Ų | 30 | 19% | 0.189 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | -3.5 | 175.1 | -60.6 | 0 | 0 | 0 | 0 | 113.6 | Y406 E460 G461 R596 | Y406-C463 PolarHBondContact N-SG 3.42Å; Y406-C463 VanDerWaalsContact N-SG 3.44Å; E460-C463 WeakPolarHBondContact O-CA 3.47Å; E460-C463 VanDerWaalsContact O-CB 3.26Å; E460-C463 WeakPolarHBondContact O-CB 3.43Å; E460-C463 PolarHBondContact O-N 2.94Å; G461-C463 PolarHBondContact O-N 3.05Å; C463-R596 VanDerWaalsContact C-NH1 3.28Å; C463-R596 PolarHBondContact O-NH1 2.84Å |
| 464 | H | 89.7 | Confident | 93.4 | Very high | 62 Ų | 62 | 31.6 Ų | 31.6 | 29% | 0.287 | 15% | 0.154 | S | C | . | . | S | Bend | trans | -85.5 | 166.9 | 172.5 | -63.4 | 135.7 | 0 | 0 | 0 | 112.5 | E460 G461 L558 R596 | E460-H464 IonicContact OE2-CE1 3.42Å; E460-H464 PolarHBondContact OE2-CE1 3.45Å; E460-H464 IonicContact OE2-ND1 3.58Å; G461-H464 WeakPolarHBondContact O-CB 3.45Å; G461-H464 PolarHBondContact O-N 2.9Å; H464-L558 HydrophobicContact CB-CD1 3.4Å; H464-R596 PolarHBondContact O-NH1 3.17Å; H464-R596 PolarHBondContact O-NH2 3.17Å |
| 465 | A | 85.3 | Confident | 93.3 | Very high | 16 Ų | 16 | 37 Ų | 37 | 13% | 0.132 | 18% | 0.179 | C | C | . | . | trans | -122.8 | 132.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | P595 | A465-P595 HydrophobicContact CB-CB 3.53Å; A465-P595 HydrophobicContact CB-CG 3.47Å; A465-P595 VanDerWaalsContact CB-CG 3.47Å | ||
| 466 | I | 91.2 | Very high | 93.3 | Very high | 23 Ų | 23 | 41.4 Ų | 41.4 | 12% | 0.118 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -75.3 | -37.7 | 174.9 | -72.4 | 172 | 0 | 0 | 0 | 109.3 | L67 Y469 M470 L558 P562 | L67-I466 HydrophobicContact CB-CG2 4.39Å; I466-Y469 PolarHBondContact O-N 2.9Å; I466-M470 HydrophobicContact CG2-CG 3.88Å; I466-M470 HydrophobicContact CG2-SD 3.47Å; I466-M470 WeakPolarHBondContact CG2-SD 3.39Å; I466-M470 WeakPolarHBondContact O-CG 3.47Å; I466-M470 PolarHBondContact O-N 2.96Å; I466-L558 HydrophobicContact CG1-CD2 4.28Å; I466-L558 HydrophobicContact CG1-CG 3.86Å; I466-P562 HydrophobicContact CD1-CG 3.49Å; I466-P562 VanDerWaalsContact CD1-CG 3.49Å; I466-P562 HydrophobicContact CG1-CG 4.45Å |
| 467 | E | 89.3 | Confident | 93.2 | Very high | 41 Ų | 41 | 39.4 Ų | 39.4 | 19% | 0.192 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.1 | -55.1 | -169.4 | -58.9 | 84.6 | 168.1 | 0 | 0 | 111.5 | R98 Y469 H471 P591 A592 | R98-E467 IonicContact CZ-OE1 3.26Å; R98-E467 VanDerWaalsContact CZ-OE1 3.27Å; R98-E467 IonicContact NE-OE1 3.87Å; R98-E467 PolarHBondContact NE-OE1 2.98Å; R98-E467 IonicContact NH2-OE1 2.65Å; R98-E467 PolarHBondContact NH2-OE1 3.25Å; R98-E467 IonicContact NH2-OE2 3.76Å; E467-Y469 PolarHBondContact O-N 3.19Å; E467-H471 PolarHBondContact O-N 2.69Å; E467-P591 HydrophobicContact CG-CB 4.32Å; E467-A592 HydrophobicContact CB-CB 4.4Å |
| 468 | D | 87.4 | Confident | 93.1 | Very high | 61 Ų | 61 | 39.8 Ų | 39.8 | 33% | 0.326 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -63.7 | -22 | 173.7 | -74 | -38.5 | 0 | 0 | 0 | 113.7 | R472 | D468-R472 PolarHBondContact O-NE 3.06Å |
| 469 | Y | 93.4 | Very high | 92.9 | Very high | 2 Ų | 2 | 41.4 Ų | 41.4 | 1% | 0.008 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -88 | -39.9 | -177.2 | -169.4 | -107 | 0 | 0 | 0 | 111.6 | L67 I466 E467 H471 R472 L473 L480 F554 S555 L558 | L67-Y469 HydrophobicContact CD1-CD1 3.88Å; L67-Y469 HydrophobicContact CD1-CE1 4.35Å; I466-Y469 PolarHBondContact O-N 2.9Å; E467-Y469 PolarHBondContact O-N 3.19Å; Y469-H471 VanDerWaalsContact C-N 3.25Å; Y469-H471 PolarHBondContact O-N 3.26Å; Y469-R472 PolarHBondContact O-N 3.14Å; Y469-L473 HydrophobicContact CD1-CD1 3.71Å; Y469-L473 HydrophobicContact CD1-CG 4.06Å; Y469-L473 HydrophobicContact CE1-CD1 3.59Å; Y469-L473 HydrophobicContact CE1-CD2 4.07Å; Y469-L473 HydrophobicContact CE1-CG 3.8Å; Y469-L473 WeakPolarHBondContact O-CG 3.48Å; Y469-L473 PolarHBondContact O-N 2.88Å; Y469-L480 HydrophobicContact CE2-CD2 3.67Å; Y469-F554 AromaticContact CD2-CE1 3.94Å; Y469-F554 HydrophobicContact CD2-CE1 3.94Å; Y469-F554 HydrophobicContact CE1-CD1 4.15Å; Y469-F554 HydrophobicContact CE1-CE1 4.35Å; Y469-F554 AromaticContact CE2-CD1 3.79Å; Y469-F554 HydrophobicContact CE2-CD1 3.79Å; Y469-F554 AromaticContact CE2-CE1 3.62Å; Y469-F554 HydrophobicContact CE2-CE1 3.62Å; Y469-F554 HydrophobicContact CG-CE1 4.45Å; Y469-F554 AromaticContact CZ-CD1 3.58Å; Y469-F554 AromaticContact CZ-CE1 3.85Å; Y469-S555 WeakPolarHBondContact CE1-OG 3.46Å; Y469-L558 HydrophobicContact CD1-CD2 3.41Å; Y469-L558 VanDerWaalsContact CD1-CD2 3.41Å; Y469-L558 HydrophobicContact CE1-CD2 4.22Å; Y469-L558 HydrophobicContact CG-CD2 3.62Å |
| 470 | M | 93.1 | Very high | 92.8 | Very high | 23 Ų | 23 | 41.7 Ų | 41.7 | 11% | 0.113 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -58.2 | -35.8 | 171.3 | -76.1 | 177 | 53.7 | 0 | 0 | 112.5 | A63 L67 D68 I466 R474 | A63-M470 HydrophobicContact CB-CB 4.49Å; A63-M470 HydrophobicContact CB-CG 4.48Å; L67-M470 HydrophobicContact CB-CG 3.77Å; L67-M470 HydrophobicContact CB-SD 3.88Å; L67-M470 HydrophobicContact CD1-CG 3.95Å; D68-M470 HydrophobicContact CB-CE 3.47Å; D68-M470 VanDerWaalsContact CB-CE 3.47Å; D68-M470 WeakPolarHBondContact OD2-CE 3.42Å; I466-M470 HydrophobicContact CG2-CG 3.88Å; I466-M470 HydrophobicContact CG2-SD 3.47Å; I466-M470 WeakPolarHBondContact CG2-SD 3.39Å; I466-M470 WeakPolarHBondContact O-CG 3.47Å; I466-M470 PolarHBondContact O-N 2.96Å; M470-R474 WeakPolarHBondContact O-CG 3.38Å; M470-R474 PolarHBondContact O-N 2.93Å |
| 471 | H | 90.6 | Very high | 92.7 | Very high | 64 Ų | 64 | 43.6 Ų | 43.6 | 30% | 0.296 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -64.3 | -50.6 | 173.4 | -159.6 | -90 | 0 | 0 | 0 | 111.6 | L111 E467 Y469 L473 R474 E475 | L111-H471 HydrophobicContact CD2-CB 4.3Å; E467-H471 PolarHBondContact O-N 2.69Å; Y469-H471 VanDerWaalsContact C-N 3.25Å; Y469-H471 PolarHBondContact O-N 3.26Å; H471-L473 VanDerWaalsContact C-N 3.25Å; H471-L473 PolarHBondContact O-N 3.5Å; H471-R474 PolarHBondContact O-N 3.21Å; H471-R474 VanDerWaalsContact O-N 3.08Å; H471-E475 IonicContact CE1-OE1 2.67Å; H471-E475 PolarHBondContact CE1-OE1 2.99Å; H471-E475 VanDerWaalsContact CE1-OE1 3.23Å; H471-E475 IonicContact CE1-OE2 3.27Å; H471-E475 PolarHBondContact CE1-OE2 2.86Å; H471-E475 VanDerWaalsContact CE1-OE2 3.25Å; H471-E475 IonicContact ND1-OE1 3.5Å; H471-E475 IonicContact ND1-OE2 3.77Å; H471-E475 PolarHBondContact ND1-OE2 2.93Å; H471-E475 PolarHBondContact O-N 2.87Å |
| 472 | R | 93.8 | Very high | 92.7 | Very high | 55 Ų | 55 | 43.5 Ų | 43.5 | 21% | 0.208 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.5 | -32.7 | 177.9 | -76.3 | 177.7 | -74 | 173.3 | -2.4 | 113.2 | D468 Y469 E476 S477 L480 | D468-R472 PolarHBondContact O-NE 3.06Å; Y469-R472 PolarHBondContact O-N 3.14Å; R472-E476 PolarHBondContact O-N 3.08Å; R472-S477 VanDerWaalsContact O-CB 3.25Å; R472-S477 WeakPolarHBondContact O-CB 3.45Å; R472-S477 PolarHBondContact O-N 3.33Å; R472-L480 HydrophobicContact CB-CD2 4.41Å |
| 473 | L | 96.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -67.1 | -45.8 | 171.9 | -78 | 174.8 | 0 | 0 | 0 | 112.3 | P59 I62 A63 L67 Y469 H471 E476 L480 V551 | P59-L473 CarbonylContact C-O 3.58Å; P59-L473 HydrophobicContact CB-CD2 3.9Å; P59-L473 VanDerWaalsContact CB-O 3.26Å; P59-L473 WeakPolarHBondContact CB-O 3.5Å; P59-L473 WeakPolarHBondContact O-CB 3.35Å; I62-L473 HydrophobicContact CB-CD1 4.28Å; I62-L473 HydrophobicContact CB-CD2 4.33Å; I62-L473 HydrophobicContact CG2-CD1 3.96Å; I62-L473 HydrophobicContact CG2-CD2 4.41Å; A63-L473 HydrophobicContact CB-CB 3.86Å; A63-L473 HydrophobicContact CB-CD1 4.11Å; L67-L473 HydrophobicContact CD1-CD1 3.6Å; Y469-L473 HydrophobicContact CD1-CD1 3.71Å; Y469-L473 HydrophobicContact CD1-CG 4.06Å; Y469-L473 HydrophobicContact CE1-CD1 3.59Å; Y469-L473 HydrophobicContact CE1-CD2 4.07Å; Y469-L473 HydrophobicContact CE1-CG 3.8Å; Y469-L473 WeakPolarHBondContact O-CG 3.48Å; Y469-L473 PolarHBondContact O-N 2.88Å; H471-L473 VanDerWaalsContact C-N 3.25Å; H471-L473 PolarHBondContact O-N 3.5Å; L473-E476 PolarHBondContact O-N 3.08Å; L473-L480 HydrophobicContact CD2-CD1 4.17Å; L473-L480 HydrophobicContact CD2-CD2 3.78Å; L473-L480 HydrophobicContact CG-CD2 4.22Å; L473-V551 HydrophobicContact CD2-CG1 3.59Å |
| 474 | R | 94.8 | Very high | 92.8 | Very high | 106 Ų | 106 | 43.9 Ų | 43.9 | 40% | 0.4 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -69.8 | -32 | 179.4 | -73.3 | 173.4 | 175.7 | 150.6 | 0.6 | 113.8 | A63 D64 D68 M470 H471 E476 | A63-R474 HydrophobicContact CB-CG 3.8Å; D64-R474 IonicContact OD1-CZ 2.85Å; D64-R474 IonicContact OD1-NE 4Å; D64-R474 PolarHBondContact OD1-NE 3.36Å; D64-R474 IonicContact OD1-NH2 3.99Å; D64-R474 PolarHBondContact OD1-NH2 2.78Å; D68-R474 IonicContact OD2-CZ 3.17Å; D68-R474 IonicContact OD2-NH1 2.7Å; D68-R474 IonicContact OD2-NH2 3.97Å; D68-R474 PolarHBondContact OD2-NH2 3.38Å; M470-R474 WeakPolarHBondContact O-CG 3.38Å; M470-R474 PolarHBondContact O-N 2.93Å; H471-R474 PolarHBondContact O-N 3.21Å; H471-R474 VanDerWaalsContact O-N 3.08Å; R474-E476 PolarHBondContact O-N 2.93Å |
| 475 | E | 95.1 | Very high | 93.2 | Very high | 121 Ų | 121 | 42 Ų | 42 | 57% | 0.565 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -0 | 172.9 | -68.5 | -177 | 125.1 | 0 | 0 | 113.7 | H471 S477 | H471-E475 IonicContact CE1-OE1 2.67Å; H471-E475 PolarHBondContact CE1-OE1 2.99Å; H471-E475 VanDerWaalsContact CE1-OE1 3.23Å; H471-E475 IonicContact CE1-OE2 3.27Å; H471-E475 PolarHBondContact CE1-OE2 2.86Å; H471-E475 VanDerWaalsContact CE1-OE2 3.25Å; H471-E475 IonicContact ND1-OE1 3.5Å; H471-E475 IonicContact ND1-OE2 3.77Å; H471-E475 PolarHBondContact ND1-OE2 2.93Å; H471-E475 PolarHBondContact O-N 2.87Å; E475-S477 PolarHBondContact O-N 3.2Å; E475-S477 VanDerWaalsContact O-N 3.12Å |
| 476 | E | 94.4 | Very high | 93.7 | Very high | 120 Ų | 120 | 41.8 Ų | 41.8 | 56% | 0.561 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49 | 38.2 | -172.2 | -54.5 | -161.9 | 94.8 | 0 | 0 | 112.4 | P59 P60 R472 L473 R474 G478 | P59-E476 HydrophobicContact CB-CG 4.39Å; P60-E476 HydrophobicContact CG-CG 3.82Å; R472-E476 PolarHBondContact O-N 3.08Å; L473-E476 PolarHBondContact O-N 3.08Å; R474-E476 PolarHBondContact O-N 2.93Å; E476-G478 PolarHBondContact O-N 3.23Å |
| 477 | S | 94.8 | Very high | 94 | Very high | 26 Ų | 26 | 40.7 Ų | 40.7 | 18% | 0.182 | 19% | 0.192 | C | C | . | . | trans | -59.5 | 130.6 | -166.2 | -174.8 | 0 | 0 | 0 | 0 | 111.7 | R472 E475 L479 L480 | R472-S477 VanDerWaalsContact O-CB 3.25Å; R472-S477 WeakPolarHBondContact O-CB 3.45Å; R472-S477 PolarHBondContact O-N 3.33Å; E475-S477 PolarHBondContact O-N 3.2Å; E475-S477 VanDerWaalsContact O-N 3.12Å; S477-L479 PolarHBondContact O-N 3.01Å; S477-L480 WeakPolarHBondContact O-CB 3.44Å; S477-L480 WeakPolarHBondContact O-CG 3.5Å; S477-L480 PolarHBondContact O-N 2.68Å | ||
| 478 | G | 92.8 | Very high | 94.4 | Very high | 28 Ų | 28 | 38.8 Ų | 38.8 | 29% | 0.289 | 18% | 0.183 | S | C | . | . | G | 310 helix | trans | -55.9 | -14.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | E476 L480 R481 H512 | E476-G478 PolarHBondContact O-N 3.23Å; G478-L480 PolarHBondContact O-N 2.86Å; G478-R481 WeakPolarHBondContact O-CG 3.42Å; G478-H512 WeakPolarHBondContact O-CB 3.38Å |
| 479 | L | 93.4 | Very high | 94.9 | Very high | 38 Ų | 38 | 35.9 Ų | 35.9 | 20% | 0.199 | 17% | 0.168 | C | C | . | . | G | 310 helix | trans | -64.3 | -21.2 | 170.2 | -71.8 | 169.5 | 0 | 0 | 0 | 114.1 | S477 R481 M482 H512 | S477-L479 PolarHBondContact O-N 3.01Å; L479-R481 VanDerWaalsContact C-N 3.31Å; L479-R481 PolarHBondContact O-N 3.29Å; L479-M482 VanDerWaalsContact O-CB 3.3Å; L479-M482 WeakPolarHBondContact O-CB 3.34Å; L479-M482 VanDerWaalsContact O-CG 3.29Å; L479-M482 WeakPolarHBondContact O-CG 3.48Å; L479-M482 PolarHBondContact O-N 3.38Å; L479-H512 HydrophobicContact CD2-CB 4.42Å; L479-H512 VanDerWaalsContact CD2-ND1 3.31Å; L479-H512 WeakPolarHBondContact CD2-ND1 3.47Å |
| 480 | L | 94.6 | Very high | 95.1 | Very high | 6 Ų | 6 | 35.8 Ų | 35.8 | 3% | 0.031 | 17% | 0.167 | C | C | . | . | G | 310 helix | trans | -60.6 | -38.8 | -179.2 | -66.4 | 170.4 | 0 | 0 | 0 | 112.2 | P59 Y469 R472 L473 S477 G478 M482 H483 V551 | P59-L480 HydrophobicContact CB-CD1 3.82Å; P59-L480 HydrophobicContact CG-CD1 4.08Å; Y469-L480 HydrophobicContact CE2-CD2 3.67Å; R472-L480 HydrophobicContact CB-CD2 4.41Å; L473-L480 HydrophobicContact CD2-CD1 4.17Å; L473-L480 HydrophobicContact CD2-CD2 3.78Å; L473-L480 HydrophobicContact CG-CD2 4.22Å; S477-L480 WeakPolarHBondContact O-CB 3.44Å; S477-L480 WeakPolarHBondContact O-CG 3.5Å; S477-L480 PolarHBondContact O-N 2.68Å; G478-L480 PolarHBondContact O-N 2.86Å; L480-M482 PolarHBondContact O-N 3.03Å; L480-H483 PolarHBondContact O-N 3.48Å; L480-V551 HydrophobicContact CB-CG2 4.06Å; L480-V551 HydrophobicContact CD2-CG1 4.46Å |
| 481 | R | 93.8 | Very high | 95.2 | Very high | 82 Ų | 82 | 34.9 Ų | 34.9 | 31% | 0.309 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -59.6 | -17.8 | 177.9 | 81.2 | -171.6 | 41.6 | 156.2 | -7.4 | 114.8 | G478 L479 H483 C484 Y485 H512 E547 | G478-R481 WeakPolarHBondContact O-CG 3.42Å; L479-R481 VanDerWaalsContact C-N 3.31Å; L479-R481 PolarHBondContact O-N 3.29Å; R481-H483 PolarHBondContact O-N 3.23Å; R481-C484 PolarHBondContact O-N 2.96Å; R481-Y485 HydrophobicContact CB-CD1 4.18Å; R481-Y485 HydrophobicContact CB-CE1 4.19Å; R481-Y485 HydrophobicContact CG-CD1 4.04Å; R481-Y485 HydrophobicContact CG-CE1 3.95Å; R481-Y485 HydrophobicContact CG-CG 4.43Å; R481-Y485 WeakPolarHBondContact O-CB 3.48Å; R481-Y485 WeakPolarHBondContact O-CD1 3.36Å; R481-Y485 PolarHBondContact O-N 3.14Å; R481-H512 PolarHBondContact NH1-O 3.02Å; R481-E547 WeakPolarHBondContact CA-OE1 3.42Å; R481-E547 HydrophobicContact CB-CG 4.27Å; R481-E547 VanDerWaalsContact CB-OE1 3.25Å; R481-E547 WeakPolarHBondContact CB-OE1 3.29Å; R481-E547 WeakPolarHBondContact CB-OE2 3.22Å; R481-E547 PolarHBondContact N-OE1 3.2Å |
| 482 | M | 94.2 | Very high | 95.5 | Very high | 12 Ų | 12 | 32.4 Ų | 32.4 | 6% | 0.059 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -59.9 | -31.4 | -176.5 | -68.9 | -51.8 | -44.7 | 0 | 0 | 113.1 | L293 L479 L480 R486 A511 H512 Y519 | L293-M482 HydrophobicContact CD1-CB 4.14Å; L293-M482 HydrophobicContact CD2-CG 4.47Å; L479-M482 VanDerWaalsContact O-CB 3.3Å; L479-M482 WeakPolarHBondContact O-CB 3.34Å; L479-M482 VanDerWaalsContact O-CG 3.29Å; L479-M482 WeakPolarHBondContact O-CG 3.48Å; L479-M482 PolarHBondContact O-N 3.38Å; L480-M482 PolarHBondContact O-N 3.03Å; M482-R486 PolarHBondContact O-N 3.08Å; M482-A511 HydrophobicContact CE-CB 3.5Å; M482-A511 VanDerWaalsContact CE-CB 3.5Å; M482-A511 HydrophobicContact SD-CB 3.58Å; M482-A511 VanDerWaalsContact SD-CB 3.58Å; M482-H512 HydrophobicContact SD-CB 4.2Å; M482-Y519 HydrophobicContact CE-CE2 3.77Å |
| 483 | H | 94.1 | Very high | 95.6 | Very high | 35 Ų | 35 | 29.8 Ų | 29.8 | 16% | 0.162 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -69.3 | -45.2 | 174.4 | -64.5 | -77.2 | 0 | 0 | 0 | 111.5 | I34 L480 R481 R486 A487 V550 F554 | I34-H483 HydrophobicContact CG2-CB 3.96Å; L480-H483 PolarHBondContact O-N 3.48Å; R481-H483 PolarHBondContact O-N 3.23Å; H483-R486 PolarHBondContact O-N 3.01Å; H483-A487 WeakPolarHBondContact O-CB 3.33Å; H483-A487 PolarHBondContact O-N 3.21Å; H483-V550 HydrophobicContact CB-CG1 3.83Å; H483-F554 AromaticContact CD2-CD1 3.91Å; H483-F554 AromaticContact CE1-CD1 3.68Å; H483-F554 AromaticContact CE1-CE1 3.47Å; H483-F554 VanDerWaalsContact CE1-CE1 3.47Å; H483-F554 WeakPolarHBondContact CE1-CE1 3.2Å; H483-F554 AromaticContact CE1-CZ 3.79Å; H483-F554 AromaticContact NE2-CD1 3.54Å; H483-F554 AromaticContact NE2-CE1 3.36Å; H483-F554 WeakPolarHBondContact NE2-CE1 3.23Å |
| 484 | C | 97.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63.2 | -42.1 | 174.7 | -169.8 | 0 | 0 | 0 | 0 | 111.4 | R481 A487 T488 E547 V550 | R481-C484 PolarHBondContact O-N 2.96Å; C484-A487 PolarHBondContact O-N 3.05Å; C484-T488 WeakPolarHBondContact O-CB 3.46Å; C484-T488 PolarHBondContact O-N 2.82Å; C484-T488 PolarHBondContact O-OG1 3.15Å; C484-E547 HydrophobicContact CB-CB 4.2Å; C484-E547 HydrophobicContact CB-CG 4.05Å; C484-V550 HydrophobicContact CB-CB 4.35Å; C484-V550 HydrophobicContact CB-CG2 4.09Å |
| 485 | Y | 97.1 | Very high | 95.5 | Very high | 22 Ų | 22 | 31.8 Ų | 31.8 | 9% | 0.086 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62.5 | -45.5 | 177.1 | -85.7 | 36.4 | 0 | 0 | 0 | 111.7 | R481 A487 L489 L514 F516 Y519 L544 | R481-Y485 HydrophobicContact CB-CD1 4.18Å; R481-Y485 HydrophobicContact CB-CE1 4.19Å; R481-Y485 HydrophobicContact CG-CD1 4.04Å; R481-Y485 HydrophobicContact CG-CE1 3.95Å; R481-Y485 HydrophobicContact CG-CG 4.43Å; R481-Y485 WeakPolarHBondContact O-CB 3.48Å; R481-Y485 WeakPolarHBondContact O-CD1 3.36Å; R481-Y485 PolarHBondContact O-N 3.14Å; Y485-A487 VanDerWaalsContact C-N 3.32Å; Y485-A487 PolarHBondContact O-N 2.96Å; Y485-L489 VanDerWaalsContact O-CB 3.27Å; Y485-L489 WeakPolarHBondContact O-CB 3.46Å; Y485-L489 PolarHBondContact O-N 3.18Å; Y485-L514 WeakPolarHBondContact CE2-O 3.26Å; Y485-L514 PolarHBondContact OH-O 3.31Å; Y485-F516 HydrophobicContact CD1-CD2 4.24Å; Y485-F516 HydrophobicContact CD2-CD2 4.19Å; Y485-F516 HydrophobicContact CE1-CB 4.32Å; Y485-F516 HydrophobicContact CE2-CB 4.21Å; Y485-F516 HydrophobicContact CG-CD2 4.02Å; Y485-F516 PolarHBondContact OH-N 3.39Å; Y485-Y519 AromaticContact CD2-CD1 3.75Å; Y485-Y519 HydrophobicContact CD2-CD1 3.75Å; Y485-Y519 HydrophobicContact CD2-CD2 4.19Å; Y485-Y519 HydrophobicContact CD2-CE1 4.32Å; Y485-Y519 AromaticContact CD2-CG 3.68Å; Y485-Y519 HydrophobicContact CD2-CG 3.68Å; Y485-Y519 HydrophobicContact CE2-CG 4.37Å; Y485-Y519 HydrophobicContact CG-CD1 4.26Å; Y485-L544 HydrophobicContact CD1-CD2 3.79Å; Y485-L544 HydrophobicContact CE1-CD2 3.79Å |
| 486 | R | 96.4 | Very high | 95.5 | Very high | 13 Ų | 13 | 28.2 Ų | 28.2 | 5% | 0.049 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -62.9 | -37.8 | 174.5 | -81.7 | -69 | -73.6 | 118.7 | -19.3 | 112.1 | I35 E291 M482 H483 L489 E490 P503 Y519 | I35-R486 HydrophobicContact CG2-CB 3.72Å; E291-R486 IonicContact OE1-CZ 2.78Å; E291-R486 IonicContact OE1-NE 3.23Å; E291-R486 PolarHBondContact OE1-NE 3.41Å; E291-R486 IonicContact OE1-NH2 3.2Å; E291-R486 PolarHBondContact OE1-NH2 2.75Å; E291-R486 IonicContact OE2-NE 2.68Å; E291-R486 IonicContact OE2-NH2 3.67Å; M482-R486 PolarHBondContact O-N 3.08Å; H483-R486 PolarHBondContact O-N 3.01Å; R486-L489 PolarHBondContact O-N 2.86Å; R486-E490 WeakPolarHBondContact O-CB 3.49Å; R486-E490 PolarHBondContact O-N 3.47Å; R486-P503 PolarHBondContact NH2-O 2.93Å; R486-P503 VanDerWaalsContact NH2-O 3.11Å; R486-Y519 WeakPolarHBondContact CD-OH 3.45Å; R486-Y519 WeakPolarHBondContact CG-OH 3.45Å |
| 487 | A | 97.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -73.3 | -40.7 | -179 | 0 | 0 | 0 | 0 | 0 | 113.8 | I34 I35 F37 F38 H483 C484 Y485 L489 E490 T491 | I34-A487 WeakPolarHBondContact O-CB 3.35Å; I35-A487 VanDerWaalsContact O-CA 3.23Å; I35-A487 WeakPolarHBondContact O-CA 3.39Å; F37-A487 HydrophobicContact CB-CB 4.14Å; F38-A487 HydrophobicContact CD2-CB 3.84Å; F38-A487 HydrophobicContact CE2-CB 3.88Å; H483-A487 WeakPolarHBondContact O-CB 3.33Å; H483-A487 PolarHBondContact O-N 3.21Å; C484-A487 PolarHBondContact O-N 3.05Å; Y485-A487 VanDerWaalsContact C-N 3.32Å; Y485-A487 PolarHBondContact O-N 2.96Å; A487-L489 VanDerWaalsContact C-N 3.31Å; A487-E490 PolarHBondContact O-N 3.31Å; A487-T491 WeakPolarHBondContact O-CB 3.26Å; A487-T491 PolarHBondContact O-N 3.26Å; A487-T491 VanDerWaalsContact O-N 3.09Å; A487-T491 PolarHBondContact O-OG1 3.01Å |
| 488 | T | 98.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62.9 | -40.8 | 171.9 | -53.1 | 0 | 0 | 0 | 0 | 110.4 | C484 T491 V492 F516 V540 M543 L544 | C484-T488 WeakPolarHBondContact O-CB 3.46Å; C484-T488 PolarHBondContact O-N 2.82Å; C484-T488 PolarHBondContact O-OG1 3.15Å; T488-T491 PolarHBondContact O-N 3.29Å; T488-V492 WeakPolarHBondContact O-CG2 3.36Å; T488-V492 PolarHBondContact O-N 3.21Å; T488-V492 VanDerWaalsContact O-N 3.07Å; T488-F516 HydrophobicContact CG2-CD1 4.45Å; T488-F516 HydrophobicContact CG2-CD2 4.4Å; T488-F516 HydrophobicContact CG2-CE1 3.79Å; T488-F516 HydrophobicContact CG2-CE2 3.75Å; T488-F516 HydrophobicContact CG2-CZ 3.4Å; T488-F516 VanDerWaalsContact CG2-CZ 3.4Å; T488-V540 HydrophobicContact CG2-CG1 4.15Å; T488-V540 HydrophobicContact CG2-CG2 4.25Å; T488-M543 HydrophobicContact CG2-CB 4.07Å; T488-M543 HydrophobicContact CG2-CE 3.87Å; T488-M543 HydrophobicContact CG2-SD 4.11Å; T488-L544 HydrophobicContact CG2-CD2 4.47Å |
| 489 | L | 97.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -67.9 | -42.5 | 176.9 | 179.5 | 59.8 | 0 | 0 | 0 | 112.7 | Y485 R486 A487 T491 V492 I493 V505 F516 Y519 A520 L524 | Y485-L489 VanDerWaalsContact O-CB 3.27Å; Y485-L489 WeakPolarHBondContact O-CB 3.46Å; Y485-L489 PolarHBondContact O-N 3.18Å; R486-L489 PolarHBondContact O-N 2.86Å; A487-L489 VanDerWaalsContact C-N 3.31Å; L489-T491 PolarHBondContact O-N 2.82Å; L489-V492 PolarHBondContact O-N 3.26Å; L489-I493 HydrophobicContact CD1-CD1 4.05Å; L489-I493 HydrophobicContact CD1-CG1 4.2Å; L489-I493 HydrophobicContact CG-CD1 3.81Å; L489-I493 HydrophobicContact CG-CG1 4.43Å; L489-I493 WeakPolarHBondContact O-CD1 3.09Å; L489-I493 VanDerWaalsContact O-CG1 3.23Å; L489-I493 WeakPolarHBondContact O-CG1 3.47Å; L489-I493 PolarHBondContact O-N 2.93Å; L489-V505 HydrophobicContact CD2-CG1 4.28Å; L489-F516 HydrophobicContact CB-CE2 4.25Å; L489-F516 HydrophobicContact CB-CZ 4.35Å; L489-Y519 HydrophobicContact CB-CE1 4.09Å; L489-Y519 HydrophobicContact CD2-CD1 4.4Å; L489-Y519 HydrophobicContact CD2-CE1 3.66Å; L489-Y519 HydrophobicContact CG-CE1 4.49Å; L489-A520 HydrophobicContact CD1-CB 4.2Å; L489-L524 HydrophobicContact CD1-CD2 3.96Å; L489-L524 HydrophobicContact CD1-CG 4.09Å |
| 490 | E | 96.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -55.9 | -41.6 | 173.2 | 179.9 | 67.2 | -157.4 | 0 | 0 | 111.6 | I35 R486 A487 I493 R494 R502 P503 | I35-E490 HydrophobicContact CB-CB 4.22Å; I35-E490 HydrophobicContact CB-CG 4.33Å; I35-E490 HydrophobicContact CG1-CG 4.24Å; I35-E490 WeakPolarHBondContact O-CB 3.13Å; I35-E490 VanDerWaalsContact O-CG 3.28Å; I35-E490 WeakPolarHBondContact O-CG 3.49Å; R486-E490 WeakPolarHBondContact O-CB 3.49Å; R486-E490 PolarHBondContact O-N 3.47Å; A487-E490 PolarHBondContact O-N 3.31Å; E490-I493 PolarHBondContact O-N 3.39Å; E490-R494 PolarHBondContact O-N 3.22Å; E490-R494 WeakPolarHBondContact OE1-CD 3.4Å; E490-R502 VanDerWaalsContact OE1-CA 3.31Å; E490-R502 WeakPolarHBondContact OE1-CA 3.38Å; E490-R502 PolarHBondContact OE1-N 3.49Å; E490-P503 WeakPolarHBondContact OE2-CD 3.44Å |
| 491 | T | 96.9 | Very high | 95.1 | Very high | 4 Ų | 4 | 39.2 Ų | 39.2 | 3% | 0.025 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -66.3 | -46.2 | 179.3 | -55 | 0 | 0 | 0 | 0 | 111.2 | A487 T488 L489 I493 R494 E495 M543 | A487-T491 WeakPolarHBondContact O-CB 3.26Å; A487-T491 PolarHBondContact O-N 3.26Å; A487-T491 VanDerWaalsContact O-N 3.09Å; A487-T491 PolarHBondContact O-OG1 3.01Å; T488-T491 PolarHBondContact O-N 3.29Å; L489-T491 PolarHBondContact O-N 2.82Å; T491-I493 VanDerWaalsContact C-N 3.33Å; T491-I493 PolarHBondContact O-N 3.38Å; T491-R494 PolarHBondContact O-N 3.39Å; T491-E495 VanDerWaalsContact CG2-OE1 3.27Å; T491-E495 WeakPolarHBondContact CG2-OE1 3.46Å; T491-E495 WeakPolarHBondContact O-CG 3.43Å; T491-E495 PolarHBondContact O-N 2.67Å; T491-E495 VanDerWaalsContact O-N 3.09Å; T491-M543 HydrophobicContact CG2-CE 4.05Å; T491-M543 HydrophobicContact CG2-SD 3.82Å |
| 492 | V | 96.9 | Very high | 94.9 | Very high | 12 Ų | 12 | 40 Ų | 40 | 7% | 0.073 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.4 | -40.9 | 172.7 | 169.2 | 0 | 0 | 0 | 0 | 112 | T488 L489 E495 A496 L524 L533 L535 V540 | T488-V492 WeakPolarHBondContact O-CG2 3.36Å; T488-V492 PolarHBondContact O-N 3.21Å; T488-V492 VanDerWaalsContact O-N 3.07Å; L489-V492 PolarHBondContact O-N 3.26Å; V492-E495 PolarHBondContact O-N 3.47Å; V492-A496 PolarHBondContact O-N 3.16Å; V492-A496 VanDerWaalsContact O-N 3.11Å; V492-L524 HydrophobicContact CG1-CD2 4.3Å; V492-L533 HydrophobicContact CG1-CD2 3.79Å; V492-L535 HydrophobicContact CG1-CD2 3.61Å; V492-L535 HydrophobicContact CG2-CD2 4.2Å; V492-V540 HydrophobicContact CG2-CG2 4.27Å |
| 493 | I | 95.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.4 | -48.3 | 178.5 | -68.8 | 163.2 | 0 | 0 | 0 | 110.9 | L489 E490 T491 E495 A496 K497 L500 P503 V505 L524 V527 L529 | L489-I493 HydrophobicContact CD1-CD1 4.05Å; L489-I493 HydrophobicContact CD1-CG1 4.2Å; L489-I493 HydrophobicContact CG-CD1 3.81Å; L489-I493 HydrophobicContact CG-CG1 4.43Å; L489-I493 WeakPolarHBondContact O-CD1 3.09Å; L489-I493 VanDerWaalsContact O-CG1 3.23Å; L489-I493 WeakPolarHBondContact O-CG1 3.47Å; L489-I493 PolarHBondContact O-N 2.93Å; E490-I493 PolarHBondContact O-N 3.39Å; T491-I493 VanDerWaalsContact C-N 3.33Å; T491-I493 PolarHBondContact O-N 3.38Å; I493-E495 PolarHBondContact O-N 2.63Å; I493-A496 PolarHBondContact O-N 3.41Å; I493-K497 PolarHBondContact O-N 3.13Å; I493-L500 HydrophobicContact CG2-CB 3.77Å; I493-L500 HydrophobicContact CG2-CD1 4.12Å; I493-P503 HydrophobicContact CD1-CG 4.28Å; I493-P503 HydrophobicContact CG2-CG 4.05Å; I493-V505 HydrophobicContact CD1-CG2 4.25Å; I493-L524 HydrophobicContact CG1-CD2 3.87Å; I493-V527 HydrophobicContact CD1-CG1 4.32Å; I493-V527 HydrophobicContact CD1-CG2 3.94Å; I493-V527 HydrophobicContact CG1-CG2 4.07Å; I493-V527 HydrophobicContact CG2-CG2 4.28Å; I493-L529 HydrophobicContact CB-CD1 4.29Å; I493-L529 HydrophobicContact CG1-CD1 4.09Å; I493-L529 HydrophobicContact CG2-CD1 4.04Å |
| 494 | R | 95 | Very high | 94.2 | Very high | 53 Ų | 53 | 41.6 Ų | 41.6 | 20% | 0.2 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66.7 | -19.8 | 179.6 | -74.9 | 178.8 | 62.7 | 179.4 | -9.3 | 113.3 | E36 E40 E490 T491 P498 L500 | E36-R494 IonicContact OE1-NH1 3.77Å; E36-R494 PolarHBondContact OE1-NH1 2.82Å; E40-R494 IonicContact OE1-CZ 3.75Å; E40-R494 IonicContact OE1-NH1 3.28Å; E40-R494 PolarHBondContact OE1-NH1 3.46Å; E40-R494 IonicContact OE1-NH2 3.47Å; E40-R494 PolarHBondContact OE1-NH2 3.43Å; E490-R494 PolarHBondContact O-N 3.22Å; E490-R494 WeakPolarHBondContact OE1-CD 3.4Å; T491-R494 PolarHBondContact O-N 3.39Å; R494-P498 WeakPolarHBondContact O-CA 3.36Å; R494-P498 WeakPolarHBondContact O-CG 3.03Å; R494-L500 WeakPolarHBondContact CG-O 3.48Å |
| 495 | E | 93.8 | Very high | 93.7 | Very high | 95 Ų | 95 | 42 Ų | 42 | 44% | 0.444 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -82.3 | -40.8 | 172.9 | -75.5 | 166.6 | -157 | 0 | 0 | 112.7 | T491 V492 I493 K497 R539 | T491-E495 VanDerWaalsContact CG2-OE1 3.27Å; T491-E495 WeakPolarHBondContact CG2-OE1 3.46Å; T491-E495 WeakPolarHBondContact O-CG 3.43Å; T491-E495 PolarHBondContact O-N 2.67Å; T491-E495 VanDerWaalsContact O-N 3.09Å; V492-E495 PolarHBondContact O-N 3.47Å; I493-E495 PolarHBondContact O-N 2.63Å; E495-K497 VanDerWaalsContact C-N 3.34Å; E495-R539 IonicContact OE1-CZ 2.85Å; E495-R539 IonicContact OE1-NH1 2.99Å; E495-R539 PolarHBondContact OE1-NH1 2.86Å; E495-R539 IonicContact OE1-NH2 2.66Å; E495-R539 PolarHBondContact OE1-NH2 2.73Å; E495-R539 IonicContact OE2-CZ 3.08Å; E495-R539 IonicContact OE2-NH1 3.67Å; E495-R539 PolarHBondContact OE2-NH1 3.06Å; E495-R539 IonicContact OE2-NH2 2.68Å |
| 496 | A | 94.5 | Very high | 93.2 | Very high | 47 Ų | 47 | 48 Ų | 48 | 39% | 0.388 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -72.2 | -28.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113 | V492 I493 L529 L533 | V492-A496 PolarHBondContact O-N 3.16Å; V492-A496 VanDerWaalsContact O-N 3.11Å; I493-A496 PolarHBondContact O-N 3.41Å; A496-L529 HydrophobicContact CB-CD1 4.04Å; A496-L529 HydrophobicContact CB-CD2 4.3Å; A496-L533 HydrophobicContact CB-CD1 4.11Å; A496-L533 HydrophobicContact CB-CD2 3.81Å |
| 497 | K | 94.9 | Very high | 92.7 | Very high | 72 Ų | 72 | 51.8 Ų | 51.8 | 31% | 0.313 | 28% | 0.283 | S | S | . | . | trans | -155.7 | 83.7 | -173.8 | -164.9 | 164.2 | 174.7 | -174.9 | 0 | 111.8 | I493 E495 E499 L500 L529 | I493-K497 PolarHBondContact O-N 3.13Å; E495-K497 VanDerWaalsContact C-N 3.34Å; K497-E499 WeakPolarHBondContact CE-OE1 3.43Å; K497-E499 HydrophobicContact CG-CG 4.33Å; K497-E499 VanDerWaalsContact CG-OE1 3.29Å; K497-E499 WeakPolarHBondContact CG-OE1 3.39Å; K497-E499 WeakPolarHBondContact CG-OE2 3.41Å; K497-E499 PolarHBondContact O-N 2.66Å; K497-E499 VanDerWaalsContact O-N 3.08Å; K497-L500 HydrophobicContact CB-CD1 4.27Å; K497-L500 HydrophobicContact CB-CG 4.32Å; K497-L500 HydrophobicContact CD-CD1 3.69Å; K497-L500 HydrophobicContact CD-CG 3.84Å; K497-L500 HydrophobicContact CG-CD1 4.14Å; K497-L500 HydrophobicContact CG-CG 3.92Å; K497-L500 PolarHBondContact O-N 3.08Å; K497-L529 HydrophobicContact CB-CD2 4.26Å; K497-L529 HydrophobicContact CD-CD2 4.3Å | ||
| 498 | P | 92.4 | Very high | 92.4 | Very high | 98 Ų | 98 | 52.8 Ų | 52.8 | 64% | 0.636 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -24.2 | -169.9 | -27.9 | 35.8 | 0 | 0 | 0 | 116.6 | R494 L500 | R494-P498 WeakPolarHBondContact O-CA 3.36Å; R494-P498 WeakPolarHBondContact O-CG 3.03Å; P498-L500 VanDerWaalsContact C-N 3.33Å |
| 499 | E | 92.4 | Very high | 92 | Very high | 135 Ų | 135 | 62.1 Ų | 62.1 | 63% | 0.631 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | -18.6 | 176 | 74.8 | -83.7 | -156.2 | 0 | 0 | 113.6 | K497 R501 | K497-E499 WeakPolarHBondContact CE-OE1 3.43Å; K497-E499 HydrophobicContact CG-CG 4.33Å; K497-E499 VanDerWaalsContact CG-OE1 3.29Å; K497-E499 WeakPolarHBondContact CG-OE1 3.39Å; K497-E499 WeakPolarHBondContact CG-OE2 3.41Å; K497-E499 PolarHBondContact O-N 2.66Å; K497-E499 VanDerWaalsContact O-N 3.08Å; E499-R501 VanDerWaalsContact C-N 3.26Å; E499-R501 PolarHBondContact O-N 2.68Å |
| 500 | L | 90.4 | Very high | 91.7 | Very high | 40 Ų | 40 | 69.5 Ų | 69.5 | 21% | 0.209 | 36% | 0.361 | C | S | . | . | trans | -80.5 | 71.5 | 172.8 | -69.8 | -172.2 | 0 | 0 | 0 | 111.1 | I493 R494 K497 P498 P503 V527 | I493-L500 HydrophobicContact CG2-CB 3.77Å; I493-L500 HydrophobicContact CG2-CD1 4.12Å; R494-L500 WeakPolarHBondContact CG-O 3.48Å; K497-L500 HydrophobicContact CB-CD1 4.27Å; K497-L500 HydrophobicContact CB-CG 4.32Å; K497-L500 HydrophobicContact CD-CD1 3.69Å; K497-L500 HydrophobicContact CD-CG 3.84Å; K497-L500 HydrophobicContact CG-CD1 4.14Å; K497-L500 HydrophobicContact CG-CG 3.92Å; K497-L500 PolarHBondContact O-N 3.08Å; P498-L500 VanDerWaalsContact C-N 3.33Å; L500-P503 HydrophobicContact CB-CG 4.4Å; L500-P503 WeakPolarHBondContact O-CD 3.37Å; L500-V527 HydrophobicContact CD1-CB 4.18Å; L500-V527 HydrophobicContact CD1-CG2 4.32Å; L500-V527 WeakPolarHBondContact CD1-O 3.44Å | ||
| 501 | R | 91.2 | Very high | 91.4 | Very high | 104 Ų | 104 | 69.6 Ų | 69.6 | 39% | 0.392 | 36% | 0.362 | S | S | . | . | trans | -86.9 | 123 | 171.3 | -175.9 | 173.3 | -176.9 | 158.1 | 11.2 | 111.2 | E36 E40 E499 P503 | E36-R501 IonicContact OE1-CZ 2.88Å; E36-R501 IonicContact OE1-NE 3.63Å; E36-R501 PolarHBondContact OE1-NE 3.28Å; E36-R501 IonicContact OE1-NH2 3.22Å; E36-R501 PolarHBondContact OE1-NH2 3.05Å; E36-R501 IonicContact OE2-NE 2.69Å; E36-R501 IonicContact OE2-NH2 3.9Å; E36-R501 PolarHBondContact OE2-NH2 3.38Å; E40-R501 IonicContact OE1-CZ 3.78Å; E40-R501 IonicContact OE1-NH1 2.82Å; E40-R501 IonicContact OE1-NH2 3.62Å; E40-R501 PolarHBondContact OE1-NH2 3.43Å; E40-R501 IonicContact OE2-CZ 2.72Å; E40-R501 IonicContact OE2-NH1 3.62Å; E40-R501 IonicContact OE2-NH2 3.26Å; E40-R501 PolarHBondContact OE2-NH2 2.93Å; E499-R501 VanDerWaalsContact C-N 3.26Å; E499-R501 PolarHBondContact O-N 2.68Å; R501-P503 VanDerWaalsContact C-CD 3.47Å | ||
| 502 | R | 90.8 | Very high | 91.1 | Very high | 97 Ų | 97 | 71.9 Ų | 71.9 | 37% | 0.366 | 37% | 0.372 | S | S | . | . | S | Bend | trans | 54.3 | 45.5 | -179.9 | -58.1 | 176.5 | -72.5 | -121.9 | 2.9 | 115.1 | I35 E36 E490 | I35-R502 HydrophobicContact CD1-CB 4.03Å; I35-R502 HydrophobicContact CD1-CG 4Å; I35-R502 HydrophobicContact CG1-CG 4.34Å; E36-R502 HydrophobicContact CG-CG 3.91Å; E36-R502 IonicContact OE1-CZ 2.85Å; E36-R502 IonicContact OE1-NH1 2.8Å; E36-R502 WeakPolarHBondContact OE2-CD 3.26Å; E36-R502 IonicContact OE2-CZ 3.83Å; E36-R502 IonicContact OE2-NE 2.72Å; E36-R502 IonicContact OE2-NH1 3.43Å; E36-R502 PolarHBondContact OE2-NH1 2.89Å; E490-R502 VanDerWaalsContact OE1-CA 3.31Å; E490-R502 WeakPolarHBondContact OE1-CA 3.38Å; E490-R502 PolarHBondContact OE1-N 3.49Å |
| 503 | P | 88.4 | Confident | 91 | Very high | 21 Ų | 21 | 77 Ų | 77 | 14% | 0.136 | 40% | 0.398 | C | S | . | . | trans | -63.3 | 140.6 | 175.2 | 29.4 | -36.1 | 0 | 0 | 0 | 111.4 | R486 E490 I493 L500 R501 V505 V527 | R486-P503 PolarHBondContact NH2-O 2.93Å; R486-P503 VanDerWaalsContact NH2-O 3.11Å; E490-P503 WeakPolarHBondContact OE2-CD 3.44Å; I493-P503 HydrophobicContact CD1-CG 4.28Å; I493-P503 HydrophobicContact CG2-CG 4.05Å; L500-P503 HydrophobicContact CB-CG 4.4Å; L500-P503 WeakPolarHBondContact O-CD 3.37Å; R501-P503 VanDerWaalsContact C-CD 3.47Å; P503-V505 PolarHBondContact O-N 3.26Å; P503-V527 HydrophobicContact CB-CB 4.34Å; P503-V527 HydrophobicContact CB-CG1 3.7Å; P503-V527 HydrophobicContact CG-CB 4.46Å; P503-V527 HydrophobicContact CG-CG1 3.85Å | ||
| 504 | G | 85 | Confident | 91 | Very high | 61 Ų | 61 | 79 Ų | 79 | 63% | 0.629 | 41% | 0.409 | S | S | * | . | trans | -71.2 | 96 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q506 | G504-Q506 PolarHBondContact O-N 3.12Š| ||
| 505 | V | 86.3 | Confident | 91 | Very high | 7 Ų | 7 | 80.2 Ų | 80.2 | 4% | 0.042 | 42% | 0.424 | C | S | . | . | trans | -85.4 | 103.3 | 176.9 | -175.7 | 0 | 0 | 0 | 0 | 108.2 | L489 I493 P503 R526 V527 | L489-V505 HydrophobicContact CD2-CG1 4.28Å; I493-V505 HydrophobicContact CD1-CG2 4.25Å; P503-V505 PolarHBondContact O-N 3.26Å; V505-R526 HydrophobicContact CG1-CB 4.47Å; V505-V527 HydrophobicContact CG2-CG1 3.82Å | ||
| 506 | Q | 85.4 | Confident | 91.2 | Very high | 148 Ų | 148 | 76.1 Ų | 76.1 | 69% | 0.692 | 40% | 0.404 | S | S | * | . | P | Polyproline II helix | trans | -47.1 | 145.9 | 175.9 | -64.8 | 177.6 | -7.1 | 0 | 0 | 111.6 | G504 I508 R526 | G504-Q506 PolarHBondContact O-N 3.12Å; Q506-I508 PolarHBondContact O-N 3.25Å; Q506-R526 VanDerWaalsContact C-NH1 3.33Å; Q506-R526 PolarHBondContact O-NH1 3.01Å |
| 507 | A | 87.1 | Confident | 91.3 | Very high | 93 Ų | 93 | 78 Ų | 78 | 77% | 0.769 | 41% | 0.411 | S | S | * | . | P | Polyproline II helix | trans | -58.8 | 135.8 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | R526 | A507-R526 PolarHBondContact O-NH1 3.15Š|
| 508 | I | 91 | Very high | 91.3 | Very high | 21 Ų | 21 | 77.2 Ų | 77.2 | 11% | 0.108 | 41% | 0.409 | C | S | . | . | P | Polyproline II helix | trans | -96.3 | 120.7 | 173.9 | -68 | 162.7 | 0 | 0 | 0 | 108.4 | Q506 K510 A511 L514 Y519 L522 R526 | Q506-I508 PolarHBondContact O-N 3.25Å; I508-K510 PolarHBondContact O-N 3.05Å; I508-A511 HydrophobicContact CB-CB 3.99Å; I508-A511 HydrophobicContact CG2-CB 3.92Å; I508-A511 WeakPolarHBondContact O-CB 3.36Å; I508-A511 PolarHBondContact O-N 3.28Å; I508-L514 HydrophobicContact CG2-CD1 3.9Å; I508-Y519 HydrophobicContact CB-CD2 4.33Å; I508-Y519 HydrophobicContact CB-CE2 4.17Å; I508-Y519 HydrophobicContact CD1-CD2 3.67Å; I508-Y519 HydrophobicContact CD1-CE2 3.54Å; I508-Y519 HydrophobicContact CD1-CG 4.49Å; I508-Y519 WeakPolarHBondContact CD1-O 3.28Å; I508-Y519 HydrophobicContact CG1-CE2 4.35Å; I508-Y519 HydrophobicContact CG2-CD2 4.39Å; I508-L522 HydrophobicContact CD1-CB 3.95Å; I508-L522 HydrophobicContact CG1-CB 4.38Å; I508-L522 HydrophobicContact CG2-CB 4.49Å; I508-L522 HydrophobicContact CG2-CD1 4.1Å; I508-R526 VanDerWaalsContact CG1-CZ 3.45Å |
| 509 | K | 90.6 | Very high | 91.5 | Very high | 197 Ų | 197 | 72.9 Ų | 72.9 | 86% | 0.857 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | 133 | -178.2 | -67.5 | -176.9 | 179.6 | 178.3 | 0 | 110.4 | A511 | K509-A511 PolarHBondContact O-N 2.98Å; K509-A511 VanDerWaalsContact O-N 3.13Å |
| 510 | K | 90 | Very high | 91.8 | Very high | 155 Ų | 155 | 66.5 Ų | 66.5 | 67% | 0.674 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.1 | 26.3 | -179.6 | -61 | -174.6 | 175.3 | -174.8 | 0 | 115 | I508 H512 L513 | I508-K510 PolarHBondContact O-N 3.05Å; K510-H512 PolarHBondContact O-N 3.28Å; K510-L513 HydrophobicContact CB-CD1 4.16Å; K510-L513 HydrophobicContact CB-CG 4.47Å; K510-L513 HydrophobicContact CD-CD1 4.15Å; K510-L513 WeakPolarHBondContact O-CB 3.47Å; K510-L513 PolarHBondContact O-N 2.91Å |
| 511 | A | 90.4 | Very high | 92.1 | Very high | 2 Ų | 2 | 70 Ų | 70 | 2% | 0.017 | 36% | 0.361 | C | S | . | . | G | 310 helix | trans | -52.6 | -28.7 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | M482 I508 K509 L513 L514 Y519 | M482-A511 HydrophobicContact CE-CB 3.5Å; M482-A511 VanDerWaalsContact CE-CB 3.5Å; M482-A511 HydrophobicContact SD-CB 3.58Å; M482-A511 VanDerWaalsContact SD-CB 3.58Å; I508-A511 HydrophobicContact CB-CB 3.99Å; I508-A511 HydrophobicContact CG2-CB 3.92Å; I508-A511 WeakPolarHBondContact O-CB 3.36Å; I508-A511 PolarHBondContact O-N 3.28Å; K509-A511 PolarHBondContact O-N 2.98Å; K509-A511 VanDerWaalsContact O-N 3.13Å; A511-L513 PolarHBondContact O-N 3.49Å; A511-L514 WeakPolarHBondContact O-CB 3.36Å; A511-L514 PolarHBondContact O-N 2.84Å; A511-L514 VanDerWaalsContact O-N 3.08Å; A511-Y519 HydrophobicContact CB-CD2 3.66Å; A511-Y519 HydrophobicContact CB-CE2 3.79Å |
| 512 | H | 91.5 | Very high | 92.3 | Very high | 51 Ų | 51 | 67.8 Ų | 67.8 | 24% | 0.236 | 36% | 0.356 | C | S | . | . | G | 310 helix | trans | -63.6 | -21.1 | 175.8 | 56 | -91.3 | 0 | 0 | 0 | 114.2 | G478 L479 R481 M482 K510 | G478-H512 WeakPolarHBondContact O-CB 3.38Å; L479-H512 HydrophobicContact CD2-CB 4.42Å; L479-H512 VanDerWaalsContact CD2-ND1 3.31Å; L479-H512 WeakPolarHBondContact CD2-ND1 3.47Å; R481-H512 PolarHBondContact NH1-O 3.02Å; M482-H512 HydrophobicContact SD-CB 4.2Å; K510-H512 PolarHBondContact O-N 3.28Å |
| 513 | L | 94.4 | Very high | 92.6 | Very high | 120 Ų | 120 | 63.1 Ų | 63.1 | 63% | 0.628 | 34% | 0.339 | S | S | * | . | G | 310 helix | trans | -89.1 | -7.2 | 175.3 | -54.6 | -178.4 | 0 | 0 | 0 | 113.2 | K510 A511 | K510-L513 HydrophobicContact CB-CD1 4.16Å; K510-L513 HydrophobicContact CB-CG 4.47Å; K510-L513 HydrophobicContact CD-CD1 4.15Å; K510-L513 WeakPolarHBondContact O-CB 3.47Å; K510-L513 PolarHBondContact O-N 2.91Å; A511-L513 PolarHBondContact O-N 3.49Å |
| 514 | L | 95.4 | Very high | 93 | Very high | 41 Ų | 41 | 62.2 Ų | 62.2 | 22% | 0.215 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -91.9 | 145.2 | -178.1 | -57.2 | 179.2 | 0 | 0 | 0 | 110.6 | Y485 I508 A511 E518 L522 | Y485-L514 WeakPolarHBondContact CE2-O 3.26Å; Y485-L514 PolarHBondContact OH-O 3.31Å; I508-L514 HydrophobicContact CG2-CD1 3.9Å; A511-L514 WeakPolarHBondContact O-CB 3.36Å; A511-L514 PolarHBondContact O-N 2.84Å; A511-L514 VanDerWaalsContact O-N 3.08Å; L514-E518 HydrophobicContact CB-CB 4.5Å; L514-E518 HydrophobicContact CB-CG 4.49Å; L514-E518 HydrophobicContact CD1-CG 4.28Å; L514-E518 HydrophobicContact CD2-CG 4.11Å; L514-L522 HydrophobicContact CD1-CD1 3.81Å |
| 515 | P | 95.8 | Very high | 93.5 | Very high | 80 Ų | 80 | 62.5 Ų | 62.5 | 52% | 0.519 | 32% | 0.323 | S | S | . | . | trans | -58.6 | 149 | 158.5 | -20.3 | 32.9 | 0 | 0 | 0 | 110.6 | T517 E518 Y519 | P515-T517 PolarHBondContact O-N 3.36Å; P515-E518 PolarHBondContact O-N 3.07Å; P515-E518 VanDerWaalsContact O-N 3.14Å; P515-Y519 PolarHBondContact O-N 3.27Å | ||
| 516 | F | 96.9 | Very high | 93.9 | Very high | 8 Ų | 8 | 66.7 Ų | 66.7 | 4% | 0.035 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -57.3 | -33.9 | -179.9 | 176.5 | -94.9 | 0 | 0 | 0 | 113.4 | Y485 T488 L489 Y519 A520 L535 V540 L544 | Y485-F516 HydrophobicContact CD1-CD2 4.24Å; Y485-F516 HydrophobicContact CD2-CD2 4.19Å; Y485-F516 HydrophobicContact CE1-CB 4.32Å; Y485-F516 HydrophobicContact CE2-CB 4.21Å; Y485-F516 HydrophobicContact CG-CD2 4.02Å; Y485-F516 PolarHBondContact OH-N 3.39Å; T488-F516 HydrophobicContact CG2-CD1 4.45Å; T488-F516 HydrophobicContact CG2-CD2 4.4Å; T488-F516 HydrophobicContact CG2-CE1 3.79Å; T488-F516 HydrophobicContact CG2-CE2 3.75Å; T488-F516 HydrophobicContact CG2-CZ 3.4Å; T488-F516 VanDerWaalsContact CG2-CZ 3.4Å; L489-F516 HydrophobicContact CB-CE2 4.25Å; L489-F516 HydrophobicContact CB-CZ 4.35Å; F516-Y519 HydrophobicContact CD2-CD1 4.01Å; F516-Y519 AromaticContact CE2-CD1 4Å; F516-Y519 HydrophobicContact CE2-CD1 4Å; F516-Y519 HydrophobicContact CE2-CE1 4.44Å; F516-Y519 WeakPolarHBondContact O-CB 3.19Å; F516-Y519 PolarHBondContact O-N 3.11Å; F516-A520 HydrophobicContact CE1-CB 4.1Å; F516-A520 HydrophobicContact CZ-CB 4.17Å; F516-A520 WeakPolarHBondContact O-CB 3.11Å; F516-A520 PolarHBondContact O-N 3.11Å; F516-L535 HydrophobicContact CE1-CD1 4.38Å; F516-V540 HydrophobicContact CD1-CG1 3.39Å; F516-V540 HydrophobicContact CE1-CG1 3.6Å; F516-V540 HydrophobicContact CE1-CG2 4.16Å; F516-V540 HydrophobicContact CG-CG1 4.3Å; F516-L544 HydrophobicContact CB-CD1 3.59Å; F516-L544 HydrophobicContact CB-CD2 4.32Å; F516-L544 HydrophobicContact CD1-CD1 4.24Å; F516-L544 HydrophobicContact CD2-CD2 4.08Å; F516-L544 HydrophobicContact CG-CD1 3.85Å; F516-L544 HydrophobicContact CG-CD2 4.21Å |
| 517 | T | 96.2 | Very high | 94.3 | Very high | 86 Ų | 86 | 60.8 Ų | 60.8 | 53% | 0.528 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -60.9 | -45.8 | 177.1 | 46.5 | 0 | 0 | 0 | 0 | 112.2 | P515 A520 R521 L535 | P515-T517 PolarHBondContact O-N 3.36Å; T517-A520 PolarHBondContact O-N 2.01Å; T517-R521 WeakPolarHBondContact O-CB 3.22Å; T517-R521 PolarHBondContact O-N 3.46Å; T517-L535 HydrophobicContact CG2-CD1 4.36Å |
| 518 | E | 96.6 | Very high | 94.7 | Very high | 57 Ų | 57 | 59.5 Ų | 59.5 | 27% | 0.266 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -69.1 | -38.2 | 175.6 | 178.7 | 58.8 | -163.8 | 0 | 0 | 111.5 | L514 P515 A520 R521 L522 | L514-E518 HydrophobicContact CB-CB 4.5Å; L514-E518 HydrophobicContact CB-CG 4.49Å; L514-E518 HydrophobicContact CD1-CG 4.28Å; L514-E518 HydrophobicContact CD2-CG 4.11Å; P515-E518 PolarHBondContact O-N 3.07Å; P515-E518 VanDerWaalsContact O-N 3.14Å; E518-A520 PolarHBondContact O-N 3.04Å; E518-R521 PolarHBondContact O-N 3.03Å; E518-R521 IonicContact OE1-CZ 3.66Å; E518-R521 IonicContact OE1-NE 3.89Å; E518-R521 IonicContact OE1-NH2 2.71Å; E518-R521 PolarHBondContact OE1-NH2 3.06Å; E518-R521 IonicContact OE2-CZ 3.25Å; E518-R521 IonicContact OE2-NE 3.51Å; E518-R521 PolarHBondContact OE2-NE 3.42Å; E518-R521 IonicContact OE2-NH2 3.99Å; E518-R521 PolarHBondContact OE2-NH2 3.25Å; E518-L522 HydrophobicContact CG-CD1 4.32Å; E518-L522 WeakPolarHBondContact O-CG 3.22Å; E518-L522 PolarHBondContact O-N 3.38Å |
| 519 | Y | 96.9 | Very high | 94.9 | Very high | 6 Ų | 6 | 59.4 Ų | 59.4 | 2% | 0.024 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -59.5 | -44.7 | 172.8 | 174 | -100.4 | 0 | 0 | 0 | 112.3 | M482 Y485 R486 L489 I508 A511 P515 F516 L522 G523 | M482-Y519 HydrophobicContact CE-CE2 3.77Å; Y485-Y519 AromaticContact CD2-CD1 3.75Å; Y485-Y519 HydrophobicContact CD2-CD1 3.75Å; Y485-Y519 HydrophobicContact CD2-CD2 4.19Å; Y485-Y519 HydrophobicContact CD2-CE1 4.32Å; Y485-Y519 AromaticContact CD2-CG 3.68Å; Y485-Y519 HydrophobicContact CD2-CG 3.68Å; Y485-Y519 HydrophobicContact CE2-CG 4.37Å; Y485-Y519 HydrophobicContact CG-CD1 4.26Å; R486-Y519 WeakPolarHBondContact CD-OH 3.45Å; R486-Y519 WeakPolarHBondContact CG-OH 3.45Å; L489-Y519 HydrophobicContact CB-CE1 4.09Å; L489-Y519 HydrophobicContact CD2-CD1 4.4Å; L489-Y519 HydrophobicContact CD2-CE1 3.66Å; L489-Y519 HydrophobicContact CG-CE1 4.49Å; I508-Y519 HydrophobicContact CB-CD2 4.33Å; I508-Y519 HydrophobicContact CB-CE2 4.17Å; I508-Y519 HydrophobicContact CD1-CD2 3.67Å; I508-Y519 HydrophobicContact CD1-CE2 3.54Å; I508-Y519 HydrophobicContact CD1-CG 4.49Å; I508-Y519 WeakPolarHBondContact CD1-O 3.28Å; I508-Y519 HydrophobicContact CG1-CE2 4.35Å; I508-Y519 HydrophobicContact CG2-CD2 4.39Å; A511-Y519 HydrophobicContact CB-CD2 3.66Å; A511-Y519 HydrophobicContact CB-CE2 3.79Å; P515-Y519 PolarHBondContact O-N 3.27Å; F516-Y519 HydrophobicContact CD2-CD1 4.01Å; F516-Y519 AromaticContact CE2-CD1 4Å; F516-Y519 HydrophobicContact CE2-CD1 4Å; F516-Y519 HydrophobicContact CE2-CE1 4.44Å; F516-Y519 WeakPolarHBondContact O-CB 3.19Å; F516-Y519 PolarHBondContact O-N 3.11Å; Y519-L522 PolarHBondContact O-N 3.12Å; Y519-G523 PolarHBondContact O-N 3.25Å |
| 520 | A | 97.1 | Very high | 95.2 | Very high | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.008 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -65.5 | -45.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | L489 F516 T517 E518 L522 G523 L524 L535 | L489-A520 HydrophobicContact CD1-CB 4.2Å; F516-A520 HydrophobicContact CE1-CB 4.1Å; F516-A520 HydrophobicContact CZ-CB 4.17Å; F516-A520 WeakPolarHBondContact O-CB 3.11Å; F516-A520 PolarHBondContact O-N 3.11Å; T517-A520 PolarHBondContact O-N 2.01Å; E518-A520 PolarHBondContact O-N 3.04Å; A520-L522 PolarHBondContact O-N 2.85Å; A520-G523 WeakPolarHBondContact O-CA 3.25Å; A520-G523 PolarHBondContact O-N 2.88Å; A520-L524 HydrophobicContact CB-CD1 4.42Å; A520-L524 WeakPolarHBondContact O-CG 3.45Å; A520-L524 PolarHBondContact O-N 3.06Å; A520-L535 HydrophobicContact CB-CD1 4.16Å |
| 521 | R | 96.9 | Very high | 95.5 | Very high | 115 Ų | 115 | 48.2 Ų | 48.2 | 43% | 0.434 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -55.7 | -35.6 | 175.9 | -166 | -173.7 | 73.4 | 80.8 | 3.8 | 112.9 | T517 E518 P525 P531 | T517-R521 WeakPolarHBondContact O-CB 3.22Å; T517-R521 PolarHBondContact O-N 3.46Å; E518-R521 PolarHBondContact O-N 3.03Å; E518-R521 IonicContact OE1-CZ 3.66Å; E518-R521 IonicContact OE1-NE 3.89Å; E518-R521 IonicContact OE1-NH2 2.71Å; E518-R521 PolarHBondContact OE1-NH2 3.06Å; E518-R521 IonicContact OE2-CZ 3.25Å; E518-R521 IonicContact OE2-NE 3.51Å; E518-R521 PolarHBondContact OE2-NE 3.42Å; E518-R521 IonicContact OE2-NH2 3.99Å; E518-R521 PolarHBondContact OE2-NH2 3.25Å; R521-P525 VanDerWaalsContact O-CD 3.23Å; R521-P525 WeakPolarHBondContact O-CD 3.38Å; R521-P531 WeakPolarHBondContact CA-O 3.46Å; R521-P531 HydrophobicContact CG-CB 3.8Å; R521-P531 WeakPolarHBondContact CG-O 3.47Å; R521-P531 WeakPolarHBondContact O-CB 3.23Å |
| 522 | L | 96.7 | Very high | 95.7 | Very high | 56 Ų | 56 | 54.4 Ų | 54.4 | 29% | 0.293 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -84.5 | -16.2 | 175.4 | -66 | 175.9 | 0 | 0 | 0 | 114 | I508 L514 E518 Y519 A520 R526 | I508-L522 HydrophobicContact CD1-CB 3.95Å; I508-L522 HydrophobicContact CG1-CB 4.38Å; I508-L522 HydrophobicContact CG2-CB 4.49Å; I508-L522 HydrophobicContact CG2-CD1 4.1Å; L514-L522 HydrophobicContact CD1-CD1 3.81Å; E518-L522 HydrophobicContact CG-CD1 4.32Å; E518-L522 WeakPolarHBondContact O-CG 3.22Å; E518-L522 PolarHBondContact O-N 3.38Å; Y519-L522 PolarHBondContact O-N 3.12Å; A520-L522 PolarHBondContact O-N 2.85Å; L522-R526 PolarHBondContact O-NE 3.29Å |
| 523 | G | 95.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -94.6 | -44.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114 | Y519 A520 R526 | Y519-G523 PolarHBondContact O-N 3.25Å; A520-G523 WeakPolarHBondContact O-CA 3.25Å; A520-G523 PolarHBondContact O-N 2.88Å; G523-R526 WeakPolarHBondContact O-CB 3.36Å; G523-R526 WeakPolarHBondContact O-CG 3.48Å; G523-R526 PolarHBondContact O-N 3.38Å |
| 524 | L | 96.5 | Very high | 95.9 | Very high | 2 Ų | 2 | 53.6 Ų | 53.6 | 1% | 0.01 | 31% | 0.308 | C | S | . | . | G | 310 helix | trans | -56.9 | -41.6 | -176.2 | -68.9 | 164.2 | 0 | 0 | 0 | 114 | L489 V492 I493 A520 R526 V527 G528 L529 P530 L533 | L489-L524 HydrophobicContact CD1-CD2 3.96Å; L489-L524 HydrophobicContact CD1-CG 4.09Å; V492-L524 HydrophobicContact CG1-CD2 4.3Å; I493-L524 HydrophobicContact CG1-CD2 3.87Å; A520-L524 HydrophobicContact CB-CD1 4.42Å; A520-L524 WeakPolarHBondContact O-CG 3.45Å; A520-L524 PolarHBondContact O-N 3.06Å; L524-R526 PolarHBondContact O-N 3.12Å; L524-R526 VanDerWaalsContact O-N 3.14Å; L524-V527 VanDerWaalsContact O-CG2 3.24Å; L524-V527 WeakPolarHBondContact O-CG2 3.48Å; L524-V527 PolarHBondContact O-N 2.71Å; L524-V527 VanDerWaalsContact O-N 3.08Å; L524-G528 PolarHBondContact O-N 2.93Å; L524-L529 CarbonylContact C-O 3.2Å; L524-L529 HydrophobicContact CB-CB 4.03Å; L524-L529 HydrophobicContact CD2-CB 4.05Å; L524-L529 HydrophobicContact CD2-CD1 3.86Å; L524-L529 PolarHBondContact O-N 3.1Å; L524-P530 WeakPolarHBondContact CB-O 3.16Å; L524-L533 HydrophobicContact CD1-CB 3.75Å; L524-L533 HydrophobicContact CD1-CD2 3.94Å; L524-L533 HydrophobicContact CD2-CD2 3.86Å |
| 525 | P | 96.4 | Very high | 95.9 | Very high | 67 Ų | 67 | 53.6 Ų | 53.6 | 44% | 0.435 | 31% | 0.308 | S | S | . | . | G | 310 helix | trans | -61.3 | -24.6 | 175.6 | -26.4 | 36.9 | 0 | 0 | 0 | 114 | R521 V527 G528 L529 P531 | R521-P525 VanDerWaalsContact O-CD 3.23Å; R521-P525 WeakPolarHBondContact O-CD 3.38Å; P525-V527 PolarHBondContact O-N 3.24Å; P525-G528 PolarHBondContact O-N 3.23Å; P525-L529 WeakPolarHBondContact CA-O 3.39Å; P525-P531 HydrophobicContact CG-CB 3.82Å; P525-P531 HydrophobicContact CG-CG 4.43Å |
| 526 | R | 94.9 | Very high | 95.8 | Very high | 94 Ų | 94 | 54 Ų | 54 | 36% | 0.355 | 31% | 0.306 | S | S | . | . | G | 310 helix | trans | -71.1 | -13.5 | 179.5 | -51.4 | 176.9 | -176.8 | -126.6 | -19 | 112.8 | V505 Q506 A507 I508 L522 G523 L524 | V505-R526 HydrophobicContact CG1-CB 4.47Å; Q506-R526 VanDerWaalsContact C-NH1 3.33Å; Q506-R526 PolarHBondContact O-NH1 3.01Å; A507-R526 PolarHBondContact O-NH1 3.15Å; I508-R526 VanDerWaalsContact CG1-CZ 3.45Å; L522-R526 PolarHBondContact O-NE 3.29Å; G523-R526 WeakPolarHBondContact O-CB 3.36Å; G523-R526 WeakPolarHBondContact O-CG 3.48Å; G523-R526 PolarHBondContact O-N 3.38Å; L524-R526 PolarHBondContact O-N 3.12Å; L524-R526 VanDerWaalsContact O-N 3.14Å |
| 527 | V | 93.8 | Very high | 95.7 | Very high | 24 Ų | 24 | 58.9 Ų | 58.9 | 15% | 0.145 | 34% | 0.337 | C | S | . | . | G | 310 helix | trans | -118.1 | 11.9 | 176.9 | -53.6 | 0 | 0 | 0 | 0 | 112.5 | I493 L500 P503 V505 L524 P525 L529 | I493-V527 HydrophobicContact CD1-CG1 4.32Å; I493-V527 HydrophobicContact CD1-CG2 3.94Å; I493-V527 HydrophobicContact CG1-CG2 4.07Å; I493-V527 HydrophobicContact CG2-CG2 4.28Å; L500-V527 HydrophobicContact CD1-CB 4.18Å; L500-V527 HydrophobicContact CD1-CG2 4.32Å; L500-V527 WeakPolarHBondContact CD1-O 3.44Å; P503-V527 HydrophobicContact CB-CB 4.34Å; P503-V527 HydrophobicContact CB-CG1 3.7Å; P503-V527 HydrophobicContact CG-CB 4.46Å; P503-V527 HydrophobicContact CG-CG1 3.85Å; V505-V527 HydrophobicContact CG2-CG1 3.82Å; L524-V527 VanDerWaalsContact O-CG2 3.24Å; L524-V527 WeakPolarHBondContact O-CG2 3.48Å; L524-V527 PolarHBondContact O-N 2.71Å; L524-V527 VanDerWaalsContact O-N 3.08Å; P525-V527 PolarHBondContact O-N 3.24Å; V527-L529 HydrophobicContact CG2-CB 4.26Å; V527-L529 HydrophobicContact CG2-CD1 3.99Å; V527-L529 HydrophobicContact CG2-CG 4.05Å |
| 528 | G | 94.6 | Very high | 95.7 | Very high | 66 Ų | 66 | 59.3 Ų | 59.3 | 68% | 0.68 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.6 | 24 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | L524 P525 | L524-G528 PolarHBondContact O-N 2.93Å; P525-G528 PolarHBondContact O-N 3.23Å |
| 529 | L | 95.9 | Very high | 95.6 | Very high | 20 Ų | 20 | 61.9 Ų | 61.9 | 11% | 0.105 | 35% | 0.349 | C | S | . | . | trans | -104.5 | 151.6 | 172.8 | -70.2 | 177.6 | 0 | 0 | 0 | 111.2 | I493 A496 K497 L524 P525 V527 | I493-L529 HydrophobicContact CB-CD1 4.29Å; I493-L529 HydrophobicContact CG1-CD1 4.09Å; I493-L529 HydrophobicContact CG2-CD1 4.04Å; A496-L529 HydrophobicContact CB-CD1 4.04Å; A496-L529 HydrophobicContact CB-CD2 4.3Å; K497-L529 HydrophobicContact CB-CD2 4.26Å; K497-L529 HydrophobicContact CD-CD2 4.3Å; L524-L529 CarbonylContact C-O 3.2Å; L524-L529 HydrophobicContact CB-CB 4.03Å; L524-L529 HydrophobicContact CD2-CB 4.05Å; L524-L529 HydrophobicContact CD2-CD1 3.86Å; L524-L529 PolarHBondContact O-N 3.1Å; P525-L529 WeakPolarHBondContact CA-O 3.39Å; V527-L529 HydrophobicContact CG2-CB 4.26Å; V527-L529 HydrophobicContact CG2-CD1 3.99Å; V527-L529 HydrophobicContact CG2-CG 4.05Å | ||
| 530 | P | 96.9 | Very high | 95.7 | Very high | 60 Ų | 60 | 62.2 Ų | 62.2 | 39% | 0.39 | 35% | 0.352 | S | S | . | . | trans | -63.4 | 142.6 | -179.4 | 24.3 | -32.2 | 0 | 0 | 0 | 111.7 | L524 D532 L533 | L524-P530 WeakPolarHBondContact CB-O 3.16Å; P530-D532 PolarHBondContact O-N 3.32Å; P530-L533 HydrophobicContact CG-CB 4.18Å; P530-L533 HydrophobicContact CG-CD1 4.19Å; P530-L533 WeakPolarHBondContact O-CB 3.45Å; P530-L533 PolarHBondContact O-N 2.81Å | ||
| 531 | P | 96.1 | Very high | 95.7 | Very high | 57 Ų | 57 | 63 Ų | 63 | 37% | 0.37 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -28.1 | 179.1 | 28 | -34.2 | 0 | 0 | 0 | 112.6 | R521 P525 | R521-P531 WeakPolarHBondContact CA-O 3.46Å; R521-P531 HydrophobicContact CG-CB 3.8Å; R521-P531 WeakPolarHBondContact CG-O 3.47Å; R521-P531 WeakPolarHBondContact O-CB 3.23Å; P525-P531 HydrophobicContact CG-CB 3.82Å; P525-P531 HydrophobicContact CG-CG 4.43Å |
| 532 | D | 94.7 | Very high | 95.8 | Very high | 131 Ų | 131 | 59.3 Ų | 59.3 | 70% | 0.701 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.5 | 17.4 | -177.5 | 58.2 | -44.5 | 0 | 0 | 0 | 113.3 | P530 | P530-D532 PolarHBondContact O-N 3.32Š|
| 533 | L | 95 | Very high | 95.8 | Very high | 33 Ų | 33 | 57.3 Ų | 57.3 | 17% | 0.173 | 34% | 0.344 | C | S | . | . | trans | -47.8 | 124.5 | 172.5 | -176 | 70.8 | 0 | 0 | 0 | 111 | V492 A496 L524 P530 L535 | V492-L533 HydrophobicContact CG1-CD2 3.79Å; A496-L533 HydrophobicContact CB-CD1 4.11Å; A496-L533 HydrophobicContact CB-CD2 3.81Å; L524-L533 HydrophobicContact CD1-CB 3.75Å; L524-L533 HydrophobicContact CD1-CD2 3.94Å; L524-L533 HydrophobicContact CD2-CD2 3.86Å; P530-L533 HydrophobicContact CG-CB 4.18Å; P530-L533 HydrophobicContact CG-CD1 4.19Å; P530-L533 WeakPolarHBondContact O-CB 3.45Å; P530-L533 PolarHBondContact O-N 2.81Å; L533-L535 PolarHBondContact O-N 2.9Å | ||
| 534 | P | 94.4 | Very high | 95.9 | Very high | 121 Ų | 121 | 59.2 Ų | 59.2 | 79% | 0.786 | 35% | 0.354 | S | S | * | . | trans | -58 | 125.9 | 178.4 | -27.4 | 36.1 | 0 | 0 | 0 | 112.3 | ||||
| 535 | L | 95.3 | Very high | 96 | Very high | 42 Ų | 42 | 68 Ų | 68 | 22% | 0.22 | 39% | 0.387 | C | S | . | . | trans | -105.8 | 129.9 | 178.6 | -56.2 | -178.7 | 0 | 0 | 0 | 110.2 | V492 F516 T517 A520 L533 T537 | V492-L535 HydrophobicContact CG1-CD2 3.61Å; V492-L535 HydrophobicContact CG2-CD2 4.2Å; F516-L535 HydrophobicContact CE1-CD1 4.38Å; T517-L535 HydrophobicContact CG2-CD1 4.36Å; A520-L535 HydrophobicContact CB-CD1 4.16Å; L533-L535 PolarHBondContact O-N 2.9Å; L535-T537 PolarHBondContact O-N 3.33Å | ||
| 536 | D | 94.9 | Very high | 96 | Very high | 87 Ų | 87 | 67.4 Ų | 67.4 | 47% | 0.465 | 38% | 0.378 | S | S | . | . | trans | -67 | 98 | 165.1 | 177.7 | -14.1 | 0 | 0 | 0 | 109 | C538 R539 V540 | D536-C538 VanDerWaalsContact C-N 3.25Å; D536-C538 PolarHBondContact O-N 3.13Å; D536-C538 WeakPolarHBondContact OD1-CA 3.08Å; D536-C538 WeakPolarHBondContact OD1-CB 3.46Å; D536-C538 PolarHBondContact OD1-N 3.27Å; D536-R539 HydrophobicContact CB-CB 4.1Å; D536-R539 PolarHBondContact O-N 3.11Å; D536-R539 PolarHBondContact OD1-N 3.47Å; D536-R539 WeakPolarHBondContact OD2-CB 3.38Å; D536-V540 WeakPolarHBondContact O-CB 3.4Å; D536-V540 VanDerWaalsContact O-CG2 3.24Å; D536-V540 WeakPolarHBondContact O-CG2 3.45Å; D536-V540 PolarHBondContact O-N 2.69Å | ||
| 537 | T | 94.2 | Very high | 96.1 | Very high | 111 Ų | 111 | 65.6 Ų | 65.6 | 68% | 0.681 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -66 | -26.7 | -177.5 | 55.9 | 0 | 0 | 0 | 0 | 112.9 | L535 G541 | L535-T537 PolarHBondContact O-N 3.33Å; T537-G541 PolarHBondContact O-N 2.82Å |
| 538 | C | 95.8 | Very high | 96.3 | Very high | 95 Ų | 95 | 66.2 Ų | 66.2 | 64% | 0.642 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -71.2 | -50.1 | 177.3 | -170.2 | 0 | 0 | 0 | 0 | 110.4 | D536 G541 A542 | D536-C538 VanDerWaalsContact C-N 3.25Å; D536-C538 PolarHBondContact O-N 3.13Å; D536-C538 WeakPolarHBondContact OD1-CA 3.08Å; D536-C538 WeakPolarHBondContact OD1-CB 3.46Å; D536-C538 PolarHBondContact OD1-N 3.27Å; C538-G541 PolarHBondContact O-N 3.21Å; C538-A542 PolarHBondContact O-N 3.46Å |
| 539 | R | 95.9 | Very high | 96.4 | Very high | 111 Ų | 111 | 67.3 Ų | 67.3 | 42% | 0.419 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -75.1 | -37.3 | -177.9 | -170.4 | 166.1 | 166.4 | -113.3 | -13 | 112.9 | E495 D536 G541 A542 M543 | E495-R539 IonicContact OE1-CZ 2.85Å; E495-R539 IonicContact OE1-NH1 2.99Å; E495-R539 PolarHBondContact OE1-NH1 2.86Å; E495-R539 IonicContact OE1-NH2 2.66Å; E495-R539 PolarHBondContact OE1-NH2 2.73Å; E495-R539 IonicContact OE2-CZ 3.08Å; E495-R539 IonicContact OE2-NH1 3.67Å; E495-R539 PolarHBondContact OE2-NH1 3.06Å; E495-R539 IonicContact OE2-NH2 2.68Å; D536-R539 HydrophobicContact CB-CB 4.1Å; D536-R539 PolarHBondContact O-N 3.11Å; D536-R539 PolarHBondContact OD1-N 3.47Å; D536-R539 WeakPolarHBondContact OD2-CB 3.38Å; R539-G541 VanDerWaalsContact C-N 3.33Å; R539-A542 WeakPolarHBondContact O-CB 3.44Å; R539-A542 PolarHBondContact O-N 3.2Å; R539-A542 VanDerWaalsContact O-N 3.17Å; R539-M543 HydrophobicContact CG-CE 4.43Å; R539-M543 PolarHBondContact O-N 2.84Å |
| 540 | V | 97.6 | Very high | 96.5 | Very high | 13 Ų | 13 | 66.3 Ų | 66.3 | 8% | 0.079 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -58.6 | -45.8 | 166.4 | 165.2 | 0 | 0 | 0 | 0 | 110.4 | T488 V492 F516 D536 A542 M543 L544 | T488-V540 HydrophobicContact CG2-CG1 4.15Å; T488-V540 HydrophobicContact CG2-CG2 4.25Å; V492-V540 HydrophobicContact CG2-CG2 4.27Å; F516-V540 HydrophobicContact CD1-CG1 3.39Å; F516-V540 HydrophobicContact CE1-CG1 3.6Å; F516-V540 HydrophobicContact CE1-CG2 4.16Å; F516-V540 HydrophobicContact CG-CG1 4.3Å; D536-V540 WeakPolarHBondContact O-CB 3.4Å; D536-V540 VanDerWaalsContact O-CG2 3.24Å; D536-V540 WeakPolarHBondContact O-CG2 3.45Å; D536-V540 PolarHBondContact O-N 2.69Å; V540-A542 VanDerWaalsContact C-N 3.29Å; V540-A542 PolarHBondContact O-N 3.02Å; V540-M543 HydrophobicContact CG2-CE 4.38Å; V540-M543 PolarHBondContact O-N 3.02Å; V540-L544 HydrophobicContact CG1-CD1 3.77Å; V540-L544 HydrophobicContact CG1-CG 4.37Å; V540-L544 VanDerWaalsContact O-CG 3.29Å; V540-L544 WeakPolarHBondContact O-CG 3.26Å; V540-L544 PolarHBondContact O-N 3.37Å |
| 541 | G | 97.8 | Very high | 96.6 | Very high | 18 Ų | 18 | 63.7 Ų | 63.7 | 19% | 0.186 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -60 | -36.9 | 174 | 0 | 0 | 0 | 0 | 0 | 113.2 | T537 C538 R539 R545 | T537-G541 PolarHBondContact O-N 2.82Å; C538-G541 PolarHBondContact O-N 3.21Å; R539-G541 VanDerWaalsContact C-N 3.33Å; G541-R545 WeakPolarHBondContact O-CG 3.25Å; G541-R545 PolarHBondContact O-N 2.89Å; G541-R545 VanDerWaalsContact O-N 3.12Å; G541-R545 PolarHBondContact O-NH1 2.86Å |
| 542 | A | 98 | Very high | 96.7 | Very high | 38 Ų | 38 | 61 Ų | 61 | 31% | 0.314 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -70.6 | -36 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | C538 R539 V540 | C538-A542 PolarHBondContact O-N 3.46Å; R539-A542 WeakPolarHBondContact O-CB 3.44Å; R539-A542 PolarHBondContact O-N 3.2Å; R539-A542 VanDerWaalsContact O-N 3.17Å; V540-A542 VanDerWaalsContact C-N 3.29Å; V540-A542 PolarHBondContact O-N 3.02Å |
| 543 | M | 98.3 | Very high | 96.9 | Very high | 14 Ų | 14 | 54.8 Ų | 54.8 | 7% | 0.069 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -66.2 | -49.2 | 171.5 | -74 | -170.9 | -88.3 | 0 | 0 | 111.2 | F38 T488 T491 R539 V540 R545 Q546 | F38-M543 HydrophobicContact CB-CG 4.37Å; F38-M543 HydrophobicContact CB-SD 3.82Å; F38-M543 HydrophobicContact CD1-CB 4.26Å; F38-M543 HydrophobicContact CD1-CG 3.84Å; F38-M543 HydrophobicContact CD1-SD 4.34Å; F38-M543 HydrophobicContact CD2-CB 4.13Å; F38-M543 HydrophobicContact CD2-CG 3.98Å; F38-M543 HydrophobicContact CD2-SD 3.65Å; F38-M543 HydrophobicContact CE1-CB 3.98Å; F38-M543 HydrophobicContact CE1-CG 4.07Å; F38-M543 HydrophobicContact CE2-CB 3.84Å; F38-M543 HydrophobicContact CE2-CG 4.21Å; F38-M543 HydrophobicContact CE2-SD 4.3Å; F38-M543 HydrophobicContact CG-CB 4.34Å; F38-M543 HydrophobicContact CG-CG 3.81Å; F38-M543 HydrophobicContact CG-SD 3.68Å; F38-M543 HydrophobicContact CZ-CB 3.77Å; F38-M543 HydrophobicContact CZ-CG 4.26Å; F38-M543 VanDerWaalsContact CZ-O 3.24Å; F38-M543 WeakPolarHBondContact CZ-O 3.38Å; T488-M543 HydrophobicContact CG2-CB 4.07Å; T488-M543 HydrophobicContact CG2-CE 3.87Å; T488-M543 HydrophobicContact CG2-SD 4.11Å; T491-M543 HydrophobicContact CG2-CE 4.05Å; T491-M543 HydrophobicContact CG2-SD 3.82Å; R539-M543 HydrophobicContact CG-CE 4.43Å; R539-M543 PolarHBondContact O-N 2.84Å; V540-M543 HydrophobicContact CG2-CE 4.38Å; V540-M543 PolarHBondContact O-N 3.02Å; M543-R545 VanDerWaalsContact C-N 3.29Å; M543-R545 PolarHBondContact O-N 3.39Å; M543-Q546 WeakPolarHBondContact O-CB 3.38Å; M543-Q546 PolarHBondContact O-N 3.39Å |
| 544 | L | 97.7 | Very high | 97 | Very high | 40 Ų | 40 | 54 Ų | 54 | 21% | 0.209 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.9 | -31 | -178 | -65.7 | 171.3 | 0 | 0 | 0 | 113.2 | Y485 T488 F516 V540 Q546 E547 | Y485-L544 HydrophobicContact CD1-CD2 3.79Å; Y485-L544 HydrophobicContact CE1-CD2 3.79Å; T488-L544 HydrophobicContact CG2-CD2 4.47Å; F516-L544 HydrophobicContact CB-CD1 3.59Å; F516-L544 HydrophobicContact CB-CD2 4.32Å; F516-L544 HydrophobicContact CD1-CD1 4.24Å; F516-L544 HydrophobicContact CD2-CD2 4.08Å; F516-L544 HydrophobicContact CG-CD1 3.85Å; F516-L544 HydrophobicContact CG-CD2 4.21Å; V540-L544 HydrophobicContact CG1-CD1 3.77Å; V540-L544 HydrophobicContact CG1-CG 4.37Å; V540-L544 VanDerWaalsContact O-CG 3.29Å; V540-L544 WeakPolarHBondContact O-CG 3.26Å; V540-L544 PolarHBondContact O-N 3.37Å; L544-Q546 PolarHBondContact O-N 3.38Å; L544-Q546 VanDerWaalsContact O-N 3.12Å; L544-E547 PolarHBondContact O-N 2.8Å |
| 545 | R | 97.3 | Very high | 97.2 | Very high | 186 Ų | 186 | 48.2 Ų | 48.2 | 70% | 0.702 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -10.3 | 171.3 | -78.1 | -172 | -60.3 | -88.9 | 6.4 | 114.3 | G541 M543 | G541-R545 WeakPolarHBondContact O-CG 3.25Å; G541-R545 PolarHBondContact O-N 2.89Å; G541-R545 VanDerWaalsContact O-N 3.12Å; G541-R545 PolarHBondContact O-NH1 2.86Å; M543-R545 VanDerWaalsContact C-N 3.29Å; M543-R545 PolarHBondContact O-N 3.39Å |
| 546 | Q | 97.3 | Very high | 97.3 | Very high | 55 Ų | 55 | 46.2 Ų | 46.2 | 26% | 0.257 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | 14.4 | 176.8 | -62.6 | -172.2 | 79.8 | 0 | 0 | 113.6 | F38 M543 L544 G548 R549 V550 | F38-Q546 HydrophobicContact CE1-CB 4.03Å; F38-Q546 HydrophobicContact CZ-CB 4.4Å; M543-Q546 WeakPolarHBondContact O-CB 3.38Å; M543-Q546 PolarHBondContact O-N 3.39Å; L544-Q546 PolarHBondContact O-N 3.38Å; L544-Q546 VanDerWaalsContact O-N 3.12Å; Q546-G548 VanDerWaalsContact C-N 3.26Å; Q546-G548 PolarHBondContact O-N 3.27Å; Q546-G548 VanDerWaalsContact O-N 3.13Å; Q546-R549 HydrophobicContact CB-CB 4.49Å; Q546-R549 WeakPolarHBondContact O-CB 3.34Å; Q546-R549 PolarHBondContact O-N 2.87Å; Q546-V550 PolarHBondContact O-N 3.14Å |
| 547 | E | 96.9 | Very high | 97.5 | Very high | 55 Ų | 55 | 42.9 Ų | 42.9 | 26% | 0.257 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -45.4 | -47.2 | 180 | -176 | 177.1 | 143.5 | 0 | 0 | 113.1 | R481 C484 L544 R549 V550 V551 | R481-E547 WeakPolarHBondContact CA-OE1 3.42Å; R481-E547 HydrophobicContact CB-CG 4.27Å; R481-E547 VanDerWaalsContact CB-OE1 3.25Å; R481-E547 WeakPolarHBondContact CB-OE1 3.29Å; R481-E547 WeakPolarHBondContact CB-OE2 3.22Å; R481-E547 PolarHBondContact N-OE1 3.2Å; C484-E547 HydrophobicContact CB-CB 4.2Å; C484-E547 HydrophobicContact CB-CG 4.05Å; L544-E547 PolarHBondContact O-N 2.8Å; E547-R549 VanDerWaalsContact C-N 3.32Å; E547-R549 PolarHBondContact O-N 3.22Å; E547-V550 WeakPolarHBondContact O-CB 3.31Å; E547-V550 PolarHBondContact O-N 2.75Å; E547-V550 VanDerWaalsContact O-N 3.11Å; E547-V551 HydrophobicContact CG-CG2 4.43Å; E547-V551 WeakPolarHBondContact O-CG2 3.42Å; E547-V551 PolarHBondContact O-N 2.96Å |
| 548 | G | 97.1 | Very high | 97.6 | Very high | 38 Ų | 38 | 37.8 Ų | 37.8 | 39% | 0.392 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -57.4 | -39.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q546 V550 V551 V552 | Q546-G548 VanDerWaalsContact C-N 3.26Å; Q546-G548 PolarHBondContact O-N 3.27Å; Q546-G548 VanDerWaalsContact O-N 3.13Å; G548-V550 PolarHBondContact O-N 2.74Å; G548-V551 PolarHBondContact O-N 3.17Å; G548-V552 VanDerWaalsContact O-CG2 3.28Å; G548-V552 WeakPolarHBondContact O-CG2 3.31Å; G548-V552 PolarHBondContact O-N 2.99Å |
| 549 | R | 98.2 | Very high | 97.6 | Very high | 88 Ų | 88 | 33.4 Ų | 33.4 | 33% | 0.332 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -65.6 | -37.9 | 176.7 | -64.2 | -179.6 | 176.6 | -175 | -8.5 | 112 | F37 W43 Q546 E547 V552 Y553 | F37-R549 HydrophobicContact CZ-CB 3.79Å; W43-R549 HydrophobicContact CD2-CB 4.03Å; W43-R549 HydrophobicContact CD2-CG 4.1Å; W43-R549 HydrophobicContact CE3-CB 3.62Å; W43-R549 HydrophobicContact CE3-CG 4.08Å; W43-R549 HydrophobicContact CH2-CB 4.22Å; W43-R549 HydrophobicContact CH2-CG 4Å; W43-R549 HydrophobicContact CZ2-CG 4.05Å; W43-R549 HydrophobicContact CZ3-CB 3.72Å; W43-R549 HydrophobicContact CZ3-CG 4.02Å; Q546-R549 HydrophobicContact CB-CB 4.49Å; Q546-R549 WeakPolarHBondContact O-CB 3.34Å; Q546-R549 PolarHBondContact O-N 2.87Å; E547-R549 VanDerWaalsContact C-N 3.32Å; E547-R549 PolarHBondContact O-N 3.22Å; R549-V552 PolarHBondContact O-N 3.44Å; R549-Y553 WeakPolarHBondContact O-CB 3.49Å; R549-Y553 PolarHBondContact O-N 3.09Å |
| 550 | V | 98.2 | Very high | 97.7 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -65.4 | -43.2 | 174.9 | -169.7 | 0 | 0 | 0 | 0 | 110.7 | I34 F37 F38 H483 C484 Q546 E547 G548 Y553 F554 | I34-V550 HydrophobicContact CG2-CG1 3.78Å; F37-V550 HydrophobicContact CD1-CG2 3.69Å; F37-V550 HydrophobicContact CD2-CG2 4.38Å; F37-V550 HydrophobicContact CE1-CG2 3.74Å; F37-V550 HydrophobicContact CE2-CG2 4.42Å; F37-V550 HydrophobicContact CG-CG1 4.44Å; F37-V550 HydrophobicContact CG-CG2 4.03Å; F37-V550 HydrophobicContact CZ-CG2 4.11Å; F38-V550 HydrophobicContact CE2-CG2 4.43Å; F38-V550 HydrophobicContact CZ-CG2 3.93Å; H483-V550 HydrophobicContact CB-CG1 3.83Å; C484-V550 HydrophobicContact CB-CB 4.35Å; C484-V550 HydrophobicContact CB-CG2 4.09Å; Q546-V550 PolarHBondContact O-N 3.14Å; E547-V550 WeakPolarHBondContact O-CB 3.31Å; E547-V550 PolarHBondContact O-N 2.75Å; E547-V550 VanDerWaalsContact O-N 3.11Å; G548-V550 PolarHBondContact O-N 2.74Å; V550-Y553 PolarHBondContact O-N 3.47Å; V550-F554 WeakPolarHBondContact O-CB 3.29Å; V550-F554 PolarHBondContact O-N 2.7Å |
| 551 | V | 97.9 | Very high | 97.6 | Very high | 4 Ų | 4 | 27.8 Ų | 27.8 | 2% | 0.024 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -62 | -45 | 176.7 | 170.1 | 0 | 0 | 0 | 0 | 111.2 | I62 L473 L480 E547 G548 S555 | I62-V551 HydrophobicContact CD1-CG1 3.73Å; L473-V551 HydrophobicContact CD2-CG1 3.59Å; L480-V551 HydrophobicContact CB-CG2 4.06Å; L480-V551 HydrophobicContact CD2-CG1 4.46Å; E547-V551 HydrophobicContact CG-CG2 4.43Å; E547-V551 WeakPolarHBondContact O-CG2 3.42Å; E547-V551 PolarHBondContact O-N 2.96Å; G548-V551 PolarHBondContact O-N 3.17Å; V551-S555 WeakPolarHBondContact O-CB 3.28Å; V551-S555 PolarHBondContact O-N 3.24Å; V551-S555 PolarHBondContact O-OG 3.45Å |
| 552 | V | 98.1 | Very high | 97.6 | Very high | 1 Ų | 1 | 27.6 Ų | 27.6 | 1% | 0.006 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -66.1 | -44.8 | 176.2 | 178.5 | 0 | 0 | 0 | 0 | 111.8 | W43 L54 I62 G548 R549 F554 S555 L556 | W43-V552 HydrophobicContact CZ3-CB 4.33Å; W43-V552 HydrophobicContact CZ3-CG1 4.45Å; L54-V552 HydrophobicContact CB-CG1 3.91Å; L54-V552 HydrophobicContact CD1-CG1 4.01Å; L54-V552 HydrophobicContact CD2-CG1 3.97Å; L54-V552 HydrophobicContact CG-CG1 4.18Å; I62-V552 HydrophobicContact CD1-CB 4.4Å; I62-V552 HydrophobicContact CD1-CG2 3.32Å; I62-V552 HydrophobicContact CG1-CG2 3.84Å; G548-V552 VanDerWaalsContact O-CG2 3.28Å; G548-V552 WeakPolarHBondContact O-CG2 3.31Å; G548-V552 PolarHBondContact O-N 2.99Å; R549-V552 PolarHBondContact O-N 3.44Å; V552-F554 PolarHBondContact O-N 3.18Å; V552-S555 WeakPolarHBondContact O-CA 3.42Å; V552-S555 VanDerWaalsContact O-CB 3.29Å; V552-S555 WeakPolarHBondContact O-CB 3.42Å; V552-S555 PolarHBondContact O-N 2.73Å; V552-L556 PolarHBondContact O-N 2.8Å |
| 553 | Y | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -64.6 | -41.7 | -179.8 | -165.9 | -79 | 0 | 0 | 0 | 111.8 | H28 S32 I34 F37 L42 T45 L46 R549 V550 S555 L556 A557 | H28-Y553 PolarHBondContact O-OH 2.94Å; S32-Y553 PolarHBondContact OG-OH 3.29Å; I34-Y553 HydrophobicContact CD1-CD1 3.8Å; I34-Y553 HydrophobicContact CD1-CE1 4.29Å; F37-Y553 HydrophobicContact CD2-CG 4.24Å; F37-Y553 HydrophobicContact CE2-CD2 4.4Å; F37-Y553 HydrophobicContact CE2-CG 4.08Å; L42-Y553 HydrophobicContact CB-CD1 4.49Å; L42-Y553 HydrophobicContact CB-CD2 4.41Å; L42-Y553 HydrophobicContact CB-CE1 4.08Å; L42-Y553 HydrophobicContact CB-CE2 4.01Å; L42-Y553 HydrophobicContact CD1-CD1 4.5Å; L42-Y553 HydrophobicContact CD1-CE1 3.99Å; L42-Y553 WeakPolarHBondContact O-CE2 3.44Å; T45-Y553 PolarHBondContact OG1-OH 2.86Å; L46-Y553 HydrophobicContact CD1-CD2 3.85Å; L46-Y553 HydrophobicContact CD1-CE2 4.27Å; L46-Y553 HydrophobicContact CD2-CD2 4.03Å; L46-Y553 HydrophobicContact CD2-CE2 3.65Å; L46-Y553 HydrophobicContact CG-CD2 3.9Å; L46-Y553 HydrophobicContact CG-CE2 3.8Å; R549-Y553 WeakPolarHBondContact O-CB 3.49Å; R549-Y553 PolarHBondContact O-N 3.09Å; V550-Y553 PolarHBondContact O-N 3.47Å; Y553-S555 VanDerWaalsContact C-N 3.27Å; Y553-S555 PolarHBondContact O-N 3.01Å; Y553-L556 PolarHBondContact O-N 3.5Å; Y553-A557 PolarHBondContact O-N 2.92Å; Y553-A557 VanDerWaalsContact O-N 3.12Å |
| 554 | F | 97.9 | Very high | 97.6 | Very high | 16 Ų | 16 | 25.2 Ų | 25.2 | 7% | 0.07 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -62.2 | -35.8 | 171.5 | 178.4 | -128.7 | 0 | 0 | 0 | 112 | I34 Y469 H483 V550 V552 L556 A557 L558 | I34-F554 HydrophobicContact CD1-CB 3.98Å; I34-F554 HydrophobicContact CD1-CD2 4.08Å; I34-F554 HydrophobicContact CD1-CG 4.49Å; I34-F554 HydrophobicContact CG1-CB 4.16Å; I34-F554 HydrophobicContact CG1-CD2 3.71Å; I34-F554 HydrophobicContact CG1-CG 4.27Å; I34-F554 HydrophobicContact CG2-CB 4.32Å; Y469-F554 AromaticContact CD2-CE1 3.94Å; Y469-F554 HydrophobicContact CD2-CE1 3.94Å; Y469-F554 HydrophobicContact CE1-CD1 4.15Å; Y469-F554 HydrophobicContact CE1-CE1 4.35Å; Y469-F554 AromaticContact CE2-CD1 3.79Å; Y469-F554 HydrophobicContact CE2-CD1 3.79Å; Y469-F554 AromaticContact CE2-CE1 3.62Å; Y469-F554 HydrophobicContact CE2-CE1 3.62Å; Y469-F554 HydrophobicContact CG-CE1 4.45Å; Y469-F554 AromaticContact CZ-CD1 3.58Å; Y469-F554 AromaticContact CZ-CE1 3.85Å; H483-F554 AromaticContact CD2-CD1 3.91Å; H483-F554 AromaticContact CE1-CD1 3.68Å; H483-F554 AromaticContact CE1-CE1 3.47Å; H483-F554 VanDerWaalsContact CE1-CE1 3.47Å; H483-F554 WeakPolarHBondContact CE1-CE1 3.2Å; H483-F554 AromaticContact CE1-CZ 3.79Å; H483-F554 AromaticContact NE2-CD1 3.54Å; H483-F554 AromaticContact NE2-CE1 3.36Å; H483-F554 WeakPolarHBondContact NE2-CE1 3.23Å; V550-F554 WeakPolarHBondContact O-CB 3.29Å; V550-F554 PolarHBondContact O-N 2.7Å; V552-F554 PolarHBondContact O-N 3.18Å; F554-L556 PolarHBondContact O-N 3.43Å; F554-A557 PolarHBondContact O-N 2.71Å; F554-L558 HydrophobicContact CE1-CD2 4.45Å; F554-L558 HydrophobicContact CZ-CD1 4.23Å; F554-L558 HydrophobicContact CZ-CD2 4.48Å; F554-L558 VanDerWaalsContact O-CB 3.22Å; F554-L558 WeakPolarHBondContact O-CB 3.12Å; F554-L558 PolarHBondContact O-N 3.05Å |
| 555 | S | 98.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -63.7 | -39 | 174.8 | -57 | 0 | 0 | 0 | 0 | 112.7 | I62 L67 Y469 V551 V552 Y553 L558 L559 | I62-S555 WeakPolarHBondContact CG2-OG 3.4Å; L67-S555 WeakPolarHBondContact CD2-O 3.24Å; Y469-S555 WeakPolarHBondContact CE1-OG 3.46Å; V551-S555 WeakPolarHBondContact O-CB 3.28Å; V551-S555 PolarHBondContact O-N 3.24Å; V551-S555 PolarHBondContact O-OG 3.45Å; V552-S555 WeakPolarHBondContact O-CA 3.42Å; V552-S555 VanDerWaalsContact O-CB 3.29Å; V552-S555 WeakPolarHBondContact O-CB 3.42Å; V552-S555 PolarHBondContact O-N 2.73Å; Y553-S555 VanDerWaalsContact C-N 3.27Å; Y553-S555 PolarHBondContact O-N 3.01Å; S555-L558 PolarHBondContact O-N 3.05Å; S555-L559 WeakPolarHBondContact O-CB 3.35Å; S555-L559 PolarHBondContact O-N 3.12Å |
| 556 | L | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -62.9 | -43.7 | 173.2 | -66.6 | 171.2 | 0 | 0 | 0 | 111.8 | I29 L46 W50 L54 L66 L84 F87 V552 Y553 F554 L559 | I29-L556 HydrophobicContact CG2-CB 3.91Å; L46-L556 HydrophobicContact CD1-CD1 3.65Å; L46-L556 HydrophobicContact CD2-CD1 3.69Å; L46-L556 HydrophobicContact CG-CD1 4.35Å; W50-L556 HydrophobicContact CE3-CD1 4.47Å; W50-L556 HydrophobicContact CZ3-CD2 4.38Å; L54-L556 HydrophobicContact CD1-CD1 3.94Å; L54-L556 HydrophobicContact CD1-CD2 4.45Å; L66-L556 HydrophobicContact CD1-CD2 3.99Å; L66-L556 HydrophobicContact CD2-CD2 3.88Å; L66-L556 HydrophobicContact CD2-CG 4.27Å; L84-L556 HydrophobicContact CD1-CD2 4.27Å; F87-L556 HydrophobicContact CD1-CD2 4.33Å; F87-L556 HydrophobicContact CE1-CD2 3.65Å; F87-L556 HydrophobicContact CZ-CD2 4.43Å; V552-L556 PolarHBondContact O-N 2.8Å; Y553-L556 PolarHBondContact O-N 3.5Å; F554-L556 PolarHBondContact O-N 3.43Å; L556-L559 PolarHBondContact O-N 2.95Å |
| 557 | A | 97.8 | Very high | 97.6 | Very high | 18 Ų | 18 | 12.1 Ų | 12.1 | 15% | 0.149 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -66.6 | -39.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | I29 I34 Y553 F554 L559 L560 A561 | I29-A557 HydrophobicContact CG2-CB 4.05Å; I34-A557 HydrophobicContact CD1-CB 4.49Å; Y553-A557 PolarHBondContact O-N 2.92Å; Y553-A557 VanDerWaalsContact O-N 3.12Å; F554-A557 PolarHBondContact O-N 2.71Å; A557-L559 VanDerWaalsContact C-N 3.3Å; A557-L559 PolarHBondContact O-N 3.26Å; A557-L560 WeakPolarHBondContact O-CB 3.5Å; A557-L560 PolarHBondContact O-N 3.12Å; A557-L560 VanDerWaalsContact O-N 3.13Å; A557-A561 PolarHBondContact O-N 3.06Å |
| 558 | L | 96.3 | Very high | 97.7 | Very high | 4 Ų | 4 | 9.5 Ų | 9.5 | 2% | 0.021 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -67.7 | -30.4 | 177.9 | -168.9 | 66.8 | 0 | 0 | 0 | 112.1 | H464 I466 Y469 F554 S555 L560 A561 | H464-L558 HydrophobicContact CB-CD1 3.4Å; I466-L558 HydrophobicContact CG1-CD2 4.28Å; I466-L558 HydrophobicContact CG1-CG 3.86Å; Y469-L558 HydrophobicContact CD1-CD2 3.41Å; Y469-L558 VanDerWaalsContact CD1-CD2 3.41Å; Y469-L558 HydrophobicContact CE1-CD2 4.22Å; Y469-L558 HydrophobicContact CG-CD2 3.62Å; F554-L558 HydrophobicContact CE1-CD2 4.45Å; F554-L558 HydrophobicContact CZ-CD1 4.23Å; F554-L558 HydrophobicContact CZ-CD2 4.48Å; F554-L558 VanDerWaalsContact O-CB 3.22Å; F554-L558 WeakPolarHBondContact O-CB 3.12Å; F554-L558 PolarHBondContact O-N 3.05Å; S555-L558 PolarHBondContact O-N 3.05Å; L558-L560 PolarHBondContact O-N 2.81Å; L558-A561 HydrophobicContact CD1-CB 4.42Å; L558-A561 VanDerWaalsContact O-CB 3.29Å; L558-A561 WeakPolarHBondContact O-CB 3.49Å; L558-A561 PolarHBondContact O-N 3.2Å; L558-A561 VanDerWaalsContact O-N 3.15Å |
| 559 | L | 96.7 | Very high | 97.7 | Very high | 2 Ų | 2 | 7.8 Ų | 7.8 | 1% | 0.01 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -65.3 | -25.5 | 172.9 | -169 | 63.3 | 0 | 0 | 0 | 112.7 | L66 L67 F87 R88 A91 H92 S555 L556 A557 | L66-L559 HydrophobicContact CD1-CD2 4.25Å; L67-L559 HydrophobicContact CD2-CB 4.14Å; L67-L559 HydrophobicContact CD2-CD1 4.22Å; F87-L559 HydrophobicContact CD1-CD2 4.34Å; F87-L559 HydrophobicContact CE1-CD2 3.86Å; R88-L559 HydrophobicContact CB-CD2 4.28Å; R88-L559 HydrophobicContact CG-CD2 4.09Å; A91-L559 HydrophobicContact CB-CD2 4.26Å; A91-L559 HydrophobicContact CB-CG 3.89Å; H92-L559 VanDerWaalsContact CE1-CD1 3.47Å; H92-L559 WeakPolarHBondContact CE1-CD1 3.44Å; S555-L559 WeakPolarHBondContact O-CB 3.35Å; S555-L559 PolarHBondContact O-N 3.12Å; L556-L559 PolarHBondContact O-N 2.95Å; A557-L559 VanDerWaalsContact C-N 3.3Å; A557-L559 PolarHBondContact O-N 3.26Å |
| 560 | L | 97.8 | Very high | 97.7 | Very high | 2 Ų | 2 | 3.6 Ų | 3.6 | 1% | 0.01 | 2% | 0.023 | C | C | . | . | H | α-helix | trans | -83.7 | -16.6 | 173.3 | -64.4 | 177.6 | 0 | 0 | 0 | 113.6 | F22 I29 F87 A557 L558 V563 V564 | F22-L560 HydrophobicContact CD1-CD2 4.25Å; F22-L560 HydrophobicContact CE1-CD2 3.45Å; F22-L560 VanDerWaalsContact CE1-CD2 3.45Å; F22-L560 HydrophobicContact CZ-CD2 4.07Å; I29-L560 HydrophobicContact CB-CD1 3.99Å; I29-L560 HydrophobicContact CG2-CD1 4.2Å; F87-L560 HydrophobicContact CE2-CD1 4.26Å; F87-L560 HydrophobicContact CE2-CD2 3.8Å; F87-L560 HydrophobicContact CE2-CG 4.17Å; F87-L560 HydrophobicContact CZ-CD1 4.39Å; F87-L560 HydrophobicContact CZ-CD2 4.11Å; F87-L560 HydrophobicContact CZ-CG 4.1Å; A557-L560 WeakPolarHBondContact O-CB 3.5Å; A557-L560 PolarHBondContact O-N 3.12Å; A557-L560 VanDerWaalsContact O-N 3.13Å; L558-L560 PolarHBondContact O-N 2.81Å; L560-V563 HydrophobicContact CD2-CG2 4.37Å; L560-V563 VanDerWaalsContact O-CB 3.25Å; L560-V563 WeakPolarHBondContact O-CB 3.3Å; L560-V563 PolarHBondContact O-N 3Å; L560-V564 PolarHBondContact O-N 2.91Å; L560-V564 VanDerWaalsContact O-N 3.12Å |
| 561 | A | 96.4 | Very high | 97.7 | Very high | 5 Ų | 5 | 3.6 Ų | 3.6 | 4% | 0.041 | 2% | 0.023 | C | C | . | . | H | α-helix | trans | -55.7 | -46.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | G461 A557 L558 V563 V564 E565 | G461-A561 WeakPolarHBondContact O-CB 3.38Å; A557-A561 PolarHBondContact O-N 3.06Å; L558-A561 HydrophobicContact CD1-CB 4.42Å; L558-A561 VanDerWaalsContact O-CB 3.29Å; L558-A561 WeakPolarHBondContact O-CB 3.49Å; L558-A561 PolarHBondContact O-N 3.2Å; L558-A561 VanDerWaalsContact O-N 3.15Å; A561-V563 VanDerWaalsContact C-N 3.26Å; A561-V563 PolarHBondContact O-N 2.86Å; A561-V564 PolarHBondContact O-N 2.98Å; A561-E565 PolarHBondContact O-N 2.65Å; A561-E565 VanDerWaalsContact O-N 3.07Å |
| 562 | P | 96 | Very high | 97.7 | Very high | 14 Ų | 14 | 3.5 Ų | 3.5 | 9% | 0.091 | 2% | 0.022 | C | C | . | . | H | α-helix | trans | -73.6 | -20.1 | 178.8 | -10.6 | 27.3 | 0 | 0 | 0 | 112.4 | T95 I466 T566 | T95-P562 HydrophobicContact CG2-CB 3.87Å; I466-P562 HydrophobicContact CD1-CG 3.49Å; I466-P562 VanDerWaalsContact CD1-CG 3.49Å; I466-P562 HydrophobicContact CG1-CG 4.45Å; P562-T566 VanDerWaalsContact O-CB 3.29Å; P562-T566 WeakPolarHBondContact O-CB 3.42Å; P562-T566 PolarHBondContact O-N 3.42Å; P562-T566 PolarHBondContact O-OG1 2.9Å |
| 563 | V | 97.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 3.9 Ų | 3.9 | 0% | 0 | 2% | 0.024 | C | C | . | . | H | α-helix | trans | -68.3 | -45.2 | 175.3 | -172.3 | 0 | 0 | 0 | 0 | 109.3 | L19 F22 L23 A91 T95 L560 A561 T566 L567 | L19-V563 HydrophobicContact CD2-CG1 3.42Å; L19-V563 VanDerWaalsContact CD2-CG1 3.42Å; F22-V563 HydrophobicContact CD1-CG1 4.03Å; F22-V563 HydrophobicContact CE1-CG1 4.46Å; F22-V563 HydrophobicContact CE1-CG2 4.38Å; L23-V563 HydrophobicContact CD1-CG1 4.23Å; L23-V563 HydrophobicContact CD2-CB 4.12Å; L23-V563 HydrophobicContact CD2-CG1 3.8Å; L23-V563 HydrophobicContact CG-CG1 3.9Å; A91-V563 HydrophobicContact CB-CG2 4.13Å; T95-V563 HydrophobicContact CG2-CB 4.27Å; T95-V563 HydrophobicContact CG2-CG2 3.73Å; L560-V563 HydrophobicContact CD2-CG2 4.37Å; L560-V563 VanDerWaalsContact O-CB 3.25Å; L560-V563 WeakPolarHBondContact O-CB 3.3Å; L560-V563 PolarHBondContact O-N 3Å; A561-V563 VanDerWaalsContact C-N 3.26Å; A561-V563 PolarHBondContact O-N 2.86Å; V563-T566 PolarHBondContact O-N 3.36Å; V563-L567 PolarHBondContact O-N 3.03Å |
| 564 | V | 98.3 | Very high | 97.6 | Very high | 2 Ų | 2 | 4 Ų | 4 | 1% | 0.012 | 2% | 0.024 | C | C | . | . | H | α-helix | trans | -63.4 | -48.3 | 172.8 | -179 | 0 | 0 | 0 | 0 | 110.7 | L23 L454 A458 A462 L560 A561 T566 L567 V568 | L23-V564 HydrophobicContact CD1-CG2 4.1Å; L23-V564 HydrophobicContact CD2-CG2 3.72Å; L454-V564 HydrophobicContact CD1-CG1 3.96Å; L454-V564 HydrophobicContact CD2-CG1 4.03Å; A458-V564 HydrophobicContact CB-CG2 4.17Å; A462-V564 HydrophobicContact CB-CB 4.04Å; A462-V564 HydrophobicContact CB-CG1 3.9Å; L560-V564 PolarHBondContact O-N 2.91Å; L560-V564 VanDerWaalsContact O-N 3.12Å; A561-V564 PolarHBondContact O-N 2.98Å; V564-T566 VanDerWaalsContact C-N 3.27Å; V564-T566 PolarHBondContact O-N 3.4Å; V564-L567 PolarHBondContact O-N 3.11Å; V564-L567 VanDerWaalsContact O-N 3.13Å; V564-V568 HydrophobicContact CG1-CG2 4.45Å; V564-V568 VanDerWaalsContact O-CG2 3.27Å; V564-V568 WeakPolarHBondContact O-CG2 3.5Å; V564-V568 PolarHBondContact O-N 2.91Å; V564-V568 VanDerWaalsContact O-N 3.12Å |
| 565 | E | 97.6 | Very high | 97.6 | Very high | 2 Ų | 2 | 4.1 Ų | 4.1 | 1% | 0.009 | 3% | 0.025 | C | C | . | . | H | α-helix | trans | -55 | -42.6 | 175.2 | 176.2 | 160.5 | -117.3 | 0 | 0 | 111.7 | R98 Y406 A462 A561 V568 L569 R596 | R98-E565 IonicContact CZ-OE2 3.84Å; R98-E565 IonicContact NH1-OE2 2.71Å; R98-E565 PolarHBondContact NH1-OE2 3.07Å; Y406-E565 HydrophobicContact CE2-CB 4.27Å; Y406-E565 HydrophobicContact CE2-CG 3.95Å; Y406-E565 WeakPolarHBondContact CE2-OE1 3.37Å; Y406-E565 WeakPolarHBondContact OH-CG 3.14Å; Y406-E565 PolarHBondContact OH-OE1 3.3Å; A462-E565 HydrophobicContact CB-CB 4.36Å; A561-E565 PolarHBondContact O-N 2.65Å; A561-E565 VanDerWaalsContact O-N 3.07Å; E565-V568 PolarHBondContact O-N 3.37Å; E565-L569 HydrophobicContact CG-CD1 3.78Å; E565-L569 HydrophobicContact CG-CG 4.48Å; E565-L569 WeakPolarHBondContact O-CB 3.5Å; E565-L569 VanDerWaalsContact O-CG 3.25Å; E565-L569 WeakPolarHBondContact O-CG 3.5Å; E565-L569 PolarHBondContact O-N 3.31Å; E565-R596 IonicContact OE1-NE 3.51Å; E565-R596 IonicContact OE1-NH2 2.7Å; E565-R596 IonicContact OE2-NH2 3.77Å |
| 566 | T | 97.6 | Very high | 97.6 | Very high | 3 Ų | 3 | 4.1 Ų | 4.1 | 2% | 0.018 | 3% | 0.025 | C | C | . | . | H | α-helix | trans | -61.9 | -45.3 | 176.5 | -60 | 0 | 0 | 0 | 0 | 111.5 | L19 L94 T95 F96 P562 V563 V564 V568 L569 L570 | L19-T566 HydrophobicContact CD1-CG2 3.83Å; L19-T566 HydrophobicContact CD2-CG2 4.33Å; L94-T566 VanDerWaalsContact O-CG2 3.31Å; L94-T566 WeakPolarHBondContact O-CG2 3.17Å; T95-T566 WeakPolarHBondContact CA-OG1 3.39Å; F96-T566 HydrophobicContact CD2-CG2 3.3Å; F96-T566 HydrophobicContact CE2-CG2 3.51Å; F96-T566 HydrophobicContact CG-CG2 3.91Å; F96-T566 HydrophobicContact CZ-CG2 4.28Å; F96-T566 PolarHBondContact N-OG1 2.88Å; P562-T566 VanDerWaalsContact O-CB 3.29Å; P562-T566 WeakPolarHBondContact O-CB 3.42Å; P562-T566 PolarHBondContact O-N 3.42Å; P562-T566 PolarHBondContact O-OG1 2.9Å; V563-T566 PolarHBondContact O-N 3.36Å; V564-T566 VanDerWaalsContact C-N 3.27Å; V564-T566 PolarHBondContact O-N 3.4Å; T566-V568 PolarHBondContact O-N 3.17Å; T566-L569 PolarHBondContact O-N 3.34Å; T566-L570 VanDerWaalsContact O-CB 3.22Å; T566-L570 WeakPolarHBondContact O-CB 3.29Å; T566-L570 PolarHBondContact O-N 3Å |
| 567 | L | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 6.7 Ų | 6.7 | 0% | 0 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -62.3 | -44.6 | 179.1 | -179.1 | 57.1 | 0 | 0 | 0 | 112.3 | L19 T20 L23 Y440 V446 L454 V563 V564 L569 L570 D571 | L19-L567 HydrophobicContact CB-CB 4.34Å; L19-L567 HydrophobicContact CB-CD1 4.08Å; L19-L567 HydrophobicContact CD1-CB 4.17Å; L19-L567 HydrophobicContact CD1-CD1 4.27Å; T20-L567 HydrophobicContact CG2-CD1 4.16Å; T20-L567 HydrophobicContact CG2-CD2 3.95Å; L23-L567 HydrophobicContact CD1-CB 4.42Å; L23-L567 HydrophobicContact CD1-CD2 3.83Å; Y440-L567 WeakPolarHBondContact OH-CD2 3.43Å; V446-L567 HydrophobicContact CG1-CD1 4.26Å; V446-L567 HydrophobicContact CG2-CD1 4.49Å; L454-L567 HydrophobicContact CD1-CD2 4.37Å; L454-L567 HydrophobicContact CD2-CD2 4.25Å; L454-L567 HydrophobicContact CG-CD2 4.49Å; V563-L567 PolarHBondContact O-N 3.03Å; V564-L567 PolarHBondContact O-N 3.11Å; V564-L567 VanDerWaalsContact O-N 3.13Å; L567-L569 VanDerWaalsContact C-N 3.3Å; L567-L569 PolarHBondContact O-N 2.95Å; L567-L570 PolarHBondContact O-N 3.27Å; L567-D571 WeakPolarHBondContact O-CB 3.4Å; L567-D571 PolarHBondContact O-N 3.41Å |
| 568 | V | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 9.1 Ų | 9.1 | 0% | 0 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -69.9 | -27.8 | 178.5 | -154.2 | 0 | 0 | 0 | 0 | 111.7 | Y406 I409 Y440 L454 V564 E565 T566 R572 | Y406-V568 HydrophobicContact CD1-CB 4.39Å; Y406-V568 HydrophobicContact CD1-CG1 4.42Å; I409-V568 HydrophobicContact CD1-CG1 3.94Å; Y440-V568 HydrophobicContact CD2-CB 4.43Å; Y440-V568 HydrophobicContact CD2-CG1 3.72Å; Y440-V568 HydrophobicContact CE2-CG1 4.38Å; Y440-V568 HydrophobicContact CG-CG1 4.31Å; L454-V568 HydrophobicContact CD1-CG2 3.58Å; V564-V568 HydrophobicContact CG1-CG2 4.45Å; V564-V568 VanDerWaalsContact O-CG2 3.27Å; V564-V568 WeakPolarHBondContact O-CG2 3.5Å; V564-V568 PolarHBondContact O-N 2.91Å; V564-V568 VanDerWaalsContact O-N 3.12Å; E565-V568 PolarHBondContact O-N 3.37Å; T566-V568 PolarHBondContact O-N 3.17Å; V568-R572 VanDerWaalsContact CG1-NH1 3.32Å; V568-R572 WeakPolarHBondContact O-CD 3.23Å; V568-R572 WeakPolarHBondContact O-CG 3.37Å; V568-R572 PolarHBondContact O-NH1 2.89Å |
| 569 | L | 97.8 | Very high | 97.3 | Very high | 3 Ų | 3 | 14.4 Ų | 14.4 | 2% | 0.016 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -77.5 | -36.6 | 174.6 | -70.3 | 171 | 0 | 0 | 0 | 112.2 | F96 E565 T566 L567 R572 M573 L585 L598 | F96-L569 HydrophobicContact CD2-CB 4.47Å; F96-L569 HydrophobicContact CE2-CB 4.27Å; E565-L569 HydrophobicContact CG-CD1 3.78Å; E565-L569 HydrophobicContact CG-CG 4.48Å; E565-L569 WeakPolarHBondContact O-CB 3.5Å; E565-L569 VanDerWaalsContact O-CG 3.25Å; E565-L569 WeakPolarHBondContact O-CG 3.5Å; E565-L569 PolarHBondContact O-N 3.31Å; T566-L569 PolarHBondContact O-N 3.34Å; L567-L569 VanDerWaalsContact C-N 3.3Å; L567-L569 PolarHBondContact O-N 2.95Å; L569-R572 PolarHBondContact O-N 2.73Å; L569-M573 PolarHBondContact O-N 3.46Å; L569-M573 VanDerWaalsContact O-N 3.16Å; L569-L585 HydrophobicContact CB-CD1 3.81Å; L569-L585 HydrophobicContact CB-CD2 4.15Å; L569-L585 HydrophobicContact CD1-CD2 4.34Å; L569-L585 HydrophobicContact CD2-CD2 4.01Å; L569-L585 HydrophobicContact CG-CD2 4.4Å; L569-L598 HydrophobicContact CD1-CB 3.9Å; L569-L598 HydrophobicContact CD1-CD1 3.56Å; L569-L598 HydrophobicContact CD1-CG 4.38Å |
| 570 | L | 97.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -69.5 | -39.4 | 177.1 | 178.8 | 61 | 0 | 0 | 0 | 112.4 | Q12 L15 A16 L19 F96 T566 L567 R572 M573 L574 | Q12-L570 HydrophobicContact CB-CD1 3.84Å; Q12-L570 HydrophobicContact CG-CD1 4.01Å; L15-L570 HydrophobicContact CB-CD2 3.93Å; L15-L570 HydrophobicContact CD2-CD2 3.99Å; L15-L570 HydrophobicContact CG-CD2 3.77Å; A16-L570 HydrophobicContact CB-CD2 3.71Å; A16-L570 HydrophobicContact CB-CG 4.39Å; L19-L570 HydrophobicContact CD1-CD2 3.68Å; F96-L570 HydrophobicContact CE2-CB 4.02Å; F96-L570 HydrophobicContact CZ-CB 4.13Å; F96-L570 HydrophobicContact CZ-CD1 4.13Å; T566-L570 VanDerWaalsContact O-CB 3.22Å; T566-L570 WeakPolarHBondContact O-CB 3.29Å; T566-L570 PolarHBondContact O-N 3Å; L567-L570 PolarHBondContact O-N 3.27Å; L570-R572 VanDerWaalsContact C-N 3.28Å; L570-R572 PolarHBondContact O-N 3.02Å; L570-M573 WeakPolarHBondContact O-CB 3.27Å; L570-M573 PolarHBondContact O-N 3.34Å; L570-M573 VanDerWaalsContact O-N 3.12Å; L570-L574 HydrophobicContact CD1-CD1 4.38Å; L570-L574 HydrophobicContact CD1-CG 4.33Å; L570-L574 HydrophobicContact CG-CD1 4.09Å; L570-L574 HydrophobicContact CG-CG 4.49Å; L570-L574 WeakPolarHBondContact O-CB 3.43Å; L570-L574 WeakPolarHBondContact O-CG 3.35Å; L570-L574 PolarHBondContact O-N 3.48Å |
| 571 | D | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -53.4 | -44.9 | 171.2 | 172 | 56.2 | 0 | 0 | 0 | 111.9 | Y440 M442 S443 V446 L567 L574 Y575 | Y440-D571 HydrophobicContact CD2-CB 4.19Å; Y440-D571 WeakPolarHBondContact CD2-OD2 3.48Å; Y440-D571 HydrophobicContact CE2-CB 3.96Å; M442-D571 VanDerWaalsContact N-CG 3.34Å; M442-D571 PolarHBondContact N-OD1 3.22Å; M442-D571 VanDerWaalsContact N-OD1 3.13Å; M442-D571 PolarHBondContact N-OD2 3.28Å; S443-D571 WeakPolarHBondContact CB-O 3.32Å; S443-D571 WeakPolarHBondContact CB-OD1 3.26Å; S443-D571 PolarHBondContact N-OD1 2.88Å; S443-D571 PolarHBondContact OG-OD1 3.24Å; V446-D571 HydrophobicContact CB-CB 4.42Å; V446-D571 HydrophobicContact CG2-CB 4.06Å; L567-D571 WeakPolarHBondContact O-CB 3.4Å; L567-D571 PolarHBondContact O-N 3.41Å; D571-L574 PolarHBondContact O-N 3.08Å; D571-Y575 WeakPolarHBondContact O-CB 3.45Å; D571-Y575 PolarHBondContact O-N 3.34Å |
| 572 | R | 97.8 | Very high | 96.7 | Very high | 2 Ų | 2 | 26.8 Ų | 26.8 | 1% | 0.008 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -66 | -37 | 175.6 | -64.7 | 169.9 | -178.7 | 115.3 | -13.4 | 113 | S383 L387 M442 V568 L569 L570 L576 L600 | S383-R572 PolarHBondContact OG-NH2 3.47Å; L387-R572 HydrophobicContact CD1-CB 3.66Å; L387-R572 HydrophobicContact CD1-CG 3.57Å; M442-R572 HydrophobicContact SD-CG 4.2Å; V568-R572 VanDerWaalsContact CG1-NH1 3.32Å; V568-R572 WeakPolarHBondContact O-CD 3.23Å; V568-R572 WeakPolarHBondContact O-CG 3.37Å; V568-R572 PolarHBondContact O-NH1 2.89Å; L569-R572 PolarHBondContact O-N 2.73Å; L570-R572 VanDerWaalsContact C-N 3.28Å; L570-R572 PolarHBondContact O-N 3.02Å; R572-L576 PolarHBondContact O-N 3.44Å; R572-L600 HydrophobicContact CB-CD1 3.63Å |
| 573 | M | 97.5 | Very high | 96.6 | Very high | 8 Ų | 8 | 26.8 Ų | 26.8 | 4% | 0.039 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -65.4 | -44.4 | 173.9 | -70 | -174.7 | 66.6 | 0 | 0 | 111.6 | F96 L569 L570 L576 Q577 S583 L585 | F96-M573 HydrophobicContact CZ-SD 4.05Å; L569-M573 PolarHBondContact O-N 3.46Å; L569-M573 VanDerWaalsContact O-N 3.16Å; L570-M573 WeakPolarHBondContact O-CB 3.27Å; L570-M573 PolarHBondContact O-N 3.34Å; L570-M573 VanDerWaalsContact O-N 3.12Å; M573-L576 PolarHBondContact O-N 3.17Å; M573-Q577 WeakPolarHBondContact O-CB 3.17Å; M573-Q577 PolarHBondContact O-N 3.08Å; M573-S583 WeakPolarHBondContact CA-OG 3.47Å; M573-L585 HydrophobicContact CG-CD1 4.35Å; M573-L585 HydrophobicContact CG-CG 4.32Å; M573-L585 HydrophobicContact SD-CD1 3.52Å; M573-L585 VanDerWaalsContact SD-CD1 3.52Å; M573-L585 HydrophobicContact SD-CG 3.69Å |
| 574 | L | 97.6 | Very high | 96.4 | Very high | 3 Ų | 3 | 28.5 Ų | 28.5 | 2% | 0.016 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -63.9 | -41.8 | 177.3 | -73.9 | 169.6 | 0 | 0 | 0 | 111.5 | Q12 R13 A16 W445 V446 L570 D571 L576 Q577 E578 | Q12-L574 HydrophobicContact CB-CD2 3.81Å; Q12-L574 HydrophobicContact CB-CG 4.45Å; R13-L574 HydrophobicContact CG-CD2 4.07Å; A16-L574 HydrophobicContact CB-CD1 4.01Å; W445-L574 HydrophobicContact CB-CD1 4.45Å; W445-L574 HydrophobicContact CG-CD1 4.4Å; V446-L574 HydrophobicContact CG2-CD1 3.82Å; L570-L574 HydrophobicContact CD1-CD1 4.38Å; L570-L574 HydrophobicContact CD1-CG 4.33Å; L570-L574 HydrophobicContact CG-CD1 4.09Å; L570-L574 HydrophobicContact CG-CG 4.49Å; L570-L574 WeakPolarHBondContact O-CB 3.43Å; L570-L574 WeakPolarHBondContact O-CG 3.35Å; L570-L574 PolarHBondContact O-N 3.48Å; D571-L574 PolarHBondContact O-N 3.08Å; L574-L576 VanDerWaalsContact C-N 3.35Å; L574-L576 PolarHBondContact O-N 3.25Å; L574-Q577 CarbonylContact O-C 3.54Å; L574-Q577 WeakPolarHBondContact O-CB 3.47Å; L574-Q577 PolarHBondContact O-N 3.13Å; L574-Q577 VanDerWaalsContact O-N 3.15Å; L574-E578 VanDerWaalsContact O-CG 3.29Å; L574-E578 WeakPolarHBondContact O-CG 3.21Å; L574-E578 PolarHBondContact O-N 3.43Å |
| 575 | Y | 97.7 | Very high | 96.2 | Very high | 19 Ų | 19 | 29.3 Ų | 29.3 | 8% | 0.075 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -56.8 | -45.8 | 174.2 | 169.5 | -101.1 | 0 | 0 | 0 | 111.9 | L387 V391 M442 D571 E578 K579 | L387-Y575 HydrophobicContact CB-CD1 4.37Å; L387-Y575 HydrophobicContact CB-CE1 4.09Å; V391-Y575 HydrophobicContact CG2-CE1 3.71Å; M442-Y575 HydrophobicContact CB-CD2 3.94Å; M442-Y575 HydrophobicContact CB-CG 3.89Å; M442-Y575 HydrophobicContact CE-CD1 3.85Å; M442-Y575 HydrophobicContact CE-CD2 4.31Å; M442-Y575 HydrophobicContact CE-CE1 3.67Å; M442-Y575 HydrophobicContact CE-CE2 4.12Å; M442-Y575 HydrophobicContact CE-CG 4.16Å; M442-Y575 VanDerWaalsContact O-CD2 3.27Å; M442-Y575 WeakPolarHBondContact O-CD2 3.47Å; D571-Y575 WeakPolarHBondContact O-CB 3.45Å; D571-Y575 PolarHBondContact O-N 3.34Å; Y575-E578 PolarHBondContact O-N 3.09Å; Y575-K579 WeakPolarHBondContact O-CG 3.27Å; Y575-K579 PolarHBondContact O-N 3.38Å |
| 576 | L | 96.8 | Very high | 96 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -66.3 | -39.6 | 175.8 | -68.9 | -177.4 | 0 | 0 | 0 | 112.2 | L387 F390 V391 R572 M573 L574 E578 K579 G580 I581 L600 A602 | L387-L576 HydrophobicContact CD2-CD1 3.75Å; L387-L576 HydrophobicContact CD2-CD2 3.99Å; L387-L576 HydrophobicContact CD2-CG 4.03Å; F390-L576 HydrophobicContact CD1-CD1 4.49Å; F390-L576 HydrophobicContact CD1-CD2 3.76Å; F390-L576 HydrophobicContact CE1-CD1 4.15Å; F390-L576 HydrophobicContact CE1-CD2 3.84Å; V391-L576 HydrophobicContact CG2-CD2 3.71Å; R572-L576 PolarHBondContact O-N 3.44Å; M573-L576 PolarHBondContact O-N 3.17Å; L574-L576 VanDerWaalsContact C-N 3.35Å; L574-L576 PolarHBondContact O-N 3.25Å; L576-E578 VanDerWaalsContact C-N 3.34Å; L576-E578 PolarHBondContact O-N 3.27Å; L576-K579 CarbonylContact O-C 3.57Å; L576-K579 WeakPolarHBondContact O-CA 3.29Å; L576-K579 PolarHBondContact O-N 2.93Å; L576-G580 PolarHBondContact O-N 2.85Å; L576-I581 CarbonylContact C-O 3.54Å; L576-I581 VanDerWaalsContact C-O 3.28Å; L576-I581 HydrophobicContact CB-CB 4.26Å; L576-I581 HydrophobicContact CD2-CD1 4.49Å; L576-I581 PolarHBondContact O-N 2.74Å; L576-L600 HydrophobicContact CD1-CD2 3.95Å; L576-A602 HydrophobicContact CD1-CB 3.74Å |
| 577 | Q | 95 | Very high | 95.8 | Very high | 54 Ų | 54 | 30.7 Ų | 30.7 | 25% | 0.252 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -64 | -36.8 | 176.8 | -172.5 | -178.5 | -101.1 | 0 | 0 | 112.4 | A9 M573 L574 K579 G580 I581 | A9-Q577 VanDerWaalsContact CA-OE1 3.24Å; A9-Q577 VanDerWaalsContact CB-OE1 3.31Å; M573-Q577 WeakPolarHBondContact O-CB 3.17Å; M573-Q577 PolarHBondContact O-N 3.08Å; L574-Q577 CarbonylContact O-C 3.54Å; L574-Q577 WeakPolarHBondContact O-CB 3.47Å; L574-Q577 PolarHBondContact O-N 3.13Å; L574-Q577 VanDerWaalsContact O-N 3.15Å; Q577-K579 PolarHBondContact O-N 3.11Å; Q577-G580 PolarHBondContact O-N 3.27Å; Q577-I581 PolarHBondContact N-O 2.85Å |
| 578 | E | 95.6 | Very high | 95.5 | Very high | 68 Ų | 68 | 32.3 Ų | 32.3 | 32% | 0.318 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -63.6 | -18.6 | 171.9 | -72.9 | 170.3 | 172.2 | 0 | 0 | 112.8 | S443 S444 W445 L574 Y575 L576 | S443-E578 WeakPolarHBondContact CA-OE2 2.83Å; S444-E578 WeakPolarHBondContact CA-OE1 3.44Å; S444-E578 PolarHBondContact N-OE1 3.33Å; S444-E578 PolarHBondContact N-OE2 3.44Å; S444-E578 PolarHBondContact OG-OE1 3.06Å; S444-E578 PolarHBondContact OG-OE2 3.15Å; W445-E578 PolarHBondContact N-OE1 2.85Å; L574-E578 VanDerWaalsContact O-CG 3.29Å; L574-E578 WeakPolarHBondContact O-CG 3.21Å; L574-E578 PolarHBondContact O-N 3.43Å; Y575-E578 PolarHBondContact O-N 3.09Å; L576-E578 VanDerWaalsContact C-N 3.34Å; L576-E578 PolarHBondContact O-N 3.27Å |
| 579 | K | 95.3 | Very high | 95.2 | Very high | 115 Ų | 115 | 32.3 Ų | 32.3 | 50% | 0.5 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | 13.1 | 171.1 | -48.2 | -53.3 | 170.4 | -165 | 0 | 112.9 | V391 Y575 L576 Q577 I581 | V391-K579 HydrophobicContact CG1-CB 4.34Å; V391-K579 HydrophobicContact CG1-CD 4.44Å; V391-K579 HydrophobicContact CG1-CG 3.9Å; V391-K579 HydrophobicContact CG2-CB 4.4Å; V391-K579 HydrophobicContact CG2-CG 4.04Å; Y575-K579 WeakPolarHBondContact O-CG 3.27Å; Y575-K579 PolarHBondContact O-N 3.38Å; L576-K579 CarbonylContact O-C 3.57Å; L576-K579 WeakPolarHBondContact O-CA 3.29Å; L576-K579 PolarHBondContact O-N 2.93Å; Q577-K579 PolarHBondContact O-N 3.11Å; K579-I581 PolarHBondContact O-N 2.95Å |
| 580 | G | 93.5 | Very high | 94.8 | Very high | 68 Ų | 68 | 33.1 Ų | 33.1 | 70% | 0.701 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 74.7 | 3.3 | -179 | 0 | 0 | 0 | 0 | 0 | 115.1 | L576 Q577 | L576-G580 PolarHBondContact O-N 2.85Å; Q577-G580 PolarHBondContact O-N 3.27Å |
| 581 | I | 94.1 | Very high | 94.3 | Very high | 22 Ų | 22 | 34 Ų | 34 | 11% | 0.113 | 18% | 0.18 | C | C | . | . | trans | -90.2 | 123.3 | -175.9 | -57.7 | 173.1 | 0 | 0 | 0 | 109.9 | F390 V391 L576 Q577 K579 A602 | F390-I581 HydrophobicContact CE1-CD1 4Å; F390-I581 HydrophobicContact CE1-CG2 3.84Å; F390-I581 HydrophobicContact CZ-CD1 4.3Å; F390-I581 HydrophobicContact CZ-CG2 3.91Å; V391-I581 HydrophobicContact CG2-CD1 4.18Å; L576-I581 CarbonylContact C-O 3.54Å; L576-I581 VanDerWaalsContact C-O 3.28Å; L576-I581 HydrophobicContact CB-CB 4.26Å; L576-I581 HydrophobicContact CD2-CD1 4.49Å; L576-I581 PolarHBondContact O-N 2.74Å; Q577-I581 PolarHBondContact N-O 2.85Å; K579-I581 PolarHBondContact O-N 2.95Å; I581-A602 HydrophobicContact CG2-CB 4Å | ||
| 582 | K | 91.4 | Very high | 93.6 | Very high | 179 Ų | 179 | 35 Ų | 35 | 78% | 0.778 | 19% | 0.188 | S | C | * | . | trans | -75.3 | 134.6 | 173.2 | -65.9 | -175.3 | -179.7 | -178.9 | 0 | 110.3 | ||||
| 583 | S | 94.3 | Very high | 93 | Very high | 14 Ų | 14 | 36.2 Ų | 36.2 | 10% | 0.098 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 161.6 | 178.9 | 62.1 | 0 | 0 | 0 | 0 | 111.6 | M573 M601 | M573-S583 WeakPolarHBondContact CA-OG 3.47Å; S583-M601 CarbonylContact C-O 3.52Å; S583-M601 VanDerWaalsContact CA-O 3.27Å; S583-M601 WeakPolarHBondContact CA-O 3.36Å; S583-M601 WeakPolarHBondContact CB-O 3.48Å |
| 584 | Q | 93.3 | Very high | 92.6 | Very high | 36 Ų | 36 | 35.8 Ų | 35.8 | 17% | 0.168 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 145 | 177.7 | -179.9 | 177.2 | -5.2 | 0 | 0 | 109.8 | T6 V586 M601 | T6-Q584 HydrophobicContact CG2-CB 4.2Å; T6-Q584 HydrophobicContact CG2-CG 4.13Å; Q584-V586 HydrophobicContact CG-CG2 4.19Å; Q584-M601 PolarHBondContact N-O 3.26Å; Q584-M601 PolarHBondContact O-N 3.03Å |
| 585 | L | 94.1 | Very high | 92.2 | Very high | 20 Ų | 20 | 36.1 Ų | 36.1 | 11% | 0.105 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 130.3 | 163.6 | -68.9 | 164.7 | 0 | 0 | 0 | 109.6 | F96 L569 M573 V599 L600 | F96-L585 HydrophobicContact CD1-CD1 4.22Å; F96-L585 HydrophobicContact CD2-CD1 3.4Å; F96-L585 VanDerWaalsContact CD2-CD1 3.4Å; F96-L585 HydrophobicContact CE1-CD1 4.06Å; F96-L585 HydrophobicContact CE2-CD1 3.21Å; F96-L585 HydrophobicContact CG-CD1 3.93Å; F96-L585 HydrophobicContact CZ-CD1 3.57Å; L569-L585 HydrophobicContact CB-CD1 3.81Å; L569-L585 HydrophobicContact CB-CD2 4.15Å; L569-L585 HydrophobicContact CD1-CD2 4.34Å; L569-L585 HydrophobicContact CD2-CD2 4.01Å; L569-L585 HydrophobicContact CG-CD2 4.4Å; M573-L585 HydrophobicContact CG-CD1 4.35Å; M573-L585 HydrophobicContact CG-CG 4.32Å; M573-L585 HydrophobicContact SD-CD1 3.52Å; M573-L585 VanDerWaalsContact SD-CD1 3.52Å; M573-L585 HydrophobicContact SD-CG 3.69Å; L585-V599 WeakPolarHBondContact CA-O 3.12Å; L585-L600 HydrophobicContact CD2-CB 3.9Å; L585-L600 HydrophobicContact CD2-CG 4.47Å |
| 586 | V | 93.1 | Very high | 91.8 | Very high | 17 Ų | 17 | 36.3 Ų | 36.3 | 10% | 0.103 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 117.2 | 179.4 | -177.7 | 0 | 0 | 0 | 0 | 108.9 | Q584 L588 L598 V599 M601 | Q584-V586 HydrophobicContact CG-CG2 4.19Å; V586-L588 VanDerWaalsContact C-N 3.27Å; V586-L588 HydrophobicContact CG1-CB 4.21Å; V586-L588 HydrophobicContact CG1-CD1 4.4Å; V586-L588 PolarHBondContact O-N 2.9Å; V586-L598 WeakPolarHBondContact O-CA 3.24Å; V586-V599 PolarHBondContact N-O 3.45Å; V586-V599 PolarHBondContact O-N 2.85Å; V586-M601 HydrophobicContact CG2-CE 4.13Å |
| 587 | P | 93.2 | Very high | 91.7 | Very high | 16 Ų | 16 | 36.3 Ų | 36.3 | 10% | 0.104 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 87.7 | 166.3 | 27.9 | -31.8 | 0 | 0 | 0 | 108.6 | T99 P100 N597 L598 | T99-P587 VanDerWaalsContact O-CG 3.28Å; T99-P587 WeakPolarHBondContact O-CG 3.24Å; P100-P587 WeakPolarHBondContact CA-O 3.34Å; P100-P587 WeakPolarHBondContact CB-O 3.46Å; P587-N597 CarbonylContact C-O 3.2Å; P587-L598 HydrophobicContact CB-CD2 3.99Å |
| 588 | L | 93.2 | Very high | 91.6 | Very high | 34 Ų | 34 | 34 Ų | 34 | 18% | 0.178 | 18% | 0.184 | C | C | . | . | trans | -92 | -38.1 | -168.8 | -175.4 | 65.1 | 0 | 0 | 0 | 112.4 | L145 L148 V586 N597 V599 | L145-L588 HydrophobicContact CB-CD2 4.22Å; L145-L588 HydrophobicContact CD1-CD2 4.07Å; L148-L588 HydrophobicContact CB-CD1 4.44Å; L148-L588 HydrophobicContact CB-CD2 4.17Å; L148-L588 HydrophobicContact CD2-CD1 4.24Å; L148-L588 HydrophobicContact CD2-CD2 3.75Å; V586-L588 VanDerWaalsContact C-N 3.27Å; V586-L588 HydrophobicContact CG1-CB 4.21Å; V586-L588 HydrophobicContact CG1-CD1 4.4Å; V586-L588 PolarHBondContact O-N 2.9Å; L588-N597 PolarHBondContact N-O 3.41Å; L588-V599 HydrophobicContact CB-CB 4.43Å; L588-V599 HydrophobicContact CB-CG2 3.71Å; L588-V599 HydrophobicContact CD2-CB 4.48Å; L588-V599 HydrophobicContact CD2-CG2 3.76Å; L588-V599 HydrophobicContact CG-CG2 4.39Å | ||
| 589 | F | 92.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -94.6 | 159.1 | 179.3 | -48.1 | -39.2 | 0 | 0 | 0 | 110.9 | H140 E141 L145 L376 V402 P591 R596 N597 V599 | H140-F589 WeakPolarHBondContact NE2-CA 3.2Å; E141-F589 HydrophobicContact CB-CE1 4.18Å; E141-F589 HydrophobicContact CB-CE2 4.43Å; E141-F589 HydrophobicContact CB-CZ 4.06Å; E141-F589 HydrophobicContact CG-CD1 4.42Å; E141-F589 HydrophobicContact CG-CD2 4.1Å; E141-F589 HydrophobicContact CG-CE1 4.32Å; E141-F589 HydrophobicContact CG-CE2 3.99Å; E141-F589 HydrophobicContact CG-CG 4.33Å; E141-F589 HydrophobicContact CG-CZ 4.11Å; L145-F589 HydrophobicContact CB-CE1 4.21Å; L145-F589 HydrophobicContact CB-CZ 4.25Å; L376-F589 HydrophobicContact CD1-CE2 4.45Å; L376-F589 HydrophobicContact CD1-CZ 4.13Å; V402-F589 HydrophobicContact CG1-CE2 3.9Å; V402-F589 HydrophobicContact CG2-CE2 4.42Å; V402-F589 HydrophobicContact CG2-CZ 4.32Å; F589-P591 WeakPolarHBondContact O-CD 3.48Å; F589-R596 WeakPolarHBondContact CD2-O 3.33Å; F589-N597 HydrophobicContact CB-CB 4.12Å; F589-N597 PolarHBondContact N-O 2.91Å; F589-N597 WeakPolarHBondContact O-CB 3.48Å; F589-N597 PolarHBondContact O-ND2 3.02Å; F589-V599 HydrophobicContact CE2-CG2 4.38Å; F589-V599 HydrophobicContact CZ-CG2 4.28Å |
| 590 | D | 88.2 | Confident | 91.8 | Very high | 20 Ų | 20 | 25.4 Ų | 25.4 | 11% | 0.107 | 15% | 0.146 | C | C | . | . | trans | -71.7 | 118.4 | 170.6 | -161 | -61.9 | 0 | 0 | 0 | 110 | K103 P113 H140 A592 F593 S594 | K103-D590 IonicContact NZ-OD2 2.99Å; K103-D590 PolarHBondContact NZ-OD2 3.34Å; P113-D590 HydrophobicContact CG-CB 3.84Å; H140-D590 PolarHBondContact NE2-N 2.96Å; D590-A592 PolarHBondContact O-N 2.86Å; D590-A592 PolarHBondContact OD1-N 3.08Å; D590-F593 HydrophobicContact CB-CB 4.36Å; D590-F593 PolarHBondContact O-N 3.27Å; D590-S594 PolarHBondContact O-N 3Å | ||
| 591 | P | 87.4 | Confident | 91.9 | Very high | 19 Ų | 19 | 23.4 Ų | 23.4 | 12% | 0.123 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -19 | -171.9 | 27.9 | -35.7 | 0 | 0 | 0 | 113.6 | R98 E467 F589 F593 P595 N597 | R98-P591 HydrophobicContact CB-CB 4.37Å; E467-P591 HydrophobicContact CG-CB 4.32Å; F589-P591 WeakPolarHBondContact O-CD 3.48Å; P591-F593 VanDerWaalsContact C-N 3.27Å; P591-F593 PolarHBondContact O-N 3.14Å; P591-P595 WeakPolarHBondContact O-CA 3.49Å; P591-P595 WeakPolarHBondContact O-CG 3.33Å; P591-N597 HydrophobicContact CB-CB 4.16Å |
| 592 | A | 83.8 | Confident | 92 | Very high | 20 Ų | 20 | 22.5 Ų | 22.5 | 17% | 0.165 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -8.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | E467 D590 | E467-A592 HydrophobicContact CB-CB 4.4Å; D590-A592 PolarHBondContact O-N 2.86Å; D590-A592 PolarHBondContact OD1-N 3.08Å |
| 593 | F | 85.8 | Confident | 92.2 | Very high | 28 Ų | 28 | 16.8 Ų | 16.8 | 12% | 0.123 | 9% | 0.092 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -128.2 | -35.1 | -173.5 | -166.1 | -115 | 0 | 0 | 0 | 113.4 | K112 P113 F116 P136 K137 H140 D590 P591 | K112-F593 HydrophobicContact CD-CE2 4.29Å; K112-F593 HydrophobicContact CG-CD2 4.13Å; K112-F593 HydrophobicContact CG-CE2 4.03Å; P113-F593 HydrophobicContact CG-CB 4.18Å; P113-F593 HydrophobicContact CG-CD1 3.82Å; P113-F593 HydrophobicContact CG-CE1 4.45Å; P113-F593 HydrophobicContact CG-CG 4.15Å; F116-F593 AromaticContact CD2-CE1 3.92Å; F116-F593 HydrophobicContact CD2-CE1 3.92Å; F116-F593 AromaticContact CD2-CZ 3.93Å; F116-F593 HydrophobicContact CD2-CZ 3.93Å; F116-F593 HydrophobicContact CE1-CZ 4.39Å; F116-F593 HydrophobicContact CE2-CD1 4.15Å; F116-F593 AromaticContact CE2-CE1 3.27Å; F116-F593 HydrophobicContact CE2-CE1 3.27Å; F116-F593 AromaticContact CE2-CZ 3.65Å; F116-F593 HydrophobicContact CE2-CZ 3.65Å; F116-F593 HydrophobicContact CG-CZ 4.43Å; F116-F593 AromaticContact CZ-CE1 3.67Å; F116-F593 HydrophobicContact CZ-CE1 3.67Å; F116-F593 AromaticContact CZ-CZ 3.9Å; F116-F593 HydrophobicContact CZ-CZ 3.9Å; P136-F593 HydrophobicContact CB-CZ 3.86Å; K137-F593 HydrophobicContact CB-CE1 4.4Å; K137-F593 WeakPolarHBondContact CD-O 3.22Å; K137-F593 WeakPolarHBondContact CG-O 3.45Å; H140-F593 HydrophobicContact CB-CD1 4.01Å; H140-F593 HydrophobicContact CB-CE1 3.89Å; D590-F593 HydrophobicContact CB-CB 4.36Å; D590-F593 PolarHBondContact O-N 3.27Å; P591-F593 VanDerWaalsContact C-N 3.27Å; P591-F593 PolarHBondContact O-N 3.14Å |
| 594 | S | 89.9 | Confident | 92.1 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.096 | C | C | . | . | trans | -126.6 | 97.7 | 155 | -168.2 | 0 | 0 | 0 | 0 | 110.7 | K137 E141 D590 R596 N597 | K137-S594 WeakPolarHBondContact CE-OG 3.39Å; K137-S594 PolarHBondContact NZ-OG 3.42Å; E141-S594 WeakPolarHBondContact OE1-CB 3.38Å; E141-S594 PolarHBondContact OE1-OG 2.82Å; D590-S594 PolarHBondContact O-N 3Å; S594-R596 PolarHBondContact O-N 3.49Å; S594-R596 VanDerWaalsContact O-N 3.07Å; S594-N597 WeakPolarHBondContact O-CB 3.35Å | ||
| 595 | P | 87.8 | Confident | 91.4 | Very high | 10 Ų | 10 | 24 Ų | 24 | 7% | 0.065 | 12% | 0.123 | C | C | . | . | S | Bend | trans | -66.3 | -7 | -179.7 | -23.5 | 33.2 | 0 | 0 | 0 | 115.7 | R98 A465 P591 N597 | R98-P595 PolarHBondContact NH2-O 3.04Å; A465-P595 HydrophobicContact CB-CB 3.53Å; A465-P595 HydrophobicContact CB-CG 3.47Å; A465-P595 VanDerWaalsContact CB-CG 3.47Å; P591-P595 WeakPolarHBondContact O-CA 3.49Å; P591-P595 WeakPolarHBondContact O-CG 3.33Å; P595-N597 VanDerWaalsContact C-N 3.26Å; P595-N597 PolarHBondContact O-N 3.31Å |
| 596 | R | 90.9 | Very high | 90.1 | Very high | 23 Ų | 23 | 28 Ų | 28 | 9% | 0.087 | 15% | 0.15 | C | C | . | . | trans | -92.6 | 62.5 | 169.3 | -85 | 55.3 | -92.3 | 177.6 | -1.3 | 107.9 | C404 A462 C463 H464 E565 F589 S594 | C404-R596 HydrophobicContact CB-CB 4.42Å; C404-R596 HydrophobicContact CB-CG 3.73Å; A462-R596 PolarHBondContact O-NH2 2.94Å; C463-R596 VanDerWaalsContact C-NH1 3.28Å; C463-R596 PolarHBondContact O-NH1 2.84Å; H464-R596 PolarHBondContact O-NH1 3.17Å; H464-R596 PolarHBondContact O-NH2 3.17Å; E565-R596 IonicContact OE1-NE 3.51Å; E565-R596 IonicContact OE1-NH2 2.7Å; E565-R596 IonicContact OE2-NH2 3.77Å; F589-R596 WeakPolarHBondContact CD2-O 3.33Å; S594-R596 PolarHBondContact O-N 3.49Å; S594-R596 VanDerWaalsContact O-N 3.07Å | ||
| 597 | N | 92.8 | Very high | 88.3 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 18% | 0.176 | C | C | . | . | trans | -94.8 | -13.3 | -156.8 | 104.4 | -71.2 | 0 | 0 | 0 | 114.5 | R98 P587 L588 F589 P591 S594 P595 | R98-N597 PolarHBondContact O-ND2 3.22Å; P587-N597 CarbonylContact C-O 3.2Å; L588-N597 PolarHBondContact N-O 3.41Å; F589-N597 HydrophobicContact CB-CB 4.12Å; F589-N597 PolarHBondContact N-O 2.91Å; F589-N597 WeakPolarHBondContact O-CB 3.48Å; F589-N597 PolarHBondContact O-ND2 3.02Å; P591-N597 HydrophobicContact CB-CB 4.16Å; S594-N597 WeakPolarHBondContact O-CB 3.35Å; P595-N597 VanDerWaalsContact C-N 3.26Å; P595-N597 PolarHBondContact O-N 3.31Å | ||
| 598 | L | 94.4 | Very high | 86 | Confident | 6 Ų | 6 | 42.6 Ų | 42.6 | 3% | 0.031 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 126.7 | 178.1 | -65.1 | 170.3 | 0 | 0 | 0 | 110.8 | F96 L569 V586 P587 | F96-L598 HydrophobicContact CB-CD1 3.88Å; L569-L598 HydrophobicContact CD1-CB 3.9Å; L569-L598 HydrophobicContact CD1-CD1 3.56Å; L569-L598 HydrophobicContact CD1-CG 4.38Å; V586-L598 WeakPolarHBondContact O-CA 3.24Å; P587-L598 HydrophobicContact CB-CD2 3.99Å |
| 599 | V | 96.5 | Very high | 83.5 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 126.9 | 176.4 | -177.2 | 0 | 0 | 0 | 0 | 108.9 | L145 L148 V402 L585 V586 L588 F589 | L145-V599 HydrophobicContact CD1-CG1 4.08Å; L148-V599 HydrophobicContact CD2-CG1 4.34Å; V402-V599 HydrophobicContact CG2-CB 4.49Å; V402-V599 HydrophobicContact CG2-CG1 4.07Å; V402-V599 HydrophobicContact CG2-CG2 3.86Å; L585-V599 WeakPolarHBondContact CA-O 3.12Å; V586-V599 PolarHBondContact N-O 3.45Å; V586-V599 PolarHBondContact O-N 2.85Å; L588-V599 HydrophobicContact CB-CB 4.43Å; L588-V599 HydrophobicContact CB-CG2 3.71Å; L588-V599 HydrophobicContact CD2-CB 4.48Å; L588-V599 HydrophobicContact CD2-CG2 3.76Å; L588-V599 HydrophobicContact CG-CG2 4.39Å; F589-V599 HydrophobicContact CE2-CG2 4.38Å; F589-V599 HydrophobicContact CZ-CG2 4.28Å |
| 600 | L | 97.3 | Very high | 81 | Confident | 2 Ų | 2 | 57.2 Ų | 57.2 | 1% | 0.01 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 125.1 | 172 | -175.7 | 156 | 0 | 0 | 0 | 109.1 | L387 I399 T400 S401 R572 L576 L585 | L387-L600 HydrophobicContact CD2-CD1 4.47Å; L387-L600 HydrophobicContact CD2-CD2 3.96Å; I399-L600 HydrophobicContact CG2-CD2 4.46Å; T400-L600 CarbonylContact C-O 3.59Å; T400-L600 WeakPolarHBondContact CA-O 3.23Å; S401-L600 PolarHBondContact N-O 3.41Å; S401-L600 PolarHBondContact O-N 3.22Å; R572-L600 HydrophobicContact CB-CD1 3.63Å; L576-L600 HydrophobicContact CD1-CD2 3.95Å; L585-L600 HydrophobicContact CD2-CB 3.9Å; L585-L600 HydrophobicContact CD2-CG 4.47Å |
| 601 | M | 96.4 | Very high | 78.7 | Confident | 25 Ų | 25 | 64.2 Ų | 64.2 | 12% | 0.123 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 140.5 | 173.4 | -172.6 | -162.1 | -62.1 | 0 | 0 | 110.1 | L148 L152 I399 T400 S583 Q584 V586 | L148-M601 HydrophobicContact CD1-CE 3.58Å; L148-M601 HydrophobicContact CD2-CE 3.84Å; L148-M601 HydrophobicContact CG-CE 3.83Å; L152-M601 HydrophobicContact CD1-CE 3.86Å; L152-M601 HydrophobicContact CD1-CG 4.05Å; L152-M601 HydrophobicContact CD1-SD 3.93Å; L152-M601 HydrophobicContact CD2-CG 4.16Å; L152-M601 HydrophobicContact CG-CG 4.44Å; L152-M601 HydrophobicContact CG-SD 4.48Å; I399-M601 WeakPolarHBondContact O-CA 3.4Å; T400-M601 HydrophobicContact CG2-CG 4.39Å; S583-M601 CarbonylContact C-O 3.52Å; S583-M601 VanDerWaalsContact CA-O 3.27Å; S583-M601 WeakPolarHBondContact CA-O 3.36Å; S583-M601 WeakPolarHBondContact CB-O 3.48Å; Q584-M601 PolarHBondContact N-O 3.26Å; Q584-M601 PolarHBondContact O-N 3.03Å; V586-M601 HydrophobicContact CG2-CE 4.13Å |
| 602 | A | 96.4 | Very high | 76.3 | Confident | 3 Ų | 3 | 69.3 Ų | 69.3 | 3% | 0.025 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 156.3 | 165 | 0 | 0 | 0 | 0 | 0 | 111.3 | F390 G398 I399 L576 I581 | F390-A602 HydrophobicContact CE1-CB 3.59Å; F390-A602 HydrophobicContact CZ-CB 3.74Å; G398-A602 CarbonylContact C-O 3.59Å; G398-A602 VanDerWaalsContact CA-O 3.25Å; G398-A602 WeakPolarHBondContact CA-O 3.47Å; I399-A602 HydrophobicContact CG2-CB 3.86Å; I399-A602 PolarHBondContact N-O 2.8Å; I399-A602 PolarHBondContact O-N 3.37Å; I399-A602 VanDerWaalsContact O-N 3.14Å; L576-A602 HydrophobicContact CD1-CB 3.74Å; I581-A602 HydrophobicContact CG2-CB 4Å |
| 603 | L | 94.8 | Very high | 73.9 | Confident | 60 Ų | 60 | 77.7 Ų | 77.7 | 31% | 0.314 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 141.3 | 176.5 | -66 | 179.8 | 0 | 0 | 0 | 109.9 | L152 T156 | L152-L603 HydrophobicContact CD2-CD2 3.84Å; L152-L603 HydrophobicContact CG-CD2 4.01Å; T156-L603 HydrophobicContact CG2-CD2 3.89Å |
| 604 | K | 92.7 | Very high | 71.4 | Confident | 40 Ų | 40 | 81.5 Ų | 81.5 | 17% | 0.174 | 41% | 0.409 | C | S | . | . | P | Polyproline II helix | trans | -84.1 | 131.1 | 164.5 | -65.6 | -168 | -175.2 | -175.6 | 0 | 109.3 | F390 V391 C393 V396 R397 | F390-K604 HydrophobicContact CE2-CG 3.86Å; F390-K604 HydrophobicContact CZ-CG 4.11Å; F390-K604 WeakPolarHBondContact O-CE 3.47Å; F390-K604 PolarHBondContact O-NZ 3.04Å; V391-K604 PolarHBondContact O-NZ 2.97Å; C393-K604 PolarHBondContact O-NZ 3.27Å; V396-K604 WeakPolarHBondContact O-CD 3.47Å; R397-K604 PolarHBondContact NH2-O 3.14Å; R397-K604 PolarHBondContact O-N 3.01Å |
| 605 | Q | 78.9 | Confident | 69 | Low | 160 Ų | 160 | 87.4 Ų | 87.4 | 75% | 0.748 | 45% | 0.446 | S | S | * | . | P | Polyproline II helix | trans | -57.1 | 147.7 | 167.2 | -69.8 | -170.6 | -9.6 | 0 | 0 | 110.1 | R397 T607 | R397-Q605 PolarHBondContact NH2-O 3.38Å; Q605-T607 PolarHBondContact O-N 3.37Å |
| 606 | P | 66.7 | Low | 66.1 | Low | 104 Ų | 104 | 94.7 Ų | 94.7 | 68% | 0.675 | 48% | 0.483 | S | S | * | . | P | Polyproline II helix | trans | -48.9 | 129.8 | 167.6 | -26.8 | 35.6 | 0 | 0 | 0 | 109.4 | R608 | P606-R608 VanDerWaalsContact C-N 3.3Å; P606-R608 PolarHBondContact O-N 3.27Å |
| 607 | T | 55.9 | Low | 63.5 | Low | 104 Ų | 104 | 102.9 Ų | 102.9 | 64% | 0.638 | 54% | 0.539 | S | S | * | . | trans | -62.8 | 100.9 | 162.7 | 33.1 | 0 | 0 | 0 | 0 | 105.7 | Q605 D609 | Q605-T607 PolarHBondContact O-N 3.37Å; T607-D609 PolarHBondContact O-N 2.72Å | ||
| 608 | R | 43.4 | Very low | 62 | Low | 236 Ų | 236 | 108 Ų | 108 | 89% | 0.891 | 57% | 0.566 | S | S | * | * | trans | -65.3 | 116.1 | 160.4 | -71.6 | -175.6 | 176.6 | -172.6 | -2.7 | 105.5 | P606 | P606-R608 VanDerWaalsContact C-N 3.3Å; P606-R608 PolarHBondContact O-N 3.27Å | ||
| 609 | D | 41.5 | Very low | 60.3 | Low | 129 Ų | 129 | 113.4 Ų | 113.4 | 69% | 0.69 | 59% | 0.594 | S | S | * | * | trans | -57.4 | 142.5 | 179.2 | -54.4 | -64.8 | 0 | 0 | 0 | 109.6 | T607 E611 | T607-D609 PolarHBondContact O-N 2.72Å; D609-E611 PolarHBondContact O-N 2.72Å | ||
| 610 | K | 38.5 | Very low | 58.3 | Low | 213 Ų | 213 | 119.7 Ų | 119.7 | 93% | 0.926 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -78.9 | 42.3 | 178.4 | -73.8 | -167.5 | 171.4 | -169.2 | 0 | 111.5 | ||
| 611 | E | 41.2 | Very low | 56 | Low | 167 Ų | 167 | 126.6 Ų | 126.6 | 78% | 0.78 | 66% | 0.663 | S | S | * | * | trans | -127 | 59 | -176 | -63.9 | -160.3 | 159.9 | 0 | 0 | 110.7 | D609 | D609-E611 PolarHBondContact O-N 2.72Š| ||
| 612 | T | 36 | Very low | 53.4 | Low | 126 Ų | 126 | 132.9 Ų | 132.9 | 77% | 0.773 | 70% | 0.697 | S | S | * | * | trans | -166.2 | 45.3 | 151.1 | 10.6 | 0 | 0 | 0 | 0 | 112.3 | C614 | T612-C614 PolarHBondContact O-N 2.82Š| ||
| 613 | E | 34.7 | Very low | 50.6 | Low | 195 Ų | 195 | 141.6 Ų | 141.6 | 91% | 0.911 | 74% | 0.742 | S | S | * | * | trans | -83.9 | 45.2 | 152.4 | -160.3 | 156.6 | -128 | 0 | 0 | 109.5 | T615 | E613-T615 PolarHBondContact O-N 2.99Å; E613-T615 VanDerWaalsContact O-N 3.13Å | ||
| 614 | C | 32.3 | Very low | 47.4 | Very low | 108 Ų | 108 | 147.4 Ų | 147.4 | 73% | 0.73 | 77% | 0.773 | S | S | * | * | trans | -74.5 | 100.1 | 171.7 | -72.5 | 0 | 0 | 0 | 0 | 108.2 | T612 L616 | T612-C614 PolarHBondContact O-N 2.82Å; C614-L616 PolarHBondContact O-N 2.85Å | ||
| 615 | T | 40.2 | Very low | 43.9 | Very low | 125 Ų | 125 | 155.7 Ų | 155.7 | 77% | 0.767 | 82% | 0.819 | S | S | * | * | trans | -46.1 | 134.4 | 160.1 | 49.8 | 0 | 0 | 0 | 0 | 111.1 | E613 | E613-T615 PolarHBondContact O-N 2.99Å; E613-T615 VanDerWaalsContact O-N 3.13Å | ||
| 616 | L | 26.4 | Very low | 41 | Very low | 162 Ų | 162 | 155.3 Ų | 155.3 | 85% | 0.848 | 83% | 0.825 | S | S | * | * | trans | 161.9 | 141.8 | 139.2 | -90.3 | 162.2 | 0 | 0 | 0 | 110.7 | C614 | C614-L616 PolarHBondContact O-N 2.85Š| ||
| 617 | P | 35.5 | Very low | 38.7 | Very low | 195 Ų | 195 | 160 Ų | 160 | 100% | 1.266 | 84% | 0.838 | S | S | * | * | cis | -111.2 | 0 | -28.9 | 19.9 | 0.7 | 0 | 0 | 0 | 113 |
Retrieved 617 of 617 residues in 645.6 ms
(Link to these results)