| 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 | 34.1 | Very low | 49.2 | Very low | 244 Ų | 244 | 121.9 Ų | 121.9 | 100% | 1.202 | 68% | 0.675 | S | S | * | * | 0 | 100.2 | 0 | -65.9 | -179.7 | -173 | 0 | 0 | 109.7 | |||||
| 2 | V | 30.9 | Very low | 52.3 | Low | 135 Ų | 135 | 112.9 Ų | 112.9 | 82% | 0.818 | 63% | 0.625 | S | S | * | * | trans | -144.3 | 114.1 | 168.4 | 179.8 | 0 | 0 | 0 | 0 | 108.1 | S4 | V2-S4 PolarHBondContact O-N 2.87Š| ||
| 3 | N | 32.6 | Very low | 55.4 | Low | 150 Ų | 150 | 105.2 Ų | 105.2 | 80% | 0.802 | 58% | 0.582 | S | S | * | * | trans | 35.7 | 73.9 | 165.5 | -67.9 | -8.6 | 0 | 0 | 0 | 119.4 | A5 | N3-A5 PolarHBondContact O-N 3.13Å; N3-A5 VanDerWaalsContact O-N 3.13Å | ||
| 4 | S | 39 | Very low | 58.1 | Low | 116 Ų | 116 | 104.1 Ų | 104.1 | 81% | 0.811 | 58% | 0.58 | S | S | * | * | trans | -79.2 | 60.3 | 144.7 | 50.6 | 0 | 0 | 0 | 0 | 110.2 | V2 | V2-S4 PolarHBondContact O-N 2.87Š| ||
| 5 | A | 41.2 | Very low | 60.5 | Low | 71 Ų | 71 | 105.4 Ų | 105.4 | 59% | 0.587 | 57% | 0.573 | S | S | * | * | trans | -60.2 | 142.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | N3 R7 | N3-A5 PolarHBondContact O-N 3.13Å; N3-A5 VanDerWaalsContact O-N 3.13Å; A5-R7 PolarHBondContact O-N 2.89Å | ||
| 6 | S | 46.3 | Very low | 62.7 | Low | 119 Ų | 119 | 105.8 Ų | 105.8 | 83% | 0.832 | 56% | 0.563 | S | S | * | * | trans | -59.8 | 90.5 | -169.1 | 59.4 | 0 | 0 | 0 | 0 | 113 | T8 | S6-T8 PolarHBondContact O-N 3.05Š| ||
| 7 | R | 53.8 | Low | 64.7 | Low | 143 Ų | 143 | 100.5 Ų | 100.5 | 54% | 0.54 | 54% | 0.537 | S | S | . | . | trans | -67.3 | 120 | 164.9 | -69 | -178.1 | -178.9 | 157.8 | 4.1 | 107.1 | A5 Q11 L12 D243 | A5-R7 PolarHBondContact O-N 2.89Å; R7-Q11 HydrophobicContact CB-CB 4.27Å; R7-L12 HydrophobicContact CB-CD1 4.27Å; R7-L12 HydrophobicContact CB-CD2 4.42Å; R7-L12 HydrophobicContact CB-CG 4.21Å; R7-D243 IonicContact NH1-OD1 3.87Å | ||
| 8 | T | 61.5 | Low | 66.3 | Low | 75 Ų | 75 | 100.2 Ų | 100.2 | 46% | 0.46 | 54% | 0.535 | S | S | . | . | trans | -63.9 | 153.4 | 171.7 | 48.7 | 0 | 0 | 0 | 0 | 109.5 | S6 E10 Q11 | S6-T8 PolarHBondContact O-N 3.05Å; T8-E10 PolarHBondContact O-N 3.07Å; T8-E10 VanDerWaalsContact O-N 3.12Å; T8-Q11 WeakPolarHBondContact O-CA 3.45Å; T8-Q11 VanDerWaalsContact O-CB 3.26Å; T8-Q11 WeakPolarHBondContact O-CB 3.42Å; T8-Q11 PolarHBondContact O-N 2.74Å; T8-Q11 WeakPolarHBondContact OG1-CG 3.18Å; T8-Q11 PolarHBondContact OG1-NE2 3.41Å | ||
| 9 | I | 62.9 | Low | 67.8 | Low | 57 Ų | 57 | 100 Ų | 100 | 29% | 0.292 | 54% | 0.542 | S | S | . | . | G | 310 helix | trans | -55.7 | -36.1 | -175.1 | -58.4 | 167 | 0 | 0 | 0 | 111.4 | Q11 L12 V13 E234 A235 T238 | I9-Q11 PolarHBondContact O-N 3.23Å; I9-Q11 VanDerWaalsContact O-N 3.14Å; I9-L12 PolarHBondContact O-N 3.49Å; I9-V13 HydrophobicContact CG2-CG2 4.22Å; I9-V13 PolarHBondContact O-N 2.73Å; I9-E234 HydrophobicContact CG2-CG 3.91Å; I9-E234 VanDerWaalsContact CG2-OE1 3.26Å; I9-E234 WeakPolarHBondContact CG2-OE1 3.44Å; I9-A235 HydrophobicContact CD1-CB 3.6Å; I9-T238 HydrophobicContact CG2-CG2 4.37Å |
| 10 | E | 64.1 | Low | 69.3 | Low | 139 Ų | 139 | 95.8 Ų | 95.8 | 65% | 0.65 | 52% | 0.519 | S | S | * | . | G | 310 helix | trans | -60.5 | -19.1 | 173.8 | -57.7 | -177.6 | 149.4 | 0 | 0 | 114.5 | T8 R36 | T8-E10 PolarHBondContact O-N 3.07Å; T8-E10 VanDerWaalsContact O-N 3.12Å; E10-R36 PolarHBondContact O-NH2 2.67Å |
| 11 | Q | 74.4 | Confident | 70.6 | Confident | 92 Ų | 92 | 94.6 Ų | 94.6 | 43% | 0.43 | 51% | 0.512 | S | S | . | . | G | 310 helix | trans | -86.1 | -8.1 | 174.3 | -61.7 | 177.9 | 7.6 | 0 | 0 | 113.4 | R7 T8 I9 R36 | R7-Q11 HydrophobicContact CB-CB 4.27Å; T8-Q11 WeakPolarHBondContact O-CA 3.45Å; T8-Q11 VanDerWaalsContact O-CB 3.26Å; T8-Q11 WeakPolarHBondContact O-CB 3.42Å; T8-Q11 PolarHBondContact O-N 2.74Å; T8-Q11 WeakPolarHBondContact OG1-CG 3.18Å; T8-Q11 PolarHBondContact OG1-NE2 3.41Å; I9-Q11 PolarHBondContact O-N 3.23Å; I9-Q11 VanDerWaalsContact O-N 3.14Å; Q11-R36 WeakPolarHBondContact O-CD 3.27Å; Q11-R36 VanDerWaalsContact O-CZ 3.32Å; Q11-R36 PolarHBondContact O-NE 3.39Å; Q11-R36 VanDerWaalsContact O-NE 3.09Å |
| 12 | L | 86.8 | Confident | 73.6 | Confident | 14 Ų | 14 | 86.4 Ų | 86.4 | 7% | 0.073 | 47% | 0.469 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -117.4 | -18.1 | -176 | -65.5 | 177.2 | 0 | 0 | 0 | 113.8 | R7 I9 L35 R36 | R7-L12 HydrophobicContact CB-CD1 4.27Å; R7-L12 HydrophobicContact CB-CD2 4.42Å; R7-L12 HydrophobicContact CB-CG 4.21Å; I9-L12 PolarHBondContact O-N 3.49Å; L12-L35 CarbonylContact O-C 3.56Å; L12-L35 WeakPolarHBondContact O-CA 3.32Å; L12-R36 PolarHBondContact O-N 3.49Å |
| 13 | V | 92.7 | Very high | 76.8 | Confident | 12 Ų | 12 | 80.4 Ų | 80.4 | 7% | 0.073 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 135.8 | 176.8 | -176.4 | 0 | 0 | 0 | 0 | 110.8 | I9 R15 R16 L33 L35 T238 | I9-V13 HydrophobicContact CG2-CG2 4.22Å; I9-V13 PolarHBondContact O-N 2.73Å; V13-R15 VanDerWaalsContact CG1-O 3.29Å; V13-R15 WeakPolarHBondContact CG1-O 3.08Å; V13-R16 HydrophobicContact CG1-CG 3.75Å; V13-L33 HydrophobicContact CG1-CD2 4.17Å; V13-L35 HydrophobicContact CG2-CD2 4.13Å; V13-T238 HydrophobicContact CG2-CG2 3.67Å |
| 14 | T | 92.8 | Very high | 79.7 | Confident | 90 Ų | 90 | 77.5 Ų | 77.5 | 55% | 0.552 | 42% | 0.423 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96 | -44.3 | 175.3 | -49.1 | 0 | 0 | 0 | 0 | 111.4 | E34 L35 R36 | T14-E34 WeakPolarHBondContact CA-O 3.32Å; T14-E34 WeakPolarHBondContact CB-O 3.24Å; T14-E34 PolarHBondContact N-O 3.45Å; T14-L35 PolarHBondContact OG1-O 3.06Å; T14-R36 VanDerWaalsContact OG1-CA 3.26Å; T14-R36 WeakPolarHBondContact OG1-CA 3.26Å; T14-R36 PolarHBondContact OG1-N 2.79Å |
| 15 | R | 94.9 | Very high | 82.3 | Confident | 124 Ų | 124 | 75.1 Ų | 75.1 | 47% | 0.468 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 142.3 | -178.4 | 177.6 | 178.9 | 168.2 | -177.2 | -5.6 | 110 | V13 L33 E34 E413 | V13-R15 VanDerWaalsContact CG1-O 3.29Å; V13-R15 WeakPolarHBondContact CG1-O 3.08Å; R15-L33 WeakPolarHBondContact O-CA 3.47Å; R15-E34 HydrophobicContact CB-CB 4.02Å; R15-E34 PolarHBondContact N-O 2.94Å; R15-E34 PolarHBondContact O-N 3.27Å; R15-E413 IonicContact CZ-OE1 2.76Å; R15-E413 IonicContact NE-OE1 3.53Å; R15-E413 VanDerWaalsContact NH2-CD 3.29Å; R15-E413 IonicContact NH2-OE1 2.75Å; R15-E413 PolarHBondContact NH2-OE1 3.2Å; R15-E413 IonicContact NH2-OE2 3.62Å; R15-E413 PolarHBondContact NH2-OE2 3.3Å |
| 16 | R | 95.6 | Very high | 84.9 | Confident | 112 Ų | 112 | 72.9 Ų | 72.9 | 42% | 0.423 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 149.8 | 169.1 | -61.3 | -173.1 | 176.4 | 112.2 | -2.1 | 109.4 | V13 G32 L33 E234 | V13-R16 HydrophobicContact CG1-CG 3.75Å; R16-G32 CarbonylContact C-O 3.51Å; R16-G32 WeakPolarHBondContact CA-O 3.38Å; R16-L33 HydrophobicContact CB-CD2 4.29Å; R16-L33 HydrophobicContact CG-CD2 3.76Å; R16-E234 IonicContact CZ-OE1 2.72Å; R16-E234 IonicContact NE-OE1 3.45Å; R16-E234 PolarHBondContact NE-OE1 3.49Å; R16-E234 IonicContact NE-OE2 3.84Å; R16-E234 PolarHBondContact NE-OE2 3.21Å; R16-E234 IonicContact NH2-OE1 2.98Å; R16-E234 PolarHBondContact NH2-OE1 3.27Å |
| 17 | S | 95.9 | Very high | 87.2 | Confident | 16 Ų | 16 | 74.6 Ų | 74.6 | 11% | 0.112 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 106.6 | 175.4 | -163 | 0 | 0 | 0 | 0 | 110.9 | I20 G32 E413 | S17-I20 WeakPolarHBondContact O-CD1 3.16Å; S17-G32 PolarHBondContact N-O 2.76Å; S17-G32 PolarHBondContact O-N 2.82Å; S17-E413 WeakPolarHBondContact CB-OE1 3.42Å; S17-E413 WeakPolarHBondContact OG-CG 3.48Å; S17-E413 PolarHBondContact OG-OE1 3.46Å |
| 18 | D | 94.3 | Very high | 89.3 | Confident | 94 Ų | 94 | 68.4 Ų | 68.4 | 50% | 0.503 | 35% | 0.346 | S | S | . | . | trans | -87.7 | -8.3 | 174.7 | -59.8 | -61.3 | 0 | 0 | 0 | 112.4 | I20 R31 | D18-I20 PolarHBondContact O-N 2.72Å; D18-R31 WeakPolarHBondContact OD1-CG 3.46Å; D18-R31 IonicContact OD1-CZ 2.87Å; D18-R31 IonicContact OD1-NE 3.09Å; D18-R31 PolarHBondContact OD1-NE 3.16Å; D18-R31 IonicContact OD1-NH2 2.73Å | ||
| 19 | S | 94.1 | Very high | 91 | Very high | 97 Ų | 97 | 69.2 Ų | 69.2 | 68% | 0.678 | 35% | 0.347 | S | S | * | . | trans | -85.9 | 50.1 | -175.2 | -62.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 20 | I | 97.9 | Very high | 92.7 | Very high | 15 Ų | 15 | 67 Ų | 67 | 8% | 0.077 | 34% | 0.336 | C | S | . | . | trans | -79.1 | 124 | 179.4 | -47.1 | -54 | 0 | 0 | 0 | 109.8 | S17 D18 K22 L42 L416 | S17-I20 WeakPolarHBondContact O-CD1 3.16Å; D18-I20 PolarHBondContact O-N 2.72Å; I20-K22 PolarHBondContact O-N 3.26Å; I20-K22 VanDerWaalsContact O-N 3.15Å; I20-L42 HydrophobicContact CD1-CD1 4.49Å; I20-L42 HydrophobicContact CG1-CD1 4.4Å; I20-L416 HydrophobicContact CG2-CD1 3.76Å; I20-L416 HydrophobicContact CG2-CG 4.18Å | ||
| 21 | I | 97.5 | Very high | 94.3 | Very high | 72 Ų | 72 | 61.6 Ų | 61.6 | 37% | 0.369 | 31% | 0.309 | S | S | . | . | trans | -72.7 | 107.7 | -179.5 | -57.7 | 171.5 | 0 | 0 | 0 | 109.1 | E413 E414 L416 F417 | I21-E413 PolarHBondContact N-O 2.88Å; I21-E414 HydrophobicContact CD1-CG 4.25Å; I21-L416 WeakPolarHBondContact O-CB 3.31Å; I21-F417 HydrophobicContact CB-CB 4.37Å; I21-F417 HydrophobicContact CG2-CB 3.93Å; I21-F417 HydrophobicContact CG2-CD1 4.19Å; I21-F417 HydrophobicContact CG2-CG 4.18Å | ||
| 22 | K | 97.2 | Very high | 95.5 | Very high | 71 Ų | 71 | 57.3 Ų | 57.3 | 31% | 0.309 | 29% | 0.289 | S | S | . | . | trans | -119.9 | 167.5 | 178.4 | 64.8 | 168.7 | -178.9 | 160.5 | 0 | 112.2 | I20 D26 R28 Y30 L416 | I20-K22 PolarHBondContact O-N 3.26Å; I20-K22 VanDerWaalsContact O-N 3.15Å; K22-D26 HydrophobicContact CD-CB 4.31Å; K22-D26 PolarHBondContact NZ-O 2.75Å; K22-R28 PolarHBondContact NZ-O 2.71Å; K22-Y30 HydrophobicContact CB-CE2 4.39Å; K22-Y30 HydrophobicContact CD-CD2 3.97Å; K22-Y30 HydrophobicContact CD-CE2 4.02Å; K22-L416 HydrophobicContact CB-CD1 3.69Å | ||
| 23 | S | 96.9 | Very high | 96 | Very high | 10 Ų | 10 | 56.8 Ų | 56.8 | 7% | 0.07 | 29% | 0.287 | C | S | . | . | trans | -61.1 | 141.7 | 170.7 | 168.1 | 0 | 0 | 0 | 0 | 111.3 | E25 D26 F388 R389 | S23-E25 PolarHBondContact O-N 3.41Å; S23-E25 PolarHBondContact OG-N 3.32Å; S23-D26 WeakPolarHBondContact O-CB 3.29Å; S23-D26 PolarHBondContact O-N 2.68Å; S23-F388 WeakPolarHBondContact CB-O 3.49Å; S23-R389 PolarHBondContact OG-O 3.07Å | ||
| 24 | P | 94.5 | Very high | 96.2 | Very high | 89 Ų | 89 | 59.9 Ų | 59.9 | 58% | 0.578 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -28.3 | 169.1 | -24 | 34.1 | 0 | 0 | 0 | 113.8 | D26 K27 | P24-D26 VanDerWaalsContact C-N 3.33Å; P24-K27 PolarHBondContact O-NZ 3.02Å |
| 25 | E | 94 | Very high | 96.3 | Very high | 65 Ų | 65 | 55.7 Ų | 55.7 | 30% | 0.304 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -16.5 | 179.7 | -46.9 | -50.2 | 162.6 | 0 | 0 | 112.1 | S23 K27 R389 F390 L534 | S23-E25 PolarHBondContact O-N 3.41Å; S23-E25 PolarHBondContact OG-N 3.32Å; E25-K27 WeakPolarHBondContact O-CD 3.46Å; E25-K27 WeakPolarHBondContact O-CE 3.44Å; E25-K27 PolarHBondContact O-N 3.1Å; E25-K27 PolarHBondContact O-NZ 2.95Å; E25-K27 IonicContact OE2-NZ 2.7Å; E25-R389 HydrophobicContact CG-CG 4.4Å; E25-R389 WeakPolarHBondContact CG-O 3.43Å; E25-R389 IonicContact OE1-CZ 3.08Å; E25-R389 IonicContact OE1-NE 2.73Å; E25-R389 PolarHBondContact OE1-NE 2.72Å; E25-R389 IonicContact OE1-NH2 3.25Å; E25-R389 PolarHBondContact OE1-NH2 3.03Å; E25-F390 HydrophobicContact CG-CD1 4.21Å; E25-F390 HydrophobicContact CG-CE1 4.41Å; E25-L534 HydrophobicContact CB-CD2 4.38Å; E25-L534 HydrophobicContact CG-CD2 4.45Å |
| 26 | D | 95 | Very high | 96.3 | Very high | 24 Ų | 24 | 57 Ų | 57 | 13% | 0.128 | 28% | 0.279 | C | S | . | . | trans | -79 | 116.9 | -179.2 | -166.3 | -15.3 | 0 | 0 | 0 | 112.3 | K22 S23 P24 R28 Y30 | K22-D26 HydrophobicContact CD-CB 4.31Å; K22-D26 PolarHBondContact NZ-O 2.75Å; S23-D26 WeakPolarHBondContact O-CB 3.29Å; S23-D26 PolarHBondContact O-N 2.68Å; P24-D26 VanDerWaalsContact C-N 3.33Å; D26-R28 VanDerWaalsContact OD1-CB 3.27Å; D26-R28 WeakPolarHBondContact OD1-CB 3.43Å; D26-R28 WeakPolarHBondContact OD1-CG 3.12Å; D26-R28 IonicContact OD1-CZ 3.97Å; D26-R28 PolarHBondContact OD1-N 3.41Å; D26-R28 IonicContact OD1-NE 2.85Å; D26-R28 PolarHBondContact OD1-NE 2.71Å; D26-R28 IonicContact OD1-NH2 2.73Å; D26-R28 IonicContact OD2-CZ 3.48Å; D26-R28 VanDerWaalsContact OD2-CZ 3.28Å; D26-R28 IonicContact OD2-NE 3.79Å; D26-R28 PolarHBondContact OD2-NE 2.96Å; D26-R28 VanDerWaalsContact OD2-NE 3.07Å; D26-R28 IonicContact OD2-NH2 2.86Å; D26-R28 PolarHBondContact OD2-NH2 2.95Å; D26-Y30 PolarHBondContact OD2-OH 2.88Å; D26-Y30 VanDerWaalsContact OD2-OH 3.06Å | ||
| 27 | K | 94.4 | Very high | 96.3 | Very high | 156 Ų | 156 | 52.4 Ų | 52.4 | 68% | 0.678 | 26% | 0.263 | S | S | * | . | trans | -90.6 | -6.2 | -177.7 | -46.6 | -50 | 171.3 | -159.1 | 0 | 113.5 | P24 E25 | P24-K27 PolarHBondContact O-NZ 3.02Å; E25-K27 WeakPolarHBondContact O-CD 3.46Å; E25-K27 WeakPolarHBondContact O-CE 3.44Å; E25-K27 PolarHBondContact O-N 3.1Å; E25-K27 PolarHBondContact O-NZ 2.95Å; E25-K27 IonicContact OE2-NZ 2.7Å | ||
| 28 | R | 97 | Very high | 96.3 | Very high | 13 Ų | 13 | 52.6 Ų | 52.6 | 5% | 0.049 | 27% | 0.267 | C | S | . | . | trans | -66.8 | 149 | 174.3 | -61.1 | 171.8 | -72.8 | -161.5 | 5.7 | 110.6 | K22 D26 Y30 V44 S45 D46 E394 | K22-R28 PolarHBondContact NZ-O 2.71Å; D26-R28 VanDerWaalsContact OD1-CB 3.27Å; D26-R28 WeakPolarHBondContact OD1-CB 3.43Å; D26-R28 WeakPolarHBondContact OD1-CG 3.12Å; D26-R28 IonicContact OD1-CZ 3.97Å; D26-R28 PolarHBondContact OD1-N 3.41Å; D26-R28 IonicContact OD1-NE 2.85Å; D26-R28 PolarHBondContact OD1-NE 2.71Å; D26-R28 IonicContact OD1-NH2 2.73Å; D26-R28 IonicContact OD2-CZ 3.48Å; D26-R28 VanDerWaalsContact OD2-CZ 3.28Å; D26-R28 IonicContact OD2-NE 3.79Å; D26-R28 PolarHBondContact OD2-NE 2.96Å; D26-R28 VanDerWaalsContact OD2-NE 3.07Å; D26-R28 IonicContact OD2-NH2 2.86Å; D26-R28 PolarHBondContact OD2-NH2 2.95Å; R28-Y30 HydrophobicContact CB-CD2 4.48Å; R28-Y30 HydrophobicContact CB-CE2 3.67Å; R28-Y30 PolarHBondContact NE-OH 3.14Å; R28-Y30 PolarHBondContact NH2-OH 3.3Å; R28-V44 HydrophobicContact CB-CG1 4.09Å; R28-V44 HydrophobicContact CG-CG1 4.49Å; R28-S45 WeakPolarHBondContact CA-O 3.47Å; R28-D46 HydrophobicContact CG-CB 4.01Å; R28-E394 IonicContact CZ-OE2 3.9Å; R28-E394 VanDerWaalsContact CZ-OE2 3.26Å; R28-E394 IonicContact NH1-OE2 2.91Å; R28-E394 PolarHBondContact NH1-OE2 2.85Å; R28-E394 IonicContact NH2-OE2 3.93Å; R28-E394 PolarHBondContact NH2-OE2 3.45Å | ||
| 29 | L | 98.2 | Very high | 96.5 | Very high | 91 Ų | 91 | 48.1 Ų | 48.1 | 48% | 0.476 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 148.8 | 173.3 | -53.7 | 177.7 | 0 | 0 | 0 | 109.5 | V44 S45 L230 | L29-V44 CarbonylContact O-C 3.56Å; L29-V44 WeakPolarHBondContact O-CA 3.44Å; L29-S45 PolarHBondContact N-O 3.34Å; L29-S45 PolarHBondContact O-N 3.45Å; L29-L230 HydrophobicContact CB-CD1 3.86Å; L29-L230 HydrophobicContact CB-CG 4.27Å |
| 30 | Y | 98.7 | Very high | 96.7 | Very high | 12 Ų | 12 | 46.2 Ų | 46.2 | 5% | 0.047 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 141.2 | -173.2 | -66.6 | -95.2 | 0 | 0 | 0 | 111.1 | K22 D26 R28 L42 L43 V44 L416 | K22-Y30 HydrophobicContact CB-CE2 4.39Å; K22-Y30 HydrophobicContact CD-CD2 3.97Å; K22-Y30 HydrophobicContact CD-CE2 4.02Å; D26-Y30 PolarHBondContact OD2-OH 2.88Å; D26-Y30 VanDerWaalsContact OD2-OH 3.06Å; R28-Y30 HydrophobicContact CB-CD2 4.48Å; R28-Y30 HydrophobicContact CB-CE2 3.67Å; R28-Y30 PolarHBondContact NE-OH 3.14Å; R28-Y30 PolarHBondContact NH2-OH 3.3Å; Y30-L42 HydrophobicContact CD1-CD1 4.47Å; Y30-L42 HydrophobicContact CD1-CD2 4.44Å; Y30-L43 VanDerWaalsContact CA-O 3.28Å; Y30-L43 WeakPolarHBondContact CA-O 3.27Å; Y30-V44 HydrophobicContact CD1-CB 4.34Å; Y30-V44 HydrophobicContact CD1-CG1 4.1Å; Y30-V44 HydrophobicContact CD1-CG2 3.74Å; Y30-V44 HydrophobicContact CE1-CB 4.16Å; Y30-V44 HydrophobicContact CE1-CG1 3.59Å; Y30-V44 HydrophobicContact CE1-CG2 3.58Å; Y30-L416 HydrophobicContact CD1-CD1 4.01Å; Y30-L416 HydrophobicContact CD2-CD1 4.18Å; Y30-L416 HydrophobicContact CE1-CD1 3.79Å; Y30-L416 HydrophobicContact CE1-CD2 3.89Å; Y30-L416 HydrophobicContact CE1-CG 4.4Å; Y30-L416 HydrophobicContact CE2-CD1 3.97Å; Y30-L416 HydrophobicContact CG-CD1 4.2Å |
| 31 | R | 98.4 | Very high | 96.7 | Very high | 25 Ų | 25 | 45.5 Ų | 45.5 | 9% | 0.094 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 124.8 | 167.6 | -179.9 | 177.9 | -66.4 | 159.7 | 5 | 110 | D18 L33 L43 L230 D231 E234 | D18-R31 WeakPolarHBondContact OD1-CG 3.46Å; D18-R31 IonicContact OD1-CZ 2.87Å; D18-R31 IonicContact OD1-NE 3.09Å; D18-R31 PolarHBondContact OD1-NE 3.16Å; D18-R31 IonicContact OD1-NH2 2.73Å; R31-L33 HydrophobicContact CG-CD2 3.85Å; R31-L33 HydrophobicContact CG-CG 4.31Å; R31-L43 HydrophobicContact CB-CB 4.44Å; R31-L43 PolarHBondContact N-O 2.63Å; R31-L43 PolarHBondContact O-N 3.05Å; R31-L230 HydrophobicContact CB-CB 4.47Å; R31-L230 HydrophobicContact CB-CD1 4.14Å; R31-L230 HydrophobicContact CB-CD2 4.06Å; R31-L230 HydrophobicContact CB-CG 4.45Å; R31-D231 IonicContact CZ-OD1 2.72Å; R31-D231 VanDerWaalsContact CZ-OD1 3.23Å; R31-D231 IonicContact NH1-OD1 2.68Å; R31-D231 PolarHBondContact NH1-OD1 3.14Å; R31-D231 IonicContact NH2-OD1 3.13Å; R31-D231 PolarHBondContact NH2-OD1 3.09Å; R31-E234 VanDerWaalsContact CD-OE2 3.29Å; R31-E234 WeakPolarHBondContact CD-OE2 3.33Å; R31-E234 IonicContact CZ-OE2 2.77Å; R31-E234 IonicContact NE-OE2 2.65Å; R31-E234 IonicContact NH1-OE2 2.8Å; R31-E234 PolarHBondContact NH1-OE2 3Å |
| 32 | G | 98.4 | Very high | 96.8 | Very high | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.01 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 138.5 | 166.7 | 0 | 0 | 0 | 0 | 0 | 111 | R16 S17 V41 I412 | R16-G32 CarbonylContact C-O 3.51Å; R16-G32 WeakPolarHBondContact CA-O 3.38Å; S17-G32 PolarHBondContact N-O 2.76Å; S17-G32 PolarHBondContact O-N 2.82Å; G32-V41 CarbonylContact C-O 3.46Å; G32-I412 VanDerWaalsContact CA-CD1 3.44Å |
| 33 | L | 97.3 | Very high | 96.8 | Very high | 4 Ų | 4 | 38.7 Ų | 38.7 | 2% | 0.021 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 151.6 | 176.3 | -54 | 172.4 | 0 | 0 | 0 | 110.1 | V13 R15 R16 R31 V41 L43 E234 I237 | V13-L33 HydrophobicContact CG1-CD2 4.17Å; R15-L33 WeakPolarHBondContact O-CA 3.47Å; R16-L33 HydrophobicContact CB-CD2 4.29Å; R16-L33 HydrophobicContact CG-CD2 3.76Å; R31-L33 HydrophobicContact CG-CD2 3.85Å; R31-L33 HydrophobicContact CG-CG 4.31Å; L33-V41 HydrophobicContact CB-CB 4.16Å; L33-V41 HydrophobicContact CD1-CB 4.44Å; L33-V41 PolarHBondContact N-O 2.95Å; L33-V41 PolarHBondContact O-N 2.86Å; L33-L43 HydrophobicContact CD1-CD1 3.72Å; L33-L43 HydrophobicContact CD1-CG 4.09Å; L33-L43 HydrophobicContact CG-CD1 4.47Å; L33-E234 HydrophobicContact CD1-CB 4.43Å; L33-E234 HydrophobicContact CD1-CG 3.88Å; L33-E234 HydrophobicContact CD2-CG 4.45Å; L33-I237 HydrophobicContact CD1-CD1 4.15Å |
| 34 | E | 96.5 | Very high | 96.9 | Very high | 77 Ų | 77 | 38.2 Ų | 38.2 | 36% | 0.36 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 118.7 | 161.2 | -169.1 | 177 | 176.6 | 0 | 0 | 107.4 | T14 R15 | T14-E34 WeakPolarHBondContact CA-O 3.32Å; T14-E34 WeakPolarHBondContact CB-O 3.24Å; T14-E34 PolarHBondContact N-O 3.45Å; R15-E34 HydrophobicContact CB-CB 4.02Å; R15-E34 PolarHBondContact N-O 2.94Å; R15-E34 PolarHBondContact O-N 3.27Å |
| 35 | L | 96.5 | Very high | 97.1 | Very high | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 162.2 | -179.9 | -58.2 | -169.2 | 0 | 0 | 0 | 111.1 | L12 V13 T14 N37 G38 M39 V41 T238 F241 | L12-L35 CarbonylContact O-C 3.56Å; L12-L35 WeakPolarHBondContact O-CA 3.32Å; V13-L35 HydrophobicContact CG2-CD2 4.13Å; T14-L35 PolarHBondContact OG1-O 3.06Å; L35-N37 VanDerWaalsContact CB-OD1 3.22Å; L35-N37 WeakPolarHBondContact CB-OD1 3.36Å; L35-N37 PolarHBondContact O-N 2.83Å; L35-G38 PolarHBondContact O-N 3.29Å; L35-M39 HydrophobicContact CB-CB 4.39Å; L35-M39 HydrophobicContact CD1-CB 4.25Å; L35-M39 HydrophobicContact CD1-SD 4.37Å; L35-M39 HydrophobicContact CG-CB 4.41Å; L35-M39 PolarHBondContact N-O 3.36Å; L35-V41 HydrophobicContact CD1-CG2 4Å; L35-V41 HydrophobicContact CD2-CG2 4.32Å; L35-V41 HydrophobicContact CG-CG2 3.9Å; L35-T238 HydrophobicContact CD2-CG2 3.85Å; L35-F241 HydrophobicContact CD1-CB 4.31Å |
| 36 | R | 94.3 | Very high | 97.3 | Very high | 153 Ų | 153 | 31.3 Ų | 31.3 | 58% | 0.577 | 14% | 0.144 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -18.1 | 176.5 | -72.2 | -158.2 | -169.3 | 179.8 | 1.2 | 114.1 | E10 Q11 L12 T14 G38 | E10-R36 PolarHBondContact O-NH2 2.67Å; Q11-R36 WeakPolarHBondContact O-CD 3.27Å; Q11-R36 VanDerWaalsContact O-CZ 3.32Å; Q11-R36 PolarHBondContact O-NE 3.39Å; Q11-R36 VanDerWaalsContact O-NE 3.09Å; L12-R36 PolarHBondContact O-N 3.49Å; T14-R36 VanDerWaalsContact OG1-CA 3.26Å; T14-R36 WeakPolarHBondContact OG1-CA 3.26Å; T14-R36 PolarHBondContact OG1-N 2.79Å; R36-G38 VanDerWaalsContact C-N 3.28Å |
| 37 | N | 95.7 | Very high | 97.4 | Very high | 14 Ų | 14 | 34.4 Ų | 34.4 | 8% | 0.075 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | 6.7 | 171.2 | 70 | -1.6 | 0 | 0 | 0 | 112.9 | L35 M39 S217 N218 F241 G242 V244 N246 | L35-N37 VanDerWaalsContact CB-OD1 3.22Å; L35-N37 WeakPolarHBondContact CB-OD1 3.36Å; L35-N37 PolarHBondContact O-N 2.83Å; N37-M39 VanDerWaalsContact C-N 3.3Å; N37-M39 PolarHBondContact O-N 3.18Å; N37-M39 WeakPolarHBondContact OD1-CB 3.48Å; N37-M39 PolarHBondContact OD1-N 2.9Å; N37-S217 WeakPolarHBondContact CB-OG 3.46Å; N37-S217 VanDerWaalsContact CG-CB 3.47Å; N37-S217 WeakPolarHBondContact ND2-CB 3.2Å; N37-S217 PolarHBondContact O-OG 2.83Å; N37-N218 PolarHBondContact O-N 2.77Å; N37-F241 PolarHBondContact ND2-O 3.49Å; N37-G242 PolarHBondContact ND2-O 2.92Å; N37-V244 PolarHBondContact ND2-O 3.36Å; N37-N246 HydrophobicContact CB-CB 4.1Å; N37-N246 VanDerWaalsContact O-CB 3.31Å; N37-N246 WeakPolarHBondContact O-CB 3.34Å; N37-N246 VanDerWaalsContact O-CG 3.25Å; N37-N246 PolarHBondContact O-ND2 3.4Å; N37-N246 VanDerWaalsContact O-ND2 3.17Å |
| 38 | G | 96 | Very high | 97.3 | Very high | 20 Ų | 20 | 31.1 Ų | 31.1 | 21% | 0.206 | 16% | 0.159 | C | C | . | . | S | Bend | trans | 81.3 | 2.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115 | L35 R36 | L35-G38 PolarHBondContact O-N 3.29Å; R36-G38 VanDerWaalsContact C-N 3.28Å |
| 39 | M | 97.9 | Very high | 97 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.157 | C | C | . | . | trans | -69.1 | 130.3 | 173.9 | -173.8 | -177 | -66.5 | 0 | 0 | 110.4 | L35 N37 V41 L56 S217 M220 L222 F241 V244 | L35-M39 HydrophobicContact CB-CB 4.39Å; L35-M39 HydrophobicContact CD1-CB 4.25Å; L35-M39 HydrophobicContact CD1-SD 4.37Å; L35-M39 HydrophobicContact CG-CB 4.41Å; L35-M39 PolarHBondContact N-O 3.36Å; N37-M39 VanDerWaalsContact C-N 3.3Å; N37-M39 PolarHBondContact O-N 3.18Å; N37-M39 WeakPolarHBondContact OD1-CB 3.48Å; N37-M39 PolarHBondContact OD1-N 2.9Å; M39-V41 HydrophobicContact CG-CG2 4.22Å; M39-V41 HydrophobicContact SD-CG2 4.28Å; M39-L56 HydrophobicContact CE-CD1 4.15Å; M39-S217 VanDerWaalsContact CA-O 3.24Å; M39-S217 WeakPolarHBondContact CA-O 3.23Å; M39-S217 PolarHBondContact N-O 3.46Å; M39-M220 HydrophobicContact CE-CB 3.99Å; M39-M220 HydrophobicContact CE-SD 3.86Å; M39-M220 HydrophobicContact CG-CB 4.18Å; M39-L222 HydrophobicContact SD-CB 4.01Å; M39-L222 HydrophobicContact SD-CD2 4.37Å; M39-F241 HydrophobicContact CE-CB 4.16Å; M39-F241 HydrophobicContact CE-CD1 4.2Å; M39-F241 HydrophobicContact SD-CB 3.92Å; M39-F241 HydrophobicContact SD-CD1 4.26Å; M39-F241 HydrophobicContact SD-CG 4.33Å; M39-V244 HydrophobicContact CE-CB 4.13Å; M39-V244 HydrophobicContact CE-CG1 4.28Å; M39-V244 HydrophobicContact CE-CG2 4.15Å | ||
| 40 | K | 98.1 | Very high | 96.6 | Very high | 57 Ų | 57 | 27.9 Ų | 27.9 | 25% | 0.248 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 134.4 | 169 | -60.5 | -175.6 | -176.4 | -174.1 | 0 | 109.3 | M220 S221 L222 M407 | K40-M220 PolarHBondContact N-O 2.8Å; K40-S221 CarbonylContact O-C 3.56Å; K40-S221 VanDerWaalsContact O-CA 3.26Å; K40-S221 WeakPolarHBondContact O-CA 3.28Å; K40-L222 PolarHBondContact O-N 3.41Å; K40-M407 HydrophobicContact CB-SD 4.02Å; K40-M407 HydrophobicContact CD-CB 4.34Å; K40-M407 WeakPolarHBondContact CD-O 3.18Å; K40-M407 PolarHBondContact NZ-O 3.29Å |
| 41 | V | 98.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 132.2 | 176 | -169.7 | 0 | 0 | 0 | 0 | 111 | G32 L33 L35 M39 L43 L222 I237 I412 | G32-V41 CarbonylContact C-O 3.46Å; L33-V41 HydrophobicContact CB-CB 4.16Å; L33-V41 HydrophobicContact CD1-CB 4.44Å; L33-V41 PolarHBondContact N-O 2.95Å; L33-V41 PolarHBondContact O-N 2.86Å; L35-V41 HydrophobicContact CD1-CG2 4Å; L35-V41 HydrophobicContact CD2-CG2 4.32Å; L35-V41 HydrophobicContact CG-CG2 3.9Å; M39-V41 HydrophobicContact CG-CG2 4.22Å; M39-V41 HydrophobicContact SD-CG2 4.28Å; V41-L43 HydrophobicContact CG1-CD2 3.67Å; V41-L43 HydrophobicContact CG1-CG 4.42Å; V41-L222 CarbonylContact C-O 3.52Å; V41-L222 WeakPolarHBondContact CA-O 3.31Å; V41-L222 HydrophobicContact CG1-CB 4.23Å; V41-L222 HydrophobicContact CG1-CD2 3.97Å; V41-L222 HydrophobicContact CG1-CG 4.14Å; V41-L222 WeakPolarHBondContact CG1-O 3.4Å; V41-L222 HydrophobicContact CG2-CB 4.26Å; V41-L222 HydrophobicContact CG2-CD2 4.3Å; V41-I237 HydrophobicContact CB-CD1 4.48Å; V41-I237 HydrophobicContact CG1-CD1 3.95Å; V41-I237 HydrophobicContact CG2-CD1 4.29Å; V41-I412 WeakPolarHBondContact O-CD1 3.27Å |
| 42 | L | 98.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 120.3 | 168.1 | -173.1 | 70 | 0 | 0 | 0 | 109.8 | I20 Y30 V44 L222 C223 V224 L403 M407 I412 V415 | I20-L42 HydrophobicContact CD1-CD1 4.49Å; I20-L42 HydrophobicContact CG1-CD1 4.4Å; Y30-L42 HydrophobicContact CD1-CD1 4.47Å; Y30-L42 HydrophobicContact CD1-CD2 4.44Å; L42-V44 HydrophobicContact CG-CG2 4.49Å; L42-L222 PolarHBondContact N-O 3.36Å; L42-C223 WeakPolarHBondContact O-CA 3.21Å; L42-V224 PolarHBondContact O-N 2.89Å; L42-L403 HydrophobicContact CD2-CB 3.97Å; L42-L403 HydrophobicContact CD2-CD1 3.62Å; L42-L403 HydrophobicContact CD2-CG 4.33Å; L42-M407 HydrophobicContact CB-CE 3.79Å; L42-M407 HydrophobicContact CB-SD 3.78Å; L42-I412 HydrophobicContact CD1-CG1 4.25Å; L42-V415 HydrophobicContact CD2-CG1 3.92Å |
| 43 | L | 98.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 135.2 | 174.2 | -53.2 | -176.7 | 0 | 0 | 0 | 109.6 | Y30 R31 L33 V41 V224 L230 L233 E234 I237 | Y30-L43 VanDerWaalsContact CA-O 3.28Å; Y30-L43 WeakPolarHBondContact CA-O 3.27Å; R31-L43 HydrophobicContact CB-CB 4.44Å; R31-L43 PolarHBondContact N-O 2.63Å; R31-L43 PolarHBondContact O-N 3.05Å; L33-L43 HydrophobicContact CD1-CD1 3.72Å; L33-L43 HydrophobicContact CD1-CG 4.09Å; L33-L43 HydrophobicContact CG-CD1 4.47Å; V41-L43 HydrophobicContact CG1-CD2 3.67Å; V41-L43 HydrophobicContact CG1-CG 4.42Å; L43-V224 HydrophobicContact CD2-CB 4.27Å; L43-L230 HydrophobicContact CB-CD2 3.98Å; L43-L233 HydrophobicContact CB-CD1 4.35Å; L43-L233 HydrophobicContact CD1-CB 3.97Å; L43-L233 HydrophobicContact CD2-CB 4.34Å; L43-E234 HydrophobicContact CD1-CB 3.79Å; L43-I237 HydrophobicContact CD2-CD1 4.33Å; L43-I237 HydrophobicContact CD2-CG1 3.97Å |
| 44 | V | 98.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 110.3 | 177.5 | -168.2 | 0 | 0 | 0 | 0 | 108.9 | R28 L29 Y30 L42 V224 L225 G226 L399 | R28-V44 HydrophobicContact CB-CG1 4.09Å; R28-V44 HydrophobicContact CG-CG1 4.49Å; L29-V44 CarbonylContact O-C 3.56Å; L29-V44 WeakPolarHBondContact O-CA 3.44Å; Y30-V44 HydrophobicContact CD1-CB 4.34Å; Y30-V44 HydrophobicContact CD1-CG1 4.1Å; Y30-V44 HydrophobicContact CD1-CG2 3.74Å; Y30-V44 HydrophobicContact CE1-CB 4.16Å; Y30-V44 HydrophobicContact CE1-CG1 3.59Å; Y30-V44 HydrophobicContact CE1-CG2 3.58Å; L42-V44 HydrophobicContact CG-CG2 4.49Å; V44-V224 PolarHBondContact N-O 3.34Å; V44-L225 HydrophobicContact CB-CB 4.06Å; V44-L225 HydrophobicContact CB-CD1 4.12Å; V44-L225 HydrophobicContact CB-CG 3.98Å; V44-L225 HydrophobicContact CG1-CD1 3.81Å; V44-L225 HydrophobicContact CG1-CG 4.06Å; V44-L225 VanDerWaalsContact O-CA 3.28Å; V44-L225 WeakPolarHBondContact O-CA 3.49Å; V44-G226 PolarHBondContact O-N 2.91Å; V44-L399 HydrophobicContact CG1-CD2 4.37Å |
| 45 | S | 98.6 | Very high | 96.6 | Very high | 3 Ų | 3 | 23 Ų | 23 | 2% | 0.021 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 119.3 | 173.9 | -178.5 | 0 | 0 | 0 | 0 | 109.6 | R28 L29 E228 | R28-S45 WeakPolarHBondContact CA-O 3.47Å; L29-S45 PolarHBondContact N-O 3.34Å; L29-S45 PolarHBondContact O-N 3.45Å; S45-E228 VanDerWaalsContact CB-O 3.29Å; S45-E228 WeakPolarHBondContact CB-O 3.38Å; S45-E228 PolarHBondContact OG-O 3.48Å |
| 46 | D | 97.5 | Very high | 96.7 | Very high | 7 Ų | 7 | 22.9 Ų | 22.9 | 4% | 0.037 | 12% | 0.12 | C | C | . | . | trans | -129.8 | 87.5 | 174.4 | -174.3 | -9 | 0 | 0 | 0 | 109.7 | R28 T48 T49 L225 G226 K393 | R28-D46 HydrophobicContact CG-CB 4.01Å; D46-T48 PolarHBondContact O-N 2.92Å; D46-T48 WeakPolarHBondContact OD1-CB 3.27Å; D46-T48 PolarHBondContact OD1-N 3.45Å; D46-T48 VanDerWaalsContact OD1-N 3.08Å; D46-T48 PolarHBondContact OD1-OG1 3.35Å; D46-T49 HydrophobicContact CB-CG2 4.34Å; D46-T49 WeakPolarHBondContact O-CG2 3.26Å; D46-T49 PolarHBondContact O-N 2.78Å; D46-T49 PolarHBondContact OD1-N 3.12Å; D46-L225 HydrophobicContact CB-CD2 4.27Å; D46-G226 PolarHBondContact N-O 3.26Å; D46-K393 IonicContact OD1-NZ 3.65Å; D46-K393 PolarHBondContact OD1-NZ 3.36Å; D46-K393 WeakPolarHBondContact OD2-CE 3.41Å; D46-K393 IonicContact OD2-NZ 3.85Å; D46-K393 PolarHBondContact OD2-NZ 2.84Å | ||
| 47 | P | 96.5 | Very high | 96.9 | Very high | 88 Ų | 88 | 15.7 Ų | 15.7 | 57% | 0.571 | 9% | 0.092 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57 | -15.4 | 179.5 | -27.2 | 36 | 0 | 0 | 0 | 114.5 | ||
| 48 | T | 92.3 | Very high | 97.1 | Very high | 88 Ų | 88 | 15 Ų | 15 | 54% | 0.54 | 9% | 0.089 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | -13.8 | 179.8 | 70.9 | 0 | 0 | 0 | 0 | 114.2 | D46 K393 | D46-T48 PolarHBondContact O-N 2.92Å; D46-T48 WeakPolarHBondContact OD1-CB 3.27Å; D46-T48 PolarHBondContact OD1-N 3.45Å; D46-T48 VanDerWaalsContact OD1-N 3.08Å; D46-T48 PolarHBondContact OD1-OG1 3.35Å; T48-K393 PolarHBondContact OG1-NZ 3.19Å; T48-K393 VanDerWaalsContact OG1-NZ 3.14Å |
| 49 | T | 92.2 | Very high | 97.1 | Very high | 1 Ų | 1 | 14.4 Ų | 14.4 | 1% | 0.006 | 8% | 0.081 | C | C | . | . | trans | -65.8 | 138.4 | -171 | -162.8 | 0 | 0 | 0 | 0 | 112.2 | D46 K51 S121 L225 R227 | D46-T49 HydrophobicContact CB-CG2 4.34Å; D46-T49 WeakPolarHBondContact O-CG2 3.26Å; D46-T49 PolarHBondContact O-N 2.78Å; D46-T49 PolarHBondContact OD1-N 3.12Å; T49-K51 VanDerWaalsContact CG2-O 3.22Å; T49-K51 WeakPolarHBondContact CG2-O 3.41Å; T49-K51 PolarHBondContact OG1-O 2.92Å; T49-S121 PolarHBondContact O-OG 2.95Å; T49-S121 VanDerWaalsContact O-OG 3.13Å; T49-L225 HydrophobicContact CG2-CD2 3.77Å; T49-R227 HydrophobicContact CG2-CG 3.95Å; T49-R227 VanDerWaalsContact O-CZ 3.23Å; T49-R227 PolarHBondContact O-NE 3.48Å; T49-R227 PolarHBondContact O-NH2 3.08Å | ||
| 50 | E | 90.3 | Very high | 97.1 | Very high | 34 Ų | 34 | 14.5 Ų | 14.5 | 16% | 0.159 | 8% | 0.081 | C | C | . | . | S | Bend | trans | -78.5 | -37 | 170.3 | -68 | 73.5 | -157.4 | 0 | 0 | 111.4 | S121 K857 K859 | E50-S121 PolarHBondContact O-N 2.83Å; E50-S121 VanDerWaalsContact O-N 3.07Å; E50-S121 PolarHBondContact O-OG 2.7Å; E50-K857 WeakPolarHBondContact OE1-CD 3.27Å; E50-K857 WeakPolarHBondContact OE1-CE 3.07Å; E50-K857 WeakPolarHBondContact OE1-CG 3.13Å; E50-K857 IonicContact OE1-NZ 3.2Å; E50-K857 PolarHBondContact OE1-NZ 2.9Å; E50-K859 IonicContact OE2-NZ 2.78Å; E50-K859 PolarHBondContact OE2-NZ 3.17Å |
| 51 | K | 93.9 | Very high | 97.1 | Very high | 16 Ų | 16 | 11.8 Ų | 11.8 | 7% | 0.07 | 7% | 0.069 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 135.6 | 176.4 | -61.5 | -161.1 | -175.4 | -159.7 | 0 | 112.2 | T49 G101 E118 V119 P396 | T49-K51 VanDerWaalsContact CG2-O 3.22Å; T49-K51 WeakPolarHBondContact CG2-O 3.41Å; T49-K51 PolarHBondContact OG1-O 2.92Å; K51-G101 WeakPolarHBondContact CE-O 3.48Å; K51-G101 PolarHBondContact NZ-O 3.48Å; K51-E118 HydrophobicContact CD-CB 4.26Å; K51-E118 HydrophobicContact CD-CG 4.31Å; K51-E118 WeakPolarHBondContact CD-OE1 3.49Å; K51-E118 IonicContact NZ-OE1 2.76Å; K51-E118 PolarHBondContact NZ-OE1 3.34Å; K51-V119 CarbonylContact C-O 3.48Å; K51-V119 WeakPolarHBondContact CA-O 3.47Å; K51-V119 WeakPolarHBondContact CB-O 3.25Å; K51-P396 WeakPolarHBondContact O-CG 3.33Å |
| 52 | A | 97.6 | Very high | 97 | Very high | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 162.6 | 162 | 0 | 0 | 0 | 0 | 0 | 109.8 | E118 V119 S121 L124 L225 | A52-E118 CarbonylContact O-C 3.28Å; A52-E118 VanDerWaalsContact O-CA 3.3Å; A52-E118 WeakPolarHBondContact O-CA 3.48Å; A52-V119 HydrophobicContact CB-CG1 4.36Å; A52-V119 PolarHBondContact N-O 3.34Å; A52-V119 PolarHBondContact O-N 2.95Å; A52-S121 PolarHBondContact N-OG 3.26Å; A52-L124 HydrophobicContact CB-CB 3.7Å; A52-L124 HydrophobicContact CB-CD1 3.86Å; A52-L124 HydrophobicContact CB-CD2 3.94Å; A52-L124 HydrophobicContact CB-CG 4Å; A52-L225 CarbonylContact C-O 3.57Å; A52-L225 VanDerWaalsContact CA-O 3.24Å; A52-L225 WeakPolarHBondContact CA-O 3.45Å; A52-L225 VanDerWaalsContact CB-O 3.26Å; A52-L225 WeakPolarHBondContact CB-O 3.47Å |
| 53 | A | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 158.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | F117 E118 L225 P396 T400 | A53-F117 WeakPolarHBondContact CA-O 3.31Å; A53-F117 VanDerWaalsContact CB-O 3.26Å; A53-F117 WeakPolarHBondContact CB-O 3.25Å; A53-E118 HydrophobicContact CB-CB 4.29Å; A53-L225 PolarHBondContact N-O 2.86Å; A53-L225 PolarHBondContact O-N 3.23Å; A53-P396 HydrophobicContact CB-CB 3.59Å; A53-T400 HydrophobicContact CB-CG2 4Å |
| 54 | A | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 157.8 | 164.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | H116 F117 L128 C223 V224 | A54-H116 CarbonylContact O-C 3.59Å; A54-H116 VanDerWaalsContact O-CA 3.29Å; A54-H116 WeakPolarHBondContact O-CA 3.3Å; A54-F117 HydrophobicContact CB-CD1 4.34Å; A54-F117 HydrophobicContact CB-CE1 3.66Å; A54-F117 HydrophobicContact CB-CZ 3.75Å; A54-F117 PolarHBondContact N-O 3.42Å; A54-F117 PolarHBondContact O-N 2.89Å; A54-L128 HydrophobicContact CB-CD2 3.76Å; A54-C223 CarbonylContact C-O 3.59Å; A54-C223 WeakPolarHBondContact CA-O 3.34Å; A54-V224 HydrophobicContact CB-CG2 4.08Å |
| 55 | S | 98.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 138.4 | 169.9 | 177.7 | 0 | 0 | 0 | 0 | 110.4 | N114 Y115 L222 C223 T400 | S55-N114 PolarHBondContact OG-ND2 3.12Å; S55-N114 PolarHBondContact OG-OD1 2.74Å; S55-N114 VanDerWaalsContact OG-OD1 3.04Å; S55-Y115 CarbonylContact C-O 3.59Å; S55-Y115 WeakPolarHBondContact CA-O 3.4Å; S55-Y115 WeakPolarHBondContact CB-O 2.98Å; S55-Y115 PolarHBondContact OG-O 3.01Å; S55-L222 CarbonylContact O-C 3.54Å; S55-L222 WeakPolarHBondContact O-CA 3.41Å; S55-C223 PolarHBondContact N-O 2.85Å; S55-C223 PolarHBondContact O-N 3.43Å; S55-T400 VanDerWaalsContact CB-C 3.5Å; S55-T400 WeakPolarHBondContact CB-O 3.44Å |
| 56 | L | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 128 | 169.1 | -172.1 | 154.3 | 0 | 0 | 0 | 108.9 | M39 Y115 F131 F135 M220 S221 L222 F241 | M39-L56 HydrophobicContact CE-CD1 4.15Å; L56-Y115 PolarHBondContact N-O 3.45Å; L56-Y115 PolarHBondContact O-N 3.29Å; L56-F131 HydrophobicContact CB-CE1 3.92Å; L56-F131 HydrophobicContact CB-CZ 3.97Å; L56-F135 HydrophobicContact CB-CE1 4.49Å; L56-F135 HydrophobicContact CB-CE2 4.22Å; L56-F135 HydrophobicContact CB-CZ 3.96Å; L56-F135 HydrophobicContact CD1-CD1 4.27Å; L56-F135 HydrophobicContact CD1-CD2 3.78Å; L56-F135 HydrophobicContact CD1-CE1 4.31Å; L56-F135 HydrophobicContact CD1-CE2 3.82Å; L56-F135 HydrophobicContact CD1-CG 4.02Å; L56-F135 HydrophobicContact CD1-CZ 4.09Å; L56-F135 HydrophobicContact CD2-CD1 3.96Å; L56-F135 HydrophobicContact CD2-CE1 3.69Å; L56-F135 HydrophobicContact CD2-CZ 4.02Å; L56-F135 HydrophobicContact CG-CE1 4.38Å; L56-F135 HydrophobicContact CG-CE2 4.43Å; L56-F135 HydrophobicContact CG-CZ 4.24Å; L56-M220 HydrophobicContact CD1-SD 4.14Å; L56-M220 HydrophobicContact CD2-CB 4.11Å; L56-M220 HydrophobicContact CD2-CG 3.87Å; L56-M220 HydrophobicContact CD2-SD 4.04Å; L56-M220 HydrophobicContact CG-CB 4.43Å; L56-S221 CarbonylContact C-O 3.45Å; L56-S221 VanDerWaalsContact CA-O 3.31Å; L56-S221 WeakPolarHBondContact CA-O 3.29Å; L56-L222 HydrophobicContact CB-CD1 4.1Å; L56-L222 HydrophobicContact CD1-CD1 4.49Å; L56-F241 HydrophobicContact CD1-CD1 4.14Å; L56-F241 HydrophobicContact CD1-CE1 3.96Å |
| 57 | D | 98.8 | Very high | 96.6 | Very high | 1 Ų | 1 | 20.5 Ų | 20.5 | 1% | 0.005 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 119.7 | 178.4 | -166.4 | -73.1 | 0 | 0 | 0 | 110.1 | H112 N114 M220 S221 A404 S405 H408 | D57-H112 IonicContact OD2-CD2 3.64Å; D57-N114 PolarHBondContact OD2-ND2 2.69Å; D57-M220 WeakPolarHBondContact O-CA 3.44Å; D57-S221 PolarHBondContact N-O 3.37Å; D57-S221 PolarHBondContact O-N 3.43Å; D57-A404 HydrophobicContact CB-CB 3.75Å; D57-S405 WeakPolarHBondContact OD2-CB 3.39Å; D57-S405 PolarHBondContact OD2-OG 2.93Å; D57-H408 PolarHBondContact O-NE2 3.12Å; D57-H408 IonicContact OD1-CD2 2.65Å; D57-H408 PolarHBondContact OD1-CD2 3.18Å; D57-H408 IonicContact OD1-NE2 2.92Å; D57-H408 PolarHBondContact OD1-NE2 3.47Å |
| 58 | L | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 126 | 177.1 | 174.2 | 66.4 | 0 | 0 | 0 | 109.3 | I60 H112 T113 Y215 L219 M220 | L58-I60 HydrophobicContact CD1-CG1 4.23Å; L58-I60 HydrophobicContact CD2-CB 4.01Å; L58-I60 HydrophobicContact CD2-CG1 4.39Å; L58-I60 HydrophobicContact CG-CB 3.93Å; L58-I60 HydrophobicContact CG-CG1 4.12Å; L58-I60 PolarHBondContact O-N 2.9Å; L58-H112 CarbonylContact O-C 3.56Å; L58-H112 WeakPolarHBondContact O-CA 3.48Å; L58-H112 VanDerWaalsContact O-CB 3.32Å; L58-H112 WeakPolarHBondContact O-CB 3.45Å; L58-T113 PolarHBondContact N-O 2.79Å; L58-T113 PolarHBondContact O-N 2.86Å; L58-Y215 HydrophobicContact CD2-CD1 3.78Å; L58-Y215 HydrophobicContact CD2-CD2 3.69Å; L58-Y215 HydrophobicContact CD2-CE1 3.71Å; L58-Y215 HydrophobicContact CD2-CE2 3.68Å; L58-Y215 HydrophobicContact CD2-CG 3.77Å; L58-L219 HydrophobicContact CD1-CB 3.95Å; L58-M220 HydrophobicContact CD1-CE 3.96Å; L58-M220 HydrophobicContact CD1-CG 3.76Å |
| 59 | N | 96.9 | Very high | 96.8 | Very high | 7 Ų | 7 | 18 Ų | 18 | 4% | 0.037 | 8% | 0.083 | C | C | . | . | S | Bend | trans | -78.2 | 52.8 | 178.5 | -153.1 | -93.8 | 0 | 0 | 0 | 112.7 | D111 L219 | N59-D111 CarbonylContact C-O 3.6Å; N59-L219 HydrophobicContact CB-CB 4.38Å; N59-L219 WeakPolarHBondContact CB-O 3.43Å; N59-L219 PolarHBondContact N-O 3.29Å |
| 60 | I | 98 | Very high | 97 | Very high | 2 Ų | 2 | 18.9 Ų | 18.9 | 1% | 0.01 | 9% | 0.088 | C | C | . | . | trans | -144.7 | 131.3 | 175.1 | -63.6 | -70.6 | 0 | 0 | 0 | 106.6 | L58 N64 D111 H112 T113 F210 Y214 L219 F252 | L58-I60 HydrophobicContact CD1-CG1 4.23Å; L58-I60 HydrophobicContact CD2-CB 4.01Å; L58-I60 HydrophobicContact CD2-CG1 4.39Å; L58-I60 HydrophobicContact CG-CB 3.93Å; L58-I60 HydrophobicContact CG-CG1 4.12Å; L58-I60 PolarHBondContact O-N 2.9Å; I60-N64 HydrophobicContact CG2-CB 3.83Å; I60-D111 CarbonylContact C-O 3.52Å; I60-D111 PolarHBondContact N-O 2.71Å; I60-H112 CarbonylContact O-C 3.57Å; I60-H112 VanDerWaalsContact O-CA 3.25Å; I60-H112 WeakPolarHBondContact O-CA 3.25Å; I60-T113 PolarHBondContact O-N 3.31Å; I60-T113 PolarHBondContact O-OG1 2.8Å; I60-F210 HydrophobicContact CG2-CE1 4.12Å; I60-F210 HydrophobicContact CG2-CZ 3.77Å; I60-Y214 HydrophobicContact CD1-CD1 3.73Å; I60-Y214 HydrophobicContact CD1-CE1 4.4Å; I60-Y214 HydrophobicContact CD1-CG 4.21Å; I60-Y214 HydrophobicContact CG1-CD1 4.45Å; I60-Y214 HydrophobicContact CG1-CG 4.49Å; I60-Y214 HydrophobicContact CG2-CG 4.19Å; I60-L219 HydrophobicContact CD1-CD1 3.8Å; I60-L219 HydrophobicContact CG1-CD1 3.86Å; I60-F252 HydrophobicContact CD1-CD2 3.71Å; I60-F252 HydrophobicContact CD1-CE2 3.67Å | ||
| 61 | G | 97.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 8% | 0.08 | C | C | . | . | trans | -139.6 | -162.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L63 N64 T110 | G61-L63 PolarHBondContact O-N 2.83Å; G61-L63 VanDerWaalsContact O-N 3.17Å; G61-N64 PolarHBondContact N-OD1 2.89Å; G61-N64 VanDerWaalsContact N-OD1 3.09Å; G61-N64 WeakPolarHBondContact O-CB 3.4Å; G61-N64 PolarHBondContact O-N 2.86Å; G61-N64 PolarHBondContact O-OD1 3.09Å; G61-T110 CarbonylContact C-O 3.59Å; G61-T110 VanDerWaalsContact CA-O 3.27Å; G61-T110 WeakPolarHBondContact CA-O 3.21Å | ||
| 62 | H | 97.6 | Very high | 97.6 | Very high | 30 Ų | 30 | 16.5 Ų | 16.5 | 14% | 0.139 | 8% | 0.077 | C | C | . | . | G | 310 helix | trans | -67.7 | -15.4 | -175.7 | 73.6 | -102 | 0 | 0 | 0 | 114.5 | N64 D65 S109 T110 G185 | H62-N64 PolarHBondContact O-N 3.35Å; H62-D65 VanDerWaalsContact O-CB 3.3Å; H62-D65 WeakPolarHBondContact O-CB 3.31Å; H62-D65 PolarHBondContact O-N 2.93Å; H62-D65 VanDerWaalsContact O-N 3.11Å; H62-S109 PolarHBondContact N-O 3.46Å; H62-S109 PolarHBondContact ND1-O 2.91Å; H62-T110 VanDerWaalsContact CE1-CA 3.49Å; H62-T110 WeakPolarHBondContact CE1-CA 3.36Å; H62-T110 PolarHBondContact N-O 2.98Å; H62-T110 VanDerWaalsContact N-O 3.15Å; H62-G185 VanDerWaalsContact CD2-CA 3.44Å; H62-G185 WeakPolarHBondContact CD2-CA 3.33Å |
| 63 | L | 97.5 | Very high | 97.6 | Very high | 1 Ų | 1 | 16.5 Ų | 16.5 | 1% | 0.005 | 8% | 0.077 | C | C | . | . | G | 310 helix | trans | -64.3 | -18.5 | 168.8 | -62.3 | -170.3 | 0 | 0 | 0 | 112.1 | G61 T110 D180 Y181 K183 W254 A333 | G61-L63 PolarHBondContact O-N 2.83Å; G61-L63 VanDerWaalsContact O-N 3.17Å; L63-T110 VanDerWaalsContact CB-O 3.3Å; L63-T110 WeakPolarHBondContact CB-O 3.17Å; L63-T110 HydrophobicContact CD1-CG2 4.44Å; L63-T110 HydrophobicContact CD2-CG2 4.42Å; L63-T110 HydrophobicContact CG-CG2 4.3Å; L63-T110 VanDerWaalsContact CG-O 3.26Å; L63-T110 WeakPolarHBondContact CG-O 3.47Å; L63-T110 PolarHBondContact N-O 2.83Å; L63-D180 HydrophobicContact CB-CB 4.26Å; L63-D180 HydrophobicContact CD2-CB 4.47Å; L63-D180 WeakPolarHBondContact CD2-O 3.45Å; L63-Y181 HydrophobicContact CD2-CD2 4.37Å; L63-K183 PolarHBondContact O-NZ 2.86Å; L63-W254 HydrophobicContact CB-CH2 3.74Å; L63-W254 HydrophobicContact CB-CZ2 3.5Å; L63-W254 VanDerWaalsContact CB-CZ2 3.5Å; L63-W254 HydrophobicContact CD1-CD2 4.28Å; L63-W254 HydrophobicContact CD1-CE3 4.21Å; L63-W254 HydrophobicContact CD1-CH2 3.93Å; L63-W254 HydrophobicContact CD1-CZ2 3.98Å; L63-W254 HydrophobicContact CD1-CZ3 4.04Å; L63-W254 HydrophobicContact CG-CH2 4.47Å; L63-W254 HydrophobicContact CG-CZ2 4.41Å; L63-A333 HydrophobicContact CD1-CB 3.53Å |
| 64 | N | 97.2 | Very high | 97.6 | Very high | 8 Ų | 8 | 17.5 Ų | 17.5 | 4% | 0.043 | 8% | 0.082 | C | C | . | . | G | 310 helix | trans | -89.7 | -0.5 | 175.1 | -57.5 | 99.9 | 0 | 0 | 0 | 113.8 | I60 G61 H62 Y214 F252 | I60-N64 HydrophobicContact CG2-CB 3.83Å; G61-N64 PolarHBondContact N-OD1 2.89Å; G61-N64 VanDerWaalsContact N-OD1 3.09Å; G61-N64 WeakPolarHBondContact O-CB 3.4Å; G61-N64 PolarHBondContact O-N 2.86Å; G61-N64 PolarHBondContact O-OD1 3.09Å; H62-N64 PolarHBondContact O-N 3.35Å; N64-Y214 HydrophobicContact CB-CE2 4.46Å; N64-F252 VanDerWaalsContact ND2-CD2 3.29Å; N64-F252 WeakPolarHBondContact ND2-CD2 3.41Å; N64-F252 WeakPolarHBondContact ND2-CE2 3.32Å; N64-F252 WeakPolarHBondContact ND2-CG 3.26Å |
| 65 | D | 98 | Very high | 97.5 | Very high | 3 Ų | 3 | 17.5 Ų | 17.5 | 2% | 0.016 | 8% | 0.082 | C | C | . | . | S | Bend | trans | -60.5 | 143.6 | 179.6 | -75.7 | -10.8 | 0 | 0 | 0 | 112.1 | H62 G71 L72 A73 K183 | H62-D65 VanDerWaalsContact O-CB 3.3Å; H62-D65 WeakPolarHBondContact O-CB 3.31Å; H62-D65 PolarHBondContact O-N 2.93Å; H62-D65 VanDerWaalsContact O-N 3.11Å; D65-G71 VanDerWaalsContact OD2-CA 3.27Å; D65-G71 WeakPolarHBondContact OD2-CA 3.33Å; D65-G71 PolarHBondContact OD2-N 2.82Å; D65-L72 PolarHBondContact OD1-N 3.32Å; D65-L72 PolarHBondContact OD2-N 3.43Å; D65-L72 VanDerWaalsContact OD2-N 3.16Å; D65-A73 VanDerWaalsContact OD1-CB 3.26Å; D65-A73 WeakPolarHBondContact OD1-CB 2.99Å; D65-A73 PolarHBondContact OD1-N 2.92Å; D65-K183 HydrophobicContact CB-CD 4.43Å; D65-K183 WeakPolarHBondContact O-CE 3.42Å; D65-K183 PolarHBondContact O-NZ 2.83Å |
| 66 | P | 96.4 | Very high | 97.5 | Very high | 34 Ų | 34 | 17.5 Ų | 17.5 | 22% | 0.221 | 8% | 0.082 | C | C | . | . | trans | -58.6 | 142.9 | 162.8 | -18.3 | 31.7 | 0 | 0 | 0 | 110.2 | E68 L69 L72 | P66-E68 PolarHBondContact O-N 3.31Å; P66-L69 HydrophobicContact CB-CB 4.27Å; P66-L69 HydrophobicContact CG-CB 4.39Å; P66-L69 HydrophobicContact CG-CD1 4.45Å; P66-L69 CarbonylContact O-C 3.55Å; P66-L69 PolarHBondContact O-N 3.33Å; P66-L72 HydrophobicContact CG-CD2 3.77Å | ||
| 67 | R | 94.4 | Very high | 97.4 | Very high | 118 Ų | 118 | 18 Ų | 18 | 45% | 0.445 | 8% | 0.084 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -19.6 | -178 | -71.2 | -179.5 | 172.5 | -93.7 | 0.2 | 112.4 | P177 D178 D180 | R67-P177 PolarHBondContact NH1-O 2.71Å; R67-P177 PolarHBondContact NH2-O 3.26Å; R67-D178 VanDerWaalsContact NH2-C 3.28Å; R67-D178 PolarHBondContact NH2-O 2.87Å; R67-D180 IonicContact NH2-OD1 3.53Å |
| 68 | E | 94.8 | Very high | 97.2 | Very high | 123 Ų | 123 | 18.8 Ų | 18.8 | 58% | 0.575 | 9% | 0.088 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -17.5 | 175.6 | -55.2 | 74.2 | -164.6 | 0 | 0 | 112.8 | P66 L201 | P66-E68 PolarHBondContact O-N 3.31Å; E68-L201 HydrophobicContact CB-CD1 3.94Å |
| 69 | L | 97 | Very high | 97.1 | Very high | 1 Ų | 1 | 18.8 Ų | 18.8 | 1% | 0.005 | 9% | 0.088 | C | C | . | . | S | Bend | trans | -133.1 | 63.8 | -176.5 | -74.3 | 152.7 | 0 | 0 | 0 | 112.4 | P66 G71 L72 P196 T203 E206 | P66-L69 HydrophobicContact CB-CB 4.27Å; P66-L69 HydrophobicContact CG-CB 4.39Å; P66-L69 HydrophobicContact CG-CD1 4.45Å; P66-L69 CarbonylContact O-C 3.55Å; P66-L69 PolarHBondContact O-N 3.33Å; L69-G71 PolarHBondContact O-N 2.72Å; L69-L72 HydrophobicContact CB-CB 4.14Å; L69-L72 HydrophobicContact CB-CD2 4.26Å; L69-L72 HydrophobicContact CD1-CD2 4.16Å; L69-L72 WeakPolarHBondContact O-CB 3.43Å; L69-L72 PolarHBondContact O-N 3.46Å; L69-P196 HydrophobicContact CD2-CB 3.87Å; L69-P196 HydrophobicContact CD2-CG 3.34Å; L69-P196 HydrophobicContact CG-CG 4.16Å; L69-T203 HydrophobicContact CD2-CG2 4.19Å; L69-E206 HydrophobicContact CD1-CB 3.61Å; L69-E206 HydrophobicContact CD1-CG 3.73Å |
| 70 | P | 97.5 | Very high | 97.1 | Very high | 18 Ų | 18 | 18.4 Ų | 18.4 | 12% | 0.117 | 9% | 0.086 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | 126.4 | 172.8 | -23.8 | 32.9 | 0 | 0 | 0 | 112.7 | F184 G187 T191 W461 | P70-F184 HydrophobicContact CB-CB 4.2Å; P70-F184 HydrophobicContact CB-CD1 3.87Å; P70-F184 HydrophobicContact CB-CG 4.49Å; P70-F184 WeakPolarHBondContact CB-O 3.26Å; P70-G187 WeakPolarHBondContact O-CA 3.13Å; P70-T191 HydrophobicContact CB-CG2 4.25Å; P70-T191 HydrophobicContact CG-CG2 4.35Å; P70-T191 WeakPolarHBondContact O-CB 3.38Å; P70-T191 PolarHBondContact O-OG1 3.49Å; P70-W461 HydrophobicContact CG-CH2 4.2Å; P70-W461 HydrophobicContact CG-CZ2 4.43Å |
| 71 | G | 97.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 93.4 | 10.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | D65 L69 A73 H74 F75 F184 G185 | D65-G71 VanDerWaalsContact OD2-CA 3.27Å; D65-G71 WeakPolarHBondContact OD2-CA 3.33Å; D65-G71 PolarHBondContact OD2-N 2.82Å; L69-G71 PolarHBondContact O-N 2.72Å; G71-A73 PolarHBondContact O-N 3.43Å; G71-H74 PolarHBondContact O-N 2.82Å; G71-F75 WeakPolarHBondContact O-CB 3.2Å; G71-F75 PolarHBondContact O-N 3.07Å; G71-F184 PolarHBondContact N-O 2.84Å; G71-G185 WeakPolarHBondContact CA-O 3.2Å |
| 72 | L | 98.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -65.3 | -37.8 | -174.5 | -169.6 | 65.8 | 0 | 0 | 0 | 112.8 | D65 P66 L69 F75 C76 E206 L207 F210 | D65-L72 PolarHBondContact OD1-N 3.32Å; D65-L72 PolarHBondContact OD2-N 3.43Å; D65-L72 VanDerWaalsContact OD2-N 3.16Å; P66-L72 HydrophobicContact CG-CD2 3.77Å; L69-L72 HydrophobicContact CB-CB 4.14Å; L69-L72 HydrophobicContact CB-CD2 4.26Å; L69-L72 HydrophobicContact CD1-CD2 4.16Å; L69-L72 WeakPolarHBondContact O-CB 3.43Å; L69-L72 PolarHBondContact O-N 3.46Å; L72-F75 PolarHBondContact O-N 2.83Å; L72-C76 WeakPolarHBondContact O-CB 3.4Å; L72-C76 PolarHBondContact O-N 3.17Å; L72-E206 HydrophobicContact CD2-CB 4.43Å; L72-L207 HydrophobicContact CD1-CD2 3.61Å; L72-L207 HydrophobicContact CD1-CG 3.89Å; L72-L207 HydrophobicContact CG-CD2 4.3Å; L72-F210 HydrophobicContact CD2-CB 4.01Å; L72-F210 HydrophobicContact CD2-CD2 3.83Å; L72-F210 HydrophobicContact CD2-CG 4.16Å; L72-F210 HydrophobicContact CG-CB 4.49Å; L72-F210 HydrophobicContact CG-CD2 4.31Å; L72-F210 HydrophobicContact CG-CG 4.43Å |
| 73 | A | 98.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -62.5 | -45.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | D65 G71 C76 E77 T108 F210 | D65-A73 VanDerWaalsContact OD1-CB 3.26Å; D65-A73 WeakPolarHBondContact OD1-CB 2.99Å; D65-A73 PolarHBondContact OD1-N 2.92Å; G71-A73 PolarHBondContact O-N 3.43Å; A73-C76 WeakPolarHBondContact O-CB 3.44Å; A73-C76 PolarHBondContact O-N 3.4Å; A73-E77 PolarHBondContact O-N 3.38Å; A73-T108 HydrophobicContact CB-CG2 3.95Å; A73-F210 HydrophobicContact CB-CE1 4.13Å; A73-F210 HydrophobicContact CB-CZ 3.74Å |
| 74 | H | 98.3 | Very high | 96.4 | Very high | 22 Ų | 22 | 19.9 Ų | 19.9 | 10% | 0.102 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -64.1 | -43.3 | 177.2 | -178.1 | -132.7 | 0 | 0 | 0 | 111.4 | G71 C76 E77 H78 T108 E155 T186 | G71-H74 PolarHBondContact O-N 2.82Å; H74-C76 VanDerWaalsContact C-N 3.33Å; H74-C76 PolarHBondContact O-N 3.31Å; H74-E77 IonicContact CD2-OE2 2.61Å; H74-E77 WeakPolarHBondContact O-CB 3.35Å; H74-E77 PolarHBondContact O-N 2.85Å; H74-H78 AromaticContact CE1-NE2 3.57Å; H74-H78 AromaticContact NE2-CD2 3.82Å; H74-H78 AromaticContact NE2-NE2 3.34Å; H74-H78 PolarHBondContact NE2-NE2 3.46Å; H74-H78 PolarHBondContact O-CD2 3.37Å; H74-H78 PolarHBondContact O-N 3.3Å; H74-T108 HydrophobicContact CB-CG2 4.2Å; H74-E155 IonicContact CE1-OE2 2.75Å; H74-T186 PolarHBondContact ND1-O 2.83Å |
| 75 | F | 97.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -69 | -32.7 | 176.2 | -172.9 | -142.8 | 0 | 0 | 0 | 112.9 | G71 L72 E77 M79 T145 E148 V149 V152 L192 F193 T203 L207 | G71-F75 WeakPolarHBondContact O-CB 3.2Å; G71-F75 PolarHBondContact O-N 3.07Å; L72-F75 PolarHBondContact O-N 2.83Å; F75-E77 VanDerWaalsContact C-N 3.3Å; F75-E77 PolarHBondContact O-N 2.69Å; F75-M79 HydrophobicContact CD2-CG 4.11Å; F75-M79 HydrophobicContact CE2-CG 3.8Å; F75-M79 HydrophobicContact CE2-SD 4.1Å; F75-M79 HydrophobicContact CZ-CG 4.14Å; F75-M79 HydrophobicContact CZ-SD 4.34Å; F75-M79 WeakPolarHBondContact O-CB 3.44Å; F75-M79 VanDerWaalsContact O-CG 3.27Å; F75-M79 WeakPolarHBondContact O-CG 3.3Å; F75-M79 PolarHBondContact O-N 2.87Å; F75-M79 VanDerWaalsContact O-N 3.13Å; F75-T145 HydrophobicContact CE1-CG2 3.68Å; F75-T145 HydrophobicContact CZ-CG2 3.54Å; F75-T145 WeakPolarHBondContact CZ-O 3.4Å; F75-E148 HydrophobicContact CE2-CB 4.12Å; F75-E148 HydrophobicContact CE2-CG 4.36Å; F75-V149 HydrophobicContact CE1-CB 4.4Å; F75-V149 HydrophobicContact CE2-CB 4.07Å; F75-V149 HydrophobicContact CZ-CB 3.8Å; F75-V152 HydrophobicContact CD2-CG2 3.91Å; F75-L192 HydrophobicContact CB-CD1 3.73Å; F75-L192 HydrophobicContact CB-CD2 4.16Å; F75-L192 HydrophobicContact CD1-CB 4.41Å; F75-L192 HydrophobicContact CD1-CD1 3.97Å; F75-L192 HydrophobicContact CD1-CD2 4.16Å; F75-L192 HydrophobicContact CD1-CG 4.41Å; F75-L192 HydrophobicContact CD2-CD1 4.48Å; F75-L192 HydrophobicContact CG-CD1 3.82Å; F75-F193 AromaticContact CE1-CE2 3.98Å; F75-F193 HydrophobicContact CE1-CE2 3.98Å; F75-F193 HydrophobicContact CZ-CE2 4.17Å; F75-T203 HydrophobicContact CD1-CG2 4.16Å; F75-T203 HydrophobicContact CE1-CG2 3.89Å; F75-L207 HydrophobicContact CD1-CD1 3.86Å; F75-L207 HydrophobicContact CD1-CD2 4.11Å; F75-L207 HydrophobicContact CD1-CG 4.3Å; F75-L207 HydrophobicContact CE1-CD1 3.68Å; F75-L207 HydrophobicContact CZ-CD1 4.33Å |
| 76 | C | 97.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -62.4 | -39.8 | 171.7 | -169.5 | 0 | 0 | 0 | 0 | 111.2 | L72 A73 H74 M79 L80 L207 F210 Y215 | L72-C76 WeakPolarHBondContact O-CB 3.4Å; L72-C76 PolarHBondContact O-N 3.17Å; A73-C76 WeakPolarHBondContact O-CB 3.44Å; A73-C76 PolarHBondContact O-N 3.4Å; H74-C76 VanDerWaalsContact C-N 3.33Å; H74-C76 PolarHBondContact O-N 3.31Å; C76-M79 PolarHBondContact O-N 3.31Å; C76-L80 WeakPolarHBondContact O-CG 3.38Å; C76-L80 PolarHBondContact O-N 3.19Å; C76-L207 HydrophobicContact CB-CD2 3.66Å; C76-F210 HydrophobicContact CB-CD1 4.25Å; C76-Y215 PolarHBondContact SG-OH 3.34Å |
| 77 | E | 97.9 | Very high | 96.3 | Very high | 10 Ų | 10 | 31.7 Ų | 31.7 | 5% | 0.047 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -59.4 | -54.4 | 175.4 | 179.9 | -126.6 | 113.4 | 0 | 0 | 112.9 | A73 H74 F75 M79 L80 F81 A106 F107 T108 T113 Y115 | A73-E77 PolarHBondContact O-N 3.38Å; H74-E77 IonicContact CD2-OE2 2.61Å; H74-E77 WeakPolarHBondContact O-CB 3.35Å; H74-E77 PolarHBondContact O-N 2.85Å; F75-E77 VanDerWaalsContact C-N 3.3Å; F75-E77 PolarHBondContact O-N 2.69Å; E77-M79 VanDerWaalsContact C-N 3.25Å; E77-M79 PolarHBondContact O-N 3.04Å; E77-L80 PolarHBondContact O-N 2.65Å; E77-F81 WeakPolarHBondContact O-CD2 3.27Å; E77-A106 VanDerWaalsContact CD-CB 3.47Å; E77-A106 HydrophobicContact CG-CB 3.58Å; E77-A106 VanDerWaalsContact OE1-CB 3.28Å; E77-A106 WeakPolarHBondContact OE1-CB 3.48Å; E77-F107 WeakPolarHBondContact OE2-CA 3.12Å; E77-T108 WeakPolarHBondContact CB-OG1 3.46Å; E77-T108 PolarHBondContact OE2-N 3.05Å; E77-T108 PolarHBondContact OE2-OG1 2.96Å; E77-T113 HydrophobicContact CB-CG2 3.86Å; E77-T113 HydrophobicContact CG-CG2 3.7Å; E77-Y115 WeakPolarHBondContact CA-OH 3.29Å; E77-Y115 HydrophobicContact CB-CE1 4.14Å; E77-Y115 HydrophobicContact CG-CD1 4.28Å; E77-Y115 HydrophobicContact CG-CE1 3.51Å |
| 78 | H | 94.2 | Very high | 96.3 | Very high | 17 Ų | 17 | 30 Ų | 30 | 8% | 0.079 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -51.4 | -46.8 | 174.2 | -81.6 | -120.4 | 0 | 0 | 0 | 111.8 | H74 L80 F81 E148 E155 | H74-H78 AromaticContact CE1-NE2 3.57Å; H74-H78 AromaticContact NE2-CD2 3.82Å; H74-H78 AromaticContact NE2-NE2 3.34Å; H74-H78 PolarHBondContact NE2-NE2 3.46Å; H74-H78 PolarHBondContact O-CD2 3.37Å; H74-H78 PolarHBondContact O-N 3.3Å; H78-L80 VanDerWaalsContact C-N 3.29Å; H78-L80 PolarHBondContact O-N 3.49Å; H78-F81 PolarHBondContact O-N 3.31Å; H78-E148 HydrophobicContact CB-CG 3.81Å; H78-E148 IonicContact CE1-OE1 3.59Å; H78-E148 IonicContact CG-OE1 3.58Å; H78-E148 IonicContact ND1-OE1 3.34Å; H78-E148 PolarHBondContact ND1-OE1 2.93Å; H78-E155 IonicContact CE1-OE1 3.66Å |
| 79 | M | 95.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -70.3 | -16.3 | -173.7 | -74.7 | -61.3 | -55.3 | 0 | 0 | 115.1 | F75 C76 E77 F81 M82 F140 T145 E148 L207 | F75-M79 HydrophobicContact CD2-CG 4.11Å; F75-M79 HydrophobicContact CE2-CG 3.8Å; F75-M79 HydrophobicContact CE2-SD 4.1Å; F75-M79 HydrophobicContact CZ-CG 4.14Å; F75-M79 HydrophobicContact CZ-SD 4.34Å; F75-M79 WeakPolarHBondContact O-CB 3.44Å; F75-M79 VanDerWaalsContact O-CG 3.27Å; F75-M79 WeakPolarHBondContact O-CG 3.3Å; F75-M79 PolarHBondContact O-N 2.87Å; F75-M79 VanDerWaalsContact O-N 3.13Å; C76-M79 PolarHBondContact O-N 3.31Å; E77-M79 VanDerWaalsContact C-N 3.25Å; E77-M79 PolarHBondContact O-N 3.04Å; M79-F81 VanDerWaalsContact C-N 3.25Å; M79-F81 PolarHBondContact O-N 3.29Å; M79-M82 HydrophobicContact CE-CB 4.24Å; M79-M82 HydrophobicContact CE-CG 4.47Å; M79-M82 PolarHBondContact O-N 2.84Å; M79-M82 HydrophobicContact SD-CG 4.23Å; M79-F140 HydrophobicContact CB-CD1 3.51Å; M79-F140 HydrophobicContact CB-CE1 3.54Å; M79-F140 HydrophobicContact CE-CB 4.5Å; M79-F140 HydrophobicContact CE-CD1 4.3Å; M79-F140 HydrophobicContact CG-CD1 4.2Å; M79-T145 WeakPolarHBondContact CE-OG1 3.4Å; M79-E148 HydrophobicContact SD-CB 3.82Å; M79-E148 HydrophobicContact SD-CG 4.24Å; M79-L207 HydrophobicContact CG-CD1 4.11Å |
| 80 | L | 96.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -69.8 | -25.7 | 174.2 | -59 | -167.2 | 0 | 0 | 0 | 112.6 | C76 E77 H78 M82 Y115 F134 P138 F140 Y215 | C76-L80 WeakPolarHBondContact O-CG 3.38Å; C76-L80 PolarHBondContact O-N 3.19Å; E77-L80 PolarHBondContact O-N 2.65Å; H78-L80 VanDerWaalsContact C-N 3.29Å; H78-L80 PolarHBondContact O-N 3.49Å; L80-M82 PolarHBondContact O-N 2.92Å; L80-Y115 HydrophobicContact CB-CE1 4.3Å; L80-Y115 HydrophobicContact CD1-CE1 3.71Å; L80-Y115 HydrophobicContact CD1-CE2 4.28Å; L80-Y115 VanDerWaalsContact CD1-OH 3.29Å; L80-Y115 WeakPolarHBondContact CD1-OH 3.39Å; L80-Y115 HydrophobicContact CG-CE1 4.27Å; L80-F134 HydrophobicContact CB-CB 4.16Å; L80-F134 HydrophobicContact CB-CD2 3.6Å; L80-F134 HydrophobicContact CB-CE2 4.13Å; L80-F134 HydrophobicContact CB-CG 3.94Å; L80-F134 HydrophobicContact CD1-CB 4.06Å; L80-F134 HydrophobicContact CD1-CD2 4.42Å; L80-F134 WeakPolarHBondContact O-CD1 3.45Å; L80-F134 VanDerWaalsContact O-CE1 3.28Å; L80-F134 WeakPolarHBondContact O-CE1 3.44Å; L80-F134 WeakPolarHBondContact O-CZ 3.45Å; L80-P138 HydrophobicContact CD2-CB 3.7Å; L80-P138 HydrophobicContact CD2-CG 3.83Å; L80-F140 HydrophobicContact CD2-CE1 4.19Å; L80-F140 HydrophobicContact CD2-CE2 4.38Å; L80-F140 HydrophobicContact CD2-CZ 3.66Å; L80-Y215 HydrophobicContact CD1-CE1 3.61Å |
| 81 | F | 94 | Very high | 95.4 | Very high | 42 Ų | 42 | 30.8 Ų | 30.8 | 18% | 0.184 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -16.3 | 175.5 | -65.1 | -94.7 | 0 | 0 | 0 | 112.6 | E77 H78 M79 G83 Y93 A106 Y115 F134 | E77-F81 WeakPolarHBondContact O-CD2 3.27Å; H78-F81 PolarHBondContact O-N 3.31Å; M79-F81 VanDerWaalsContact C-N 3.25Å; M79-F81 PolarHBondContact O-N 3.29Å; F81-G83 VanDerWaalsContact C-N 3.31Å; F81-G83 PolarHBondContact O-N 3.01Å; F81-Y93 AromaticContact CD1-CD1 3.91Å; F81-Y93 HydrophobicContact CD1-CD1 3.91Å; F81-Y93 AromaticContact CD1-CE1 3.93Å; F81-Y93 HydrophobicContact CD1-CE1 3.93Å; F81-Y93 HydrophobicContact CE1-CD1 4.28Å; F81-Y93 AromaticContact CE1-CE1 3.82Å; F81-Y93 HydrophobicContact CE1-CE1 3.82Å; F81-A106 HydrophobicContact CE2-CB 3.82Å; F81-A106 HydrophobicContact CZ-CB 3.8Å; F81-Y115 AromaticContact CE2-CD1 3.95Å; F81-Y115 HydrophobicContact CE2-CD1 3.95Å; F81-Y115 HydrophobicContact CE2-CE1 4.19Å; F81-Y115 HydrophobicContact CZ-CD1 4.12Å; F81-F134 AromaticContact CD1-CE2 3.91Å; F81-F134 HydrophobicContact CD1-CE2 3.91Å; F81-F134 HydrophobicContact CD1-CZ 4.05Å; F81-F134 HydrophobicContact CD2-CE2 4.36Å; F81-F134 HydrophobicContact CE1-CE2 4.07Å; F81-F134 HydrophobicContact CE2-CE2 4.49Å; F81-F134 HydrophobicContact CG-CE2 4.07Å; F81-F134 HydrophobicContact CG-CZ 4.3Å; F81-F134 HydrophobicContact CZ-CE2 4.35Å |
| 82 | M | 91.3 | Very high | 95.2 | Very high | 15 Ų | 15 | 33 Ų | 33 | 7% | 0.074 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -91.1 | 40.1 | -172.6 | -55.4 | -57 | 179 | 0 | 0 | 114.1 | M79 L80 E148 T790 | M79-M82 HydrophobicContact CE-CB 4.24Å; M79-M82 HydrophobicContact CE-CG 4.47Å; M79-M82 PolarHBondContact O-N 2.84Å; M79-M82 HydrophobicContact SD-CG 4.23Å; L80-M82 PolarHBondContact O-N 2.92Å; M82-E148 HydrophobicContact CE-CB 4.37Å; M82-E148 HydrophobicContact CE-CG 3.85Å; M82-E148 WeakPolarHBondContact CE-OE2 3.39Å; M82-T790 HydrophobicContact CE-CG2 3.73Å; M82-T790 HydrophobicContact SD-CG2 3.9Å |
| 83 | G | 94.4 | Very high | 95.1 | Very high | 5 Ų | 5 | 33.5 Ų | 33.5 | 5% | 0.052 | 17% | 0.168 | C | C | . | . | trans | 89.3 | 153 | 172.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | F81 Y87 L139 | F81-G83 VanDerWaalsContact C-N 3.31Å; F81-G83 PolarHBondContact O-N 3.01Å; G83-Y87 WeakPolarHBondContact CA-O 3.27Å; G83-L139 PolarHBondContact O-N 2.76Å | ||
| 84 | T | 97 | Very high | 94.8 | Very high | 2 Ų | 2 | 35.5 Ų | 35.5 | 1% | 0.012 | 18% | 0.177 | C | C | . | . | B | Isolated β-bridge | trans | -133.6 | 165.2 | -175.6 | 64.9 | 0 | 0 | 0 | 0 | 110.5 | K86 Y87 P88 P133 F134 C137 | T84-K86 PolarHBondContact O-N 3.4Å; T84-K86 VanDerWaalsContact O-N 3.13Å; T84-Y87 PolarHBondContact N-O 2.96Å; T84-Y87 CarbonylContact O-C 3.55Å; T84-Y87 PolarHBondContact O-N 2.83Å; T84-Y87 VanDerWaalsContact O-O 3.11Å; T84-Y87 PolarHBondContact OG1-N 3Å; T84-P88 VanDerWaalsContact O-CA 3.3Å; T84-P88 WeakPolarHBondContact O-CA 3.42Å; T84-P88 VanDerWaalsContact O-N 3.15Å; T84-P133 HydrophobicContact CG2-CB 3.83Å; T84-F134 HydrophobicContact CG2-CD1 3.9Å; T84-F134 HydrophobicContact CG2-CE1 4.4Å; T84-C137 CarbonylContact C-O 3.5Å; T84-C137 WeakPolarHBondContact CA-O 3.27Å; T84-C137 WeakPolarHBondContact CB-O 3.5Å |
| 85 | E | 96.1 | Very high | 94.5 | Very high | 145 Ų | 145 | 36.9 Ų | 36.9 | 68% | 0.678 | 19% | 0.186 | S | C | * | . | S | Bend | trans | -56.7 | -32.2 | -179.7 | -69.9 | -177.7 | 176.3 | 0 | 0 | 113.5 | C137 L139 | E85-C137 HydrophobicContact CB-CB 4.15Å; E85-C137 HydrophobicContact CG-CB 3.85Å; E85-C137 PolarHBondContact N-O 2.89Å; E85-L139 HydrophobicContact CG-CD2 4.02Å |
| 86 | K | 95.7 | Very high | 94.4 | Very high | 108 Ų | 108 | 38 Ų | 38 | 47% | 0.47 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -81.9 | -30.1 | 177.7 | -172.5 | 175.9 | 169.4 | -177.3 | 0 | 112.8 | T84 D129 P133 | T84-K86 PolarHBondContact O-N 3.4Å; T84-K86 VanDerWaalsContact O-N 3.13Å; K86-D129 IonicContact NZ-OD1 3.75Å; K86-D129 PolarHBondContact NZ-OD1 2.78Å; K86-D129 IonicContact NZ-OD2 2.75Å; K86-D129 PolarHBondContact NZ-OD2 3.39Å; K86-P133 HydrophobicContact CB-CG 4.45Å |
| 87 | Y | 97 | Very high | 94.2 | Very high | 40 Ų | 40 | 38 Ų | 38 | 16% | 0.157 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -131.6 | 79.8 | -179.1 | -61.9 | -78.6 | 0 | 0 | 0 | 109.3 | G83 T84 E92 D129 R130 P133 | G83-Y87 WeakPolarHBondContact CA-O 3.27Å; T84-Y87 PolarHBondContact N-O 2.96Å; T84-Y87 CarbonylContact O-C 3.55Å; T84-Y87 PolarHBondContact O-N 2.83Å; T84-Y87 VanDerWaalsContact O-O 3.11Å; T84-Y87 PolarHBondContact OG1-N 3Å; Y87-E92 HydrophobicContact CD1-CG 3.87Å; Y87-E92 HydrophobicContact CG-CG 4.28Å; Y87-D129 VanDerWaalsContact CE2-O 3.3Å; Y87-D129 WeakPolarHBondContact CE2-O 3.28Å; Y87-D129 PolarHBondContact OH-OD2 2.86Å; Y87-R130 HydrophobicContact CD1-CG 3.94Å; Y87-R130 HydrophobicContact CD2-CB 4.26Å; Y87-R130 HydrophobicContact CD2-CG 3.84Å; Y87-R130 HydrophobicContact CE1-CG 3.77Å; Y87-R130 HydrophobicContact CE2-CB 4.24Å; Y87-R130 HydrophobicContact CE2-CG 3.67Å; Y87-R130 HydrophobicContact CG-CG 3.98Å; Y87-P133 HydrophobicContact CD2-CG 4.44Å; Y87-P133 HydrophobicContact CE2-CG 4.47Å |
| 88 | P | 95.6 | Very high | 93.9 | Very high | 81 Ų | 81 | 37.5 Ų | 37.5 | 53% | 0.526 | 19% | 0.188 | S | C | . | . | trans | -81.9 | -12.9 | -167.2 | 31.7 | -37.4 | 0 | 0 | 0 | 114.6 | T84 E90 L139 | T84-P88 VanDerWaalsContact O-CA 3.3Å; T84-P88 WeakPolarHBondContact O-CA 3.42Å; T84-P88 VanDerWaalsContact O-N 3.15Å; P88-E90 PolarHBondContact O-N 2.91Å; P88-L139 HydrophobicContact CB-CD1 3.84Å | ||
| 89 | T | 92.6 | Very high | 93.7 | Very high | 81 Ų | 81 | 37.2 Ų | 37.2 | 50% | 0.497 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -70.6 | 122 | 172.7 | -55.5 | 0 | 0 | 0 | 0 | 108.9 | N91 E92 | T89-N91 VanDerWaalsContact C-N 3.34Å; T89-N91 PolarHBondContact O-N 2.83Å; T89-E92 VanDerWaalsContact O-CB 3.28Å; T89-E92 WeakPolarHBondContact O-CB 3.41Å; T89-E92 PolarHBondContact O-N 3.39Å; T89-E92 VanDerWaalsContact O-N 3.12Å |
| 90 | E | 88.7 | Confident | 93.5 | Very high | 38 Ų | 38 | 38.6 Ų | 38.6 | 18% | 0.178 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | -45.1 | -167.1 | -62.1 | -171.3 | 164 | 0 | 0 | 113.3 | P88 T141 R147 | P88-E90 PolarHBondContact O-N 2.91Å; E90-T141 PolarHBondContact OE1-OG1 3.1Å; E90-R147 IonicContact OE1-CZ 2.74Å; E90-R147 IonicContact OE1-NH2 2.86Å; E90-R147 PolarHBondContact OE1-NH2 2.85Å; E90-R147 IonicContact OE2-CZ 3.19Å; E90-R147 VanDerWaalsContact OE2-CZ 3.26Å; E90-R147 IonicContact OE2-NH1 2.82Å; E90-R147 PolarHBondContact OE2-NH1 3.47Å; E90-R147 IonicContact OE2-NH2 3.52Å; E90-R147 PolarHBondContact OE2-NH2 2.88Å |
| 91 | N | 88.3 | Confident | 93.1 | Very high | 41 Ų | 41 | 38.6 Ų | 38.6 | 22% | 0.219 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | 6.3 | -176.3 | 71.4 | -37.9 | 0 | 0 | 0 | 114.9 | T89 Y93 Q94 N95 E782 D786 | T89-N91 VanDerWaalsContact C-N 3.34Å; T89-N91 PolarHBondContact O-N 2.83Å; N91-Y93 VanDerWaalsContact C-N 3.25Å; N91-Y93 PolarHBondContact O-N 2.84Å; N91-Y93 VanDerWaalsContact O-N 3.13Å; N91-Q94 PolarHBondContact O-N 3.32Å; N91-Q94 VanDerWaalsContact O-N 3.07Å; N91-N95 WeakPolarHBondContact O-CB 3.38Å; N91-N95 PolarHBondContact O-N 2.85Å; N91-E782 VanDerWaalsContact CB-OE1 3.31Å; N91-E782 WeakPolarHBondContact CB-OE1 3.48Å; N91-E782 PolarHBondContact ND2-OE1 2.75Å; N91-E782 PolarHBondContact ND2-OE2 2.83Å; N91-D786 HydrophobicContact CB-CB 4.39Å |
| 92 | E | 94.2 | Very high | 93 | Very high | 47 Ų | 47 | 36.7 Ų | 36.7 | 22% | 0.22 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -52.2 | -40.7 | -175.5 | 171.2 | 58.4 | -159.1 | 0 | 0 | 113.4 | Y87 T89 F96 R130 | Y87-E92 HydrophobicContact CD1-CG 3.87Å; Y87-E92 HydrophobicContact CG-CG 4.28Å; T89-E92 VanDerWaalsContact O-CB 3.28Å; T89-E92 WeakPolarHBondContact O-CB 3.41Å; T89-E92 PolarHBondContact O-N 3.39Å; T89-E92 VanDerWaalsContact O-N 3.12Å; E92-F96 VanDerWaalsContact O-CB 3.23Å; E92-F96 WeakPolarHBondContact O-CB 3.4Å; E92-F96 PolarHBondContact O-N 2.99Å; E92-R130 IonicContact OE1-CZ 3.28Å; E92-R130 IonicContact OE1-NE 2.63Å; E92-R130 PolarHBondContact OE1-NE 2.76Å; E92-R130 IonicContact OE1-NH2 2.7Å; E92-R130 PolarHBondContact OE1-NH2 3.42Å |
| 93 | Y | 95.5 | Very high | 93 | Very high | 10 Ų | 10 | 39.1 Ų | 39.1 | 4% | 0.039 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -67 | -46.2 | 179.2 | 177.7 | -108.5 | 0 | 0 | 0 | 112.3 | F81 N91 F96 L97 S104 F117 R130 F131 F134 | F81-Y93 AromaticContact CD1-CD1 3.91Å; F81-Y93 HydrophobicContact CD1-CD1 3.91Å; F81-Y93 AromaticContact CD1-CE1 3.93Å; F81-Y93 HydrophobicContact CD1-CE1 3.93Å; F81-Y93 HydrophobicContact CE1-CD1 4.28Å; F81-Y93 AromaticContact CE1-CE1 3.82Å; F81-Y93 HydrophobicContact CE1-CE1 3.82Å; N91-Y93 VanDerWaalsContact C-N 3.25Å; N91-Y93 PolarHBondContact O-N 2.84Å; N91-Y93 VanDerWaalsContact O-N 3.13Å; Y93-F96 PolarHBondContact O-N 2.68Å; Y93-L97 HydrophobicContact CD1-CD1 4.16Å; Y93-L97 HydrophobicContact CE1-CD1 3.66Å; Y93-L97 HydrophobicContact CE2-CD1 4.03Å; Y93-L97 WeakPolarHBondContact O-CG 3.49Å; Y93-L97 PolarHBondContact O-N 3.23Å; Y93-S104 WeakPolarHBondContact CE1-OG 3.39Å; Y93-F117 WeakPolarHBondContact OH-CB 3.45Å; Y93-F117 WeakPolarHBondContact OH-CD1 3.47Å; Y93-R130 HydrophobicContact CD2-CB 3.79Å; Y93-R130 HydrophobicContact CE2-CB 4.49Å; Y93-F131 HydrophobicContact CE2-CB 4.02Å; Y93-F131 HydrophobicContact CE2-CD2 4.28Å; Y93-F131 AromaticContact CZ-CD2 3.99Å; Y93-F131 WeakPolarHBondContact OH-CD2 3.44Å; Y93-F134 HydrophobicContact CD1-CE1 4.48Å; Y93-F134 HydrophobicContact CD1-CE2 4.47Å; Y93-F134 AromaticContact CD1-CZ 3.68Å; Y93-F134 HydrophobicContact CD1-CZ 3.68Å; Y93-F134 HydrophobicContact CD2-CE1 4.47Å; Y93-F134 HydrophobicContact CD2-CZ 4.33Å; Y93-F134 HydrophobicContact CE1-CE2 4.31Å; Y93-F134 AromaticContact CE1-CZ 3.91Å; Y93-F134 HydrophobicContact CE1-CZ 3.91Å; Y93-F134 HydrophobicContact CG-CE1 4.23Å; Y93-F134 AromaticContact CG-CZ 3.87Å; Y93-F134 HydrophobicContact CG-CZ 3.87Å |
| 94 | Q | 92.2 | Very high | 93 | Very high | 41 Ų | 41 | 39.7 Ų | 39.7 | 19% | 0.192 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -71.5 | -37 | -178.8 | -174.3 | 55.9 | 56 | 0 | 0 | 111.8 | N91 T98 S104 E782 | N91-Q94 PolarHBondContact O-N 3.32Å; N91-Q94 VanDerWaalsContact O-N 3.07Å; Q94-T98 PolarHBondContact NE2-OG1 2.92Å; Q94-T98 WeakPolarHBondContact O-CB 3.32Å; Q94-T98 PolarHBondContact O-N 3.01Å; Q94-T98 PolarHBondContact O-OG1 2.74Å; Q94-S104 PolarHBondContact OE1-OG 3.17Å; Q94-E782 HydrophobicContact CB-CG 4.4Å; Q94-E782 HydrophobicContact CG-CG 3.85Å |
| 95 | N | 91.7 | Very high | 92.9 | Very high | 52 Ų | 52 | 44.3 Ų | 44.3 | 28% | 0.278 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -63.6 | -48.9 | 172.3 | -175.1 | 21.9 | 0 | 0 | 0 | 111.1 | N91 L97 T98 T99 E782 | N91-N95 WeakPolarHBondContact O-CB 3.38Å; N91-N95 PolarHBondContact O-N 2.85Å; N95-L97 VanDerWaalsContact C-N 3.34Å; N95-L97 PolarHBondContact O-N 3.4Å; N95-T98 PolarHBondContact O-N 2.88Å; N95-T98 VanDerWaalsContact O-N 3.15Å; N95-T99 PolarHBondContact O-N 3.13Å; N95-T99 PolarHBondContact O-OG1 3.35Å; N95-T99 WeakPolarHBondContact OD1-CG2 3.43Å; N95-E782 HydrophobicContact CB-CG 4.39Å |
| 96 | F | 95.5 | Very high | 92.9 | Very high | 22 Ų | 22 | 37.7 Ų | 37.7 | 10% | 0.096 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -56.2 | -45.9 | 176.1 | -178.2 | -90.5 | 0 | 0 | 0 | 112 | E92 Y93 T99 H100 H123 G126 A127 | E92-F96 VanDerWaalsContact O-CB 3.23Å; E92-F96 WeakPolarHBondContact O-CB 3.4Å; E92-F96 PolarHBondContact O-N 2.99Å; Y93-F96 PolarHBondContact O-N 2.68Å; F96-T99 PolarHBondContact O-OG1 3.15Å; F96-T99 VanDerWaalsContact O-OG1 3.09Å; F96-H100 AromaticContact CD2-CE1 3.73Å; F96-H100 AromaticContact CD2-ND1 3.65Å; F96-H100 AromaticContact CE2-CE1 3.56Å; F96-H100 AromaticContact CE2-ND1 3.6Å; F96-H100 AromaticContact CG-ND1 3.97Å; F96-H100 AromaticContact CZ-ND1 3.88Å; F96-H100 WeakPolarHBondContact O-CB 3.47Å; F96-H100 PolarHBondContact O-N 3.34Å; F96-H100 PolarHBondContact O-ND1 3.29Å; F96-H123 HydrophobicContact CE1-CB 4.37Å; F96-H123 HydrophobicContact CZ-CB 4.12Å; F96-G126 VanDerWaalsContact CE1-C 3.43Å; F96-A127 HydrophobicContact CD1-CB 4.35Å; F96-A127 HydrophobicContact CE1-CB 3.95Å; F96-A127 VanDerWaalsContact CE1-N 3.34Å |
| 97 | L | 95 | Very high | 93 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64.5 | -43 | 177.5 | -70.8 | 174.8 | 0 | 0 | 0 | 111.8 | Y93 N95 H100 G101 G102 S104 F117 V119 A127 | Y93-L97 HydrophobicContact CD1-CD1 4.16Å; Y93-L97 HydrophobicContact CE1-CD1 3.66Å; Y93-L97 HydrophobicContact CE2-CD1 4.03Å; Y93-L97 WeakPolarHBondContact O-CG 3.49Å; Y93-L97 PolarHBondContact O-N 3.23Å; N95-L97 VanDerWaalsContact C-N 3.34Å; N95-L97 PolarHBondContact O-N 3.4Å; L97-H100 CarbonylContact O-C 3.48Å; L97-H100 PolarHBondContact O-N 3.46Å; L97-G101 PolarHBondContact O-N 3.49Å; L97-G102 CarbonylContact O-C 3.52Å; L97-G102 WeakPolarHBondContact O-CA 3.41Å; L97-G102 PolarHBondContact O-N 2.8Å; L97-S104 WeakPolarHBondContact CD1-OG 3.3Å; L97-F117 HydrophobicContact CD1-CB 3.93Å; L97-F117 HydrophobicContact CD2-CB 4.3Å; L97-F117 HydrophobicContact CD2-CD2 3.93Å; L97-F117 HydrophobicContact CD2-CG 4.32Å; L97-V119 HydrophobicContact CD2-CB 3.93Å; L97-V119 HydrophobicContact CD2-CG2 4.01Å; L97-A127 HydrophobicContact CD2-CB 3.98Å |
| 98 | T | 89.8 | Confident | 93 | Very high | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.006 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -66.2 | -40.9 | -177.3 | -55.4 | 0 | 0 | 0 | 0 | 112.5 | Q94 N95 H100 Q778 Q781 E782 S849 | Q94-T98 PolarHBondContact NE2-OG1 2.92Å; Q94-T98 WeakPolarHBondContact O-CB 3.32Å; Q94-T98 PolarHBondContact O-N 3.01Å; Q94-T98 PolarHBondContact O-OG1 2.74Å; N95-T98 PolarHBondContact O-N 2.88Å; N95-T98 VanDerWaalsContact O-N 3.15Å; T98-H100 PolarHBondContact O-N 2.75Å; T98-Q778 PolarHBondContact O-NE2 2.72Å; T98-Q781 HydrophobicContact CG2-CB 4.23Å; T98-Q781 HydrophobicContact CG2-CG 3.78Å; T98-E782 HydrophobicContact CG2-CB 3.87Å; T98-S849 PolarHBondContact O-OG 2.64Å |
| 99 | T | 90.1 | Very high | 93 | Very high | 10 Ų | 10 | 33.7 Ų | 33.7 | 6% | 0.061 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -70.9 | -14.3 | 176.2 | 48.9 | 0 | 0 | 0 | 0 | 113.5 | N95 F96 S849 | N95-T99 PolarHBondContact O-N 3.13Å; N95-T99 PolarHBondContact O-OG1 3.35Å; N95-T99 WeakPolarHBondContact OD1-CG2 3.43Å; F96-T99 PolarHBondContact O-OG1 3.15Å; F96-T99 VanDerWaalsContact O-OG1 3.09Å; T99-S849 WeakPolarHBondContact O-CB 3.39Å |
| 100 | H | 92.9 | Very high | 93.2 | Very high | 29 Ų | 29 | 30.8 Ų | 30.8 | 13% | 0.134 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -121.3 | 37 | -178.1 | -60.6 | 94.3 | 0 | 0 | 0 | 114 | F96 L97 T98 G102 V119 A120 H123 | F96-H100 AromaticContact CD2-CE1 3.73Å; F96-H100 AromaticContact CD2-ND1 3.65Å; F96-H100 AromaticContact CE2-CE1 3.56Å; F96-H100 AromaticContact CE2-ND1 3.6Å; F96-H100 AromaticContact CG-ND1 3.97Å; F96-H100 AromaticContact CZ-ND1 3.88Å; F96-H100 WeakPolarHBondContact O-CB 3.47Å; F96-H100 PolarHBondContact O-N 3.34Å; F96-H100 PolarHBondContact O-ND1 3.29Å; L97-H100 CarbonylContact O-C 3.48Å; L97-H100 PolarHBondContact O-N 3.46Å; T98-H100 PolarHBondContact O-N 2.75Å; H100-G102 PolarHBondContact O-N 3.25Å; H100-V119 HydrophobicContact CB-CG2 3.85Å; H100-V119 VanDerWaalsContact O-CG2 3.3Å; H100-V119 WeakPolarHBondContact O-CG2 3.29Å; H100-A120 WeakPolarHBondContact O-CB 3.33Å; H100-A120 PolarHBondContact O-N 3.28Å; H100-H123 HydrophobicContact CB-CB 4Å; H100-H123 AromaticContact CD2-CD2 3.75Å; H100-H123 AromaticContact CD2-CE1 3.31Å; H100-H123 PolarHBondContact CD2-CE1 3.09Å; H100-H123 AromaticContact CD2-CG 3.46Å; H100-H123 VanDerWaalsContact CD2-CG 3.46Å; H100-H123 AromaticContact CD2-ND1 3.17Å; H100-H123 PolarHBondContact CD2-ND1 3.22Å; H100-H123 AromaticContact CD2-NE2 3.67Å; H100-H123 AromaticContact CG-CG 3.83Å; H100-H123 AromaticContact CG-ND1 3.94Å; H100-H123 AromaticContact NE2-CE1 3.9Å; H100-H123 AromaticContact NE2-ND1 3.74Å |
| 101 | G | 88.3 | Confident | 93.5 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.2 | 6.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | K51 L97 S849 | K51-G101 WeakPolarHBondContact CE-O 3.48Å; K51-G101 PolarHBondContact NZ-O 3.48Å; L97-G101 PolarHBondContact O-N 3.49Å; G101-S849 VanDerWaalsContact CA-OG 3.26Å; G101-S849 WeakPolarHBondContact CA-OG 3.39Å; G101-S849 PolarHBondContact N-OG 2.94Å |
| 102 | G | 91.5 | Very high | 94 | Very high | 2 Ų | 2 | 29.1 Ų | 29.1 | 2% | 0.021 | 15% | 0.154 | C | C | . | . | trans | -100.3 | -175.2 | -170.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | L97 H100 E118 | L97-G102 CarbonylContact O-C 3.52Å; L97-G102 WeakPolarHBondContact O-CA 3.41Å; L97-G102 PolarHBondContact O-N 2.8Å; H100-G102 PolarHBondContact O-N 3.25Å; G102-E118 CarbonylContact C-O 3.09Å; G102-E118 WeakPolarHBondContact CA-O 3.5Å | ||
| 103 | N | 90.9 | Very high | 94.2 | Very high | 66 Ų | 66 | 27 Ų | 27 | 35% | 0.353 | 14% | 0.144 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -167.9 | 162.9 | 169.9 | 52.8 | 86.3 | 0 | 0 | 0 | 109.1 | F117 E118 | N103-F117 CarbonylContact O-C 3.47Å; N103-F117 VanDerWaalsContact O-CA 3.28Å; N103-F117 WeakPolarHBondContact O-CA 3.48Å; N103-F117 WeakPolarHBondContact O-CB 3.27Å; N103-E118 PolarHBondContact N-O 3.05Å; N103-E118 WeakPolarHBondContact ND2-CG 3.46Å; N103-E118 PolarHBondContact ND2-OE1 3.1Å; N103-E118 PolarHBondContact O-N 3.28Å; N103-E118 WeakPolarHBondContact OD1-CG 3.33Å |
| 104 | S | 95.1 | Very high | 94.3 | Very high | 18 Ų | 18 | 26.5 Ų | 26.5 | 13% | 0.126 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 161.3 | 175 | 46 | 0 | 0 | 0 | 0 | 111.3 | Y93 Q94 L97 H116 | Y93-S104 WeakPolarHBondContact CE1-OG 3.39Å; Q94-S104 PolarHBondContact OE1-OG 3.17Å; L97-S104 WeakPolarHBondContact CD1-OG 3.3Å; S104-H116 VanDerWaalsContact CA-O 3.24Å; S104-H116 WeakPolarHBondContact CA-O 3.15Å; S104-H116 WeakPolarHBondContact CB-O 3.17Å |
| 105 | N | 94.2 | Very high | 94.6 | Very high | 98 Ų | 98 | 24.5 Ų | 24.5 | 52% | 0.524 | 13% | 0.133 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 173 | 165.1 | -161 | 28.4 | 0 | 0 | 0 | 109.4 | H116 | N105-H116 PolarHBondContact N-O 2.65Å; N105-H116 PolarHBondContact O-N 3.39Å |
| 106 | A | 96.9 | Very high | 95 | Very high | 7 Ų | 7 | 23.5 Ų | 23.5 | 6% | 0.058 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 176.5 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | E77 F81 N114 Y115 | E77-A106 VanDerWaalsContact CD-CB 3.47Å; E77-A106 HydrophobicContact CG-CB 3.58Å; E77-A106 VanDerWaalsContact OE1-CB 3.28Å; E77-A106 WeakPolarHBondContact OE1-CB 3.48Å; F81-A106 HydrophobicContact CE2-CB 3.82Å; F81-A106 HydrophobicContact CZ-CB 3.8Å; A106-N114 CarbonylContact C-O 3.55Å; A106-N114 WeakPolarHBondContact CA-O 3.13Å; A106-N114 WeakPolarHBondContact CB-O 3.32Å; A106-Y115 HydrophobicContact CB-CD1 3.7Å; A106-Y115 HydrophobicContact CB-CE1 4.2Å; A106-Y115 HydrophobicContact CB-CG 4.22Å |
| 107 | F | 97.1 | Very high | 95.1 | Very high | 79 Ų | 79 | 22.5 Ų | 22.5 | 35% | 0.346 | 12% | 0.122 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 147.8 | 165.1 | 59.7 | -93 | 0 | 0 | 0 | 110.9 | E77 H112 T113 N114 T401 | E77-F107 WeakPolarHBondContact OE2-CA 3.12Å; F107-H112 AromaticContact CE2-CD2 3.94Å; F107-H112 AromaticContact CE2-NE2 3.69Å; F107-T113 WeakPolarHBondContact O-CA 3.22Å; F107-N114 HydrophobicContact CD1-CB 4.13Å; F107-N114 HydrophobicContact CD2-CB 4.32Å; F107-N114 HydrophobicContact CE1-CB 3.61Å; F107-N114 HydrophobicContact CE2-CB 3.82Å; F107-N114 HydrophobicContact CG-CB 4.46Å; F107-N114 HydrophobicContact CZ-CB 3.44Å; F107-N114 VanDerWaalsContact CZ-CB 3.44Å; F107-N114 PolarHBondContact N-O 3.4Å; F107-N114 PolarHBondContact O-N 3.09Å; F107-T401 HydrophobicContact CE1-CG2 3.96Å; F107-T401 HydrophobicContact CZ-CG2 4.43Å |
| 108 | T | 97.9 | Very high | 95.2 | Very high | 27 Ų | 27 | 23.3 Ų | 23.3 | 17% | 0.166 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 123.5 | 172.6 | -63.1 | 0 | 0 | 0 | 0 | 110.5 | A73 H74 E77 T113 | A73-T108 HydrophobicContact CB-CG2 3.95Å; H74-T108 HydrophobicContact CB-CG2 4.2Å; E77-T108 WeakPolarHBondContact CB-OG1 3.46Å; E77-T108 PolarHBondContact OE2-N 3.05Å; E77-T108 PolarHBondContact OE2-OG1 2.96Å; T108-T113 WeakPolarHBondContact CG2-OG1 3.38Å; T108-T113 WeakPolarHBondContact OG1-CG2 3.49Å; T108-T113 PolarHBondContact OG1-OG1 3.22Å |
| 109 | S | 95.5 | Very high | 95.5 | Very high | 39 Ų | 39 | 23.2 Ų | 23.2 | 27% | 0.273 | 13% | 0.125 | S | C | . | . | trans | -103.4 | -166.8 | 177 | -164.1 | 0 | 0 | 0 | 0 | 110.7 | H62 H112 | H62-S109 PolarHBondContact N-O 3.46Å; H62-S109 PolarHBondContact ND1-O 2.91Å; S109-H112 WeakPolarHBondContact CA-O 3.43Å; S109-H112 VanDerWaalsContact CB-CE1 3.44Å; S109-H112 WeakPolarHBondContact CB-CE1 3.4Å; S109-H112 WeakPolarHBondContact CB-O 3.48Å; S109-H112 PolarHBondContact N-O 3.09Å; S109-H112 PolarHBondContact OG-CE1 2.95Å | ||
| 110 | T | 96.1 | Very high | 95.7 | Very high | 20 Ų | 20 | 23.3 Ų | 23.3 | 12% | 0.123 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -60.2 | -56.6 | 173.4 | 42.3 | 0 | 0 | 0 | 0 | 112.2 | G61 H62 L63 Y181 L332 | G61-T110 CarbonylContact C-O 3.59Å; G61-T110 VanDerWaalsContact CA-O 3.27Å; G61-T110 WeakPolarHBondContact CA-O 3.21Å; H62-T110 VanDerWaalsContact CE1-CA 3.49Å; H62-T110 WeakPolarHBondContact CE1-CA 3.36Å; H62-T110 PolarHBondContact N-O 2.98Å; H62-T110 VanDerWaalsContact N-O 3.15Å; L63-T110 VanDerWaalsContact CB-O 3.3Å; L63-T110 WeakPolarHBondContact CB-O 3.17Å; L63-T110 HydrophobicContact CD1-CG2 4.44Å; L63-T110 HydrophobicContact CD2-CG2 4.42Å; L63-T110 HydrophobicContact CG-CG2 4.3Å; L63-T110 VanDerWaalsContact CG-O 3.26Å; L63-T110 WeakPolarHBondContact CG-O 3.47Å; L63-T110 PolarHBondContact N-O 2.83Å; T110-Y181 HydrophobicContact CG2-CE2 4.39Å; T110-L332 VanDerWaalsContact CB-O 3.28Å; T110-L332 WeakPolarHBondContact CB-O 3.18Å; T110-L332 WeakPolarHBondContact CG2-O 3.44Å; T110-L332 PolarHBondContact OG1-O 2.66Å |
| 111 | D | 95.7 | Very high | 95.8 | Very high | 13 Ų | 13 | 22 Ų | 22 | 7% | 0.07 | 12% | 0.121 | C | C | . | . | S | Bend | trans | -119.3 | 6 | -171.2 | 66.2 | -6.8 | 0 | 0 | 0 | 114.9 | N59 I60 W254 A333 R334 | N59-D111 CarbonylContact C-O 3.6Å; I60-D111 CarbonylContact C-O 3.52Å; I60-D111 PolarHBondContact N-O 2.71Å; D111-W254 HydrophobicContact CB-CH2 4.13Å; D111-W254 HydrophobicContact CB-CZ3 3.77Å; D111-A333 HydrophobicContact CB-CB 3.93Å; D111-A333 VanDerWaalsContact OD2-CA 3.31Å; D111-A333 WeakPolarHBondContact OD2-CA 3.24Å; D111-R334 PolarHBondContact OD2-N 2.74Å |
| 112 | H | 97.2 | Very high | 96.1 | Very high | 31 Ų | 31 | 27 Ų | 27 | 14% | 0.144 | 15% | 0.153 | C | C | . | . | trans | -150.2 | 156.4 | 176.7 | 60.5 | -80.3 | 0 | 0 | 0 | 113.3 | D57 L58 I60 F107 S109 | D57-H112 IonicContact OD2-CD2 3.64Å; L58-H112 CarbonylContact O-C 3.56Å; L58-H112 WeakPolarHBondContact O-CA 3.48Å; L58-H112 VanDerWaalsContact O-CB 3.32Å; L58-H112 WeakPolarHBondContact O-CB 3.45Å; I60-H112 CarbonylContact O-C 3.57Å; I60-H112 VanDerWaalsContact O-CA 3.25Å; I60-H112 WeakPolarHBondContact O-CA 3.25Å; F107-H112 AromaticContact CE2-CD2 3.94Å; F107-H112 AromaticContact CE2-NE2 3.69Å; S109-H112 WeakPolarHBondContact CA-O 3.43Å; S109-H112 VanDerWaalsContact CB-CE1 3.44Å; S109-H112 WeakPolarHBondContact CB-CE1 3.4Å; S109-H112 WeakPolarHBondContact CB-O 3.48Å; S109-H112 PolarHBondContact N-O 3.09Å; S109-H112 PolarHBondContact OG-CE1 2.95Å | ||
| 113 | T | 98.7 | Very high | 96.4 | Very high | 1 Ų | 1 | 30.2 Ų | 30.2 | 1% | 0.006 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 126.3 | 170.1 | -64.7 | 0 | 0 | 0 | 0 | 108.6 | L58 I60 E77 F107 T108 Y115 | L58-T113 PolarHBondContact N-O 2.79Å; L58-T113 PolarHBondContact O-N 2.86Å; I60-T113 PolarHBondContact O-N 3.31Å; I60-T113 PolarHBondContact O-OG1 2.8Å; E77-T113 HydrophobicContact CB-CG2 3.86Å; E77-T113 HydrophobicContact CG-CG2 3.7Å; F107-T113 WeakPolarHBondContact O-CA 3.22Å; T108-T113 WeakPolarHBondContact CG2-OG1 3.38Å; T108-T113 WeakPolarHBondContact OG1-CG2 3.49Å; T108-T113 PolarHBondContact OG1-OG1 3.22Å; T113-Y115 HydrophobicContact CG2-CD2 4.34Å; T113-Y115 HydrophobicContact CG2-CE1 4.43Å; T113-Y115 HydrophobicContact CG2-CE2 3.52Å; T113-Y115 WeakPolarHBondContact CG2-OH 3.49Å |
| 114 | N | 98.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 129.8 | -176.3 | -173.5 | -76 | 0 | 0 | 0 | 111.1 | S55 D57 A106 F107 H116 S405 | S55-N114 PolarHBondContact OG-ND2 3.12Å; S55-N114 PolarHBondContact OG-OD1 2.74Å; S55-N114 VanDerWaalsContact OG-OD1 3.04Å; D57-N114 PolarHBondContact OD2-ND2 2.69Å; A106-N114 CarbonylContact C-O 3.55Å; A106-N114 WeakPolarHBondContact CA-O 3.13Å; A106-N114 WeakPolarHBondContact CB-O 3.32Å; F107-N114 HydrophobicContact CD1-CB 4.13Å; F107-N114 HydrophobicContact CD2-CB 4.32Å; F107-N114 HydrophobicContact CE1-CB 3.61Å; F107-N114 HydrophobicContact CE2-CB 3.82Å; F107-N114 HydrophobicContact CG-CB 4.46Å; F107-N114 HydrophobicContact CZ-CB 3.44Å; F107-N114 VanDerWaalsContact CZ-CB 3.44Å; F107-N114 PolarHBondContact N-O 3.4Å; F107-N114 PolarHBondContact O-N 3.09Å; N114-H116 PolarHBondContact OD1-ND1 2.73Å; N114-S405 PolarHBondContact ND2-OG 2.93Å |
| 115 | Y | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 140.1 | 172.7 | -52.9 | -99.1 | 0 | 0 | 0 | 109.5 | S55 L56 E77 L80 F81 A106 T113 F134 F135 Y215 | S55-Y115 CarbonylContact C-O 3.59Å; S55-Y115 WeakPolarHBondContact CA-O 3.4Å; S55-Y115 WeakPolarHBondContact CB-O 2.98Å; S55-Y115 PolarHBondContact OG-O 3.01Å; L56-Y115 PolarHBondContact N-O 3.45Å; L56-Y115 PolarHBondContact O-N 3.29Å; E77-Y115 WeakPolarHBondContact CA-OH 3.29Å; E77-Y115 HydrophobicContact CB-CE1 4.14Å; E77-Y115 HydrophobicContact CG-CD1 4.28Å; E77-Y115 HydrophobicContact CG-CE1 3.51Å; L80-Y115 HydrophobicContact CB-CE1 4.3Å; L80-Y115 HydrophobicContact CD1-CE1 3.71Å; L80-Y115 HydrophobicContact CD1-CE2 4.28Å; L80-Y115 VanDerWaalsContact CD1-OH 3.29Å; L80-Y115 WeakPolarHBondContact CD1-OH 3.39Å; L80-Y115 HydrophobicContact CG-CE1 4.27Å; F81-Y115 AromaticContact CE2-CD1 3.95Å; F81-Y115 HydrophobicContact CE2-CD1 3.95Å; F81-Y115 HydrophobicContact CE2-CE1 4.19Å; F81-Y115 HydrophobicContact CZ-CD1 4.12Å; A106-Y115 HydrophobicContact CB-CD1 3.7Å; A106-Y115 HydrophobicContact CB-CE1 4.2Å; A106-Y115 HydrophobicContact CB-CG 4.22Å; T113-Y115 HydrophobicContact CG2-CD2 4.34Å; T113-Y115 HydrophobicContact CG2-CE1 4.43Å; T113-Y115 HydrophobicContact CG2-CE2 3.52Å; T113-Y115 WeakPolarHBondContact CG2-OH 3.49Å; Y115-F134 HydrophobicContact CD1-CD2 4.45Å; Y115-F135 AromaticContact CD2-CE1 3.7Å; Y115-F135 HydrophobicContact CD2-CE1 3.7Å; Y115-F135 HydrophobicContact CD2-CZ 4Å; Y115-F135 AromaticContact CE2-CE1 3.92Å; Y115-F135 HydrophobicContact CE2-CE1 3.92Å; Y115-F135 HydrophobicContact CG-CE1 4.26Å; Y115-F135 HydrophobicContact CG-CZ 4.18Å; Y115-Y215 HydrophobicContact CE2-CE1 4.43Å; Y115-Y215 PolarHBondContact OH-OH 3.48Å |
| 116 | H | 98.5 | Very high | 96.9 | Very high | 30 Ų | 30 | 25.3 Ų | 25.3 | 14% | 0.139 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 154.6 | -179.7 | 52.5 | -88.9 | 0 | 0 | 0 | 114 | A54 S104 N105 N114 T401 | A54-H116 CarbonylContact O-C 3.59Å; A54-H116 VanDerWaalsContact O-CA 3.29Å; A54-H116 WeakPolarHBondContact O-CA 3.3Å; S104-H116 VanDerWaalsContact CA-O 3.24Å; S104-H116 WeakPolarHBondContact CA-O 3.15Å; S104-H116 WeakPolarHBondContact CB-O 3.17Å; N105-H116 PolarHBondContact N-O 2.65Å; N105-H116 PolarHBondContact O-N 3.39Å; N114-H116 PolarHBondContact OD1-ND1 2.73Å; H116-T401 VanDerWaalsContact CB-OG1 3.29Å; H116-T401 WeakPolarHBondContact CB-OG1 3.3Å; H116-T401 PolarHBondContact ND1-OG1 2.78Å |
| 117 | F | 98.5 | Very high | 97 | Very high | 1 Ų | 1 | 25 Ų | 25 | 0% | 0.004 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 160.6 | 173.3 | 72.1 | -95.5 | 0 | 0 | 0 | 112.7 | A53 A54 Y93 L97 N103 V119 L124 A127 L128 F131 | A53-F117 WeakPolarHBondContact CA-O 3.31Å; A53-F117 VanDerWaalsContact CB-O 3.26Å; A53-F117 WeakPolarHBondContact CB-O 3.25Å; A54-F117 HydrophobicContact CB-CD1 4.34Å; A54-F117 HydrophobicContact CB-CE1 3.66Å; A54-F117 HydrophobicContact CB-CZ 3.75Å; A54-F117 PolarHBondContact N-O 3.42Å; A54-F117 PolarHBondContact O-N 2.89Å; Y93-F117 WeakPolarHBondContact OH-CB 3.45Å; Y93-F117 WeakPolarHBondContact OH-CD1 3.47Å; L97-F117 HydrophobicContact CD1-CB 3.93Å; L97-F117 HydrophobicContact CD2-CB 4.3Å; L97-F117 HydrophobicContact CD2-CD2 3.93Å; L97-F117 HydrophobicContact CD2-CG 4.32Å; N103-F117 CarbonylContact O-C 3.47Å; N103-F117 VanDerWaalsContact O-CA 3.28Å; N103-F117 WeakPolarHBondContact O-CA 3.48Å; N103-F117 WeakPolarHBondContact O-CB 3.27Å; F117-V119 HydrophobicContact CD2-CB 4.39Å; F117-V119 HydrophobicContact CD2-CG1 4.37Å; F117-V119 HydrophobicContact CE2-CB 4.48Å; F117-V119 HydrophobicContact CE2-CG1 4Å; F117-L124 HydrophobicContact CE2-CD1 4.14Å; F117-L124 HydrophobicContact CZ-CD1 4.17Å; F117-A127 HydrophobicContact CD2-CB 4.01Å; F117-A127 HydrophobicContact CE1-CB 4.43Å; F117-A127 HydrophobicContact CE2-CB 3.37Å; F117-A127 HydrophobicContact CZ-CB 3.62Å; F117-L128 HydrophobicContact CE1-CD2 4.14Å; F117-L128 HydrophobicContact CZ-CD2 3.87Å; F117-L128 HydrophobicContact CZ-CG 4.09Å; F117-F131 HydrophobicContact CD1-CB 4.43Å; F117-F131 HydrophobicContact CD1-CD1 4.32Å; F117-F131 HydrophobicContact CD1-CD2 4.13Å; F117-F131 HydrophobicContact CD1-CE2 4.44Å; F117-F131 HydrophobicContact CD1-CG 4.06Å; F117-F131 HydrophobicContact CE1-CB 3.91Å; F117-F131 AromaticContact CE1-CD1 3.81Å; F117-F131 HydrophobicContact CE1-CD1 3.81Å; F117-F131 HydrophobicContact CE1-CD2 4.32Å; F117-F131 HydrophobicContact CE1-CE1 4.38Å; F117-F131 AromaticContact CE1-CG 3.77Å; F117-F131 HydrophobicContact CE1-CG 3.77Å |
| 118 | E | 97 | Very high | 97 | Very high | 17 Ų | 17 | 21.2 Ų | 21.2 | 8% | 0.079 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 150.3 | 161 | 51.5 | 172.6 | -124.7 | 0 | 0 | 109.9 | K51 A52 A53 G102 N103 S397 | K51-E118 HydrophobicContact CD-CB 4.26Å; K51-E118 HydrophobicContact CD-CG 4.31Å; K51-E118 WeakPolarHBondContact CD-OE1 3.49Å; K51-E118 IonicContact NZ-OE1 2.76Å; K51-E118 PolarHBondContact NZ-OE1 3.34Å; A52-E118 CarbonylContact O-C 3.28Å; A52-E118 VanDerWaalsContact O-CA 3.3Å; A52-E118 WeakPolarHBondContact O-CA 3.48Å; A53-E118 HydrophobicContact CB-CB 4.29Å; G102-E118 CarbonylContact C-O 3.09Å; G102-E118 WeakPolarHBondContact CA-O 3.5Å; N103-E118 PolarHBondContact N-O 3.05Å; N103-E118 WeakPolarHBondContact ND2-CG 3.46Å; N103-E118 PolarHBondContact ND2-OE1 3.1Å; N103-E118 PolarHBondContact O-N 3.28Å; N103-E118 WeakPolarHBondContact OD1-CG 3.33Å; E118-S397 WeakPolarHBondContact OE2-CB 3.4Å; E118-S397 PolarHBondContact OE2-OG 2.75Å |
| 119 | V | 96.5 | Very high | 97 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 157.4 | -179.5 | 72 | 0 | 0 | 0 | 0 | 109.9 | K51 A52 L97 H100 F117 S121 H123 A127 | K51-V119 CarbonylContact C-O 3.48Å; K51-V119 WeakPolarHBondContact CA-O 3.47Å; K51-V119 WeakPolarHBondContact CB-O 3.25Å; A52-V119 HydrophobicContact CB-CG1 4.36Å; A52-V119 PolarHBondContact N-O 3.34Å; A52-V119 PolarHBondContact O-N 2.95Å; L97-V119 HydrophobicContact CD2-CB 3.93Å; L97-V119 HydrophobicContact CD2-CG2 4.01Å; H100-V119 HydrophobicContact CB-CG2 3.85Å; H100-V119 VanDerWaalsContact O-CG2 3.3Å; H100-V119 WeakPolarHBondContact O-CG2 3.29Å; F117-V119 HydrophobicContact CD2-CB 4.39Å; F117-V119 HydrophobicContact CD2-CG1 4.37Å; F117-V119 HydrophobicContact CE2-CB 4.48Å; F117-V119 HydrophobicContact CE2-CG1 4Å; V119-S121 PolarHBondContact O-N 3.42Å; V119-H123 HydrophobicContact CG2-CB 3.95Å; V119-A127 HydrophobicContact CB-CB 4.45Å; V119-A127 HydrophobicContact CG1-CB 4.11Å |
| 120 | A | 94.6 | Very high | 97.1 | Very high | 11 Ų | 11 | 22.1 Ų | 22.1 | 9% | 0.091 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.4 | 133.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110 | H100 P122 H123 A852 | H100-A120 WeakPolarHBondContact O-CB 3.33Å; H100-A120 PolarHBondContact O-N 3.28Å; A120-P122 WeakPolarHBondContact O-CD 3.41Å; A120-P122 VanDerWaalsContact O-N 3.09Å; A120-H123 PolarHBondContact O-N 3.12Å; A120-A852 HydrophobicContact CB-CB 4.1Å |
| 121 | S | 94.7 | Very high | 97.2 | Very high | 2 Ų | 2 | 21.2 Ų | 21.2 | 1% | 0.014 | 12% | 0.117 | C | C | . | . | G | 310 helix | trans | -49.9 | -41.8 | -163.6 | -54.9 | 0 | 0 | 0 | 0 | 116.3 | T49 E50 A52 V119 H123 L124 | T49-S121 PolarHBondContact O-OG 2.95Å; T49-S121 VanDerWaalsContact O-OG 3.13Å; E50-S121 PolarHBondContact O-N 2.83Å; E50-S121 VanDerWaalsContact O-N 3.07Å; E50-S121 PolarHBondContact O-OG 2.7Å; A52-S121 PolarHBondContact N-OG 3.26Å; V119-S121 PolarHBondContact O-N 3.42Å; S121-H123 PolarHBondContact O-N 2.96Å; S121-L124 PolarHBondContact O-N 3.46Å |
| 122 | P | 94.8 | Very high | 97.3 | Very high | 105 Ų | 105 | 20.6 Ų | 20.6 | 68% | 0.682 | 11% | 0.114 | S | C | * | . | G | 310 helix | trans | -61.2 | -13.8 | 179.5 | -23.6 | 35.4 | 0 | 0 | 0 | 115.3 | A120 | A120-P122 WeakPolarHBondContact O-CD 3.41Å; A120-P122 VanDerWaalsContact O-N 3.09Å |
| 123 | H | 96.5 | Very high | 97.3 | Very high | 70 Ų | 70 | 19.6 Ų | 19.6 | 32% | 0.324 | 11% | 0.11 | S | C | . | . | G | 310 helix | trans | -107.9 | 8.6 | -174.7 | -54.6 | -78.3 | 0 | 0 | 0 | 113.2 | F96 H100 V119 A120 S121 M125 G126 A127 | F96-H123 HydrophobicContact CE1-CB 4.37Å; F96-H123 HydrophobicContact CZ-CB 4.12Å; H100-H123 HydrophobicContact CB-CB 4Å; H100-H123 AromaticContact CD2-CD2 3.75Å; H100-H123 AromaticContact CD2-CE1 3.31Å; H100-H123 PolarHBondContact CD2-CE1 3.09Å; H100-H123 AromaticContact CD2-CG 3.46Å; H100-H123 VanDerWaalsContact CD2-CG 3.46Å; H100-H123 AromaticContact CD2-ND1 3.17Å; H100-H123 PolarHBondContact CD2-ND1 3.22Å; H100-H123 AromaticContact CD2-NE2 3.67Å; H100-H123 AromaticContact CG-CG 3.83Å; H100-H123 AromaticContact CG-ND1 3.94Å; H100-H123 AromaticContact NE2-CE1 3.9Å; H100-H123 AromaticContact NE2-ND1 3.74Å; V119-H123 HydrophobicContact CG2-CB 3.95Å; A120-H123 PolarHBondContact O-N 3.12Å; S121-H123 PolarHBondContact O-N 2.96Å; H123-M125 VanDerWaalsContact C-N 3.32Å; H123-M125 PolarHBondContact O-N 3.37Å; H123-G126 PolarHBondContact O-N 3.2Å; H123-G126 VanDerWaalsContact O-N 3.15Å; H123-A127 PolarHBondContact O-N 2.79Å; H123-A127 VanDerWaalsContact O-N 3.07Å |
| 124 | L | 98 | Very high | 97.3 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -51.5 | -49 | 178.6 | 176.7 | 56.5 | 0 | 0 | 0 | 112 | A52 F117 S121 G126 A127 L128 V224 L233 | A52-L124 HydrophobicContact CB-CB 3.7Å; A52-L124 HydrophobicContact CB-CD1 3.86Å; A52-L124 HydrophobicContact CB-CD2 3.94Å; A52-L124 HydrophobicContact CB-CG 4Å; F117-L124 HydrophobicContact CE2-CD1 4.14Å; F117-L124 HydrophobicContact CZ-CD1 4.17Å; S121-L124 PolarHBondContact O-N 3.46Å; L124-G126 VanDerWaalsContact C-N 3.34Å; L124-G126 PolarHBondContact O-N 2.94Å; L124-A127 PolarHBondContact O-N 3.38Å; L124-L128 HydrophobicContact CD1-CD1 3.81Å; L124-L128 HydrophobicContact CD1-CD2 4.46Å; L124-L128 HydrophobicContact CD1-CG 3.84Å; L124-L128 HydrophobicContact CD2-CD1 4.4Å; L124-L128 HydrophobicContact CG-CD1 3.8Å; L124-L128 HydrophobicContact CG-CG 4.28Å; L124-L128 WeakPolarHBondContact O-CG 3.39Å; L124-L128 PolarHBondContact O-N 3.41Å; L124-V224 HydrophobicContact CD1-CG1 4.33Å; L124-V224 HydrophobicContact CD2-CG1 4.05Å; L124-L233 HydrophobicContact CD2-CD2 3.92Å |
| 125 | M | 97 | Very high | 97.3 | Very high | 55 Ų | 55 | 19.9 Ų | 19.9 | 27% | 0.271 | 11% | 0.111 | S | C | . | . | H | α-helix | trans | -63.6 | -38.7 | -178.5 | -59.7 | -53.8 | 136.2 | 0 | 0 | 112.6 | H123 A127 L128 D129 E228 L233 S236 | H123-M125 VanDerWaalsContact C-N 3.32Å; H123-M125 PolarHBondContact O-N 3.37Å; M125-A127 VanDerWaalsContact C-N 3.31Å; M125-A127 PolarHBondContact O-N 3.3Å; M125-L128 HydrophobicContact CE-CD1 4.26Å; M125-L128 PolarHBondContact O-N 2.91Å; M125-L128 HydrophobicContact SD-CD1 4.16Å; M125-D129 VanDerWaalsContact O-CB 3.29Å; M125-D129 WeakPolarHBondContact O-CB 3.45Å; M125-D129 PolarHBondContact O-N 2.73Å; M125-E228 HydrophobicContact CE-CG 4.38Å; M125-E228 VanDerWaalsContact CE-OE1 3.26Å; M125-E228 WeakPolarHBondContact CE-OE1 3.45Å; M125-L233 HydrophobicContact CE-CD2 4.19Å; M125-S236 WeakPolarHBondContact SD-CB 3.32Å |
| 126 | G | 97.2 | Very high | 97.1 | Very high | 23 Ų | 23 | 23.3 Ų | 23.3 | 24% | 0.237 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -69.1 | -28 | 177 | 0 | 0 | 0 | 0 | 0 | 113.7 | F96 H123 L124 R130 | F96-G126 VanDerWaalsContact CE1-C 3.43Å; H123-G126 PolarHBondContact O-N 3.2Å; H123-G126 VanDerWaalsContact O-N 3.15Å; L124-G126 VanDerWaalsContact C-N 3.34Å; L124-G126 PolarHBondContact O-N 2.94Å; G126-R130 PolarHBondContact O-NH1 3.42Å |
| 127 | A | 98.2 | Very high | 96.9 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -77 | -46.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | F96 L97 F117 V119 H123 L124 M125 D129 R130 F131 | F96-A127 HydrophobicContact CD1-CB 4.35Å; F96-A127 HydrophobicContact CE1-CB 3.95Å; F96-A127 VanDerWaalsContact CE1-N 3.34Å; L97-A127 HydrophobicContact CD2-CB 3.98Å; F117-A127 HydrophobicContact CD2-CB 4.01Å; F117-A127 HydrophobicContact CE1-CB 4.43Å; F117-A127 HydrophobicContact CE2-CB 3.37Å; F117-A127 HydrophobicContact CZ-CB 3.62Å; V119-A127 HydrophobicContact CB-CB 4.45Å; V119-A127 HydrophobicContact CG1-CB 4.11Å; H123-A127 PolarHBondContact O-N 2.79Å; H123-A127 VanDerWaalsContact O-N 3.07Å; L124-A127 PolarHBondContact O-N 3.38Å; M125-A127 VanDerWaalsContact C-N 3.31Å; M125-A127 PolarHBondContact O-N 3.3Å; A127-D129 VanDerWaalsContact C-N 3.31Å; A127-D129 PolarHBondContact O-N 2.79Å; A127-R130 PolarHBondContact O-N 3.26Å; A127-F131 VanDerWaalsContact O-CB 3.31Å; A127-F131 WeakPolarHBondContact O-CB 3.33Å; A127-F131 PolarHBondContact O-N 2.95Å |
| 128 | L | 98 | Very high | 96.8 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -59.2 | -39.7 | 176.6 | -73.3 | 173.2 | 0 | 0 | 0 | 112.4 | A54 F117 L124 M125 R130 F131 A132 V224 I237 L240 F241 | A54-L128 HydrophobicContact CB-CD2 3.76Å; F117-L128 HydrophobicContact CE1-CD2 4.14Å; F117-L128 HydrophobicContact CZ-CD2 3.87Å; F117-L128 HydrophobicContact CZ-CG 4.09Å; L124-L128 HydrophobicContact CD1-CD1 3.81Å; L124-L128 HydrophobicContact CD1-CD2 4.46Å; L124-L128 HydrophobicContact CD1-CG 3.84Å; L124-L128 HydrophobicContact CD2-CD1 4.4Å; L124-L128 HydrophobicContact CG-CD1 3.8Å; L124-L128 HydrophobicContact CG-CG 4.28Å; L124-L128 WeakPolarHBondContact O-CG 3.39Å; L124-L128 PolarHBondContact O-N 3.41Å; M125-L128 HydrophobicContact CE-CD1 4.26Å; M125-L128 PolarHBondContact O-N 2.91Å; M125-L128 HydrophobicContact SD-CD1 4.16Å; L128-R130 VanDerWaalsContact C-N 3.25Å; L128-R130 PolarHBondContact O-N 3.27Å; L128-F131 PolarHBondContact O-N 3.01Å; L128-A132 WeakPolarHBondContact O-CB 3.38Å; L128-A132 PolarHBondContact O-N 3.17Å; L128-V224 HydrophobicContact CD1-CG1 4.14Å; L128-V224 HydrophobicContact CD2-CG2 4.38Å; L128-I237 HydrophobicContact CD1-CG2 4.15Å; L128-L240 HydrophobicContact CB-CD1 3.86Å; L128-F241 HydrophobicContact CD2-CE2 4.21Å; L128-F241 HydrophobicContact CD2-CZ 4.31Å |
| 129 | D | 97.3 | Very high | 96.8 | Very high | 44 Ų | 44 | 25.1 Ų | 25.1 | 24% | 0.235 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -66.3 | -27 | 179.8 | -163.6 | 28.2 | 0 | 0 | 0 | 112.9 | K86 Y87 M125 A127 P133 L240 | K86-D129 IonicContact NZ-OD1 3.75Å; K86-D129 PolarHBondContact NZ-OD1 2.78Å; K86-D129 IonicContact NZ-OD2 2.75Å; K86-D129 PolarHBondContact NZ-OD2 3.39Å; Y87-D129 VanDerWaalsContact CE2-O 3.3Å; Y87-D129 WeakPolarHBondContact CE2-O 3.28Å; Y87-D129 PolarHBondContact OH-OD2 2.86Å; M125-D129 VanDerWaalsContact O-CB 3.29Å; M125-D129 WeakPolarHBondContact O-CB 3.45Å; M125-D129 PolarHBondContact O-N 2.73Å; A127-D129 VanDerWaalsContact C-N 3.31Å; A127-D129 PolarHBondContact O-N 2.79Å; D129-P133 WeakPolarHBondContact O-CD 3.49Å; D129-P133 VanDerWaalsContact O-CG 3.31Å; D129-P133 WeakPolarHBondContact O-CG 3.15Å; D129-L240 HydrophobicContact CB-CD2 4.46Å; D129-L240 WeakPolarHBondContact OD1-CD2 3.25Å |
| 130 | R | 98 | Very high | 96.7 | Very high | 41 Ų | 41 | 25.1 Ų | 25.1 | 16% | 0.155 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -85.9 | -31.2 | 171.8 | -69.6 | 171.3 | 174.7 | 70.7 | 0.9 | 113.1 | Y87 E92 Y93 G126 A127 L128 P133 | Y87-R130 HydrophobicContact CD1-CG 3.94Å; Y87-R130 HydrophobicContact CD2-CB 4.26Å; Y87-R130 HydrophobicContact CD2-CG 3.84Å; Y87-R130 HydrophobicContact CE1-CG 3.77Å; Y87-R130 HydrophobicContact CE2-CB 4.24Å; Y87-R130 HydrophobicContact CE2-CG 3.67Å; Y87-R130 HydrophobicContact CG-CG 3.98Å; E92-R130 IonicContact OE1-CZ 3.28Å; E92-R130 IonicContact OE1-NE 2.63Å; E92-R130 PolarHBondContact OE1-NE 2.76Å; E92-R130 IonicContact OE1-NH2 2.7Å; E92-R130 PolarHBondContact OE1-NH2 3.42Å; Y93-R130 HydrophobicContact CD2-CB 3.79Å; Y93-R130 HydrophobicContact CE2-CB 4.49Å; G126-R130 PolarHBondContact O-NH1 3.42Å; A127-R130 PolarHBondContact O-N 3.26Å; L128-R130 VanDerWaalsContact C-N 3.25Å; L128-R130 PolarHBondContact O-N 3.27Å; R130-P133 WeakPolarHBondContact O-CD 3.27Å |
| 131 | F | 98.2 | Very high | 96.6 | Very high | 1 Ų | 1 | 26.2 Ų | 26.2 | 0% | 0.004 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -74.6 | -45.2 | -179.1 | -176.2 | -120 | 0 | 0 | 0 | 112.7 | L56 Y93 F117 A127 L128 F134 F135 L222 F241 | L56-F131 HydrophobicContact CB-CE1 3.92Å; L56-F131 HydrophobicContact CB-CZ 3.97Å; Y93-F131 HydrophobicContact CE2-CB 4.02Å; Y93-F131 HydrophobicContact CE2-CD2 4.28Å; Y93-F131 AromaticContact CZ-CD2 3.99Å; Y93-F131 WeakPolarHBondContact OH-CD2 3.44Å; F117-F131 HydrophobicContact CD1-CB 4.43Å; F117-F131 HydrophobicContact CD1-CD1 4.32Å; F117-F131 HydrophobicContact CD1-CD2 4.13Å; F117-F131 HydrophobicContact CD1-CE2 4.44Å; F117-F131 HydrophobicContact CD1-CG 4.06Å; F117-F131 HydrophobicContact CE1-CB 3.91Å; F117-F131 AromaticContact CE1-CD1 3.81Å; F117-F131 HydrophobicContact CE1-CD1 3.81Å; F117-F131 HydrophobicContact CE1-CD2 4.32Å; F117-F131 HydrophobicContact CE1-CE1 4.38Å; F117-F131 AromaticContact CE1-CG 3.77Å; F117-F131 HydrophobicContact CE1-CG 3.77Å; A127-F131 VanDerWaalsContact O-CB 3.31Å; A127-F131 WeakPolarHBondContact O-CB 3.33Å; A127-F131 PolarHBondContact O-N 2.95Å; L128-F131 PolarHBondContact O-N 3.01Å; F131-F134 HydrophobicContact CD2-CD2 4.36Å; F131-F134 HydrophobicContact CD2-CE2 4.5Å; F131-F134 VanDerWaalsContact O-CB 3.28Å; F131-F134 WeakPolarHBondContact O-CB 3.26Å; F131-F134 WeakPolarHBondContact O-CG 3.2Å; F131-F134 PolarHBondContact O-N 2.82Å; F131-F134 VanDerWaalsContact O-N 3.1Å; F131-F135 HydrophobicContact CD1-CE2 4.03Å; F131-F135 HydrophobicContact CD2-CE2 4.27Å; F131-F135 HydrophobicContact CD2-CZ 4.49Å; F131-F135 AromaticContact CE1-CE2 3.78Å; F131-F135 HydrophobicContact CE1-CE2 3.78Å; F131-F135 HydrophobicContact CE1-CZ 4.14Å; F131-F135 HydrophobicContact CE2-CE2 4.03Å; F131-F135 AromaticContact CE2-CZ 3.88Å; F131-F135 HydrophobicContact CE2-CZ 3.88Å; F131-F135 HydrophobicContact CG-CE2 4.27Å; F131-F135 AromaticContact CZ-CE2 3.79Å; F131-F135 HydrophobicContact CZ-CE2 3.79Å; F131-F135 AromaticContact CZ-CZ 3.68Å; F131-F135 HydrophobicContact CZ-CZ 3.68Å; F131-F135 WeakPolarHBondContact O-CE2 3.42Å; F131-L222 HydrophobicContact CE1-CD1 4.44Å; F131-F241 HydrophobicContact CD1-CE1 4.44Å; F131-F241 HydrophobicContact CD1-CZ 4.05Å |
| 132 | A | 97.8 | Very high | 96.5 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.008 | 17% | 0.171 | C | C | . | . | G | 310 helix | trans | -57.5 | -39.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | L128 F134 F135 L240 F241 | L128-A132 WeakPolarHBondContact O-CB 3.38Å; L128-A132 PolarHBondContact O-N 3.17Å; A132-F134 PolarHBondContact O-N 3.49Å; A132-F134 VanDerWaalsContact O-N 3.12Å; A132-F135 WeakPolarHBondContact O-CD2 3.32Å; A132-F135 PolarHBondContact O-N 3.26Å; A132-F135 VanDerWaalsContact O-N 3.08Å; A132-L240 HydrophobicContact CB-CB 4.14Å; A132-F241 HydrophobicContact CB-CD1 4.19Å; A132-F241 HydrophobicContact CB-CE1 3.79Å; A132-F241 HydrophobicContact CB-CE2 4.17Å; A132-F241 HydrophobicContact CB-CZ 3.77Å |
| 133 | P | 97.5 | Very high | 96.1 | Very high | 9 Ų | 9 | 28.7 Ų | 28.7 | 6% | 0.058 | 16% | 0.164 | C | C | . | . | G | 310 helix | trans | -54.8 | -23.4 | 173.4 | -32.1 | 38.4 | 0 | 0 | 0 | 116.6 | T84 K86 Y87 D129 R130 F135 I136 C137 | T84-P133 HydrophobicContact CG2-CB 3.83Å; K86-P133 HydrophobicContact CB-CG 4.45Å; Y87-P133 HydrophobicContact CD2-CG 4.44Å; Y87-P133 HydrophobicContact CE2-CG 4.47Å; D129-P133 WeakPolarHBondContact O-CD 3.49Å; D129-P133 VanDerWaalsContact O-CG 3.31Å; D129-P133 WeakPolarHBondContact O-CG 3.15Å; R130-P133 WeakPolarHBondContact O-CD 3.27Å; P133-F135 PolarHBondContact O-N 2.82Å; P133-I136 PolarHBondContact O-N 2.8Å; P133-I136 VanDerWaalsContact O-N 3.07Å; P133-C137 PolarHBondContact O-N 2.89Å |
| 134 | F | 98 | Very high | 95.7 | Very high | 4 Ų | 4 | 25.3 Ų | 25.3 | 2% | 0.018 | 15% | 0.148 | C | C | . | . | G | 310 helix | trans | -55.5 | -35 | 174.5 | -75.6 | 25.7 | 0 | 0 | 0 | 111.2 | L80 F81 T84 Y93 Y115 F131 A132 H211 | L80-F134 HydrophobicContact CB-CB 4.16Å; L80-F134 HydrophobicContact CB-CD2 3.6Å; L80-F134 HydrophobicContact CB-CE2 4.13Å; L80-F134 HydrophobicContact CB-CG 3.94Å; L80-F134 HydrophobicContact CD1-CB 4.06Å; L80-F134 HydrophobicContact CD1-CD2 4.42Å; L80-F134 WeakPolarHBondContact O-CD1 3.45Å; L80-F134 VanDerWaalsContact O-CE1 3.28Å; L80-F134 WeakPolarHBondContact O-CE1 3.44Å; L80-F134 WeakPolarHBondContact O-CZ 3.45Å; F81-F134 AromaticContact CD1-CE2 3.91Å; F81-F134 HydrophobicContact CD1-CE2 3.91Å; F81-F134 HydrophobicContact CD1-CZ 4.05Å; F81-F134 HydrophobicContact CD2-CE2 4.36Å; F81-F134 HydrophobicContact CE1-CE2 4.07Å; F81-F134 HydrophobicContact CE2-CE2 4.49Å; F81-F134 HydrophobicContact CG-CE2 4.07Å; F81-F134 HydrophobicContact CG-CZ 4.3Å; F81-F134 HydrophobicContact CZ-CE2 4.35Å; T84-F134 HydrophobicContact CG2-CD1 3.9Å; T84-F134 HydrophobicContact CG2-CE1 4.4Å; Y93-F134 HydrophobicContact CD1-CE1 4.48Å; Y93-F134 HydrophobicContact CD1-CE2 4.47Å; Y93-F134 AromaticContact CD1-CZ 3.68Å; Y93-F134 HydrophobicContact CD1-CZ 3.68Å; Y93-F134 HydrophobicContact CD2-CE1 4.47Å; Y93-F134 HydrophobicContact CD2-CZ 4.33Å; Y93-F134 HydrophobicContact CE1-CE2 4.31Å; Y93-F134 AromaticContact CE1-CZ 3.91Å; Y93-F134 HydrophobicContact CE1-CZ 3.91Å; Y93-F134 HydrophobicContact CG-CE1 4.23Å; Y93-F134 AromaticContact CG-CZ 3.87Å; Y93-F134 HydrophobicContact CG-CZ 3.87Å; Y115-F134 HydrophobicContact CD1-CD2 4.45Å; F131-F134 HydrophobicContact CD2-CD2 4.36Å; F131-F134 HydrophobicContact CD2-CE2 4.5Å; F131-F134 VanDerWaalsContact O-CB 3.28Å; F131-F134 WeakPolarHBondContact O-CB 3.26Å; F131-F134 WeakPolarHBondContact O-CG 3.2Å; F131-F134 PolarHBondContact O-N 2.82Å; F131-F134 VanDerWaalsContact O-N 3.1Å; A132-F134 PolarHBondContact O-N 3.49Å; A132-F134 VanDerWaalsContact O-N 3.12Å; F134-H211 PolarHBondContact O-NE2 3.04Å |
| 135 | F | 97.9 | Very high | 95.4 | Very high | 4 Ų | 4 | 25.4 Ų | 25.4 | 2% | 0.018 | 15% | 0.148 | C | C | . | . | G | 310 helix | trans | -94.5 | 2.8 | -175.5 | -45.2 | -69 | 0 | 0 | 0 | 112.9 | L56 Y115 F131 A132 P133 Y215 M220 F241 V244 | L56-F135 HydrophobicContact CB-CE1 4.49Å; L56-F135 HydrophobicContact CB-CE2 4.22Å; L56-F135 HydrophobicContact CB-CZ 3.96Å; L56-F135 HydrophobicContact CD1-CD1 4.27Å; L56-F135 HydrophobicContact CD1-CD2 3.78Å; L56-F135 HydrophobicContact CD1-CE1 4.31Å; L56-F135 HydrophobicContact CD1-CE2 3.82Å; L56-F135 HydrophobicContact CD1-CG 4.02Å; L56-F135 HydrophobicContact CD1-CZ 4.09Å; L56-F135 HydrophobicContact CD2-CD1 3.96Å; L56-F135 HydrophobicContact CD2-CE1 3.69Å; L56-F135 HydrophobicContact CD2-CZ 4.02Å; L56-F135 HydrophobicContact CG-CE1 4.38Å; L56-F135 HydrophobicContact CG-CE2 4.43Å; L56-F135 HydrophobicContact CG-CZ 4.24Å; Y115-F135 AromaticContact CD2-CE1 3.7Å; Y115-F135 HydrophobicContact CD2-CE1 3.7Å; Y115-F135 HydrophobicContact CD2-CZ 4Å; Y115-F135 AromaticContact CE2-CE1 3.92Å; Y115-F135 HydrophobicContact CE2-CE1 3.92Å; Y115-F135 HydrophobicContact CG-CE1 4.26Å; Y115-F135 HydrophobicContact CG-CZ 4.18Å; F131-F135 HydrophobicContact CD1-CE2 4.03Å; F131-F135 HydrophobicContact CD2-CE2 4.27Å; F131-F135 HydrophobicContact CD2-CZ 4.49Å; F131-F135 AromaticContact CE1-CE2 3.78Å; F131-F135 HydrophobicContact CE1-CE2 3.78Å; F131-F135 HydrophobicContact CE1-CZ 4.14Å; F131-F135 HydrophobicContact CE2-CE2 4.03Å; F131-F135 AromaticContact CE2-CZ 3.88Å; F131-F135 HydrophobicContact CE2-CZ 3.88Å; F131-F135 HydrophobicContact CG-CE2 4.27Å; F131-F135 AromaticContact CZ-CE2 3.79Å; F131-F135 HydrophobicContact CZ-CE2 3.79Å; F131-F135 AromaticContact CZ-CZ 3.68Å; F131-F135 HydrophobicContact CZ-CZ 3.68Å; F131-F135 WeakPolarHBondContact O-CE2 3.42Å; A132-F135 WeakPolarHBondContact O-CD2 3.32Å; A132-F135 PolarHBondContact O-N 3.26Å; A132-F135 VanDerWaalsContact O-N 3.08Å; P133-F135 PolarHBondContact O-N 2.82Å; F135-Y215 HydrophobicContact CD1-CD1 4.17Å; F135-Y215 HydrophobicContact CD1-CE1 4.41Å; F135-M220 HydrophobicContact CB-CE 4.09Å; F135-M220 HydrophobicContact CB-SD 4.37Å; F135-M220 HydrophobicContact CD1-CE 4.11Å; F135-M220 HydrophobicContact CG-CE 4.43Å; F135-F241 HydrophobicContact CD2-CE1 4.2Å; F135-F241 HydrophobicContact CE2-CE1 4.43Å; F135-V244 HydrophobicContact CB-CG1 4.34Å; F135-V244 HydrophobicContact CB-CG2 4.13Å |
| 136 | I | 95.6 | Very high | 94.9 | Very high | 72 Ų | 72 | 27.3 Ų | 27.3 | 37% | 0.369 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -123.5 | -58.6 | -173.4 | -56 | 172.9 | 0 | 0 | 0 | 111.1 | P133 V244 | P133-I136 PolarHBondContact O-N 2.8Å; P133-I136 VanDerWaalsContact O-N 3.07Å; I136-V244 HydrophobicContact CD1-CG2 4.19Å; I136-V244 HydrophobicContact CG1-CG2 3.82Å |
| 137 | C | 94.8 | Very high | 94.3 | Very high | 27 Ų | 27 | 28.7 Ų | 28.7 | 18% | 0.182 | 16% | 0.155 | C | C | . | . | trans | -148.5 | 60.8 | -170.4 | 55 | 0 | 0 | 0 | 0 | 114 | T84 E85 P133 | T84-C137 CarbonylContact C-O 3.5Å; T84-C137 WeakPolarHBondContact CA-O 3.27Å; T84-C137 WeakPolarHBondContact CB-O 3.5Å; E85-C137 HydrophobicContact CB-CB 4.15Å; E85-C137 HydrophobicContact CG-CB 3.85Å; E85-C137 PolarHBondContact N-O 2.89Å; P133-C137 PolarHBondContact O-N 2.89Å | ||
| 138 | P | 96.4 | Very high | 93.9 | Very high | 11 Ų | 11 | 29.3 Ų | 29.3 | 7% | 0.071 | 16% | 0.158 | C | C | . | . | B | Isolated β-bridge | trans | -64.4 | 145.5 | 167.6 | 30.7 | -37.8 | 0 | 0 | 0 | 111.9 | L80 F140 | L80-P138 HydrophobicContact CD2-CB 3.7Å; L80-P138 HydrophobicContact CD2-CG 3.83Å; P138-F140 HydrophobicContact CB-CD2 4.1Å; P138-F140 HydrophobicContact CB-CE2 3.83Å; P138-F140 HydrophobicContact CB-CZ 4.31Å; P138-F140 HydrophobicContact CG-CD2 3.96Å; P138-F140 HydrophobicContact CG-CE2 3.35Å; P138-F140 HydrophobicContact CG-CZ 4.02Å |
| 139 | L | 95.8 | Very high | 93.5 | Very high | 47 Ų | 47 | 29.3 Ų | 29.3 | 25% | 0.246 | 16% | 0.158 | C | C | . | . | trans | -78.7 | -36.1 | -175.7 | -70.3 | 177.8 | 0 | 0 | 0 | 113.8 | G83 E85 P88 T141 R204 | G83-L139 PolarHBondContact O-N 2.76Å; E85-L139 HydrophobicContact CG-CD2 4.02Å; P88-L139 HydrophobicContact CB-CD1 3.84Å; L139-T141 HydrophobicContact CB-CG2 3.94Å; L139-T141 HydrophobicContact CD1-CG2 4.18Å; L139-T141 PolarHBondContact O-N 3.5Å; L139-R204 PolarHBondContact O-NH2 2.9Å | ||
| 140 | F | 94.5 | Very high | 93 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 16% | 0.163 | C | C | . | . | trans | 42.8 | 64.3 | -165.7 | -62.4 | -81 | 0 | 0 | 0 | 110.5 | M79 L80 P138 R204 L207 L208 H211 | M79-F140 HydrophobicContact CB-CD1 3.51Å; M79-F140 HydrophobicContact CB-CE1 3.54Å; M79-F140 HydrophobicContact CE-CB 4.5Å; M79-F140 HydrophobicContact CE-CD1 4.3Å; M79-F140 HydrophobicContact CG-CD1 4.2Å; L80-F140 HydrophobicContact CD2-CE1 4.19Å; L80-F140 HydrophobicContact CD2-CE2 4.38Å; L80-F140 HydrophobicContact CD2-CZ 3.66Å; P138-F140 HydrophobicContact CB-CD2 4.1Å; P138-F140 HydrophobicContact CB-CE2 3.83Å; P138-F140 HydrophobicContact CB-CZ 4.31Å; P138-F140 HydrophobicContact CG-CD2 3.96Å; P138-F140 HydrophobicContact CG-CE2 3.35Å; P138-F140 HydrophobicContact CG-CZ 4.02Å; F140-R204 HydrophobicContact CB-CG 4.47Å; F140-R204 VanDerWaalsContact O-CZ 3.29Å; F140-R204 PolarHBondContact O-NE 2.9Å; F140-R204 PolarHBondContact O-NH2 3.16Å; F140-R204 VanDerWaalsContact O-NH2 3.07Å; F140-L207 HydrophobicContact CD1-CB 3.89Å; F140-L207 HydrophobicContact CD1-CD1 3.95Å; F140-L207 HydrophobicContact CD1-CG 4.41Å; F140-L207 HydrophobicContact CE1-CB 3.99Å; F140-L207 HydrophobicContact CE1-CD1 4.37Å; F140-L207 HydrophobicContact CE1-CD2 4.28Å; F140-L207 HydrophobicContact CE1-CG 4.48Å; F140-L207 HydrophobicContact CG-CB 4.39Å; F140-L208 HydrophobicContact CB-CD2 4.43Å; F140-L208 HydrophobicContact CB-CG 4.33Å; F140-L208 HydrophobicContact CD2-CD2 3.58Å; F140-L208 HydrophobicContact CD2-CG 3.97Å; F140-L208 HydrophobicContact CE2-CD2 4.29Å; F140-L208 HydrophobicContact CG-CD2 4.4Å; F140-L208 HydrophobicContact CG-CG 4.44Å; F140-H211 HydrophobicContact CE2-CB 3.98Å; F140-H211 HydrophobicContact CZ-CB 4.09Å | ||
| 141 | T | 93.2 | Very high | 92.3 | Very high | 35 Ų | 35 | 28.7 Ų | 28.7 | 22% | 0.215 | 16% | 0.158 | C | C | . | . | trans | -60.8 | 144.5 | -176.7 | 62 | 0 | 0 | 0 | 0 | 110.3 | E90 L139 D143 G144 T145 | E90-T141 PolarHBondContact OE1-OG1 3.1Å; L139-T141 HydrophobicContact CB-CG2 3.94Å; L139-T141 HydrophobicContact CD1-CG2 4.18Å; L139-T141 PolarHBondContact O-N 3.5Å; T141-D143 PolarHBondContact O-N 2.88Å; T141-G144 PolarHBondContact O-N 3.46Å; T141-G144 WeakPolarHBondContact OG1-CA 3.42Å; T141-G144 PolarHBondContact OG1-N 2.76Å; T141-G144 VanDerWaalsContact OG1-N 3.14Å; T141-T145 WeakPolarHBondContact O-CB 3.29Å; T141-T145 PolarHBondContact O-N 2.82Å; T141-T145 PolarHBondContact O-OG1 3.31Å | ||
| 142 | A | 91.2 | Very high | 91.9 | Very high | 61 Ų | 61 | 28.6 Ų | 28.6 | 50% | 0.504 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -60.6 | -48.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | T145 E146 | A142-T145 WeakPolarHBondContact O-CB 3.49Å; A142-T145 PolarHBondContact O-N 3.43Å; A142-E146 WeakPolarHBondContact O-CG 3.38Å; A142-E146 PolarHBondContact O-N 3.01Å |
| 143 | D | 88 | Confident | 91.5 | Very high | 97 Ų | 97 | 31.1 Ų | 31.1 | 52% | 0.519 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -62.7 | -44.3 | 177.5 | -175.6 | 72.1 | 0 | 0 | 0 | 112.9 | T141 T145 E146 R147 | T141-D143 PolarHBondContact O-N 2.88Å; D143-T145 VanDerWaalsContact C-N 3.29Å; D143-T145 PolarHBondContact O-N 3.04Å; D143-E146 PolarHBondContact O-N 3.29Å; D143-R147 PolarHBondContact O-N 3.35Å; D143-R147 IonicContact OD2-CZ 2.82Å; D143-R147 VanDerWaalsContact OD2-CZ 3.22Å; D143-R147 IonicContact OD2-NE 2.72Å; D143-R147 PolarHBondContact OD2-NE 3.06Å; D143-R147 IonicContact OD2-NH2 3.23Å; D143-R147 PolarHBondContact OD2-NH2 2.81Å |
| 144 | G | 87.6 | Confident | 90.8 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60.6 | -38.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | T141 R147 E148 | T141-G144 PolarHBondContact O-N 3.46Å; T141-G144 WeakPolarHBondContact OG1-CA 3.42Å; T141-G144 PolarHBondContact OG1-N 2.76Å; T141-G144 VanDerWaalsContact OG1-N 3.14Å; G144-R147 PolarHBondContact O-N 2.68Å; G144-E148 VanDerWaalsContact O-CB 3.25Å; G144-E148 WeakPolarHBondContact O-CB 3.37Å; G144-E148 PolarHBondContact O-N 3.47Å |
| 145 | T | 90.4 | Very high | 90.3 | Very high | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.006 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.3 | -40.7 | 175.6 | -46.6 | 0 | 0 | 0 | 0 | 111.4 | F75 M79 T141 A142 D143 V149 F193 R204 L207 | F75-T145 HydrophobicContact CE1-CG2 3.68Å; F75-T145 HydrophobicContact CZ-CG2 3.54Å; F75-T145 WeakPolarHBondContact CZ-O 3.4Å; M79-T145 WeakPolarHBondContact CE-OG1 3.4Å; T141-T145 WeakPolarHBondContact O-CB 3.29Å; T141-T145 PolarHBondContact O-N 2.82Å; T141-T145 PolarHBondContact O-OG1 3.31Å; A142-T145 WeakPolarHBondContact O-CB 3.49Å; A142-T145 PolarHBondContact O-N 3.43Å; D143-T145 VanDerWaalsContact C-N 3.29Å; D143-T145 PolarHBondContact O-N 3.04Å; T145-V149 PolarHBondContact O-N 3.17Å; T145-F193 HydrophobicContact CG2-CE2 3.89Å; T145-F193 HydrophobicContact CG2-CZ 3.85Å; T145-R204 HydrophobicContact CG2-CB 4.43Å; T145-L207 HydrophobicContact CG2-CD1 3.84Å |
| 146 | E | 87 | Confident | 89.9 | Confident | 95 Ų | 95 | 33.2 Ų | 33.2 | 44% | 0.444 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -70.6 | -29.8 | 177.1 | -61.5 | -148.4 | 129.7 | 0 | 0 | 113.3 | A142 D143 V149 N150 F193 R197 | A142-E146 WeakPolarHBondContact O-CG 3.38Å; A142-E146 PolarHBondContact O-N 3.01Å; D143-E146 PolarHBondContact O-N 3.29Å; E146-V149 WeakPolarHBondContact O-CG1 3.39Å; E146-N150 PolarHBondContact O-ND2 2.79Å; E146-F193 HydrophobicContact CB-CE1 4.48Å; E146-F193 HydrophobicContact CG-CE1 3.93Å; E146-F193 HydrophobicContact CG-CZ 4.23Å; E146-R197 IonicContact OE1-CZ 3.04Å; E146-R197 IonicContact OE1-NH1 2.65Å; E146-R197 IonicContact OE1-NH2 3.95Å; E146-R197 PolarHBondContact OE1-NH2 3.4Å |
| 147 | R | 85.4 | Confident | 89.6 | Confident | 52 Ų | 52 | 31.1 Ų | 31.1 | 20% | 0.196 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -75.7 | -51.7 | 174 | -78.7 | -175.7 | -79.9 | 113.1 | -2.5 | 112 | E90 D143 G144 V149 N150 | E90-R147 IonicContact OE1-CZ 2.74Å; E90-R147 IonicContact OE1-NH2 2.86Å; E90-R147 PolarHBondContact OE1-NH2 2.85Å; E90-R147 IonicContact OE2-CZ 3.19Å; E90-R147 VanDerWaalsContact OE2-CZ 3.26Å; E90-R147 IonicContact OE2-NH1 2.82Å; E90-R147 PolarHBondContact OE2-NH1 3.47Å; E90-R147 IonicContact OE2-NH2 3.52Å; E90-R147 PolarHBondContact OE2-NH2 2.88Å; D143-R147 PolarHBondContact O-N 3.35Å; D143-R147 IonicContact OD2-CZ 2.82Å; D143-R147 VanDerWaalsContact OD2-CZ 3.22Å; D143-R147 IonicContact OD2-NE 2.72Å; D143-R147 PolarHBondContact OD2-NE 3.06Å; D143-R147 IonicContact OD2-NH2 3.23Å; D143-R147 PolarHBondContact OD2-NH2 2.81Å; G144-R147 PolarHBondContact O-N 2.68Å; R147-V149 VanDerWaalsContact C-N 3.33Å; R147-V149 PolarHBondContact O-N 3.29Å; R147-N150 WeakPolarHBondContact O-CB 3.49Å; R147-N150 PolarHBondContact O-N 2.7Å; R147-N150 VanDerWaalsContact O-N 3.09Å; R147-N150 PolarHBondContact O-ND2 2.88Å |
| 148 | E | 88.5 | Confident | 89 | Confident | 13 Ų | 13 | 31.5 Ų | 31.5 | 6% | 0.061 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -73.2 | -23.3 | -166.7 | -167.2 | 57.5 | -162.4 | 0 | 0 | 113.5 | F75 H78 M79 M82 G144 N150 A151 V152 | F75-E148 HydrophobicContact CE2-CB 4.12Å; F75-E148 HydrophobicContact CE2-CG 4.36Å; H78-E148 HydrophobicContact CB-CG 3.81Å; H78-E148 IonicContact CE1-OE1 3.59Å; H78-E148 IonicContact CG-OE1 3.58Å; H78-E148 IonicContact ND1-OE1 3.34Å; H78-E148 PolarHBondContact ND1-OE1 2.93Å; M79-E148 HydrophobicContact SD-CB 3.82Å; M79-E148 HydrophobicContact SD-CG 4.24Å; M82-E148 HydrophobicContact CE-CB 4.37Å; M82-E148 HydrophobicContact CE-CG 3.85Å; M82-E148 WeakPolarHBondContact CE-OE2 3.39Å; G144-E148 VanDerWaalsContact O-CB 3.25Å; G144-E148 WeakPolarHBondContact O-CB 3.37Å; G144-E148 PolarHBondContact O-N 3.47Å; E148-N150 PolarHBondContact O-N 3.41Å; E148-A151 VanDerWaalsContact O-CB 3.31Å; E148-A151 WeakPolarHBondContact O-CB 3.37Å; E148-A151 PolarHBondContact O-N 3.49Å; E148-A151 WeakPolarHBondContact OE1-CB 3.35Å; E148-V152 PolarHBondContact O-N 2.58Å |
| 149 | V | 90.8 | Very high | 88.6 | Confident | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.006 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59.1 | -30.4 | 170.8 | 67.2 | 0 | 0 | 0 | 0 | 112.2 | F75 T145 E146 R147 A151 V152 D153 L189 L192 F193 | F75-V149 HydrophobicContact CE1-CB 4.4Å; F75-V149 HydrophobicContact CE2-CB 4.07Å; F75-V149 HydrophobicContact CZ-CB 3.8Å; T145-V149 PolarHBondContact O-N 3.17Å; E146-V149 WeakPolarHBondContact O-CG1 3.39Å; R147-V149 VanDerWaalsContact C-N 3.33Å; R147-V149 PolarHBondContact O-N 3.29Å; V149-A151 VanDerWaalsContact C-N 3.3Å; V149-A151 PolarHBondContact O-N 2.85Å; V149-V152 PolarHBondContact O-N 3.17Å; V149-D153 PolarHBondContact O-N 3.18Å; V149-L189 HydrophobicContact CG1-CD1 3.74Å; V149-L189 HydrophobicContact CG2-CD1 4.16Å; V149-L192 HydrophobicContact CG2-CB 3.8Å; V149-L192 HydrophobicContact CG2-CD1 4.13Å; V149-F193 HydrophobicContact CB-CD2 3.86Å; V149-F193 HydrophobicContact CB-CE2 3.89Å; V149-F193 HydrophobicContact CG1-CD1 4.49Å; V149-F193 HydrophobicContact CG1-CD2 3.85Å; V149-F193 HydrophobicContact CG1-CE2 3.87Å; V149-F193 HydrophobicContact CG1-CG 4.17Å; V149-F193 HydrophobicContact CG1-CZ 4.24Å; V149-F193 HydrophobicContact CG2-CD2 3.66Å; V149-F193 HydrophobicContact CG2-CE2 4.19Å; V149-F193 HydrophobicContact CG2-CG 4.33Å |
| 150 | N | 86.6 | Confident | 88.4 | Confident | 65 Ų | 65 | 34.6 Ų | 34.6 | 35% | 0.348 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -69.3 | -29.8 | 175.1 | -53.5 | -81.8 | 0 | 0 | 0 | 111.6 | E146 R147 E148 D153 S154 Q793 | E146-N150 PolarHBondContact O-ND2 2.79Å; R147-N150 WeakPolarHBondContact O-CB 3.49Å; R147-N150 PolarHBondContact O-N 2.7Å; R147-N150 VanDerWaalsContact O-N 3.09Å; R147-N150 PolarHBondContact O-ND2 2.88Å; E148-N150 PolarHBondContact O-N 3.41Å; N150-D153 PolarHBondContact O-N 3.42Å; N150-S154 WeakPolarHBondContact O-CB 3.43Å; N150-S154 PolarHBondContact O-N 3.01Å; N150-Q793 PolarHBondContact O-NE2 3.07Å |
| 151 | A | 83.5 | Confident | 88.3 | Confident | 6 Ų | 6 | 38.1 Ų | 38.1 | 5% | 0.05 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -67 | -46.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | E148 V149 D153 S154 E155 | E148-A151 VanDerWaalsContact O-CB 3.31Å; E148-A151 WeakPolarHBondContact O-CB 3.37Å; E148-A151 PolarHBondContact O-N 3.49Å; E148-A151 WeakPolarHBondContact OE1-CB 3.35Å; V149-A151 VanDerWaalsContact C-N 3.3Å; V149-A151 PolarHBondContact O-N 2.85Å; A151-D153 VanDerWaalsContact C-N 3.34Å; A151-D153 PolarHBondContact O-N 3.42Å; A151-S154 WeakPolarHBondContact O-CB 3.31Å; A151-S154 PolarHBondContact O-N 2.8Å; A151-E155 WeakPolarHBondContact O-CG 3.18Å; A151-E155 PolarHBondContact O-N 2.72Å |
| 152 | V | 89.2 | Confident | 88.2 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.2 | -42.6 | 172.5 | 179.5 | 0 | 0 | 0 | 0 | 111.5 | F75 E148 V149 S154 E155 N156 T186 L192 | F75-V152 HydrophobicContact CD2-CG2 3.91Å; E148-V152 PolarHBondContact O-N 2.58Å; V149-V152 PolarHBondContact O-N 3.17Å; V152-S154 PolarHBondContact O-N 3.21Å; V152-E155 PolarHBondContact O-N 2.68Å; V152-N156 WeakPolarHBondContact O-CB 3.44Å; V152-N156 PolarHBondContact O-N 3.35Å; V152-T186 WeakPolarHBondContact CG1-O 3.45Å; V152-L192 HydrophobicContact CB-CD1 4.41Å; V152-L192 HydrophobicContact CG1-CD1 3.89Å |
| 153 | D | 90 | Very high | 88.4 | Confident | 53 Ų | 53 | 35.4 Ų | 35.4 | 28% | 0.283 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -63.2 | -39.4 | 176.3 | -164.3 | 70.7 | 0 | 0 | 0 | 113 | V149 N150 A151 N156 S157 S188 L189 | V149-D153 PolarHBondContact O-N 3.18Å; N150-D153 PolarHBondContact O-N 3.42Å; A151-D153 VanDerWaalsContact C-N 3.34Å; A151-D153 PolarHBondContact O-N 3.42Å; D153-N156 PolarHBondContact O-N 2.81Å; D153-S157 WeakPolarHBondContact O-CB 3.4Å; D153-S157 PolarHBondContact O-N 3.19Å; D153-S188 VanDerWaalsContact OD1-CB 3.31Å; D153-S188 WeakPolarHBondContact OD1-CB 3.35Å; D153-L189 HydrophobicContact CB-CB 3.9Å; D153-L189 WeakPolarHBondContact OD1-CB 3.25Å; D153-L189 PolarHBondContact OD1-N 3.42Å |
| 154 | S | 83.2 | Confident | 88.8 | Confident | 16 Ų | 16 | 37.3 Ų | 37.3 | 11% | 0.112 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65.3 | -42.4 | 176.3 | -163.4 | 0 | 0 | 0 | 0 | 111.9 | N150 A151 V152 S157 N158 Q793 | N150-S154 WeakPolarHBondContact O-CB 3.43Å; N150-S154 PolarHBondContact O-N 3.01Å; A151-S154 WeakPolarHBondContact O-CB 3.31Å; A151-S154 PolarHBondContact O-N 2.8Å; V152-S154 PolarHBondContact O-N 3.21Å; S154-S157 WeakPolarHBondContact O-CB 3.22Å; S154-S157 PolarHBondContact O-N 3Å; S154-N158 PolarHBondContact O-N 2.77Å; S154-N158 PolarHBondContact O-ND2 2.7Å; S154-Q793 PolarHBondContact OG-OE1 3.24Å |
| 155 | E | 86.1 | Confident | 89.2 | Confident | 31 Ų | 31 | 42 Ų | 42 | 15% | 0.145 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.1 | -46.7 | 173.1 | -71.2 | -176.1 | -158.4 | 0 | 0 | 111.6 | H74 H78 A151 V152 S157 N158 Y159 R789 | H74-E155 IonicContact CE1-OE2 2.75Å; H78-E155 IonicContact CE1-OE1 3.66Å; A151-E155 WeakPolarHBondContact O-CG 3.18Å; A151-E155 PolarHBondContact O-N 2.72Å; V152-E155 PolarHBondContact O-N 2.68Å; E155-S157 PolarHBondContact O-N 2.99Å; E155-N158 WeakPolarHBondContact O-CB 3.4Å; E155-N158 PolarHBondContact O-N 2.92Å; E155-Y159 HydrophobicContact CB-CE2 4.24Å; E155-Y159 WeakPolarHBondContact O-CD2 3.49Å; E155-Y159 PolarHBondContact O-N 2.97Å; E155-R789 IonicContact OE1-CZ 2.74Å; E155-R789 IonicContact OE1-NH2 2.78Å; E155-R789 PolarHBondContact OE1-NH2 3.49Å |
| 156 | N | 91 | Very high | 89.5 | Confident | 15 Ų | 15 | 42.5 Ų | 42.5 | 8% | 0.08 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -58.4 | -44.4 | 173.6 | 178.2 | 56.9 | 0 | 0 | 0 | 112.7 | V152 D153 N158 Y159 M160 F184 T186 G187 Y462 | V152-N156 WeakPolarHBondContact O-CB 3.44Å; V152-N156 PolarHBondContact O-N 3.35Å; D153-N156 PolarHBondContact O-N 2.81Å; N156-N158 VanDerWaalsContact C-N 3.33Å; N156-N158 PolarHBondContact O-N 2.87Å; N156-Y159 PolarHBondContact O-N 2.69Å; N156-Y159 VanDerWaalsContact O-N 3.1Å; N156-M160 VanDerWaalsContact O-CG 3.23Å; N156-M160 WeakPolarHBondContact O-CG 3.37Å; N156-M160 PolarHBondContact O-N 3.16Å; N156-M160 VanDerWaalsContact O-N 3.07Å; N156-F184 WeakPolarHBondContact OD1-CZ 3.34Å; N156-T186 HydrophobicContact CB-CG2 3.98Å; N156-G187 WeakPolarHBondContact CB-O 3.28Å; N156-Y462 WeakPolarHBondContact OD1-CE1 3.47Å; N156-Y462 PolarHBondContact OD1-OH 3.04Å |
| 157 | S | 87.9 | Confident | 90 | Very high | 28 Ų | 28 | 38.8 Ų | 38.8 | 20% | 0.196 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -57.4 | -44.5 | 175.2 | -177.6 | 0 | 0 | 0 | 0 | 111.7 | D153 S154 E155 Y159 M160 | D153-S157 WeakPolarHBondContact O-CB 3.4Å; D153-S157 PolarHBondContact O-N 3.19Å; S154-S157 WeakPolarHBondContact O-CB 3.22Å; S154-S157 PolarHBondContact O-N 3Å; E155-S157 PolarHBondContact O-N 2.99Å; S157-Y159 VanDerWaalsContact C-N 3.3Å; S157-Y159 PolarHBondContact O-N 2.85Å; S157-M160 PolarHBondContact O-N 2.78Å |
| 158 | N | 83 | Confident | 90.5 | Very high | 34 Ų | 34 | 38.5 Ų | 38.5 | 18% | 0.182 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.3 | -34.9 | 175.8 | -63.5 | -35.9 | 0 | 0 | 0 | 112 | S154 E155 N156 Q642 N753 Q812 | S154-N158 PolarHBondContact O-N 2.77Å; S154-N158 PolarHBondContact O-ND2 2.7Å; E155-N158 WeakPolarHBondContact O-CB 3.4Å; E155-N158 PolarHBondContact O-N 2.92Å; N156-N158 VanDerWaalsContact C-N 3.33Å; N156-N158 PolarHBondContact O-N 2.87Å; N158-Q642 PolarHBondContact O-NE2 2.97Å; N158-N753 PolarHBondContact OD1-ND2 3.42Å; N158-Q812 PolarHBondContact OD1-NE2 3.34Å |
| 159 | Y | 88.7 | Confident | 91 | Very high | 55 Ų | 55 | 38.6 Ų | 38.6 | 22% | 0.216 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -76.6 | -23.7 | 178.6 | -57.9 | -22.9 | 0 | 0 | 0 | 114.1 | E155 N156 S157 K161 E162 W165 T186 | E155-Y159 HydrophobicContact CB-CE2 4.24Å; E155-Y159 WeakPolarHBondContact O-CD2 3.49Å; E155-Y159 PolarHBondContact O-N 2.97Å; N156-Y159 PolarHBondContact O-N 2.69Å; N156-Y159 VanDerWaalsContact O-N 3.1Å; S157-Y159 VanDerWaalsContact C-N 3.3Å; S157-Y159 PolarHBondContact O-N 2.85Å; Y159-K161 PolarHBondContact O-N 2.98Å; Y159-E162 PolarHBondContact O-N 3.1Å; Y159-W165 AromaticContact CD1-CD1 3.51Å; Y159-W165 HydrophobicContact CD1-CD2 4.31Å; Y159-W165 AromaticContact CD1-CE2 3.77Å; Y159-W165 HydrophobicContact CD1-CG 4.17Å; Y159-W165 HydrophobicContact CD1-CZ2 4.38Å; Y159-W165 AromaticContact CD1-NE1 3.22Å; Y159-W165 HydrophobicContact CD2-CD2 4.13Å; Y159-W165 HydrophobicContact CD2-CE3 4.49Å; Y159-W165 HydrophobicContact CD2-CG 4.43Å; Y159-W165 HydrophobicContact CD2-CZ2 4.39Å; Y159-W165 AromaticContact CE1-CE2 3.82Å; Y159-W165 AromaticContact CE1-CZ2 3.98Å; Y159-W165 HydrophobicContact CE1-CZ2 3.98Å; Y159-W165 AromaticContact CE1-NE1 3.5Å; Y159-W165 HydrophobicContact CE2-CH2 4.32Å; Y159-W165 HydrophobicContact CE2-CZ2 4.02Å; Y159-W165 AromaticContact CG-CD1 3.68Å; Y159-W165 HydrophobicContact CG-CD2 4.02Å; Y159-W165 AromaticContact CG-CE2 3.92Å; Y159-W165 AromaticContact CG-CG 3.89Å; Y159-W165 HydrophobicContact CG-CG 3.89Å; Y159-W165 AromaticContact CG-NE1 3.69Å; Y159-W165 AromaticContact CZ-CZ2 3.81Å; Y159-T186 HydrophobicContact CD2-CG2 3.88Å; Y159-T186 HydrophobicContact CE2-CG2 3.93Å |
| 160 | M | 91 | Very high | 91.3 | Very high | 68 Ų | 68 | 38.6 Ų | 38.6 | 34% | 0.335 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -26 | -175.4 | -58.5 | -166.7 | 81.6 | 0 | 0 | 115.2 | N156 S157 R166 Y462 | N156-M160 VanDerWaalsContact O-CG 3.23Å; N156-M160 WeakPolarHBondContact O-CG 3.37Å; N156-M160 PolarHBondContact O-N 3.16Å; N156-M160 VanDerWaalsContact O-N 3.07Å; S157-M160 PolarHBondContact O-N 2.78Å; M160-R166 WeakPolarHBondContact O-CD 3.39Å; M160-R166 PolarHBondContact O-NH1 2.99Å; M160-Y462 HydrophobicContact CB-CD1 4.09Å; M160-Y462 HydrophobicContact CG-CD1 3.91Å; M160-Y462 HydrophobicContact CG-CE1 4.15Å |
| 161 | K | 91.1 | Very high | 91.8 | Very high | 74 Ų | 74 | 35.5 Ų | 35.5 | 32% | 0.322 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.2 | 3.5 | -177.8 | -59.1 | -56.5 | -178.7 | -171 | 0 | 114 | Y159 I273 V750 H751 | Y159-K161 PolarHBondContact O-N 2.98Å; K161-I273 HydrophobicContact CD-CD1 4.1Å; K161-V750 HydrophobicContact CB-CG1 4.45Å; K161-V750 WeakPolarHBondContact CE-O 3.4Å; K161-V750 HydrophobicContact CG-CG1 4.5Å; K161-H751 VanDerWaalsContact CB-CE1 3.47Å; K161-H751 WeakPolarHBondContact CB-CE1 3.44Å |
| 162 | E | 91.4 | Very high | 92.4 | Very high | 26 Ų | 26 | 35.6 Ų | 35.6 | 12% | 0.121 | 18% | 0.177 | C | C | . | . | trans | -96.5 | 117.8 | 178.3 | -71.4 | -58.1 | 154.7 | 0 | 0 | 111.4 | Y159 Q164 W165 R166 K274 Q642 | Y159-E162 PolarHBondContact O-N 3.1Å; E162-Q164 PolarHBondContact O-N 3.35Å; E162-Q164 VanDerWaalsContact O-N 3.15Å; E162-W165 PolarHBondContact O-N 3.36Å; E162-W165 VanDerWaalsContact O-N 3.14Å; E162-R166 VanDerWaalsContact O-CG 3.27Å; E162-R166 WeakPolarHBondContact O-CG 3.32Å; E162-R166 PolarHBondContact O-N 3.39Å; E162-R166 VanDerWaalsContact O-N 3.1Å; E162-K274 IonicContact OE2-NZ 3.94Å; E162-K274 PolarHBondContact OE2-NZ 2.97Å; E162-Q642 PolarHBondContact OE1-NE2 2.76Å | ||
| 163 | D | 96.6 | Very high | 92.8 | Very high | 14 Ų | 14 | 37.4 Ų | 37.4 | 8% | 0.075 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.1 | -28.3 | -171.7 | -73 | -54.1 | 0 | 0 | 0 | 114.4 | R166 L167 P272 I273 K274 L276 | D163-R166 IonicContact OD1-NE 2.64Å; D163-L167 WeakPolarHBondContact O-CB 3.33Å; D163-L167 PolarHBondContact O-N 2.64Å; D163-P272 VanDerWaalsContact OD1-CA 3.25Å; D163-P272 WeakPolarHBondContact OD1-CA 3.35Å; D163-I273 PolarHBondContact OD1-N 2.82Å; D163-I273 PolarHBondContact OD2-N 2.83Å; D163-K274 WeakPolarHBondContact OD2-CB 3.49Å; D163-K274 PolarHBondContact OD2-N 3.28Å; D163-L276 HydrophobicContact CB-CD1 3.75Å |
| 164 | Q | 95.3 | Very high | 93.1 | Very high | 137 Ų | 137 | 35.8 Ų | 35.8 | 64% | 0.64 | 18% | 0.181 | S | C | * | . | H | α-helix | trans | -64.5 | -44.8 | 175.4 | 64.9 | -173.1 | -5.3 | 0 | 0 | 112.8 | E162 A168 | E162-Q164 PolarHBondContact O-N 3.35Å; E162-Q164 VanDerWaalsContact O-N 3.15Å; Q164-A168 WeakPolarHBondContact O-CB 3.37Å; Q164-A168 PolarHBondContact O-N 2.67Å |
| 165 | W | 95.6 | Very high | 93.7 | Very high | 98 Ų | 98 | 35.3 Ų | 35.3 | 37% | 0.371 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -72.8 | -39.1 | 179.5 | -68.6 | 111.2 | 0 | 0 | 0 | 111 | Y159 E162 L167 A168 Q169 Y462 | Y159-W165 AromaticContact CD1-CD1 3.51Å; Y159-W165 HydrophobicContact CD1-CD2 4.31Å; Y159-W165 AromaticContact CD1-CE2 3.77Å; Y159-W165 HydrophobicContact CD1-CG 4.17Å; Y159-W165 HydrophobicContact CD1-CZ2 4.38Å; Y159-W165 AromaticContact CD1-NE1 3.22Å; Y159-W165 HydrophobicContact CD2-CD2 4.13Å; Y159-W165 HydrophobicContact CD2-CE3 4.49Å; Y159-W165 HydrophobicContact CD2-CG 4.43Å; Y159-W165 HydrophobicContact CD2-CZ2 4.39Å; Y159-W165 AromaticContact CE1-CE2 3.82Å; Y159-W165 AromaticContact CE1-CZ2 3.98Å; Y159-W165 HydrophobicContact CE1-CZ2 3.98Å; Y159-W165 AromaticContact CE1-NE1 3.5Å; Y159-W165 HydrophobicContact CE2-CH2 4.32Å; Y159-W165 HydrophobicContact CE2-CZ2 4.02Å; Y159-W165 AromaticContact CG-CD1 3.68Å; Y159-W165 HydrophobicContact CG-CD2 4.02Å; Y159-W165 AromaticContact CG-CE2 3.92Å; Y159-W165 AromaticContact CG-CG 3.89Å; Y159-W165 HydrophobicContact CG-CG 3.89Å; Y159-W165 AromaticContact CG-NE1 3.69Å; Y159-W165 AromaticContact CZ-CZ2 3.81Å; E162-W165 PolarHBondContact O-N 3.36Å; E162-W165 VanDerWaalsContact O-N 3.14Å; W165-L167 PolarHBondContact O-N 3.13Å; W165-A168 PolarHBondContact O-N 2.66Å; W165-Q169 WeakPolarHBondContact O-CB 3.33Å; W165-Q169 PolarHBondContact O-N 3.28Å; W165-Y462 HydrophobicContact CB-CE2 4.36Å |
| 166 | R | 98 | Very high | 94.2 | Very high | 11 Ų | 11 | 36.6 Ų | 36.6 | 4% | 0.042 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -58.1 | -45.7 | 173.2 | -67.6 | 168.9 | 64.4 | 75.4 | 1.6 | 112 | M160 E162 D163 L170 Y462 V464 | M160-R166 WeakPolarHBondContact O-CD 3.39Å; M160-R166 PolarHBondContact O-NH1 2.99Å; E162-R166 VanDerWaalsContact O-CG 3.27Å; E162-R166 WeakPolarHBondContact O-CG 3.32Å; E162-R166 PolarHBondContact O-N 3.39Å; E162-R166 VanDerWaalsContact O-N 3.1Å; D163-R166 IonicContact OD1-NE 2.64Å; R166-L170 VanDerWaalsContact O-CB 3.32Å; R166-L170 WeakPolarHBondContact O-CB 3.2Å; R166-L170 PolarHBondContact O-N 3.33Å; R166-Y462 PolarHBondContact NH1-O 3.44Å; R166-V464 HydrophobicContact CB-CG2 3.72Å; R166-V464 HydrophobicContact CG-CG2 4.16Å |
| 167 | L | 97.6 | Very high | 94.3 | Very high | 18 Ų | 18 | 41 Ų | 41 | 9% | 0.094 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -69.3 | -45.1 | 178.8 | -177.7 | 60.2 | 0 | 0 | 0 | 112 | D163 W165 Q169 L170 E171 F445 L447 | D163-L167 WeakPolarHBondContact O-CB 3.33Å; D163-L167 PolarHBondContact O-N 2.64Å; W165-L167 PolarHBondContact O-N 3.13Å; L167-Q169 PolarHBondContact O-N 3.06Å; L167-L170 PolarHBondContact O-N 2.8Å; L167-E171 PolarHBondContact O-N 3.29Å; L167-F445 HydrophobicContact CD1-CB 4.46Å; L167-F445 HydrophobicContact CD1-CD1 3.72Å; L167-F445 HydrophobicContact CD1-CE1 4.24Å; L167-F445 HydrophobicContact CD1-CG 4.22Å; L167-L447 HydrophobicContact CD1-CD1 4.04Å; L167-L447 HydrophobicContact CD2-CD1 4.26Å; L167-L447 HydrophobicContact CD2-CD2 4.26Å |
| 168 | A | 96.1 | Very high | 94.6 | Very high | 45 Ų | 45 | 44.9 Ų | 44.9 | 37% | 0.372 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -60.8 | -43 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q164 W165 E171 S172 | Q164-A168 WeakPolarHBondContact O-CB 3.37Å; Q164-A168 PolarHBondContact O-N 2.67Å; W165-A168 PolarHBondContact O-N 2.66Å; A168-E171 PolarHBondContact O-N 3.05Å; A168-S172 PolarHBondContact O-N 2.77Å |
| 169 | Q | 97.7 | Very high | 95.2 | Very high | 16 Ų | 16 | 43.8 Ų | 43.8 | 8% | 0.075 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -71.6 | -33.3 | 176.4 | -170.4 | 55.5 | 63.1 | 0 | 0 | 112.5 | W165 L167 S172 S173 W461 Y462 | W165-Q169 WeakPolarHBondContact O-CB 3.33Å; W165-Q169 PolarHBondContact O-N 3.28Å; L167-Q169 PolarHBondContact O-N 3.06Å; Q169-S172 PolarHBondContact NE2-OG 2.8Å; Q169-S172 VanDerWaalsContact NE2-OG 3.1Å; Q169-S172 PolarHBondContact O-N 3.33Å; Q169-S173 PolarHBondContact NE2-OG 2.65Å; Q169-S173 VanDerWaalsContact O-CB 3.26Å; Q169-S173 WeakPolarHBondContact O-CB 3.42Å; Q169-S173 PolarHBondContact O-N 3.26Å; Q169-S173 PolarHBondContact O-OG 2.95Å; Q169-S173 VanDerWaalsContact O-OG 3.04Å; Q169-W461 HydrophobicContact CG-CB 4.35Å; Q169-Y462 HydrophobicContact CB-CD2 3.59Å; Q169-Y462 HydrophobicContact CB-CE2 3.73Å; Q169-Y462 HydrophobicContact CG-CD2 3.9Å; Q169-Y462 HydrophobicContact CG-CE2 4.04Å |
| 170 | L | 98.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.6 | -41.7 | 172.8 | 176.1 | 62.1 | 0 | 0 | 0 | 111.4 | R166 L167 S173 L174 I268 V270 F445 E459 V464 Y466 | R166-L170 VanDerWaalsContact O-CB 3.32Å; R166-L170 WeakPolarHBondContact O-CB 3.2Å; R166-L170 PolarHBondContact O-N 3.33Å; L167-L170 PolarHBondContact O-N 2.8Å; L170-S173 PolarHBondContact O-N 3.39Å; L170-L174 HydrophobicContact CD1-CD1 4.16Å; L170-L174 HydrophobicContact CD1-CG 4.22Å; L170-L174 HydrophobicContact CG-CD1 4.14Å; L170-L174 VanDerWaalsContact O-CG 3.27Å; L170-L174 WeakPolarHBondContact O-CG 3.24Å; L170-L174 PolarHBondContact O-N 3.3Å; L170-L174 VanDerWaalsContact O-N 3.09Å; L170-I268 HydrophobicContact CD2-CG2 4.26Å; L170-V270 HydrophobicContact CD2-CB 4.47Å; L170-V270 HydrophobicContact CD2-CG1 4.05Å; L170-V270 HydrophobicContact CD2-CG2 3.54Å; L170-F445 HydrophobicContact CD2-CE1 4.28Å; L170-F445 HydrophobicContact CG-CE1 4.28Å; L170-E459 HydrophobicContact CB-CG 4.28Å; L170-E459 HydrophobicContact CD1-CB 4.18Å; L170-E459 HydrophobicContact CD1-CG 4.08Å; L170-V464 HydrophobicContact CD2-CG1 4.18Å; L170-Y466 HydrophobicContact CD1-CD1 3.59Å; L170-Y466 HydrophobicContact CD1-CD2 4.1Å; L170-Y466 HydrophobicContact CD1-CE1 3.66Å; L170-Y466 HydrophobicContact CD1-CE2 4.18Å; L170-Y466 HydrophobicContact CD1-CG 3.81Å; L170-Y466 HydrophobicContact CD2-CG 4.27Å |
| 171 | E | 97 | Very high | 95.8 | Very high | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -58.6 | -47.6 | 173.9 | 177.2 | -179.2 | -166 | 0 | 0 | 111.5 | L167 A168 L174 Y181 Y259 Y282 R330 F445 | L167-E171 PolarHBondContact O-N 3.29Å; A168-E171 PolarHBondContact O-N 3.05Å; E171-L174 PolarHBondContact O-N 3.12Å; E171-Y181 HydrophobicContact CG-CE1 4.37Å; E171-Y259 WeakPolarHBondContact CG-OH 3.22Å; E171-Y259 PolarHBondContact OE1-OH 3.11Å; E171-Y282 HydrophobicContact CG-CD2 4.43Å; E171-Y282 HydrophobicContact CG-CE2 4.26Å; E171-Y282 WeakPolarHBondContact OE1-CD2 3.38Å; E171-R330 IonicContact OE1-CZ 3.39Å; E171-R330 IonicContact OE1-NH1 2.68Å; E171-R330 IonicContact OE1-NH2 3.22Å; E171-R330 PolarHBondContact OE1-NH2 2.85Å; E171-R330 IonicContact OE2-CZ 3.27Å; E171-R330 VanDerWaalsContact OE2-CZ 3.25Å; E171-R330 IonicContact OE2-NH1 3.59Å; E171-R330 PolarHBondContact OE2-NH1 2.84Å; E171-R330 IonicContact OE2-NH2 2.65Å; E171-R330 PolarHBondContact OE2-NH2 3.44Å; E171-F445 HydrophobicContact CB-CZ 4.22Å |
| 172 | S | 96.2 | Very high | 96.1 | Very high | 8 Ų | 8 | 38.2 Ų | 38.2 | 6% | 0.056 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -57.7 | -51.4 | 172.7 | 157.8 | 0 | 0 | 0 | 0 | 112.2 | A168 Q169 L174 A175 Y181 S182 K183 | A168-S172 PolarHBondContact O-N 2.77Å; Q169-S172 PolarHBondContact NE2-OG 2.8Å; Q169-S172 VanDerWaalsContact NE2-OG 3.1Å; Q169-S172 PolarHBondContact O-N 3.33Å; S172-L174 PolarHBondContact O-N 3.01Å; S172-L174 VanDerWaalsContact O-N 3.1Å; S172-A175 WeakPolarHBondContact O-CB 3.5Å; S172-A175 PolarHBondContact O-N 2.89Å; S172-Y181 VanDerWaalsContact CB-O 3.29Å; S172-Y181 WeakPolarHBondContact CB-O 3.4Å; S172-Y181 PolarHBondContact OG-O 2.67Å; S172-S182 WeakPolarHBondContact O-CA 3.49Å; S172-K183 PolarHBondContact OG-O 3.36Å |
| 173 | S | 96.8 | Very high | 96.4 | Very high | 37 Ų | 37 | 38.1 Ų | 38.1 | 26% | 0.259 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -66.6 | -10.2 | -178.6 | -67.3 | 0 | 0 | 0 | 0 | 114.2 | Q169 L170 E459 | Q169-S173 PolarHBondContact NE2-OG 2.65Å; Q169-S173 VanDerWaalsContact O-CB 3.26Å; Q169-S173 WeakPolarHBondContact O-CB 3.42Å; Q169-S173 PolarHBondContact O-N 3.26Å; Q169-S173 PolarHBondContact O-OG 2.95Å; Q169-S173 VanDerWaalsContact O-OG 3.04Å; L170-S173 PolarHBondContact O-N 3.39Å; S173-E459 PolarHBondContact OG-OE1 2.85Å |
| 174 | L | 96.7 | Very high | 96.4 | Very high | 20 Ų | 20 | 37.6 Ų | 37.6 | 11% | 0.105 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | -5.1 | 171.7 | -73.4 | 169.2 | 0 | 0 | 0 | 113.7 | L170 E171 S172 I263 I268 F445 Y466 V468 | L170-L174 HydrophobicContact CD1-CD1 4.16Å; L170-L174 HydrophobicContact CD1-CG 4.22Å; L170-L174 HydrophobicContact CG-CD1 4.14Å; L170-L174 VanDerWaalsContact O-CG 3.27Å; L170-L174 WeakPolarHBondContact O-CG 3.24Å; L170-L174 PolarHBondContact O-N 3.3Å; L170-L174 VanDerWaalsContact O-N 3.09Å; E171-L174 PolarHBondContact O-N 3.12Å; S172-L174 PolarHBondContact O-N 3.01Å; S172-L174 VanDerWaalsContact O-N 3.1Å; L174-I263 HydrophobicContact CD2-CD1 4.23Å; L174-I268 HydrophobicContact CD1-CG1 4.01Å; L174-I268 HydrophobicContact CD1-CG2 4.12Å; L174-F445 HydrophobicContact CD1-CE1 3.75Å; L174-F445 HydrophobicContact CD1-CZ 3.8Å; L174-Y466 HydrophobicContact CD2-CE2 3.97Å; L174-V468 HydrophobicContact CD2-CG2 4.19Å |
| 175 | A | 96.4 | Very high | 96.5 | Very high | 6 Ų | 6 | 31.5 Ų | 31.5 | 5% | 0.05 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -67.7 | 161.9 | 168.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | S172 Y181 P258 Y259 | S172-A175 WeakPolarHBondContact O-CB 3.5Å; S172-A175 PolarHBondContact O-N 2.89Å; A175-Y181 HydrophobicContact CB-CD1 3.99Å; A175-P258 CarbonylContact C-O 3.58Å; A175-P258 WeakPolarHBondContact CA-O 3.33Å; A175-P258 HydrophobicContact CB-CB 4.01Å; A175-P258 WeakPolarHBondContact CB-O 3.36Å; A175-Y259 HydrophobicContact CB-CD1 4.48Å; A175-Y259 HydrophobicContact CB-CE1 4.33Å |
| 176 | R | 96 | Very high | 96.6 | Very high | 58 Ų | 58 | 27.6 Ų | 27.6 | 22% | 0.219 | 16% | 0.16 | C | C | . | . | trans | -58.1 | 133.4 | 175.3 | -59.3 | -179.2 | -73.6 | 136.9 | -11.5 | 109.8 | D178 H179 Q257 P258 | R176-D178 WeakPolarHBondContact CB-OD1 3.44Å; R176-D178 IonicContact NH1-OD1 2.79Å; R176-D178 IonicContact NH1-OD2 3.85Å; R176-D178 PolarHBondContact NH1-OD2 3.27Å; R176-D178 PolarHBondContact O-N 3.31Å; R176-D178 VanDerWaalsContact O-N 3.11Å; R176-H179 HydrophobicContact CB-CB 4.32Å; R176-H179 WeakPolarHBondContact O-CB 3.1Å; R176-H179 PolarHBondContact O-N 3.11Å; R176-Q257 PolarHBondContact NE-O 2.99Å; R176-Q257 PolarHBondContact NH2-O 2.96Å; R176-P258 WeakPolarHBondContact CG-O 3.23Å; R176-P258 PolarHBondContact N-O 3.48Å | ||
| 177 | P | 93.2 | Very high | 96.5 | Very high | 107 Ų | 107 | 27 Ų | 27 | 70% | 0.695 | 16% | 0.158 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -24.5 | -175.2 | -27.1 | 35.4 | 0 | 0 | 0 | 115.2 | R67 S182 | R67-P177 PolarHBondContact NH1-O 2.71Å; R67-P177 PolarHBondContact NH2-O 3.26Å; P177-S182 PolarHBondContact O-OG 2.88Å |
| 178 | D | 93.5 | Very high | 96.3 | Very high | 109 Ų | 109 | 26.7 Ų | 26.7 | 58% | 0.583 | 16% | 0.157 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | -18.9 | 175.1 | 63.6 | -42.7 | 0 | 0 | 0 | 113.3 | R67 R176 | R67-D178 VanDerWaalsContact NH2-C 3.28Å; R67-D178 PolarHBondContact NH2-O 2.87Å; R176-D178 WeakPolarHBondContact CB-OD1 3.44Å; R176-D178 IonicContact NH1-OD1 2.79Å; R176-D178 IonicContact NH1-OD2 3.85Å; R176-D178 PolarHBondContact NH1-OD2 3.27Å; R176-D178 PolarHBondContact O-N 3.31Å; R176-D178 VanDerWaalsContact O-N 3.11Å |
| 179 | H | 96 | Very high | 96.2 | Very high | 12 Ų | 12 | 26.9 Ų | 26.9 | 6% | 0.056 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -82.2 | 138.2 | 176.7 | -163.4 | -95.3 | 0 | 0 | 0 | 111.2 | R176 Y181 S182 W254 D256 F336 | R176-H179 HydrophobicContact CB-CB 4.32Å; R176-H179 WeakPolarHBondContact O-CB 3.1Å; R176-H179 PolarHBondContact O-N 3.11Å; H179-Y181 VanDerWaalsContact ND1-CB 3.3Å; H179-Y181 WeakPolarHBondContact ND1-CB 3.32Å; H179-Y181 PolarHBondContact ND1-N 2.83Å; H179-Y181 PolarHBondContact O-N 3.02Å; H179-S182 PolarHBondContact O-N 3.34Å; H179-S182 PolarHBondContact O-OG 3.23Å; H179-W254 AromaticContact NE2-CD1 3.96Å; H179-D256 PolarHBondContact NE2-O 2.93Å; H179-F336 AromaticContact CE1-CE1 3.87Å |
| 180 | D | 96.8 | Very high | 96.1 | Very high | 43 Ų | 43 | 31.1 Ų | 31.1 | 23% | 0.23 | 17% | 0.17 | C | C | . | . | G | 310 helix | trans | -64.9 | -25.3 | -176 | -66.6 | -49.5 | 0 | 0 | 0 | 113.4 | L63 R67 S182 K183 W254 | L63-D180 HydrophobicContact CB-CB 4.26Å; L63-D180 HydrophobicContact CD2-CB 4.47Å; L63-D180 WeakPolarHBondContact CD2-O 3.45Å; R67-D180 IonicContact NH2-OD1 3.53Å; D180-S182 PolarHBondContact O-N 3.33Å; D180-K183 HydrophobicContact CB-CD 4.27Å; D180-K183 VanDerWaalsContact O-CB 3.26Å; D180-K183 WeakPolarHBondContact O-CB 3.35Å; D180-K183 WeakPolarHBondContact O-CG 3.3Å; D180-K183 PolarHBondContact O-N 3.12Å; D180-K183 WeakPolarHBondContact OD1-CE 3.49Å; D180-K183 IonicContact OD1-NZ 3.61Å; D180-K183 PolarHBondContact OD1-NZ 3.17Å; D180-W254 PolarHBondContact OD2-NE1 3.03Å |
| 181 | Y | 96.6 | Very high | 96.1 | Very high | 14 Ų | 14 | 31.2 Ų | 31.2 | 6% | 0.055 | 17% | 0.17 | C | C | . | . | G | 310 helix | trans | -59.5 | -15 | 176 | -168.4 | -115.4 | 0 | 0 | 0 | 113.8 | L63 T110 E171 S172 A175 H179 K183 P258 L332 F336 | L63-Y181 HydrophobicContact CD2-CD2 4.37Å; T110-Y181 HydrophobicContact CG2-CE2 4.39Å; E171-Y181 HydrophobicContact CG-CE1 4.37Å; S172-Y181 VanDerWaalsContact CB-O 3.29Å; S172-Y181 WeakPolarHBondContact CB-O 3.4Å; S172-Y181 PolarHBondContact OG-O 2.67Å; A175-Y181 HydrophobicContact CB-CD1 3.99Å; H179-Y181 VanDerWaalsContact ND1-CB 3.3Å; H179-Y181 WeakPolarHBondContact ND1-CB 3.32Å; H179-Y181 PolarHBondContact ND1-N 2.83Å; H179-Y181 PolarHBondContact O-N 3.02Å; Y181-K183 VanDerWaalsContact C-N 3.26Å; Y181-K183 PolarHBondContact O-N 3.49Å; Y181-P258 HydrophobicContact CD1-CB 3.89Å; Y181-P258 HydrophobicContact CD1-CG 4.36Å; Y181-P258 HydrophobicContact CG-CB 4.33Å; Y181-L332 HydrophobicContact CE1-CD1 4.27Å; Y181-L332 HydrophobicContact CE2-CB 4.17Å; Y181-L332 HydrophobicContact CE2-CD1 4.38Å; Y181-L332 HydrophobicContact CE2-CD2 4.37Å; Y181-L332 WeakPolarHBondContact OH-CD2 3.23Å; Y181-F336 HydrophobicContact CD1-CE2 4.32Å; Y181-F336 AromaticContact CD2-CE2 3.9Å; Y181-F336 HydrophobicContact CD2-CE2 3.9Å; Y181-F336 AromaticContact CD2-CZ 3.73Å; Y181-F336 HydrophobicContact CD2-CZ 3.73Å; Y181-F336 HydrophobicContact CE2-CE2 4.33Å; Y181-F336 HydrophobicContact CE2-CZ 4.49Å; Y181-F336 AromaticContact CG-CE2 3.92Å; Y181-F336 HydrophobicContact CG-CE2 3.92Å; Y181-F336 AromaticContact CG-CZ 3.87Å; Y181-F336 HydrophobicContact CG-CZ 3.87Å |
| 182 | S | 96.5 | Very high | 96 | Very high | 22 Ų | 22 | 31.2 Ų | 31.2 | 15% | 0.154 | 17% | 0.17 | C | C | . | . | G | 310 helix | trans | -78.5 | -1 | 171.7 | 67.8 | 0 | 0 | 0 | 0 | 114.9 | S172 P177 H179 D180 | S172-S182 WeakPolarHBondContact O-CA 3.49Å; P177-S182 PolarHBondContact O-OG 2.88Å; H179-S182 PolarHBondContact O-N 3.34Å; H179-S182 PolarHBondContact O-OG 3.23Å; D180-S182 PolarHBondContact O-N 3.33Å |
| 183 | K | 97.3 | Very high | 95.9 | Very high | 24 Ų | 24 | 31.4 Ų | 31.4 | 10% | 0.104 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -71.9 | 152.9 | 178.6 | -71.5 | 173.2 | -173.4 | 176.2 | 0 | 112 | L63 D65 S172 D180 Y181 | L63-K183 PolarHBondContact O-NZ 2.86Å; D65-K183 HydrophobicContact CB-CD 4.43Å; D65-K183 WeakPolarHBondContact O-CE 3.42Å; D65-K183 PolarHBondContact O-NZ 2.83Å; S172-K183 PolarHBondContact OG-O 3.36Å; D180-K183 HydrophobicContact CB-CD 4.27Å; D180-K183 VanDerWaalsContact O-CB 3.26Å; D180-K183 WeakPolarHBondContact O-CB 3.35Å; D180-K183 WeakPolarHBondContact O-CG 3.3Å; D180-K183 PolarHBondContact O-N 3.12Å; D180-K183 WeakPolarHBondContact OD1-CE 3.49Å; D180-K183 IonicContact OD1-NZ 3.61Å; D180-K183 PolarHBondContact OD1-NZ 3.17Å; Y181-K183 VanDerWaalsContact C-N 3.26Å; Y181-K183 PolarHBondContact O-N 3.49Å |
| 184 | F | 97.5 | Very high | 95.8 | Very high | 3 Ų | 3 | 34.9 Ų | 34.9 | 1% | 0.013 | 18% | 0.182 | C | C | . | . | trans | -98.3 | 113.7 | 173.7 | 163.7 | -121.5 | 0 | 0 | 0 | 109.2 | P70 G71 N156 G187 T191 W461 Y462 | P70-F184 HydrophobicContact CB-CB 4.2Å; P70-F184 HydrophobicContact CB-CD1 3.87Å; P70-F184 HydrophobicContact CB-CG 4.49Å; P70-F184 WeakPolarHBondContact CB-O 3.26Å; G71-F184 PolarHBondContact N-O 2.84Å; N156-F184 WeakPolarHBondContact OD1-CZ 3.34Å; F184-G187 WeakPolarHBondContact CZ-O 3.24Å; F184-T191 HydrophobicContact CD1-CG2 4.2Å; F184-T191 HydrophobicContact CE1-CG2 4.15Å; F184-W461 HydrophobicContact CB-CD2 3.93Å; F184-W461 HydrophobicContact CB-CG 4.04Å; F184-W461 HydrophobicContact CB-CZ2 4.02Å; F184-W461 AromaticContact CD1-CD2 3.82Å; F184-W461 HydrophobicContact CD1-CD2 3.82Å; F184-W461 AromaticContact CD1-CE3 3.82Å; F184-W461 HydrophobicContact CD1-CE3 3.82Å; F184-W461 HydrophobicContact CD1-CG 4.3Å; F184-W461 HydrophobicContact CD1-CH2 4.36Å; F184-W461 HydrophobicContact CD1-CZ2 4.38Å; F184-W461 HydrophobicContact CD1-CZ3 4.11Å; F184-W461 HydrophobicContact CD2-CB 4.2Å; F184-W461 HydrophobicContact CD2-CD2 4.42Å; F184-W461 HydrophobicContact CD2-CG 4.06Å; F184-W461 HydrophobicContact CE1-CD2 4.45Å; F184-W461 HydrophobicContact CE1-CE3 4.16Å; F184-W461 HydrophobicContact CE2-CB 4.38Å; F184-W461 HydrophobicContact CG-CB 4.46Å; F184-W461 AromaticContact CG-CD2 3.81Å; F184-W461 HydrophobicContact CG-CD2 3.81Å; F184-W461 AromaticContact CG-CE2 3.97Å; F184-W461 HydrophobicContact CG-CE3 4.29Å; F184-W461 AromaticContact CG-CG 3.88Å; F184-W461 HydrophobicContact CG-CG 3.88Å; F184-Y462 HydrophobicContact CE2-CE2 4.45Å | ||
| 185 | G | 97.1 | Very high | 95.8 | Very high | 10 Ų | 10 | 36.2 Ų | 36.2 | 10% | 0.103 | 19% | 0.189 | C | C | . | . | trans | -87.9 | -19.5 | -167.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | H62 G71 | H62-G185 VanDerWaalsContact CD2-CA 3.44Å; H62-G185 WeakPolarHBondContact CD2-CA 3.33Å; G71-G185 WeakPolarHBondContact CA-O 3.2Å | ||
| 186 | T | 96.5 | Very high | 95.7 | Very high | 15 Ų | 15 | 36 Ų | 36 | 9% | 0.092 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -74.8 | -42.8 | -175.4 | -43.5 | 0 | 0 | 0 | 0 | 112.1 | H74 V152 N156 Y159 Y462 | H74-T186 PolarHBondContact ND1-O 2.83Å; V152-T186 WeakPolarHBondContact CG1-O 3.45Å; N156-T186 HydrophobicContact CB-CG2 3.98Å; Y159-T186 HydrophobicContact CD2-CG2 3.88Å; Y159-T186 HydrophobicContact CE2-CG2 3.93Å; T186-Y462 PolarHBondContact OG1-OH 3.06Å |
| 187 | G | 96.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | trans | 77.3 | 173.5 | -168 | 0 | 0 | 0 | 0 | 0 | 113.9 | P70 N156 F184 T191 | P70-G187 WeakPolarHBondContact O-CA 3.13Å; N156-G187 WeakPolarHBondContact CB-O 3.28Å; F184-G187 WeakPolarHBondContact CZ-O 3.24Å; G187-T191 WeakPolarHBondContact CA-OG1 3.43Å | ||
| 188 | S | 94.2 | Very high | 95.5 | Very high | 10 Ų | 10 | 38.7 Ų | 38.7 | 7% | 0.07 | 20% | 0.197 | C | C | . | . | trans | -161.4 | 170.4 | 176.1 | 67.1 | 0 | 0 | 0 | 0 | 110.2 | D153 K190 T191 L192 | D153-S188 VanDerWaalsContact OD1-CB 3.31Å; D153-S188 WeakPolarHBondContact OD1-CB 3.35Å; S188-K190 PolarHBondContact O-N 2.82Å; S188-K190 PolarHBondContact OG-N 2.84Å; S188-T191 PolarHBondContact N-OG1 3.48Å; S188-T191 PolarHBondContact O-N 3.23Å; S188-T191 PolarHBondContact O-OG1 3.37Å; S188-T191 PolarHBondContact OG-N 3.25Å; S188-T191 VanDerWaalsContact OG-N 3.17Å; S188-L192 VanDerWaalsContact O-CB 3.29Å; S188-L192 WeakPolarHBondContact O-CB 2.81Å; S188-L192 WeakPolarHBondContact O-CG 3.36Å; S188-L192 PolarHBondContact O-N 2.67Å | ||
| 189 | L | 93.8 | Very high | 95.4 | Very high | 49 Ų | 49 | 40.6 Ų | 40.6 | 26% | 0.257 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -54 | -36.7 | 171.9 | 179.9 | 68 | 0 | 0 | 0 | 110.8 | V149 D153 F193 E194 | V149-L189 HydrophobicContact CG1-CD1 3.74Å; V149-L189 HydrophobicContact CG2-CD1 4.16Å; D153-L189 HydrophobicContact CB-CB 3.9Å; D153-L189 WeakPolarHBondContact OD1-CB 3.25Å; D153-L189 PolarHBondContact OD1-N 3.42Å; L189-F193 HydrophobicContact CD1-CB 4.05Å; L189-F193 WeakPolarHBondContact O-CA 3.48Å; L189-F193 VanDerWaalsContact O-CB 3.25Å; L189-F193 WeakPolarHBondContact O-CB 3.03Å; L189-F193 PolarHBondContact O-N 2.99Å; L189-E194 HydrophobicContact CG-CG 4.43Å; L189-E194 PolarHBondContact O-N 2.84Å |
| 190 | K | 95.6 | Very high | 95.2 | Very high | 106 Ų | 106 | 43.4 Ų | 43.4 | 46% | 0.461 | 23% | 0.234 | S | C | . | . | I | π-helix | trans | -66.8 | -53.1 | 176.7 | -178.9 | 167.9 | 180 | 172.6 | 0 | 113 | S188 L192 E194 D195 | S188-K190 PolarHBondContact O-N 2.82Å; S188-K190 PolarHBondContact OG-N 2.84Å; K190-L192 VanDerWaalsContact C-N 3.34Å; K190-L192 PolarHBondContact O-N 2.66Å; K190-E194 HydrophobicContact CG-CB 4.45Å; K190-E194 PolarHBondContact O-N 3.23Å; K190-D195 VanDerWaalsContact CE-CG 3.43Å; K190-D195 WeakPolarHBondContact CE-OD1 3.07Å; K190-D195 WeakPolarHBondContact CE-OD2 3.34Å; K190-D195 IonicContact NZ-OD1 2.72Å; K190-D195 WeakPolarHBondContact O-CB 3.41Å; K190-D195 PolarHBondContact O-N 3.27Å |
| 191 | T | 97.1 | Very high | 95.1 | Very high | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.012 | 24% | 0.237 | C | C | . | . | I | π-helix | trans | -74.3 | -26.7 | -174.6 | 62.8 | 0 | 0 | 0 | 0 | 113.3 | P70 F184 G187 S188 P196 W461 | P70-T191 HydrophobicContact CB-CG2 4.25Å; P70-T191 HydrophobicContact CG-CG2 4.35Å; P70-T191 WeakPolarHBondContact O-CB 3.38Å; P70-T191 PolarHBondContact O-OG1 3.49Å; F184-T191 HydrophobicContact CD1-CG2 4.2Å; F184-T191 HydrophobicContact CE1-CG2 4.15Å; G187-T191 WeakPolarHBondContact CA-OG1 3.43Å; S188-T191 PolarHBondContact N-OG1 3.48Å; S188-T191 PolarHBondContact O-N 3.23Å; S188-T191 PolarHBondContact O-OG1 3.37Å; S188-T191 PolarHBondContact OG-N 3.25Å; S188-T191 VanDerWaalsContact OG-N 3.17Å; T191-P196 WeakPolarHBondContact O-CD 3.13Å; T191-P196 WeakPolarHBondContact O-CG 3.15Å; T191-W461 HydrophobicContact CG2-CE3 4.31Å; T191-W461 HydrophobicContact CG2-CH2 3.82Å; T191-W461 HydrophobicContact CG2-CZ3 3.41Å; T191-W461 VanDerWaalsContact CG2-CZ3 3.41Å |
| 192 | L | 96.7 | Very high | 95 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.254 | C | S | . | . | I | π-helix | trans | -96.5 | -24.6 | -177.2 | -63.8 | 169.7 | 0 | 0 | 0 | 112.6 | F75 V149 V152 S188 K190 T203 | F75-L192 HydrophobicContact CB-CD1 3.73Å; F75-L192 HydrophobicContact CB-CD2 4.16Å; F75-L192 HydrophobicContact CD1-CB 4.41Å; F75-L192 HydrophobicContact CD1-CD1 3.97Å; F75-L192 HydrophobicContact CD1-CD2 4.16Å; F75-L192 HydrophobicContact CD1-CG 4.41Å; F75-L192 HydrophobicContact CD2-CD1 4.48Å; F75-L192 HydrophobicContact CG-CD1 3.82Å; V149-L192 HydrophobicContact CG2-CB 3.8Å; V149-L192 HydrophobicContact CG2-CD1 4.13Å; V152-L192 HydrophobicContact CB-CD1 4.41Å; V152-L192 HydrophobicContact CG1-CD1 3.89Å; S188-L192 VanDerWaalsContact O-CB 3.29Å; S188-L192 WeakPolarHBondContact O-CB 2.81Å; S188-L192 WeakPolarHBondContact O-CG 3.36Å; S188-L192 PolarHBondContact O-N 2.67Å; K190-L192 VanDerWaalsContact C-N 3.34Å; K190-L192 PolarHBondContact O-N 2.66Å; L192-T203 WeakPolarHBondContact O-CB 3.34Å; L192-T203 WeakPolarHBondContact O-CG2 3.26Å; L192-T203 PolarHBondContact O-OG1 3.43Å |
| 193 | F | 94 | Very high | 94.9 | Very high | 13 Ų | 13 | 46.1 Ų | 46.1 | 6% | 0.057 | 25% | 0.247 | C | C | . | . | I | π-helix | trans | -129.3 | -54.6 | -174.8 | -98.7 | -116 | 0 | 0 | 0 | 114 | F75 T145 E146 V149 L189 R197 T203 | F75-F193 AromaticContact CE1-CE2 3.98Å; F75-F193 HydrophobicContact CE1-CE2 3.98Å; F75-F193 HydrophobicContact CZ-CE2 4.17Å; T145-F193 HydrophobicContact CG2-CE2 3.89Å; T145-F193 HydrophobicContact CG2-CZ 3.85Å; E146-F193 HydrophobicContact CB-CE1 4.48Å; E146-F193 HydrophobicContact CG-CE1 3.93Å; E146-F193 HydrophobicContact CG-CZ 4.23Å; V149-F193 HydrophobicContact CB-CD2 3.86Å; V149-F193 HydrophobicContact CB-CE2 3.89Å; V149-F193 HydrophobicContact CG1-CD1 4.49Å; V149-F193 HydrophobicContact CG1-CD2 3.85Å; V149-F193 HydrophobicContact CG1-CE2 3.87Å; V149-F193 HydrophobicContact CG1-CG 4.17Å; V149-F193 HydrophobicContact CG1-CZ 4.24Å; V149-F193 HydrophobicContact CG2-CD2 3.66Å; V149-F193 HydrophobicContact CG2-CE2 4.19Å; V149-F193 HydrophobicContact CG2-CG 4.33Å; L189-F193 HydrophobicContact CD1-CB 4.05Å; L189-F193 WeakPolarHBondContact O-CA 3.48Å; L189-F193 VanDerWaalsContact O-CB 3.25Å; L189-F193 WeakPolarHBondContact O-CB 3.03Å; L189-F193 PolarHBondContact O-N 2.99Å; F193-R197 VanDerWaalsContact CE1-NH2 3.3Å; F193-R197 WeakPolarHBondContact O-CB 3.44Å; F193-R197 WeakPolarHBondContact O-CD 3.43Å; F193-R197 WeakPolarHBondContact O-CG 3.4Å; F193-R197 PolarHBondContact O-N 2.68Å; F193-T203 HydrophobicContact CD2-CG2 4.16Å; F193-T203 HydrophobicContact CE2-CG2 4.04Å |
| 194 | E | 94.5 | Very high | 94.8 | Very high | 110 Ų | 110 | 48.4 Ų | 48.4 | 51% | 0.514 | 26% | 0.256 | S | S | . | . | I | π-helix | trans | -67.1 | -55.7 | -173.5 | -54.4 | -177.3 | 145.4 | 0 | 0 | 112.5 | L189 K190 R197 S198 | L189-E194 HydrophobicContact CG-CG 4.43Å; L189-E194 PolarHBondContact O-N 2.84Å; K190-E194 HydrophobicContact CG-CB 4.45Å; K190-E194 PolarHBondContact O-N 3.23Å; E194-R197 PolarHBondContact O-N 3.03Å; E194-S198 PolarHBondContact O-N 3.22Å |
| 195 | D | 95.2 | Very high | 94.8 | Very high | 47 Ų | 47 | 52.1 Ų | 52.1 | 25% | 0.251 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -64.2 | -44.7 | -179.2 | -71.2 | -16.7 | 0 | 0 | 0 | 111 | K190 S198 H199 | K190-D195 VanDerWaalsContact CE-CG 3.43Å; K190-D195 WeakPolarHBondContact CE-OD1 3.07Å; K190-D195 WeakPolarHBondContact CE-OD2 3.34Å; K190-D195 IonicContact NZ-OD1 2.72Å; K190-D195 WeakPolarHBondContact O-CB 3.41Å; K190-D195 PolarHBondContact O-N 3.27Å; D195-S198 PolarHBondContact O-N 3.03Å; D195-S198 PolarHBondContact O-OG 3.44Å; D195-H199 PolarHBondContact O-N 3.05Å; D195-H199 PolarHBondContact O-ND1 2.95Å |
| 196 | P | 94.5 | Very high | 94.8 | Very high | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.006 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.5 | -46.1 | 175.2 | -27.7 | 37.5 | 0 | 0 | 0 | 113.5 | L69 T191 S198 H199 G200 L201 | L69-P196 HydrophobicContact CD2-CB 3.87Å; L69-P196 HydrophobicContact CD2-CG 3.34Å; L69-P196 HydrophobicContact CG-CG 4.16Å; T191-P196 WeakPolarHBondContact O-CD 3.13Å; T191-P196 WeakPolarHBondContact O-CG 3.15Å; P196-S198 VanDerWaalsContact C-N 3.3Å; P196-S198 PolarHBondContact O-N 3.4Å; P196-H199 CarbonylContact O-C 3.51Å; P196-H199 PolarHBondContact O-N 3.2Å; P196-G200 PolarHBondContact O-N 3.2Å; P196-L201 CarbonylContact C-O 3.39Å; P196-L201 HydrophobicContact CB-CB 3.93Å; P196-L201 PolarHBondContact O-N 2.78Å |
| 197 | R | 93 | Very high | 94.8 | Very high | 138 Ų | 138 | 52.4 Ų | 52.4 | 52% | 0.521 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61.3 | -37.5 | 178.6 | -75.7 | 172 | 169 | -167.3 | -10.3 | 111.9 | E146 F193 E194 H199 G200 | E146-R197 IonicContact OE1-CZ 3.04Å; E146-R197 IonicContact OE1-NH1 2.65Å; E146-R197 IonicContact OE1-NH2 3.95Å; E146-R197 PolarHBondContact OE1-NH2 3.4Å; F193-R197 VanDerWaalsContact CE1-NH2 3.3Å; F193-R197 WeakPolarHBondContact O-CB 3.44Å; F193-R197 WeakPolarHBondContact O-CD 3.43Å; F193-R197 WeakPolarHBondContact O-CG 3.4Å; F193-R197 PolarHBondContact O-N 2.68Å; E194-R197 PolarHBondContact O-N 3.03Å; R197-H199 PolarHBondContact O-N 3.12Å; R197-G200 PolarHBondContact O-N 2.74Å; R197-G200 VanDerWaalsContact O-N 3.09Å |
| 198 | S | 93.4 | Very high | 94.8 | Very high | 85 Ų | 85 | 54.4 Ų | 54.4 | 59% | 0.594 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -65.5 | -21 | 177.2 | 72.9 | 0 | 0 | 0 | 0 | 113.6 | E194 D195 P196 | E194-S198 PolarHBondContact O-N 3.22Å; D195-S198 PolarHBondContact O-N 3.03Å; D195-S198 PolarHBondContact O-OG 3.44Å; P196-S198 VanDerWaalsContact C-N 3.3Å; P196-S198 PolarHBondContact O-N 3.4Å |
| 199 | H | 90.9 | Very high | 94.9 | Very high | 149 Ų | 149 | 58.8 Ų | 58.8 | 69% | 0.69 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.2 | 8.3 | 175.5 | -59 | 93.5 | 0 | 0 | 0 | 113.3 | D195 P196 R197 | D195-H199 PolarHBondContact O-N 3.05Å; D195-H199 PolarHBondContact O-ND1 2.95Å; P196-H199 CarbonylContact O-C 3.51Å; P196-H199 PolarHBondContact O-N 3.2Å; R197-H199 PolarHBondContact O-N 3.12Å |
| 200 | G | 92.7 | Very high | 95.1 | Very high | 71 Ų | 71 | 56.8 Ų | 56.8 | 73% | 0.732 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77 | 15.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | P196 R197 | P196-G200 PolarHBondContact O-N 3.2Å; R197-G200 PolarHBondContact O-N 2.74Å; R197-G200 VanDerWaalsContact O-N 3.09Å |
| 201 | L | 94 | Very high | 95.2 | Very high | 56 Ų | 56 | 52.5 Ų | 52.5 | 29% | 0.293 | 27% | 0.272 | S | S | . | . | trans | -86.6 | 135.2 | 173.5 | -65.3 | 174.7 | 0 | 0 | 0 | 110.8 | E68 P196 | E68-L201 HydrophobicContact CB-CD1 3.94Å; P196-L201 CarbonylContact C-O 3.39Å; P196-L201 HydrophobicContact CB-CB 3.93Å; P196-L201 PolarHBondContact O-N 2.78Å | ||
| 202 | D | 94.7 | Very high | 95.2 | Very high | 77 Ų | 77 | 61 Ų | 61 | 41% | 0.412 | 30% | 0.304 | S | S | . | . | trans | -99.4 | 107.4 | 170.7 | 179.2 | -18.1 | 0 | 0 | 0 | 109.1 | R204 N205 E206 | D202-R204 PolarHBondContact O-N 3.36Å; D202-R204 VanDerWaalsContact OD1-CB 3.27Å; D202-R204 WeakPolarHBondContact OD1-CB 3.49Å; D202-R204 PolarHBondContact OD1-N 3.23Å; D202-N205 HydrophobicContact CB-CB 4.24Å; D202-N205 WeakPolarHBondContact CB-ND2 3.09Å; D202-N205 PolarHBondContact O-N 3.15Å; D202-N205 PolarHBondContact OD1-N 2.93Å; D202-N205 PolarHBondContact OD2-ND2 3.14Å; D202-E206 PolarHBondContact O-N 3.39Å | ||
| 203 | T | 94.9 | Very high | 95.2 | Very high | 2 Ų | 2 | 65.3 Ų | 65.3 | 1% | 0.012 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -52.7 | -37 | -179.9 | -41.9 | 0 | 0 | 0 | 0 | 113.1 | L69 F75 L192 F193 E206 L207 | L69-T203 HydrophobicContact CD2-CG2 4.19Å; F75-T203 HydrophobicContact CD1-CG2 4.16Å; F75-T203 HydrophobicContact CE1-CG2 3.89Å; L192-T203 WeakPolarHBondContact O-CB 3.34Å; L192-T203 WeakPolarHBondContact O-CG2 3.26Å; L192-T203 PolarHBondContact O-OG1 3.43Å; F193-T203 HydrophobicContact CD2-CG2 4.16Å; F193-T203 HydrophobicContact CE2-CG2 4.04Å; T203-E206 PolarHBondContact O-N 2.92Å; T203-L207 WeakPolarHBondContact O-CG 3.5Å; T203-L207 PolarHBondContact O-N 2.59Å |
| 204 | R | 95.3 | Very high | 95.4 | Very high | 73 Ų | 73 | 66.3 Ų | 66.3 | 28% | 0.275 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -67.8 | -40.1 | 179.8 | -175.7 | -165.4 | 172.9 | -84.5 | -20.1 | 111.1 | L139 F140 T145 D202 E206 L207 L208 | L139-R204 PolarHBondContact O-NH2 2.9Å; F140-R204 HydrophobicContact CB-CG 4.47Å; F140-R204 VanDerWaalsContact O-CZ 3.29Å; F140-R204 PolarHBondContact O-NE 2.9Å; F140-R204 PolarHBondContact O-NH2 3.16Å; F140-R204 VanDerWaalsContact O-NH2 3.07Å; T145-R204 HydrophobicContact CG2-CB 4.43Å; D202-R204 PolarHBondContact O-N 3.36Å; D202-R204 VanDerWaalsContact OD1-CB 3.27Å; D202-R204 WeakPolarHBondContact OD1-CB 3.49Å; D202-R204 PolarHBondContact OD1-N 3.23Å; R204-E206 VanDerWaalsContact C-N 3.33Å; R204-L207 PolarHBondContact O-N 3.36Å; R204-L208 WeakPolarHBondContact O-CG 3.2Å; R204-L208 PolarHBondContact O-N 2.81Å; R204-L208 VanDerWaalsContact O-N 3.07Å |
| 205 | N | 96.2 | Very high | 95.5 | Very high | 80 Ų | 80 | 61.2 Ų | 61.2 | 43% | 0.428 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -70 | -34.9 | 176.4 | -64 | -33 | 0 | 0 | 0 | 111.1 | D202 L208 K209 | D202-N205 HydrophobicContact CB-CB 4.24Å; D202-N205 WeakPolarHBondContact CB-ND2 3.09Å; D202-N205 PolarHBondContact O-N 3.15Å; D202-N205 PolarHBondContact OD1-N 2.93Å; D202-N205 PolarHBondContact OD2-ND2 3.14Å; N205-L208 PolarHBondContact O-N 2.67Å; N205-K209 VanDerWaalsContact O-CB 3.24Å; N205-K209 WeakPolarHBondContact O-CB 3.4Å; N205-K209 PolarHBondContact O-N 2.69Å |
| 206 | E | 96.8 | Very high | 95.7 | Very high | 32 Ų | 32 | 59 Ų | 59 | 15% | 0.15 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -71 | -34.3 | 174.7 | -68.8 | -65.7 | 135.2 | 0 | 0 | 112.6 | L69 L72 D202 T203 R204 K209 F210 | L69-E206 HydrophobicContact CD1-CB 3.61Å; L69-E206 HydrophobicContact CD1-CG 3.73Å; L72-E206 HydrophobicContact CD2-CB 4.43Å; D202-E206 PolarHBondContact O-N 3.39Å; T203-E206 PolarHBondContact O-N 2.92Å; R204-E206 VanDerWaalsContact C-N 3.33Å; E206-K209 PolarHBondContact O-N 2.65Å; E206-K209 WeakPolarHBondContact OE1-CD 3.44Å; E206-K209 IonicContact OE1-NZ 3.45Å; E206-K209 PolarHBondContact OE1-NZ 3.08Å; E206-K209 WeakPolarHBondContact OE2-CD 3.43Å; E206-K209 WeakPolarHBondContact OE2-CE 3.37Å; E206-K209 IonicContact OE2-NZ 2.98Å; E206-K209 PolarHBondContact OE2-NZ 3.16Å; E206-F210 VanDerWaalsContact O-CB 3.27Å; E206-F210 WeakPolarHBondContact O-CB 3.39Å; E206-F210 PolarHBondContact O-N 3.46Å |
| 207 | L | 96.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60.5 | -50 | 167.8 | -77.8 | 171.7 | 0 | 0 | 0 | 112.2 | L72 F75 C76 M79 F140 T145 T203 R204 K209 F210 H211 | L72-L207 HydrophobicContact CD1-CD2 3.61Å; L72-L207 HydrophobicContact CD1-CG 3.89Å; L72-L207 HydrophobicContact CG-CD2 4.3Å; F75-L207 HydrophobicContact CD1-CD1 3.86Å; F75-L207 HydrophobicContact CD1-CD2 4.11Å; F75-L207 HydrophobicContact CD1-CG 4.3Å; F75-L207 HydrophobicContact CE1-CD1 3.68Å; F75-L207 HydrophobicContact CZ-CD1 4.33Å; C76-L207 HydrophobicContact CB-CD2 3.66Å; M79-L207 HydrophobicContact CG-CD1 4.11Å; F140-L207 HydrophobicContact CD1-CB 3.89Å; F140-L207 HydrophobicContact CD1-CD1 3.95Å; F140-L207 HydrophobicContact CD1-CG 4.41Å; F140-L207 HydrophobicContact CE1-CB 3.99Å; F140-L207 HydrophobicContact CE1-CD1 4.37Å; F140-L207 HydrophobicContact CE1-CD2 4.28Å; F140-L207 HydrophobicContact CE1-CG 4.48Å; F140-L207 HydrophobicContact CG-CB 4.39Å; T145-L207 HydrophobicContact CG2-CD1 3.84Å; T203-L207 WeakPolarHBondContact O-CG 3.5Å; T203-L207 PolarHBondContact O-N 2.59Å; R204-L207 PolarHBondContact O-N 3.36Å; L207-K209 VanDerWaalsContact C-N 3.25Å; L207-K209 PolarHBondContact O-N 3.08Å; L207-F210 PolarHBondContact O-N 2.76Å; L207-H211 PolarHBondContact O-N 2.93Å |
| 208 | L | 96.5 | Very high | 96 | Very high | 42 Ų | 42 | 54 Ų | 54 | 22% | 0.22 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60 | -36.3 | 176.6 | -78.9 | 164.2 | 0 | 0 | 0 | 112.3 | F140 R204 N205 R212 | F140-L208 HydrophobicContact CB-CD2 4.43Å; F140-L208 HydrophobicContact CB-CG 4.33Å; F140-L208 HydrophobicContact CD2-CD2 3.58Å; F140-L208 HydrophobicContact CD2-CG 3.97Å; F140-L208 HydrophobicContact CE2-CD2 4.29Å; F140-L208 HydrophobicContact CG-CD2 4.4Å; F140-L208 HydrophobicContact CG-CG 4.44Å; R204-L208 WeakPolarHBondContact O-CG 3.2Å; R204-L208 PolarHBondContact O-N 2.81Å; R204-L208 VanDerWaalsContact O-N 3.07Å; N205-L208 PolarHBondContact O-N 2.67Å; L208-R212 WeakPolarHBondContact O-CB 3.4Å; L208-R212 PolarHBondContact O-N 2.89Å |
| 209 | K | 97.2 | Very high | 96.2 | Very high | 102 Ų | 102 | 50 Ų | 50 | 44% | 0.443 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -71.9 | -43.6 | 175.4 | 174.7 | -179.2 | 158.9 | -148.9 | 0 | 111.5 | N205 E206 L207 R212 Q213 | N205-K209 VanDerWaalsContact O-CB 3.24Å; N205-K209 WeakPolarHBondContact O-CB 3.4Å; N205-K209 PolarHBondContact O-N 2.69Å; E206-K209 PolarHBondContact O-N 2.65Å; E206-K209 WeakPolarHBondContact OE1-CD 3.44Å; E206-K209 IonicContact OE1-NZ 3.45Å; E206-K209 PolarHBondContact OE1-NZ 3.08Å; E206-K209 WeakPolarHBondContact OE2-CD 3.43Å; E206-K209 WeakPolarHBondContact OE2-CE 3.37Å; E206-K209 IonicContact OE2-NZ 2.98Å; E206-K209 PolarHBondContact OE2-NZ 3.16Å; L207-K209 VanDerWaalsContact C-N 3.25Å; L207-K209 PolarHBondContact O-N 3.08Å; K209-R212 PolarHBondContact O-N 2.83Å; K209-Q213 WeakPolarHBondContact O-CB 3.23Å; K209-Q213 PolarHBondContact O-N 3.01Å |
| 210 | F | 97.8 | Very high | 96.6 | Very high | 7 Ų | 7 | 42.9 Ų | 42.9 | 3% | 0.031 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.1 | -48.3 | 176.5 | -171.8 | -86.2 | 0 | 0 | 0 | 111.1 | I60 L72 A73 C76 E206 L207 Q213 Y214 Y215 | I60-F210 HydrophobicContact CG2-CE1 4.12Å; I60-F210 HydrophobicContact CG2-CZ 3.77Å; L72-F210 HydrophobicContact CD2-CB 4.01Å; L72-F210 HydrophobicContact CD2-CD2 3.83Å; L72-F210 HydrophobicContact CD2-CG 4.16Å; L72-F210 HydrophobicContact CG-CB 4.49Å; L72-F210 HydrophobicContact CG-CD2 4.31Å; L72-F210 HydrophobicContact CG-CG 4.43Å; A73-F210 HydrophobicContact CB-CE1 4.13Å; A73-F210 HydrophobicContact CB-CZ 3.74Å; C76-F210 HydrophobicContact CB-CD1 4.25Å; E206-F210 VanDerWaalsContact O-CB 3.27Å; E206-F210 WeakPolarHBondContact O-CB 3.39Å; E206-F210 PolarHBondContact O-N 3.46Å; L207-F210 PolarHBondContact O-N 2.76Å; F210-Q213 PolarHBondContact O-N 3.49Å; F210-Y214 HydrophobicContact CD1-CD2 4.11Å; F210-Y214 AromaticContact CD2-CD2 3.5Å; F210-Y214 HydrophobicContact CD2-CD2 3.5Å; F210-Y214 VanDerWaalsContact CD2-CD2 3.5Å; F210-Y214 AromaticContact CD2-CE2 3.59Å; F210-Y214 HydrophobicContact CD2-CE2 3.59Å; F210-Y214 HydrophobicContact CE1-CD2 4.05Å; F210-Y214 AromaticContact CE2-CD2 3.44Å; F210-Y214 HydrophobicContact CE2-CD2 3.44Å; F210-Y214 VanDerWaalsContact CE2-CD2 3.44Å; F210-Y214 AromaticContact CE2-CE2 3.48Å; F210-Y214 HydrophobicContact CE2-CE2 3.48Å; F210-Y214 VanDerWaalsContact CE2-CE2 3.48Å; F210-Y214 AromaticContact CG-CD2 3.83Å; F210-Y214 HydrophobicContact CG-CD2 3.83Å; F210-Y214 HydrophobicContact CG-CE2 4.36Å; F210-Y214 AromaticContact CZ-CD2 3.72Å; F210-Y214 HydrophobicContact CZ-CD2 3.72Å; F210-Y214 HydrophobicContact CZ-CE2 4.16Å; F210-Y214 WeakPolarHBondContact O-CB 3.21Å; F210-Y214 PolarHBondContact O-N 2.9Å; F210-Y215 HydrophobicContact CD1-CE2 4.12Å; F210-Y215 HydrophobicContact CE1-CE2 4.11Å |
| 211 | H | 97.8 | Very high | 96.9 | Very high | 15 Ų | 15 | 39.5 Ų | 39.5 | 7% | 0.069 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.4 | -51.7 | 174.7 | -175.1 | -82.8 | 0 | 0 | 0 | 111.9 | F134 F140 L207 Q213 Y214 Y215 K247 | F134-H211 PolarHBondContact O-NE2 3.04Å; F140-H211 HydrophobicContact CE2-CB 3.98Å; F140-H211 HydrophobicContact CZ-CB 4.09Å; L207-H211 PolarHBondContact O-N 2.93Å; H211-Q213 VanDerWaalsContact C-N 3.26Å; H211-Q213 PolarHBondContact O-N 2.85Å; H211-Y214 PolarHBondContact O-N 3.13Å; H211-Y215 HydrophobicContact CB-CD2 4.22Å; H211-Y215 AromaticContact CD2-CD1 3.52Å; H211-Y215 AromaticContact CD2-CD2 3.81Å; H211-Y215 AromaticContact CD2-CE1 3.87Å; H211-Y215 AromaticContact CD2-CG 3.49Å; H211-Y215 VanDerWaalsContact CD2-CG 3.49Å; H211-Y215 AromaticContact CG-CG 3.97Å; H211-Y215 AromaticContact NE2-CD1 3.65Å; H211-Y215 AromaticContact NE2-CG 3.82Å; H211-Y215 WeakPolarHBondContact O-CB 3.12Å; H211-Y215 PolarHBondContact O-N 2.72Å; H211-K247 PolarHBondContact O-NZ 2.94Å |
| 212 | R | 96.6 | Very high | 97.1 | Very high | 180 Ų | 180 | 36.8 Ų | 36.8 | 68% | 0.679 | 17% | 0.166 | S | C | * | . | H | α-helix | trans | -58.4 | -36.6 | 178.1 | -173 | -175 | -53 | -144.2 | -1.9 | 112.7 | L208 K209 K247 | L208-R212 WeakPolarHBondContact O-CB 3.4Å; L208-R212 PolarHBondContact O-N 2.89Å; K209-R212 PolarHBondContact O-N 2.83Å; R212-K247 VanDerWaalsContact O-CD 3.27Å; R212-K247 WeakPolarHBondContact O-CD 2.98Å; R212-K247 WeakPolarHBondContact O-CE 3.45Å; R212-K247 PolarHBondContact O-NZ 3.3Å |
| 213 | Q | 96.3 | Very high | 97.3 | Very high | 91 Ų | 91 | 33.1 Ų | 33.1 | 43% | 0.425 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -72.7 | -59.6 | 176.8 | -178.1 | 169.2 | -26.2 | 0 | 0 | 110.7 | K209 F210 H211 K247 L249 | K209-Q213 WeakPolarHBondContact O-CB 3.23Å; K209-Q213 PolarHBondContact O-N 3.01Å; F210-Q213 PolarHBondContact O-N 3.49Å; H211-Q213 VanDerWaalsContact C-N 3.26Å; H211-Q213 PolarHBondContact O-N 2.85Å; Q213-K247 WeakPolarHBondContact O-CD 3.49Å; Q213-L249 WeakPolarHBondContact O-CD1 3.47Å |
| 214 | Y | 97.6 | Very high | 97.5 | Very high | 34 Ų | 34 | 33 Ų | 33 | 13% | 0.133 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -96.9 | -24 | -160 | -69.6 | -57.6 | 0 | 0 | 0 | 116.2 | I60 N64 F210 H211 S216 L249 F252 | I60-Y214 HydrophobicContact CD1-CD1 3.73Å; I60-Y214 HydrophobicContact CD1-CE1 4.4Å; I60-Y214 HydrophobicContact CD1-CG 4.21Å; I60-Y214 HydrophobicContact CG1-CD1 4.45Å; I60-Y214 HydrophobicContact CG1-CG 4.49Å; I60-Y214 HydrophobicContact CG2-CG 4.19Å; N64-Y214 HydrophobicContact CB-CE2 4.46Å; F210-Y214 HydrophobicContact CD1-CD2 4.11Å; F210-Y214 AromaticContact CD2-CD2 3.5Å; F210-Y214 HydrophobicContact CD2-CD2 3.5Å; F210-Y214 VanDerWaalsContact CD2-CD2 3.5Å; F210-Y214 AromaticContact CD2-CE2 3.59Å; F210-Y214 HydrophobicContact CD2-CE2 3.59Å; F210-Y214 HydrophobicContact CE1-CD2 4.05Å; F210-Y214 AromaticContact CE2-CD2 3.44Å; F210-Y214 HydrophobicContact CE2-CD2 3.44Å; F210-Y214 VanDerWaalsContact CE2-CD2 3.44Å; F210-Y214 AromaticContact CE2-CE2 3.48Å; F210-Y214 HydrophobicContact CE2-CE2 3.48Å; F210-Y214 VanDerWaalsContact CE2-CE2 3.48Å; F210-Y214 AromaticContact CG-CD2 3.83Å; F210-Y214 HydrophobicContact CG-CD2 3.83Å; F210-Y214 HydrophobicContact CG-CE2 4.36Å; F210-Y214 AromaticContact CZ-CD2 3.72Å; F210-Y214 HydrophobicContact CZ-CD2 3.72Å; F210-Y214 HydrophobicContact CZ-CE2 4.16Å; F210-Y214 WeakPolarHBondContact O-CB 3.21Å; F210-Y214 PolarHBondContact O-N 2.9Å; H211-Y214 PolarHBondContact O-N 3.13Å; Y214-S216 PolarHBondContact O-N 2.86Å; Y214-L249 HydrophobicContact CD1-CD1 4.42Å; Y214-F252 HydrophobicContact CD1-CE2 4.34Å; Y214-F252 AromaticContact CE1-CE2 3.98Å; Y214-F252 HydrophobicContact CE1-CE2 3.98Å; Y214-F252 AromaticContact CE1-CZ 3.9Å; Y214-F252 HydrophobicContact CE1-CZ 3.9Å |
| 215 | Y | 97.9 | Very high | 97.7 | Very high | 3 Ų | 3 | 29.6 Ų | 29.6 | 1% | 0.012 | 13% | 0.133 | C | C | . | . | trans | -78.7 | 74.2 | -176.8 | -76.9 | -119.7 | 0 | 0 | 0 | 110.1 | L58 C76 L80 Y115 F135 F210 H211 M220 K247 | L58-Y215 HydrophobicContact CD2-CD1 3.78Å; L58-Y215 HydrophobicContact CD2-CD2 3.69Å; L58-Y215 HydrophobicContact CD2-CE1 3.71Å; L58-Y215 HydrophobicContact CD2-CE2 3.68Å; L58-Y215 HydrophobicContact CD2-CG 3.77Å; C76-Y215 PolarHBondContact SG-OH 3.34Å; L80-Y215 HydrophobicContact CD1-CE1 3.61Å; Y115-Y215 HydrophobicContact CE2-CE1 4.43Å; Y115-Y215 PolarHBondContact OH-OH 3.48Å; F135-Y215 HydrophobicContact CD1-CD1 4.17Å; F135-Y215 HydrophobicContact CD1-CE1 4.41Å; F210-Y215 HydrophobicContact CD1-CE2 4.12Å; F210-Y215 HydrophobicContact CE1-CE2 4.11Å; H211-Y215 HydrophobicContact CB-CD2 4.22Å; H211-Y215 AromaticContact CD2-CD1 3.52Å; H211-Y215 AromaticContact CD2-CD2 3.81Å; H211-Y215 AromaticContact CD2-CE1 3.87Å; H211-Y215 AromaticContact CD2-CG 3.49Å; H211-Y215 VanDerWaalsContact CD2-CG 3.49Å; H211-Y215 AromaticContact CG-CG 3.97Å; H211-Y215 AromaticContact NE2-CD1 3.65Å; H211-Y215 AromaticContact NE2-CG 3.82Å; H211-Y215 WeakPolarHBondContact O-CB 3.12Å; H211-Y215 PolarHBondContact O-N 2.72Å; Y215-M220 HydrophobicContact CD1-CE 4Å; Y215-M220 HydrophobicContact CG-CE 4.27Å; Y215-K247 WeakPolarHBondContact O-CE 3.28Å; Y215-K247 PolarHBondContact O-NZ 3.34Å | ||
| 216 | S | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 11% | 0.112 | C | C | . | . | trans | -105.5 | 132.9 | -177.4 | -171.9 | 0 | 0 | 0 | 0 | 110.3 | Y214 N218 L219 M220 K247 | Y214-S216 PolarHBondContact O-N 2.86Å; S216-N218 WeakPolarHBondContact CB-OD1 3.43Å; S216-N218 PolarHBondContact O-N 2.97Å; S216-N218 VanDerWaalsContact O-N 3.15Å; S216-N218 PolarHBondContact OG-OD1 2.72Å; S216-L219 PolarHBondContact O-N 2.81Å; S216-M220 WeakPolarHBondContact O-CG 3.39Å; S216-K247 WeakPolarHBondContact OG-CB 3.3Å; S216-K247 PolarHBondContact OG-N 2.99Å | ||
| 217 | S | 98.1 | Very high | 97.8 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 13% | 0.126 | C | C | . | . | G | 310 helix | trans | -58.7 | -29.5 | -178.1 | 29.9 | 0 | 0 | 0 | 0 | 114.2 | N37 M39 L219 M220 V244 M245 N246 | N37-S217 WeakPolarHBondContact CB-OG 3.46Å; N37-S217 VanDerWaalsContact CG-CB 3.47Å; N37-S217 WeakPolarHBondContact ND2-CB 3.2Å; N37-S217 PolarHBondContact O-OG 2.83Å; M39-S217 VanDerWaalsContact CA-O 3.24Å; M39-S217 WeakPolarHBondContact CA-O 3.23Å; M39-S217 PolarHBondContact N-O 3.46Å; S217-L219 PolarHBondContact O-N 3.29Å; S217-M220 WeakPolarHBondContact O-CB 3.19Å; S217-M220 PolarHBondContact O-N 2.74Å; S217-V244 WeakPolarHBondContact CB-O 3.47Å; S217-V244 PolarHBondContact OG-O 3.12Å; S217-M245 PolarHBondContact N-O 2.94Å; S217-M245 PolarHBondContact OG-O 2.85Å; S217-N246 VanDerWaalsContact OG-CA 3.3Å; S217-N246 WeakPolarHBondContact OG-CA 3.1Å; S217-N246 PolarHBondContact OG-N 3.3Å; S217-N246 VanDerWaalsContact OG-N 3.11Å |
| 218 | N | 96.9 | Very high | 97.8 | Very high | 35 Ų | 35 | 31.8 Ų | 31.8 | 19% | 0.187 | 14% | 0.135 | C | C | . | . | G | 310 helix | trans | -72.5 | -11.5 | 175.8 | 81.7 | -63.6 | 0 | 0 | 0 | 114.5 | N37 S216 N246 L249 | N37-N218 PolarHBondContact O-N 2.77Å; S216-N218 WeakPolarHBondContact CB-OD1 3.43Å; S216-N218 PolarHBondContact O-N 2.97Å; S216-N218 VanDerWaalsContact O-N 3.15Å; S216-N218 PolarHBondContact OG-OD1 2.72Å; N218-N246 WeakPolarHBondContact CB-OD1 3.23Å; N218-N246 PolarHBondContact OD1-OD1 2.87Å; N218-L249 PolarHBondContact ND2-O 3.45Å; N218-L249 PolarHBondContact OD1-N 3.35Å |
| 219 | L | 97.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 14% | 0.14 | C | C | . | . | G | 310 helix | trans | -99.1 | 1.7 | 169.9 | -58.4 | -173.7 | 0 | 0 | 0 | 112.3 | L58 N59 I60 S216 S217 L249 R251 H408 | L58-L219 HydrophobicContact CD1-CB 3.95Å; N59-L219 HydrophobicContact CB-CB 4.38Å; N59-L219 WeakPolarHBondContact CB-O 3.43Å; N59-L219 PolarHBondContact N-O 3.29Å; I60-L219 HydrophobicContact CD1-CD1 3.8Å; I60-L219 HydrophobicContact CG1-CD1 3.86Å; S216-L219 PolarHBondContact O-N 2.81Å; S217-L219 PolarHBondContact O-N 3.29Å; L219-L249 HydrophobicContact CD1-CB 3.89Å; L219-L249 HydrophobicContact CD1-CD1 3.74Å; L219-L249 HydrophobicContact CD1-CG 4.46Å; L219-L249 HydrophobicContact CD2-CB 4.45Å; L219-L249 HydrophobicContact CG-CB 4.21Å; L219-R251 HydrophobicContact CD2-CB 4.23Å; L219-R251 HydrophobicContact CD2-CG 3.47Å; L219-R251 VanDerWaalsContact CD2-CG 3.47Å; L219-H408 PolarHBondContact O-CE1 2.89Å |
| 220 | M | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 149.1 | -176.2 | -65.4 | 174.8 | 179.1 | 0 | 0 | 112.3 | M39 K40 L56 D57 L58 F135 Y215 S216 S217 V244 | M39-M220 HydrophobicContact CE-CB 3.99Å; M39-M220 HydrophobicContact CE-SD 3.86Å; M39-M220 HydrophobicContact CG-CB 4.18Å; K40-M220 PolarHBondContact N-O 2.8Å; L56-M220 HydrophobicContact CD1-SD 4.14Å; L56-M220 HydrophobicContact CD2-CB 4.11Å; L56-M220 HydrophobicContact CD2-CG 3.87Å; L56-M220 HydrophobicContact CD2-SD 4.04Å; L56-M220 HydrophobicContact CG-CB 4.43Å; D57-M220 WeakPolarHBondContact O-CA 3.44Å; L58-M220 HydrophobicContact CD1-CE 3.96Å; L58-M220 HydrophobicContact CD1-CG 3.76Å; F135-M220 HydrophobicContact CB-CE 4.09Å; F135-M220 HydrophobicContact CB-SD 4.37Å; F135-M220 HydrophobicContact CD1-CE 4.11Å; F135-M220 HydrophobicContact CG-CE 4.43Å; Y215-M220 HydrophobicContact CD1-CE 4Å; Y215-M220 HydrophobicContact CG-CE 4.27Å; S216-M220 WeakPolarHBondContact O-CG 3.39Å; S217-M220 WeakPolarHBondContact O-CB 3.19Å; S217-M220 PolarHBondContact O-N 2.74Å; M220-V244 HydrophobicContact CE-CG1 4.21Å; M220-V244 HydrophobicContact SD-CG1 3.76Å |
| 221 | S | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 139.1 | 167.6 | 61.3 | 0 | 0 | 0 | 0 | 110 | K40 L56 D57 A404 H408 | K40-S221 CarbonylContact O-C 3.56Å; K40-S221 VanDerWaalsContact O-CA 3.26Å; K40-S221 WeakPolarHBondContact O-CA 3.28Å; L56-S221 CarbonylContact C-O 3.45Å; L56-S221 VanDerWaalsContact CA-O 3.31Å; L56-S221 WeakPolarHBondContact CA-O 3.29Å; D57-S221 PolarHBondContact N-O 3.37Å; D57-S221 PolarHBondContact O-N 3.43Å; S221-A404 PolarHBondContact OG-O 2.72Å; S221-H408 PolarHBondContact OG-CE1 2.72Å; S221-H408 PolarHBondContact OG-NE2 2.89Å |
| 222 | L | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 124.9 | -172.7 | 171.7 | 73.1 | 0 | 0 | 0 | 109.9 | M39 K40 V41 L42 S55 L56 F131 V224 F241 M407 | M39-L222 HydrophobicContact SD-CB 4.01Å; M39-L222 HydrophobicContact SD-CD2 4.37Å; K40-L222 PolarHBondContact O-N 3.41Å; V41-L222 CarbonylContact C-O 3.52Å; V41-L222 WeakPolarHBondContact CA-O 3.31Å; V41-L222 HydrophobicContact CG1-CB 4.23Å; V41-L222 HydrophobicContact CG1-CD2 3.97Å; V41-L222 HydrophobicContact CG1-CG 4.14Å; V41-L222 WeakPolarHBondContact CG1-O 3.4Å; V41-L222 HydrophobicContact CG2-CB 4.26Å; V41-L222 HydrophobicContact CG2-CD2 4.3Å; L42-L222 PolarHBondContact N-O 3.36Å; S55-L222 CarbonylContact O-C 3.54Å; S55-L222 WeakPolarHBondContact O-CA 3.41Å; L56-L222 HydrophobicContact CB-CD1 4.1Å; L56-L222 HydrophobicContact CD1-CD1 4.49Å; F131-L222 HydrophobicContact CE1-CD1 4.44Å; L222-V224 HydrophobicContact CD1-CG2 4.01Å; L222-V224 HydrophobicContact CD2-CG2 4Å; L222-V224 HydrophobicContact CG-CG2 3.83Å; L222-F241 HydrophobicContact CD1-CE1 4.13Å; L222-F241 HydrophobicContact CD1-CE2 4.36Å; L222-F241 HydrophobicContact CD1-CZ 3.92Å; L222-F241 HydrophobicContact CD2-CB 4.46Å; L222-F241 HydrophobicContact CD2-CD1 4.02Å; L222-F241 HydrophobicContact CD2-CD2 3.48Å; L222-F241 VanDerWaalsContact CD2-CD2 3.48Å; L222-F241 HydrophobicContact CD2-CE1 4.09Å; L222-F241 HydrophobicContact CD2-CE2 3.58Å; L222-F241 HydrophobicContact CD2-CG 3.72Å; L222-F241 HydrophobicContact CD2-CZ 3.88Å; L222-M407 WeakPolarHBondContact O-CE 3.09Å |
| 223 | C | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 129.9 | 169.2 | -168.9 | 0 | 0 | 0 | 0 | 109.8 | L42 A54 S55 T400 L403 A404 M407 | L42-C223 WeakPolarHBondContact O-CA 3.21Å; A54-C223 CarbonylContact C-O 3.59Å; A54-C223 WeakPolarHBondContact CA-O 3.34Å; S55-C223 PolarHBondContact N-O 2.85Å; S55-C223 PolarHBondContact O-N 3.43Å; C223-T400 HydrophobicContact CB-CG2 4.31Å; C223-T400 WeakPolarHBondContact CB-O 3.43Å; C223-L403 HydrophobicContact CB-CB 4.33Å; C223-A404 HydrophobicContact CB-CB 4.33Å; C223-M407 HydrophobicContact CB-CE 4.37Å |
| 224 | V | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 129.2 | 178.7 | -175.9 | 0 | 0 | 0 | 0 | 109.9 | L42 L43 V44 A54 L124 L128 L222 L233 I237 | L42-V224 PolarHBondContact O-N 2.89Å; L43-V224 HydrophobicContact CD2-CB 4.27Å; V44-V224 PolarHBondContact N-O 3.34Å; A54-V224 HydrophobicContact CB-CG2 4.08Å; L124-V224 HydrophobicContact CD1-CG1 4.33Å; L124-V224 HydrophobicContact CD2-CG1 4.05Å; L128-V224 HydrophobicContact CD1-CG1 4.14Å; L128-V224 HydrophobicContact CD2-CG2 4.38Å; L222-V224 HydrophobicContact CD1-CG2 4.01Å; L222-V224 HydrophobicContact CD2-CG2 4Å; L222-V224 HydrophobicContact CG-CG2 3.83Å; V224-L233 HydrophobicContact CG1-CD2 4.28Å; V224-I237 HydrophobicContact CG1-CG2 4.46Å; V224-I237 HydrophobicContact CG2-CG2 4.11Å |
| 225 | L | 98.8 | Very high | 97.8 | Very high | 1 Ų | 1 | 24.7 Ų | 24.7 | 1% | 0.005 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 124.6 | 174.1 | -172 | 154.2 | 0 | 0 | 0 | 110.6 | V44 D46 T49 A52 A53 P396 L399 T400 | V44-L225 HydrophobicContact CB-CB 4.06Å; V44-L225 HydrophobicContact CB-CD1 4.12Å; V44-L225 HydrophobicContact CB-CG 3.98Å; V44-L225 HydrophobicContact CG1-CD1 3.81Å; V44-L225 HydrophobicContact CG1-CG 4.06Å; V44-L225 VanDerWaalsContact O-CA 3.28Å; V44-L225 WeakPolarHBondContact O-CA 3.49Å; D46-L225 HydrophobicContact CB-CD2 4.27Å; T49-L225 HydrophobicContact CG2-CD2 3.77Å; A52-L225 CarbonylContact C-O 3.57Å; A52-L225 VanDerWaalsContact CA-O 3.24Å; A52-L225 WeakPolarHBondContact CA-O 3.45Å; A52-L225 VanDerWaalsContact CB-O 3.26Å; A52-L225 WeakPolarHBondContact CB-O 3.47Å; A53-L225 PolarHBondContact N-O 2.86Å; A53-L225 PolarHBondContact O-N 3.23Å; L225-P396 HydrophobicContact CD1-CB 4.35Å; L225-P396 HydrophobicContact CD2-CB 4.11Å; L225-P396 HydrophobicContact CD2-CG 4.25Å; L225-L399 HydrophobicContact CD1-CD2 3.8Å; L225-T400 HydrophobicContact CB-CG2 3.85Å |
| 226 | G | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 179.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | V44 D46 E228 | V44-G226 PolarHBondContact O-N 2.91Å; D46-G226 PolarHBondContact N-O 3.26Å; G226-E228 WeakPolarHBondContact CA-OE2 3.22Å |
| 227 | R | 97.2 | Very high | 97.3 | Very high | 117 Ų | 117 | 26.6 Ų | 26.6 | 44% | 0.442 | 14% | 0.141 | S | C | . | . | S | Bend | trans | -83.5 | -28.3 | 169.3 | -77.9 | -174.1 | 177.9 | -165.6 | -7.8 | 112.3 | T49 | T49-R227 HydrophobicContact CG2-CG 3.95Å; T49-R227 VanDerWaalsContact O-CZ 3.23Å; T49-R227 PolarHBondContact O-NE 3.48Å; T49-R227 PolarHBondContact O-NH2 3.08Å |
| 228 | E | 98 | Very high | 97 | Very high | 40 Ų | 40 | 26.7 Ų | 26.7 | 19% | 0.187 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -53.7 | 149.2 | 179.4 | -60.7 | 91.6 | 148.6 | 0 | 0 | 110.5 | S45 M125 G226 E232 L233 | S45-E228 VanDerWaalsContact CB-O 3.29Å; S45-E228 WeakPolarHBondContact CB-O 3.38Å; S45-E228 PolarHBondContact OG-O 3.48Å; M125-E228 HydrophobicContact CE-CG 4.38Å; M125-E228 VanDerWaalsContact CE-OE1 3.26Å; M125-E228 WeakPolarHBondContact CE-OE1 3.45Å; G226-E228 WeakPolarHBondContact CA-OE2 3.22Å; E228-E232 HydrophobicContact CB-CB 3.96Å; E228-L233 HydrophobicContact CB-CD2 3.88Å; E228-L233 HydrophobicContact CB-CG 3.91Å |
| 229 | S | 98.2 | Very high | 96.8 | Very high | 47 Ų | 47 | 28.2 Ų | 28.2 | 33% | 0.329 | 15% | 0.154 | S | C | . | . | trans | -62.8 | 160.7 | 173.3 | 64.2 | 0 | 0 | 0 | 0 | 111.1 | D231 E232 L233 | S229-D231 PolarHBondContact O-N 3.47Å; S229-E232 VanDerWaalsContact CB-OE2 3.26Å; S229-E232 WeakPolarHBondContact CB-OE2 3.44Å; S229-E232 PolarHBondContact N-OE2 3.4Å; S229-E232 PolarHBondContact O-N 2.81Å; S229-E232 WeakPolarHBondContact OG-CB 3.26Å; S229-E232 VanDerWaalsContact OG-CD 3.26Å; S229-E232 VanDerWaalsContact OG-CG 3.27Å; S229-E232 WeakPolarHBondContact OG-CG 3.33Å; S229-E232 PolarHBondContact OG-N 2.93Å; S229-E232 PolarHBondContact OG-OE2 3.1Å; S229-L233 WeakPolarHBondContact O-CG 3.48Å; S229-L233 PolarHBondContact O-N 3.28Å | ||
| 230 | L | 98.2 | Very high | 96.7 | Very high | 22 Ų | 22 | 30.1 Ų | 30.1 | 12% | 0.115 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -58.3 | -32.9 | 178 | -65.6 | 171.7 | 0 | 0 | 0 | 112.3 | L29 R31 L43 E234 | L29-L230 HydrophobicContact CB-CD1 3.86Å; L29-L230 HydrophobicContact CB-CG 4.27Å; R31-L230 HydrophobicContact CB-CB 4.47Å; R31-L230 HydrophobicContact CB-CD1 4.14Å; R31-L230 HydrophobicContact CB-CD2 4.06Å; R31-L230 HydrophobicContact CB-CG 4.45Å; L43-L230 HydrophobicContact CB-CD2 3.98Å; L230-E234 VanDerWaalsContact O-CB 3.29Å; L230-E234 WeakPolarHBondContact O-CB 3.46Å; L230-E234 PolarHBondContact O-N 3.08Å |
| 231 | D | 97 | Very high | 96.5 | Very high | 102 Ų | 102 | 30.1 Ų | 30.1 | 55% | 0.545 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -74.1 | -38.7 | 178.3 | -58.9 | -29.8 | 0 | 0 | 0 | 112 | R31 S229 E234 A235 | R31-D231 IonicContact CZ-OD1 2.72Å; R31-D231 VanDerWaalsContact CZ-OD1 3.23Å; R31-D231 IonicContact NH1-OD1 2.68Å; R31-D231 PolarHBondContact NH1-OD1 3.14Å; R31-D231 IonicContact NH2-OD1 3.13Å; R31-D231 PolarHBondContact NH2-OD1 3.09Å; S229-D231 PolarHBondContact O-N 3.47Å; D231-E234 PolarHBondContact O-N 3.3Å; D231-A235 VanDerWaalsContact O-CB 3.26Å; D231-A235 WeakPolarHBondContact O-CB 3.42Å; D231-A235 PolarHBondContact O-N 3.29Å |
| 232 | E | 96.8 | Very high | 96.2 | Very high | 106 Ų | 106 | 30.9 Ų | 30.9 | 50% | 0.495 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -67.7 | -41.5 | 173.6 | -73.2 | 163.7 | 133.5 | 0 | 0 | 111.8 | E228 S229 A235 S236 | E228-E232 HydrophobicContact CB-CB 3.96Å; S229-E232 VanDerWaalsContact CB-OE2 3.26Å; S229-E232 WeakPolarHBondContact CB-OE2 3.44Å; S229-E232 PolarHBondContact N-OE2 3.4Å; S229-E232 PolarHBondContact O-N 2.81Å; S229-E232 WeakPolarHBondContact OG-CB 3.26Å; S229-E232 VanDerWaalsContact OG-CD 3.26Å; S229-E232 VanDerWaalsContact OG-CG 3.27Å; S229-E232 WeakPolarHBondContact OG-CG 3.33Å; S229-E232 PolarHBondContact OG-N 2.93Å; S229-E232 PolarHBondContact OG-OE2 3.1Å; E232-A235 PolarHBondContact O-N 3Å; E232-S236 WeakPolarHBondContact O-CB 3.39Å; E232-S236 PolarHBondContact O-N 2.74Å; E232-S236 PolarHBondContact O-OG 2.86Å |
| 233 | L | 97.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61 | -47.5 | 173.2 | -71.8 | 177.1 | 0 | 0 | 0 | 110.7 | L43 L124 M125 V224 E228 S229 A235 S236 I237 | L43-L233 HydrophobicContact CB-CD1 4.35Å; L43-L233 HydrophobicContact CD1-CB 3.97Å; L43-L233 HydrophobicContact CD2-CB 4.34Å; L124-L233 HydrophobicContact CD2-CD2 3.92Å; M125-L233 HydrophobicContact CE-CD2 4.19Å; V224-L233 HydrophobicContact CG1-CD2 4.28Å; E228-L233 HydrophobicContact CB-CD2 3.88Å; E228-L233 HydrophobicContact CB-CG 3.91Å; S229-L233 WeakPolarHBondContact O-CG 3.48Å; S229-L233 PolarHBondContact O-N 3.28Å; L233-A235 PolarHBondContact O-N 2.88Å; L233-S236 PolarHBondContact O-N 3.38Å; L233-I237 WeakPolarHBondContact O-CG1 3.39Å; L233-I237 WeakPolarHBondContact O-CG2 3.35Å; L233-I237 PolarHBondContact O-N 3.18Å |
| 234 | E | 96.7 | Very high | 95.6 | Very high | 5 Ų | 5 | 35.7 Ų | 35.7 | 2% | 0.023 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.1 | -44.4 | 177.5 | -174.3 | 177.6 | 149.3 | 0 | 0 | 112 | I9 R16 R31 L33 L43 L230 D231 S236 T238 | I9-E234 HydrophobicContact CG2-CG 3.91Å; I9-E234 VanDerWaalsContact CG2-OE1 3.26Å; I9-E234 WeakPolarHBondContact CG2-OE1 3.44Å; R16-E234 IonicContact CZ-OE1 2.72Å; R16-E234 IonicContact NE-OE1 3.45Å; R16-E234 PolarHBondContact NE-OE1 3.49Å; R16-E234 IonicContact NE-OE2 3.84Å; R16-E234 PolarHBondContact NE-OE2 3.21Å; R16-E234 IonicContact NH2-OE1 2.98Å; R16-E234 PolarHBondContact NH2-OE1 3.27Å; R31-E234 VanDerWaalsContact CD-OE2 3.29Å; R31-E234 WeakPolarHBondContact CD-OE2 3.33Å; R31-E234 IonicContact CZ-OE2 2.77Å; R31-E234 IonicContact NE-OE2 2.65Å; R31-E234 IonicContact NH1-OE2 2.8Å; R31-E234 PolarHBondContact NH1-OE2 3Å; L33-E234 HydrophobicContact CD1-CB 4.43Å; L33-E234 HydrophobicContact CD1-CG 3.88Å; L33-E234 HydrophobicContact CD2-CG 4.45Å; L43-E234 HydrophobicContact CD1-CB 3.79Å; L230-E234 VanDerWaalsContact O-CB 3.29Å; L230-E234 WeakPolarHBondContact O-CB 3.46Å; L230-E234 PolarHBondContact O-N 3.08Å; D231-E234 PolarHBondContact O-N 3.3Å; E234-S236 VanDerWaalsContact C-N 3.32Å; E234-S236 PolarHBondContact O-N 3.03Å; E234-T238 HydrophobicContact CG-CG2 3.98Å; E234-T238 WeakPolarHBondContact O-CB 3.06Å; E234-T238 WeakPolarHBondContact O-CG2 3.44Å; E234-T238 PolarHBondContact O-N 3.42Å; E234-T238 VanDerWaalsContact O-N 3.11Å; E234-T238 PolarHBondContact O-OG1 2.96Å |
| 235 | A | 94.8 | Very high | 95.5 | Very high | 40 Ų | 40 | 41.9 Ų | 41.9 | 33% | 0.331 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -61.9 | -37 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | I9 D231 E232 L233 P239 | I9-A235 HydrophobicContact CD1-CB 3.6Å; D231-A235 VanDerWaalsContact O-CB 3.26Å; D231-A235 WeakPolarHBondContact O-CB 3.42Å; D231-A235 PolarHBondContact O-N 3.29Å; E232-A235 PolarHBondContact O-N 3Å; L233-A235 PolarHBondContact O-N 2.88Å; A235-P239 WeakPolarHBondContact O-CD 3.18Å |
| 236 | S | 92.1 | Very high | 95.4 | Very high | 44 Ų | 44 | 44.4 Ų | 44.4 | 31% | 0.308 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -80.7 | -40.3 | 179.5 | -68.3 | 0 | 0 | 0 | 0 | 114.1 | M125 E232 L233 E234 P239 L240 | M125-S236 WeakPolarHBondContact SD-CB 3.32Å; E232-S236 WeakPolarHBondContact O-CB 3.39Å; E232-S236 PolarHBondContact O-N 2.74Å; E232-S236 PolarHBondContact O-OG 2.86Å; L233-S236 PolarHBondContact O-N 3.38Å; E234-S236 VanDerWaalsContact C-N 3.32Å; E234-S236 PolarHBondContact O-N 3.03Å; S236-P239 WeakPolarHBondContact O-CD 3.36Å; S236-L240 WeakPolarHBondContact O-CG 3.49Å |
| 237 | I | 93.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -79.4 | -32.3 | -175.7 | 66.7 | 96.8 | 0 | 0 | 0 | 112.8 | L33 V41 L43 L128 V224 L233 L240 F241 | L33-I237 HydrophobicContact CD1-CD1 4.15Å; V41-I237 HydrophobicContact CB-CD1 4.48Å; V41-I237 HydrophobicContact CG1-CD1 3.95Å; V41-I237 HydrophobicContact CG2-CD1 4.29Å; L43-I237 HydrophobicContact CD2-CD1 4.33Å; L43-I237 HydrophobicContact CD2-CG1 3.97Å; L128-I237 HydrophobicContact CD1-CG2 4.15Å; V224-I237 HydrophobicContact CG1-CG2 4.46Å; V224-I237 HydrophobicContact CG2-CG2 4.11Å; L233-I237 WeakPolarHBondContact O-CG1 3.39Å; L233-I237 WeakPolarHBondContact O-CG2 3.35Å; L233-I237 PolarHBondContact O-N 3.18Å; I237-L240 PolarHBondContact O-N 3.22Å; I237-F241 HydrophobicContact CB-CD2 4.35Å; I237-F241 PolarHBondContact O-N 3.18Å |
| 238 | T | 93 | Very high | 95.3 | Very high | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.006 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.8 | -38.2 | -172.9 | 49.1 | 0 | 0 | 0 | 0 | 113.4 | I9 V13 L35 E234 G242 | I9-T238 HydrophobicContact CG2-CG2 4.37Å; V13-T238 HydrophobicContact CG2-CG2 3.67Å; L35-T238 HydrophobicContact CD2-CG2 3.85Å; E234-T238 HydrophobicContact CG-CG2 3.98Å; E234-T238 WeakPolarHBondContact O-CB 3.06Å; E234-T238 WeakPolarHBondContact O-CG2 3.44Å; E234-T238 PolarHBondContact O-N 3.42Å; E234-T238 VanDerWaalsContact O-N 3.11Å; E234-T238 PolarHBondContact O-OG1 2.96Å; T238-G242 VanDerWaalsContact O-CA 3.29Å; T238-G242 WeakPolarHBondContact O-CA 3.42Å; T238-G242 PolarHBondContact O-N 3.39Å |
| 239 | P | 92.1 | Very high | 95.2 | Very high | 68 Ų | 68 | 49.3 Ų | 49.3 | 44% | 0.442 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -70.6 | -40.7 | 172.5 | -18.3 | 33.7 | 0 | 0 | 0 | 112.9 | A235 S236 F241 | A235-P239 WeakPolarHBondContact O-CD 3.18Å; S236-P239 WeakPolarHBondContact O-CD 3.36Å; P239-F241 PolarHBondContact O-N 3.16Å |
| 240 | L | 94.7 | Very high | 94.9 | Very high | 40 Ų | 40 | 55.6 Ų | 55.6 | 21% | 0.209 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.5 | -42.2 | -176.1 | -68.8 | 177.6 | 0 | 0 | 0 | 112.7 | L128 D129 A132 S236 I237 | L128-L240 HydrophobicContact CB-CD1 3.86Å; D129-L240 HydrophobicContact CB-CD2 4.46Å; D129-L240 WeakPolarHBondContact OD1-CD2 3.25Å; A132-L240 HydrophobicContact CB-CB 4.14Å; S236-L240 WeakPolarHBondContact O-CG 3.49Å; I237-L240 PolarHBondContact O-N 3.22Å |
| 241 | F | 96.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -102.3 | -9.8 | -177.7 | -64.9 | -86.9 | 0 | 0 | 0 | 113.8 | L35 N37 M39 L56 L128 F131 A132 F135 L222 I237 P239 D243 V244 | L35-F241 HydrophobicContact CD1-CB 4.31Å; N37-F241 PolarHBondContact ND2-O 3.49Å; M39-F241 HydrophobicContact CE-CB 4.16Å; M39-F241 HydrophobicContact CE-CD1 4.2Å; M39-F241 HydrophobicContact SD-CB 3.92Å; M39-F241 HydrophobicContact SD-CD1 4.26Å; M39-F241 HydrophobicContact SD-CG 4.33Å; L56-F241 HydrophobicContact CD1-CD1 4.14Å; L56-F241 HydrophobicContact CD1-CE1 3.96Å; L128-F241 HydrophobicContact CD2-CE2 4.21Å; L128-F241 HydrophobicContact CD2-CZ 4.31Å; F131-F241 HydrophobicContact CD1-CE1 4.44Å; F131-F241 HydrophobicContact CD1-CZ 4.05Å; A132-F241 HydrophobicContact CB-CD1 4.19Å; A132-F241 HydrophobicContact CB-CE1 3.79Å; A132-F241 HydrophobicContact CB-CE2 4.17Å; A132-F241 HydrophobicContact CB-CZ 3.77Å; F135-F241 HydrophobicContact CD2-CE1 4.2Å; F135-F241 HydrophobicContact CE2-CE1 4.43Å; L222-F241 HydrophobicContact CD1-CE1 4.13Å; L222-F241 HydrophobicContact CD1-CE2 4.36Å; L222-F241 HydrophobicContact CD1-CZ 3.92Å; L222-F241 HydrophobicContact CD2-CB 4.46Å; L222-F241 HydrophobicContact CD2-CD1 4.02Å; L222-F241 HydrophobicContact CD2-CD2 3.48Å; L222-F241 VanDerWaalsContact CD2-CD2 3.48Å; L222-F241 HydrophobicContact CD2-CE1 4.09Å; L222-F241 HydrophobicContact CD2-CE2 3.58Å; L222-F241 HydrophobicContact CD2-CG 3.72Å; L222-F241 HydrophobicContact CD2-CZ 3.88Å; I237-F241 HydrophobicContact CB-CD2 4.35Å; I237-F241 PolarHBondContact O-N 3.18Å; P239-F241 PolarHBondContact O-N 3.16Å; F241-D243 VanDerWaalsContact C-N 3.26Å; F241-D243 PolarHBondContact O-N 3.19Å; F241-V244 HydrophobicContact CD1-CG2 4.47Å; F241-V244 WeakPolarHBondContact O-CB 3.42Å; F241-V244 WeakPolarHBondContact O-CG2 3.35Å; F241-V244 PolarHBondContact O-N 3.05Å |
| 242 | G | 92.4 | Very high | 94.4 | Very high | 15 Ų | 15 | 56.3 Ų | 56.3 | 16% | 0.155 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -66.1 | -25.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114 | N37 T238 | N37-G242 PolarHBondContact ND2-O 2.92Å; T238-G242 VanDerWaalsContact O-CA 3.29Å; T238-G242 WeakPolarHBondContact O-CA 3.42Å; T238-G242 PolarHBondContact O-N 3.39Å |
| 243 | D | 89.1 | Confident | 94.2 | Very high | 100 Ų | 100 | 54.2 Ų | 54.2 | 54% | 0.535 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -5.9 | 177.4 | -74.8 | -17.7 | 0 | 0 | 0 | 113.7 | R7 F241 M245 | R7-D243 IonicContact NH1-OD1 3.87Å; F241-D243 VanDerWaalsContact C-N 3.26Å; F241-D243 PolarHBondContact O-N 3.19Å; D243-M245 PolarHBondContact O-N 3.38Å |
| 244 | V | 95.6 | Very high | 94 | Very high | 2 Ų | 2 | 55.3 Ų | 55.3 | 1% | 0.012 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -65.2 | 118.9 | 172.5 | -177.9 | 0 | 0 | 0 | 0 | 109.3 | N37 M39 F135 I136 S217 M220 F241 N246 | N37-V244 PolarHBondContact ND2-O 3.36Å; M39-V244 HydrophobicContact CE-CB 4.13Å; M39-V244 HydrophobicContact CE-CG1 4.28Å; M39-V244 HydrophobicContact CE-CG2 4.15Å; F135-V244 HydrophobicContact CB-CG1 4.34Å; F135-V244 HydrophobicContact CB-CG2 4.13Å; I136-V244 HydrophobicContact CD1-CG2 4.19Å; I136-V244 HydrophobicContact CG1-CG2 3.82Å; S217-V244 WeakPolarHBondContact CB-O 3.47Å; S217-V244 PolarHBondContact OG-O 3.12Å; M220-V244 HydrophobicContact CE-CG1 4.21Å; M220-V244 HydrophobicContact SD-CG1 3.76Å; F241-V244 HydrophobicContact CD1-CG2 4.47Å; F241-V244 WeakPolarHBondContact O-CB 3.42Å; F241-V244 WeakPolarHBondContact O-CG2 3.35Å; F241-V244 PolarHBondContact O-N 3.05Å; V244-N246 PolarHBondContact O-N 3.32Å |
| 245 | M | 96.2 | Very high | 93.5 | Very high | 130 Ų | 130 | 59.1 Ų | 59.1 | 64% | 0.64 | 32% | 0.318 | S | S | * | . | trans | -65.8 | 125.2 | -170.1 | -174.3 | -178.7 | -66 | 0 | 0 | 112.6 | S217 D243 K247 | S217-M245 PolarHBondContact N-O 2.94Å; S217-M245 PolarHBondContact OG-O 2.85Å; D243-M245 PolarHBondContact O-N 3.38Å; M245-K247 HydrophobicContact CG-CG 4.13Å; M245-K247 PolarHBondContact O-N 3.05Å; M245-K247 HydrophobicContact SD-CG 4.2Å | ||
| 246 | N | 97 | Very high | 93.3 | Very high | 54 Ų | 54 | 61.9 Ų | 61.9 | 29% | 0.289 | 33% | 0.327 | S | S | . | . | trans | -83.7 | 108 | 169.2 | -174.4 | -2.9 | 0 | 0 | 0 | 109.4 | N37 S217 N218 V244 Q248 | N37-N246 HydrophobicContact CB-CB 4.1Å; N37-N246 VanDerWaalsContact O-CB 3.31Å; N37-N246 WeakPolarHBondContact O-CB 3.34Å; N37-N246 VanDerWaalsContact O-CG 3.25Å; N37-N246 PolarHBondContact O-ND2 3.4Å; N37-N246 VanDerWaalsContact O-ND2 3.17Å; S217-N246 VanDerWaalsContact OG-CA 3.3Å; S217-N246 WeakPolarHBondContact OG-CA 3.1Å; S217-N246 PolarHBondContact OG-N 3.3Å; S217-N246 VanDerWaalsContact OG-N 3.11Å; N218-N246 WeakPolarHBondContact CB-OD1 3.23Å; N218-N246 PolarHBondContact OD1-OD1 2.87Å; V244-N246 PolarHBondContact O-N 3.32Å; N246-Q248 VanDerWaalsContact C-N 3.3Å; N246-Q248 WeakPolarHBondContact OD1-CA 3.3Å; N246-Q248 PolarHBondContact OD1-N 2.85Å | ||
| 247 | K | 96.8 | Very high | 93.2 | Very high | 54 Ų | 54 | 62 Ų | 62 | 24% | 0.235 | 32% | 0.323 | C | S | . | . | trans | -90.8 | 3.6 | 178.6 | -57.4 | 161.2 | -171.9 | 165.9 | 0 | 112.1 | H211 R212 Q213 Y215 S216 M245 L249 | H211-K247 PolarHBondContact O-NZ 2.94Å; R212-K247 VanDerWaalsContact O-CD 3.27Å; R212-K247 WeakPolarHBondContact O-CD 2.98Å; R212-K247 WeakPolarHBondContact O-CE 3.45Å; R212-K247 PolarHBondContact O-NZ 3.3Å; Q213-K247 WeakPolarHBondContact O-CD 3.49Å; Y215-K247 WeakPolarHBondContact O-CE 3.28Å; Y215-K247 PolarHBondContact O-NZ 3.34Å; S216-K247 WeakPolarHBondContact OG-CB 3.3Å; S216-K247 PolarHBondContact OG-N 2.99Å; M245-K247 HydrophobicContact CG-CG 4.13Å; M245-K247 PolarHBondContact O-N 3.05Å; M245-K247 HydrophobicContact SD-CG 4.2Å; K247-L249 VanDerWaalsContact C-N 3.25Å; K247-L249 HydrophobicContact CB-CD2 4.47Å; K247-L249 HydrophobicContact CB-CG 4.15Å; K247-L249 PolarHBondContact O-N 3.4Å | ||
| 248 | Q | 95.4 | Very high | 93.2 | Very high | 159 Ų | 159 | 62.1 Ų | 62.1 | 74% | 0.743 | 32% | 0.323 | S | S | * | . | trans | 54.5 | 37.5 | 176.6 | -56.3 | -178.7 | 18 | 0 | 0 | 113.4 | N246 | N246-Q248 VanDerWaalsContact C-N 3.3Å; N246-Q248 WeakPolarHBondContact OD1-CA 3.3Å; N246-Q248 PolarHBondContact OD1-N 2.85Å | ||
| 249 | L | 96.1 | Very high | 93.4 | Very high | 47 Ų | 47 | 62.7 Ų | 62.7 | 25% | 0.246 | 33% | 0.325 | C | S | . | . | P | Polyproline II helix | trans | -72.4 | 138.4 | -179.7 | -62.3 | -176.9 | 0 | 0 | 0 | 111.2 | Q213 Y214 N218 L219 K247 | Q213-L249 WeakPolarHBondContact O-CD1 3.47Å; Y214-L249 HydrophobicContact CD1-CD1 4.42Å; N218-L249 PolarHBondContact ND2-O 3.45Å; N218-L249 PolarHBondContact OD1-N 3.35Å; L219-L249 HydrophobicContact CD1-CB 3.89Å; L219-L249 HydrophobicContact CD1-CD1 3.74Å; L219-L249 HydrophobicContact CD1-CG 4.46Å; L219-L249 HydrophobicContact CD2-CB 4.45Å; L219-L249 HydrophobicContact CG-CB 4.21Å; K247-L249 VanDerWaalsContact C-N 3.25Å; K247-L249 HydrophobicContact CB-CD2 4.47Å; K247-L249 HydrophobicContact CB-CG 4.15Å; K247-L249 PolarHBondContact O-N 3.4Å |
| 250 | E | 93.1 | Very high | 93.4 | Very high | 179 Ų | 179 | 61.1 Ų | 61.1 | 84% | 0.836 | 32% | 0.316 | S | S | * | . | P | Polyproline II helix | trans | -68.2 | 141.7 | 165.3 | -63.9 | -169.7 | 166.4 | 0 | 0 | 110.1 | F252 | E250-F252 PolarHBondContact O-N 3.48Š|
| 251 | R | 91 | Very high | 93.2 | Very high | 64 Ų | 64 | 64.2 Ų | 64.2 | 24% | 0.242 | 34% | 0.341 | C | S | . | . | P | Polyproline II helix | trans | -71.6 | 123.9 | 174.9 | -71.4 | 173.3 | 168.8 | -135.2 | -13.7 | 109.1 | L219 R334 H408 | L219-R251 HydrophobicContact CD2-CB 4.23Å; L219-R251 HydrophobicContact CD2-CG 3.47Å; L219-R251 VanDerWaalsContact CD2-CG 3.47Å; R251-R334 PolarHBondContact O-NH1 2.98Å; R251-H408 PolarHBondContact NH1-O 2.9Å; R251-H408 VanDerWaalsContact NH1-O 3.12Å; R251-H408 PolarHBondContact NH2-ND1 2.78Å |
| 252 | F | 93.2 | Very high | 93 | Very high | 74 Ų | 74 | 69.5 Ų | 69.5 | 33% | 0.325 | 37% | 0.369 | S | S | . | . | P | Polyproline II helix | trans | -55 | 148.5 | 175.5 | -70 | -92.5 | 0 | 0 | 0 | 111.9 | I60 N64 Y214 E250 W254 R334 | I60-F252 HydrophobicContact CD1-CD2 3.71Å; I60-F252 HydrophobicContact CD1-CE2 3.67Å; N64-F252 VanDerWaalsContact ND2-CD2 3.29Å; N64-F252 WeakPolarHBondContact ND2-CD2 3.41Å; N64-F252 WeakPolarHBondContact ND2-CE2 3.32Å; N64-F252 WeakPolarHBondContact ND2-CG 3.26Å; Y214-F252 HydrophobicContact CD1-CE2 4.34Å; Y214-F252 AromaticContact CE1-CE2 3.98Å; Y214-F252 HydrophobicContact CE1-CE2 3.98Å; Y214-F252 AromaticContact CE1-CZ 3.9Å; Y214-F252 HydrophobicContact CE1-CZ 3.9Å; E250-F252 PolarHBondContact O-N 3.48Å; F252-W254 HydrophobicContact CB-CH2 3.82Å; F252-W254 HydrophobicContact CB-CZ2 4.24Å; F252-W254 HydrophobicContact CB-CZ3 4.13Å; F252-R334 PolarHBondContact O-NH1 2.97Å |
| 253 | S | 92.4 | Very high | 93.2 | Very high | 63 Ų | 63 | 69.6 Ų | 69.6 | 44% | 0.441 | 37% | 0.366 | S | S | . | . | trans | -160.6 | 128.5 | 175.5 | -172.1 | 0 | 0 | 0 | 0 | 107.9 | R334 | S253-R334 WeakPolarHBondContact CA-O 3.44Š| ||
| 254 | W | 93.8 | Very high | 93.6 | Very high | 23 Ų | 23 | 66 Ų | 66 | 9% | 0.087 | 35% | 0.347 | C | S | . | . | trans | -100.5 | 94.8 | 179.1 | -63.9 | -94.1 | 0 | 0 | 0 | 108.1 | L63 D111 H179 D180 F252 D256 A333 R334 G335 F336 | L63-W254 HydrophobicContact CB-CH2 3.74Å; L63-W254 HydrophobicContact CB-CZ2 3.5Å; L63-W254 VanDerWaalsContact CB-CZ2 3.5Å; L63-W254 HydrophobicContact CD1-CD2 4.28Å; L63-W254 HydrophobicContact CD1-CE3 4.21Å; L63-W254 HydrophobicContact CD1-CH2 3.93Å; L63-W254 HydrophobicContact CD1-CZ2 3.98Å; L63-W254 HydrophobicContact CD1-CZ3 4.04Å; L63-W254 HydrophobicContact CG-CH2 4.47Å; L63-W254 HydrophobicContact CG-CZ2 4.41Å; D111-W254 HydrophobicContact CB-CH2 4.13Å; D111-W254 HydrophobicContact CB-CZ3 3.77Å; H179-W254 AromaticContact NE2-CD1 3.96Å; D180-W254 PolarHBondContact OD2-NE1 3.03Å; F252-W254 HydrophobicContact CB-CH2 3.82Å; F252-W254 HydrophobicContact CB-CZ2 4.24Å; F252-W254 HydrophobicContact CB-CZ3 4.13Å; W254-D256 VanDerWaalsContact C-N 3.3Å; W254-A333 HydrophobicContact CE3-CB 3.81Å; W254-A333 HydrophobicContact CZ3-CB 3.89Å; W254-R334 PolarHBondContact N-O 3.07Å; W254-G335 CarbonylContact O-C 3.56Å; W254-G335 VanDerWaalsContact O-C 3.29Å; W254-G335 WeakPolarHBondContact O-CA 3.2Å; W254-F336 HydrophobicContact CB-CD1 3.64Å; W254-F336 HydrophobicContact CB-CE1 3.66Å; W254-F336 HydrophobicContact CD2-CE1 4.41Å; W254-F336 HydrophobicContact CE3-CE1 4.47Å; W254-F336 HydrophobicContact CG-CE1 4.09Å | ||
| 255 | S | 85.9 | Confident | 93.7 | Very high | 85 Ų | 85 | 66 Ų | 66 | 59% | 0.594 | 35% | 0.347 | S | S | * | . | trans | -70.2 | -29.7 | 179.7 | 52 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 256 | D | 90 | Very high | 93.8 | Very high | 98 Ų | 98 | 59.8 Ų | 59.8 | 52% | 0.524 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -82.9 | 146.2 | -175 | -60.3 | -4 | 0 | 0 | 0 | 109.7 | H179 W254 | H179-D256 PolarHBondContact NE2-O 2.93Å; W254-D256 VanDerWaalsContact C-N 3.3Å |
| 257 | Q | 89.6 | Confident | 93.8 | Very high | 47 Ų | 47 | 59.1 Ų | 59.1 | 22% | 0.22 | 31% | 0.31 | C | S | . | . | trans | -75.2 | 142.1 | 178.9 | -69.6 | -69.9 | -52.6 | 0 | 0 | 110.8 | R176 Y259 I285 | R176-Q257 PolarHBondContact NE-O 2.99Å; R176-Q257 PolarHBondContact NH2-O 2.96Å; Q257-Y259 VanDerWaalsContact C-N 3.29Å; Q257-Y259 PolarHBondContact O-N 2.75Å; Q257-I285 PolarHBondContact NE2-O 3.24Å | ||
| 258 | P | 94.6 | Very high | 93.9 | Very high | 1 Ų | 1 | 56.5 Ų | 56.5 | 1% | 0.006 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -69.5 | -24.5 | -177.2 | 25.4 | -34 | 0 | 0 | 0 | 113.3 | A175 R176 Y181 F336 | A175-P258 CarbonylContact C-O 3.58Å; A175-P258 WeakPolarHBondContact CA-O 3.33Å; A175-P258 HydrophobicContact CB-CB 4.01Å; A175-P258 WeakPolarHBondContact CB-O 3.36Å; R176-P258 WeakPolarHBondContact CG-O 3.23Å; R176-P258 PolarHBondContact N-O 3.48Å; Y181-P258 HydrophobicContact CD1-CB 3.89Å; Y181-P258 HydrophobicContact CD1-CG 4.36Å; Y181-P258 HydrophobicContact CG-CB 4.33Å; P258-F336 HydrophobicContact CB-CE2 4.37Å; P258-F336 HydrophobicContact CG-CD2 3.73Å; P258-F336 HydrophobicContact CG-CE2 3.86Å |
| 259 | Y | 96.1 | Very high | 94 | Very high | 13 Ų | 13 | 49.2 Ų | 49.2 | 5% | 0.051 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -106.2 | 146.1 | -174.5 | -52.3 | -67.9 | 0 | 0 | 0 | 112.5 | E171 A175 Q257 I263 P284 L443 | E171-Y259 WeakPolarHBondContact CG-OH 3.22Å; E171-Y259 PolarHBondContact OE1-OH 3.11Å; A175-Y259 HydrophobicContact CB-CD1 4.48Å; A175-Y259 HydrophobicContact CB-CE1 4.33Å; Q257-Y259 VanDerWaalsContact C-N 3.29Å; Q257-Y259 PolarHBondContact O-N 2.75Å; Y259-I263 HydrophobicContact CD1-CG2 4.38Å; Y259-P284 HydrophobicContact CD2-CB 4.11Å; Y259-P284 HydrophobicContact CD2-CG 3.5Å; Y259-P284 VanDerWaalsContact CD2-CG 3.5Å; Y259-P284 HydrophobicContact CE2-CG 3.97Å; Y259-L443 HydrophobicContact CD1-CD1 3.81Å; Y259-L443 HydrophobicContact CD2-CD1 3.79Å; Y259-L443 HydrophobicContact CE1-CD1 3.75Å; Y259-L443 HydrophobicContact CE2-CD1 3.71Å; Y259-L443 HydrophobicContact CG-CD1 3.83Å |
| 260 | S | 92.8 | Very high | 94.2 | Very high | 36 Ų | 36 | 47.2 Ų | 47.2 | 25% | 0.252 | 25% | 0.254 | S | S | . | . | trans | -96.7 | 159.9 | 175.8 | 48.7 | 0 | 0 | 0 | 0 | 112.6 | D262 I263 L264 | S260-D262 WeakPolarHBondContact CB-OD1 3.45Å; S260-D262 PolarHBondContact O-N 2.91Å; S260-D262 VanDerWaalsContact O-N 3.16Å; S260-D262 PolarHBondContact OG-OD1 3.01Å; S260-I263 VanDerWaalsContact O-CG2 3.24Å; S260-I263 WeakPolarHBondContact O-CG2 3.33Å; S260-I263 PolarHBondContact O-N 3.21Å; S260-I263 VanDerWaalsContact O-N 3.12Å; S260-L264 WeakPolarHBondContact O-CG 3.47Å; S260-L264 PolarHBondContact O-N 3.44Å | ||
| 261 | S | 90.7 | Very high | 94.4 | Very high | 104 Ų | 104 | 39.2 Ų | 39.2 | 73% | 0.727 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -17.5 | -174.1 | 52.4 | 0 | 0 | 0 | 0 | 115.1 | K470 | S261-K470 PolarHBondContact O-NZ 3.32Å; S261-K470 VanDerWaalsContact O-NZ 3.1Å |
| 262 | D | 92.1 | Very high | 94.7 | Very high | 111 Ų | 111 | 36.2 Ų | 36.2 | 59% | 0.594 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -33.3 | 173.2 | 58.3 | -60.8 | 0 | 0 | 0 | 112.5 | S260 K470 | S260-D262 WeakPolarHBondContact CB-OD1 3.45Å; S260-D262 PolarHBondContact O-N 2.91Å; S260-D262 VanDerWaalsContact O-N 3.16Å; S260-D262 PolarHBondContact OG-OD1 3.01Å; D262-K470 PolarHBondContact O-NZ 3.04Å |
| 263 | I | 95.9 | Very high | 94.9 | Very high | 17 Ų | 17 | 34 Ų | 34 | 9% | 0.087 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -31.9 | 176.1 | -164.7 | 64.7 | 0 | 0 | 0 | 113 | L174 Y259 S260 S266 L443 V468 | L174-I263 HydrophobicContact CD2-CD1 4.23Å; Y259-I263 HydrophobicContact CD1-CG2 4.38Å; S260-I263 VanDerWaalsContact O-CG2 3.24Å; S260-I263 WeakPolarHBondContact O-CG2 3.33Å; S260-I263 PolarHBondContact O-N 3.21Å; S260-I263 VanDerWaalsContact O-N 3.12Å; I263-S266 WeakPolarHBondContact O-CB 3.45Å; I263-S266 PolarHBondContact O-N 2.97Å; I263-S266 PolarHBondContact O-OG 3.02Å; I263-L443 HydrophobicContact CG1-CD2 3.87Å; I263-L443 HydrophobicContact CG2-CD2 4.33Å; I263-L443 WeakPolarHBondContact O-CD2 3.18Å; I263-V468 HydrophobicContact CD1-CB 4.41Å; I263-V468 HydrophobicContact CD1-CG1 3.42Å; I263-V468 VanDerWaalsContact CD1-CG1 3.42Å; I263-V468 HydrophobicContact CD1-CG2 4.08Å |
| 264 | L | 97.2 | Very high | 95 | Very high | 25 Ų | 25 | 32.1 Ų | 32.1 | 13% | 0.131 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | 144.5 | 177.4 | -61 | 174.9 | 0 | 0 | 0 | 112.9 | S260 P284 E440 L443 K470 | S260-L264 WeakPolarHBondContact O-CG 3.47Å; S260-L264 PolarHBondContact O-N 3.44Å; L264-P284 HydrophobicContact CD2-CG 3.82Å; L264-E440 WeakPolarHBondContact CB-O 3.26Å; L264-L443 HydrophobicContact CD2-CD1 4.5Å; L264-L443 HydrophobicContact CD2-CD2 4.17Å; L264-L443 HydrophobicContact CD2-CG 4.08Å; L264-K470 PolarHBondContact O-NZ 3.44Å |
| 265 | G | 97.4 | Very high | 95 | Very high | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.01 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.5 | 31.6 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113 | E440 M442 L471 | G265-E440 PolarHBondContact N-O 3.42Å; G265-M442 WeakPolarHBondContact CA-O 3.29Å; G265-M442 PolarHBondContact N-O 3.5Å; G265-L471 WeakPolarHBondContact O-CB 3.38Å; G265-L471 PolarHBondContact O-N 3.43Å; G265-L471 VanDerWaalsContact O-N 3.13Å |
| 266 | S | 97.9 | Very high | 95.4 | Very high | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.007 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 156.2 | 178.8 | -46.8 | 0 | 0 | 0 | 0 | 112 | I263 L444 E469 K470 | I263-S266 WeakPolarHBondContact O-CB 3.45Å; I263-S266 PolarHBondContact O-N 2.97Å; I263-S266 PolarHBondContact O-OG 3.02Å; S266-L444 PolarHBondContact O-N 2.97Å; S266-E469 CarbonylContact C-O 3.6Å; S266-E469 WeakPolarHBondContact CA-O 3.39Å; S266-E469 WeakPolarHBondContact CB-O 3.5Å; S266-K470 VanDerWaalsContact OG-CD 3.29Å; S266-K470 WeakPolarHBondContact OG-CD 3.42Å |
| 267 | R | 98 | Very high | 95.7 | Very high | 39 Ų | 39 | 27.1 Ų | 27.1 | 15% | 0.147 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 135.5 | 170.3 | 179.1 | 175.6 | 169.1 | 166.7 | -4.1 | 109.7 | N269 L444 V446 V468 E469 L471 | R267-N269 VanDerWaalsContact CZ-OD1 3.31Å; R267-N269 PolarHBondContact NE-OD1 3.17Å; R267-N269 PolarHBondContact NH2-OD1 3.47Å; R267-L444 CarbonylContact C-O 3.51Å; R267-L444 VanDerWaalsContact CA-O 3.29Å; R267-L444 WeakPolarHBondContact CA-O 3.47Å; R267-L444 HydrophobicContact CB-CD2 4.26Å; R267-L444 HydrophobicContact CG-CD2 4.22Å; R267-L444 HydrophobicContact CG-CG 4.4Å; R267-V446 HydrophobicContact CG-CG2 4.22Å; R267-V468 WeakPolarHBondContact O-CA 3.5Å; R267-E469 HydrophobicContact CB-CB 4.47Å; R267-E469 PolarHBondContact N-O 3.31Å; R267-E469 PolarHBondContact O-N 3.05Å; R267-L471 HydrophobicContact CB-CD2 3.99Å; R267-L471 HydrophobicContact CB-CG 4.27Å |
| 268 | I | 98.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 102.5 | 177.8 | -55.5 | 87.6 | 0 | 0 | 0 | 107.1 | L170 L174 V270 L443 L444 F445 V446 Y466 A467 V468 | L170-I268 HydrophobicContact CD2-CG2 4.26Å; L174-I268 HydrophobicContact CD1-CG1 4.01Å; L174-I268 HydrophobicContact CD1-CG2 4.12Å; I268-V270 HydrophobicContact CG2-CG2 3.87Å; I268-L443 HydrophobicContact CD1-CB 4.23Å; I268-L443 HydrophobicContact CD1-CD2 4.26Å; I268-L444 PolarHBondContact N-O 3.42Å; I268-F445 HydrophobicContact CB-CD1 3.8Å; I268-F445 HydrophobicContact CB-CE1 4.05Å; I268-F445 HydrophobicContact CB-CG 4.25Å; I268-F445 HydrophobicContact CD1-CD2 4.36Å; I268-F445 HydrophobicContact CD1-CE1 4.49Å; I268-F445 HydrophobicContact CD1-CE2 4.21Å; I268-F445 HydrophobicContact CD1-CZ 4.29Å; I268-F445 HydrophobicContact CG1-CD1 4.42Å; I268-F445 HydrophobicContact CG1-CE1 4.24Å; I268-F445 HydrophobicContact CG1-CZ 4.44Å; I268-F445 HydrophobicContact CG2-CD1 3.84Å; I268-F445 HydrophobicContact CG2-CE1 3.91Å; I268-F445 CarbonylContact O-C 3.18Å; I268-F445 WeakPolarHBondContact O-CA 3.43Å; I268-V446 PolarHBondContact O-N 3.27Å; I268-Y466 HydrophobicContact CG2-CD2 4.15Å; I268-A467 CarbonylContact C-O 3.38Å; I268-A467 WeakPolarHBondContact CA-O 3.34Å; I268-V468 HydrophobicContact CG1-CG2 4.43Å |
| 269 | N | 98.5 | Very high | 96.3 | Very high | 6 Ų | 6 | 25.6 Ų | 25.6 | 3% | 0.032 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 123.9 | 176.5 | -72 | -41 | 0 | 0 | 0 | 108.8 | R267 F451 Y466 A467 E469 | R267-N269 VanDerWaalsContact CZ-OD1 3.31Å; R267-N269 PolarHBondContact NE-OD1 3.17Å; R267-N269 PolarHBondContact NH2-OD1 3.47Å; N269-F451 HydrophobicContact CB-CD1 3.93Å; N269-F451 HydrophobicContact CB-CD2 3.94Å; N269-F451 HydrophobicContact CB-CE1 4.08Å; N269-F451 HydrophobicContact CB-CE2 4.08Å; N269-F451 HydrophobicContact CB-CG 3.89Å; N269-F451 HydrophobicContact CB-CZ 4.17Å; N269-F451 WeakPolarHBondContact OD1-CE1 3.3Å; N269-F451 WeakPolarHBondContact OD1-CZ 3.26Å; N269-Y466 CarbonylContact O-C 3.58Å; N269-Y466 WeakPolarHBondContact O-CA 3.45Å; N269-Y466 WeakPolarHBondContact O-CB 3.48Å; N269-A467 PolarHBondContact N-O 3.01Å; N269-A467 PolarHBondContact O-N 3.44Å; N269-E469 PolarHBondContact ND2-OE1 3.38Å; N269-E469 PolarHBondContact ND2-OE2 2.74Å |
| 270 | V | 98.7 | Very high | 96.4 | Very high | 5 Ų | 5 | 26.1 Ų | 26.1 | 3% | 0.03 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 135.8 | -170.5 | -175.9 | 0 | 0 | 0 | 0 | 110.7 | L170 I268 P272 F445 V446 L447 S448 V464 | L170-V270 HydrophobicContact CD2-CB 4.47Å; L170-V270 HydrophobicContact CD2-CG1 4.05Å; L170-V270 HydrophobicContact CD2-CG2 3.54Å; I268-V270 HydrophobicContact CG2-CG2 3.87Å; V270-P272 VanDerWaalsContact O-CD 3.27Å; V270-P272 WeakPolarHBondContact O-CD 3.07Å; V270-F445 HydrophobicContact CG2-CD1 4.19Å; V270-V446 PolarHBondContact N-O 2.75Å; V270-L447 HydrophobicContact CB-CD1 4.26Å; V270-L447 HydrophobicContact CB-CG 4.02Å; V270-L447 HydrophobicContact CG1-CG 4.21Å; V270-L447 HydrophobicContact CG2-CD1 4.46Å; V270-L447 WeakPolarHBondContact O-CA 3.36Å; V270-S448 PolarHBondContact O-N 3.4Å; V270-V464 HydrophobicContact CG1-CG1 3.7Å |
| 271 | V | 98.6 | Very high | 96.7 | Very high | 10 Ų | 10 | 24.4 Ų | 24.4 | 6% | 0.061 | 13% | 0.134 | C | C | . | . | trans | -93.4 | 108.7 | 173.6 | -177.4 | 0 | 0 | 0 | 0 | 110.1 | K449 F451 E452 T455 D465 | V271-K449 HydrophobicContact CG1-CD 4.49Å; V271-F451 HydrophobicContact CG2-CB 3.9Å; V271-E452 HydrophobicContact CG1-CB 4.26Å; V271-T455 HydrophobicContact CG2-CG2 3.74Å; V271-D465 HydrophobicContact CB-CB 4.08Å; V271-D465 HydrophobicContact CG2-CB 4.14Å; V271-D465 PolarHBondContact N-O 3.38Å | ||
| 272 | P | 97.8 | Very high | 97 | Very high | 1 Ų | 1 | 20 Ų | 20 | 1% | 0.006 | 10% | 0.102 | C | C | . | . | trans | -74.2 | 163.9 | 175.2 | 32.2 | -35.9 | 0 | 0 | 0 | 111.9 | D163 V270 K274 L276 S448 K449 | D163-P272 VanDerWaalsContact OD1-CA 3.25Å; D163-P272 WeakPolarHBondContact OD1-CA 3.35Å; V270-P272 VanDerWaalsContact O-CD 3.27Å; V270-P272 WeakPolarHBondContact O-CD 3.07Å; P272-K274 WeakPolarHBondContact CB-O 3.4Å; P272-K274 VanDerWaalsContact CG-O 3.25Å; P272-K274 WeakPolarHBondContact CG-O 3.27Å; P272-L276 HydrophobicContact CB-CB 4.16Å; P272-L276 HydrophobicContact CB-CD1 4.16Å; P272-L276 HydrophobicContact CB-CG 4.32Å; P272-L276 HydrophobicContact CG-CB 4.11Å; P272-S448 VanDerWaalsContact CD-C 3.47Å; P272-K449 VanDerWaalsContact O-CE 3.24Å; P272-K449 WeakPolarHBondContact O-CE 3.43Å; P272-K449 PolarHBondContact O-NZ 2.91Å | ||
| 273 | I | 95.9 | Very high | 97.3 | Very high | 27 Ų | 27 | 14.8 Ų | 14.8 | 14% | 0.138 | 7% | 0.073 | C | C | . | . | S | Bend | trans | -76.9 | -54.3 | 169.9 | -61.2 | -62.3 | 0 | 0 | 0 | 109.5 | K161 D163 K449 V750 | K161-I273 HydrophobicContact CD-CD1 4.1Å; D163-I273 PolarHBondContact OD1-N 2.82Å; D163-I273 PolarHBondContact OD2-N 2.83Å; I273-K449 WeakPolarHBondContact O-CE 3.48Å; I273-K449 PolarHBondContact O-NZ 3.48Å; I273-V750 HydrophobicContact CG2-CG1 3.68Å |
| 274 | K | 95.2 | Very high | 97.4 | Very high | 25 Ų | 25 | 14.2 Ų | 14.2 | 11% | 0.109 | 7% | 0.071 | C | C | . | . | S | Bend | trans | -70.9 | 155.4 | 172.9 | -71 | 168.9 | 179.2 | 173.6 | 0 | 109.9 | E162 D163 P272 L276 N637 M640 E641 | E162-K274 IonicContact OE2-NZ 3.94Å; E162-K274 PolarHBondContact OE2-NZ 2.97Å; D163-K274 WeakPolarHBondContact OD2-CB 3.49Å; D163-K274 PolarHBondContact OD2-N 3.28Å; P272-K274 WeakPolarHBondContact CB-O 3.4Å; P272-K274 VanDerWaalsContact CG-O 3.25Å; P272-K274 WeakPolarHBondContact CG-O 3.27Å; K274-L276 VanDerWaalsContact C-N 3.29Å; K274-L276 HydrophobicContact CB-CD1 4.2Å; K274-L276 HydrophobicContact CB-CD2 3.99Å; K274-L276 HydrophobicContact CB-CG 3.78Å; K274-L276 PolarHBondContact O-N 2.84Å; K274-N637 HydrophobicContact CG-CB 4.49Å; K274-M640 HydrophobicContact CB-SD 4.39Å; K274-M640 HydrophobicContact CG-CB 3.9Å; K274-M640 HydrophobicContact CG-SD 4.2Å; K274-E641 WeakPolarHBondContact CE-OE1 3.41Å; K274-E641 IonicContact NZ-OE1 3.68Å; K274-E641 PolarHBondContact NZ-OE1 3.47Å; K274-E641 VanDerWaalsContact NZ-OE1 3.09Å; K274-E641 IonicContact NZ-OE2 3.42Å; K274-E641 PolarHBondContact NZ-OE2 3.07Å |
| 275 | D | 94.6 | Very high | 97.3 | Very high | 36 Ų | 36 | 13.2 Ų | 13.2 | 19% | 0.193 | 7% | 0.066 | C | C | . | . | trans | -74.8 | 89.2 | 170.2 | -172.7 | 7.8 | 0 | 0 | 0 | 108.5 | R633 N637 | D275-R633 HydrophobicContact CB-CG 3.77Å; D275-R633 WeakPolarHBondContact O-CD 3.37Å; D275-R633 WeakPolarHBondContact O-CG 3.21Å; D275-R633 PolarHBondContact O-NH1 3.14Å; D275-R633 WeakPolarHBondContact OD2-CD 3.26Å; D275-R633 WeakPolarHBondContact OD2-CG 3.36Å; D275-N637 VanDerWaalsContact CB-OD1 3.3Å; D275-N637 WeakPolarHBondContact CB-OD1 3.4Å; D275-N637 PolarHBondContact N-OD1 2.9Å; D275-N637 PolarHBondContact O-ND2 3.47Å | ||
| 276 | L | 94.1 | Very high | 97.1 | Very high | 49 Ų | 49 | 17.7 Ų | 17.7 | 26% | 0.257 | 9% | 0.086 | S | C | . | . | trans | -115.9 | 145.2 | -178.3 | -56.9 | 179.7 | 0 | 0 | 0 | 109.2 | D163 P272 K274 S448 | D163-L276 HydrophobicContact CB-CD1 3.75Å; P272-L276 HydrophobicContact CB-CB 4.16Å; P272-L276 HydrophobicContact CB-CD1 4.16Å; P272-L276 HydrophobicContact CB-CG 4.32Å; P272-L276 HydrophobicContact CG-CB 4.11Å; K274-L276 VanDerWaalsContact C-N 3.29Å; K274-L276 HydrophobicContact CB-CD1 4.2Å; K274-L276 HydrophobicContact CB-CD2 3.99Å; K274-L276 HydrophobicContact CB-CG 3.78Å; K274-L276 PolarHBondContact O-N 2.84Å; L276-S448 WeakPolarHBondContact O-CA 3.44Å | ||
| 277 | R | 96.3 | Very high | 96.9 | Very high | 15 Ų | 15 | 19.2 Ų | 19.2 | 6% | 0.057 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 101.7 | 167.6 | -55.1 | -171.9 | -156 | 85.5 | 0.5 | 106.6 | L345 E347 L447 E629 R633 | R277-L345 HydrophobicContact CB-CB 3.98Å; R277-L345 PolarHBondContact O-N 3.36Å; R277-E347 IonicContact CZ-OE1 2.78Å; R277-E347 VanDerWaalsContact NH2-CG 3.28Å; R277-E347 IonicContact NH2-OE1 3.69Å; R277-E347 PolarHBondContact NH2-OE1 2.86Å; R277-L447 WeakPolarHBondContact CA-O 3.49Å; R277-E629 IonicContact CZ-OE1 3.92Å; R277-E629 VanDerWaalsContact CZ-OE1 3.28Å; R277-E629 IonicContact CZ-OE2 3.53Å; R277-E629 IonicContact NH1-OE1 2.69Å; R277-E629 PolarHBondContact NH1-OE1 2.97Å; R277-E629 IonicContact NH1-OE2 3.56Å; R277-E629 PolarHBondContact NH1-OE2 2.89Å; R277-E629 IonicContact NH2-OE1 2.62Å; R277-E629 PolarHBondContact NH2-OE1 2.88Å; R277-R633 VanDerWaalsContact NH1-CZ 3.27Å |
| 278 | S | 97.7 | Very high | 96.7 | Very high | 17 Ų | 17 | 18.8 Ų | 18.8 | 12% | 0.119 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 155.8 | 179.5 | 65.6 | 0 | 0 | 0 | 0 | 111.3 | H280 L343 V446 L447 | S278-H280 PolarHBondContact OG-NE2 2.68Å; S278-L343 CarbonylContact C-O 3.57Å; S278-L343 VanDerWaalsContact CA-O 3.29Å; S278-L343 WeakPolarHBondContact CA-O 3.21Å; S278-L343 WeakPolarHBondContact CB-O 3.47Å; S278-V446 WeakPolarHBondContact O-CA 3.4Å; S278-L447 PolarHBondContact N-O 3.25Å; S278-L447 PolarHBondContact O-N 3.46Å |
| 279 | M | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 133.1 | 178 | -172.9 | 171 | 81.8 | 0 | 0 | 109.2 | I281 L343 L345 V353 I356 V357 L444 F445 V446 | M279-I281 HydrophobicContact CE-CD1 4.14Å; M279-I281 HydrophobicContact CE-CG1 4.42Å; M279-L343 HydrophobicContact CB-CB 4.42Å; M279-L343 HydrophobicContact CB-CD1 4.42Å; M279-L343 HydrophobicContact CE-CD1 3.75Å; M279-L343 HydrophobicContact CE-CD2 4.26Å; M279-L343 HydrophobicContact CE-CG 4.5Å; M279-L343 PolarHBondContact N-O 2.9Å; M279-L343 PolarHBondContact O-N 3Å; M279-L345 HydrophobicContact CB-CD1 4.08Å; M279-L345 HydrophobicContact CB-CD2 4.11Å; M279-L345 HydrophobicContact CB-CG 4.18Å; M279-V353 HydrophobicContact SD-CB 4.44Å; M279-V353 HydrophobicContact SD-CG1 3.86Å; M279-V353 HydrophobicContact SD-CG2 4.37Å; M279-I356 HydrophobicContact CE-CB 3.93Å; M279-I356 HydrophobicContact CE-CG2 3.36Å; M279-V357 HydrophobicContact CE-CG2 3.79Å; M279-V357 HydrophobicContact SD-CG2 3.87Å; M279-L444 HydrophobicContact CG-CD1 3.56Å; M279-L444 HydrophobicContact SD-CD1 3.75Å; M279-F445 CarbonylContact C-O 3.53Å; M279-F445 VanDerWaalsContact CA-O 3.29Å; M279-F445 WeakPolarHBondContact CA-O 2.9Å; M279-V446 HydrophobicContact CG-CG2 4.38Å |
| 280 | H | 98.5 | Very high | 96.2 | Very high | 24 Ų | 24 | 23.4 Ų | 23.4 | 11% | 0.111 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 120.8 | -178.9 | -48.7 | -97.4 | 0 | 0 | 0 | 108.8 | S278 Y282 D342 L444 F445 | S278-H280 PolarHBondContact OG-NE2 2.68Å; H280-Y282 HydrophobicContact CB-CD1 4.25Å; H280-Y282 HydrophobicContact CB-CE1 3.55Å; H280-D342 IonicContact CE1-OD1 3.74Å; H280-D342 IonicContact CG-OD1 3.75Å; H280-D342 IonicContact ND1-OD1 2.64Å; H280-D342 PolarHBondContact ND1-OD1 3.32Å; H280-L444 CarbonylContact O-C 3.38Å; H280-L444 WeakPolarHBondContact O-CA 3.39Å; H280-F445 HydrophobicContact CB-CB 4.15Å; H280-F445 PolarHBondContact N-O 2.8Å; H280-F445 PolarHBondContact O-N 3.39Å |
| 281 | I | 98.6 | Very high | 96 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 110 | 177.7 | -45.4 | 178.9 | 0 | 0 | 0 | 107.4 | M279 F283 C340 V341 L343 V357 V360 M442 L444 | M279-I281 HydrophobicContact CE-CD1 4.14Å; M279-I281 HydrophobicContact CE-CG1 4.42Å; I281-F283 HydrophobicContact CG2-CD2 4.46Å; I281-F283 HydrophobicContact CG2-CE1 4.35Å; I281-F283 HydrophobicContact CG2-CE2 3.68Å; I281-F283 HydrophobicContact CG2-CZ 3.61Å; I281-C340 CarbonylContact O-C 3.5Å; I281-C340 WeakPolarHBondContact O-CA 3.45Å; I281-V341 HydrophobicContact CB-CB 4.3Å; I281-V341 PolarHBondContact N-O 3.38Å; I281-V341 PolarHBondContact O-N 3.01Å; I281-L343 HydrophobicContact CD1-CD1 4.45Å; I281-L343 HydrophobicContact CG1-CD1 4.41Å; I281-V357 HydrophobicContact CD1-CG2 3.99Å; I281-V360 HydrophobicContact CD1-CB 4.14Å; I281-V360 HydrophobicContact CD1-CG1 4.1Å; I281-V360 HydrophobicContact CD1-CG2 3.99Å; I281-M442 HydrophobicContact CG2-CB 4.09Å; I281-M442 HydrophobicContact CG2-SD 4.33Å; I281-L444 HydrophobicContact CG1-CD1 3.93Å |
| 282 | Y | 98.2 | Very high | 95.9 | Very high | 12 Ų | 12 | 27.8 Ų | 27.8 | 5% | 0.047 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 130.6 | 180 | -60.3 | -18.6 | 0 | 0 | 0 | 110.3 | E171 H280 S338 C340 M442 L443 F445 | E171-Y282 HydrophobicContact CG-CD2 4.43Å; E171-Y282 HydrophobicContact CG-CE2 4.26Å; E171-Y282 WeakPolarHBondContact OE1-CD2 3.38Å; H280-Y282 HydrophobicContact CB-CD1 4.25Å; H280-Y282 HydrophobicContact CB-CE1 3.55Å; Y282-S338 WeakPolarHBondContact CB-OG 3.26Å; Y282-C340 HydrophobicContact CD1-CB 3.92Å; Y282-C340 WeakPolarHBondContact CD1-SG 3.22Å; Y282-C340 HydrophobicContact CE1-CB 4.05Å; Y282-M442 CarbonylContact O-C 3.54Å; Y282-M442 WeakPolarHBondContact O-CA 3.21Å; Y282-L443 PolarHBondContact N-O 3.04Å; Y282-L443 PolarHBondContact O-N 3.4Å; Y282-F445 AromaticContact CD2-CD2 3.83Å; Y282-F445 HydrophobicContact CD2-CD2 3.83Å; Y282-F445 AromaticContact CD2-CE2 3.54Å; Y282-F445 HydrophobicContact CD2-CE2 3.54Å; Y282-F445 AromaticContact CE2-CD2 3.76Å; Y282-F445 HydrophobicContact CE2-CD2 3.76Å; Y282-F445 AromaticContact CE2-CE2 3.67Å; Y282-F445 HydrophobicContact CE2-CE2 3.67Å; Y282-F445 HydrophobicContact CE2-CZ 4.47Å |
| 283 | F | 97.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 111.5 | 172.6 | -59.3 | -80.5 | 0 | 0 | 0 | 109 | I281 I285 S338 F339 F361 I364 M437 M442 | I281-F283 HydrophobicContact CG2-CD2 4.46Å; I281-F283 HydrophobicContact CG2-CE1 4.35Å; I281-F283 HydrophobicContact CG2-CE2 3.68Å; I281-F283 HydrophobicContact CG2-CZ 3.61Å; F283-I285 PolarHBondContact O-N 3.45Å; F283-S338 CarbonylContact O-C 3.57Å; F283-S338 WeakPolarHBondContact O-CA 3.4Å; F283-F339 HydrophobicContact CB-CB 4.33Å; F283-F339 PolarHBondContact N-O 2.99Å; F283-F339 PolarHBondContact O-N 3.25Å; F283-F361 HydrophobicContact CE1-CE1 4.03Å; F283-F361 AromaticContact CE1-CZ 3.78Å; F283-F361 HydrophobicContact CE1-CZ 3.78Å; F283-F361 AromaticContact CZ-CE1 3.97Å; F283-F361 HydrophobicContact CZ-CE1 3.97Å; F283-F361 AromaticContact CZ-CZ 3.73Å; F283-F361 HydrophobicContact CZ-CZ 3.73Å; F283-I364 HydrophobicContact CE2-CD1 4.35Å; F283-I364 HydrophobicContact CZ-CD1 4.12Å; F283-M437 HydrophobicContact CD1-CB 4.46Å; F283-M437 HydrophobicContact CD2-CE 4.26Å; F283-M437 HydrophobicContact CD2-CG 4.31Å; F283-M437 HydrophobicContact CE2-CE 4.26Å; F283-M437 HydrophobicContact CG-CB 4.44Å; F283-M437 HydrophobicContact CG-CG 4.3Å; F283-M442 HydrophobicContact CD1-CB 4.1Å; F283-M442 HydrophobicContact CE1-CB 3.71Å; F283-M442 HydrophobicContact CZ-CB 4.37Å |
| 284 | P | 97 | Very high | 95.8 | Very high | 6 Ų | 6 | 29 Ų | 29 | 4% | 0.039 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 130 | 174.7 | -21.2 | 34.9 | 0 | 0 | 0 | 110.6 | Y259 L264 N441 | Y259-P284 HydrophobicContact CD2-CB 4.11Å; Y259-P284 HydrophobicContact CD2-CG 3.5Å; Y259-P284 VanDerWaalsContact CD2-CG 3.5Å; Y259-P284 HydrophobicContact CE2-CG 3.97Å; L264-P284 HydrophobicContact CD2-CG 3.82Å; P284-N441 WeakPolarHBondContact CD-O 3.26Å; P284-N441 PolarHBondContact O-ND2 3.24Å |
| 285 | I | 95.9 | Very high | 95.8 | Very high | 4 Ų | 4 | 30.3 Ų | 30.3 | 2% | 0.021 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 168.4 | -176.7 | 57 | 166 | 0 | 0 | 0 | 110.3 | Q257 F283 L288 S337 F339 L433 K436 | Q257-I285 PolarHBondContact NE2-O 3.24Å; F283-I285 PolarHBondContact O-N 3.45Å; I285-L288 HydrophobicContact CD1-CD1 3.94Å; I285-L288 HydrophobicContact CD1-CG 4.31Å; I285-S337 WeakPolarHBondContact CG1-O 3.39Å; I285-S337 PolarHBondContact N-O 2.63Å; I285-S337 PolarHBondContact O-N 3.48Å; I285-S337 VanDerWaalsContact O-O 3.06Å; I285-F339 HydrophobicContact CD1-CB 4.29Å; I285-L433 HydrophobicContact CB-CD1 4.49Å; I285-L433 HydrophobicContact CD1-CD1 4.05Å; I285-L433 HydrophobicContact CG2-CD1 3.74Å; I285-K436 HydrophobicContact CG2-CB 3.77Å; I285-K436 HydrophobicContact CG2-CG 4.25Å |
| 286 | H | 93.3 | Very high | 95.8 | Very high | 95 Ų | 95 | 28.8 Ų | 28.8 | 44% | 0.44 | 15% | 0.149 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 153.7 | 167.9 | -59.8 | -71.5 | 0 | 0 | 0 | 110 | L288 | H286-L288 PolarHBondContact O-N 3.12Å |
| 287 | D | 93.5 | Very high | 95.9 | Very high | 33 Ų | 33 | 26.5 Ų | 26.5 | 18% | 0.176 | 14% | 0.137 | C | C | . | . | trans | -56.6 | 123.7 | 169.3 | 175.2 | 3.6 | 0 | 0 | 0 | 110.8 | T289 G335 | D287-T289 WeakPolarHBondContact OD1-CB 3.36Å; D287-T289 PolarHBondContact OD1-N 2.89Å; D287-T289 PolarHBondContact OD1-OG1 3.33Å; D287-G335 VanDerWaalsContact CB-C 3.43Å; D287-G335 PolarHBondContact N-O 3.19Å; D287-G335 PolarHBondContact OD2-N 3.16Å | ||
| 288 | L | 93.9 | Very high | 95.8 | Very high | 30 Ų | 30 | 29.1 Ų | 29.1 | 16% | 0.157 | 15% | 0.15 | C | C | . | . | trans | -98.2 | 0.1 | -176.9 | -61.5 | 178.2 | 0 | 0 | 0 | 113.2 | I285 H286 S290 F291 P296 A297 L433 | I285-L288 HydrophobicContact CD1-CD1 3.94Å; I285-L288 HydrophobicContact CD1-CG 4.31Å; H286-L288 PolarHBondContact O-N 3.12Å; L288-S290 PolarHBondContact O-N 3.28Å; L288-F291 HydrophobicContact CD2-CD2 4.21Å; L288-F291 WeakPolarHBondContact O-CB 3.37Å; L288-F291 PolarHBondContact O-N 3.11Å; L288-P296 HydrophobicContact CD1-CG 4.44Å; L288-P296 HydrophobicContact CD2-CG 4.41Å; L288-A297 HydrophobicContact CD1-CB 3.88Å; L288-L433 HydrophobicContact CD1-CD2 4.3Å | ||
| 289 | T | 92.6 | Very high | 95.6 | Very high | 18 Ų | 18 | 28.6 Ų | 28.6 | 11% | 0.11 | 15% | 0.146 | C | C | . | . | G | 310 helix | trans | -60.3 | -32.8 | -169.7 | -52.9 | 0 | 0 | 0 | 0 | 112.9 | D287 F291 Y292 N331 H409 Y410 | D287-T289 WeakPolarHBondContact OD1-CB 3.36Å; D287-T289 PolarHBondContact OD1-N 2.89Å; D287-T289 PolarHBondContact OD1-OG1 3.33Å; T289-F291 PolarHBondContact O-N 3.44Å; T289-Y292 WeakPolarHBondContact O-CD1 3.46Å; T289-Y292 PolarHBondContact O-N 2.89Å; T289-N331 PolarHBondContact OG1-ND2 2.67Å; T289-H409 HydrophobicContact CG2-CB 3.68Å; T289-Y410 HydrophobicContact CG2-CE1 4.4Å |
| 290 | S | 93 | Very high | 95.5 | Very high | 85 Ų | 85 | 28.6 Ų | 28.6 | 59% | 0.594 | 15% | 0.146 | S | C | * | . | G | 310 helix | trans | -64.9 | -19.9 | 175.5 | 57 | 0 | 0 | 0 | 0 | 113.9 | L288 | L288-S290 PolarHBondContact O-N 3.28Š|
| 291 | F | 95.8 | Very high | 95.4 | Very high | 76 Ų | 76 | 28 Ų | 28 | 33% | 0.333 | 14% | 0.144 | S | C | . | . | G | 310 helix | trans | -96.3 | 15.8 | -179.1 | -57.2 | -62.2 | 0 | 0 | 0 | 113.8 | L288 T289 K293 S294 N295 P296 L429 | L288-F291 HydrophobicContact CD2-CD2 4.21Å; L288-F291 WeakPolarHBondContact O-CB 3.37Å; L288-F291 PolarHBondContact O-N 3.11Å; T289-F291 PolarHBondContact O-N 3.44Å; F291-K293 PolarHBondContact O-N 3.22Å; F291-S294 PolarHBondContact O-N 3.04Å; F291-S294 PolarHBondContact O-OG 2.84Å; F291-N295 PolarHBondContact O-N 3.36Å; F291-P296 HydrophobicContact CB-CG 4.13Å; F291-L429 HydrophobicContact CB-CD1 4.07Å; F291-L429 HydrophobicContact CD1-CD1 3.49Å; F291-L429 VanDerWaalsContact CD1-CD1 3.49Å; F291-L429 HydrophobicContact CD1-CD2 4.4Å; F291-L429 HydrophobicContact CD2-CD1 4.44Å; F291-L429 HydrophobicContact CE1-CD1 3.98Å; F291-L429 HydrophobicContact CE1-CD2 4.09Å; F291-L429 HydrophobicContact CG-CD1 3.76Å; F291-L429 HydrophobicContact CZ-CD2 4.15Å |
| 292 | Y | 95.5 | Very high | 95.2 | Very high | 31 Ų | 31 | 29 Ų | 29 | 12% | 0.122 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -45.7 | -40.5 | -175.1 | 67.8 | -84.4 | 0 | 0 | 0 | 114.4 | T289 S294 N295 Y410 P411 E414 A418 R421 | T289-Y292 WeakPolarHBondContact O-CD1 3.46Å; T289-Y292 PolarHBondContact O-N 2.89Å; Y292-S294 PolarHBondContact O-N 3.41Å; Y292-N295 PolarHBondContact O-N 2.88Å; Y292-N295 VanDerWaalsContact O-N 3.16Å; Y292-Y410 AromaticContact CD1-CD1 3.92Å; Y292-Y410 HydrophobicContact CD1-CD1 3.92Å; Y292-Y410 HydrophobicContact CD1-CE1 4.18Å; Y292-Y410 HydrophobicContact CD2-CD1 4.19Å; Y292-Y410 HydrophobicContact CD2-CE1 4.38Å; Y292-Y410 HydrophobicContact CE1-CD1 4.23Å; Y292-Y410 HydrophobicContact CE2-CD1 4.47Å; Y292-Y410 AromaticContact CG-CD1 3.9Å; Y292-Y410 HydrophobicContact CG-CD1 3.9Å; Y292-Y410 AromaticContact CG-CE1 3.88Å; Y292-Y410 HydrophobicContact CG-CE1 3.88Å; Y292-P411 VanDerWaalsContact OH-CD 3.32Å; Y292-P411 WeakPolarHBondContact OH-CD 3.37Å; Y292-E414 WeakPolarHBondContact CE2-OE2 2.95Å; Y292-E414 PolarHBondContact OH-OE2 3.31Å; Y292-A418 HydrophobicContact CD2-CB 3.6Å; Y292-A418 HydrophobicContact CE2-CB 3.63Å; Y292-A418 HydrophobicContact CG-CB 4.48Å; Y292-R421 VanDerWaalsContact O-O 3.06Å |
| 293 | K | 96.9 | Very high | 95 | Very high | 48 Ų | 48 | 29.2 Ų | 29.2 | 21% | 0.209 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57 | -24.7 | 178.1 | -56.1 | -167.9 | 173.4 | -163.9 | 0 | 114.8 | F291 E414 M422 D423 E424 | F291-K293 PolarHBondContact O-N 3.22Å; K293-E414 WeakPolarHBondContact CE-OE1 3.14Å; K293-E414 WeakPolarHBondContact CE-OE2 3.38Å; K293-E414 IonicContact NZ-OE1 2.71Å; K293-E414 PolarHBondContact NZ-OE1 3.47Å; K293-E414 IonicContact NZ-OE2 2.97Å; K293-M422 CarbonylContact O-C 3.56Å; K293-M422 VanDerWaalsContact O-CA 3.3Å; K293-M422 WeakPolarHBondContact O-CA 3.3Å; K293-D423 PolarHBondContact O-N 3.11Å; K293-E424 HydrophobicContact CB-CB 4.29Å; K293-E424 HydrophobicContact CB-CG 4.03Å; K293-E424 WeakPolarHBondContact CD-OE1 3.22Å; K293-E424 PolarHBondContact O-N 3.08Å |
| 294 | S | 95.9 | Very high | 94.9 | Very high | 4 Ų | 4 | 29.3 Ų | 29.3 | 3% | 0.028 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.5 | -20.7 | 178.7 | 65 | 0 | 0 | 0 | 0 | 114 | F291 Y292 E424 | F291-S294 PolarHBondContact O-N 3.04Å; F291-S294 PolarHBondContact O-OG 2.84Å; Y292-S294 PolarHBondContact O-N 3.41Å; S294-E424 WeakPolarHBondContact CA-O 3.4Å; S294-E424 WeakPolarHBondContact CB-O 3.4Å |
| 295 | N | 94.6 | Very high | 95 | Very high | 54 Ų | 54 | 29.3 Ų | 29.3 | 29% | 0.289 | 15% | 0.153 | S | C | . | . | trans | 35.4 | 67.7 | -175.9 | -165.3 | -9.7 | 0 | 0 | 0 | 113.4 | F291 Y292 A297 Q298 M422 | F291-N295 PolarHBondContact O-N 3.36Å; Y292-N295 PolarHBondContact O-N 2.88Å; Y292-N295 VanDerWaalsContact O-N 3.16Å; N295-A297 PolarHBondContact O-N 3.26Å; N295-A297 VanDerWaalsContact O-N 3.09Å; N295-Q298 HydrophobicContact CB-CB 4.19Å; N295-Q298 VanDerWaalsContact O-CB 3.3Å; N295-Q298 WeakPolarHBondContact O-CB 3.42Å; N295-Q298 PolarHBondContact O-N 2.98Å; N295-M422 HydrophobicContact CB-CG 4.46Å; N295-M422 HydrophobicContact CB-SD 4.37Å | ||
| 296 | P | 95.3 | Very high | 95 | Very high | 3 Ų | 3 | 29.5 Ų | 29.5 | 2% | 0.019 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -16.2 | -167.5 | 26.8 | -34.5 | 0 | 0 | 0 | 114.1 | L288 F291 P300 L429 V430 | L288-P296 HydrophobicContact CD1-CG 4.44Å; L288-P296 HydrophobicContact CD2-CG 4.41Å; F291-P296 HydrophobicContact CB-CG 4.13Å; P296-P300 WeakPolarHBondContact O-CD 3.44Å; P296-L429 HydrophobicContact CB-CB 3.62Å; P296-L429 HydrophobicContact CG-CB 4Å; P296-L429 HydrophobicContact CG-CD1 4.49Å; P296-V430 HydrophobicContact CB-CG2 4.1Å |
| 297 | A | 95.5 | Very high | 95.1 | Very high | 1 Ų | 1 | 27.1 Ų | 27.1 | 1% | 0.008 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -26.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | L288 N295 L299 P300 S301 P329 F339 L433 | L288-A297 HydrophobicContact CD1-CB 3.88Å; N295-A297 PolarHBondContact O-N 3.26Å; N295-A297 VanDerWaalsContact O-N 3.09Å; A297-L299 VanDerWaalsContact C-N 3.32Å; A297-L299 PolarHBondContact O-N 2.83Å; A297-P300 VanDerWaalsContact O-CD 3.3Å; A297-P300 WeakPolarHBondContact O-CD 3.21Å; A297-S301 WeakPolarHBondContact O-CB 3.48Å; A297-S301 PolarHBondContact O-N 3.47Å; A297-S301 PolarHBondContact O-OG 2.99Å; A297-P329 HydrophobicContact CB-CB 4.02Å; A297-P329 HydrophobicContact CB-CG 3.71Å; A297-F339 HydrophobicContact CB-CE2 4.42Å; A297-L433 HydrophobicContact CB-CD2 3.92Å |
| 298 | Q | 94.3 | Very high | 95.2 | Very high | 71 Ų | 71 | 25.8 Ų | 25.8 | 33% | 0.332 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -58.6 | -39.2 | -171.7 | -177.7 | 61.3 | 17.8 | 0 | 0 | 113.3 | N295 H302 C380 M422 | N295-Q298 HydrophobicContact CB-CB 4.19Å; N295-Q298 VanDerWaalsContact O-CB 3.3Å; N295-Q298 WeakPolarHBondContact O-CB 3.42Å; N295-Q298 PolarHBondContact O-N 2.98Å; Q298-H302 WeakPolarHBondContact O-CB 3.33Å; Q298-H302 PolarHBondContact O-N 3.45Å; Q298-C380 HydrophobicContact CG-CB 4.34Å; Q298-M422 HydrophobicContact CB-CE 3.8Å; Q298-M422 HydrophobicContact CB-SD 4.02Å; Q298-M422 HydrophobicContact CG-CE 3.84Å; Q298-M422 HydrophobicContact CG-SD 3.74Å |
| 299 | L | 93.5 | Very high | 95.2 | Very high | 5 Ų | 5 | 27.8 Ų | 27.8 | 3% | 0.026 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -71.1 | -50.2 | -179.8 | -178.5 | 150.8 | 0 | 0 | 0 | 112.1 | A297 S301 H302 L303 I367 V372 I376 V430 | A297-L299 VanDerWaalsContact C-N 3.32Å; A297-L299 PolarHBondContact O-N 2.83Å; L299-S301 VanDerWaalsContact C-N 3.33Å; L299-S301 PolarHBondContact O-N 3.03Å; L299-H302 PolarHBondContact O-N 3.5Å; L299-L303 HydrophobicContact CD2-CD1 3.64Å; L299-L303 HydrophobicContact CG-CD1 4.12Å; L299-L303 WeakPolarHBondContact O-CB 3.39Å; L299-L303 WeakPolarHBondContact O-CG 3.37Å; L299-L303 PolarHBondContact O-N 3Å; L299-I367 HydrophobicContact CD2-CG2 4.05Å; L299-V372 HydrophobicContact CD1-CG1 3.82Å; L299-V372 HydrophobicContact CD2-CG1 4.25Å; L299-I376 HydrophobicContact CD1-CB 3.94Å; L299-I376 HydrophobicContact CD1-CG2 4.03Å; L299-I376 HydrophobicContact CG-CG2 4.24Å; L299-V430 HydrophobicContact CD2-CG1 4.38Å |
| 300 | P | 95.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -55.3 | -42.6 | 169.3 | -29.7 | 36.7 | 0 | 0 | 0 | 113.9 | P296 A297 L303 L304 F339 V430 L433 L434 | P296-P300 WeakPolarHBondContact O-CD 3.44Å; A297-P300 VanDerWaalsContact O-CD 3.3Å; A297-P300 WeakPolarHBondContact O-CD 3.21Å; P300-L303 PolarHBondContact O-N 3.44Å; P300-L304 WeakPolarHBondContact O-CB 3.5Å; P300-L304 VanDerWaalsContact O-CG 3.26Å; P300-L304 WeakPolarHBondContact O-CG 3.24Å; P300-L304 PolarHBondContact O-N 2.86Å; P300-F339 HydrophobicContact CB-CE2 4.01Å; P300-F339 HydrophobicContact CB-CZ 4.02Å; P300-V430 HydrophobicContact CG-CG1 3.81Å; P300-L433 HydrophobicContact CG-CD2 4.17Å; P300-L434 HydrophobicContact CG-CD2 4.47Å |
| 301 | S | 96.3 | Very high | 95.4 | Very high | 11 Ų | 11 | 23.6 Ų | 23.6 | 8% | 0.077 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -62.8 | -48.9 | 177.5 | -63.9 | 0 | 0 | 0 | 0 | 112.5 | A297 L299 L303 G305 A327 G328 P329 F339 | A297-S301 WeakPolarHBondContact O-CB 3.48Å; A297-S301 PolarHBondContact O-N 3.47Å; A297-S301 PolarHBondContact O-OG 2.99Å; L299-S301 VanDerWaalsContact C-N 3.33Å; L299-S301 PolarHBondContact O-N 3.03Å; S301-L303 VanDerWaalsContact C-N 3.32Å; S301-L303 PolarHBondContact O-N 3.34Å; S301-G305 WeakPolarHBondContact O-CA 3.42Å; S301-G305 PolarHBondContact O-N 3.39Å; S301-A327 WeakPolarHBondContact CB-O 3.45Å; S301-G328 WeakPolarHBondContact OG-CA 3.34Å; S301-P329 WeakPolarHBondContact OG-CD 3.44Å; S301-F339 VanDerWaalsContact OG-CE2 3.25Å; S301-F339 WeakPolarHBondContact OG-CE2 3.29Å; S301-F339 WeakPolarHBondContact OG-CZ 3.35Å |
| 302 | H | 94.1 | Very high | 95.5 | Very high | 21 Ų | 21 | 20.3 Ų | 20.3 | 10% | 0.097 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -59.8 | -39.7 | 177.3 | 171.8 | 66.6 | 0 | 0 | 0 | 112.5 | Q298 L299 H306 | Q298-H302 WeakPolarHBondContact O-CB 3.33Å; Q298-H302 PolarHBondContact O-N 3.45Å; L299-H302 PolarHBondContact O-N 3.5Å; H302-H306 AromaticContact CE1-CD2 3.45Å; H302-H306 PolarHBondContact CE1-CD2 2.87Å; H302-H306 VanDerWaalsContact CE1-CD2 3.45Å; H302-H306 AromaticContact CE1-NE2 3.78Å; H302-H306 AromaticContact ND1-CD2 3.99Å; H302-H306 AromaticContact NE2-CD2 3.83Å; H302-H306 WeakPolarHBondContact O-CA 3.42Å; H302-H306 VanDerWaalsContact O-CB 3.28Å; H302-H306 WeakPolarHBondContact O-CB 3.34Å; H302-H306 PolarHBondContact O-N 3.21Å |
| 303 | L | 94.8 | Very high | 95.6 | Very high | 17 Ų | 17 | 18.9 Ų | 18.9 | 9% | 0.089 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -79.3 | -42.1 | -177.6 | -67.2 | 178.8 | 0 | 0 | 0 | 113.4 | L299 P300 S301 I367 I376 I490 P491 | L299-L303 HydrophobicContact CD2-CD1 3.64Å; L299-L303 HydrophobicContact CG-CD1 4.12Å; L299-L303 WeakPolarHBondContact O-CB 3.39Å; L299-L303 WeakPolarHBondContact O-CG 3.37Å; L299-L303 PolarHBondContact O-N 3Å; P300-L303 PolarHBondContact O-N 3.44Å; S301-L303 VanDerWaalsContact C-N 3.32Å; S301-L303 PolarHBondContact O-N 3.34Å; L303-I367 HydrophobicContact CB-CD1 3.94Å; L303-I367 HydrophobicContact CB-CG1 4.29Å; L303-I367 HydrophobicContact CD1-CD1 4.2Å; L303-I367 HydrophobicContact CD1-CG1 3.87Å; L303-I367 HydrophobicContact CD1-CG2 4.41Å; L303-I376 HydrophobicContact CD1-CD1 4.35Å; L303-I376 HydrophobicContact CD2-CD1 4.32Å; L303-I490 HydrophobicContact CD1-CD1 4.01Å; L303-I490 HydrophobicContact CD2-CG2 4Å; L303-P491 VanDerWaalsContact CD2-CD 3.43Å; L303-P491 HydrophobicContact CD2-CG 4.16Å |
| 304 | L | 96.8 | Very high | 95.6 | Very high | 2 Ų | 2 | 17 Ų | 17 | 1% | 0.01 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -75.3 | -34.4 | 179.2 | -63.2 | 172.7 | 0 | 0 | 0 | 111.9 | P300 L312 A327 F339 I364 I367 M437 | P300-L304 WeakPolarHBondContact O-CB 3.5Å; P300-L304 VanDerWaalsContact O-CG 3.26Å; P300-L304 WeakPolarHBondContact O-CG 3.24Å; P300-L304 PolarHBondContact O-N 2.86Å; L304-L312 HydrophobicContact CB-CD1 4.43Å; L304-L312 HydrophobicContact CD2-CD1 3.75Å; L304-A327 HydrophobicContact CB-CB 3.8Å; L304-F339 HydrophobicContact CD1-CE1 3.95Å; L304-F339 HydrophobicContact CD1-CZ 4.18Å; L304-I364 HydrophobicContact CD1-CG1 4Å; L304-I364 HydrophobicContact CD2-CG1 3.98Å; L304-I367 HydrophobicContact CD1-CD1 4.49Å; L304-I367 HydrophobicContact CD2-CD1 4.01Å; L304-I367 HydrophobicContact CG-CD1 3.96Å; L304-M437 HydrophobicContact CD1-CE 3.56Å |
| 305 | G | 97 | Very high | 95.6 | Very high | 7 Ų | 7 | 17 Ų | 17 | 7% | 0.072 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | 6.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | S301 Y574 | S301-G305 WeakPolarHBondContact O-CA 3.42Å; S301-G305 PolarHBondContact O-N 3.39Å; G305-Y574 PolarHBondContact O-OH 3.29Å; G305-Y574 VanDerWaalsContact O-OH 3.14Å |
| 306 | H | 96.3 | Very high | 95.6 | Very high | 8 Ų | 8 | 14.5 Ų | 14.5 | 4% | 0.037 | 9% | 0.089 | C | C | . | . | trans | -65.5 | 136.6 | -176.8 | -154.9 | -93.2 | 0 | 0 | 0 | 111.5 | H302 G308 S311 P491 Y574 | H302-H306 AromaticContact CE1-CD2 3.45Å; H302-H306 PolarHBondContact CE1-CD2 2.87Å; H302-H306 VanDerWaalsContact CE1-CD2 3.45Å; H302-H306 AromaticContact CE1-NE2 3.78Å; H302-H306 AromaticContact ND1-CD2 3.99Å; H302-H306 AromaticContact NE2-CD2 3.83Å; H302-H306 WeakPolarHBondContact O-CA 3.42Å; H302-H306 VanDerWaalsContact O-CB 3.28Å; H302-H306 WeakPolarHBondContact O-CB 3.34Å; H302-H306 PolarHBondContact O-N 3.21Å; H306-G308 PolarHBondContact ND1-N 2.82Å; H306-G308 VanDerWaalsContact ND1-N 3.11Å; H306-S311 WeakPolarHBondContact O-CB 2.82Å; H306-S311 PolarHBondContact O-OG 3.05Å; H306-P491 HydrophobicContact CB-CG 4.39Å; H306-P491 VanDerWaalsContact CD2-CG 3.4Å; H306-P491 WeakPolarHBondContact CD2-CG 3.46Å; H306-P491 WeakPolarHBondContact NE2-CG 3.44Å; H306-Y574 AromaticContact CD2-CE1 3.57Å; H306-Y574 AromaticContact CE1-CD1 3.9Å; H306-Y574 AromaticContact CG-CE1 3.93Å; H306-Y574 AromaticContact NE2-CD1 3.85Å; H306-Y574 AromaticContact NE2-CE1 3.62Å | ||
| 307 | E | 96.7 | Very high | 95.6 | Very high | 45 Ų | 45 | 15.6 Ų | 15.6 | 21% | 0.21 | 9% | 0.094 | C | C | . | . | trans | -111 | -1 | -179.1 | -50.6 | -171.8 | -124.7 | 0 | 0 | 114.4 | L313 N570 E571 Y574 | E307-L313 HydrophobicContact CB-CD2 3.89Å; E307-L313 HydrophobicContact CG-CD2 3.64Å; E307-L313 WeakPolarHBondContact OE2-CD2 3.44Å; E307-N570 PolarHBondContact OE2-ND2 3.43Å; E307-E571 WeakPolarHBondContact O-CA 3.35Å; E307-Y574 HydrophobicContact CB-CD1 4.23Å; E307-Y574 HydrophobicContact CB-CD2 3.48Å; E307-Y574 VanDerWaalsContact CB-CD2 3.48Å; E307-Y574 HydrophobicContact CB-CE1 4.48Å; E307-Y574 HydrophobicContact CB-CE2 3.77Å; E307-Y574 HydrophobicContact CB-CG 3.71Å; E307-Y574 HydrophobicContact CG-CD2 3.66Å; E307-Y574 HydrophobicContact CG-CE2 3.46Å; E307-Y574 VanDerWaalsContact CG-CE2 3.46Å; E307-Y574 HydrophobicContact CG-CG 4.36Å; E307-Y574 WeakPolarHBondContact OE1-CE2 3.17Å | ||
| 308 | G | 94.7 | Very high | 95.4 | Very high | 4 Ų | 4 | 22 Ų | 22 | 4% | 0.041 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -71.9 | 166.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | H306 G310 S311 | H306-G308 PolarHBondContact ND1-N 2.82Å; H306-G308 VanDerWaalsContact ND1-N 3.11Å; G308-G310 PolarHBondContact O-N 3.18Å; G308-S311 VanDerWaalsContact O-CB 3.25Å; G308-S311 WeakPolarHBondContact O-CB 3.5Å; G308-S311 PolarHBondContact O-N 3.25Å; G308-S311 PolarHBondContact O-OG 3.33Å |
| 309 | A | 93.4 | Very high | 95.4 | Very high | 73 Ų | 73 | 22.8 Ų | 22.8 | 60% | 0.603 | 12% | 0.118 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | 134.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | S311 | A309-S311 VanDerWaalsContact C-N 3.35Š|
| 310 | G | 94.7 | Very high | 95.4 | Very high | 8 Ų | 8 | 23 Ų | 23 | 8% | 0.082 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.7 | 5.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115 | G308 S314 L488 K489 | G308-G310 PolarHBondContact O-N 3.18Å; G310-S314 PolarHBondContact N-OG 2.7Å; G310-L488 WeakPolarHBondContact O-CA 3.25Å; G310-K489 PolarHBondContact O-N 2.89Å |
| 311 | S | 96.9 | Very high | 95.5 | Very high | 6 Ų | 6 | 24.1 Ų | 24.1 | 4% | 0.042 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -78.1 | 175.6 | 171.3 | 80 | 0 | 0 | 0 | 0 | 113.4 | H306 G308 A309 L313 S314 E315 | H306-S311 WeakPolarHBondContact O-CB 2.82Å; H306-S311 PolarHBondContact O-OG 3.05Å; G308-S311 VanDerWaalsContact O-CB 3.25Å; G308-S311 WeakPolarHBondContact O-CB 3.5Å; G308-S311 PolarHBondContact O-N 3.25Å; G308-S311 PolarHBondContact O-OG 3.33Å; A309-S311 VanDerWaalsContact C-N 3.35Å; S311-L313 VanDerWaalsContact C-N 3.34Å; S311-L313 PolarHBondContact O-N 3.41Å; S311-L313 PolarHBondContact OG-N 3.24Å; S311-S314 WeakPolarHBondContact O-CB 3.11Å; S311-S314 PolarHBondContact O-N 2.95Å; S311-S314 PolarHBondContact OG-N 2.75Å; S311-E315 PolarHBondContact O-N 3.06Å; S311-E315 VanDerWaalsContact O-N 3.1Å |
| 312 | L | 97.5 | Very high | 95.5 | Very high | 7 Ų | 7 | 23.6 Ų | 23.6 | 4% | 0.037 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -55.2 | -47.3 | 169.4 | -72.4 | 175.9 | 0 | 0 | 0 | 111.9 | L304 S314 E315 F316 L359 L488 | L304-L312 HydrophobicContact CB-CD1 4.43Å; L304-L312 HydrophobicContact CD2-CD1 3.75Å; L312-S314 VanDerWaalsContact C-N 3.32Å; L312-S314 PolarHBondContact O-N 2.83Å; L312-E315 PolarHBondContact O-N 3.42Å; L312-F316 HydrophobicContact CB-CD2 4.37Å; L312-F316 HydrophobicContact CB-CE2 3.82Å; L312-F316 HydrophobicContact CB-CZ 4.35Å; L312-F316 HydrophobicContact CD2-CZ 4.35Å; L312-F316 WeakPolarHBondContact O-CD2 3.37Å; L312-F316 VanDerWaalsContact O-CG 3.23Å; L312-F316 WeakPolarHBondContact O-CG 3.47Å; L312-F316 PolarHBondContact O-N 3.15Å; L312-L359 WeakPolarHBondContact CD2-O 3.45Å; L312-L488 HydrophobicContact CD2-CD1 3.94Å; L312-L488 HydrophobicContact CD2-CD2 3.86Å; L312-L488 HydrophobicContact CG-CD2 4.45Å |
| 313 | L | 97.3 | Very high | 95.4 | Very high | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.005 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -62.2 | -40.2 | 178.9 | -170 | 62.4 | 0 | 0 | 0 | 112.1 | E307 S311 E315 F316 K317 V322 I325 | E307-L313 HydrophobicContact CB-CD2 3.89Å; E307-L313 HydrophobicContact CG-CD2 3.64Å; E307-L313 WeakPolarHBondContact OE2-CD2 3.44Å; S311-L313 VanDerWaalsContact C-N 3.34Å; S311-L313 PolarHBondContact O-N 3.41Å; S311-L313 PolarHBondContact OG-N 3.24Å; L313-E315 VanDerWaalsContact C-N 3.35Å; L313-E315 PolarHBondContact O-N 3.06Å; L313-F316 PolarHBondContact O-N 2.7Å; L313-K317 HydrophobicContact CD1-CD 4.26Å; L313-K317 HydrophobicContact CD1-CG 4.28Å; L313-K317 HydrophobicContact CD2-CD 4.33Å; L313-K317 HydrophobicContact CG-CD 3.88Å; L313-K317 HydrophobicContact CG-CG 4.29Å; L313-K317 WeakPolarHBondContact O-CB 3.41Å; L313-K317 VanDerWaalsContact O-CG 3.3Å; L313-K317 WeakPolarHBondContact O-CG 3.27Å; L313-K317 PolarHBondContact O-N 2.81Å; L313-V322 HydrophobicContact CD1-CG1 4.3Å; L313-I325 HydrophobicContact CB-CG2 3.83Å; L313-I325 HydrophobicContact CD1-CB 4.18Å; L313-I325 HydrophobicContact CD1-CG2 4.07Å; L313-I325 HydrophobicContact CD2-CG2 4.18Å; L313-I325 HydrophobicContact CG-CG2 4.23Å |
| 314 | S | 95.9 | Very high | 95.4 | Very high | 10 Ų | 10 | 24.7 Ų | 24.7 | 7% | 0.07 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -58.2 | -45.8 | 176 | -173.8 | 0 | 0 | 0 | 0 | 111.2 | G310 S311 L312 R318 E571 | G310-S314 PolarHBondContact N-OG 2.7Å; S311-S314 WeakPolarHBondContact O-CB 3.11Å; S311-S314 PolarHBondContact O-N 2.95Å; S311-S314 PolarHBondContact OG-N 2.75Å; L312-S314 VanDerWaalsContact C-N 3.32Å; L312-S314 PolarHBondContact O-N 2.83Å; S314-R318 WeakPolarHBondContact O-CB 3.47Å; S314-R318 PolarHBondContact O-N 2.85Å; S314-E571 WeakPolarHBondContact CB-OE1 3.08Å; S314-E571 PolarHBondContact OG-OE1 3.28Å |
| 315 | E | 96.1 | Very high | 95.5 | Very high | 4 Ų | 4 | 25.2 Ų | 25.2 | 2% | 0.019 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -67.7 | -43.2 | 177.1 | -179.4 | 59.7 | 179.8 | 0 | 0 | 112.3 | S311 L312 L313 K317 R318 R319 L359 F487 L488 | S311-E315 PolarHBondContact O-N 3.06Å; S311-E315 VanDerWaalsContact O-N 3.1Å; L312-E315 PolarHBondContact O-N 3.42Å; L313-E315 VanDerWaalsContact C-N 3.35Å; L313-E315 PolarHBondContact O-N 3.06Å; E315-K317 VanDerWaalsContact C-N 3.35Å; E315-K317 PolarHBondContact O-N 2.76Å; E315-R318 VanDerWaalsContact CD-NH2 3.25Å; E315-R318 PolarHBondContact O-N 3.06Å; E315-R318 IonicContact OE1-CZ 3.39Å; E315-R318 IonicContact OE1-NE 2.67Å; E315-R318 IonicContact OE1-NH2 2.65Å; E315-R318 PolarHBondContact OE1-NH2 3.47Å; E315-R318 IonicContact OE2-CZ 3.53Å; E315-R318 VanDerWaalsContact OE2-CZ 3.24Å; E315-R318 IonicContact OE2-NE 2.77Å; E315-R318 PolarHBondContact OE2-NE 3.44Å; E315-R318 IonicContact OE2-NH2 2.6Å; E315-R318 PolarHBondContact OE2-NH2 3.04Å; E315-R319 WeakPolarHBondContact O-CG 3.36Å; E315-R319 PolarHBondContact O-N 3.1Å; E315-R319 IonicContact OE1-CZ 3.07Å; E315-R319 IonicContact OE1-NE 3.77Å; E315-R319 PolarHBondContact OE1-NE 3Å; E315-R319 IonicContact OE1-NH2 3.74Å; E315-R319 PolarHBondContact OE1-NH2 3.33Å; E315-L359 HydrophobicContact CG-CD1 4.26Å; E315-L359 HydrophobicContact CG-CD2 4.39Å; E315-F487 HydrophobicContact CB-CD1 3.65Å; E315-F487 HydrophobicContact CB-CE1 3.64Å; E315-F487 HydrophobicContact CG-CD1 4.2Å; E315-F487 WeakPolarHBondContact OE2-CD1 3.44Å; E315-F487 WeakPolarHBondContact OE2-CG 3.23Å; E315-L488 HydrophobicContact CB-CD2 4.24Å |
| 316 | F | 96.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63.5 | -39.9 | 177.7 | -61.2 | -42.7 | 0 | 0 | 0 | 112.5 | L312 L313 R319 G320 W321 V322 I325 L343 I356 L359 V360 | L312-F316 HydrophobicContact CB-CD2 4.37Å; L312-F316 HydrophobicContact CB-CE2 3.82Å; L312-F316 HydrophobicContact CB-CZ 4.35Å; L312-F316 HydrophobicContact CD2-CZ 4.35Å; L312-F316 WeakPolarHBondContact O-CD2 3.37Å; L312-F316 VanDerWaalsContact O-CG 3.23Å; L312-F316 WeakPolarHBondContact O-CG 3.47Å; L312-F316 PolarHBondContact O-N 3.15Å; L313-F316 PolarHBondContact O-N 2.7Å; F316-R319 PolarHBondContact O-N 3.48Å; F316-G320 PolarHBondContact O-N 3.07Å; F316-W321 PolarHBondContact O-N 2.92Å; F316-V322 HydrophobicContact CB-CB 3.59Å; F316-V322 HydrophobicContact CB-CG2 3.76Å; F316-V322 HydrophobicContact CD1-CG2 4.27Å; F316-V322 HydrophobicContact CD2-CB 4.09Å; F316-V322 HydrophobicContact CD2-CG2 3.92Å; F316-V322 HydrophobicContact CG-CB 4.02Å; F316-V322 HydrophobicContact CG-CG2 3.75Å; F316-I325 HydrophobicContact CE2-CD1 4.15Å; F316-L343 HydrophobicContact CD2-CD2 4.22Å; F316-L343 HydrophobicContact CE2-CD2 3.72Å; F316-L343 HydrophobicContact CZ-CD2 4.26Å; F316-I356 HydrophobicContact CD1-CG2 4.21Å; F316-I356 HydrophobicContact CE1-CB 4.22Å; F316-I356 HydrophobicContact CE1-CG1 4.44Å; F316-I356 HydrophobicContact CE1-CG2 3.63Å; F316-I356 HydrophobicContact CE2-CG2 4.39Å; F316-I356 HydrophobicContact CZ-CG2 3.75Å; F316-L359 HydrophobicContact CD1-CD1 3.95Å; F316-L359 HydrophobicContact CE1-CB 3.59Å; F316-L359 HydrophobicContact CE1-CD1 3.6Å; F316-L359 HydrophobicContact CE1-CG 4.26Å; F316-L359 HydrophobicContact CZ-CB 4.03Å; F316-V360 HydrophobicContact CE2-CG2 4.49Å; F316-V360 HydrophobicContact CZ-CG2 3.99Å |
| 317 | K | 93.9 | Very high | 95.6 | Very high | 27 Ų | 27 | 28.7 Ų | 28.7 | 12% | 0.117 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -66.9 | -41.6 | 175.6 | -75.5 | 178 | 172.1 | -174.4 | 0 | 111.6 | L313 E315 R319 G320 V322 S323 E567 | L313-K317 HydrophobicContact CD1-CD 4.26Å; L313-K317 HydrophobicContact CD1-CG 4.28Å; L313-K317 HydrophobicContact CD2-CD 4.33Å; L313-K317 HydrophobicContact CG-CD 3.88Å; L313-K317 HydrophobicContact CG-CG 4.29Å; L313-K317 WeakPolarHBondContact O-CB 3.41Å; L313-K317 VanDerWaalsContact O-CG 3.3Å; L313-K317 WeakPolarHBondContact O-CG 3.27Å; L313-K317 PolarHBondContact O-N 2.81Å; E315-K317 VanDerWaalsContact C-N 3.35Å; E315-K317 PolarHBondContact O-N 2.76Å; K317-R319 VanDerWaalsContact C-N 3.26Å; K317-R319 PolarHBondContact O-N 3.28Å; K317-G320 PolarHBondContact O-N 2.71Å; K317-V322 WeakPolarHBondContact CG-O 3.33Å; K317-S323 WeakPolarHBondContact CE-O 3.36Å; K317-S323 PolarHBondContact NZ-O 2.81Å; K317-E567 WeakPolarHBondContact CD-OE1 3.42Å; K317-E567 WeakPolarHBondContact CE-OE1 3.5Å; K317-E567 IonicContact NZ-OE1 2.88Å; K317-E567 PolarHBondContact NZ-OE1 2.83Å; K317-E567 IonicContact NZ-OE2 2.67Å; K317-E567 PolarHBondContact NZ-OE2 3.14Å |
| 318 | R | 92.4 | Very high | 95.6 | Very high | 136 Ų | 136 | 27.4 Ų | 27.4 | 51% | 0.513 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -59.4 | -34.8 | 173.9 | -168.3 | -171.5 | 68.9 | 77.4 | 1.8 | 112.8 | S314 E315 | S314-R318 WeakPolarHBondContact O-CB 3.47Å; S314-R318 PolarHBondContact O-N 2.85Å; E315-R318 VanDerWaalsContact CD-NH2 3.25Å; E315-R318 PolarHBondContact O-N 3.06Å; E315-R318 IonicContact OE1-CZ 3.39Å; E315-R318 IonicContact OE1-NE 2.67Å; E315-R318 IonicContact OE1-NH2 2.65Å; E315-R318 PolarHBondContact OE1-NH2 3.47Å; E315-R318 IonicContact OE2-CZ 3.53Å; E315-R318 VanDerWaalsContact OE2-CZ 3.24Å; E315-R318 IonicContact OE2-NE 2.77Å; E315-R318 PolarHBondContact OE2-NE 3.44Å; E315-R318 IonicContact OE2-NH2 2.6Å; E315-R318 PolarHBondContact OE2-NH2 3.04Å |
| 319 | R | 93.7 | Very high | 95.7 | Very high | 86 Ų | 86 | 29.9 Ų | 29.9 | 33% | 0.325 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -79.3 | -23 | 173.4 | -66 | -175.9 | -173.8 | -148.6 | 6.2 | 113.3 | E315 F316 K317 W321 | E315-R319 WeakPolarHBondContact O-CG 3.36Å; E315-R319 PolarHBondContact O-N 3.1Å; E315-R319 IonicContact OE1-CZ 3.07Å; E315-R319 IonicContact OE1-NE 3.77Å; E315-R319 PolarHBondContact OE1-NE 3Å; E315-R319 IonicContact OE1-NH2 3.74Å; E315-R319 PolarHBondContact OE1-NH2 3.33Å; F316-R319 PolarHBondContact O-N 3.48Å; K317-R319 VanDerWaalsContact C-N 3.26Å; K317-R319 PolarHBondContact O-N 3.28Å; R319-W321 HydrophobicContact CB-CD2 3.62Å; R319-W321 HydrophobicContact CB-CE3 4.05Å; R319-W321 HydrophobicContact CB-CG 3.82Å; R319-W321 HydrophobicContact CB-CZ2 4.48Å; R319-W321 VanDerWaalsContact CD-CE3 3.45Å; R319-W321 HydrophobicContact CG-CD2 4.37Å; R319-W321 HydrophobicContact CG-CE3 4.39Å |
| 320 | G | 94 | Very high | 95.7 | Very high | 10 Ų | 10 | 30.1 Ų | 30.1 | 10% | 0.103 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.8 | 27.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | F316 K317 T346 | F316-G320 PolarHBondContact O-N 3.07Å; K317-G320 PolarHBondContact O-N 2.71Å; G320-T346 WeakPolarHBondContact O-CB 3.43Å; G320-T346 VanDerWaalsContact O-CG2 3.29Å; G320-T346 WeakPolarHBondContact O-CG2 3.32Å; G320-T346 PolarHBondContact O-OG1 3.21Å |
| 321 | W | 96.5 | Very high | 95.6 | Very high | 24 Ų | 24 | 33.9 Ų | 33.9 | 9% | 0.091 | 18% | 0.178 | C | C | . | . | trans | -99.6 | -38.8 | -171.7 | -68.4 | -14.4 | 0 | 0 | 0 | 114.1 | F316 R319 T346 G349 H352 E355 I356 L359 | F316-W321 PolarHBondContact O-N 2.92Å; R319-W321 HydrophobicContact CB-CD2 3.62Å; R319-W321 HydrophobicContact CB-CE3 4.05Å; R319-W321 HydrophobicContact CB-CG 3.82Å; R319-W321 HydrophobicContact CB-CZ2 4.48Å; R319-W321 VanDerWaalsContact CD-CE3 3.45Å; R319-W321 HydrophobicContact CG-CD2 4.37Å; R319-W321 HydrophobicContact CG-CE3 4.39Å; W321-T346 PolarHBondContact O-N 2.93Å; W321-T346 PolarHBondContact O-OG1 3.31Å; W321-G349 WeakPolarHBondContact O-CA 3.27Å; W321-H352 HydrophobicContact CD2-CB 4.1Å; W321-H352 AromaticContact CE2-CD2 3.86Å; W321-H352 AromaticContact CE2-CG 3.63Å; W321-H352 HydrophobicContact CE3-CB 4.47Å; W321-H352 HydrophobicContact CH2-CB 4.14Å; W321-H352 HydrophobicContact CZ2-CB 3.8Å; W321-H352 AromaticContact CZ2-CD2 3.33Å; W321-H352 WeakPolarHBondContact CZ2-CD2 3.48Å; W321-H352 AromaticContact CZ2-CG 3.57Å; W321-H352 AromaticContact CZ2-NE2 3.99Å; W321-H352 HydrophobicContact CZ3-CB 4.47Å; W321-H352 AromaticContact NE1-CG 3.65Å; W321-H352 AromaticContact NE1-ND1 3.64Å; W321-E355 HydrophobicContact CH2-CB 3.68Å; W321-E355 HydrophobicContact CH2-CG 4.37Å; W321-E355 HydrophobicContact CZ3-CB 3.79Å; W321-I356 HydrophobicContact CB-CD1 4Å; W321-I356 HydrophobicContact CB-CG1 4.21Å; W321-I356 HydrophobicContact CD2-CG1 4.26Å; W321-I356 HydrophobicContact CE3-CG1 3.67Å; W321-I356 HydrophobicContact CZ3-CG1 4.32Å; W321-L359 HydrophobicContact CE3-CD1 4.26Å; W321-L359 HydrophobicContact CZ3-CD1 3.81Å | ||
| 322 | V | 96.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 139.6 | -176.4 | -175.1 | 0 | 0 | 0 | 0 | 109.7 | L313 F316 K317 S324 L343 D344 L345 I356 | L313-V322 HydrophobicContact CD1-CG1 4.3Å; F316-V322 HydrophobicContact CB-CB 3.59Å; F316-V322 HydrophobicContact CB-CG2 3.76Å; F316-V322 HydrophobicContact CD1-CG2 4.27Å; F316-V322 HydrophobicContact CD2-CB 4.09Å; F316-V322 HydrophobicContact CD2-CG2 3.92Å; F316-V322 HydrophobicContact CG-CB 4.02Å; F316-V322 HydrophobicContact CG-CG2 3.75Å; K317-V322 WeakPolarHBondContact CG-O 3.33Å; V322-S324 WeakPolarHBondContact CG1-O 3.46Å; V322-L343 HydrophobicContact CG1-CB 3.86Å; V322-L343 HydrophobicContact CG1-CD2 4.19Å; V322-L343 HydrophobicContact CG2-CB 4.46Å; V322-L343 HydrophobicContact CG2-CD2 3.99Å; V322-D344 WeakPolarHBondContact CA-O 3.39Å; V322-D344 WeakPolarHBondContact CG1-O 3.47Å; V322-L345 HydrophobicContact CG2-CD2 4.01Å; V322-I356 HydrophobicContact CG2-CD1 4.15Å; V322-I356 HydrophobicContact CG2-CG2 4.08Å |
| 323 | S | 92.4 | Very high | 95.3 | Very high | 9 Ų | 9 | 34 Ų | 34 | 6% | 0.063 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | -27.8 | -179.6 | 63.7 | 0 | 0 | 0 | 0 | 114.2 | K317 D344 W626 R630 | K317-S323 WeakPolarHBondContact CE-O 3.36Å; K317-S323 PolarHBondContact NZ-O 2.81Å; S323-D344 PolarHBondContact N-O 2.93Å; S323-D344 PolarHBondContact OG-O 3.01Å; S323-D344 VanDerWaalsContact OG-O 3.13Å; S323-W626 VanDerWaalsContact CB-CZ3 3.41Å; S323-R630 PolarHBondContact OG-NH1 2.86Å |
| 324 | S | 95 | Very high | 95 | Very high | 51 Ų | 51 | 38 Ų | 38 | 36% | 0.357 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 150.8 | 173.2 | 54.2 | 0 | 0 | 0 | 0 | 111.3 | V322 L343 D344 | V322-S324 WeakPolarHBondContact CG1-O 3.46Å; S324-L343 WeakPolarHBondContact O-CA 3.34Å; S324-D344 PolarHBondContact O-N 3.4Å; S324-D344 VanDerWaalsContact O-N 3.09Å; S324-D344 WeakPolarHBondContact OG-CB 3.37Å |
| 325 | I | 97.6 | Very high | 94.9 | Very high | 14 Ų | 14 | 38.2 Ų | 38.2 | 7% | 0.072 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 148.6 | 172.2 | -167.8 | 160.5 | 0 | 0 | 0 | 109.9 | L313 F316 V341 D342 L343 | L313-I325 HydrophobicContact CB-CG2 3.83Å; L313-I325 HydrophobicContact CD1-CB 4.18Å; L313-I325 HydrophobicContact CD1-CG2 4.07Å; L313-I325 HydrophobicContact CD2-CG2 4.18Å; L313-I325 HydrophobicContact CG-CG2 4.23Å; F316-I325 HydrophobicContact CE2-CD1 4.15Å; I325-V341 HydrophobicContact CD1-CG1 3.8Å; I325-V341 HydrophobicContact CG1-CG1 4.03Å; I325-D342 CarbonylContact C-O 3.48Å; I325-D342 VanDerWaalsContact CA-O 3.28Å; I325-D342 WeakPolarHBondContact CA-O 3.42Å; I325-L343 HydrophobicContact CD1-CD2 4.07Å; I325-L343 HydrophobicContact CD1-CG 4.34Å; I325-L343 HydrophobicContact CG1-CD2 4.45Å; I325-L343 HydrophobicContact CG1-CG 4.24Å |
| 326 | C | 97.8 | Very high | 94.9 | Very high | 74 Ų | 74 | 38 Ų | 38 | 50% | 0.5 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 143.6 | 161.3 | -170.4 | 0 | 0 | 0 | 0 | 108 | V341 D342 | C326-V341 CarbonylContact O-C 3.58Å; C326-V341 WeakPolarHBondContact O-CA 3.44Å; C326-D342 HydrophobicContact CB-CB 4.29Å; C326-D342 PolarHBondContact N-O 2.96Å; C326-D342 PolarHBondContact O-N 3.03Å |
| 327 | A | 98.1 | Very high | 94.8 | Very high | 13 Ų | 13 | 38.1 Ų | 38.1 | 11% | 0.107 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 128.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110 | S301 L304 F339 C340 V341 | S301-A327 WeakPolarHBondContact CB-O 3.45Å; L304-A327 HydrophobicContact CB-CB 3.8Å; A327-F339 HydrophobicContact CB-CE1 4.32Å; A327-C340 VanDerWaalsContact CA-O 3.29Å; A327-C340 WeakPolarHBondContact CA-O 3.27Å; A327-V341 HydrophobicContact CB-CG2 4.35Å |
| 328 | G | 97.3 | Very high | 94.9 | Very high | 18 Ų | 18 | 36.9 Ų | 36.9 | 19% | 0.186 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -172.8 | 152.7 | -167.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | S301 C340 | S301-G328 WeakPolarHBondContact OG-CA 3.34Å; G328-C340 PolarHBondContact N-O 2.96Å; G328-C340 PolarHBondContact O-N 2.88Å |
| 329 | P | 96.1 | Very high | 95.2 | Very high | 57 Ų | 57 | 30.4 Ų | 30.4 | 37% | 0.37 | 17% | 0.167 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 141.2 | 160.3 | 33.5 | -34.7 | 0 | 0 | 0 | 109.7 | A297 S301 S338 | A297-P329 HydrophobicContact CB-CB 4.02Å; A297-P329 HydrophobicContact CB-CG 3.71Å; S301-P329 WeakPolarHBondContact OG-CD 3.44Å; P329-S338 CarbonylContact C-O 3.44Å; P329-S338 WeakPolarHBondContact CA-O 3.38Å |
| 330 | R | 94.5 | Very high | 95.4 | Very high | 78 Ų | 78 | 26.6 Ų | 26.6 | 29% | 0.294 | 15% | 0.154 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 111.5 | 166.6 | 177.7 | 168 | 51.1 | 121.3 | 2.7 | 107.7 | E171 L332 S337 S338 | E171-R330 IonicContact OE1-CZ 3.39Å; E171-R330 IonicContact OE1-NH1 2.68Å; E171-R330 IonicContact OE1-NH2 3.22Å; E171-R330 PolarHBondContact OE1-NH2 2.85Å; E171-R330 IonicContact OE2-CZ 3.27Å; E171-R330 VanDerWaalsContact OE2-CZ 3.25Å; E171-R330 IonicContact OE2-NH1 3.59Å; E171-R330 PolarHBondContact OE2-NH1 2.84Å; E171-R330 IonicContact OE2-NH2 2.65Å; E171-R330 PolarHBondContact OE2-NH2 3.44Å; R330-L332 HydrophobicContact CG-CD2 4.01Å; R330-L332 PolarHBondContact O-N 2.72Å; R330-S337 WeakPolarHBondContact O-CB 3.48Å; R330-S338 PolarHBondContact N-O 3.3Å; R330-S338 PolarHBondContact O-N 2.8Å |
| 331 | N | 91.5 | Very high | 95.6 | Very high | 87 Ų | 87 | 26.1 Ų | 26.1 | 47% | 0.465 | 15% | 0.149 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 125 | 171.3 | -71.2 | 5.2 | 0 | 0 | 0 | 108.2 | T289 S337 | T289-N331 PolarHBondContact OG1-ND2 2.67Å; N331-S337 PolarHBondContact OD1-OG 2.85Å |
| 332 | L | 93.4 | Very high | 95.7 | Very high | 11 Ų | 11 | 27.1 Ų | 27.1 | 6% | 0.058 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | -45.5 | -178.3 | -65.9 | -180 | 0 | 0 | 0 | 111 | T110 Y181 R330 F336 | T110-L332 VanDerWaalsContact CB-O 3.28Å; T110-L332 WeakPolarHBondContact CB-O 3.18Å; T110-L332 WeakPolarHBondContact CG2-O 3.44Å; T110-L332 PolarHBondContact OG1-O 2.66Å; Y181-L332 HydrophobicContact CE1-CD1 4.27Å; Y181-L332 HydrophobicContact CE2-CB 4.17Å; Y181-L332 HydrophobicContact CE2-CD1 4.38Å; Y181-L332 HydrophobicContact CE2-CD2 4.37Å; Y181-L332 WeakPolarHBondContact OH-CD2 3.23Å; R330-L332 HydrophobicContact CG-CD2 4.01Å; R330-L332 PolarHBondContact O-N 2.72Å; L332-F336 HydrophobicContact CB-CD2 3.85Å; L332-F336 HydrophobicContact CB-CE2 3.43Å; L332-F336 VanDerWaalsContact CB-CE2 3.43Å; L332-F336 HydrophobicContact CB-CZ 4.1Å; L332-F336 HydrophobicContact CD1-CD2 4.01Å; L332-F336 HydrophobicContact CD1-CE2 3.83Å; L332-F336 HydrophobicContact CG-CE2 4.28Å |
| 333 | A | 94.3 | Very high | 95.8 | Very high | 4 Ų | 4 | 27.3 Ų | 27.3 | 3% | 0.033 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.9 | 168 | 163.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | L63 D111 W254 G335 F336 | L63-A333 HydrophobicContact CD1-CB 3.53Å; D111-A333 HydrophobicContact CB-CB 3.93Å; D111-A333 VanDerWaalsContact OD2-CA 3.31Å; D111-A333 WeakPolarHBondContact OD2-CA 3.24Å; W254-A333 HydrophobicContact CE3-CB 3.81Å; W254-A333 HydrophobicContact CZ3-CB 3.89Å; A333-G335 PolarHBondContact O-N 3.49Å; A333-F336 HydrophobicContact CB-CD1 4.48Å; A333-F336 HydrophobicContact CB-CE1 3.71Å; A333-F336 HydrophobicContact CB-CZ 3.98Å; A333-F336 PolarHBondContact O-N 2.95Å |
| 334 | R | 92.6 | Very high | 96 | Very high | 85 Ų | 85 | 28.5 Ų | 28.5 | 32% | 0.321 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | 122.2 | 177.8 | -173.5 | 166.5 | 175.3 | -114.4 | -1.1 | 112.7 | D111 R251 F252 S253 W254 | D111-R334 PolarHBondContact OD2-N 2.74Å; R251-R334 PolarHBondContact O-NH1 2.98Å; F252-R334 PolarHBondContact O-NH1 2.97Å; S253-R334 WeakPolarHBondContact CA-O 3.44Å; W254-R334 PolarHBondContact N-O 3.07Å |
| 335 | G | 93.2 | Very high | 96.1 | Very high | 14 Ų | 14 | 26.1 Ų | 26.1 | 14% | 0.144 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 105 | -29.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | W254 D287 A333 | W254-G335 CarbonylContact O-C 3.56Å; W254-G335 VanDerWaalsContact O-C 3.29Å; W254-G335 WeakPolarHBondContact O-CA 3.2Å; D287-G335 VanDerWaalsContact CB-C 3.43Å; D287-G335 PolarHBondContact N-O 3.19Å; D287-G335 PolarHBondContact OD2-N 3.16Å; A333-G335 PolarHBondContact O-N 3.49Å |
| 336 | F | 94.9 | Very high | 96 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 152.1 | 177.5 | 71.7 | -80.6 | 0 | 0 | 0 | 113.4 | H179 Y181 W254 P258 L332 A333 | H179-F336 AromaticContact CE1-CE1 3.87Å; Y181-F336 HydrophobicContact CD1-CE2 4.32Å; Y181-F336 AromaticContact CD2-CE2 3.9Å; Y181-F336 HydrophobicContact CD2-CE2 3.9Å; Y181-F336 AromaticContact CD2-CZ 3.73Å; Y181-F336 HydrophobicContact CD2-CZ 3.73Å; Y181-F336 HydrophobicContact CE2-CE2 4.33Å; Y181-F336 HydrophobicContact CE2-CZ 4.49Å; Y181-F336 AromaticContact CG-CE2 3.92Å; Y181-F336 HydrophobicContact CG-CE2 3.92Å; Y181-F336 AromaticContact CG-CZ 3.87Å; Y181-F336 HydrophobicContact CG-CZ 3.87Å; W254-F336 HydrophobicContact CB-CD1 3.64Å; W254-F336 HydrophobicContact CB-CE1 3.66Å; W254-F336 HydrophobicContact CD2-CE1 4.41Å; W254-F336 HydrophobicContact CE3-CE1 4.47Å; W254-F336 HydrophobicContact CG-CE1 4.09Å; P258-F336 HydrophobicContact CB-CE2 4.37Å; P258-F336 HydrophobicContact CG-CD2 3.73Å; P258-F336 HydrophobicContact CG-CE2 3.86Å; L332-F336 HydrophobicContact CB-CD2 3.85Å; L332-F336 HydrophobicContact CB-CE2 3.43Å; L332-F336 VanDerWaalsContact CB-CE2 3.43Å; L332-F336 HydrophobicContact CB-CZ 4.1Å; L332-F336 HydrophobicContact CD1-CD2 4.01Å; L332-F336 HydrophobicContact CD1-CE2 3.83Å; L332-F336 HydrophobicContact CG-CE2 4.28Å; A333-F336 HydrophobicContact CB-CD1 4.48Å; A333-F336 HydrophobicContact CB-CE1 3.71Å; A333-F336 HydrophobicContact CB-CZ 3.98Å; A333-F336 PolarHBondContact O-N 2.95Å |
| 337 | S | 95.3 | Very high | 95.8 | Very high | 2 Ų | 2 | 27.5 Ų | 27.5 | 1% | 0.014 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 174.4 | -177.7 | -64.8 | 0 | 0 | 0 | 0 | 109.9 | I285 R330 N331 | I285-S337 WeakPolarHBondContact CG1-O 3.39Å; I285-S337 PolarHBondContact N-O 2.63Å; I285-S337 PolarHBondContact O-N 3.48Å; I285-S337 VanDerWaalsContact O-O 3.06Å; R330-S337 WeakPolarHBondContact O-CB 3.48Å; N331-S337 PolarHBondContact OD1-OG 2.85Å |
| 338 | S | 96.1 | Very high | 95.7 | Very high | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.007 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 139.7 | 173.7 | -172.1 | 0 | 0 | 0 | 0 | 109.8 | Y282 F283 P329 R330 | Y282-S338 WeakPolarHBondContact CB-OG 3.26Å; F283-S338 CarbonylContact O-C 3.57Å; F283-S338 WeakPolarHBondContact O-CA 3.4Å; P329-S338 CarbonylContact C-O 3.44Å; P329-S338 WeakPolarHBondContact CA-O 3.38Å; R330-S338 PolarHBondContact N-O 3.3Å; R330-S338 PolarHBondContact O-N 2.8Å |
| 339 | F | 98.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 117.4 | 160.6 | -165.5 | -75.5 | 0 | 0 | 0 | 107.9 | F283 I285 A297 P300 S301 L304 A327 V341 L433 M437 | F283-F339 HydrophobicContact CB-CB 4.33Å; F283-F339 PolarHBondContact N-O 2.99Å; F283-F339 PolarHBondContact O-N 3.25Å; I285-F339 HydrophobicContact CD1-CB 4.29Å; A297-F339 HydrophobicContact CB-CE2 4.42Å; P300-F339 HydrophobicContact CB-CE2 4.01Å; P300-F339 HydrophobicContact CB-CZ 4.02Å; S301-F339 VanDerWaalsContact OG-CE2 3.25Å; S301-F339 WeakPolarHBondContact OG-CE2 3.29Å; S301-F339 WeakPolarHBondContact OG-CZ 3.35Å; L304-F339 HydrophobicContact CD1-CE1 3.95Å; L304-F339 HydrophobicContact CD1-CZ 4.18Å; A327-F339 HydrophobicContact CB-CE1 4.32Å; F339-V341 HydrophobicContact CD1-CG2 4.35Å; F339-V341 HydrophobicContact CE1-CG2 4.09Å; F339-L433 HydrophobicContact CD2-CD1 4.34Å; F339-L433 HydrophobicContact CD2-CD2 4.19Å; F339-L433 HydrophobicContact CE2-CD2 4.38Å; F339-M437 HydrophobicContact CD1-CE 3.44Å; F339-M437 VanDerWaalsContact CD1-CE 3.44Å; F339-M437 HydrophobicContact CD1-SD 4.28Å; F339-M437 HydrophobicContact CD2-SD 4.42Å; F339-M437 HydrophobicContact CE1-CE 3.47Å; F339-M437 VanDerWaalsContact CE1-CE 3.47Å; F339-M437 HydrophobicContact CE1-SD 4.47Å; F339-M437 HydrophobicContact CG-CE 4Å; F339-M437 HydrophobicContact CG-SD 4.25Å; F339-M437 HydrophobicContact CZ-CE 4.04Å |
| 340 | C | 98.2 | Very high | 95.7 | Very high | 6 Ų | 6 | 26.5 Ų | 26.5 | 4% | 0.041 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 141.3 | -177.2 | -62.1 | 0 | 0 | 0 | 0 | 110.6 | I281 Y282 A327 G328 | I281-C340 CarbonylContact O-C 3.5Å; I281-C340 WeakPolarHBondContact O-CA 3.45Å; Y282-C340 HydrophobicContact CD1-CB 3.92Å; Y282-C340 WeakPolarHBondContact CD1-SG 3.22Å; Y282-C340 HydrophobicContact CE1-CB 4.05Å; A327-C340 VanDerWaalsContact CA-O 3.29Å; A327-C340 WeakPolarHBondContact CA-O 3.27Å; G328-C340 PolarHBondContact N-O 2.96Å; G328-C340 PolarHBondContact O-N 2.88Å |
| 341 | V | 98.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 108.9 | 160.3 | -171.9 | 0 | 0 | 0 | 0 | 107.4 | I281 I325 C326 A327 F339 L343 V360 | I281-V341 HydrophobicContact CB-CB 4.3Å; I281-V341 PolarHBondContact N-O 3.38Å; I281-V341 PolarHBondContact O-N 3.01Å; I325-V341 HydrophobicContact CD1-CG1 3.8Å; I325-V341 HydrophobicContact CG1-CG1 4.03Å; C326-V341 CarbonylContact O-C 3.58Å; C326-V341 WeakPolarHBondContact O-CA 3.44Å; A327-V341 HydrophobicContact CB-CG2 4.35Å; F339-V341 HydrophobicContact CD1-CG2 4.35Å; F339-V341 HydrophobicContact CE1-CG2 4.09Å; V341-L343 HydrophobicContact CG1-CD1 3.96Å; V341-L343 HydrophobicContact CG1-CG 4.45Å; V341-L343 WeakPolarHBondContact O-CD1 3.43Å; V341-V360 HydrophobicContact CG1-CG1 4.49Å; V341-V360 HydrophobicContact CG2-CG1 4.43Å |
| 342 | D | 98.4 | Very high | 96.2 | Very high | 45 Ų | 45 | 28.9 Ų | 28.9 | 24% | 0.241 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 131.3 | -175.6 | -57.4 | -60 | 0 | 0 | 0 | 110.2 | H280 I325 C326 | H280-D342 IonicContact CE1-OD1 3.74Å; H280-D342 IonicContact CG-OD1 3.75Å; H280-D342 IonicContact ND1-OD1 2.64Å; H280-D342 PolarHBondContact ND1-OD1 3.32Å; I325-D342 CarbonylContact C-O 3.48Å; I325-D342 VanDerWaalsContact CA-O 3.28Å; I325-D342 WeakPolarHBondContact CA-O 3.42Å; C326-D342 HydrophobicContact CB-CB 4.29Å; C326-D342 PolarHBondContact N-O 2.96Å; C326-D342 PolarHBondContact O-N 3.03Å |
| 343 | L | 98.5 | Very high | 96.4 | Very high | 5 Ų | 5 | 28.6 Ų | 28.6 | 3% | 0.026 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 138 | -173.9 | -52.3 | 95.4 | 0 | 0 | 0 | 111.3 | S278 M279 I281 F316 V322 S324 I325 V341 L345 I356 | S278-L343 CarbonylContact C-O 3.57Å; S278-L343 VanDerWaalsContact CA-O 3.29Å; S278-L343 WeakPolarHBondContact CA-O 3.21Å; S278-L343 WeakPolarHBondContact CB-O 3.47Å; M279-L343 HydrophobicContact CB-CB 4.42Å; M279-L343 HydrophobicContact CB-CD1 4.42Å; M279-L343 HydrophobicContact CE-CD1 3.75Å; M279-L343 HydrophobicContact CE-CD2 4.26Å; M279-L343 HydrophobicContact CE-CG 4.5Å; M279-L343 PolarHBondContact N-O 2.9Å; M279-L343 PolarHBondContact O-N 3Å; I281-L343 HydrophobicContact CD1-CD1 4.45Å; I281-L343 HydrophobicContact CG1-CD1 4.41Å; F316-L343 HydrophobicContact CD2-CD2 4.22Å; F316-L343 HydrophobicContact CE2-CD2 3.72Å; F316-L343 HydrophobicContact CZ-CD2 4.26Å; V322-L343 HydrophobicContact CG1-CB 3.86Å; V322-L343 HydrophobicContact CG1-CD2 4.19Å; V322-L343 HydrophobicContact CG2-CB 4.46Å; V322-L343 HydrophobicContact CG2-CD2 3.99Å; S324-L343 WeakPolarHBondContact O-CA 3.34Å; I325-L343 HydrophobicContact CD1-CD2 4.07Å; I325-L343 HydrophobicContact CD1-CG 4.34Å; I325-L343 HydrophobicContact CG1-CD2 4.45Å; I325-L343 HydrophobicContact CG1-CG 4.24Å; V341-L343 HydrophobicContact CG1-CD1 3.96Å; V341-L343 HydrophobicContact CG1-CG 4.45Å; V341-L343 WeakPolarHBondContact O-CD1 3.43Å; L343-L345 HydrophobicContact CB-CD2 4.37Å; L343-I356 HydrophobicContact CD2-CG2 3.8Å |
| 344 | D | 96.6 | Very high | 96.5 | Very high | 33 Ų | 33 | 32.4 Ų | 32.4 | 18% | 0.176 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 110.2 | 176.7 | -168.4 | -40.4 | 0 | 0 | 0 | 110.3 | V322 S323 S324 R630 | V322-D344 WeakPolarHBondContact CA-O 3.39Å; V322-D344 WeakPolarHBondContact CG1-O 3.47Å; S323-D344 PolarHBondContact N-O 2.93Å; S323-D344 PolarHBondContact OG-O 3.01Å; S323-D344 VanDerWaalsContact OG-O 3.13Å; S324-D344 PolarHBondContact O-N 3.4Å; S324-D344 VanDerWaalsContact O-N 3.09Å; S324-D344 WeakPolarHBondContact OG-CB 3.37Å; D344-R630 IonicContact OD1-CZ 3.98Å; D344-R630 IonicContact OD1-NH1 3.95Å; D344-R630 PolarHBondContact OD1-NH1 3.38Å; D344-R630 IonicContact OD1-NH2 3.61Å; D344-R630 IonicContact OD2-CZ 2.71Å; D344-R630 IonicContact OD2-NH1 3.25Å; D344-R630 PolarHBondContact OD2-NH1 2.81Å; D344-R630 IonicContact OD2-NH2 3.83Å; D344-R630 PolarHBondContact OD2-NH2 2.98Å |
| 345 | L | 97.9 | Very high | 96.7 | Very high | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 147.8 | -165.6 | -56.8 | -173.4 | 0 | 0 | 0 | 113.2 | R277 M279 V322 L343 L350 V353 I356 | R277-L345 HydrophobicContact CB-CB 3.98Å; R277-L345 PolarHBondContact O-N 3.36Å; M279-L345 HydrophobicContact CB-CD1 4.08Å; M279-L345 HydrophobicContact CB-CD2 4.11Å; M279-L345 HydrophobicContact CB-CG 4.18Å; V322-L345 HydrophobicContact CG2-CD2 4.01Å; L343-L345 HydrophobicContact CB-CD2 4.37Å; L345-L350 HydrophobicContact CD1-CB 4.47Å; L345-L350 HydrophobicContact CD1-CD1 4.33Å; L345-V353 HydrophobicContact CD1-CG2 4.23Å; L345-I356 HydrophobicContact CD2-CD1 3.91Å |
| 346 | T | 95.5 | Very high | 97 | Very high | 6 Ų | 6 | 31.4 Ų | 31.4 | 4% | 0.037 | 16% | 0.159 | C | C | . | . | trans | -82.8 | 176.6 | 162.2 | 70.2 | 0 | 0 | 0 | 0 | 110.7 | G320 W321 A348 G349 L350 W626 | G320-T346 WeakPolarHBondContact O-CB 3.43Å; G320-T346 VanDerWaalsContact O-CG2 3.29Å; G320-T346 WeakPolarHBondContact O-CG2 3.32Å; G320-T346 PolarHBondContact O-OG1 3.21Å; W321-T346 PolarHBondContact O-N 2.93Å; W321-T346 PolarHBondContact O-OG1 3.31Å; T346-A348 PolarHBondContact OG1-N 2.82Å; T346-G349 PolarHBondContact O-N 3.04Å; T346-G349 PolarHBondContact OG1-N 3.45Å; T346-L350 PolarHBondContact O-N 3Å; T346-L350 VanDerWaalsContact O-N 3.09Å; T346-W626 HydrophobicContact CG2-CB 3.6Å; T346-W626 HydrophobicContact CG2-CD2 4.22Å; T346-W626 HydrophobicContact CG2-CG 3.73Å | ||
| 347 | E | 93.4 | Very high | 97.2 | Very high | 112 Ų | 112 | 31.4 Ų | 31.4 | 52% | 0.523 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -59.6 | -48.2 | 170 | -69.3 | -173.1 | 144.4 | 0 | 0 | 111.5 | R277 G349 L350 E351 E629 | R277-E347 IonicContact CZ-OE1 2.78Å; R277-E347 VanDerWaalsContact NH2-CG 3.28Å; R277-E347 IonicContact NH2-OE1 3.69Å; R277-E347 PolarHBondContact NH2-OE1 2.86Å; E347-G349 VanDerWaalsContact C-N 3.28Å; E347-G349 PolarHBondContact O-N 3.36Å; E347-L350 WeakPolarHBondContact O-CB 3.03Å; E347-L350 PolarHBondContact O-N 2.91Å; E347-E351 PolarHBondContact O-N 3.23Å; E347-E629 HydrophobicContact CG-CG 4.37Å |
| 348 | A | 95 | Very high | 97.3 | Very high | 41 Ų | 41 | 34.4 Ų | 34.4 | 34% | 0.339 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -61.1 | -36.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | T346 L350 E351 H352 | T346-A348 PolarHBondContact OG1-N 2.82Å; A348-L350 VanDerWaalsContact C-N 3.32Å; A348-L350 PolarHBondContact O-N 3.01Å; A348-E351 PolarHBondContact O-N 3.3Å; A348-H352 PolarHBondContact O-N 3.4Å; A348-H352 PolarHBondContact O-ND1 3.37Å |
| 349 | G | 97.2 | Very high | 97.3 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65 | -33.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | W321 T346 E347 E351 H352 V353 I356 | W321-G349 WeakPolarHBondContact O-CA 3.27Å; T346-G349 PolarHBondContact O-N 3.04Å; T346-G349 PolarHBondContact OG1-N 3.45Å; E347-G349 VanDerWaalsContact C-N 3.28Å; E347-G349 PolarHBondContact O-N 3.36Å; G349-E351 VanDerWaalsContact C-N 3.27Å; G349-E351 PolarHBondContact O-N 3.06Å; G349-H352 CarbonylContact O-C 3.29Å; G349-H352 PolarHBondContact O-N 2.9Å; G349-V353 PolarHBondContact O-N 3.45Å; G349-I356 VanDerWaalsContact O-CD1 3.26Å; G349-I356 WeakPolarHBondContact O-CD1 3.41Å |
| 350 | L | 97 | Very high | 97.3 | Very high | 26 Ų | 26 | 34.6 Ų | 34.6 | 14% | 0.136 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -66.7 | -28.8 | 175.7 | -178.1 | 65.1 | 0 | 0 | 0 | 112.6 | L345 T346 E347 A348 V353 V446 S448 T450 F451 | L345-L350 HydrophobicContact CD1-CB 4.47Å; L345-L350 HydrophobicContact CD1-CD1 4.33Å; T346-L350 PolarHBondContact O-N 3Å; T346-L350 VanDerWaalsContact O-N 3.09Å; E347-L350 WeakPolarHBondContact O-CB 3.03Å; E347-L350 PolarHBondContact O-N 2.91Å; A348-L350 VanDerWaalsContact C-N 3.32Å; A348-L350 PolarHBondContact O-N 3.01Å; L350-V353 WeakPolarHBondContact O-CG2 3.26Å; L350-V446 HydrophobicContact CD1-CG1 3.84Å; L350-S448 WeakPolarHBondContact CD2-OG 3.34Å; L350-T450 HydrophobicContact CD2-CG2 3.88Å; L350-F451 HydrophobicContact CD1-CZ 4.48Å |
| 351 | E | 97.1 | Very high | 97.3 | Very high | 160 Ų | 160 | 34.3 Ų | 34.3 | 75% | 0.748 | 17% | 0.171 | S | C | * | . | H | α-helix | trans | -77.4 | -22.4 | 174.4 | -62.7 | -178 | 161 | 0 | 0 | 112.9 | E347 A348 G349 | E347-E351 PolarHBondContact O-N 3.23Å; A348-E351 PolarHBondContact O-N 3.3Å; G349-E351 VanDerWaalsContact C-N 3.27Å; G349-E351 PolarHBondContact O-N 3.06Å |
| 352 | H | 97.8 | Very high | 97.3 | Very high | 55 Ų | 55 | 35.1 Ų | 35.1 | 26% | 0.255 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -113.7 | 32.1 | -174 | -61.8 | 79.8 | 0 | 0 | 0 | 113 | W321 A348 G349 E354 E355 I356 | W321-H352 HydrophobicContact CD2-CB 4.1Å; W321-H352 AromaticContact CE2-CD2 3.86Å; W321-H352 AromaticContact CE2-CG 3.63Å; W321-H352 HydrophobicContact CE3-CB 4.47Å; W321-H352 HydrophobicContact CH2-CB 4.14Å; W321-H352 HydrophobicContact CZ2-CB 3.8Å; W321-H352 AromaticContact CZ2-CD2 3.33Å; W321-H352 WeakPolarHBondContact CZ2-CD2 3.48Å; W321-H352 AromaticContact CZ2-CG 3.57Å; W321-H352 AromaticContact CZ2-NE2 3.99Å; W321-H352 HydrophobicContact CZ3-CB 4.47Å; W321-H352 AromaticContact NE1-CG 3.65Å; W321-H352 AromaticContact NE1-ND1 3.64Å; A348-H352 PolarHBondContact O-N 3.4Å; A348-H352 PolarHBondContact O-ND1 3.37Å; G349-H352 CarbonylContact O-C 3.29Å; G349-H352 PolarHBondContact O-N 2.9Å; H352-E354 VanDerWaalsContact C-N 3.3Å; H352-E354 PolarHBondContact O-N 2.9Å; H352-E355 VanDerWaalsContact C-OE2 3.26Å; H352-E355 VanDerWaalsContact CA-OE2 3.22Å; H352-E355 WeakPolarHBondContact CA-OE2 3.49Å; H352-E355 HydrophobicContact CB-CB 4.46Å; H352-E355 IonicContact CD2-OE1 3.79Å; H352-E355 PolarHBondContact CD2-OE1 3.02Å; H352-E355 PolarHBondContact O-N 3.14Å; H352-I356 VanDerWaalsContact O-CG1 3.24Å; H352-I356 WeakPolarHBondContact O-CG1 3.4Å; H352-I356 PolarHBondContact O-N 3.12Å |
| 353 | V | 98 | Very high | 97.2 | Very high | 4 Ų | 4 | 33.3 Ų | 33.3 | 2% | 0.024 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -54.7 | -43.2 | -177.1 | 160.3 | 0 | 0 | 0 | 0 | 112.3 | M279 L345 G349 L350 I356 V357 L444 V446 | M279-V353 HydrophobicContact SD-CB 4.44Å; M279-V353 HydrophobicContact SD-CG1 3.86Å; M279-V353 HydrophobicContact SD-CG2 4.37Å; L345-V353 HydrophobicContact CD1-CG2 4.23Å; G349-V353 PolarHBondContact O-N 3.45Å; L350-V353 WeakPolarHBondContact O-CG2 3.26Å; V353-I356 PolarHBondContact O-N 2.97Å; V353-V357 VanDerWaalsContact O-CG2 3.32Å; V353-V357 WeakPolarHBondContact O-CG2 3.21Å; V353-V357 PolarHBondContact O-N 3.16Å; V353-L444 HydrophobicContact CG1-CD2 4.24Å; V353-V446 HydrophobicContact CG1-CG2 4.07Å; V353-V446 HydrophobicContact CG2-CG1 4.21Å |
| 354 | E | 97.2 | Very high | 97.1 | Very high | 84 Ų | 84 | 33 Ų | 33 | 39% | 0.393 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -68.8 | -39.1 | -178.2 | -74.4 | -169.6 | -174.5 | 0 | 0 | 111.7 | H352 V357 Q358 F475 | H352-E354 VanDerWaalsContact C-N 3.3Å; H352-E354 PolarHBondContact O-N 2.9Å; E354-V357 PolarHBondContact O-N 3.02Å; E354-Q358 PolarHBondContact O-N 3.12Å; E354-F475 HydrophobicContact CB-CD2 4.14Å; E354-F475 HydrophobicContact CB-CE2 3.49Å; E354-F475 VanDerWaalsContact CB-CE2 3.49Å; E354-F475 HydrophobicContact CB-CZ 3.8Å; E354-F475 HydrophobicContact CG-CD2 4.25Å; E354-F475 HydrophobicContact CG-CE1 4.28Å; E354-F475 HydrophobicContact CG-CE2 3.87Å; E354-F475 HydrophobicContact CG-CZ 3.87Å; E354-F475 WeakPolarHBondContact O-CE2 3.27Å |
| 355 | E | 97.5 | Very high | 97.1 | Very high | 79 Ų | 79 | 32.3 Ų | 32.3 | 37% | 0.369 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -70.2 | -33.9 | 176.3 | -59.9 | 95.8 | 135.7 | 0 | 0 | 113 | W321 H352 Q358 L359 | W321-E355 HydrophobicContact CH2-CB 3.68Å; W321-E355 HydrophobicContact CH2-CG 4.37Å; W321-E355 HydrophobicContact CZ3-CB 3.79Å; H352-E355 VanDerWaalsContact C-OE2 3.26Å; H352-E355 VanDerWaalsContact CA-OE2 3.22Å; H352-E355 WeakPolarHBondContact CA-OE2 3.49Å; H352-E355 HydrophobicContact CB-CB 4.46Å; H352-E355 IonicContact CD2-OE1 3.79Å; H352-E355 PolarHBondContact CD2-OE1 3.02Å; H352-E355 PolarHBondContact O-N 3.14Å; E355-Q358 PolarHBondContact O-N 3.47Å; E355-L359 WeakPolarHBondContact O-CG 3.48Å; E355-L359 PolarHBondContact O-N 2.92Å |
| 356 | I | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -65.7 | -45.2 | 172.7 | -62.5 | 162.9 | 0 | 0 | 0 | 109.6 | M279 F316 W321 V322 L343 L345 G349 H352 V353 L359 V360 | M279-I356 HydrophobicContact CE-CB 3.93Å; M279-I356 HydrophobicContact CE-CG2 3.36Å; F316-I356 HydrophobicContact CD1-CG2 4.21Å; F316-I356 HydrophobicContact CE1-CB 4.22Å; F316-I356 HydrophobicContact CE1-CG1 4.44Å; F316-I356 HydrophobicContact CE1-CG2 3.63Å; F316-I356 HydrophobicContact CE2-CG2 4.39Å; F316-I356 HydrophobicContact CZ-CG2 3.75Å; W321-I356 HydrophobicContact CB-CD1 4Å; W321-I356 HydrophobicContact CB-CG1 4.21Å; W321-I356 HydrophobicContact CD2-CG1 4.26Å; W321-I356 HydrophobicContact CE3-CG1 3.67Å; W321-I356 HydrophobicContact CZ3-CG1 4.32Å; V322-I356 HydrophobicContact CG2-CD1 4.15Å; V322-I356 HydrophobicContact CG2-CG2 4.08Å; L343-I356 HydrophobicContact CD2-CG2 3.8Å; L345-I356 HydrophobicContact CD2-CD1 3.91Å; G349-I356 VanDerWaalsContact O-CD1 3.26Å; G349-I356 WeakPolarHBondContact O-CD1 3.41Å; H352-I356 VanDerWaalsContact O-CG1 3.24Å; H352-I356 WeakPolarHBondContact O-CG1 3.4Å; H352-I356 PolarHBondContact O-N 3.12Å; V353-I356 PolarHBondContact O-N 2.97Å; I356-L359 PolarHBondContact O-N 3.11Å; I356-V360 WeakPolarHBondContact O-CG2 3.47Å; I356-V360 PolarHBondContact O-N 2.87Å |
| 357 | V | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -61.5 | -43.4 | 175.3 | 170 | 0 | 0 | 0 | 0 | 111.1 | M279 I281 V353 E354 L359 V360 F361 M442 L444 F475 | M279-V357 HydrophobicContact CE-CG2 3.79Å; M279-V357 HydrophobicContact SD-CG2 3.87Å; I281-V357 HydrophobicContact CD1-CG2 3.99Å; V353-V357 VanDerWaalsContact O-CG2 3.32Å; V353-V357 WeakPolarHBondContact O-CG2 3.21Å; V353-V357 PolarHBondContact O-N 3.16Å; E354-V357 PolarHBondContact O-N 3.02Å; V357-L359 VanDerWaalsContact C-N 3.33Å; V357-L359 PolarHBondContact O-N 3.34Å; V357-V360 PolarHBondContact O-N 3.41Å; V357-V360 VanDerWaalsContact O-N 3.16Å; V357-F361 HydrophobicContact CG1-CD2 3.88Å; V357-F361 HydrophobicContact CG1-CE2 3.73Å; V357-F361 VanDerWaalsContact O-CD2 3.28Å; V357-F361 WeakPolarHBondContact O-CD2 3.43Å; V357-F361 PolarHBondContact O-N 3.44Å; V357-M442 HydrophobicContact CG1-CE 4.31Å; V357-M442 HydrophobicContact CG1-SD 4.13Å; V357-L444 HydrophobicContact CG2-CD1 3.72Å; V357-L444 HydrophobicContact CG2-CD2 3.98Å; V357-F475 HydrophobicContact CB-CZ 3.99Å; V357-F475 HydrophobicContact CG1-CE1 4.12Å; V357-F475 HydrophobicContact CG1-CZ 3.77Å |
| 358 | Q | 97.7 | Very high | 96.9 | Very high | 65 Ų | 65 | 30.9 Ų | 30.9 | 30% | 0.304 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -58.1 | -44.5 | 174.7 | -173.6 | -171.9 | -49 | 0 | 0 | 111.5 | E354 E355 V360 F361 E362 A482 | E354-Q358 PolarHBondContact O-N 3.12Å; E355-Q358 PolarHBondContact O-N 3.47Å; Q358-V360 PolarHBondContact O-N 3.42Å; Q358-F361 CarbonylContact O-C 3.1Å; Q358-F361 WeakPolarHBondContact O-CA 3.19Å; Q358-F361 PolarHBondContact O-N 2.93Å; Q358-F361 VanDerWaalsContact O-N 3.12Å; Q358-E362 PolarHBondContact O-N 3.25Å; Q358-A482 HydrophobicContact CG-CB 4.03Å |
| 359 | L | 97.6 | Very high | 96.7 | Very high | 4 Ų | 4 | 33.9 Ų | 33.9 | 2% | 0.021 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.5 | -36.8 | 176 | -79.3 | 170.7 | 0 | 0 | 0 | 112.6 | L312 E315 F316 W321 E355 I356 V357 F361 E362 G363 | L312-L359 WeakPolarHBondContact CD2-O 3.45Å; E315-L359 HydrophobicContact CG-CD1 4.26Å; E315-L359 HydrophobicContact CG-CD2 4.39Å; F316-L359 HydrophobicContact CD1-CD1 3.95Å; F316-L359 HydrophobicContact CE1-CB 3.59Å; F316-L359 HydrophobicContact CE1-CD1 3.6Å; F316-L359 HydrophobicContact CE1-CG 4.26Å; F316-L359 HydrophobicContact CZ-CB 4.03Å; W321-L359 HydrophobicContact CE3-CD1 4.26Å; W321-L359 HydrophobicContact CZ3-CD1 3.81Å; E355-L359 WeakPolarHBondContact O-CG 3.48Å; E355-L359 PolarHBondContact O-N 2.92Å; I356-L359 PolarHBondContact O-N 3.11Å; V357-L359 VanDerWaalsContact C-N 3.33Å; V357-L359 PolarHBondContact O-N 3.34Å; L359-F361 VanDerWaalsContact C-N 3.3Å; L359-F361 PolarHBondContact O-N 2.85Å; L359-E362 WeakPolarHBondContact O-CB 3.34Å; L359-E362 PolarHBondContact O-N 3.49Å; L359-G363 PolarHBondContact O-N 2.85Å |
| 360 | V | 98.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.2 | -42.3 | 171.1 | 174.8 | 0 | 0 | 0 | 0 | 110.5 | I281 F316 V341 I356 V357 Q358 G363 I364 | I281-V360 HydrophobicContact CD1-CB 4.14Å; I281-V360 HydrophobicContact CD1-CG1 4.1Å; I281-V360 HydrophobicContact CD1-CG2 3.99Å; F316-V360 HydrophobicContact CE2-CG2 4.49Å; F316-V360 HydrophobicContact CZ-CG2 3.99Å; V341-V360 HydrophobicContact CG1-CG1 4.49Å; V341-V360 HydrophobicContact CG2-CG1 4.43Å; I356-V360 WeakPolarHBondContact O-CG2 3.47Å; I356-V360 PolarHBondContact O-N 2.87Å; V357-V360 PolarHBondContact O-N 3.41Å; V357-V360 VanDerWaalsContact O-N 3.16Å; Q358-V360 PolarHBondContact O-N 3.42Å; V360-G363 WeakPolarHBondContact O-CA 3.41Å; V360-G363 PolarHBondContact O-N 2.75Å; V360-G363 VanDerWaalsContact O-N 3.15Å; V360-I364 HydrophobicContact CG1-CD1 4.06Å; V360-I364 WeakPolarHBondContact O-CG1 3.39Å; V360-I364 PolarHBondContact O-N 3.21Å |
| 361 | F | 98.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -69.4 | -30.7 | 174.6 | -76.4 | -70.3 | 0 | 0 | 0 | 114 | F283 V357 Q358 L359 G363 I364 N365 P439 M442 C479 A482 | F283-F361 HydrophobicContact CE1-CE1 4.03Å; F283-F361 AromaticContact CE1-CZ 3.78Å; F283-F361 HydrophobicContact CE1-CZ 3.78Å; F283-F361 AromaticContact CZ-CE1 3.97Å; F283-F361 HydrophobicContact CZ-CE1 3.97Å; F283-F361 AromaticContact CZ-CZ 3.73Å; F283-F361 HydrophobicContact CZ-CZ 3.73Å; V357-F361 HydrophobicContact CG1-CD2 3.88Å; V357-F361 HydrophobicContact CG1-CE2 3.73Å; V357-F361 VanDerWaalsContact O-CD2 3.28Å; V357-F361 WeakPolarHBondContact O-CD2 3.43Å; V357-F361 PolarHBondContact O-N 3.44Å; Q358-F361 CarbonylContact O-C 3.1Å; Q358-F361 WeakPolarHBondContact O-CA 3.19Å; Q358-F361 PolarHBondContact O-N 2.93Å; Q358-F361 VanDerWaalsContact O-N 3.12Å; L359-F361 VanDerWaalsContact C-N 3.3Å; L359-F361 PolarHBondContact O-N 2.85Å; F361-G363 VanDerWaalsContact C-N 3.31Å; F361-I364 HydrophobicContact CD1-CD1 3.81Å; F361-I364 HydrophobicContact CE1-CD1 3.95Å; F361-I364 PolarHBondContact O-N 2.74Å; F361-N365 VanDerWaalsContact O-CB 3.27Å; F361-N365 WeakPolarHBondContact O-CB 3.38Å; F361-N365 PolarHBondContact O-N 2.69Å; F361-P439 HydrophobicContact CD1-CG 4.04Å; F361-P439 HydrophobicContact CD2-CG 4.33Å; F361-P439 HydrophobicContact CE1-CB 4.47Å; F361-P439 HydrophobicContact CE1-CG 3.71Å; F361-P439 HydrophobicContact CE2-CB 4.26Å; F361-P439 HydrophobicContact CE2-CG 4Å; F361-P439 HydrophobicContact CG-CG 4.35Å; F361-P439 HydrophobicContact CZ-CB 4.01Å; F361-P439 HydrophobicContact CZ-CG 3.7Å; F361-M442 HydrophobicContact CE2-CE 4.03Å; F361-M442 HydrophobicContact CE2-SD 4.05Å; F361-M442 HydrophobicContact CZ-CE 4.41Å; F361-M442 HydrophobicContact CZ-SD 4.32Å; F361-C479 HydrophobicContact CB-CB 4.24Å; F361-C479 WeakPolarHBondContact CB-O 3.32Å; F361-C479 HydrophobicContact CD2-CB 3.51Å; F361-C479 HydrophobicContact CE2-CB 4.04Å; F361-C479 HydrophobicContact CG-CB 3.92Å; F361-A482 HydrophobicContact CB-CB 4.44Å |
| 362 | E | 97.3 | Very high | 95 | Very high | 18 Ų | 18 | 32.3 Ų | 32.3 | 8% | 0.084 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -59 | -43.2 | 166.1 | -72.2 | -173 | -153.6 | 0 | 0 | 111.1 | Q358 L359 N365 L366 A482 K483 S485 L488 | Q358-E362 PolarHBondContact O-N 3.25Å; L359-E362 WeakPolarHBondContact O-CB 3.34Å; L359-E362 PolarHBondContact O-N 3.49Å; E362-N365 PolarHBondContact O-N 2.56Å; E362-L366 PolarHBondContact O-N 3.25Å; E362-A482 HydrophobicContact CG-CB 3.87Å; E362-K483 WeakPolarHBondContact CG-O 3.32Å; E362-S485 WeakPolarHBondContact OE2-CB 3.44Å; E362-S485 PolarHBondContact OE2-N 3.33Å; E362-S485 PolarHBondContact OE2-OG 3.49Å; E362-L488 HydrophobicContact CB-CD1 3.76Å |
| 363 | G | 96.5 | Very high | 94.6 | Very high | 6 Ų | 6 | 31.9 Ų | 31.9 | 6% | 0.062 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.8 | -46.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113 | L359 V360 F361 N365 L366 I367 | L359-G363 PolarHBondContact O-N 2.85Å; V360-G363 WeakPolarHBondContact O-CA 3.41Å; V360-G363 PolarHBondContact O-N 2.75Å; V360-G363 VanDerWaalsContact O-N 3.15Å; F361-G363 VanDerWaalsContact C-N 3.31Å; G363-N365 VanDerWaalsContact C-N 3.32Å; G363-N365 PolarHBondContact O-N 2.63Å; G363-L366 WeakPolarHBondContact O-CB 3.41Å; G363-L366 PolarHBondContact O-N 3.49Å; G363-I367 WeakPolarHBondContact O-CG1 3.49Å; G363-I367 PolarHBondContact O-N 3.31Å |
| 364 | I | 96.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.7 | -42.2 | 175.7 | -62.7 | 163.9 | 0 | 0 | 0 | 110.4 | F283 L304 V360 F361 L366 I367 R368 L434 M437 | F283-I364 HydrophobicContact CE2-CD1 4.35Å; F283-I364 HydrophobicContact CZ-CD1 4.12Å; L304-I364 HydrophobicContact CD1-CG1 4Å; L304-I364 HydrophobicContact CD2-CG1 3.98Å; V360-I364 HydrophobicContact CG1-CD1 4.06Å; V360-I364 WeakPolarHBondContact O-CG1 3.39Å; V360-I364 PolarHBondContact O-N 3.21Å; F361-I364 HydrophobicContact CD1-CD1 3.81Å; F361-I364 HydrophobicContact CE1-CD1 3.95Å; F361-I364 PolarHBondContact O-N 2.74Å; I364-L366 VanDerWaalsContact C-N 3.33Å; I364-L366 PolarHBondContact O-N 3.35Å; I364-I367 PolarHBondContact O-N 2.92Å; I364-R368 VanDerWaalsContact CG2-CZ 3.5Å; I364-R368 PolarHBondContact O-N 2.64Å; I364-R368 VanDerWaalsContact O-N 3.08Å; I364-L434 HydrophobicContact CG2-CD2 3.99Å; I364-M437 HydrophobicContact CD1-CB 4.33Å; I364-M437 HydrophobicContact CD1-CE 4.08Å; I364-M437 HydrophobicContact CG1-CE 4.15Å; I364-M437 HydrophobicContact CG2-CB 4.22Å |
| 365 | N | 96.1 | Very high | 94.3 | Very high | 17 Ų | 17 | 35.6 Ų | 35.6 | 9% | 0.091 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -69.9 | -26.5 | 177.4 | -77.5 | -20.9 | 0 | 0 | 0 | 113.1 | F361 E362 G363 R368 T369 K480 A482 P484 | F361-N365 VanDerWaalsContact O-CB 3.27Å; F361-N365 WeakPolarHBondContact O-CB 3.38Å; F361-N365 PolarHBondContact O-N 2.69Å; E362-N365 PolarHBondContact O-N 2.56Å; G363-N365 VanDerWaalsContact C-N 3.32Å; G363-N365 PolarHBondContact O-N 2.63Å; N365-R368 PolarHBondContact O-N 2.94Å; N365-R368 PolarHBondContact OD1-NH1 3.39Å; N365-T369 WeakPolarHBondContact O-CB 3.32Å; N365-T369 VanDerWaalsContact O-CG2 3.31Å; N365-T369 WeakPolarHBondContact O-CG2 3.19Å; N365-T369 PolarHBondContact O-N 2.78Å; N365-T369 PolarHBondContact O-OG1 2.92Å; N365-K480 PolarHBondContact ND2-O 3.06Å; N365-A482 WeakPolarHBondContact CB-O 3.3Å; N365-A482 PolarHBondContact ND2-O 3.18Å; N365-P484 HydrophobicContact CB-CG 4.46Å |
| 366 | L | 94.8 | Very high | 94.1 | Very high | 26 Ų | 26 | 32 Ų | 32 | 14% | 0.136 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.4 | -44.1 | 171.4 | -179.5 | 60.9 | 0 | 0 | 0 | 110.7 | E362 G363 I364 T369 R370 P484 L488 I490 | E362-L366 PolarHBondContact O-N 3.25Å; G363-L366 WeakPolarHBondContact O-CB 3.41Å; G363-L366 PolarHBondContact O-N 3.49Å; I364-L366 VanDerWaalsContact C-N 3.33Å; I364-L366 PolarHBondContact O-N 3.35Å; L366-T369 PolarHBondContact O-N 3.12Å; L366-T369 PolarHBondContact O-OG1 3.15Å; L366-R370 HydrophobicContact CD1-CB 4.49Å; L366-R370 VanDerWaalsContact O-CB 3.27Å; L366-R370 WeakPolarHBondContact O-CB 3.48Å; L366-R370 PolarHBondContact O-N 3.15Å; L366-P484 HydrophobicContact CB-CB 4Å; L366-P484 HydrophobicContact CB-CG 3.79Å; L366-P484 HydrophobicContact CD1-CB 3.99Å; L366-P484 HydrophobicContact CD1-CG 4.18Å; L366-L488 HydrophobicContact CD2-CB 4.08Å; L366-I490 HydrophobicContact CD2-CG1 4.26Å; L366-I490 HydrophobicContact CG-CG1 4.36Å |
| 367 | I | 94.7 | Very high | 93.9 | Very high | 4 Ų | 4 | 32.3 Ų | 32.3 | 2% | 0.021 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63.4 | -46.8 | 176.3 | -54.7 | 168.7 | 0 | 0 | 0 | 110.1 | L299 L303 L304 G363 I364 T369 G371 L434 | L299-I367 HydrophobicContact CD2-CG2 4.05Å; L303-I367 HydrophobicContact CB-CD1 3.94Å; L303-I367 HydrophobicContact CB-CG1 4.29Å; L303-I367 HydrophobicContact CD1-CD1 4.2Å; L303-I367 HydrophobicContact CD1-CG1 3.87Å; L303-I367 HydrophobicContact CD1-CG2 4.41Å; L304-I367 HydrophobicContact CD1-CD1 4.49Å; L304-I367 HydrophobicContact CD2-CD1 4.01Å; L304-I367 HydrophobicContact CG-CD1 3.96Å; G363-I367 WeakPolarHBondContact O-CG1 3.49Å; G363-I367 PolarHBondContact O-N 3.31Å; I364-I367 PolarHBondContact O-N 2.92Å; I367-T369 PolarHBondContact O-N 2.82Å; I367-G371 CarbonylContact O-C 3.5Å; I367-G371 WeakPolarHBondContact O-CA 3.49Å; I367-G371 PolarHBondContact O-N 3.43Å; I367-G371 VanDerWaalsContact O-N 3.1Å; I367-L434 HydrophobicContact CG2-CD1 3.84Å; I367-L434 HydrophobicContact CG2-CD2 4.34Å |
| 368 | R | 93.6 | Very high | 93.8 | Very high | 60 Ų | 60 | 36.5 Ų | 36.5 | 23% | 0.226 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.2 | -43.2 | 177.2 | -69.5 | 179.3 | -178.4 | 128.4 | 0.1 | 113 | I364 N365 L434 M437 | I364-R368 VanDerWaalsContact CG2-CZ 3.5Å; I364-R368 PolarHBondContact O-N 2.64Å; I364-R368 VanDerWaalsContact O-N 3.08Å; N365-R368 PolarHBondContact O-N 2.94Å; N365-R368 PolarHBondContact OD1-NH1 3.39Å; R368-L434 HydrophobicContact CG-CB 4.3Å; R368-L434 HydrophobicContact CG-CD1 4.17Å; R368-L434 PolarHBondContact NH2-O 3.28Å; R368-M437 PolarHBondContact NH2-O 2.99Å |
| 369 | T | 91 | Very high | 93.7 | Very high | 104 Ų | 104 | 34.7 Ų | 34.7 | 64% | 0.638 | 16% | 0.162 | S | C | * | . | H | α-helix | trans | -87.5 | -37 | -170.4 | 52.9 | 0 | 0 | 0 | 0 | 114.4 | N365 L366 I367 G371 | N365-T369 WeakPolarHBondContact O-CB 3.32Å; N365-T369 VanDerWaalsContact O-CG2 3.31Å; N365-T369 WeakPolarHBondContact O-CG2 3.19Å; N365-T369 PolarHBondContact O-N 2.78Å; N365-T369 PolarHBondContact O-OG1 2.92Å; L366-T369 PolarHBondContact O-N 3.12Å; L366-T369 PolarHBondContact O-OG1 3.15Å; I367-T369 PolarHBondContact O-N 2.82Å; T369-G371 VanDerWaalsContact C-N 3.33Å |
| 370 | R | 87.4 | Confident | 93.6 | Very high | 123 Ų | 123 | 35.1 Ų | 35.1 | 46% | 0.464 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -76 | -27.1 | 174 | -165.9 | 165.5 | -177.3 | -93.3 | -5.9 | 111.8 | L366 E373 I490 | L366-R370 HydrophobicContact CD1-CB 4.49Å; L366-R370 VanDerWaalsContact O-CB 3.27Å; L366-R370 WeakPolarHBondContact O-CB 3.48Å; L366-R370 PolarHBondContact O-N 3.15Å; R370-E373 IonicContact CZ-OE1 2.85Å; R370-E373 IonicContact CZ-OE2 2.67Å; R370-E373 IonicContact NE-OE1 2.68Å; R370-E373 IonicContact NH1-OE1 2.71Å; R370-E373 PolarHBondContact NH1-OE1 2.9Å; R370-E373 IonicContact NH1-OE2 3.45Å; R370-E373 PolarHBondContact NH1-OE2 3.03Å; R370-E373 IonicContact NH2-OE1 3.89Å; R370-E373 PolarHBondContact NH2-OE1 2.86Å; R370-E373 IonicContact NH2-OE2 2.7Å; R370-I490 HydrophobicContact CB-CD1 4.41Å; R370-I490 HydrophobicContact CG-CD1 4.39Å; R370-I490 VanDerWaalsContact NH1-CG2 3.34Å |
| 371 | G | 81.7 | Confident | 93.5 | Very high | 14 Ų | 14 | 36.9 Ų | 36.9 | 14% | 0.144 | 17% | 0.174 | C | C | . | . | trans | 96 | 164.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | I367 T369 E373 Y431 | I367-G371 CarbonylContact O-C 3.5Å; I367-G371 WeakPolarHBondContact O-CA 3.49Å; I367-G371 PolarHBondContact O-N 3.43Å; I367-G371 VanDerWaalsContact O-N 3.1Å; T369-G371 VanDerWaalsContact C-N 3.33Å; G371-E373 PolarHBondContact O-N 3.19Å; G371-E373 VanDerWaalsContact O-N 3.11Å; G371-Y431 WeakPolarHBondContact CA-OH 3.29Å | ||
| 372 | V | 86.2 | Confident | 93.4 | Very high | 15 Ų | 15 | 41.4 Ų | 41.4 | 9% | 0.091 | 19% | 0.193 | C | C | . | . | trans | -78.8 | 91.9 | 177.6 | -175.1 | 0 | 0 | 0 | 0 | 108.2 | L299 E374 F425 P427 V430 Y431 | L299-V372 HydrophobicContact CD1-CG1 3.82Å; L299-V372 HydrophobicContact CD2-CG1 4.25Å; V372-E374 PolarHBondContact O-N 3.11Å; V372-F425 HydrophobicContact CG1-CE2 3.91Å; V372-F425 HydrophobicContact CG1-CZ 4.16Å; V372-F425 WeakPolarHBondContact O-CZ 3.34Å; V372-P427 HydrophobicContact CB-CB 4.05Å; V372-P427 HydrophobicContact CG1-CB 4.13Å; V372-V430 HydrophobicContact CG1-CB 4.17Å; V372-V430 HydrophobicContact CG1-CG1 4.15Å; V372-V430 HydrophobicContact CG1-CG2 4.06Å; V372-V430 HydrophobicContact CG2-CB 3.94Å; V372-V430 HydrophobicContact CG2-CG1 3.67Å; V372-Y431 HydrophobicContact CB-CE2 4.47Å; V372-Y431 HydrophobicContact CG2-CD2 4.27Å; V372-Y431 HydrophobicContact CG2-CE1 4.2Å; V372-Y431 HydrophobicContact CG2-CE2 3.8Å | ||
| 373 | E | 89.3 | Confident | 93.4 | Very high | 47 Ų | 47 | 41.9 Ų | 41.9 | 22% | 0.22 | 20% | 0.196 | C | C | . | . | trans | -74.8 | 120 | -175.8 | -67 | -174.3 | 166.2 | 0 | 0 | 112 | R370 G371 W375 I376 | R370-E373 IonicContact CZ-OE1 2.85Å; R370-E373 IonicContact CZ-OE2 2.67Å; R370-E373 IonicContact NE-OE1 2.68Å; R370-E373 IonicContact NH1-OE1 2.71Å; R370-E373 PolarHBondContact NH1-OE1 2.9Å; R370-E373 IonicContact NH1-OE2 3.45Å; R370-E373 PolarHBondContact NH1-OE2 3.03Å; R370-E373 IonicContact NH2-OE1 3.89Å; R370-E373 PolarHBondContact NH2-OE1 2.86Å; R370-E373 IonicContact NH2-OE2 2.7Å; G371-E373 PolarHBondContact O-N 3.19Å; G371-E373 VanDerWaalsContact O-N 3.11Å; E373-W375 VanDerWaalsContact C-N 3.27Å; E373-W375 PolarHBondContact O-N 2.94Å; E373-W375 PolarHBondContact OE2-NE1 2.78Å; E373-I376 HydrophobicContact CB-CD1 4.01Å; E373-I376 HydrophobicContact CB-CG1 4.25Å; E373-I376 PolarHBondContact O-N 3.45Å; E373-I376 VanDerWaalsContact O-N 3.15Å | ||
| 374 | E | 94.3 | Very high | 93.3 | Very high | 91 Ų | 91 | 42.1 Ų | 42.1 | 43% | 0.425 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -57.4 | -35.3 | -175.4 | -178.2 | 172.4 | -173.6 | 0 | 0 | 113.2 | V372 I376 H377 R378 F425 | V372-E374 PolarHBondContact O-N 3.11Å; E374-I376 PolarHBondContact O-N 3.23Å; E374-I376 VanDerWaalsContact O-N 3.15Å; E374-H377 WeakPolarHBondContact O-CA 3.06Å; E374-H377 WeakPolarHBondContact O-CB 3.27Å; E374-H377 PolarHBondContact O-N 3.45Å; E374-R378 HydrophobicContact CG-CG 3.96Å; E374-R378 WeakPolarHBondContact O-CG 3.34Å; E374-R378 PolarHBondContact O-N 3.16Å; E374-R378 IonicContact OE1-CZ 3.16Å; E374-R378 VanDerWaalsContact OE1-CZ 3.3Å; E374-R378 IonicContact OE1-NE 3.28Å; E374-R378 PolarHBondContact OE1-NE 2.65Å; E374-R378 IonicContact OE1-NH2 2.76Å; E374-R378 PolarHBondContact OE1-NH2 3.06Å; E374-F425 HydrophobicContact CB-CD1 4.06Å; E374-F425 HydrophobicContact CB-CE1 3.7Å; E374-F425 HydrophobicContact CB-CE2 4.22Å; E374-F425 HydrophobicContact CB-CG 4.47Å; E374-F425 HydrophobicContact CB-CZ 3.79Å; E374-F425 HydrophobicContact CG-CD1 3.81Å; E374-F425 HydrophobicContact CG-CD2 4.3Å; E374-F425 HydrophobicContact CG-CE1 4.01Å; E374-F425 HydrophobicContact CG-CE2 4.47Å; E374-F425 HydrophobicContact CG-CG 3.97Å; E374-F425 HydrophobicContact CG-CZ 4.34Å |
| 375 | W | 94.7 | Very high | 93.3 | Very high | 75 Ų | 75 | 45.2 Ų | 45.2 | 28% | 0.284 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -60.4 | -29.6 | -178 | 76 | -94.6 | 0 | 0 | 0 | 112.9 | E373 R378 E379 I490 P491 Q493 | E373-W375 VanDerWaalsContact C-N 3.27Å; E373-W375 PolarHBondContact O-N 2.94Å; E373-W375 PolarHBondContact OE2-NE1 2.78Å; W375-R378 PolarHBondContact O-N 2.74Å; W375-E379 WeakPolarHBondContact O-CB 3.23Å; W375-E379 PolarHBondContact O-N 3.06Å; W375-I490 HydrophobicContact CZ2-CG2 4.35Å; W375-P491 WeakPolarHBondContact CH2-O 3.16Å; W375-Q493 HydrophobicContact CD2-CG 4.48Å; W375-Q493 HydrophobicContact CE3-CG 3.72Å; W375-Q493 HydrophobicContact CH2-CG 4.22Å; W375-Q493 HydrophobicContact CZ3-CB 4.35Å; W375-Q493 HydrophobicContact CZ3-CG 3.58Å |
| 376 | I | 94 | Very high | 93.4 | Very high | 3 Ų | 3 | 45.2 Ų | 45.2 | 2% | 0.015 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -69.9 | -43.6 | 176.7 | -54 | 173.2 | 0 | 0 | 0 | 109.6 | L299 L303 E373 E374 R378 E379 C380 I490 | L299-I376 HydrophobicContact CD1-CB 3.94Å; L299-I376 HydrophobicContact CD1-CG2 4.03Å; L299-I376 HydrophobicContact CG-CG2 4.24Å; L303-I376 HydrophobicContact CD1-CD1 4.35Å; L303-I376 HydrophobicContact CD2-CD1 4.32Å; E373-I376 HydrophobicContact CB-CD1 4.01Å; E373-I376 HydrophobicContact CB-CG1 4.25Å; E373-I376 PolarHBondContact O-N 3.45Å; E373-I376 VanDerWaalsContact O-N 3.15Å; E374-I376 PolarHBondContact O-N 3.23Å; E374-I376 VanDerWaalsContact O-N 3.15Å; I376-R378 VanDerWaalsContact C-N 3.34Å; I376-R378 PolarHBondContact O-N 2.98Å; I376-E379 PolarHBondContact O-N 3.11Å; I376-C380 PolarHBondContact O-N 3.34Å; I376-C380 PolarHBondContact O-SG 3.4Å; I376-I490 HydrophobicContact CD1-CD1 4.47Å; I376-I490 HydrophobicContact CD1-CG2 3.64Å |
| 377 | H | 94.5 | Very high | 93.5 | Very high | 7 Ų | 7 | 49.4 Ų | 49.4 | 3% | 0.032 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.1 | -43.5 | 173.7 | 175.8 | 101.3 | 0 | 0 | 0 | 111 | E374 E379 C380 E381 M422 E424 F425 | E374-H377 WeakPolarHBondContact O-CA 3.06Å; E374-H377 WeakPolarHBondContact O-CB 3.27Å; E374-H377 PolarHBondContact O-N 3.45Å; H377-E379 VanDerWaalsContact C-N 3.33Å; H377-E379 PolarHBondContact O-N 2.95Å; H377-C380 PolarHBondContact O-N 3.5Å; H377-E381 WeakPolarHBondContact O-CB 3.24Å; H377-E381 PolarHBondContact O-N 2.84Å; H377-M422 HydrophobicContact CB-CE 4.3Å; H377-M422 WeakPolarHBondContact ND1-CE 3.34Å; H377-M422 PolarHBondContact NE2-O 3.45Å; H377-E424 PolarHBondContact CE1-O 3.3Å; H377-E424 VanDerWaalsContact CE1-O 3.26Å; H377-F425 HydrophobicContact CB-CD2 3.73Å; H377-F425 HydrophobicContact CB-CE2 4.05Å; H377-F425 AromaticContact CD2-CD2 3.84Å; H377-F425 AromaticContact CG-CD2 3.57Å; H377-F425 AromaticContact ND1-CD2 3.85Å; H377-F425 WeakPolarHBondContact NE2-CA 3.37Å; H377-F425 PolarHBondContact NE2-N 3.32Å |
| 378 | R | 96 | Very high | 93.6 | Very high | 88 Ų | 88 | 50.1 Ų | 50.1 | 33% | 0.332 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -67 | -29.3 | 175.3 | -59.4 | -57.4 | 176 | -163.9 | -4.8 | 113.5 | E374 W375 I376 E381 K382 D423 | E374-R378 HydrophobicContact CG-CG 3.96Å; E374-R378 WeakPolarHBondContact O-CG 3.34Å; E374-R378 PolarHBondContact O-N 3.16Å; E374-R378 IonicContact OE1-CZ 3.16Å; E374-R378 VanDerWaalsContact OE1-CZ 3.3Å; E374-R378 IonicContact OE1-NE 3.28Å; E374-R378 PolarHBondContact OE1-NE 2.65Å; E374-R378 IonicContact OE1-NH2 2.76Å; E374-R378 PolarHBondContact OE1-NH2 3.06Å; W375-R378 PolarHBondContact O-N 2.74Å; I376-R378 VanDerWaalsContact C-N 3.34Å; I376-R378 PolarHBondContact O-N 2.98Å; R378-E381 WeakPolarHBondContact CD-OE2 3.24Å; R378-E381 IonicContact CZ-OE2 2.69Å; R378-E381 IonicContact NE-OE2 3.16Å; R378-E381 IonicContact NH1-OE1 2.85Å; R378-E381 IonicContact NH1-OE2 3.22Å; R378-E381 PolarHBondContact NH1-OE2 3.31Å; R378-K382 VanDerWaalsContact O-CB 3.3Å; R378-K382 WeakPolarHBondContact O-CB 3.45Å; R378-K382 PolarHBondContact O-N 2.74Å; R378-D423 PolarHBondContact NH1-O 3.39Å |
| 379 | E | 95.8 | Very high | 93.7 | Very high | 26 Ų | 26 | 52.6 Ų | 52.6 | 12% | 0.121 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -69.5 | -45.3 | 172.4 | -163.1 | 175.1 | 106.4 | 0 | 0 | 110.9 | W375 I376 H377 K382 L383 Q493 N494 I497 | W375-E379 WeakPolarHBondContact O-CB 3.23Å; W375-E379 PolarHBondContact O-N 3.06Å; I376-E379 PolarHBondContact O-N 3.11Å; H377-E379 VanDerWaalsContact C-N 3.33Å; H377-E379 PolarHBondContact O-N 2.95Å; E379-K382 PolarHBondContact O-N 3.41Å; E379-L383 WeakPolarHBondContact O-CG 3.32Å; E379-L383 PolarHBondContact O-N 2.88Å; E379-Q493 WeakPolarHBondContact OE2-CA 3.28Å; E379-N494 WeakPolarHBondContact OE1-CB 3.44Å; E379-N494 PolarHBondContact OE2-N 2.86Å; E379-I497 HydrophobicContact CG-CD1 3.34Å |
| 380 | C | 94.9 | Very high | 94 | Very high | 13 Ų | 13 | 47.9 Ų | 47.9 | 9% | 0.088 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.3 | -44.9 | 172.2 | -69.2 | 0 | 0 | 0 | 0 | 112.5 | Q298 I376 H377 K382 L383 G384 M422 | Q298-C380 HydrophobicContact CG-CB 4.34Å; I376-C380 PolarHBondContact O-N 3.34Å; I376-C380 PolarHBondContact O-SG 3.4Å; H377-C380 PolarHBondContact O-N 3.5Å; C380-K382 VanDerWaalsContact C-N 3.35Å; C380-K382 PolarHBondContact O-N 2.65Å; C380-L383 PolarHBondContact O-N 3.41Å; C380-G384 PolarHBondContact O-N 3.47Å; C380-M422 HydrophobicContact CB-CE 3.84Å; C380-M422 HydrophobicContact CB-SD 3.54Å; C380-M422 VanDerWaalsContact CB-SD 3.54Å |
| 381 | E | 95.9 | Very high | 94.3 | Very high | 38 Ų | 38 | 45.4 Ų | 45.4 | 18% | 0.178 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -55.9 | -47.9 | 173.9 | -178.6 | -174.7 | -179.4 | 0 | 0 | 111.3 | H377 R378 L383 G384 N385 M422 | H377-E381 WeakPolarHBondContact O-CB 3.24Å; H377-E381 PolarHBondContact O-N 2.84Å; R378-E381 WeakPolarHBondContact CD-OE2 3.24Å; R378-E381 IonicContact CZ-OE2 2.69Å; R378-E381 IonicContact NE-OE2 3.16Å; R378-E381 IonicContact NH1-OE1 2.85Å; R378-E381 IonicContact NH1-OE2 3.22Å; R378-E381 PolarHBondContact NH1-OE2 3.31Å; E381-L383 PolarHBondContact O-N 2.83Å; E381-G384 PolarHBondContact O-N 3.16Å; E381-N385 WeakPolarHBondContact O-CB 3.37Å; E381-N385 PolarHBondContact O-N 3.22Å; E381-N385 PolarHBondContact O-ND2 2.87Å; E381-M422 HydrophobicContact CB-CB 4.46Å; E381-M422 VanDerWaalsContact CB-O 3.3Å; E381-M422 WeakPolarHBondContact CB-O 3.14Å; E381-M422 VanDerWaalsContact CG-O 3.28Å; E381-M422 WeakPolarHBondContact CG-O 3.21Å |
| 382 | K | 96.4 | Very high | 94.8 | Very high | 94 Ų | 94 | 46.7 Ų | 46.7 | 41% | 0.409 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -62.6 | -42 | 178.2 | -176.2 | -178.4 | 175.9 | -169.8 | 0 | 111.6 | R378 E379 C380 I386 I497 | R378-K382 VanDerWaalsContact O-CB 3.3Å; R378-K382 WeakPolarHBondContact O-CB 3.45Å; R378-K382 PolarHBondContact O-N 2.74Å; E379-K382 PolarHBondContact O-N 3.41Å; C380-K382 VanDerWaalsContact C-N 3.35Å; C380-K382 PolarHBondContact O-N 2.65Å; K382-I386 HydrophobicContact CG-CD1 3.92Å; K382-I386 WeakPolarHBondContact O-CB 3.4Å; K382-I386 WeakPolarHBondContact O-CD1 3.4Å; K382-I386 VanDerWaalsContact O-CG1 3.23Å; K382-I386 WeakPolarHBondContact O-CG1 3.45Å; K382-I386 PolarHBondContact O-N 2.99Å; K382-I497 HydrophobicContact CD-CG2 4.1Å |
| 383 | L | 96 | Very high | 95.1 | Very high | 28 Ų | 28 | 49.1 Ų | 49.1 | 15% | 0.147 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.6 | -47.7 | 176.2 | -74.3 | 173.5 | 0 | 0 | 0 | 111.8 | E379 C380 E381 N385 I386 E387 I497 L578 | E379-L383 WeakPolarHBondContact O-CG 3.32Å; E379-L383 PolarHBondContact O-N 2.88Å; C380-L383 PolarHBondContact O-N 3.41Å; E381-L383 PolarHBondContact O-N 2.83Å; L383-N385 PolarHBondContact O-N 2.76Å; L383-I386 PolarHBondContact O-N 2.86Å; L383-E387 PolarHBondContact O-N 3.23Å; L383-I497 HydrophobicContact CD2-CD1 4.17Å; L383-I497 HydrophobicContact CD2-CG1 3.94Å; L383-I497 HydrophobicContact CG-CD1 4.25Å; L383-L578 WeakPolarHBondContact CD2-O 3.27Å |
| 384 | G | 96.1 | Very high | 95.3 | Very high | 12 Ų | 12 | 48.4 Ų | 48.4 | 12% | 0.124 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59 | -44.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | C380 E381 I386 E387 F388 | C380-G384 PolarHBondContact O-N 3.47Å; E381-G384 PolarHBondContact O-N 3.16Å; G384-I386 PolarHBondContact O-N 2.68Å; G384-E387 PolarHBondContact O-N 2.88Å; G384-F388 WeakPolarHBondContact O-CB 3.45Å; G384-F388 PolarHBondContact O-N 3.31Å |
| 385 | N | 96.9 | Very high | 95.2 | Very high | 64 Ų | 64 | 50 Ų | 50 | 34% | 0.342 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -63.6 | -39.7 | 175.2 | -77.9 | -43.1 | 0 | 0 | 0 | 113.1 | E381 L383 R389 | E381-N385 WeakPolarHBondContact O-CB 3.37Å; E381-N385 PolarHBondContact O-N 3.22Å; E381-N385 PolarHBondContact O-ND2 2.87Å; L383-N385 PolarHBondContact O-N 2.76Å; N385-R389 VanDerWaalsContact O-CB 3.27Å; N385-R389 WeakPolarHBondContact O-CB 3.48Å; N385-R389 PolarHBondContact O-N 2.61Å |
| 386 | I | 97.2 | Very high | 95.3 | Very high | 17 Ų | 17 | 46.9 Ų | 46.9 | 9% | 0.087 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66.4 | -44 | 175 | -73.4 | 166.3 | 0 | 0 | 0 | 110.7 | K382 L383 G384 F390 I497 P498 F501 F599 | K382-I386 HydrophobicContact CG-CD1 3.92Å; K382-I386 WeakPolarHBondContact O-CB 3.4Å; K382-I386 WeakPolarHBondContact O-CD1 3.4Å; K382-I386 VanDerWaalsContact O-CG1 3.23Å; K382-I386 WeakPolarHBondContact O-CG1 3.45Å; K382-I386 PolarHBondContact O-N 2.99Å; L383-I386 PolarHBondContact O-N 2.86Å; G384-I386 PolarHBondContact O-N 2.68Å; I386-F390 HydrophobicContact CG2-CD2 4.3Å; I386-F390 WeakPolarHBondContact O-CD2 3.25Å; I386-F390 PolarHBondContact O-N 2.86Å; I386-I497 HydrophobicContact CD1-CG2 4.01Å; I386-P498 HydrophobicContact CD1-CG 4.42Å; I386-P498 HydrophobicContact CG2-CG 4.23Å; I386-F501 HydrophobicContact CD1-CZ 4.05Å; I386-F501 HydrophobicContact CG1-CZ 4.02Å; I386-F501 HydrophobicContact CG2-CE1 4.2Å; I386-F501 HydrophobicContact CG2-CZ 4.27Å; I386-F599 HydrophobicContact CG2-CE1 4.19Å; I386-F599 HydrophobicContact CG2-CE2 3.75Å; I386-F599 HydrophobicContact CG2-CZ 3.43Å; I386-F599 VanDerWaalsContact CG2-CZ 3.43Å |
| 387 | E | 96.1 | Very high | 95.3 | Very high | 114 Ų | 114 | 47.7 Ų | 47.7 | 53% | 0.533 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -65.3 | -44.9 | 179 | -169.3 | 178.2 | 163.1 | 0 | 0 | 111.5 | L383 G384 F390 K391 Y420 | L383-E387 PolarHBondContact O-N 3.23Å; G384-E387 PolarHBondContact O-N 2.88Å; E387-F390 CarbonylContact O-C 3.55Å; E387-K391 VanDerWaalsContact O-CA 3.27Å; E387-K391 WeakPolarHBondContact O-CA 3.1Å; E387-K391 WeakPolarHBondContact O-CB 3.2Å; E387-K391 PolarHBondContact O-N 3.13Å; E387-Y420 HydrophobicContact CB-CD1 4.2Å; E387-Y420 HydrophobicContact CB-CE1 4.11Å; E387-Y420 HydrophobicContact CG-CD1 4.35Å; E387-Y420 HydrophobicContact CG-CE1 3.75Å |
| 388 | F | 97.3 | Very high | 95.4 | Very high | 20 Ų | 20 | 54.8 Ų | 54.8 | 9% | 0.088 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.9 | -50.1 | 175.7 | -179.7 | -114.6 | 0 | 0 | 0 | 111.8 | S23 G384 F390 K391 L416 F417 Y420 | S23-F388 WeakPolarHBondContact CB-O 3.49Å; G384-F388 WeakPolarHBondContact O-CB 3.45Å; G384-F388 PolarHBondContact O-N 3.31Å; F388-F390 PolarHBondContact O-N 2.99Å; F388-K391 WeakPolarHBondContact O-CB 3.09Å; F388-K391 PolarHBondContact O-N 3.21Å; F388-L416 HydrophobicContact CE2-CB 4.28Å; F388-L416 VanDerWaalsContact CE2-O 3.3Å; F388-L416 WeakPolarHBondContact CE2-O 3.43Å; F388-F417 HydrophobicContact CB-CD2 4.4Å; F388-F417 AromaticContact CD1-CD2 3.53Å; F388-F417 HydrophobicContact CD1-CD2 3.53Å; F388-F417 AromaticContact CD1-CE2 3.99Å; F388-F417 HydrophobicContact CD1-CE2 3.99Å; F388-F417 HydrophobicContact CD1-CG 4.46Å; F388-F417 HydrophobicContact CD2-CD2 4.07Å; F388-F417 HydrophobicContact CE1-CB 4.17Å; F388-F417 AromaticContact CE1-CD2 3.63Å; F388-F417 HydrophobicContact CE1-CD2 3.63Å; F388-F417 HydrophobicContact CE1-CE2 4.39Å; F388-F417 HydrophobicContact CE1-CG 4.14Å; F388-F417 HydrophobicContact CE2-CB 3.95Å; F388-F417 HydrophobicContact CE2-CD2 4.17Å; F388-F417 AromaticContact CG-CD2 3.74Å; F388-F417 HydrophobicContact CG-CD2 3.74Å; F388-F417 HydrophobicContact CG-CE2 4.31Å; F388-F417 HydrophobicContact CZ-CB 3.69Å; F388-F417 AromaticContact CZ-CD2 3.94Å; F388-F417 HydrophobicContact CZ-CD2 3.94Å; F388-F417 HydrophobicContact CZ-CG 4.16Å; F388-Y420 HydrophobicContact CB-CD1 4.19Å; F388-Y420 HydrophobicContact CB-CD2 4.15Å; F388-Y420 HydrophobicContact CB-CG 3.79Å; F388-Y420 AromaticContact CD2-CD2 3.65Å; F388-Y420 HydrophobicContact CD2-CD2 3.65Å; F388-Y420 HydrophobicContact CD2-CE2 4.18Å; F388-Y420 HydrophobicContact CD2-CG 4.17Å; F388-Y420 HydrophobicContact CG-CD2 4.31Å; F388-Y420 HydrophobicContact CG-CG 4.38Å |
| 389 | R | 97.2 | Very high | 95.5 | Very high | 111 Ų | 111 | 50.9 Ų | 50.9 | 42% | 0.419 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -58.7 | -48.8 | -179.1 | -179.7 | 176.1 | 175.8 | -173.9 | -3.1 | 111.5 | S23 E25 N385 | S23-R389 PolarHBondContact OG-O 3.07Å; E25-R389 HydrophobicContact CG-CG 4.4Å; E25-R389 WeakPolarHBondContact CG-O 3.43Å; E25-R389 IonicContact OE1-CZ 3.08Å; E25-R389 IonicContact OE1-NE 2.73Å; E25-R389 PolarHBondContact OE1-NE 2.72Å; E25-R389 IonicContact OE1-NH2 3.25Å; E25-R389 PolarHBondContact OE1-NH2 3.03Å; N385-R389 VanDerWaalsContact O-CB 3.27Å; N385-R389 WeakPolarHBondContact O-CB 3.48Å; N385-R389 PolarHBondContact O-N 2.61Å |
| 390 | F | 96.4 | Very high | 95.6 | Very high | 6 Ų | 6 | 49.7 Ų | 49.7 | 3% | 0.026 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | 27.8 | -175.5 | -56.7 | -65.9 | 0 | 0 | 0 | 113.1 | E25 I386 E387 F388 F501 L534 P535 K536 F599 | E25-F390 HydrophobicContact CG-CD1 4.21Å; E25-F390 HydrophobicContact CG-CE1 4.41Å; I386-F390 HydrophobicContact CG2-CD2 4.3Å; I386-F390 WeakPolarHBondContact O-CD2 3.25Å; I386-F390 PolarHBondContact O-N 2.86Å; E387-F390 CarbonylContact O-C 3.55Å; F388-F390 PolarHBondContact O-N 2.99Å; F390-F501 AromaticContact CD2-CD1 3.91Å; F390-F501 HydrophobicContact CD2-CD1 3.91Å; F390-F501 AromaticContact CD2-CE1 3.97Å; F390-F501 HydrophobicContact CD2-CE1 3.97Å; F390-F501 HydrophobicContact CE1-CB 4.34Å; F390-F501 HydrophobicContact CE2-CB 4.1Å; F390-F501 AromaticContact CE2-CD1 3.25Å; F390-F501 HydrophobicContact CE2-CD1 3.25Å; F390-F501 AromaticContact CE2-CD2 3.98Å; F390-F501 HydrophobicContact CE2-CD2 3.98Å; F390-F501 AromaticContact CE2-CE1 3.52Å; F390-F501 HydrophobicContact CE2-CE1 3.52Å; F390-F501 HydrophobicContact CE2-CE2 4.21Å; F390-F501 AromaticContact CE2-CG 3.5Å; F390-F501 HydrophobicContact CE2-CG 3.5Å; F390-F501 VanDerWaalsContact CE2-CG 3.5Å; F390-F501 HydrophobicContact CE2-CZ 4Å; F390-F501 HydrophobicContact CZ-CB 3.59Å; F390-F501 AromaticContact CZ-CD1 3.67Å; F390-F501 HydrophobicContact CZ-CD1 3.67Å; F390-F501 HydrophobicContact CZ-CD2 4.13Å; F390-F501 HydrophobicContact CZ-CE1 4.37Å; F390-F501 AromaticContact CZ-CG 3.52Å; F390-F501 HydrophobicContact CZ-CG 3.52Å; F390-L534 HydrophobicContact CD1-CD2 4.3Å; F390-P535 VanDerWaalsContact CD1-CD 3.47Å; F390-P535 HydrophobicContact CD1-CG 3.64Å; F390-P535 HydrophobicContact CD2-CG 4.28Å; F390-P535 HydrophobicContact CE1-CG 3.72Å; F390-P535 HydrophobicContact CE2-CG 4.35Å; F390-P535 HydrophobicContact CG-CG 3.92Å; F390-P535 HydrophobicContact CZ-CG 4.08Å; F390-K536 WeakPolarHBondContact O-CE 3.4Å; F390-K536 PolarHBondContact O-NZ 3.35Å; F390-F599 HydrophobicContact CB-CE1 3.81Å; F390-F599 HydrophobicContact CB-CZ 4.06Å; F390-F599 AromaticContact CD2-CE1 3.73Å; F390-F599 HydrophobicContact CD2-CE1 3.73Å; F390-F599 HydrophobicContact CD2-CZ 4.16Å; F390-F599 AromaticContact CG-CE1 3.97Å; F390-F599 HydrophobicContact CG-CE1 3.97Å |
| 391 | K | 94.7 | Very high | 95.8 | Very high | 71 Ų | 71 | 50.1 Ų | 50.1 | 31% | 0.309 | 23% | 0.233 | S | C | . | . | P | Polyproline II helix | trans | -58.4 | 138.4 | -179.5 | -163.4 | 179.9 | -178.2 | -173.4 | 0 | 111.1 | E387 F388 E394 Y420 | E387-K391 VanDerWaalsContact O-CA 3.27Å; E387-K391 WeakPolarHBondContact O-CA 3.1Å; E387-K391 WeakPolarHBondContact O-CB 3.2Å; E387-K391 PolarHBondContact O-N 3.13Å; F388-K391 WeakPolarHBondContact O-CB 3.09Å; F388-K391 PolarHBondContact O-N 3.21Å; K391-E394 WeakPolarHBondContact CD-OE1 3.38Å; K391-E394 WeakPolarHBondContact CE-OE1 3.33Å; K391-E394 IonicContact NZ-OE1 2.68Å; K391-E394 PolarHBondContact NZ-OE1 3.35Å; K391-Y420 HydrophobicContact CD-CE2 4.3Å; K391-Y420 WeakPolarHBondContact CE-OH 3.43Å; K391-Y420 PolarHBondContact NZ-OH 3.09Å |
| 392 | D | 91.4 | Very high | 95.9 | Very high | 41 Ų | 41 | 51 Ų | 51 | 22% | 0.219 | 24% | 0.244 | C | C | . | . | P | Polyproline II helix | trans | -68.1 | 133.9 | 172.2 | -73 | -1.2 | 0 | 0 | 0 | 109.4 | E394 K536 K860 | D392-E394 PolarHBondContact O-N 3.42Å; D392-K536 IonicContact OD1-NZ 2.74Å; D392-K536 PolarHBondContact OD1-NZ 2.93Å; D392-K860 HydrophobicContact CB-CB 3.81Å; D392-K860 HydrophobicContact CB-CD 4Å; D392-K860 WeakPolarHBondContact OD2-CD 3Å |
| 393 | K | 92.2 | Very high | 96 | Very high | 66 Ų | 66 | 46.8 Ų | 46.8 | 29% | 0.287 | 23% | 0.226 | S | C | . | . | P | Polyproline II helix | trans | -58.6 | 125.1 | 174.2 | 178.8 | -178.4 | -176.9 | 175.7 | 0 | 109.9 | D46 T48 K859 | D46-K393 IonicContact OD1-NZ 3.65Å; D46-K393 PolarHBondContact OD1-NZ 3.36Å; D46-K393 WeakPolarHBondContact OD2-CE 3.41Å; D46-K393 IonicContact OD2-NZ 3.85Å; D46-K393 PolarHBondContact OD2-NZ 2.84Å; T48-K393 PolarHBondContact OG1-NZ 3.19Å; T48-K393 VanDerWaalsContact OG1-NZ 3.14Å; K393-K859 WeakPolarHBondContact CB-O 3.39Å; K393-K859 HydrophobicContact CG-CB 4.44Å; K393-K859 WeakPolarHBondContact O-CB 3.32Å |
| 394 | E | 93.4 | Very high | 96.1 | Very high | 32 Ų | 32 | 45.4 Ų | 45.4 | 15% | 0.15 | 22% | 0.219 | C | C | . | . | P | Polyproline II helix | trans | -78.3 | 164.2 | -173.5 | -51.5 | 92.1 | 148.8 | 0 | 0 | 112.1 | R28 K391 D392 L399 | R28-E394 IonicContact CZ-OE2 3.9Å; R28-E394 VanDerWaalsContact CZ-OE2 3.26Å; R28-E394 IonicContact NH1-OE2 2.91Å; R28-E394 PolarHBondContact NH1-OE2 2.85Å; R28-E394 IonicContact NH2-OE2 3.93Å; R28-E394 PolarHBondContact NH2-OE2 3.45Å; K391-E394 WeakPolarHBondContact CD-OE1 3.38Å; K391-E394 WeakPolarHBondContact CE-OE1 3.33Å; K391-E394 IonicContact NZ-OE1 2.68Å; K391-E394 PolarHBondContact NZ-OE1 3.35Å; D392-E394 PolarHBondContact O-N 3.42Å; E394-L399 HydrophobicContact CB-CB 4.23Å; E394-L399 HydrophobicContact CB-CD1 4.43Å; E394-L399 HydrophobicContact CG-CD1 4.28Å |
| 395 | K | 92.4 | Very high | 96.2 | Very high | 125 Ų | 125 | 45.8 Ų | 45.8 | 54% | 0.543 | 22% | 0.219 | S | C | . | . | P | Polyproline II helix | trans | -67.6 | 139.5 | 163.6 | -73.5 | -168.3 | 171.1 | -164.7 | 0 | 109.5 | S397 K398 L399 | K395-S397 PolarHBondContact O-N 3.29Å; K395-K398 HydrophobicContact CB-CB 4.45Å; K395-K398 PolarHBondContact O-N 3.02Å; K395-L399 PolarHBondContact O-N 3.15Å |
| 396 | P | 95.9 | Very high | 96.2 | Very high | 9 Ų | 9 | 43.9 Ų | 43.9 | 6% | 0.058 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -47 | -55.4 | 178.5 | -34.6 | 39.4 | 0 | 0 | 0 | 114.5 | K51 A53 L225 K398 L399 T400 | K51-P396 WeakPolarHBondContact O-CG 3.33Å; A53-P396 HydrophobicContact CB-CB 3.59Å; L225-P396 HydrophobicContact CD1-CB 4.35Å; L225-P396 HydrophobicContact CD2-CB 4.11Å; L225-P396 HydrophobicContact CD2-CG 4.25Å; P396-K398 PolarHBondContact O-N 2.81Å; P396-L399 WeakPolarHBondContact O-CB 3.48Å; P396-L399 PolarHBondContact O-N 2.91Å; P396-L399 VanDerWaalsContact O-N 3.13Å; P396-T400 PolarHBondContact O-N 3.44Å; P396-T400 PolarHBondContact O-OG1 3.07Å |
| 397 | S | 95.6 | Very high | 96.2 | Very high | 19 Ų | 19 | 43.1 Ų | 43.1 | 13% | 0.133 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -51.8 | -53.6 | 177.5 | 40.1 | 0 | 0 | 0 | 0 | 112.6 | E118 K395 L399 T400 T401 | E118-S397 WeakPolarHBondContact OE2-CB 3.4Å; E118-S397 PolarHBondContact OE2-OG 2.75Å; K395-S397 PolarHBondContact O-N 3.29Å; S397-L399 VanDerWaalsContact C-N 3.31Å; S397-L399 PolarHBondContact O-N 2.63Å; S397-T400 PolarHBondContact O-N 2.98Å; S397-T400 PolarHBondContact O-OG1 2.82Å; S397-T401 WeakPolarHBondContact O-CB 3.36Å; S397-T401 PolarHBondContact O-N 2.72Å; S397-T401 PolarHBondContact O-OG1 3.21Å |
| 398 | K | 96.2 | Very high | 96.1 | Very high | 157 Ų | 157 | 38.4 Ų | 38.4 | 68% | 0.683 | 18% | 0.183 | S | C | * | . | H | α-helix | trans | -61.6 | -37.3 | 179 | -175.2 | 170.6 | -177.3 | 175.6 | 0 | 112.7 | K395 P396 S402 | K395-K398 HydrophobicContact CB-CB 4.45Å; K395-K398 PolarHBondContact O-N 3.02Å; P396-K398 PolarHBondContact O-N 2.81Å; K398-S402 PolarHBondContact O-N 2.97Å |
| 399 | L | 97.7 | Very high | 95.9 | Very high | 6 Ų | 6 | 40.8 Ų | 40.8 | 3% | 0.031 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65.3 | -50.8 | 176.2 | -173.9 | 74.2 | 0 | 0 | 0 | 110.7 | V44 L225 E394 K395 P396 S397 T401 S402 L403 | V44-L399 HydrophobicContact CG1-CD2 4.37Å; L225-L399 HydrophobicContact CD1-CD2 3.8Å; E394-L399 HydrophobicContact CB-CB 4.23Å; E394-L399 HydrophobicContact CB-CD1 4.43Å; E394-L399 HydrophobicContact CG-CD1 4.28Å; K395-L399 PolarHBondContact O-N 3.15Å; P396-L399 WeakPolarHBondContact O-CB 3.48Å; P396-L399 PolarHBondContact O-N 2.91Å; P396-L399 VanDerWaalsContact O-N 3.13Å; S397-L399 VanDerWaalsContact C-N 3.31Å; S397-L399 PolarHBondContact O-N 2.63Å; L399-T401 VanDerWaalsContact C-N 3.34Å; L399-T401 PolarHBondContact O-N 3.19Å; L399-S402 PolarHBondContact O-N 2.82Å; L399-L403 HydrophobicContact CD1-CD1 3.72Å; L399-L403 HydrophobicContact CD1-CG 4.21Å; L399-L403 HydrophobicContact CD2-CD1 4.33Å; L399-L403 HydrophobicContact CG-CD1 3.71Å; L399-L403 HydrophobicContact CG-CG 4.34Å; L399-L403 WeakPolarHBondContact O-CB 3.35Å; L399-L403 VanDerWaalsContact O-CG 3.29Å; L399-L403 WeakPolarHBondContact O-CG 3.06Å; L399-L403 PolarHBondContact O-N 3.07Å |
| 400 | T | 98.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.6 | -41.9 | -178 | 48.9 | 0 | 0 | 0 | 0 | 111.6 | A53 S55 C223 L225 P396 S397 L403 A404 | A53-T400 HydrophobicContact CB-CG2 4Å; S55-T400 VanDerWaalsContact CB-C 3.5Å; S55-T400 WeakPolarHBondContact CB-O 3.44Å; C223-T400 HydrophobicContact CB-CG2 4.31Å; C223-T400 WeakPolarHBondContact CB-O 3.43Å; L225-T400 HydrophobicContact CB-CG2 3.85Å; P396-T400 PolarHBondContact O-N 3.44Å; P396-T400 PolarHBondContact O-OG1 3.07Å; S397-T400 PolarHBondContact O-N 2.98Å; S397-T400 PolarHBondContact O-OG1 2.82Å; T400-L403 PolarHBondContact O-N 2.93Å; T400-A404 WeakPolarHBondContact O-CB 3.28Å; T400-A404 PolarHBondContact O-N 2.91Å |
| 401 | T | 98.6 | Very high | 95.8 | Very high | 22 Ų | 22 | 39.5 Ų | 39.5 | 14% | 0.135 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.2 | -51.8 | 176.3 | -60.5 | 0 | 0 | 0 | 0 | 112.1 | F107 H116 S397 L399 L403 A404 S405 | F107-T401 HydrophobicContact CE1-CG2 3.96Å; F107-T401 HydrophobicContact CZ-CG2 4.43Å; H116-T401 VanDerWaalsContact CB-OG1 3.29Å; H116-T401 WeakPolarHBondContact CB-OG1 3.3Å; H116-T401 PolarHBondContact ND1-OG1 2.78Å; S397-T401 WeakPolarHBondContact O-CB 3.36Å; S397-T401 PolarHBondContact O-N 2.72Å; S397-T401 PolarHBondContact O-OG1 3.21Å; L399-T401 VanDerWaalsContact C-N 3.34Å; L399-T401 PolarHBondContact O-N 3.19Å; T401-L403 PolarHBondContact O-N 2.81Å; T401-A404 PolarHBondContact O-N 2.85Å; T401-S405 PolarHBondContact O-N 2.91Å; T401-S405 PolarHBondContact O-OG 3.48Å |
| 402 | S | 97.6 | Very high | 95.9 | Very high | 56 Ų | 56 | 37 Ų | 37 | 39% | 0.392 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -58.4 | -52.3 | 178.4 | -163.5 | 0 | 0 | 0 | 0 | 110.8 | K398 L399 A404 S405 D406 | K398-S402 PolarHBondContact O-N 2.97Å; L399-S402 PolarHBondContact O-N 2.82Å; S402-A404 VanDerWaalsContact C-N 3.29Å; S402-A404 PolarHBondContact O-N 3.46Å; S402-S405 PolarHBondContact O-N 2.94Å; S402-S405 VanDerWaalsContact O-N 3.16Å; S402-D406 WeakPolarHBondContact O-CB 3.42Å; S402-D406 PolarHBondContact O-N 2.89Å; S402-D406 PolarHBondContact OG-OD2 3.18Å |
| 403 | L | 98.4 | Very high | 96.2 | Very high | 6 Ų | 6 | 36.8 Ų | 36.8 | 3% | 0.031 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -71 | -22.9 | -172.6 | -61.3 | -178.6 | 0 | 0 | 0 | 113.8 | L42 C223 L399 T400 T401 M407 V415 L416 | L42-L403 HydrophobicContact CD2-CB 3.97Å; L42-L403 HydrophobicContact CD2-CD1 3.62Å; L42-L403 HydrophobicContact CD2-CG 4.33Å; C223-L403 HydrophobicContact CB-CB 4.33Å; L399-L403 HydrophobicContact CD1-CD1 3.72Å; L399-L403 HydrophobicContact CD1-CG 4.21Å; L399-L403 HydrophobicContact CD2-CD1 4.33Å; L399-L403 HydrophobicContact CG-CD1 3.71Å; L399-L403 HydrophobicContact CG-CG 4.34Å; L399-L403 WeakPolarHBondContact O-CB 3.35Å; L399-L403 VanDerWaalsContact O-CG 3.29Å; L399-L403 WeakPolarHBondContact O-CG 3.06Å; L399-L403 PolarHBondContact O-N 3.07Å; T400-L403 PolarHBondContact O-N 2.93Å; T401-L403 PolarHBondContact O-N 2.81Å; L403-M407 WeakPolarHBondContact O-CE 3.46Å; L403-M407 WeakPolarHBondContact O-CG 3.3Å; L403-M407 PolarHBondContact O-N 2.9Å; L403-V415 HydrophobicContact CD2-CG1 4.47Å; L403-V415 HydrophobicContact CD2-CG2 4.22Å; L403-L416 HydrophobicContact CD1-CD2 3.47Å; L403-L416 VanDerWaalsContact CD1-CD2 3.47Å; L403-L416 HydrophobicContact CD2-CD2 3.79Å; L403-L416 HydrophobicContact CG-CD2 4.29Å |
| 404 | A | 98.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.6 | -60.7 | 166.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | D57 S221 C223 T400 T401 S402 D406 M407 | D57-A404 HydrophobicContact CB-CB 3.75Å; S221-A404 PolarHBondContact OG-O 2.72Å; C223-A404 HydrophobicContact CB-CB 4.33Å; T400-A404 WeakPolarHBondContact O-CB 3.28Å; T400-A404 PolarHBondContact O-N 2.91Å; T401-A404 PolarHBondContact O-N 2.85Å; S402-A404 VanDerWaalsContact C-N 3.29Å; S402-A404 PolarHBondContact O-N 3.46Å; A404-D406 PolarHBondContact O-N 3.02Å; A404-M407 WeakPolarHBondContact O-CB 3.38Å; A404-M407 PolarHBondContact O-N 2.96Å |
| 405 | S | 97.1 | Very high | 96.6 | Very high | 20 Ų | 20 | 33.4 Ų | 33.4 | 14% | 0.14 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -58 | -45.1 | 178.8 | -45.8 | 0 | 0 | 0 | 0 | 112.9 | D57 N114 T401 S402 M407 H408 H409 | D57-S405 WeakPolarHBondContact OD2-CB 3.39Å; D57-S405 PolarHBondContact OD2-OG 2.93Å; N114-S405 PolarHBondContact ND2-OG 2.93Å; T401-S405 PolarHBondContact O-N 2.91Å; T401-S405 PolarHBondContact O-OG 3.48Å; S402-S405 PolarHBondContact O-N 2.94Å; S402-S405 VanDerWaalsContact O-N 3.16Å; S405-M407 PolarHBondContact O-N 2.84Å; S405-H408 WeakPolarHBondContact O-CB 3.45Å; S405-H408 PolarHBondContact O-N 2.94Å; S405-H409 PolarHBondContact O-CD2 2.9Å; S405-H409 VanDerWaalsContact O-CD2 3.3Å |
| 406 | D | 96.9 | Very high | 96.9 | Very high | 24 Ų | 24 | 28.1 Ų | 28.1 | 13% | 0.128 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -59.7 | -30.3 | -178.7 | -71 | -45.5 | 0 | 0 | 0 | 112.7 | S402 A404 H408 H409 Y410 V415 | S402-D406 WeakPolarHBondContact O-CB 3.42Å; S402-D406 PolarHBondContact O-N 2.89Å; S402-D406 PolarHBondContact OG-OD2 3.18Å; A404-D406 PolarHBondContact O-N 3.02Å; D406-H408 PolarHBondContact O-N 3.43Å; D406-H409 PolarHBondContact O-N 3.18Å; D406-Y410 HydrophobicContact CB-CD2 3.93Å; D406-Y410 HydrophobicContact CB-CE2 4.06Å; D406-Y410 VanDerWaalsContact O-CD2 3.31Å; D406-Y410 WeakPolarHBondContact O-CD2 3.25Å; D406-Y410 PolarHBondContact O-N 3.38Å; D406-V415 HydrophobicContact CB-CG2 3.56Å |
| 407 | M | 97.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -66.4 | -16.3 | 174.5 | -85.4 | -169.6 | -73.4 | 0 | 0 | 113.9 | K40 L42 L222 C223 L403 A404 S405 I412 V415 | K40-M407 HydrophobicContact CB-SD 4.02Å; K40-M407 HydrophobicContact CD-CB 4.34Å; K40-M407 WeakPolarHBondContact CD-O 3.18Å; K40-M407 PolarHBondContact NZ-O 3.29Å; L42-M407 HydrophobicContact CB-CE 3.79Å; L42-M407 HydrophobicContact CB-SD 3.78Å; L222-M407 WeakPolarHBondContact O-CE 3.09Å; C223-M407 HydrophobicContact CB-CE 4.37Å; L403-M407 WeakPolarHBondContact O-CE 3.46Å; L403-M407 WeakPolarHBondContact O-CG 3.3Å; L403-M407 PolarHBondContact O-N 2.9Å; A404-M407 WeakPolarHBondContact O-CB 3.38Å; A404-M407 PolarHBondContact O-N 2.96Å; S405-M407 PolarHBondContact O-N 2.84Å; M407-I412 HydrophobicContact CG-CD1 4.49Å; M407-I412 HydrophobicContact CG-CG1 4.34Å; M407-I412 HydrophobicContact SD-CD1 3.6Å; M407-I412 VanDerWaalsContact SD-CD1 3.6Å; M407-I412 HydrophobicContact SD-CG1 4.03Å; M407-V415 HydrophobicContact CG-CG2 4.06Å |
| 408 | H | 94.8 | Very high | 97 | Very high | 15 Ų | 15 | 28.1 Ų | 28.1 | 7% | 0.069 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -75.3 | -28.7 | 170.7 | -69.3 | -50.8 | 0 | 0 | 0 | 112.7 | D57 L219 S221 R251 S405 D406 | D57-H408 PolarHBondContact O-NE2 3.12Å; D57-H408 IonicContact OD1-CD2 2.65Å; D57-H408 PolarHBondContact OD1-CD2 3.18Å; D57-H408 IonicContact OD1-NE2 2.92Å; D57-H408 PolarHBondContact OD1-NE2 3.47Å; L219-H408 PolarHBondContact O-CE1 2.89Å; S221-H408 PolarHBondContact OG-CE1 2.72Å; S221-H408 PolarHBondContact OG-NE2 2.89Å; R251-H408 PolarHBondContact NH1-O 2.9Å; R251-H408 VanDerWaalsContact NH1-O 3.12Å; R251-H408 PolarHBondContact NH2-ND1 2.78Å; S405-H408 WeakPolarHBondContact O-CB 3.45Å; S405-H408 PolarHBondContact O-N 2.94Å; D406-H408 PolarHBondContact O-N 3.43Å |
| 409 | H | 93.2 | Very high | 96.9 | Very high | 70 Ų | 70 | 23.7 Ų | 23.7 | 32% | 0.324 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -97.3 | -36.9 | -171.9 | -59.5 | -62.8 | 0 | 0 | 0 | 113.2 | T289 S405 D406 | T289-H409 HydrophobicContact CG2-CB 3.68Å; S405-H409 PolarHBondContact O-CD2 2.9Å; S405-H409 VanDerWaalsContact O-CD2 3.3Å; D406-H409 PolarHBondContact O-N 3.18Å |
| 410 | Y | 95.5 | Very high | 96.8 | Very high | 38 Ų | 38 | 25.3 Ų | 25.3 | 15% | 0.149 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -114.8 | 158.8 | -172.7 | -47.9 | -56.9 | 0 | 0 | 0 | 113.4 | T289 Y292 D406 V415 A418 P419 | T289-Y410 HydrophobicContact CG2-CE1 4.4Å; Y292-Y410 AromaticContact CD1-CD1 3.92Å; Y292-Y410 HydrophobicContact CD1-CD1 3.92Å; Y292-Y410 HydrophobicContact CD1-CE1 4.18Å; Y292-Y410 HydrophobicContact CD2-CD1 4.19Å; Y292-Y410 HydrophobicContact CD2-CE1 4.38Å; Y292-Y410 HydrophobicContact CE1-CD1 4.23Å; Y292-Y410 HydrophobicContact CE2-CD1 4.47Å; Y292-Y410 AromaticContact CG-CD1 3.9Å; Y292-Y410 HydrophobicContact CG-CD1 3.9Å; Y292-Y410 AromaticContact CG-CE1 3.88Å; Y292-Y410 HydrophobicContact CG-CE1 3.88Å; D406-Y410 HydrophobicContact CB-CD2 3.93Å; D406-Y410 HydrophobicContact CB-CE2 4.06Å; D406-Y410 VanDerWaalsContact O-CD2 3.31Å; D406-Y410 WeakPolarHBondContact O-CD2 3.25Å; D406-Y410 PolarHBondContact O-N 3.38Å; Y410-V415 HydrophobicContact CD2-CG2 4.5Å; Y410-A418 HydrophobicContact CD1-CB 3.55Å; Y410-A418 HydrophobicContact CD2-CB 3.82Å; Y410-A418 HydrophobicContact CE1-CB 4.01Å; Y410-A418 HydrophobicContact CE2-CB 4.26Å; Y410-A418 HydrophobicContact CG-CB 3.45Å; Y410-A418 VanDerWaalsContact CG-CB 3.45Å; Y410-P419 HydrophobicContact CE2-CG 4.03Å |
| 411 | P | 95.7 | Very high | 96.6 | Very high | 53 Ų | 53 | 27.1 Ų | 27.1 | 34% | 0.344 | 14% | 0.144 | S | C | . | . | trans | -58.2 | 141.8 | 162.9 | -20 | 32.8 | 0 | 0 | 0 | 110.5 | Y292 E413 E414 V415 | Y292-P411 VanDerWaalsContact OH-CD 3.32Å; Y292-P411 WeakPolarHBondContact OH-CD 3.37Å; P411-E413 VanDerWaalsContact C-N 3.25Å; P411-E413 PolarHBondContact O-N 2.85Å; P411-E414 HydrophobicContact CB-CB 4.45Å; P411-E414 HydrophobicContact CB-CG 4.33Å; P411-E414 HydrophobicContact CG-CG 4.47Å; P411-E414 PolarHBondContact O-N 3.1Å; P411-V415 PolarHBondContact O-N 3.17Å; P411-V415 VanDerWaalsContact O-N 3.1Å | ||
| 412 | I | 96.8 | Very high | 96.4 | Very high | 19 Ų | 19 | 26.6 Ų | 26.6 | 10% | 0.097 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -32.2 | -174 | -163.8 | 162.1 | 0 | 0 | 0 | 112.3 | G32 V41 L42 M407 E414 V415 | G32-I412 VanDerWaalsContact CA-CD1 3.44Å; V41-I412 WeakPolarHBondContact O-CD1 3.27Å; L42-I412 HydrophobicContact CD1-CG1 4.25Å; M407-I412 HydrophobicContact CG-CD1 4.49Å; M407-I412 HydrophobicContact CG-CG1 4.34Å; M407-I412 HydrophobicContact SD-CD1 3.6Å; M407-I412 VanDerWaalsContact SD-CD1 3.6Å; M407-I412 HydrophobicContact SD-CG1 4.03Å; I412-E414 VanDerWaalsContact C-N 3.27Å; I412-E414 PolarHBondContact O-N 3.49Å; I412-V415 WeakPolarHBondContact O-CG1 3.24Å |
| 413 | E | 97.6 | Very high | 96.3 | Very high | 36 Ų | 36 | 26.7 Ų | 26.7 | 17% | 0.168 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -30.7 | 172.8 | -68.2 | 76.7 | -166.6 | 0 | 0 | 113.6 | R15 S17 I21 P411 | R15-E413 IonicContact CZ-OE1 2.76Å; R15-E413 IonicContact NE-OE1 3.53Å; R15-E413 VanDerWaalsContact NH2-CD 3.29Å; R15-E413 IonicContact NH2-OE1 2.75Å; R15-E413 PolarHBondContact NH2-OE1 3.2Å; R15-E413 IonicContact NH2-OE2 3.62Å; R15-E413 PolarHBondContact NH2-OE2 3.3Å; S17-E413 WeakPolarHBondContact CB-OE1 3.42Å; S17-E413 WeakPolarHBondContact OG-CG 3.48Å; S17-E413 PolarHBondContact OG-OE1 3.46Å; I21-E413 PolarHBondContact N-O 2.88Å; P411-E413 VanDerWaalsContact C-N 3.25Å; P411-E413 PolarHBondContact O-N 2.85Å |
| 414 | E | 97.1 | Very high | 96.2 | Very high | 26 Ų | 26 | 30.2 Ų | 30.2 | 12% | 0.121 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | -9 | -174.6 | -58.2 | -161.2 | -149.9 | 0 | 0 | 112.9 | I21 Y292 K293 P411 I412 L416 F417 A418 R421 | I21-E414 HydrophobicContact CD1-CG 4.25Å; Y292-E414 WeakPolarHBondContact CE2-OE2 2.95Å; Y292-E414 PolarHBondContact OH-OE2 3.31Å; K293-E414 WeakPolarHBondContact CE-OE1 3.14Å; K293-E414 WeakPolarHBondContact CE-OE2 3.38Å; K293-E414 IonicContact NZ-OE1 2.71Å; K293-E414 PolarHBondContact NZ-OE1 3.47Å; K293-E414 IonicContact NZ-OE2 2.97Å; P411-E414 HydrophobicContact CB-CB 4.45Å; P411-E414 HydrophobicContact CB-CG 4.33Å; P411-E414 HydrophobicContact CG-CG 4.47Å; P411-E414 PolarHBondContact O-N 3.1Å; I412-E414 VanDerWaalsContact C-N 3.27Å; I412-E414 PolarHBondContact O-N 3.49Å; E414-L416 VanDerWaalsContact C-N 3.27Å; E414-L416 PolarHBondContact O-N 3.07Å; E414-F417 CarbonylContact O-C 3.54Å; E414-F417 PolarHBondContact O-N 3.15Å; E414-A418 HydrophobicContact CB-CB 4.38Å; E414-A418 WeakPolarHBondContact O-CB 2.91Å; E414-A418 PolarHBondContact O-N 3.27Å; E414-R421 VanDerWaalsContact CD-NH1 3.27Å; E414-R421 IonicContact OE1-NH1 3.65Å; E414-R421 PolarHBondContact OE1-NH1 2.83Å; E414-R421 IonicContact OE2-CZ 3.7Å; E414-R421 IonicContact OE2-NE 2.77Å; E414-R421 IonicContact OE2-NH1 3.93Å; E414-R421 PolarHBondContact OE2-NH1 2.97Å |
| 415 | V | 97.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | -32.6 | -164.6 | 73.3 | 0 | 0 | 0 | 0 | 115.4 | L42 L403 D406 M407 Y410 P411 I412 | L42-V415 HydrophobicContact CD2-CG1 3.92Å; L403-V415 HydrophobicContact CD2-CG1 4.47Å; L403-V415 HydrophobicContact CD2-CG2 4.22Å; D406-V415 HydrophobicContact CB-CG2 3.56Å; M407-V415 HydrophobicContact CG-CG2 4.06Å; Y410-V415 HydrophobicContact CD2-CG2 4.5Å; P411-V415 PolarHBondContact O-N 3.17Å; P411-V415 VanDerWaalsContact O-N 3.1Å; I412-V415 WeakPolarHBondContact O-CG1 3.24Å |
| 416 | L | 97.8 | Very high | 96 | Very high | 14 Ų | 14 | 35.9 Ų | 35.9 | 7% | 0.073 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76 | -32.3 | 176.9 | -61.3 | 172.5 | 0 | 0 | 0 | 113 | I20 I21 K22 Y30 F388 L403 E414 | I20-L416 HydrophobicContact CG2-CD1 3.76Å; I20-L416 HydrophobicContact CG2-CG 4.18Å; I21-L416 WeakPolarHBondContact O-CB 3.31Å; K22-L416 HydrophobicContact CB-CD1 3.69Å; Y30-L416 HydrophobicContact CD1-CD1 4.01Å; Y30-L416 HydrophobicContact CD2-CD1 4.18Å; Y30-L416 HydrophobicContact CE1-CD1 3.79Å; Y30-L416 HydrophobicContact CE1-CD2 3.89Å; Y30-L416 HydrophobicContact CE1-CG 4.4Å; Y30-L416 HydrophobicContact CE2-CD1 3.97Å; Y30-L416 HydrophobicContact CG-CD1 4.2Å; F388-L416 HydrophobicContact CE2-CB 4.28Å; F388-L416 VanDerWaalsContact CE2-O 3.3Å; F388-L416 WeakPolarHBondContact CE2-O 3.43Å; L403-L416 HydrophobicContact CD1-CD2 3.47Å; L403-L416 VanDerWaalsContact CD1-CD2 3.47Å; L403-L416 HydrophobicContact CD2-CD2 3.79Å; L403-L416 HydrophobicContact CG-CD2 4.29Å; E414-L416 VanDerWaalsContact C-N 3.27Å; E414-L416 PolarHBondContact O-N 3.07Å |
| 417 | F | 97 | Very high | 96 | Very high | 27 Ų | 27 | 36.7 Ų | 36.7 | 12% | 0.118 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | -30.1 | -172.4 | 179.1 | -128.2 | 0 | 0 | 0 | 112.9 | I21 F388 E414 P419 Y420 R421 | I21-F417 HydrophobicContact CB-CB 4.37Å; I21-F417 HydrophobicContact CG2-CB 3.93Å; I21-F417 HydrophobicContact CG2-CD1 4.19Å; I21-F417 HydrophobicContact CG2-CG 4.18Å; F388-F417 HydrophobicContact CB-CD2 4.4Å; F388-F417 AromaticContact CD1-CD2 3.53Å; F388-F417 HydrophobicContact CD1-CD2 3.53Å; F388-F417 AromaticContact CD1-CE2 3.99Å; F388-F417 HydrophobicContact CD1-CE2 3.99Å; F388-F417 HydrophobicContact CD1-CG 4.46Å; F388-F417 HydrophobicContact CD2-CD2 4.07Å; F388-F417 HydrophobicContact CE1-CB 4.17Å; F388-F417 AromaticContact CE1-CD2 3.63Å; F388-F417 HydrophobicContact CE1-CD2 3.63Å; F388-F417 HydrophobicContact CE1-CE2 4.39Å; F388-F417 HydrophobicContact CE1-CG 4.14Å; F388-F417 HydrophobicContact CE2-CB 3.95Å; F388-F417 HydrophobicContact CE2-CD2 4.17Å; F388-F417 AromaticContact CG-CD2 3.74Å; F388-F417 HydrophobicContact CG-CD2 3.74Å; F388-F417 HydrophobicContact CG-CE2 4.31Å; F388-F417 HydrophobicContact CZ-CB 3.69Å; F388-F417 AromaticContact CZ-CD2 3.94Å; F388-F417 HydrophobicContact CZ-CD2 3.94Å; F388-F417 HydrophobicContact CZ-CG 4.16Å; E414-F417 CarbonylContact O-C 3.54Å; E414-F417 PolarHBondContact O-N 3.15Å; F417-P419 VanDerWaalsContact C-CD 3.44Å; F417-P419 VanDerWaalsContact C-N 3.32Å; F417-Y420 CarbonylContact O-C 3.53Å; F417-Y420 WeakPolarHBondContact O-CA 3.36Å; F417-Y420 WeakPolarHBondContact O-CB 3.46Å; F417-Y420 PolarHBondContact O-N 2.78Å; F417-R421 HydrophobicContact CD1-CB 4.03Å; F417-R421 HydrophobicContact CD1-CG 4.19Å; F417-R421 HydrophobicContact CE1-CB 3.78Å; F417-R421 HydrophobicContact CE1-CG 3.62Å; F417-R421 HydrophobicContact CE2-CB 4.43Å; F417-R421 HydrophobicContact CG-CB 4.48Å; F417-R421 HydrophobicContact CZ-CB 3.99Å; F417-R421 HydrophobicContact CZ-CG 4.05Å; F417-R421 PolarHBondContact O-N 2.93Å |
| 418 | A | 96.8 | Very high | 96 | Very high | 2 Ų | 2 | 39.8 Ų | 39.8 | 2% | 0.017 | 20% | 0.195 | C | C | . | . | G | 310 helix | trans | -51 | -39.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y292 Y410 E414 Y420 R421 | Y292-A418 HydrophobicContact CD2-CB 3.6Å; Y292-A418 HydrophobicContact CE2-CB 3.63Å; Y292-A418 HydrophobicContact CG-CB 4.48Å; Y410-A418 HydrophobicContact CD1-CB 3.55Å; Y410-A418 HydrophobicContact CD2-CB 3.82Å; Y410-A418 HydrophobicContact CE1-CB 4.01Å; Y410-A418 HydrophobicContact CE2-CB 4.26Å; Y410-A418 HydrophobicContact CG-CB 3.45Å; Y410-A418 VanDerWaalsContact CG-CB 3.45Å; E414-A418 HydrophobicContact CB-CB 4.38Å; E414-A418 WeakPolarHBondContact O-CB 2.91Å; E414-A418 PolarHBondContact O-N 3.27Å; A418-Y420 PolarHBondContact O-N 2.77Å; A418-R421 PolarHBondContact O-N 3.1Å |
| 419 | P | 94.7 | Very high | 96.1 | Very high | 63 Ų | 63 | 39.9 Ų | 39.9 | 41% | 0.409 | 20% | 0.196 | S | C | . | . | G | 310 helix | trans | -65.6 | -17.6 | 174.3 | -23.4 | 35.7 | 0 | 0 | 0 | 115.3 | Y410 F417 | Y410-P419 HydrophobicContact CE2-CG 4.03Å; F417-P419 VanDerWaalsContact C-CD 3.44Å; F417-P419 VanDerWaalsContact C-N 3.32Å |
| 420 | Y | 95.7 | Very high | 96.2 | Very high | 40 Ų | 40 | 36.9 Ų | 36.9 | 16% | 0.157 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -106.2 | -10.7 | -180 | -61.9 | -80.9 | 0 | 0 | 0 | 113.2 | E387 F388 K391 F417 A418 | E387-Y420 HydrophobicContact CB-CD1 4.2Å; E387-Y420 HydrophobicContact CB-CE1 4.11Å; E387-Y420 HydrophobicContact CG-CD1 4.35Å; E387-Y420 HydrophobicContact CG-CE1 3.75Å; F388-Y420 HydrophobicContact CB-CD1 4.19Å; F388-Y420 HydrophobicContact CB-CD2 4.15Å; F388-Y420 HydrophobicContact CB-CG 3.79Å; F388-Y420 AromaticContact CD2-CD2 3.65Å; F388-Y420 HydrophobicContact CD2-CD2 3.65Å; F388-Y420 HydrophobicContact CD2-CE2 4.18Å; F388-Y420 HydrophobicContact CD2-CG 4.17Å; F388-Y420 HydrophobicContact CG-CD2 4.31Å; F388-Y420 HydrophobicContact CG-CG 4.38Å; K391-Y420 HydrophobicContact CD-CE2 4.3Å; K391-Y420 WeakPolarHBondContact CE-OH 3.43Å; K391-Y420 PolarHBondContact NZ-OH 3.09Å; F417-Y420 CarbonylContact O-C 3.53Å; F417-Y420 WeakPolarHBondContact O-CA 3.36Å; F417-Y420 WeakPolarHBondContact O-CB 3.46Å; F417-Y420 PolarHBondContact O-N 2.78Å; A418-Y420 PolarHBondContact O-N 2.77Å |
| 421 | R | 95 | Very high | 96.3 | Very high | 38 Ų | 38 | 39.4 Ų | 39.4 | 14% | 0.143 | 19% | 0.193 | C | C | . | . | trans | -79.2 | 129.6 | -171.5 | -175.2 | 175.2 | 176.9 | 153.5 | 13.4 | 110.5 | Y292 E414 F417 A418 D423 | Y292-R421 VanDerWaalsContact O-O 3.06Å; E414-R421 VanDerWaalsContact CD-NH1 3.27Å; E414-R421 IonicContact OE1-NH1 3.65Å; E414-R421 PolarHBondContact OE1-NH1 2.83Å; E414-R421 IonicContact OE2-CZ 3.7Å; E414-R421 IonicContact OE2-NE 2.77Å; E414-R421 IonicContact OE2-NH1 3.93Å; E414-R421 PolarHBondContact OE2-NH1 2.97Å; F417-R421 HydrophobicContact CD1-CB 4.03Å; F417-R421 HydrophobicContact CD1-CG 4.19Å; F417-R421 HydrophobicContact CE1-CB 3.78Å; F417-R421 HydrophobicContact CE1-CG 3.62Å; F417-R421 HydrophobicContact CE2-CB 4.43Å; F417-R421 HydrophobicContact CG-CB 4.48Å; F417-R421 HydrophobicContact CZ-CB 3.99Å; F417-R421 HydrophobicContact CZ-CG 4.05Å; F417-R421 PolarHBondContact O-N 2.93Å; A418-R421 PolarHBondContact O-N 3.1Å; R421-D423 VanDerWaalsContact CG-OD1 3.29Å; R421-D423 WeakPolarHBondContact CG-OD1 3.37Å; R421-D423 IonicContact CZ-OD1 3.51Å; R421-D423 IonicContact CZ-OD2 3.76Å; R421-D423 VanDerWaalsContact CZ-OD2 3.27Å; R421-D423 VanDerWaalsContact NE-CG 3.35Å; R421-D423 IonicContact NE-OD1 3.69Å; R421-D423 PolarHBondContact NE-OD1 3.06Å; R421-D423 IonicContact NE-OD2 2.77Å; R421-D423 PolarHBondContact NE-OD2 3.05Å; R421-D423 IonicContact NH2-OD1 2.69Å; R421-D423 PolarHBondContact NH2-OD1 3.12Å; R421-D423 IonicContact NH2-OD2 3.22Å; R421-D423 PolarHBondContact NH2-OD2 2.9Å | ||
| 422 | M | 93.6 | Very high | 96.3 | Very high | 12 Ų | 12 | 40.8 Ų | 40.8 | 6% | 0.059 | 20% | 0.197 | C | C | . | . | trans | -154.5 | 50 | 178.3 | -168 | 167.1 | 172.6 | 0 | 0 | 109.9 | K293 N295 Q298 H377 C380 E381 | K293-M422 CarbonylContact O-C 3.56Å; K293-M422 VanDerWaalsContact O-CA 3.3Å; K293-M422 WeakPolarHBondContact O-CA 3.3Å; N295-M422 HydrophobicContact CB-CG 4.46Å; N295-M422 HydrophobicContact CB-SD 4.37Å; Q298-M422 HydrophobicContact CB-CE 3.8Å; Q298-M422 HydrophobicContact CB-SD 4.02Å; Q298-M422 HydrophobicContact CG-CE 3.84Å; Q298-M422 HydrophobicContact CG-SD 3.74Å; H377-M422 HydrophobicContact CB-CE 4.3Å; H377-M422 WeakPolarHBondContact ND1-CE 3.34Å; H377-M422 PolarHBondContact NE2-O 3.45Å; C380-M422 HydrophobicContact CB-CE 3.84Å; C380-M422 HydrophobicContact CB-SD 3.54Å; C380-M422 VanDerWaalsContact CB-SD 3.54Å; E381-M422 HydrophobicContact CB-CB 4.46Å; E381-M422 VanDerWaalsContact CB-O 3.3Å; E381-M422 WeakPolarHBondContact CB-O 3.14Å; E381-M422 VanDerWaalsContact CG-O 3.28Å; E381-M422 WeakPolarHBondContact CG-O 3.21Å | ||
| 423 | D | 94.3 | Very high | 96.3 | Very high | 57 Ų | 57 | 40.2 Ų | 40.2 | 31% | 0.305 | 19% | 0.194 | S | C | . | . | trans | -90.3 | -22.3 | -174.8 | 56.1 | -21.5 | 0 | 0 | 0 | 113.6 | K293 R378 R421 | K293-D423 PolarHBondContact O-N 3.11Å; R378-D423 PolarHBondContact NH1-O 3.39Å; R421-D423 VanDerWaalsContact CG-OD1 3.29Å; R421-D423 WeakPolarHBondContact CG-OD1 3.37Å; R421-D423 IonicContact CZ-OD1 3.51Å; R421-D423 IonicContact CZ-OD2 3.76Å; R421-D423 VanDerWaalsContact CZ-OD2 3.27Å; R421-D423 VanDerWaalsContact NE-CG 3.35Å; R421-D423 IonicContact NE-OD1 3.69Å; R421-D423 PolarHBondContact NE-OD1 3.06Å; R421-D423 IonicContact NE-OD2 2.77Å; R421-D423 PolarHBondContact NE-OD2 3.05Å; R421-D423 IonicContact NH2-OD1 2.69Å; R421-D423 PolarHBondContact NH2-OD1 3.12Å; R421-D423 IonicContact NH2-OD2 3.22Å; R421-D423 PolarHBondContact NH2-OD2 2.9Å | ||
| 424 | E | 96.4 | Very high | 96.3 | Very high | 80 Ų | 80 | 38.6 Ų | 38.6 | 37% | 0.374 | 19% | 0.187 | S | C | . | . | trans | -90.9 | 102.4 | 179.1 | -70 | -176.6 | -153.1 | 0 | 0 | 112.7 | K293 S294 H377 R426 | K293-E424 HydrophobicContact CB-CB 4.29Å; K293-E424 HydrophobicContact CB-CG 4.03Å; K293-E424 WeakPolarHBondContact CD-OE1 3.22Å; K293-E424 PolarHBondContact O-N 3.08Å; S294-E424 WeakPolarHBondContact CA-O 3.4Å; S294-E424 WeakPolarHBondContact CB-O 3.4Å; H377-E424 PolarHBondContact CE1-O 3.3Å; H377-E424 VanDerWaalsContact CE1-O 3.26Å; E424-R426 HydrophobicContact CB-CG 4.35Å; E424-R426 PolarHBondContact O-N 2.9Å; E424-R426 VanDerWaalsContact O-N 3.13Å | ||
| 425 | F | 96.5 | Very high | 96.2 | Very high | 51 Ų | 51 | 43.7 Ų | 43.7 | 22% | 0.224 | 21% | 0.211 | C | C | . | . | trans | -73.4 | 106.9 | 173.4 | -177.6 | -124 | 0 | 0 | 0 | 111.6 | V372 E374 H377 P427 | V372-F425 HydrophobicContact CG1-CE2 3.91Å; V372-F425 HydrophobicContact CG1-CZ 4.16Å; V372-F425 WeakPolarHBondContact O-CZ 3.34Å; E374-F425 HydrophobicContact CB-CD1 4.06Å; E374-F425 HydrophobicContact CB-CE1 3.7Å; E374-F425 HydrophobicContact CB-CE2 4.22Å; E374-F425 HydrophobicContact CB-CG 4.47Å; E374-F425 HydrophobicContact CB-CZ 3.79Å; E374-F425 HydrophobicContact CG-CD1 3.81Å; E374-F425 HydrophobicContact CG-CD2 4.3Å; E374-F425 HydrophobicContact CG-CE1 4.01Å; E374-F425 HydrophobicContact CG-CE2 4.47Å; E374-F425 HydrophobicContact CG-CG 3.97Å; E374-F425 HydrophobicContact CG-CZ 4.34Å; H377-F425 HydrophobicContact CB-CD2 3.73Å; H377-F425 HydrophobicContact CB-CE2 4.05Å; H377-F425 AromaticContact CD2-CD2 3.84Å; H377-F425 AromaticContact CG-CD2 3.57Å; H377-F425 AromaticContact ND1-CD2 3.85Å; H377-F425 WeakPolarHBondContact NE2-CA 3.37Å; H377-F425 PolarHBondContact NE2-N 3.32Å; F425-P427 HydrophobicContact CD1-CG 4.4Å; F425-P427 HydrophobicContact CE1-CB 4.28Å; F425-P427 HydrophobicContact CE1-CG 3.85Å; F425-P427 HydrophobicContact CE2-CB 4.39Å; F425-P427 HydrophobicContact CZ-CB 3.89Å; F425-P427 HydrophobicContact CZ-CG 3.99Å; F425-P427 WeakPolarHBondContact O-CD 3.28Å | ||
| 426 | R | 96.5 | Very high | 96.2 | Very high | 88 Ų | 88 | 47.6 Ų | 47.6 | 33% | 0.332 | 23% | 0.228 | S | C | . | . | trans | -122.3 | 74.2 | -176.6 | -67.5 | -64.7 | -59.1 | -83.2 | -3.8 | 112.5 | E424 D428 L429 V430 | E424-R426 HydrophobicContact CB-CG 4.35Å; E424-R426 PolarHBondContact O-N 2.9Å; E424-R426 VanDerWaalsContact O-N 3.13Å; R426-D428 IonicContact CZ-OD1 3.58Å; R426-D428 IonicContact CZ-OD2 3.21Å; R426-D428 IonicContact NE-OD1 3.26Å; R426-D428 PolarHBondContact NE-OD1 2.77Å; R426-D428 IonicContact NE-OD2 2.92Å; R426-D428 PolarHBondContact NE-OD2 3Å; R426-D428 IonicContact NH2-OD1 3.3Å; R426-D428 IonicContact NH2-OD2 2.69Å; R426-D428 PolarHBondContact NH2-OD2 3.45Å; R426-D428 PolarHBondContact O-N 3.47Å; R426-L429 HydrophobicContact CB-CB 4.25Å; R426-L429 HydrophobicContact CB-CD1 3.79Å; R426-L429 HydrophobicContact CB-CG 3.99Å; R426-L429 HydrophobicContact CG-CD1 4.16Å; R426-L429 PolarHBondContact O-N 3.39Å; R426-L429 VanDerWaalsContact O-N 3.17Å; R426-V430 PolarHBondContact O-N 3.19Å | ||
| 427 | P | 96.3 | Very high | 96.2 | Very high | 41 Ų | 41 | 47 Ų | 47 | 27% | 0.266 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -62.3 | -28.2 | -178.9 | 26.1 | -34.6 | 0 | 0 | 0 | 112.6 | V372 F425 L429 V430 Y431 | V372-P427 HydrophobicContact CB-CB 4.05Å; V372-P427 HydrophobicContact CG1-CB 4.13Å; F425-P427 HydrophobicContact CD1-CG 4.4Å; F425-P427 HydrophobicContact CE1-CB 4.28Å; F425-P427 HydrophobicContact CE1-CG 3.85Å; F425-P427 HydrophobicContact CE2-CB 4.39Å; F425-P427 HydrophobicContact CZ-CB 3.89Å; F425-P427 HydrophobicContact CZ-CG 3.99Å; F425-P427 WeakPolarHBondContact O-CD 3.28Å; P427-L429 VanDerWaalsContact C-N 3.34Å; P427-L429 PolarHBondContact O-N 3.3Å; P427-V430 WeakPolarHBondContact O-CB 3.44Å; P427-V430 PolarHBondContact O-N 3.03Å; P427-Y431 HydrophobicContact CB-CE2 4.39Å; P427-Y431 WeakPolarHBondContact O-CD2 3.29Å; P427-Y431 PolarHBondContact O-N 2.75Å |
| 428 | D | 96.8 | Very high | 96.2 | Very high | 65 Ų | 65 | 47.3 Ų | 47.3 | 35% | 0.348 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -58.1 | -42.9 | 174.4 | 62.4 | -60.5 | 0 | 0 | 0 | 112.5 | R426 V430 Y431 N432 | R426-D428 IonicContact CZ-OD1 3.58Å; R426-D428 IonicContact CZ-OD2 3.21Å; R426-D428 IonicContact NE-OD1 3.26Å; R426-D428 PolarHBondContact NE-OD1 2.77Å; R426-D428 IonicContact NE-OD2 2.92Å; R426-D428 PolarHBondContact NE-OD2 3Å; R426-D428 IonicContact NH2-OD1 3.3Å; R426-D428 IonicContact NH2-OD2 2.69Å; R426-D428 PolarHBondContact NH2-OD2 3.45Å; R426-D428 PolarHBondContact O-N 3.47Å; D428-V430 VanDerWaalsContact C-N 3.34Å; D428-Y431 PolarHBondContact O-N 2.92Å; D428-N432 PolarHBondContact O-N 3.1Å; D428-N432 PolarHBondContact O-ND2 3.02Å; D428-N432 PolarHBondContact O-OD1 3.44Å |
| 429 | L | 96.8 | Very high | 96.3 | Very high | 17 Ų | 17 | 47.2 Ų | 47.2 | 9% | 0.089 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -69.3 | -33.5 | 177.1 | -61.9 | -179.3 | 0 | 0 | 0 | 112 | F291 P296 R426 P427 N432 L433 | F291-L429 HydrophobicContact CB-CD1 4.07Å; F291-L429 HydrophobicContact CD1-CD1 3.49Å; F291-L429 VanDerWaalsContact CD1-CD1 3.49Å; F291-L429 HydrophobicContact CD1-CD2 4.4Å; F291-L429 HydrophobicContact CD2-CD1 4.44Å; F291-L429 HydrophobicContact CE1-CD1 3.98Å; F291-L429 HydrophobicContact CE1-CD2 4.09Å; F291-L429 HydrophobicContact CG-CD1 3.76Å; F291-L429 HydrophobicContact CZ-CD2 4.15Å; P296-L429 HydrophobicContact CB-CB 3.62Å; P296-L429 HydrophobicContact CG-CB 4Å; P296-L429 HydrophobicContact CG-CD1 4.49Å; R426-L429 HydrophobicContact CB-CB 4.25Å; R426-L429 HydrophobicContact CB-CD1 3.79Å; R426-L429 HydrophobicContact CB-CG 3.99Å; R426-L429 HydrophobicContact CG-CD1 4.16Å; R426-L429 PolarHBondContact O-N 3.39Å; R426-L429 VanDerWaalsContact O-N 3.17Å; P427-L429 VanDerWaalsContact C-N 3.34Å; P427-L429 PolarHBondContact O-N 3.3Å; L429-N432 PolarHBondContact O-N 3.23Å; L429-L433 PolarHBondContact O-N 2.95Å |
| 430 | V | 96.6 | Very high | 96.4 | Very high | 8 Ų | 8 | 47.8 Ų | 47.8 | 5% | 0.048 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -66.4 | -42.5 | 173.6 | -175 | 0 | 0 | 0 | 0 | 110.6 | P296 L299 P300 V372 R426 P427 D428 L433 L434 | P296-V430 HydrophobicContact CB-CG2 4.1Å; L299-V430 HydrophobicContact CD2-CG1 4.38Å; P300-V430 HydrophobicContact CG-CG1 3.81Å; V372-V430 HydrophobicContact CG1-CB 4.17Å; V372-V430 HydrophobicContact CG1-CG1 4.15Å; V372-V430 HydrophobicContact CG1-CG2 4.06Å; V372-V430 HydrophobicContact CG2-CB 3.94Å; V372-V430 HydrophobicContact CG2-CG1 3.67Å; R426-V430 PolarHBondContact O-N 3.19Å; P427-V430 WeakPolarHBondContact O-CB 3.44Å; P427-V430 PolarHBondContact O-N 3.03Å; D428-V430 VanDerWaalsContact C-N 3.34Å; V430-L433 PolarHBondContact O-N 2.94Å; V430-L434 HydrophobicContact CG1-CD1 4.18Å; V430-L434 VanDerWaalsContact O-CG 3.3Å; V430-L434 WeakPolarHBondContact O-CG 3.38Å; V430-L434 PolarHBondContact O-N 2.71Å |
| 431 | Y | 96.9 | Very high | 96.4 | Very high | 91 Ų | 91 | 47.2 Ų | 47.2 | 36% | 0.357 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -64.5 | -43 | 174.5 | -75.1 | -64.7 | 0 | 0 | 0 | 112.1 | G371 V372 P427 D428 L433 L434 E435 | G371-Y431 WeakPolarHBondContact CA-OH 3.29Å; V372-Y431 HydrophobicContact CB-CE2 4.47Å; V372-Y431 HydrophobicContact CG2-CD2 4.27Å; V372-Y431 HydrophobicContact CG2-CE1 4.2Å; V372-Y431 HydrophobicContact CG2-CE2 3.8Å; P427-Y431 HydrophobicContact CB-CE2 4.39Å; P427-Y431 WeakPolarHBondContact O-CD2 3.29Å; P427-Y431 PolarHBondContact O-N 2.75Å; D428-Y431 PolarHBondContact O-N 2.92Å; Y431-L433 VanDerWaalsContact C-N 3.27Å; Y431-L433 PolarHBondContact O-N 2.92Å; Y431-L434 HydrophobicContact CD1-CD1 4.24Å; Y431-L434 CarbonylContact O-C 3.56Å; Y431-L434 WeakPolarHBondContact O-CA 3.34Å; Y431-L434 PolarHBondContact O-N 3.48Å; Y431-L434 VanDerWaalsContact O-N 3.07Å; Y431-E435 WeakPolarHBondContact O-CG 3.28Å; Y431-E435 PolarHBondContact O-N 3.21Å |
| 432 | N | 96.2 | Very high | 96.6 | Very high | 82 Ų | 82 | 45.4 Ų | 45.4 | 44% | 0.439 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -58.8 | -37.1 | 174.7 | -66.7 | -15.6 | 0 | 0 | 0 | 112.6 | D428 L429 | D428-N432 PolarHBondContact O-N 3.1Å; D428-N432 PolarHBondContact O-ND2 3.02Å; D428-N432 PolarHBondContact O-OD1 3.44Å; L429-N432 PolarHBondContact O-N 3.23Å |
| 433 | L | 96.8 | Very high | 96.8 | Very high | 6 Ų | 6 | 44.9 Ų | 44.9 | 3% | 0.031 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66.6 | -48.1 | 171.6 | 171.2 | 58.9 | 0 | 0 | 0 | 111.1 | I285 L288 A297 P300 F339 L429 V430 Y431 E435 K436 M437 | I285-L433 HydrophobicContact CB-CD1 4.49Å; I285-L433 HydrophobicContact CD1-CD1 4.05Å; I285-L433 HydrophobicContact CG2-CD1 3.74Å; L288-L433 HydrophobicContact CD1-CD2 4.3Å; A297-L433 HydrophobicContact CB-CD2 3.92Å; P300-L433 HydrophobicContact CG-CD2 4.17Å; F339-L433 HydrophobicContact CD2-CD1 4.34Å; F339-L433 HydrophobicContact CD2-CD2 4.19Å; F339-L433 HydrophobicContact CE2-CD2 4.38Å; L429-L433 PolarHBondContact O-N 2.95Å; V430-L433 PolarHBondContact O-N 2.94Å; Y431-L433 VanDerWaalsContact C-N 3.27Å; Y431-L433 PolarHBondContact O-N 2.92Å; L433-E435 PolarHBondContact O-N 3.35Å; L433-K436 WeakPolarHBondContact O-CB 3.34Å; L433-K436 PolarHBondContact O-N 3.32Å; L433-M437 HydrophobicContact CD1-CG 4.5Å; L433-M437 HydrophobicContact CD1-SD 4.42Å; L433-M437 HydrophobicContact CG-SD 4.21Å; L433-M437 PolarHBondContact O-N 3.33Å |
| 434 | L | 96.7 | Very high | 97 | Very high | 2 Ų | 2 | 42.2 Ų | 42.2 | 1% | 0.01 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60 | -30.4 | 177.6 | -69.5 | 167.5 | 0 | 0 | 0 | 112.3 | P300 I364 I367 R368 V430 Y431 K436 M437 | P300-L434 HydrophobicContact CG-CD2 4.47Å; I364-L434 HydrophobicContact CG2-CD2 3.99Å; I367-L434 HydrophobicContact CG2-CD1 3.84Å; I367-L434 HydrophobicContact CG2-CD2 4.34Å; R368-L434 HydrophobicContact CG-CB 4.3Å; R368-L434 HydrophobicContact CG-CD1 4.17Å; R368-L434 PolarHBondContact NH2-O 3.28Å; V430-L434 HydrophobicContact CG1-CD1 4.18Å; V430-L434 VanDerWaalsContact O-CG 3.3Å; V430-L434 WeakPolarHBondContact O-CG 3.38Å; V430-L434 PolarHBondContact O-N 2.71Å; Y431-L434 HydrophobicContact CD1-CD1 4.24Å; Y431-L434 CarbonylContact O-C 3.56Å; Y431-L434 WeakPolarHBondContact O-CA 3.34Å; Y431-L434 PolarHBondContact O-N 3.48Å; Y431-L434 VanDerWaalsContact O-N 3.07Å; L434-K436 PolarHBondContact O-N 3.48Å; L434-M437 HydrophobicContact CD2-SD 4.13Å; L434-M437 PolarHBondContact O-N 3.04Å; L434-M437 VanDerWaalsContact O-N 3.16Å |
| 435 | E | 96.4 | Very high | 97.1 | Very high | 134 Ų | 134 | 38.4 Ų | 38.4 | 63% | 0.626 | 18% | 0.183 | S | C | * | . | H | α-helix | trans | -63.9 | -26.4 | 172.9 | -74.2 | -177.3 | 175.2 | 0 | 0 | 113.5 | Y431 L433 V438 | Y431-E435 WeakPolarHBondContact O-CG 3.28Å; Y431-E435 PolarHBondContact O-N 3.21Å; L433-E435 PolarHBondContact O-N 3.35Å; E435-V438 WeakPolarHBondContact O-CG1 3.44Å |
| 436 | K | 96.5 | Very high | 97.2 | Very high | 82 Ų | 82 | 36 Ų | 36 | 36% | 0.357 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -83.4 | -20.1 | 173.5 | -55.9 | -63.2 | -179.7 | 171.2 | 0 | 112.9 | I285 L433 L434 V438 N441 | I285-K436 HydrophobicContact CG2-CB 3.77Å; I285-K436 HydrophobicContact CG2-CG 4.25Å; L433-K436 WeakPolarHBondContact O-CB 3.34Å; L433-K436 PolarHBondContact O-N 3.32Å; L434-K436 PolarHBondContact O-N 3.48Å; K436-V438 PolarHBondContact O-N 3.46Å; K436-N441 WeakPolarHBondContact O-CB 3.24Å; K436-N441 PolarHBondContact O-ND2 3.27Å |
| 437 | M | 97.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.159 | C | C | . | . | trans | -83.8 | 55.6 | -180 | -60.4 | 179.3 | 73.3 | 0 | 0 | 111.9 | F283 L304 F339 I364 R368 L433 L434 | F283-M437 HydrophobicContact CD1-CB 4.46Å; F283-M437 HydrophobicContact CD2-CE 4.26Å; F283-M437 HydrophobicContact CD2-CG 4.31Å; F283-M437 HydrophobicContact CE2-CE 4.26Å; F283-M437 HydrophobicContact CG-CB 4.44Å; F283-M437 HydrophobicContact CG-CG 4.3Å; L304-M437 HydrophobicContact CD1-CE 3.56Å; F339-M437 HydrophobicContact CD1-CE 3.44Å; F339-M437 VanDerWaalsContact CD1-CE 3.44Å; F339-M437 HydrophobicContact CD1-SD 4.28Å; F339-M437 HydrophobicContact CD2-SD 4.42Å; F339-M437 HydrophobicContact CE1-CE 3.47Å; F339-M437 VanDerWaalsContact CE1-CE 3.47Å; F339-M437 HydrophobicContact CE1-SD 4.47Å; F339-M437 HydrophobicContact CG-CE 4Å; F339-M437 HydrophobicContact CG-SD 4.25Å; F339-M437 HydrophobicContact CZ-CE 4.04Å; I364-M437 HydrophobicContact CD1-CB 4.33Å; I364-M437 HydrophobicContact CD1-CE 4.08Å; I364-M437 HydrophobicContact CG1-CE 4.15Å; I364-M437 HydrophobicContact CG2-CB 4.22Å; R368-M437 PolarHBondContact NH2-O 2.99Å; L433-M437 HydrophobicContact CD1-CG 4.5Å; L433-M437 HydrophobicContact CD1-SD 4.42Å; L433-M437 HydrophobicContact CG-SD 4.21Å; L433-M437 PolarHBondContact O-N 3.33Å; L434-M437 HydrophobicContact CD2-SD 4.13Å; L434-M437 PolarHBondContact O-N 3.04Å; L434-M437 VanDerWaalsContact O-N 3.16Å | ||
| 438 | V | 97.3 | Very high | 97.4 | Very high | 34 Ų | 34 | 30.2 Ų | 30.2 | 21% | 0.206 | 15% | 0.146 | C | C | . | . | S | Bend | trans | -113.8 | 152 | -177.5 | -66 | 0 | 0 | 0 | 0 | 111.5 | E435 K436 E440 N441 | E435-V438 WeakPolarHBondContact O-CG1 3.44Å; K436-V438 PolarHBondContact O-N 3.46Å; V438-E440 PolarHBondContact O-N 2.99Å; V438-N441 HydrophobicContact CG2-CB 3.8Å; V438-N441 PolarHBondContact O-N 2.66Å |
| 439 | P | 97.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 14% | 0.141 | C | C | . | . | G | 310 helix | trans | -56.1 | -35.8 | -175.7 | -27.1 | 36 | 0 | 0 | 0 | 114.1 | F361 N441 M442 L476 C479 K480 | F361-P439 HydrophobicContact CD1-CG 4.04Å; F361-P439 HydrophobicContact CD2-CG 4.33Å; F361-P439 HydrophobicContact CE1-CB 4.47Å; F361-P439 HydrophobicContact CE1-CG 3.71Å; F361-P439 HydrophobicContact CE2-CB 4.26Å; F361-P439 HydrophobicContact CE2-CG 4Å; F361-P439 HydrophobicContact CG-CG 4.35Å; F361-P439 HydrophobicContact CZ-CB 4.01Å; F361-P439 HydrophobicContact CZ-CG 3.7Å; P439-N441 PolarHBondContact O-N 3.24Å; P439-M442 HydrophobicContact CB-CE 3.93Å; P439-M442 WeakPolarHBondContact O-CE 3.43Å; P439-M442 WeakPolarHBondContact O-CG 3.3Å; P439-M442 PolarHBondContact O-N 2.88Å; P439-L476 HydrophobicContact CB-CB 4.2Å; P439-L476 HydrophobicContact CB-CD2 3.72Å; P439-C479 HydrophobicContact CB-CB 4.06Å; P439-C479 HydrophobicContact CG-CB 3.52Å; P439-K480 HydrophobicContact CG-CB 4.08Å |
| 440 | E | 96.9 | Very high | 97.3 | Very high | 75 Ų | 75 | 32.1 Ų | 32.1 | 35% | 0.35 | 16% | 0.156 | S | C | . | . | G | 310 helix | trans | -71 | -14.7 | -179.8 | -54.2 | 95.9 | 141.9 | 0 | 0 | 113.5 | L264 G265 V438 K480 | L264-E440 WeakPolarHBondContact CB-O 3.26Å; G265-E440 PolarHBondContact N-O 3.42Å; V438-E440 PolarHBondContact O-N 2.99Å; E440-K480 WeakPolarHBondContact OE1-CD 3.28Å; E440-K480 IonicContact OE1-NZ 2.78Å; E440-K480 PolarHBondContact OE1-NZ 2.63Å; E440-K480 IonicContact OE2-NZ 3.67Å |
| 441 | N | 97.5 | Very high | 97.4 | Very high | 29 Ų | 29 | 32.8 Ų | 32.8 | 16% | 0.155 | 16% | 0.159 | C | C | . | . | G | 310 helix | trans | -105.7 | 7.1 | 178.7 | -165.9 | 50 | 0 | 0 | 0 | 112.7 | P284 K436 V438 P439 | P284-N441 WeakPolarHBondContact CD-O 3.26Å; P284-N441 PolarHBondContact O-ND2 3.24Å; K436-N441 WeakPolarHBondContact O-CB 3.24Å; K436-N441 PolarHBondContact O-ND2 3.27Å; V438-N441 HydrophobicContact CG2-CB 3.8Å; V438-N441 PolarHBondContact O-N 2.66Å; P439-N441 PolarHBondContact O-N 3.24Å |
| 442 | M | 97.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 17% | 0.171 | C | C | . | . | trans | -86.6 | 147.6 | -178.6 | 86.3 | 178.7 | 123.4 | 0 | 0 | 112.9 | G265 I281 Y282 F283 V357 F361 P439 L444 L471 F475 L476 | G265-M442 WeakPolarHBondContact CA-O 3.29Å; G265-M442 PolarHBondContact N-O 3.5Å; I281-M442 HydrophobicContact CG2-CB 4.09Å; I281-M442 HydrophobicContact CG2-SD 4.33Å; Y282-M442 CarbonylContact O-C 3.54Å; Y282-M442 WeakPolarHBondContact O-CA 3.21Å; F283-M442 HydrophobicContact CD1-CB 4.1Å; F283-M442 HydrophobicContact CE1-CB 3.71Å; F283-M442 HydrophobicContact CZ-CB 4.37Å; V357-M442 HydrophobicContact CG1-CE 4.31Å; V357-M442 HydrophobicContact CG1-SD 4.13Å; F361-M442 HydrophobicContact CE2-CE 4.03Å; F361-M442 HydrophobicContact CE2-SD 4.05Å; F361-M442 HydrophobicContact CZ-CE 4.41Å; F361-M442 HydrophobicContact CZ-SD 4.32Å; P439-M442 HydrophobicContact CB-CE 3.93Å; P439-M442 WeakPolarHBondContact O-CE 3.43Å; P439-M442 WeakPolarHBondContact O-CG 3.3Å; P439-M442 PolarHBondContact O-N 2.88Å; M442-L444 HydrophobicContact SD-CB 4.35Å; M442-L471 HydrophobicContact CE-CD1 3.51Å; M442-L471 HydrophobicContact SD-CD1 4.15Å; M442-F475 HydrophobicContact CE-CE1 4.43Å; M442-L476 HydrophobicContact CE-CD2 3.6Å | ||
| 443 | L | 98.1 | Very high | 97.3 | Very high | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 119.8 | 156.5 | -63.9 | 171 | 0 | 0 | 0 | 107.9 | Y259 I263 L264 I268 Y282 F445 | Y259-L443 HydrophobicContact CD1-CD1 3.81Å; Y259-L443 HydrophobicContact CD2-CD1 3.79Å; Y259-L443 HydrophobicContact CE1-CD1 3.75Å; Y259-L443 HydrophobicContact CE2-CD1 3.71Å; Y259-L443 HydrophobicContact CG-CD1 3.83Å; I263-L443 HydrophobicContact CG1-CD2 3.87Å; I263-L443 HydrophobicContact CG2-CD2 4.33Å; I263-L443 WeakPolarHBondContact O-CD2 3.18Å; L264-L443 HydrophobicContact CD2-CD1 4.5Å; L264-L443 HydrophobicContact CD2-CD2 4.17Å; L264-L443 HydrophobicContact CD2-CG 4.08Å; I268-L443 HydrophobicContact CD1-CB 4.23Å; I268-L443 HydrophobicContact CD1-CD2 4.26Å; Y282-L443 PolarHBondContact N-O 3.04Å; Y282-L443 PolarHBondContact O-N 3.4Å; L443-F445 HydrophobicContact CB-CD2 4.49Å; L443-F445 HydrophobicContact CB-CE2 3.94Å |
| 444 | L | 98.6 | Very high | 97.3 | Very high | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 95.7 | -175.5 | 174.3 | 64.9 | 0 | 0 | 0 | 110.3 | S266 R267 I268 M279 H280 I281 V353 V357 M442 V446 L471 | S266-L444 PolarHBondContact O-N 2.97Å; R267-L444 CarbonylContact C-O 3.51Å; R267-L444 VanDerWaalsContact CA-O 3.29Å; R267-L444 WeakPolarHBondContact CA-O 3.47Å; R267-L444 HydrophobicContact CB-CD2 4.26Å; R267-L444 HydrophobicContact CG-CD2 4.22Å; R267-L444 HydrophobicContact CG-CG 4.4Å; I268-L444 PolarHBondContact N-O 3.42Å; M279-L444 HydrophobicContact CG-CD1 3.56Å; M279-L444 HydrophobicContact SD-CD1 3.75Å; H280-L444 CarbonylContact O-C 3.38Å; H280-L444 WeakPolarHBondContact O-CA 3.39Å; I281-L444 HydrophobicContact CG1-CD1 3.93Å; V353-L444 HydrophobicContact CG1-CD2 4.24Å; V357-L444 HydrophobicContact CG2-CD1 3.72Å; V357-L444 HydrophobicContact CG2-CD2 3.98Å; M442-L444 HydrophobicContact SD-CB 4.35Å; L444-V446 HydrophobicContact CD1-CG2 4.48Å; L444-V446 HydrophobicContact CG-CG2 4.2Å; L444-L471 HydrophobicContact CD2-CD1 4.23Å; L444-L471 HydrophobicContact CD2-CD2 4.47Å |
| 445 | F | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 134.8 | 173 | -64.3 | -102.4 | 0 | 0 | 0 | 110.1 | L167 L170 E171 L174 I268 V270 M279 H280 Y282 L443 L447 | L167-F445 HydrophobicContact CD1-CB 4.46Å; L167-F445 HydrophobicContact CD1-CD1 3.72Å; L167-F445 HydrophobicContact CD1-CE1 4.24Å; L167-F445 HydrophobicContact CD1-CG 4.22Å; L170-F445 HydrophobicContact CD2-CE1 4.28Å; L170-F445 HydrophobicContact CG-CE1 4.28Å; E171-F445 HydrophobicContact CB-CZ 4.22Å; L174-F445 HydrophobicContact CD1-CE1 3.75Å; L174-F445 HydrophobicContact CD1-CZ 3.8Å; I268-F445 HydrophobicContact CB-CD1 3.8Å; I268-F445 HydrophobicContact CB-CE1 4.05Å; I268-F445 HydrophobicContact CB-CG 4.25Å; I268-F445 HydrophobicContact CD1-CD2 4.36Å; I268-F445 HydrophobicContact CD1-CE1 4.49Å; I268-F445 HydrophobicContact CD1-CE2 4.21Å; I268-F445 HydrophobicContact CD1-CZ 4.29Å; I268-F445 HydrophobicContact CG1-CD1 4.42Å; I268-F445 HydrophobicContact CG1-CE1 4.24Å; I268-F445 HydrophobicContact CG1-CZ 4.44Å; I268-F445 HydrophobicContact CG2-CD1 3.84Å; I268-F445 HydrophobicContact CG2-CE1 3.91Å; I268-F445 CarbonylContact O-C 3.18Å; I268-F445 WeakPolarHBondContact O-CA 3.43Å; V270-F445 HydrophobicContact CG2-CD1 4.19Å; M279-F445 CarbonylContact C-O 3.53Å; M279-F445 VanDerWaalsContact CA-O 3.29Å; M279-F445 WeakPolarHBondContact CA-O 2.9Å; H280-F445 HydrophobicContact CB-CB 4.15Å; H280-F445 PolarHBondContact N-O 2.8Å; H280-F445 PolarHBondContact O-N 3.39Å; Y282-F445 AromaticContact CD2-CD2 3.83Å; Y282-F445 HydrophobicContact CD2-CD2 3.83Å; Y282-F445 AromaticContact CD2-CE2 3.54Å; Y282-F445 HydrophobicContact CD2-CE2 3.54Å; Y282-F445 AromaticContact CE2-CD2 3.76Å; Y282-F445 HydrophobicContact CE2-CD2 3.76Å; Y282-F445 AromaticContact CE2-CE2 3.67Å; Y282-F445 HydrophobicContact CE2-CE2 3.67Å; Y282-F445 HydrophobicContact CE2-CZ 4.47Å; L443-F445 HydrophobicContact CB-CD2 4.49Å; L443-F445 HydrophobicContact CB-CE2 3.94Å; F445-L447 HydrophobicContact CB-CD1 4.26Å |
| 446 | V | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 112.6 | 173.3 | -171.8 | 0 | 0 | 0 | 0 | 108.2 | R267 I268 V270 S278 M279 L350 V353 L444 F451 | R267-V446 HydrophobicContact CG-CG2 4.22Å; I268-V446 PolarHBondContact O-N 3.27Å; V270-V446 PolarHBondContact N-O 2.75Å; S278-V446 WeakPolarHBondContact O-CA 3.4Å; M279-V446 HydrophobicContact CG-CG2 4.38Å; L350-V446 HydrophobicContact CD1-CG1 3.84Å; V353-V446 HydrophobicContact CG1-CG2 4.07Å; V353-V446 HydrophobicContact CG2-CG1 4.21Å; L444-V446 HydrophobicContact CD1-CG2 4.48Å; L444-V446 HydrophobicContact CG-CG2 4.2Å; V446-F451 HydrophobicContact CB-CE2 4.26Å; V446-F451 HydrophobicContact CB-CZ 4.38Å; V446-F451 HydrophobicContact CG1-CE2 3.95Å; V446-F451 HydrophobicContact CG1-CZ 3.95Å; V446-F451 WeakPolarHBondContact O-CE2 3.22Å |
| 447 | L | 98.4 | Very high | 97.4 | Very high | 7 Ų | 7 | 40.1 Ų | 40.1 | 4% | 0.037 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 124.6 | 178.6 | -73.6 | 65.5 | 0 | 0 | 0 | 108.6 | L167 V270 R277 S278 F445 | L167-L447 HydrophobicContact CD1-CD1 4.04Å; L167-L447 HydrophobicContact CD2-CD1 4.26Å; L167-L447 HydrophobicContact CD2-CD2 4.26Å; V270-L447 HydrophobicContact CB-CD1 4.26Å; V270-L447 HydrophobicContact CB-CG 4.02Å; V270-L447 HydrophobicContact CG1-CG 4.21Å; V270-L447 HydrophobicContact CG2-CD1 4.46Å; V270-L447 WeakPolarHBondContact O-CA 3.36Å; R277-L447 WeakPolarHBondContact CA-O 3.49Å; S278-L447 PolarHBondContact N-O 3.25Å; S278-L447 PolarHBondContact O-N 3.46Å; F445-L447 HydrophobicContact CB-CD1 4.26Å |
| 448 | S | 97.8 | Very high | 97.4 | Very high | 1 Ų | 1 | 45.9 Ų | 45.9 | 1% | 0.007 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.2 | 144.8 | 171.4 | 179.5 | 0 | 0 | 0 | 0 | 112.6 | V270 P272 L276 L350 T450 F451 | V270-S448 PolarHBondContact O-N 3.4Å; P272-S448 VanDerWaalsContact CD-C 3.47Å; L276-S448 WeakPolarHBondContact O-CA 3.44Å; L350-S448 WeakPolarHBondContact CD2-OG 3.34Å; S448-T450 WeakPolarHBondContact CB-OG1 3.26Å; S448-T450 PolarHBondContact O-N 3.21Å; S448-T450 WeakPolarHBondContact OG-CG2 3.44Å; S448-T450 PolarHBondContact OG-N 3.26Å; S448-T450 PolarHBondContact OG-OG1 3.38Å; S448-F451 VanDerWaalsContact O-CD2 3.31Å; S448-F451 WeakPolarHBondContact O-CD2 3.26Å; S448-F451 PolarHBondContact O-N 3.43Å |
| 449 | K | 96.4 | Very high | 97.4 | Very high | 55 Ų | 55 | 44.4 Ų | 44.4 | 24% | 0.239 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -59.9 | -21.5 | 167.7 | -71.7 | -63.3 | -167.2 | -178.7 | 0 | 113.5 | V271 P272 I273 F451 E452 | V271-K449 HydrophobicContact CG1-CD 4.49Å; P272-K449 VanDerWaalsContact O-CE 3.24Å; P272-K449 WeakPolarHBondContact O-CE 3.43Å; P272-K449 PolarHBondContact O-NZ 2.91Å; I273-K449 WeakPolarHBondContact O-CE 3.48Å; I273-K449 PolarHBondContact O-NZ 3.48Å; K449-F451 PolarHBondContact O-N 3.03Å; K449-E452 VanDerWaalsContact O-CB 3.27Å; K449-E452 WeakPolarHBondContact O-CB 3.25Å; K449-E452 PolarHBondContact O-N 3.41Å |
| 450 | T | 96.7 | Very high | 97.3 | Very high | 67 Ų | 67 | 53.1 Ų | 53.1 | 41% | 0.411 | 28% | 0.278 | S | S | . | . | G | 310 helix | trans | -64.7 | -10.8 | 179.1 | 58.2 | 0 | 0 | 0 | 0 | 114.6 | L350 S448 K454 | L350-T450 HydrophobicContact CD2-CG2 3.88Å; S448-T450 WeakPolarHBondContact CB-OG1 3.26Å; S448-T450 PolarHBondContact O-N 3.21Å; S448-T450 WeakPolarHBondContact OG-CG2 3.44Å; S448-T450 PolarHBondContact OG-N 3.26Å; S448-T450 PolarHBondContact OG-OG1 3.38Å; T450-K454 WeakPolarHBondContact O-CE 3.39Å; T450-K454 PolarHBondContact O-NZ 2.86Å |
| 451 | F | 97.3 | Very high | 97.3 | Very high | 22 Ų | 22 | 51.9 Ų | 51.9 | 10% | 0.096 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -92.4 | -4.7 | 174.6 | -50.9 | -56.4 | 0 | 0 | 0 | 113.7 | N269 V271 L350 V446 S448 K449 G453 K454 T455 | N269-F451 HydrophobicContact CB-CD1 3.93Å; N269-F451 HydrophobicContact CB-CD2 3.94Å; N269-F451 HydrophobicContact CB-CE1 4.08Å; N269-F451 HydrophobicContact CB-CE2 4.08Å; N269-F451 HydrophobicContact CB-CG 3.89Å; N269-F451 HydrophobicContact CB-CZ 4.17Å; N269-F451 WeakPolarHBondContact OD1-CE1 3.3Å; N269-F451 WeakPolarHBondContact OD1-CZ 3.26Å; V271-F451 HydrophobicContact CG2-CB 3.9Å; L350-F451 HydrophobicContact CD1-CZ 4.48Å; V446-F451 HydrophobicContact CB-CE2 4.26Å; V446-F451 HydrophobicContact CB-CZ 4.38Å; V446-F451 HydrophobicContact CG1-CE2 3.95Å; V446-F451 HydrophobicContact CG1-CZ 3.95Å; V446-F451 WeakPolarHBondContact O-CE2 3.22Å; S448-F451 VanDerWaalsContact O-CD2 3.31Å; S448-F451 WeakPolarHBondContact O-CD2 3.26Å; S448-F451 PolarHBondContact O-N 3.43Å; K449-F451 PolarHBondContact O-N 3.03Å; F451-G453 PolarHBondContact O-N 3.19Å; F451-K454 WeakPolarHBondContact O-CB 3.49Å; F451-K454 PolarHBondContact O-N 3.14Å; F451-T455 HydrophobicContact CB-CG2 4.26Å; F451-T455 PolarHBondContact O-N 3.38Å |
| 452 | E | 95.7 | Very high | 97.3 | Very high | 131 Ų | 131 | 50.9 Ų | 50.9 | 61% | 0.612 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | 128.4 | 178.3 | -169.4 | 162.6 | -160.5 | 0 | 0 | 110.7 | V271 K449 K454 | V271-E452 HydrophobicContact CG1-CB 4.26Å; K449-E452 VanDerWaalsContact O-CB 3.27Å; K449-E452 WeakPolarHBondContact O-CB 3.25Å; K449-E452 PolarHBondContact O-N 3.41Å; E452-K454 VanDerWaalsContact C-N 3.27Å; E452-K454 PolarHBondContact O-N 2.96Å |
| 453 | G | 96.2 | Very high | 97.2 | Very high | 82 Ų | 82 | 52 Ų | 52 | 85% | 0.845 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.1 | 2.3 | -173.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | F451 | F451-G453 PolarHBondContact O-N 3.19Š|
| 454 | K | 96.4 | Very high | 97.2 | Very high | 147 Ų | 147 | 52 Ų | 52 | 64% | 0.639 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.3 | -10.2 | 178.7 | -56.3 | 175.1 | -171.3 | 161.1 | 0 | 113.7 | T450 F451 E452 | T450-K454 WeakPolarHBondContact O-CE 3.39Å; T450-K454 PolarHBondContact O-NZ 2.86Å; F451-K454 WeakPolarHBondContact O-CB 3.49Å; F451-K454 PolarHBondContact O-N 3.14Å; E452-K454 VanDerWaalsContact C-N 3.27Å; E452-K454 PolarHBondContact O-N 2.96Å |
| 455 | T | 97.1 | Very high | 97.2 | Very high | 32 Ų | 32 | 54.5 Ų | 54.5 | 20% | 0.196 | 29% | 0.289 | C | S | . | . | trans | -73.9 | 147.7 | 179.8 | 45.3 | 0 | 0 | 0 | 0 | 112.6 | V271 F451 D465 Y466 | V271-T455 HydrophobicContact CG2-CG2 3.74Å; F451-T455 HydrophobicContact CB-CG2 4.26Å; F451-T455 PolarHBondContact O-N 3.38Å; T455-D465 HydrophobicContact CG2-CB 4.38Å; T455-Y466 WeakPolarHBondContact CB-O 3.31Å | ||
| 456 | T | 97.1 | Very high | 97.2 | Very high | 113 Ų | 113 | 56 Ų | 56 | 69% | 0.693 | 30% | 0.295 | S | S | * | . | trans | -105.4 | -12.7 | -175.1 | 54.8 | 0 | 0 | 0 | 0 | 113.9 | Y466 | T456-Y466 PolarHBondContact N-O 3.09Å; T456-Y466 VanDerWaalsContact N-O 3.12Å | ||
| 457 | S | 97.6 | Very high | 97.1 | Very high | 45 Ų | 45 | 56.3 Ų | 56.3 | 32% | 0.315 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 154.7 | -165.6 | -56 | 0 | 0 | 0 | 0 | 111.2 | Y466 | S457-Y466 WeakPolarHBondContact CA-O 3.37Å; S457-Y466 PolarHBondContact N-O 3.03Å; S457-Y466 PolarHBondContact O-N 2.74Å; S457-Y466 VanDerWaalsContact O-O 3.12Å |
| 458 | K | 97.8 | Very high | 97.1 | Very high | 121 Ų | 121 | 58.7 Ų | 58.7 | 53% | 0.526 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 126.3 | 178.3 | -179.2 | 143.5 | -71.6 | -177.6 | 0 | 109.9 | G463 V464 D465 | K458-G463 WeakPolarHBondContact CE-O 3.41Å; K458-V464 CarbonylContact C-O 3.58Å; K458-V464 VanDerWaalsContact CA-O 3.3Å; K458-V464 WeakPolarHBondContact CA-O 3.45Å; K458-D465 WeakPolarHBondContact CE-OD1 3.31Å; K458-D465 WeakPolarHBondContact CE-OD2 3.39Å; K458-D465 IonicContact NZ-OD1 2.67Å; K458-D465 PolarHBondContact NZ-OD1 3.4Å; K458-D465 IonicContact NZ-OD2 3.55Å; K458-D465 PolarHBondContact NZ-OD2 2.93Å |
| 459 | E | 97.8 | Very high | 97.1 | Very high | 4 Ų | 4 | 63 Ų | 63 | 2% | 0.019 | 33% | 0.332 | C | S | . | . | trans | -65.1 | 140.9 | 172.7 | -164.5 | -65.7 | 118.1 | 0 | 0 | 109.3 | L170 S173 W461 Y462 G463 V464 Y466 | L170-E459 HydrophobicContact CB-CG 4.28Å; L170-E459 HydrophobicContact CD1-CB 4.18Å; L170-E459 HydrophobicContact CD1-CG 4.08Å; S173-E459 PolarHBondContact OG-OE1 2.85Å; E459-W461 VanDerWaalsContact OE1-CD1 3.31Å; E459-W461 PolarHBondContact OE1-N 3.03Å; E459-W461 PolarHBondContact OE2-N 2.91Å; E459-Y462 PolarHBondContact OE2-N 3.14Å; E459-G463 WeakPolarHBondContact O-CA 3.37Å; E459-G463 PolarHBondContact O-N 2.84Å; E459-G463 VanDerWaalsContact O-N 3.15Å; E459-V464 HydrophobicContact CB-CB 3.64Å; E459-V464 HydrophobicContact CB-CG2 3.9Å; E459-V464 HydrophobicContact CG-CB 4.45Å; E459-V464 HydrophobicContact CG-CG2 4.28Å; E459-V464 PolarHBondContact N-O 3.48Å; E459-Y466 HydrophobicContact CB-CE1 4.29Å | ||
| 460 | R | 95.8 | Very high | 97.1 | Very high | 183 Ų | 183 | 65.9 Ų | 65.9 | 69% | 0.691 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -42 | -166.3 | 174.5 | 177.6 | 170.4 | 166.2 | -1.4 | 113.6 | ||
| 461 | W | 95.9 | Very high | 97.1 | Very high | 49 Ų | 49 | 63.3 Ų | 63.3 | 19% | 0.186 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | -46.1 | -164.5 | -56.7 | 110.3 | 0 | 0 | 0 | 112.3 | P70 Q169 F184 T191 E459 | P70-W461 HydrophobicContact CG-CH2 4.2Å; P70-W461 HydrophobicContact CG-CZ2 4.43Å; Q169-W461 HydrophobicContact CG-CB 4.35Å; F184-W461 HydrophobicContact CB-CD2 3.93Å; F184-W461 HydrophobicContact CB-CG 4.04Å; F184-W461 HydrophobicContact CB-CZ2 4.02Å; F184-W461 AromaticContact CD1-CD2 3.82Å; F184-W461 HydrophobicContact CD1-CD2 3.82Å; F184-W461 AromaticContact CD1-CE3 3.82Å; F184-W461 HydrophobicContact CD1-CE3 3.82Å; F184-W461 HydrophobicContact CD1-CG 4.3Å; F184-W461 HydrophobicContact CD1-CH2 4.36Å; F184-W461 HydrophobicContact CD1-CZ2 4.38Å; F184-W461 HydrophobicContact CD1-CZ3 4.11Å; F184-W461 HydrophobicContact CD2-CB 4.2Å; F184-W461 HydrophobicContact CD2-CD2 4.42Å; F184-W461 HydrophobicContact CD2-CG 4.06Å; F184-W461 HydrophobicContact CE1-CD2 4.45Å; F184-W461 HydrophobicContact CE1-CE3 4.16Å; F184-W461 HydrophobicContact CE2-CB 4.38Å; F184-W461 HydrophobicContact CG-CB 4.46Å; F184-W461 AromaticContact CG-CD2 3.81Å; F184-W461 HydrophobicContact CG-CD2 3.81Å; F184-W461 AromaticContact CG-CE2 3.97Å; F184-W461 HydrophobicContact CG-CE3 4.29Å; F184-W461 AromaticContact CG-CG 3.88Å; F184-W461 HydrophobicContact CG-CG 3.88Å; T191-W461 HydrophobicContact CG2-CE3 4.31Å; T191-W461 HydrophobicContact CG2-CH2 3.82Å; T191-W461 HydrophobicContact CG2-CZ3 3.41Å; T191-W461 VanDerWaalsContact CG2-CZ3 3.41Å; E459-W461 VanDerWaalsContact OE1-CD1 3.31Å; E459-W461 PolarHBondContact OE1-N 3.03Å; E459-W461 PolarHBondContact OE2-N 2.91Å |
| 462 | Y | 96.6 | Very high | 97.1 | Very high | 8 Ų | 8 | 64.9 Ų | 64.9 | 3% | 0.031 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.4 | 0.1 | 179.8 | -63.9 | -48.5 | 0 | 0 | 0 | 113.8 | N156 M160 W165 R166 Q169 F184 T186 E459 V464 | N156-Y462 WeakPolarHBondContact OD1-CE1 3.47Å; N156-Y462 PolarHBondContact OD1-OH 3.04Å; M160-Y462 HydrophobicContact CB-CD1 4.09Å; M160-Y462 HydrophobicContact CG-CD1 3.91Å; M160-Y462 HydrophobicContact CG-CE1 4.15Å; W165-Y462 HydrophobicContact CB-CE2 4.36Å; R166-Y462 PolarHBondContact NH1-O 3.44Å; Q169-Y462 HydrophobicContact CB-CD2 3.59Å; Q169-Y462 HydrophobicContact CB-CE2 3.73Å; Q169-Y462 HydrophobicContact CG-CD2 3.9Å; Q169-Y462 HydrophobicContact CG-CE2 4.04Å; F184-Y462 HydrophobicContact CE2-CE2 4.45Å; T186-Y462 PolarHBondContact OG1-OH 3.06Å; E459-Y462 PolarHBondContact OE2-N 3.14Å; Y462-V464 VanDerWaalsContact C-N 3.3Å; Y462-V464 PolarHBondContact O-N 3.31Å |
| 463 | G | 96.3 | Very high | 97.1 | Very high | 23 Ų | 23 | 63.6 Ų | 63.6 | 24% | 0.237 | 35% | 0.347 | C | S | . | . | trans | 63.9 | 37.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | K458 E459 D465 | K458-G463 WeakPolarHBondContact CE-O 3.41Å; E459-G463 WeakPolarHBondContact O-CA 3.37Å; E459-G463 PolarHBondContact O-N 2.84Å; E459-G463 VanDerWaalsContact O-N 3.15Å; G463-D465 PolarHBondContact O-N 3.2Å | ||
| 464 | V | 98 | Very high | 97.1 | Very high | 1 Ų | 1 | 63.3 Ų | 63.3 | 1% | 0.006 | 33% | 0.333 | C | S | . | . | trans | -71.7 | 119.3 | 179.7 | -166.5 | 0 | 0 | 0 | 0 | 109.3 | R166 L170 V270 K458 E459 Y462 Y466 | R166-V464 HydrophobicContact CB-CG2 3.72Å; R166-V464 HydrophobicContact CG-CG2 4.16Å; L170-V464 HydrophobicContact CD2-CG1 4.18Å; V270-V464 HydrophobicContact CG1-CG1 3.7Å; K458-V464 CarbonylContact C-O 3.58Å; K458-V464 VanDerWaalsContact CA-O 3.3Å; K458-V464 WeakPolarHBondContact CA-O 3.45Å; E459-V464 HydrophobicContact CB-CB 3.64Å; E459-V464 HydrophobicContact CB-CG2 3.9Å; E459-V464 HydrophobicContact CG-CB 4.45Å; E459-V464 HydrophobicContact CG-CG2 4.28Å; E459-V464 PolarHBondContact N-O 3.48Å; Y462-V464 VanDerWaalsContact C-N 3.3Å; Y462-V464 PolarHBondContact O-N 3.31Å; V464-Y466 WeakPolarHBondContact O-CD1 3.25Å | ||
| 465 | D | 98.4 | Very high | 97.2 | Very high | 53 Ų | 53 | 56.5 Ų | 56.5 | 28% | 0.283 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 121.5 | 173.7 | -74.5 | -72.5 | 0 | 0 | 0 | 109.5 | V271 T455 K458 G463 | V271-D465 HydrophobicContact CB-CB 4.08Å; V271-D465 HydrophobicContact CG2-CB 4.14Å; V271-D465 PolarHBondContact N-O 3.38Å; T455-D465 HydrophobicContact CG2-CB 4.38Å; K458-D465 WeakPolarHBondContact CE-OD1 3.31Å; K458-D465 WeakPolarHBondContact CE-OD2 3.39Å; K458-D465 IonicContact NZ-OD1 2.67Å; K458-D465 PolarHBondContact NZ-OD1 3.4Å; K458-D465 IonicContact NZ-OD2 3.55Å; K458-D465 PolarHBondContact NZ-OD2 2.93Å; G463-D465 PolarHBondContact O-N 3.2Å |
| 466 | Y | 98.6 | Very high | 97.2 | Very high | 33 Ų | 33 | 56 Ų | 56 | 13% | 0.129 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 165.1 | -179 | 76.1 | -81.2 | 0 | 0 | 0 | 113.8 | L170 L174 I268 N269 T455 T456 S457 E459 V464 V468 | L170-Y466 HydrophobicContact CD1-CD1 3.59Å; L170-Y466 HydrophobicContact CD1-CD2 4.1Å; L170-Y466 HydrophobicContact CD1-CE1 3.66Å; L170-Y466 HydrophobicContact CD1-CE2 4.18Å; L170-Y466 HydrophobicContact CD1-CG 3.81Å; L170-Y466 HydrophobicContact CD2-CG 4.27Å; L174-Y466 HydrophobicContact CD2-CE2 3.97Å; I268-Y466 HydrophobicContact CG2-CD2 4.15Å; N269-Y466 CarbonylContact O-C 3.58Å; N269-Y466 WeakPolarHBondContact O-CA 3.45Å; N269-Y466 WeakPolarHBondContact O-CB 3.48Å; T455-Y466 WeakPolarHBondContact CB-O 3.31Å; T456-Y466 PolarHBondContact N-O 3.09Å; T456-Y466 VanDerWaalsContact N-O 3.12Å; S457-Y466 WeakPolarHBondContact CA-O 3.37Å; S457-Y466 PolarHBondContact N-O 3.03Å; S457-Y466 PolarHBondContact O-N 2.74Å; S457-Y466 VanDerWaalsContact O-O 3.12Å; E459-Y466 HydrophobicContact CB-CE1 4.29Å; V464-Y466 WeakPolarHBondContact O-CD1 3.25Å; Y466-V468 HydrophobicContact CD2-CG2 3.96Å; Y466-V468 HydrophobicContact CE2-CG2 3.72Å |
| 467 | A | 98.3 | Very high | 97.2 | Very high | 5 Ų | 5 | 55.8 Ų | 55.8 | 4% | 0.041 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 147.6 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | I268 N269 | I268-A467 CarbonylContact C-O 3.38Å; I268-A467 WeakPolarHBondContact CA-O 3.34Å; N269-A467 PolarHBondContact N-O 3.01Å; N269-A467 PolarHBondContact O-N 3.44Å |
| 468 | V | 97.7 | Very high | 97.2 | Very high | 57 Ų | 57 | 58.5 Ų | 58.5 | 35% | 0.345 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 124.3 | 176.2 | 177.8 | 0 | 0 | 0 | 0 | 108.8 | L174 I263 R267 I268 Y466 | L174-V468 HydrophobicContact CD2-CG2 4.19Å; I263-V468 HydrophobicContact CD1-CB 4.41Å; I263-V468 HydrophobicContact CD1-CG1 3.42Å; I263-V468 VanDerWaalsContact CD1-CG1 3.42Å; I263-V468 HydrophobicContact CD1-CG2 4.08Å; R267-V468 WeakPolarHBondContact O-CA 3.5Å; I268-V468 HydrophobicContact CG1-CG2 4.43Å; Y466-V468 HydrophobicContact CD2-CG2 3.96Å; Y466-V468 HydrophobicContact CE2-CG2 3.72Å |
| 469 | E | 96.7 | Very high | 97.2 | Very high | 91 Ų | 91 | 52.7 Ų | 52.7 | 43% | 0.425 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 121.5 | -177.6 | -72.5 | 161.8 | -156.2 | 0 | 0 | 109.2 | S266 R267 N269 L471 | S266-E469 CarbonylContact C-O 3.6Å; S266-E469 WeakPolarHBondContact CA-O 3.39Å; S266-E469 WeakPolarHBondContact CB-O 3.5Å; R267-E469 HydrophobicContact CB-CB 4.47Å; R267-E469 PolarHBondContact N-O 3.31Å; R267-E469 PolarHBondContact O-N 3.05Å; N269-E469 PolarHBondContact ND2-OE1 3.38Å; N269-E469 PolarHBondContact ND2-OE2 2.74Å; E469-L471 PolarHBondContact O-N 2.86Å |
| 470 | K | 96.7 | Very high | 97.1 | Very high | 117 Ų | 117 | 57 Ų | 57 | 51% | 0.509 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 127.3 | 176 | -162.5 | 65.7 | 162.1 | -169.9 | 0 | 109.3 | S261 D262 L264 S266 | S261-K470 PolarHBondContact O-NZ 3.32Å; S261-K470 VanDerWaalsContact O-NZ 3.1Å; D262-K470 PolarHBondContact O-NZ 3.04Å; L264-K470 PolarHBondContact O-NZ 3.44Å; S266-K470 VanDerWaalsContact OG-CD 3.29Å; S266-K470 WeakPolarHBondContact OG-CD 3.42Å |
| 471 | L | 96.9 | Very high | 97 | Very high | 12 Ų | 12 | 51.6 Ų | 51.6 | 6% | 0.063 | 28% | 0.282 | C | S | . | . | P | Polyproline II helix | trans | -69.7 | 144.9 | 178.5 | -69.4 | 166.9 | 0 | 0 | 0 | 110.4 | G265 R267 M442 L444 E469 F475 L476 | G265-L471 WeakPolarHBondContact O-CB 3.38Å; G265-L471 PolarHBondContact O-N 3.43Å; G265-L471 VanDerWaalsContact O-N 3.13Å; R267-L471 HydrophobicContact CB-CD2 3.99Å; R267-L471 HydrophobicContact CB-CG 4.27Å; M442-L471 HydrophobicContact CE-CD1 3.51Å; M442-L471 HydrophobicContact SD-CD1 4.15Å; L444-L471 HydrophobicContact CD2-CD1 4.23Å; L444-L471 HydrophobicContact CD2-CD2 4.47Å; E469-L471 PolarHBondContact O-N 2.86Å; L471-F475 HydrophobicContact CB-CD1 4.3Å; L471-F475 HydrophobicContact CD1-CD1 4.44Å; L471-F475 HydrophobicContact CD1-CE1 4.3Å; L471-F475 HydrophobicContact CD2-CD1 4.09Å; L471-F475 HydrophobicContact CD2-CE1 4.21Å; L471-L476 HydrophobicContact CB-CD2 3.96Å; L471-L476 HydrophobicContact CB-CG 4.24Å; L471-L476 HydrophobicContact CD1-CD2 4.26Å |
| 472 | S | 97.1 | Very high | 97 | Very high | 56 Ų | 56 | 49.7 Ų | 49.7 | 39% | 0.392 | 28% | 0.276 | S | S | . | . | P | Polyproline II helix | trans | -66.2 | 140.8 | -175.9 | 76.1 | 0 | 0 | 0 | 0 | 111.7 | S474 F475 L476 | S472-S474 PolarHBondContact O-N 3.39Å; S472-S474 VanDerWaalsContact O-N 3.13Å; S472-S474 PolarHBondContact OG-OG 3.13Å; S472-F475 PolarHBondContact O-N 3.26Å; S472-F475 VanDerWaalsContact OG-CB 3.27Å; S472-F475 WeakPolarHBondContact OG-CB 3.5Å; S472-F475 PolarHBondContact OG-N 2.84Å; S472-L476 WeakPolarHBondContact O-CG 3.47Å; S472-L476 PolarHBondContact O-N 3.36Å |
| 473 | S | 95.9 | Very high | 96.8 | Very high | 103 Ų | 103 | 57.8 Ų | 57.8 | 72% | 0.72 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -57.8 | -29.5 | 177.7 | -44.8 | 0 | 0 | 0 | 0 | 112.6 | Q477 | S473-Q477 WeakPolarHBondContact O-CB 3.41Å; S473-Q477 PolarHBondContact O-N 2.68Å; S473-Q477 VanDerWaalsContact O-N 3.09Å |
| 474 | S | 97.1 | Very high | 96.4 | Very high | 77 Ų | 77 | 58.4 Ų | 58.4 | 54% | 0.538 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -67.4 | -43.1 | 173.6 | 49.6 | 0 | 0 | 0 | 0 | 112.4 | S472 Q477 Q478 | S472-S474 PolarHBondContact O-N 3.39Å; S472-S474 VanDerWaalsContact O-N 3.13Å; S472-S474 PolarHBondContact OG-OG 3.13Å; S474-Q477 PolarHBondContact O-N 3.25Å; S474-Q478 VanDerWaalsContact O-CG 3.3Å; S474-Q478 WeakPolarHBondContact O-CG 3.47Å; S474-Q478 PolarHBondContact O-N 2.91Å |
| 475 | F | 97.7 | Very high | 96 | Very high | 3 Ų | 3 | 60 Ų | 60 | 1% | 0.013 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -68.1 | -42.7 | 178.4 | 175.8 | -110.3 | 0 | 0 | 0 | 111.9 | E354 V357 M442 L471 S472 Q477 Q478 C479 | E354-F475 HydrophobicContact CB-CD2 4.14Å; E354-F475 HydrophobicContact CB-CE2 3.49Å; E354-F475 VanDerWaalsContact CB-CE2 3.49Å; E354-F475 HydrophobicContact CB-CZ 3.8Å; E354-F475 HydrophobicContact CG-CD2 4.25Å; E354-F475 HydrophobicContact CG-CE1 4.28Å; E354-F475 HydrophobicContact CG-CE2 3.87Å; E354-F475 HydrophobicContact CG-CZ 3.87Å; E354-F475 WeakPolarHBondContact O-CE2 3.27Å; V357-F475 HydrophobicContact CB-CZ 3.99Å; V357-F475 HydrophobicContact CG1-CE1 4.12Å; V357-F475 HydrophobicContact CG1-CZ 3.77Å; M442-F475 HydrophobicContact CE-CE1 4.43Å; L471-F475 HydrophobicContact CB-CD1 4.3Å; L471-F475 HydrophobicContact CD1-CD1 4.44Å; L471-F475 HydrophobicContact CD1-CE1 4.3Å; L471-F475 HydrophobicContact CD2-CD1 4.09Å; L471-F475 HydrophobicContact CD2-CE1 4.21Å; S472-F475 PolarHBondContact O-N 3.26Å; S472-F475 VanDerWaalsContact OG-CB 3.27Å; S472-F475 WeakPolarHBondContact OG-CB 3.5Å; S472-F475 PolarHBondContact OG-N 2.84Å; F475-Q477 VanDerWaalsContact C-N 3.3Å; F475-Q477 PolarHBondContact O-N 3.24Å; F475-Q478 WeakPolarHBondContact O-CB 3.37Å; F475-Q478 PolarHBondContact O-N 3.26Å; F475-C479 VanDerWaalsContact CE2-SG 3.54Å; F475-C479 WeakPolarHBondContact CZ-SG 3.47Å; F475-C479 PolarHBondContact O-N 3.39Å; F475-C479 PolarHBondContact O-SG 3.03Å; F475-C479 VanDerWaalsContact O-SG 3.4Å |
| 476 | L | 97.7 | Very high | 95.6 | Very high | 21 Ų | 21 | 65.3 Ų | 65.3 | 11% | 0.11 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -57.8 | -43.4 | 173.4 | -63.2 | 178.3 | 0 | 0 | 0 | 111.1 | P439 M442 L471 S472 C479 K480 | P439-L476 HydrophobicContact CB-CB 4.2Å; P439-L476 HydrophobicContact CB-CD2 3.72Å; M442-L476 HydrophobicContact CE-CD2 3.6Å; L471-L476 HydrophobicContact CB-CD2 3.96Å; L471-L476 HydrophobicContact CB-CG 4.24Å; L471-L476 HydrophobicContact CD1-CD2 4.26Å; S472-L476 WeakPolarHBondContact O-CG 3.47Å; S472-L476 PolarHBondContact O-N 3.36Å; L476-C479 PolarHBondContact O-N 3.27Å; L476-K480 WeakPolarHBondContact O-CB 3Å; L476-K480 PolarHBondContact O-N 2.73Å |
| 477 | Q | 97.4 | Very high | 95.4 | Very high | 109 Ų | 109 | 66.9 Ų | 66.9 | 51% | 0.509 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -69.1 | -35.9 | 177 | -175.3 | 60 | 26.7 | 0 | 0 | 113.1 | S473 S474 F475 K480 S481 | S473-Q477 WeakPolarHBondContact O-CB 3.41Å; S473-Q477 PolarHBondContact O-N 2.68Å; S473-Q477 VanDerWaalsContact O-N 3.09Å; S474-Q477 PolarHBondContact O-N 3.25Å; F475-Q477 VanDerWaalsContact C-N 3.3Å; F475-Q477 PolarHBondContact O-N 3.24Å; Q477-K480 PolarHBondContact O-N 2.8Å; Q477-S481 WeakPolarHBondContact O-CB 3.35Å; Q477-S481 PolarHBondContact O-N 2.69Å; Q477-S481 PolarHBondContact O-OG 3.49Å |
| 478 | Q | 96.7 | Very high | 95.2 | Very high | 102 Ų | 102 | 67.2 Ų | 67.2 | 48% | 0.477 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -61.2 | -50.2 | 172.4 | -77.3 | 167.5 | -13.4 | 0 | 0 | 110.9 | S474 F475 K480 S481 A482 | S474-Q478 VanDerWaalsContact O-CG 3.3Å; S474-Q478 WeakPolarHBondContact O-CG 3.47Å; S474-Q478 PolarHBondContact O-N 2.91Å; F475-Q478 WeakPolarHBondContact O-CB 3.37Å; F475-Q478 PolarHBondContact O-N 3.26Å; Q478-K480 VanDerWaalsContact C-N 3.34Å; Q478-K480 PolarHBondContact O-N 3.1Å; Q478-S481 CarbonylContact O-C 3.47Å; Q478-S481 PolarHBondContact O-N 2.99Å; Q478-S481 PolarHBondContact O-OG 2.97Å; Q478-A482 PolarHBondContact O-N 3.39Å |
| 479 | C | 97.4 | Very high | 95 | Very high | 0 Ų | 0 | 71.2 Ų | 71.2 | 0% | 0 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -57.5 | -45.7 | 175.3 | -71.7 | 0 | 0 | 0 | 0 | 111.9 | F361 P439 F475 L476 S481 A482 | F361-C479 HydrophobicContact CB-CB 4.24Å; F361-C479 WeakPolarHBondContact CB-O 3.32Å; F361-C479 HydrophobicContact CD2-CB 3.51Å; F361-C479 HydrophobicContact CE2-CB 4.04Å; F361-C479 HydrophobicContact CG-CB 3.92Å; P439-C479 HydrophobicContact CB-CB 4.06Å; P439-C479 HydrophobicContact CG-CB 3.52Å; F475-C479 VanDerWaalsContact CE2-SG 3.54Å; F475-C479 WeakPolarHBondContact CZ-SG 3.47Å; F475-C479 PolarHBondContact O-N 3.39Å; F475-C479 PolarHBondContact O-SG 3.03Å; F475-C479 VanDerWaalsContact O-SG 3.4Å; L476-C479 PolarHBondContact O-N 3.27Å; C479-S481 VanDerWaalsContact C-N 3.28Å; C479-S481 PolarHBondContact O-N 3.48Å; C479-A482 VanDerWaalsContact O-CB 3.27Å; C479-A482 WeakPolarHBondContact O-CB 2.99Å; C479-A482 PolarHBondContact O-N 3.44Å |
| 480 | K | 96.1 | Very high | 94.7 | Very high | 94 Ų | 94 | 67.8 Ų | 67.8 | 41% | 0.409 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -61.2 | -36.6 | -179.8 | -167.1 | 171.7 | -166.1 | 163 | 0 | 112.7 | N365 P439 E440 L476 Q477 Q478 | N365-K480 PolarHBondContact ND2-O 3.06Å; P439-K480 HydrophobicContact CG-CB 4.08Å; E440-K480 WeakPolarHBondContact OE1-CD 3.28Å; E440-K480 IonicContact OE1-NZ 2.78Å; E440-K480 PolarHBondContact OE1-NZ 2.63Å; E440-K480 IonicContact OE2-NZ 3.67Å; L476-K480 WeakPolarHBondContact O-CB 3Å; L476-K480 PolarHBondContact O-N 2.73Å; Q477-K480 PolarHBondContact O-N 2.8Å; Q478-K480 VanDerWaalsContact C-N 3.34Å; Q478-K480 PolarHBondContact O-N 3.1Å |
| 481 | S | 95 | Very high | 94.5 | Very high | 70 Ų | 70 | 63.2 Ų | 63.2 | 49% | 0.49 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -97.2 | 5.1 | -179.1 | 60.1 | 0 | 0 | 0 | 0 | 114.6 | Q477 Q478 C479 K483 | Q477-S481 WeakPolarHBondContact O-CB 3.35Å; Q477-S481 PolarHBondContact O-N 2.69Å; Q477-S481 PolarHBondContact O-OG 3.49Å; Q478-S481 CarbonylContact O-C 3.47Å; Q478-S481 PolarHBondContact O-N 2.99Å; Q478-S481 PolarHBondContact O-OG 2.97Å; C479-S481 VanDerWaalsContact C-N 3.28Å; C479-S481 PolarHBondContact O-N 3.48Å; S481-K483 PolarHBondContact O-N 2.95Å |
| 482 | A | 94.7 | Very high | 94.3 | Very high | 8 Ų | 8 | 67 Ų | 67 | 7% | 0.066 | 37% | 0.366 | C | S | . | . | P | Polyproline II helix | trans | -59.6 | 120.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q358 F361 E362 N365 Q478 C479 | Q358-A482 HydrophobicContact CG-CB 4.03Å; F361-A482 HydrophobicContact CB-CB 4.44Å; E362-A482 HydrophobicContact CG-CB 3.87Å; N365-A482 WeakPolarHBondContact CB-O 3.3Å; N365-A482 PolarHBondContact ND2-O 3.18Å; Q478-A482 PolarHBondContact O-N 3.39Å; C479-A482 VanDerWaalsContact O-CB 3.27Å; C479-A482 WeakPolarHBondContact O-CB 2.99Å; C479-A482 PolarHBondContact O-N 3.44Å |
| 483 | K | 93.1 | Very high | 94.1 | Very high | 178 Ų | 178 | 70.6 Ų | 70.6 | 77% | 0.774 | 38% | 0.377 | S | S | * | . | P | Polyproline II helix | trans | -91.2 | 135.8 | 179.4 | -66.8 | -174.2 | -180 | -178.8 | 0 | 109.8 | E362 S481 S485 | E362-K483 WeakPolarHBondContact CG-O 3.32Å; S481-K483 PolarHBondContact O-N 2.95Å; K483-S485 PolarHBondContact O-N 3.27Å |
| 484 | P | 87.9 | Confident | 94.1 | Very high | 37 Ų | 37 | 66.1 Ų | 66.1 | 24% | 0.24 | 35% | 0.345 | C | S | . | . | P | Polyproline II helix | trans | -53.5 | 122.5 | 176.8 | -24.8 | 33.3 | 0 | 0 | 0 | 112 | N365 L366 | N365-P484 HydrophobicContact CB-CG 4.46Å; L366-P484 HydrophobicContact CB-CB 4Å; L366-P484 HydrophobicContact CB-CG 3.79Å; L366-P484 HydrophobicContact CD1-CB 3.99Å; L366-P484 HydrophobicContact CD1-CG 4.18Å |
| 485 | S | 88.7 | Confident | 94 | Very high | 35 Ų | 35 | 70.7 Ų | 70.7 | 25% | 0.245 | 36% | 0.358 | C | S | . | . | P | Polyproline II helix | trans | -66.6 | 150 | 170.9 | 53.9 | 0 | 0 | 0 | 0 | 111.9 | E362 K483 F487 L488 | E362-S485 WeakPolarHBondContact OE2-CB 3.44Å; E362-S485 PolarHBondContact OE2-N 3.33Å; E362-S485 PolarHBondContact OE2-OG 3.49Å; K483-S485 PolarHBondContact O-N 3.27Å; S485-F487 PolarHBondContact O-N 3.32Å; S485-L488 PolarHBondContact O-N 3.2Å |
| 486 | N | 90.1 | Very high | 93.9 | Very high | 164 Ų | 164 | 71.5 Ų | 71.5 | 88% | 0.877 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -10.8 | -179.4 | -66.9 | -19.4 | 0 | 0 | 0 | 114.8 | ||
| 487 | F | 94.4 | Very high | 93.9 | Very high | 66 Ų | 66 | 71 Ų | 71 | 29% | 0.289 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -40.5 | 174.2 | -174.6 | -83.2 | 0 | 0 | 0 | 111.5 | E315 S485 K489 | E315-F487 HydrophobicContact CB-CD1 3.65Å; E315-F487 HydrophobicContact CB-CE1 3.64Å; E315-F487 HydrophobicContact CG-CD1 4.2Å; E315-F487 WeakPolarHBondContact OE2-CD1 3.44Å; E315-F487 WeakPolarHBondContact OE2-CG 3.23Å; S485-F487 PolarHBondContact O-N 3.32Å; F487-K489 PolarHBondContact O-N 3.21Å |
| 488 | L | 94.8 | Very high | 93.8 | Very high | 11 Ų | 11 | 66 Ų | 66 | 6% | 0.058 | 34% | 0.336 | C | S | . | . | trans | -71 | 126 | -176.5 | -63 | 178.6 | 0 | 0 | 0 | 110.3 | G310 L312 E315 E362 L366 S485 | G310-L488 WeakPolarHBondContact O-CA 3.25Å; L312-L488 HydrophobicContact CD2-CD1 3.94Å; L312-L488 HydrophobicContact CD2-CD2 3.86Å; L312-L488 HydrophobicContact CG-CD2 4.45Å; E315-L488 HydrophobicContact CB-CD2 4.24Å; E362-L488 HydrophobicContact CB-CD1 3.76Å; L366-L488 HydrophobicContact CD2-CB 4.08Å; S485-L488 PolarHBondContact O-N 3.2Å | ||
| 489 | K | 92.3 | Very high | 93.8 | Very high | 141 Ų | 141 | 65.2 Ų | 65.2 | 61% | 0.613 | 34% | 0.338 | S | S | * | . | trans | -133.9 | 146.7 | -178.1 | -65.8 | 174.4 | -171.6 | 176.6 | 0 | 109.7 | G310 F487 | G310-K489 PolarHBondContact O-N 2.89Å; F487-K489 PolarHBondContact O-N 3.21Å | ||
| 490 | I | 91.1 | Very high | 93.7 | Very high | 20 Ų | 20 | 71.4 Ų | 71.4 | 10% | 0.103 | 37% | 0.365 | C | S | . | . | P | Polyproline II helix | trans | -69.3 | 142.1 | 161.4 | -66 | -156.6 | 0 | 0 | 0 | 107.9 | L303 L366 R370 W375 I376 | L303-I490 HydrophobicContact CD1-CD1 4.01Å; L303-I490 HydrophobicContact CD2-CG2 4Å; L366-I490 HydrophobicContact CD2-CG1 4.26Å; L366-I490 HydrophobicContact CG-CG1 4.36Å; R370-I490 HydrophobicContact CB-CD1 4.41Å; R370-I490 HydrophobicContact CG-CD1 4.39Å; R370-I490 VanDerWaalsContact NH1-CG2 3.34Å; W375-I490 HydrophobicContact CZ2-CG2 4.35Å; I376-I490 HydrophobicContact CD1-CD1 4.47Å; I376-I490 HydrophobicContact CD1-CG2 3.64Å |
| 491 | P | 92.8 | Very high | 93.6 | Very high | 21 Ų | 21 | 69.2 Ų | 69.2 | 14% | 0.136 | 36% | 0.355 | C | S | . | . | P | Polyproline II helix | trans | -54.8 | 153.6 | 179.1 | -26.5 | 35.7 | 0 | 0 | 0 | 113.4 | L303 H306 W375 | L303-P491 VanDerWaalsContact CD2-CD 3.43Å; L303-P491 HydrophobicContact CD2-CG 4.16Å; H306-P491 HydrophobicContact CB-CG 4.39Å; H306-P491 VanDerWaalsContact CD2-CG 3.4Å; H306-P491 WeakPolarHBondContact CD2-CG 3.46Å; H306-P491 WeakPolarHBondContact NE2-CG 3.44Å; W375-P491 WeakPolarHBondContact CH2-O 3.16Å |
| 492 | S | 92.2 | Very high | 93.6 | Very high | 90 Ų | 90 | 70.7 Ų | 70.7 | 63% | 0.629 | 36% | 0.358 | S | S | * | . | P | Polyproline II helix | trans | -74.5 | 162 | 160.6 | 57.8 | 0 | 0 | 0 | 0 | 110.5 | ||
| 493 | Q | 93.5 | Very high | 93.6 | Very high | 132 Ų | 132 | 74.6 Ų | 74.6 | 62% | 0.617 | 38% | 0.377 | S | S | * | . | P | Polyproline II helix | trans | -51.8 | 144.7 | 171.2 | -72.7 | 179.3 | -15.3 | 0 | 0 | 112.2 | W375 E379 E495 | W375-Q493 HydrophobicContact CD2-CG 4.48Å; W375-Q493 HydrophobicContact CE3-CG 3.72Å; W375-Q493 HydrophobicContact CH2-CG 4.22Å; W375-Q493 HydrophobicContact CZ3-CB 4.35Å; W375-Q493 HydrophobicContact CZ3-CG 3.58Å; E379-Q493 WeakPolarHBondContact OE2-CA 3.28Å; Q493-E495 PolarHBondContact O-N 3.17Å |
| 494 | N | 95.4 | Very high | 93.6 | Very high | 10 Ų | 10 | 70 Ų | 70 | 5% | 0.053 | 36% | 0.355 | C | S | . | . | trans | -85 | 102.3 | -173.7 | -177.1 | -6.3 | 0 | 0 | 0 | 112.6 | E379 F496 I497 N575 | E379-N494 WeakPolarHBondContact OE1-CB 3.44Å; E379-N494 PolarHBondContact OE2-N 2.86Å; N494-F496 PolarHBondContact O-N 2.8Å; N494-F496 VanDerWaalsContact O-N 3.17Å; N494-F496 WeakPolarHBondContact OD1-CB 3.39Å; N494-F496 PolarHBondContact OD1-N 2.81Å; N494-I497 HydrophobicContact CB-CD1 3.88Å; N494-I497 HydrophobicContact CB-CG1 3.91Å; N494-I497 WeakPolarHBondContact O-CG1 3.48Å; N494-I497 PolarHBondContact O-N 2.77Å; N494-N575 PolarHBondContact ND2-O 3.18Å; N494-N575 WeakPolarHBondContact OD1-CB 3.47Å; N494-N575 PolarHBondContact OD1-O 2.92Å | ||
| 495 | E | 94.4 | Very high | 93.5 | Very high | 173 Ų | 173 | 72.2 Ų | 72.2 | 81% | 0.808 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -16.5 | 179.5 | -59.5 | -175.2 | 171.8 | 0 | 0 | 114.9 | Q493 | Q493-E495 PolarHBondContact O-N 3.17Š|
| 496 | F | 96.5 | Very high | 92.8 | Very high | 19 Ų | 19 | 79.8 Ų | 79.8 | 8% | 0.083 | 40% | 0.399 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -10.7 | 178.1 | -80 | -80 | 0 | 0 | 0 | 113.9 | N494 P498 Y572 N575 A576 A579 L581 K602 L606 | N494-F496 PolarHBondContact O-N 2.8Å; N494-F496 VanDerWaalsContact O-N 3.17Å; N494-F496 WeakPolarHBondContact OD1-CB 3.39Å; N494-F496 PolarHBondContact OD1-N 2.81Å; F496-P498 WeakPolarHBondContact O-CD 3.11Å; F496-P498 VanDerWaalsContact O-N 3.15Å; F496-Y572 HydrophobicContact CE2-CE1 4.11Å; F496-Y572 HydrophobicContact CE2-CE2 4.48Å; F496-Y572 AromaticContact CE2-CZ 3.98Å; F496-Y572 AromaticContact CZ-CE1 3.72Å; F496-Y572 HydrophobicContact CZ-CE1 3.72Å; F496-Y572 AromaticContact CZ-CZ 3.7Å; F496-Y572 WeakPolarHBondContact CZ-OH 3.3Å; F496-N575 HydrophobicContact CD2-CB 4.16Å; F496-A576 HydrophobicContact CB-CB 4.28Å; F496-A576 HydrophobicContact CD1-CB 3.74Å; F496-A576 HydrophobicContact CD2-CB 3.84Å; F496-A576 HydrophobicContact CE1-CB 3.95Å; F496-A576 HydrophobicContact CE2-CB 4.03Å; F496-A576 HydrophobicContact CG-CB 3.68Å; F496-A576 HydrophobicContact CZ-CB 4.09Å; F496-A579 VanDerWaalsContact C-CB 3.46Å; F496-A579 HydrophobicContact CB-CB 3.65Å; F496-A579 WeakPolarHBondContact O-CB 3.18Å; F496-L581 HydrophobicContact CD1-CD2 4.27Å; F496-K602 HydrophobicContact CD1-CB 3.92Å; F496-K602 HydrophobicContact CD1-CG 4.45Å; F496-K602 HydrophobicContact CE1-CB 4.44Å; F496-L606 HydrophobicContact CE1-CB 4.21Å |
| 497 | I | 96.8 | Very high | 92.1 | Very high | 12 Ų | 12 | 75.1 Ų | 75.1 | 6% | 0.062 | 37% | 0.374 | C | S | . | . | trans | -57.6 | 120.5 | -178.7 | -66.3 | 178.5 | 0 | 0 | 0 | 109.7 | E379 K382 L383 I386 N494 A579 | E379-I497 HydrophobicContact CG-CD1 3.34Å; K382-I497 HydrophobicContact CD-CG2 4.1Å; L383-I497 HydrophobicContact CD2-CD1 4.17Å; L383-I497 HydrophobicContact CD2-CG1 3.94Å; L383-I497 HydrophobicContact CG-CD1 4.25Å; I386-I497 HydrophobicContact CD1-CG2 4.01Å; N494-I497 HydrophobicContact CB-CD1 3.88Å; N494-I497 HydrophobicContact CB-CG1 3.91Å; N494-I497 WeakPolarHBondContact O-CG1 3.48Å; N494-I497 PolarHBondContact O-N 2.77Å; I497-A579 HydrophobicContact CG1-CB 4.31Å | ||
| 498 | P | 96.6 | Very high | 91.2 | Very high | 3 Ų | 3 | 80.2 Ų | 80.2 | 2% | 0.019 | 40% | 0.399 | C | S | . | . | trans | -66.4 | 145.1 | -178.6 | 28.3 | -35.7 | 0 | 0 | 0 | 111 | I386 F496 F501 F599 | I386-P498 HydrophobicContact CD1-CG 4.42Å; I386-P498 HydrophobicContact CG2-CG 4.23Å; F496-P498 WeakPolarHBondContact O-CD 3.11Å; F496-P498 VanDerWaalsContact O-N 3.15Å; P498-F501 HydrophobicContact CB-CE1 3.7Å; P498-F501 HydrophobicContact CB-CZ 3.95Å; P498-F501 HydrophobicContact CG-CE1 3.69Å; P498-F501 HydrophobicContact CG-CZ 3.88Å; P498-F501 WeakPolarHBondContact O-CZ 3.27Å; P498-F599 HydrophobicContact CB-CB 4.06Å; P498-F599 HydrophobicContact CB-CG 4.18Å; P498-F599 HydrophobicContact CG-CB 4.17Å; P498-F599 HydrophobicContact CG-CD1 4.35Å; P498-F599 HydrophobicContact CG-CD2 3.75Å; P498-F599 HydrophobicContact CG-CE2 4.19Å; P498-F599 HydrophobicContact CG-CG 3.83Å | ||
| 499 | T | 95.7 | Very high | 90.1 | Very high | 86 Ų | 86 | 85.8 Ų | 85.8 | 53% | 0.528 | 42% | 0.423 | S | S | . | . | trans | -123.1 | -23.1 | 180 | 62.1 | 0 | 0 | 0 | 0 | 112.2 | E601 | T499-E601 PolarHBondContact N-OE2 3.04Å; T499-E601 PolarHBondContact OG1-OE1 3.3Å; T499-E601 PolarHBondContact OG1-OE2 2.84Å; T499-E601 VanDerWaalsContact OG1-OE2 3.1Å | ||
| 500 | K | 94.9 | Very high | 89.6 | Confident | 129 Ų | 129 | 82.5 Ų | 82.5 | 56% | 0.561 | 41% | 0.407 | S | S | * | . | trans | -112.7 | 129.5 | 179 | -61.3 | -178.6 | -177.8 | 179.8 | 0 | 110.2 | E601 | K500-E601 HydrophobicContact CB-CG 4.19Å; K500-E601 PolarHBondContact N-OE2 3.35Å | ||
| 501 | F | 95.8 | Very high | 88.9 | Confident | 48 Ų | 48 | 84.7 Ų | 84.7 | 21% | 0.211 | 42% | 0.421 | C | S | . | . | trans | -126.9 | 20.9 | -175.8 | -57.4 | -72 | 0 | 0 | 0 | 111.9 | I386 F390 P498 L503 P535 F599 | I386-F501 HydrophobicContact CD1-CZ 4.05Å; I386-F501 HydrophobicContact CG1-CZ 4.02Å; I386-F501 HydrophobicContact CG2-CE1 4.2Å; I386-F501 HydrophobicContact CG2-CZ 4.27Å; F390-F501 AromaticContact CD2-CD1 3.91Å; F390-F501 HydrophobicContact CD2-CD1 3.91Å; F390-F501 AromaticContact CD2-CE1 3.97Å; F390-F501 HydrophobicContact CD2-CE1 3.97Å; F390-F501 HydrophobicContact CE1-CB 4.34Å; F390-F501 HydrophobicContact CE2-CB 4.1Å; F390-F501 AromaticContact CE2-CD1 3.25Å; F390-F501 HydrophobicContact CE2-CD1 3.25Å; F390-F501 AromaticContact CE2-CD2 3.98Å; F390-F501 HydrophobicContact CE2-CD2 3.98Å; F390-F501 AromaticContact CE2-CE1 3.52Å; F390-F501 HydrophobicContact CE2-CE1 3.52Å; F390-F501 HydrophobicContact CE2-CE2 4.21Å; F390-F501 AromaticContact CE2-CG 3.5Å; F390-F501 HydrophobicContact CE2-CG 3.5Å; F390-F501 VanDerWaalsContact CE2-CG 3.5Å; F390-F501 HydrophobicContact CE2-CZ 4Å; F390-F501 HydrophobicContact CZ-CB 3.59Å; F390-F501 AromaticContact CZ-CD1 3.67Å; F390-F501 HydrophobicContact CZ-CD1 3.67Å; F390-F501 HydrophobicContact CZ-CD2 4.13Å; F390-F501 HydrophobicContact CZ-CE1 4.37Å; F390-F501 AromaticContact CZ-CG 3.52Å; F390-F501 HydrophobicContact CZ-CG 3.52Å; P498-F501 HydrophobicContact CB-CE1 3.7Å; P498-F501 HydrophobicContact CB-CZ 3.95Å; P498-F501 HydrophobicContact CG-CE1 3.69Å; P498-F501 HydrophobicContact CG-CZ 3.88Å; P498-F501 WeakPolarHBondContact O-CZ 3.27Å; F501-L503 PolarHBondContact O-N 2.96Å; F501-P535 HydrophobicContact CB-CB 4.08Å; F501-P535 HydrophobicContact CB-CG 4.03Å; F501-P535 HydrophobicContact CD1-CB 4.24Å; F501-P535 HydrophobicContact CD1-CG 3.81Å; F501-P535 HydrophobicContact CG-CG 4.4Å; F501-F599 HydrophobicContact CD1-CD1 4.2Å; F501-F599 HydrophobicContact CD1-CE1 4.25Å; F501-F599 HydrophobicContact CE1-CD1 4.03Å; F501-F599 AromaticContact CE1-CE1 3.98Å; F501-F599 HydrophobicContact CE1-CE1 3.98Å | ||
| 502 | D | 94.7 | Very high | 88.5 | Confident | 102 Ų | 102 | 86 Ų | 86 | 55% | 0.545 | 43% | 0.425 | S | S | . | . | P | Polyproline II helix | trans | -70.1 | 126.9 | -175 | -46.3 | -71.1 | 0 | 0 | 0 | 111.3 | N697 | D502-N697 PolarHBondContact O-ND2 2.87Š|
| 503 | L | 94.3 | Very high | 88.6 | Confident | 89 Ų | 89 | 81.8 Ų | 81.8 | 47% | 0.466 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -74.4 | 132.1 | 170.7 | -58.5 | -178.5 | 0 | 0 | 0 | 109.7 | F501 L533 N697 | F501-L503 PolarHBondContact O-N 2.96Å; L503-L533 HydrophobicContact CD1-CB 4.06Å; L503-L533 WeakPolarHBondContact CD1-O 2.96Å; L503-L533 WeakPolarHBondContact CD2-O 3.15Å; L503-N697 WeakPolarHBondContact CA-OD1 3.39Å |
| 504 | R | 93.1 | Very high | 88.5 | Confident | 83 Ų | 83 | 77.5 Ų | 77.5 | 31% | 0.313 | 38% | 0.378 | S | S | . | . | P | Polyproline II helix | trans | -66.2 | 140.8 | 175.1 | -62.5 | -60 | -174.7 | -113.4 | 8.6 | 109.6 | N697 T699 E702 | R504-N697 WeakPolarHBondContact CG-OD1 3.3Å; R504-N697 PolarHBondContact N-OD1 2.9Å; R504-T699 HydrophobicContact CB-CG2 4.29Å; R504-T699 HydrophobicContact CG-CG2 4.38Å; R504-E702 IonicContact CZ-OE1 3.99Å; R504-E702 VanDerWaalsContact CZ-OE1 3.25Å; R504-E702 IonicContact NE-OE1 3.38Å; R504-E702 PolarHBondContact NE-OE1 2.98Å; R504-E702 IonicContact NE-OE2 2.75Å; R504-E702 PolarHBondContact NE-OE2 3.05Å; R504-E702 VanDerWaalsContact NE-OE2 3.08Å; R504-E702 IonicContact NH2-OE1 2.92Å; R504-E702 PolarHBondContact NH2-OE1 3.01Å |
| 505 | A | 86.3 | Confident | 88.5 | Confident | 82 Ų | 82 | 79.7 Ų | 79.7 | 68% | 0.678 | 39% | 0.389 | S | S | * | . | P | Polyproline II helix | trans | -53.5 | 144 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | D507 K528 | A505-D507 PolarHBondContact O-N 3.02Å; A505-K528 WeakPolarHBondContact O-CE 3.3Å; A505-K528 PolarHBondContact O-NZ 3.49Å |
| 506 | R | 74.1 | Confident | 88.5 | Confident | 194 Ų | 194 | 73.1 Ų | 73.1 | 73% | 0.732 | 36% | 0.361 | S | S | * | . | P | Polyproline II helix | trans | -68.3 | 129 | -178.6 | -70.1 | -179.6 | 175.4 | 172.7 | -2.8 | 110.4 | ||
| 507 | D | 73.8 | Confident | 88.4 | Confident | 67 Ų | 67 | 73 Ų | 73 | 36% | 0.358 | 36% | 0.361 | S | S | . | . | trans | -86 | -174.1 | 170.6 | -50.1 | -24.5 | 0 | 0 | 0 | 109.4 | A505 K509 Y526 K528 | A505-D507 PolarHBondContact O-N 3.02Å; D507-K509 PolarHBondContact O-N 2.95Å; D507-Y526 PolarHBondContact OD2-OH 2.68Å; D507-Y526 VanDerWaalsContact OD2-OH 3.1Å; D507-K528 HydrophobicContact CB-CD 4.42Å; D507-K528 IonicContact OD1-NZ 3.58Å; D507-K528 PolarHBondContact OD1-NZ 3.28Å; D507-K528 WeakPolarHBondContact OD2-CD 3.37Å; D507-K528 IonicContact OD2-NZ 3.24Å; D507-K528 PolarHBondContact OD2-NZ 2.82Å | ||
| 508 | E | 75.3 | Confident | 88.3 | Confident | 173 Ų | 173 | 75.4 Ų | 75.4 | 81% | 0.808 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -54 | 135.6 | 166.2 | -68.8 | -169.5 | 150.4 | 0 | 0 | 111.1 | R510 | E508-R510 PolarHBondContact O-N 2.98Š|
| 509 | K | 73.1 | Confident | 88 | Confident | 128 Ų | 128 | 77.8 Ų | 77.8 | 56% | 0.557 | 39% | 0.391 | S | S | * | . | trans | -71 | 106.5 | -172.2 | -172.1 | -179.3 | -175.8 | 179 | 0 | 111.2 | D507 D530 | D507-K509 PolarHBondContact O-N 2.95Å; K509-D530 WeakPolarHBondContact CE-OD2 3.45Å; K509-D530 IonicContact NZ-OD2 2.74Å | ||
| 510 | R | 81.1 | Confident | 87.6 | Confident | 72 Ų | 72 | 75.9 Ų | 75.9 | 27% | 0.272 | 38% | 0.378 | S | S | . | . | trans | -90.9 | 116.6 | 172.5 | -56.6 | -169.3 | -176.2 | 171.3 | 12.2 | 110.5 | E508 E512 T514 V516 K527 E700 | E508-R510 PolarHBondContact O-N 2.98Å; R510-E512 VanDerWaalsContact C-N 3.32Å; R510-T514 VanDerWaalsContact CD-OG1 3.27Å; R510-T514 WeakPolarHBondContact CD-OG1 3.49Å; R510-T514 HydrophobicContact CG-CG2 4.5Å; R510-T514 PolarHBondContact NH1-OG1 3.46Å; R510-V516 VanDerWaalsContact NH1-CG1 3.3Å; R510-K527 WeakPolarHBondContact O-CE 3.38Å; R510-E700 IonicContact CZ-OE2 2.94Å; R510-E700 IonicContact NH1-OE2 3.78Å; R510-E700 PolarHBondContact NH1-OE2 2.87Å; R510-E700 IonicContact NH2-OE2 2.71Å; R510-E700 PolarHBondContact NH2-OE2 2.85Å | ||
| 511 | T | 77 | Confident | 87.4 | Confident | 65 Ų | 65 | 69.8 Ų | 69.8 | 40% | 0.399 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -69 | -32.5 | 178.8 | 50.3 | 0 | 0 | 0 | 0 | 112.4 | T888 | T511-T888 HydrophobicContact CG2-CG2 3.64Š|
| 512 | E | 84.8 | Confident | 87.3 | Confident | 50 Ų | 50 | 67.5 Ų | 67.5 | 23% | 0.234 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -132 | 165.4 | -176.2 | 63.7 | -178.8 | -166.2 | 0 | 0 | 111.7 | R510 T514 F879 N880 | R510-E512 VanDerWaalsContact C-N 3.32Å; E512-T514 PolarHBondContact O-N 2.85Å; E512-F879 HydrophobicContact CB-CB 4Å; E512-N880 PolarHBondContact OE2-ND2 3.29Å; E512-N880 PolarHBondContact OE2-OD1 3.19Å |
| 513 | P | 92.5 | Very high | 87.3 | Confident | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.006 | 32% | 0.317 | C | S | . | . | trans | -60.3 | 130.2 | 169 | -19.9 | 32.6 | 0 | 0 | 0 | 111.5 | W525 L693 Y868 F879 | P513-W525 HydrophobicContact CB-CB 4.23Å; P513-W525 HydrophobicContact CB-CE3 4.48Å; P513-L693 HydrophobicContact CB-CD1 4.07Å; P513-L693 HydrophobicContact CG-CD1 4.33Å; P513-Y868 HydrophobicContact CG-CD1 3.66Å; P513-Y868 HydrophobicContact CG-CD2 3.74Å; P513-Y868 HydrophobicContact CG-CE1 4.05Å; P513-Y868 HydrophobicContact CG-CE2 4.12Å; P513-Y868 HydrophobicContact CG-CG 3.48Å; P513-Y868 VanDerWaalsContact CG-CG 3.48Å; P513-F879 HydrophobicContact CB-CE1 4.37Å; P513-F879 HydrophobicContact CB-CZ 4.33Å; P513-F879 HydrophobicContact CG-CD1 4.04Å; P513-F879 HydrophobicContact CG-CE1 4.11Å; P513-F879 HydrophobicContact CG-CG 4.39Å | ||
| 514 | T | 92.8 | Very high | 87.4 | Confident | 41 Ų | 41 | 58.8 Ų | 58.8 | 25% | 0.252 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 142.8 | -179 | 50.2 | 0 | 0 | 0 | 0 | 110.5 | R510 E512 V516 W525 Y526 | R510-T514 VanDerWaalsContact CD-OG1 3.27Å; R510-T514 WeakPolarHBondContact CD-OG1 3.49Å; R510-T514 HydrophobicContact CG-CG2 4.5Å; R510-T514 PolarHBondContact NH1-OG1 3.46Å; E512-T514 PolarHBondContact O-N 2.85Å; T514-V516 PolarHBondContact O-N 2.69Å; T514-W525 CarbonylContact O-C 3.55Å; T514-W525 VanDerWaalsContact O-CA 3.32Å; T514-W525 WeakPolarHBondContact O-CA 3.33Å; T514-Y526 PolarHBondContact N-O 2.83Å; T514-Y526 PolarHBondContact O-N 2.66Å; T514-Y526 PolarHBondContact OG1-O 2.73Å; T514-Y526 VanDerWaalsContact OG1-O 3.14Å |
| 515 | M | 94.4 | Very high | 87.6 | Confident | 56 Ų | 56 | 55.2 Ų | 55.2 | 28% | 0.276 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 107.4 | 176.8 | -171.3 | 174.2 | -62.3 | 0 | 0 | 109.9 | V517 C518 R523 L524 W525 V974 | M515-V517 WeakPolarHBondContact CG-O 3.29Å; M515-C518 HydrophobicContact CG-CB 4.22Å; M515-C518 HydrophobicContact SD-CB 3.54Å; M515-C518 VanDerWaalsContact SD-CB 3.54Å; M515-R523 HydrophobicContact CE-CB 4.46Å; M515-R523 HydrophobicContact CE-CG 4.2Å; M515-R523 HydrophobicContact SD-CG 4.19Å; M515-L524 CarbonylContact C-O 3.58Å; M515-L524 WeakPolarHBondContact CA-O 3.15Å; M515-W525 HydrophobicContact CB-CD2 4.46Å; M515-W525 HydrophobicContact CB-CE3 4.04Å; M515-W525 HydrophobicContact CB-CH2 4.32Å; M515-W525 HydrophobicContact CB-CZ3 3.95Å; M515-W525 HydrophobicContact CE-CD2 4.28Å; M515-W525 HydrophobicContact CE-CH2 3.5Å; M515-W525 HydrophobicContact CE-CZ2 3.12Å; M515-W525 HydrophobicContact CE-CZ3 4.21Å; M515-V974 HydrophobicContact CE-CG1 3.93Å |
| 516 | V | 95 | Very high | 88.1 | Confident | 35 Ų | 35 | 51.3 Ų | 51.3 | 21% | 0.212 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | -15.7 | -176.9 | -62.1 | 0 | 0 | 0 | 0 | 113.1 | R510 T514 L524 Y526 E700 V704 | R510-V516 VanDerWaalsContact NH1-CG1 3.3Å; T514-V516 PolarHBondContact O-N 2.69Å; V516-L524 HydrophobicContact CG2-CB 4.08Å; V516-L524 HydrophobicContact CG2-CD2 3.72Å; V516-L524 HydrophobicContact CG2-CG 3.61Å; V516-L524 PolarHBondContact N-O 2.89Å; V516-Y526 HydrophobicContact CG1-CD1 4.22Å; V516-E700 HydrophobicContact CB-CG 4.16Å; V516-E700 VanDerWaalsContact CG1-CD 3.44Å; V516-E700 HydrophobicContact CG1-CG 4.02Å; V516-E700 VanDerWaalsContact CG1-OE2 3.27Å; V516-E700 WeakPolarHBondContact CG1-OE2 3.45Å; V516-E700 HydrophobicContact CG2-CG 4.37Å; V516-V704 HydrophobicContact CG2-CG2 4.17Å |
| 517 | V | 94.9 | Very high | 89.1 | Confident | 17 Ų | 17 | 42.3 Ų | 42.3 | 10% | 0.103 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 131.6 | 167 | -175.9 | 0 | 0 | 0 | 0 | 108.5 | M515 I522 R523 L524 V704 | M515-V517 WeakPolarHBondContact CG-O 3.29Å; V517-I522 HydrophobicContact CB-CG2 4.13Å; V517-I522 HydrophobicContact CG1-CB 4.12Å; V517-I522 HydrophobicContact CG1-CG2 3.8Å; V517-R523 WeakPolarHBondContact O-CA 3.09Å; V517-L524 HydrophobicContact CB-CB 3.83Å; V517-L524 HydrophobicContact CG2-CB 4.04Å; V517-L524 HydrophobicContact CG2-CD2 4.21Å; V517-L524 PolarHBondContact O-N 3.06Å; V517-V704 HydrophobicContact CG2-CG1 4.29Å; V517-V704 HydrophobicContact CG2-CG2 3.96Å |
| 518 | C | 93.2 | Very high | 90 | Very high | 63 Ų | 63 | 40.3 Ų | 40.3 | 43% | 0.426 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 99.8 | 167.9 | -161.7 | 0 | 0 | 0 | 0 | 108.3 | M515 I522 | M515-C518 HydrophobicContact CG-CB 4.22Å; M515-C518 HydrophobicContact SD-CB 3.54Å; M515-C518 VanDerWaalsContact SD-CB 3.54Å; C518-I522 WeakPolarHBondContact CA-O 3.44Å |
| 519 | D | 91.2 | Very high | 90.8 | Very high | 53 Ų | 53 | 32.8 Ų | 32.8 | 28% | 0.283 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -124.4 | -171.4 | 169.6 | 68.7 | 27.9 | 0 | 0 | 0 | 110.7 | Y521 I522 R711 | D519-Y521 PolarHBondContact O-N 2.89Å; D519-Y521 WeakPolarHBondContact OD1-CA 3.5Å; D519-Y521 PolarHBondContact OD1-N 2.92Å; D519-I522 PolarHBondContact N-O 2.87Å; D519-I522 PolarHBondContact OD1-N 2.92Å; D519-R711 IonicContact OD1-NH1 3.72Å; D519-R711 IonicContact OD2-CZ 3.99Å; D519-R711 IonicContact OD2-NH1 2.74Å; D519-R711 PolarHBondContact OD2-NH1 2.91Å |
| 520 | D | 86.9 | Confident | 91.5 | Very high | 45 Ų | 45 | 29 Ų | 29 | 24% | 0.241 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -61.6 | -26.1 | 179.3 | 61.7 | -15.3 | 0 | 0 | 0 | 112.8 | P722 I979 | D520-P722 HydrophobicContact CB-CB 4.05Å; D520-P722 HydrophobicContact CB-CG 4.13Å; D520-P722 WeakPolarHBondContact OD2-CG 3.38Å; D520-I979 WeakPolarHBondContact CB-O 3.41Å |
| 521 | Y | 90.1 | Very high | 91.8 | Very high | 1 Ų | 1 | 28.8 Ų | 28.8 | 0% | 0.004 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -112 | -32.1 | -169.1 | -155.7 | -91 | 0 | 0 | 0 | 113.8 | D519 H689 I690 R711 F715 S720 P722 | D519-Y521 PolarHBondContact O-N 2.89Å; D519-Y521 WeakPolarHBondContact OD1-CA 3.5Å; D519-Y521 PolarHBondContact OD1-N 2.92Å; Y521-H689 PolarHBondContact O-ND1 2.96Å; Y521-I690 HydrophobicContact CD1-CD1 4.1Å; Y521-I690 HydrophobicContact CD1-CG1 4.13Å; Y521-I690 HydrophobicContact CE1-CD1 3.74Å; Y521-I690 HydrophobicContact CE1-CG1 3.92Å; Y521-I690 PolarHBondContact O-N 3.24Å; Y521-R711 HydrophobicContact CD1-CG 4.11Å; Y521-R711 HydrophobicContact CE1-CG 4.23Å; Y521-F715 HydrophobicContact CD1-CE2 4.21Å; Y521-F715 HydrophobicContact CD2-CE2 4.26Å; Y521-F715 HydrophobicContact CD2-CZ 4.06Å; Y521-F715 AromaticContact CE1-CE2 3.96Å; Y521-F715 HydrophobicContact CE1-CE2 3.96Å; Y521-F715 HydrophobicContact CE2-CE2 4.04Å; Y521-F715 AromaticContact CE2-CZ 3.79Å; Y521-F715 HydrophobicContact CE2-CZ 3.79Å; Y521-F715 HydrophobicContact CG-CE2 4.35Å; Y521-F715 AromaticContact CZ-CE2 3.88Å; Y521-S720 WeakPolarHBondContact OH-CB 3.46Å; Y521-S720 PolarHBondContact OH-OG 3.39Å; Y521-P722 HydrophobicContact CD2-CB 4.19Å; Y521-P722 HydrophobicContact CD2-CG 4.05Å |
| 522 | I | 93.8 | Very high | 92.4 | Very high | 1 Ų | 1 | 27.5 Ų | 27.5 | 1% | 0.005 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 136.9 | -172.5 | -62.7 | 177.5 | 0 | 0 | 0 | 111.7 | V517 C518 D519 L524 I690 V707 R711 | V517-I522 HydrophobicContact CB-CG2 4.13Å; V517-I522 HydrophobicContact CG1-CB 4.12Å; V517-I522 HydrophobicContact CG1-CG2 3.8Å; C518-I522 WeakPolarHBondContact CA-O 3.44Å; D519-I522 PolarHBondContact N-O 2.87Å; D519-I522 PolarHBondContact OD1-N 2.92Å; I522-L524 HydrophobicContact CG2-CB 4.37Å; I522-I690 CarbonylContact C-O 3.57Å; I522-I690 VanDerWaalsContact CA-O 3.31Å; I522-I690 WeakPolarHBondContact CA-O 3.3Å; I522-I690 HydrophobicContact CG1-CB 4.38Å; I522-V707 HydrophobicContact CD1-CG1 4.48Å; I522-V707 HydrophobicContact CG2-CG1 4Å; I522-R711 HydrophobicContact CD1-CB 3.88Å; I522-R711 VanDerWaalsContact CD1-CD 3.5Å; I522-R711 HydrophobicContact CD1-CG 4.28Å |
| 523 | R | 95.2 | Very high | 92.8 | Very high | 7 Ų | 7 | 28.2 Ų | 28.2 | 3% | 0.026 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 130.5 | 149 | -72.2 | 174.2 | -167.4 | 168.2 | 6.8 | 111 | M515 V517 I690 E691 A692 P975 P976 I977 | M515-R523 HydrophobicContact CE-CB 4.46Å; M515-R523 HydrophobicContact CE-CG 4.2Å; M515-R523 HydrophobicContact SD-CG 4.19Å; V517-R523 WeakPolarHBondContact O-CA 3.09Å; R523-I690 PolarHBondContact N-O 2.91Å; R523-E691 HydrophobicContact CB-CB 4.42Å; R523-E691 HydrophobicContact CB-CG 4.13Å; R523-E691 WeakPolarHBondContact CD-OE1 3.36Å; R523-E691 IonicContact NH1-OE1 3.5Å; R523-E691 CarbonylContact O-C 3.53Å; R523-E691 WeakPolarHBondContact O-CA 3.35Å; R523-A692 PolarHBondContact O-N 2.8Å; R523-P975 PolarHBondContact NH2-O 2.94Å; R523-P976 PolarHBondContact NH2-O 3.2Å; R523-I977 VanDerWaalsContact NH2-N 3.18Å |
| 524 | L | 97.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 115.9 | 173.2 | 178 | 54.3 | 0 | 0 | 0 | 110.4 | M515 V516 V517 I522 A692 V694 A703 V704 V707 | M515-L524 CarbonylContact C-O 3.58Å; M515-L524 WeakPolarHBondContact CA-O 3.15Å; V516-L524 HydrophobicContact CG2-CB 4.08Å; V516-L524 HydrophobicContact CG2-CD2 3.72Å; V516-L524 HydrophobicContact CG2-CG 3.61Å; V516-L524 PolarHBondContact N-O 2.89Å; V517-L524 HydrophobicContact CB-CB 3.83Å; V517-L524 HydrophobicContact CG2-CB 4.04Å; V517-L524 HydrophobicContact CG2-CD2 4.21Å; V517-L524 PolarHBondContact O-N 3.06Å; I522-L524 HydrophobicContact CG2-CB 4.37Å; L524-A692 HydrophobicContact CD1-CB 4.19Å; L524-V694 HydrophobicContact CD1-CB 4.37Å; L524-V694 HydrophobicContact CD1-CG2 3.83Å; L524-A703 HydrophobicContact CD2-CB 4.42Å; L524-A703 WeakPolarHBondContact CD2-O 3.43Å; L524-V704 HydrophobicContact CD2-CB 4.41Å; L524-V704 HydrophobicContact CD2-CG2 3.98Å; L524-V707 HydrophobicContact CD1-CB 4.41Å; L524-V707 HydrophobicContact CD1-CG2 3.76Å; L524-V707 HydrophobicContact CD2-CB 4.31Å; L524-V707 HydrophobicContact CD2-CG2 4.35Å |
| 525 | W | 97.2 | Very high | 93 | Very high | 8 Ų | 8 | 27.2 Ų | 27.2 | 3% | 0.03 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 128.7 | 164.4 | -59 | 95.2 | 0 | 0 | 0 | 109.4 | P513 T514 M515 A692 L693 V694 I872 Y877 F879 I972 V974 | P513-W525 HydrophobicContact CB-CB 4.23Å; P513-W525 HydrophobicContact CB-CE3 4.48Å; T514-W525 CarbonylContact O-C 3.55Å; T514-W525 VanDerWaalsContact O-CA 3.32Å; T514-W525 WeakPolarHBondContact O-CA 3.33Å; M515-W525 HydrophobicContact CB-CD2 4.46Å; M515-W525 HydrophobicContact CB-CE3 4.04Å; M515-W525 HydrophobicContact CB-CH2 4.32Å; M515-W525 HydrophobicContact CB-CZ3 3.95Å; M515-W525 HydrophobicContact CE-CD2 4.28Å; M515-W525 HydrophobicContact CE-CH2 3.5Å; M515-W525 HydrophobicContact CE-CZ2 3.12Å; M515-W525 HydrophobicContact CE-CZ3 4.21Å; W525-A692 PolarHBondContact N-O 2.83Å; W525-L693 HydrophobicContact CB-CD1 3.9Å; W525-L693 CarbonylContact O-C 3.48Å; W525-L693 VanDerWaalsContact O-CA 3.31Å; W525-L693 WeakPolarHBondContact O-CA 3.43Å; W525-V694 PolarHBondContact O-N 3.37Å; W525-I872 HydrophobicContact CB-CD1 4.01Å; W525-I872 HydrophobicContact CD2-CD1 4.42Å; W525-I872 HydrophobicContact CG-CD1 3.74Å; W525-I872 HydrophobicContact CG-CG1 4.27Å; W525-Y877 HydrophobicContact CH2-CD1 4.04Å; W525-Y877 AromaticContact CZ2-CD1 3.4Å; W525-Y877 HydrophobicContact CZ2-CD1 3.4Å; W525-Y877 VanDerWaalsContact CZ2-CD1 3.4Å; W525-Y877 AromaticContact CZ2-CE1 3.57Å; W525-Y877 HydrophobicContact CZ2-CE1 3.57Å; W525-Y877 HydrophobicContact CZ2-CG 4.39Å; W525-F879 HydrophobicContact CD2-CZ 4.09Å; W525-F879 AromaticContact CE3-CE2 3.82Å; W525-F879 HydrophobicContact CE3-CE2 3.82Å; W525-F879 AromaticContact CE3-CZ 3.83Å; W525-F879 HydrophobicContact CE3-CZ 3.83Å; W525-F879 AromaticContact CH2-CE2 3.93Å; W525-F879 HydrophobicContact CH2-CE2 3.93Å; W525-F879 HydrophobicContact CH2-CZ 4.21Å; W525-F879 HydrophobicContact CZ2-CZ 4.41Å; W525-F879 AromaticContact CZ3-CE2 3.52Å; W525-F879 HydrophobicContact CZ3-CE2 3.52Å; W525-F879 AromaticContact CZ3-CZ 3.92Å; W525-F879 HydrophobicContact CZ3-CZ 3.92Å; W525-I972 HydrophobicContact CH2-CD1 3.73Å; W525-I972 HydrophobicContact CZ3-CD1 4.11Å; W525-V974 HydrophobicContact CH2-CG2 4.27Å; W525-V974 HydrophobicContact CZ2-CG2 4.24Å |
| 526 | Y | 96.6 | Very high | 93.2 | Very high | 1 Ų | 1 | 26 Ų | 26 | 0% | 0.004 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 138.1 | 178.3 | 167.3 | -110.7 | 0 | 0 | 0 | 111.4 | D507 T514 V516 V694 A698 E700 A703 | D507-Y526 PolarHBondContact OD2-OH 2.68Å; D507-Y526 VanDerWaalsContact OD2-OH 3.1Å; T514-Y526 PolarHBondContact N-O 2.83Å; T514-Y526 PolarHBondContact O-N 2.66Å; T514-Y526 PolarHBondContact OG1-O 2.73Å; T514-Y526 VanDerWaalsContact OG1-O 3.14Å; V516-Y526 HydrophobicContact CG1-CD1 4.22Å; Y526-V694 WeakPolarHBondContact CA-O 3.46Å; Y526-V694 HydrophobicContact CD2-CG1 4.49Å; Y526-A698 PolarHBondContact OH-O 3.44Å; Y526-E700 HydrophobicContact CD1-CB 3.96Å; Y526-E700 HydrophobicContact CD1-CG 4.08Å; Y526-E700 HydrophobicContact CE1-CB 3.67Å; Y526-E700 HydrophobicContact CE1-CG 4.3Å; Y526-E700 PolarHBondContact OH-N 3.05Å; Y526-A703 HydrophobicContact CD2-CB 3.52Å; Y526-A703 HydrophobicContact CE2-CB 4.02Å; Y526-A703 HydrophobicContact CG-CB 4.16Å |
| 527 | K | 94.4 | Very high | 93.3 | Very high | 4 Ų | 4 | 24.4 Ų | 24.4 | 2% | 0.017 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 132.8 | 165.9 | -169.6 | -177.7 | 176.4 | -94.3 | 0 | 109 | R510 D530 V694 H695 G696 Y868 | R510-K527 WeakPolarHBondContact O-CE 3.38Å; K527-D530 IonicContact NZ-OD1 3.63Å; K527-D530 PolarHBondContact NZ-OD1 3.33Å; K527-V694 PolarHBondContact N-O 2.97Å; K527-V694 VanDerWaalsContact N-O 3.1Å; K527-H695 WeakPolarHBondContact O-CA 3.29Å; K527-H695 PolarHBondContact O-CD2 2.84Å; K527-G696 PolarHBondContact O-N 3.48Å; K527-Y868 HydrophobicContact CD-CE2 3.74Å; K527-Y868 WeakPolarHBondContact CD-OH 3.29Å; K527-Y868 WeakPolarHBondContact CE-OH 3.29Å |
| 528 | K | 93.8 | Very high | 93.5 | Very high | 25 Ų | 25 | 24.1 Ų | 24.1 | 11% | 0.109 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 145.3 | 168.5 | -158.9 | 170 | -144.8 | 137 | 0 | 110.4 | A505 D507 D530 A698 | A505-K528 WeakPolarHBondContact O-CE 3.3Å; A505-K528 PolarHBondContact O-NZ 3.49Å; D507-K528 HydrophobicContact CB-CD 4.42Å; D507-K528 IonicContact OD1-NZ 3.58Å; D507-K528 PolarHBondContact OD1-NZ 3.28Å; D507-K528 WeakPolarHBondContact OD2-CD 3.37Å; D507-K528 IonicContact OD2-NZ 3.24Å; D507-K528 PolarHBondContact OD2-NZ 2.82Å; K528-D530 PolarHBondContact O-N 3.41Å; K528-A698 WeakPolarHBondContact CE-O 3.45Å |
| 529 | D | 91.9 | Very high | 93.7 | Very high | 15 Ų | 15 | 21.2 Ų | 21.2 | 8% | 0.08 | 11% | 0.105 | C | C | . | . | trans | -70.2 | 118.5 | 167.4 | 177.9 | 26.8 | 0 | 0 | 0 | 110.7 | E531 F532 L533 G696 L861 | D529-E531 PolarHBondContact OD1-N 2.85Å; D529-F532 WeakPolarHBondContact OD1-CD2 3.47Å; D529-F532 PolarHBondContact OD1-N 2.84Å; D529-F532 WeakPolarHBondContact OD2-CB 3.01Å; D529-L533 PolarHBondContact OD2-N 3.49Å; D529-G696 PolarHBondContact N-O 3.12Å; D529-L861 HydrophobicContact CB-CD1 4.18Å | ||
| 530 | D | 87.7 | Confident | 94 | Very high | 50 Ų | 50 | 19.6 Ų | 19.6 | 27% | 0.267 | 10% | 0.096 | S | C | . | . | S | Bend | trans | -118.5 | 3.4 | 176.6 | 68.9 | -42.8 | 0 | 0 | 0 | 113 | K509 K527 K528 | K509-D530 WeakPolarHBondContact CE-OD2 3.45Å; K509-D530 IonicContact NZ-OD2 2.74Å; K527-D530 IonicContact NZ-OD1 3.63Å; K527-D530 PolarHBondContact NZ-OD1 3.33Å; K528-D530 PolarHBondContact O-N 3.41Å |
| 531 | E | 86.4 | Confident | 94.6 | Very high | 67 Ų | 67 | 17.5 Ų | 17.5 | 31% | 0.313 | 9% | 0.085 | S | C | . | . | S | Bend | trans | -120 | -50.4 | -171.2 | -179.8 | 175.8 | -159.2 | 0 | 0 | 113.1 | D529 Y889 | D529-E531 PolarHBondContact OD1-N 2.85Å; E531-Y889 WeakPolarHBondContact OE2-CE2 3.2Å; E531-Y889 VanDerWaalsContact OE2-CZ 3.28Å; E531-Y889 PolarHBondContact OE2-OH 2.92Å |
| 532 | F | 90.7 | Very high | 94.8 | Very high | 37 Ų | 37 | 17.6 Ų | 17.6 | 16% | 0.162 | 9% | 0.086 | C | C | . | . | S | Bend | trans | -87.7 | -33.4 | -173.1 | -51.2 | -70.7 | 0 | 0 | 0 | 112.1 | D529 L534 P858 K860 L861 A864 | D529-F532 WeakPolarHBondContact OD1-CD2 3.47Å; D529-F532 PolarHBondContact OD1-N 2.84Å; D529-F532 WeakPolarHBondContact OD2-CB 3.01Å; F532-L534 VanDerWaalsContact C-N 3.26Å; F532-L534 PolarHBondContact O-N 2.72Å; F532-P858 VanDerWaalsContact CE1-O 3.25Å; F532-P858 WeakPolarHBondContact CE1-O 3.48Å; F532-P858 HydrophobicContact CZ-CB 4.41Å; F532-P858 WeakPolarHBondContact CZ-O 3.35Å; F532-K860 VanDerWaalsContact CE1-CA 3.46Å; F532-K860 VanDerWaalsContact CE1-N 3.31Å; F532-K860 VanDerWaalsContact CZ-C 3.49Å; F532-L861 HydrophobicContact CD2-CB 3.77Å; F532-L861 HydrophobicContact CD2-CD1 3.98Å; F532-L861 HydrophobicContact CE2-CB 4.29Å; F532-L861 HydrophobicContact CE2-CD1 4.37Å; F532-L861 HydrophobicContact CG-CB 4.3Å; F532-A864 HydrophobicContact CE2-CB 3.87Å; F532-A864 HydrophobicContact CZ-CB 4.05Å |
| 533 | L | 91.6 | Very high | 94.9 | Very high | 66 Ų | 66 | 17.8 Ų | 17.8 | 35% | 0.346 | 9% | 0.087 | S | C | . | . | trans | 54 | 41.4 | 175.8 | -54 | 178.4 | 0 | 0 | 0 | 112.6 | L503 D529 | L503-L533 HydrophobicContact CD1-CB 4.06Å; L503-L533 WeakPolarHBondContact CD1-O 2.96Å; L503-L533 WeakPolarHBondContact CD2-O 3.15Å; D529-L533 PolarHBondContact OD2-N 3.49Å | ||
| 534 | L | 94.6 | Very high | 94.8 | Very high | 17 Ų | 17 | 17.7 Ų | 17.7 | 9% | 0.089 | 9% | 0.086 | C | C | . | . | trans | -104 | 154.2 | 175.3 | -65.9 | -179.9 | 0 | 0 | 0 | 110.6 | E25 F390 F532 K536 N697 | E25-L534 HydrophobicContact CB-CD2 4.38Å; E25-L534 HydrophobicContact CG-CD2 4.45Å; F390-L534 HydrophobicContact CD1-CD2 4.3Å; F532-L534 VanDerWaalsContact C-N 3.26Å; F532-L534 PolarHBondContact O-N 2.72Å; L534-K536 HydrophobicContact CB-CB 4.38Å; L534-K536 HydrophobicContact CB-CD 4.16Å; L534-K536 HydrophobicContact CB-CG 4.32Å; L534-K536 HydrophobicContact CD1-CD 4.14Å; L534-K536 PolarHBondContact O-N 3.11Å; L534-N697 WeakPolarHBondContact O-CB 3.33Å | ||
| 535 | P | 96.8 | Very high | 94.5 | Very high | 3 Ų | 3 | 17.8 Ų | 17.8 | 2% | 0.019 | 9% | 0.087 | C | C | . | . | S | Bend | trans | -75.3 | 51.1 | 177 | 33.4 | -38.2 | 0 | 0 | 0 | 112.1 | F390 F501 F599 N600 | F390-P535 VanDerWaalsContact CD1-CD 3.47Å; F390-P535 HydrophobicContact CD1-CG 3.64Å; F390-P535 HydrophobicContact CD2-CG 4.28Å; F390-P535 HydrophobicContact CE1-CG 3.72Å; F390-P535 HydrophobicContact CE2-CG 4.35Å; F390-P535 HydrophobicContact CG-CG 3.92Å; F390-P535 HydrophobicContact CZ-CG 4.08Å; F501-P535 HydrophobicContact CB-CB 4.08Å; F501-P535 HydrophobicContact CB-CG 4.03Å; F501-P535 HydrophobicContact CD1-CB 4.24Å; F501-P535 HydrophobicContact CD1-CG 3.81Å; F501-P535 HydrophobicContact CG-CG 4.4Å; P535-F599 HydrophobicContact CG-CD1 4.11Å; P535-F599 HydrophobicContact CG-CE1 4.13Å; P535-F599 WeakPolarHBondContact O-CA 3.3Å; P535-F599 WeakPolarHBondContact O-CD1 3.38Å; P535-N600 PolarHBondContact O-N 3.03Å; P535-N600 PolarHBondContact O-OD1 3.04Å; P535-N600 VanDerWaalsContact O-OD1 3.04Å |
| 536 | K | 97.5 | Very high | 94 | Very high | 32 Ų | 32 | 19.5 Ų | 19.5 | 14% | 0.139 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 147.9 | -170.9 | -73.2 | 174.3 | 169 | 171.7 | 0 | 110.6 | F390 D392 L534 G598 F599 N697 L861 | F390-K536 WeakPolarHBondContact O-CE 3.4Å; F390-K536 PolarHBondContact O-NZ 3.35Å; D392-K536 IonicContact OD1-NZ 2.74Å; D392-K536 PolarHBondContact OD1-NZ 2.93Å; L534-K536 HydrophobicContact CB-CB 4.38Å; L534-K536 HydrophobicContact CB-CD 4.16Å; L534-K536 HydrophobicContact CB-CG 4.32Å; L534-K536 HydrophobicContact CD1-CD 4.14Å; L534-K536 PolarHBondContact O-N 3.11Å; K536-G598 CarbonylContact C-O 3.59Å; K536-G598 WeakPolarHBondContact CA-O 3.37Å; K536-F599 HydrophobicContact CG-CD1 4.34Å; K536-N697 WeakPolarHBondContact O-CB 3.47Å; K536-N697 PolarHBondContact O-N 3.5Å; K536-L861 HydrophobicContact CB-CD2 4.14Å; K536-L861 WeakPolarHBondContact O-CD2 3.36Å |
| 537 | C | 97.5 | Very high | 93.7 | Very high | 1 Ų | 1 | 22.7 Ų | 22.7 | 1% | 0.007 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 160.3 | 173.3 | -168.3 | 0 | 0 | 0 | 0 | 110.9 | S597 G598 N600 M603 | C537-S597 WeakPolarHBondContact O-CA 3.29Å; C537-G598 PolarHBondContact N-O 3.01Å; C537-G598 PolarHBondContact O-N 3.16Å; C537-G598 VanDerWaalsContact O-N 3.12Å; C537-N600 HydrophobicContact CB-CB 3.96Å; C537-M603 HydrophobicContact CB-CE 3.96Å; C537-M603 HydrophobicContact CB-SD 3.72Å; C537-M603 VanDerWaalsContact O-CE 3.26Å; C537-M603 WeakPolarHBondContact O-CE 3.29Å |
| 538 | V | 98.1 | Very high | 93.5 | Very high | 11 Ų | 11 | 22.7 Ų | 22.7 | 7% | 0.067 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 122.4 | 173.3 | -178.3 | 0 | 0 | 0 | 0 | 107.4 | Q540 V694 H695 L861 | V538-Q540 HydrophobicContact CG1-CG 3.64Å; V538-V694 WeakPolarHBondContact O-CA 3.46Å; V538-H695 PolarHBondContact N-O 3.45Å; V538-H695 PolarHBondContact O-N 3.15Å; V538-L861 HydrophobicContact CG2-CD2 4.02Å; V538-L861 HydrophobicContact CG2-CG 3.99Å |
| 539 | V | 98.3 | Very high | 93.4 | Very high | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.006 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 113.7 | 175.5 | 180 | 0 | 0 | 0 | 0 | 106.7 | V541 N595 V596 M603 L607 L693 V694 L706 | V539-V541 HydrophobicContact CG1-CG2 3.93Å; V539-N595 CarbonylContact O-C 3.52Å; V539-N595 VanDerWaalsContact O-CA 3.32Å; V539-N595 WeakPolarHBondContact O-CA 3.18Å; V539-V596 PolarHBondContact N-O 2.88Å; V539-V596 PolarHBondContact O-N 3.06Å; V539-M603 HydrophobicContact CG2-CG 4.43Å; V539-M603 HydrophobicContact CG2-SD 3.65Å; V539-L607 HydrophobicContact CG1-CD2 4.34Å; V539-L693 WeakPolarHBondContact CA-O 3.44Å; V539-V694 HydrophobicContact CG1-CG2 4.26Å; V539-V694 HydrophobicContact CG2-CG1 4.43Å; V539-V694 HydrophobicContact CG2-CG2 4.23Å; V539-L706 HydrophobicContact CG2-CD1 4.14Å |
| 540 | Q | 98.3 | Very high | 93.3 | Very high | 19 Ų | 19 | 23.6 Ų | 23.6 | 9% | 0.089 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 131.3 | 178.6 | -49.2 | -163.6 | -114.1 | 0 | 0 | 108.5 | V538 N595 A692 L693 S865 W869 | V538-Q540 HydrophobicContact CG1-CG 3.64Å; Q540-N595 WeakPolarHBondContact CB-OD1 3.29Å; Q540-N595 WeakPolarHBondContact CG-OD1 3.45Å; Q540-N595 PolarHBondContact NE2-OD1 3.41Å; Q540-A692 CarbonylContact O-C 3.6Å; Q540-A692 WeakPolarHBondContact O-CA 3.42Å; Q540-A692 WeakPolarHBondContact O-CB 3.25Å; Q540-L693 HydrophobicContact CB-CB 4.42Å; Q540-L693 PolarHBondContact N-O 3.48Å; Q540-L693 PolarHBondContact O-N 2.85Å; Q540-S865 PolarHBondContact OE1-O 3Å; Q540-W869 VanDerWaalsContact C-CH2 3.48Å; Q540-W869 HydrophobicContact CB-CD2 3.65Å; Q540-W869 HydrophobicContact CB-CE3 3.7Å; Q540-W869 HydrophobicContact CB-CG 4.33Å; Q540-W869 HydrophobicContact CB-CH2 3.83Å; Q540-W869 HydrophobicContact CB-CZ2 3.75Å; Q540-W869 HydrophobicContact CB-CZ3 3.81Å; Q540-W869 HydrophobicContact CG-CD2 4.36Å; Q540-W869 VanDerWaalsContact NE2-CD1 3.27Å; Q540-W869 WeakPolarHBondContact O-CH2 3.32Å |
| 541 | V | 97.9 | Very high | 93.5 | Very high | 1 Ų | 1 | 23.6 Ų | 23.6 | 1% | 0.006 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 130 | -170.4 | -171.8 | 0 | 0 | 0 | 0 | 108.7 | V539 L543 Q593 L594 I690 A692 I710 | V539-V541 HydrophobicContact CG1-CG2 3.93Å; V541-L543 HydrophobicContact CG1-CD2 3.96Å; V541-L543 HydrophobicContact CG1-CG 4.42Å; V541-Q593 CarbonylContact O-C 3.47Å; V541-Q593 VanDerWaalsContact O-CA 3.27Å; V541-Q593 WeakPolarHBondContact O-CA 3.39Å; V541-L594 HydrophobicContact CB-CB 4.33Å; V541-L594 WeakPolarHBondContact CB-O 3.26Å; V541-L594 PolarHBondContact N-O 3.33Å; V541-L594 PolarHBondContact O-N 2.89Å; V541-I690 HydrophobicContact CG1-CG2 3.8Å; V541-A692 HydrophobicContact CG2-CB 4.35Å; V541-I710 HydrophobicContact CB-CD1 4.39Å; V541-I710 HydrophobicContact CG1-CD1 3.97Å; V541-I710 HydrophobicContact CG2-CD1 3.59Å |
| 542 | M | 95.8 | Very high | 94 | Very high | 4 Ų | 4 | 21.4 Ų | 21.4 | 2% | 0.02 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 103.7 | -178 | -177.2 | 167.9 | 56 | 0 | 0 | 108.4 | R544 T591 E691 W869 I872 T873 | M542-R544 VanDerWaalsContact CE-NH2 3.35Å; M542-R544 HydrophobicContact CG-CG 4.45Å; M542-T591 HydrophobicContact CG-CG2 3.35Å; M542-T591 HydrophobicContact SD-CG2 3.67Å; M542-E691 WeakPolarHBondContact CA-O 3.47Å; M542-E691 HydrophobicContact CB-CB 4.46Å; M542-E691 VanDerWaalsContact CB-O 3.3Å; M542-E691 WeakPolarHBondContact CB-O 3.26Å; M542-E691 HydrophobicContact CE-CB 3.76Å; M542-E691 HydrophobicContact CE-CG 3.75Å; M542-E691 WeakPolarHBondContact CE-OE2 3.45Å; M542-E691 PolarHBondContact N-O 3.19Å; M542-E691 PolarHBondContact O-N 2.87Å; M542-W869 HydrophobicContact CB-CH2 3.78Å; M542-W869 HydrophobicContact CB-CZ2 3.78Å; M542-I872 HydrophobicContact CE-CG2 4.09Å; M542-T873 HydrophobicContact SD-CG2 3.85Å |
| 543 | L | 95 | Very high | 94.2 | Very high | 5 Ų | 5 | 21.6 Ų | 21.6 | 3% | 0.026 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 106.1 | 175.5 | -54.6 | 180 | 0 | 0 | 0 | 108.8 | V541 T591 L592 M614 F685 I690 | V541-L543 HydrophobicContact CG1-CD2 3.96Å; V541-L543 HydrophobicContact CG1-CG 4.42Å; L543-T591 CarbonylContact O-C 3.55Å; L543-T591 VanDerWaalsContact O-CA 3.29Å; L543-T591 WeakPolarHBondContact O-CA 3.48Å; L543-L592 HydrophobicContact CB-CB 4.28Å; L543-L592 WeakPolarHBondContact CB-O 3.09Å; L543-L592 HydrophobicContact CD1-CD2 4.38Å; L543-L592 PolarHBondContact N-O 2.76Å; L543-L592 PolarHBondContact O-N 3.16Å; L543-M614 HydrophobicContact CD1-CE 3.61Å; L543-F685 HydrophobicContact CD1-CE1 4.26Å; L543-I690 HydrophobicContact CD2-CB 4.28Å; L543-I690 HydrophobicContact CD2-CD1 4.16Å; L543-I690 HydrophobicContact CD2-CG1 3.71Å; L543-I690 HydrophobicContact CD2-CG2 4.13Å |
| 544 | R | 93.3 | Very high | 94.4 | Very high | 4 Ų | 4 | 19.3 Ų | 19.3 | 2% | 0.015 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 128.4 | 176.6 | -66 | 171.3 | -176.2 | -96 | 9.8 | 109.6 | M542 T591 L688 H689 E691 L723 E875 | M542-R544 VanDerWaalsContact CE-NH2 3.35Å; M542-R544 HydrophobicContact CG-CG 4.45Å; R544-T591 HydrophobicContact CG-CG2 3.99Å; R544-L688 WeakPolarHBondContact O-CA 3.33Å; R544-H689 HydrophobicContact CB-CB 4.38Å; R544-H689 PolarHBondContact N-O 2.96Å; R544-H689 PolarHBondContact O-N 3.23Å; R544-E691 IonicContact CZ-OE2 3.65Å; R544-E691 IonicContact NE-OE2 3.94Å; R544-E691 PolarHBondContact NE-OE2 2.88Å; R544-E691 IonicContact NH2-OE2 2.84Å; R544-E691 PolarHBondContact NH2-OE2 3.34Å; R544-L723 HydrophobicContact CB-CD2 4.07Å; R544-E875 IonicContact CZ-OE1 2.68Å; R544-E875 IonicContact NH1-OE1 2.71Å; R544-E875 PolarHBondContact NH1-OE1 3.44Å; R544-E875 IonicContact NH2-OE1 3.79Å; R544-E875 PolarHBondContact NH2-OE1 3.25Å |
| 545 | S | 91.1 | Very high | 94.4 | Very high | 2 Ų | 2 | 19.3 Ų | 19.3 | 1% | 0.014 | 11% | 0.11 | C | C | . | . | trans | -147.9 | 136 | 174.7 | -176.9 | 0 | 0 | 0 | 0 | 110.5 | K547 L684 | S545-K547 PolarHBondContact O-N 2.76Å; S545-K547 VanDerWaalsContact O-N 3.16Å; S545-K547 PolarHBondContact OG-N 2.98Å; S545-L684 PolarHBondContact OG-O 2.86Å | ||
| 546 | P | 86.6 | Confident | 94.4 | Very high | 44 Ų | 44 | 19.2 Ų | 19.2 | 29% | 0.286 | 11% | 0.109 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -11.4 | 178.2 | 29.2 | -35.1 | 0 | 0 | 0 | 112.8 | L723 | P546-L723 HydrophobicContact CG-CD1 4.18Š|
| 547 | K | 89.8 | Confident | 94.4 | Very high | 68 Ų | 68 | 19.5 Ų | 19.5 | 30% | 0.296 | 11% | 0.109 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -1.2 | -176.8 | -67.9 | -72.4 | -175.3 | 155.8 | 0 | 114.7 | S545 E554 F680 D683 | S545-K547 PolarHBondContact O-N 2.76Å; S545-K547 VanDerWaalsContact O-N 3.16Å; S545-K547 PolarHBondContact OG-N 2.98Å; K547-E554 WeakPolarHBondContact O-CB 3.28Å; K547-F680 WeakPolarHBondContact O-CE2 3.48Å; K547-D683 HydrophobicContact CD-CB 4.13Å; K547-D683 HydrophobicContact CG-CB 4.24Å; K547-D683 IonicContact NZ-OD2 3.46Å; K547-D683 PolarHBondContact NZ-OD2 2.86Å |
| 548 | L | 91.4 | Very high | 94.3 | Very high | 4 Ų | 4 | 19.5 Ų | 19.5 | 2% | 0.021 | 11% | 0.11 | C | C | . | . | S | Bend | trans | -81.7 | -29.8 | -170.6 | -76 | 159.7 | 0 | 0 | 0 | 115.1 | A555 A558 A587 Q590 T591 L592 F680 L684 | L548-A555 WeakPolarHBondContact O-CA 3.5Å; L548-A558 HydrophobicContact CD2-CB 4.03Å; L548-A558 WeakPolarHBondContact O-CB 3.22Å; L548-A587 HydrophobicContact CD2-CB 4.34Å; L548-Q590 WeakPolarHBondContact CD1-O 3.4Å; L548-T591 VanDerWaalsContact CD1-C 3.41Å; L548-T591 VanDerWaalsContact CD1-CA 3.47Å; L548-L592 HydrophobicContact CD1-CB 4.39Å; L548-L592 VanDerWaalsContact CD1-N 3.32Å; L548-L592 HydrophobicContact CD2-CB 4.2Å; L548-F680 HydrophobicContact CD2-CZ 4.33Å; L548-L684 HydrophobicContact CD1-CD1 4.45Å; L548-L684 HydrophobicContact CD2-CD1 3.72Å; L548-L684 HydrophobicContact CG-CD1 3.89Å |
| 549 | S | 90.3 | Very high | 94.3 | Very high | 11 Ų | 11 | 22.1 Ų | 22.1 | 8% | 0.077 | 12% | 0.121 | C | C | . | . | S | Bend | trans | -165 | 39.9 | -175.1 | 179.1 | 0 | 0 | 0 | 0 | 111.4 | D551 Q589 W660 | S549-D551 PolarHBondContact O-N 3.15Å; S549-Q589 WeakPolarHBondContact CB-O 3.26Å; S549-W660 PolarHBondContact O-NE1 3.39Å; S549-W660 PolarHBondContact OG-NE1 3.39Å |
| 550 | S | 90.3 | Very high | 94.2 | Very high | 49 Ų | 49 | 22.1 Ų | 22.1 | 34% | 0.343 | 12% | 0.121 | S | C | . | . | S | Bend | trans | -61.7 | -30.6 | 174.8 | 47.3 | 0 | 0 | 0 | 0 | 112.9 | E554 W660 | S550-E554 WeakPolarHBondContact OG-CG 3.24Å; S550-W660 WeakPolarHBondContact O-CZ2 3.2Å |
| 551 | D | 93.1 | Very high | 94.2 | Very high | 50 Ų | 50 | 21.2 Ų | 21.2 | 27% | 0.267 | 12% | 0.117 | S | C | . | . | S | Bend | trans | -152.8 | 171.3 | -178.2 | 55.1 | 81.9 | 0 | 0 | 0 | 108.8 | S549 T553 E554 A555 W660 | S549-D551 PolarHBondContact O-N 3.15Å; D551-T553 VanDerWaalsContact C-N 3.31Å; D551-T553 PolarHBondContact O-N 2.87Å; D551-T553 WeakPolarHBondContact OD1-CA 3.4Å; D551-T553 WeakPolarHBondContact OD1-CB 3.43Å; D551-T553 PolarHBondContact OD1-N 2.71Å; D551-T553 PolarHBondContact OD1-OG1 3.29Å; D551-E554 PolarHBondContact O-N 2.85Å; D551-E554 PolarHBondContact OD1-N 3.37Å; D551-E554 WeakPolarHBondContact OD2-CG 3.18Å; D551-A555 PolarHBondContact O-N 2.95Å; D551-W660 VanDerWaalsContact C-CE2 3.49Å; D551-W660 PolarHBondContact O-NE1 3.21Å |
| 552 | P | 95.1 | Very high | 94.2 | Very high | 21 Ų | 21 | 21.7 Ų | 21.7 | 14% | 0.136 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -60.9 | -34.2 | 179.2 | -24.8 | 34.5 | 0 | 0 | 0 | 114.2 | A555 V556 W660 E664 L665 E668 | P552-A555 PolarHBondContact O-N 2.84Å; P552-V556 WeakPolarHBondContact O-CG2 3.36Å; P552-V556 PolarHBondContact O-N 3.32Å; P552-W660 HydrophobicContact CB-CB 4.38Å; P552-W660 HydrophobicContact CB-CD2 4.46Å; P552-W660 HydrophobicContact CB-CG 4.19Å; P552-W660 HydrophobicContact CG-CB 4.2Å; P552-W660 HydrophobicContact CG-CD2 3.68Å; P552-W660 HydrophobicContact CG-CE3 3.71Å; P552-W660 HydrophobicContact CG-CG 3.87Å; P552-W660 HydrophobicContact CG-CZ3 4.39Å; P552-E664 HydrophobicContact CB-CB 4.12Å; P552-E664 HydrophobicContact CG-CB 3.97Å; P552-L665 HydrophobicContact CB-CD2 4.44Å; P552-E668 HydrophobicContact CB-CG 3.93Å |
| 553 | T | 95.8 | Very high | 94.2 | Very high | 41 Ų | 41 | 24.2 Ų | 24.2 | 25% | 0.252 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -62 | -50.1 | 178.9 | -19.6 | 0 | 0 | 0 | 0 | 111.2 | D551 A555 V556 R557 | D551-T553 VanDerWaalsContact C-N 3.31Å; D551-T553 PolarHBondContact O-N 2.87Å; D551-T553 WeakPolarHBondContact OD1-CA 3.4Å; D551-T553 WeakPolarHBondContact OD1-CB 3.43Å; D551-T553 PolarHBondContact OD1-N 2.71Å; D551-T553 PolarHBondContact OD1-OG1 3.29Å; T553-A555 VanDerWaalsContact C-N 3.31Å; T553-A555 PolarHBondContact O-N 2.8Å; T553-V556 PolarHBondContact O-N 2.93Å; T553-R557 WeakPolarHBondContact O-CG 3.48Å; T553-R557 PolarHBondContact O-N 3.45Å |
| 554 | E | 94.8 | Very high | 94.3 | Very high | 17 Ų | 17 | 24.2 Ų | 24.2 | 8% | 0.079 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -64.7 | -35.6 | 178.1 | -69 | -55.8 | 136.1 | 0 | 0 | 111.8 | K547 S550 D551 R557 A558 F680 | K547-E554 WeakPolarHBondContact O-CB 3.28Å; S550-E554 WeakPolarHBondContact OG-CG 3.24Å; D551-E554 PolarHBondContact O-N 2.85Å; D551-E554 PolarHBondContact OD1-N 3.37Å; D551-E554 WeakPolarHBondContact OD2-CG 3.18Å; E554-R557 PolarHBondContact O-N 2.89Å; E554-R557 IonicContact OE1-CZ 3.35Å; E554-R557 IonicContact OE1-NH1 2.69Å; E554-R557 PolarHBondContact OE1-NH1 3.35Å; E554-A558 VanDerWaalsContact O-CB 3.31Å; E554-A558 WeakPolarHBondContact O-CB 3.33Å; E554-A558 PolarHBondContact O-N 2.94Å; E554-F680 VanDerWaalsContact OE2-CD2 3.29Å; E554-F680 WeakPolarHBondContact OE2-CD2 3.34Å |
| 555 | A | 95.3 | Very high | 94.4 | Very high | 17 Ų | 17 | 24 Ų | 24 | 14% | 0.14 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -64.9 | -39.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | L548 D551 P552 T553 H559 L665 | L548-A555 WeakPolarHBondContact O-CA 3.5Å; D551-A555 PolarHBondContact O-N 2.95Å; P552-A555 PolarHBondContact O-N 2.84Å; T553-A555 VanDerWaalsContact C-N 3.31Å; T553-A555 PolarHBondContact O-N 2.8Å; A555-H559 PolarHBondContact O-N 3.25Å; A555-L665 HydrophobicContact CB-CD2 3.93Å |
| 556 | V | 97.2 | Very high | 94.7 | Very high | 1 Ų | 1 | 27.8 Ų | 27.8 | 1% | 0.006 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -66.9 | -46 | 172.8 | 169.1 | 0 | 0 | 0 | 0 | 110.8 | P552 T553 A558 H559 M560 Y631 L665 E668 A669 I672 | P552-V556 WeakPolarHBondContact O-CG2 3.36Å; P552-V556 PolarHBondContact O-N 3.32Å; T553-V556 PolarHBondContact O-N 2.93Å; V556-A558 VanDerWaalsContact C-N 3.32Å; V556-A558 PolarHBondContact O-N 2.83Å; V556-H559 PolarHBondContact O-N 3.4Å; V556-M560 HydrophobicContact CG1-CG 4.37Å; V556-M560 WeakPolarHBondContact O-CB 3.42Å; V556-M560 WeakPolarHBondContact O-CG 3.21Å; V556-M560 PolarHBondContact O-N 3.24Å; V556-Y631 HydrophobicContact CG1-CE1 4.24Å; V556-Y631 HydrophobicContact CG2-CE1 4.25Å; V556-L665 HydrophobicContact CG2-CB 4.36Å; V556-L665 HydrophobicContact CG2-CD2 3.89Å; V556-L665 WeakPolarHBondContact CG2-O 3.5Å; V556-E668 HydrophobicContact CG2-CB 4.09Å; V556-A669 HydrophobicContact CG1-CB 3.89Å; V556-A669 HydrophobicContact CG2-CB 4.14Å; V556-I672 HydrophobicContact CG1-CB 4.33Å; V556-I672 HydrophobicContact CG1-CD1 3.85Å; V556-I672 HydrophobicContact CG1-CG2 4.2Å |
| 557 | R | 97.1 | Very high | 95 | Very high | 38 Ų | 38 | 27 Ų | 27 | 14% | 0.143 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -57.2 | -44.2 | 175.5 | -73.3 | 171.1 | 172.7 | 140.1 | 8.8 | 111.5 | T553 E554 M560 Y561 I672 D676 F680 | T553-R557 WeakPolarHBondContact O-CG 3.48Å; T553-R557 PolarHBondContact O-N 3.45Å; E554-R557 PolarHBondContact O-N 2.89Å; E554-R557 IonicContact OE1-CZ 3.35Å; E554-R557 IonicContact OE1-NH1 2.69Å; E554-R557 PolarHBondContact OE1-NH1 3.35Å; R557-M560 PolarHBondContact O-N 2.95Å; R557-Y561 WeakPolarHBondContact O-CB 3.36Å; R557-Y561 PolarHBondContact O-N 2.93Å; R557-I672 HydrophobicContact CB-CD1 4.44Å; R557-I672 HydrophobicContact CG-CD1 3.8Å; R557-D676 HydrophobicContact CG-CB 4.27Å; R557-D676 IonicContact CZ-OD1 2.75Å; R557-D676 IonicContact NE-OD1 3.18Å; R557-D676 PolarHBondContact NE-OD1 3.33Å; R557-D676 IonicContact NH2-OD1 2.74Å; R557-D676 PolarHBondContact NH2-OD1 2.93Å; R557-F680 HydrophobicContact CB-CB 4.07Å; R557-F680 HydrophobicContact CB-CD1 4.46Å; R557-F680 HydrophobicContact CB-CD2 3.49Å; R557-F680 VanDerWaalsContact CB-CD2 3.49Å; R557-F680 HydrophobicContact CB-CE2 4.02Å; R557-F680 HydrophobicContact CB-CG 3.74Å; R557-F680 HydrophobicContact CG-CB 4.47Å; R557-F680 HydrophobicContact CG-CD2 4.44Å |
| 558 | A | 96.6 | Very high | 95.3 | Very high | 2 Ų | 2 | 25.7 Ų | 25.7 | 2% | 0.017 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -63 | -43.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | L548 E554 V556 V562 A587 F680 | L548-A558 HydrophobicContact CD2-CB 4.03Å; L548-A558 WeakPolarHBondContact O-CB 3.22Å; E554-A558 VanDerWaalsContact O-CB 3.31Å; E554-A558 WeakPolarHBondContact O-CB 3.33Å; E554-A558 PolarHBondContact O-N 2.94Å; V556-A558 VanDerWaalsContact C-N 3.32Å; V556-A558 PolarHBondContact O-N 2.83Å; A558-V562 WeakPolarHBondContact O-CG2 3.33Å; A558-V562 PolarHBondContact O-N 2.96Å; A558-V562 VanDerWaalsContact O-N 3.11Å; A558-A587 HydrophobicContact CB-CB 4.07Å; A558-F680 HydrophobicContact CB-CE1 4.34Å; A558-F680 HydrophobicContact CB-CE2 4.1Å; A558-F680 HydrophobicContact CB-CZ 3.57Å |
| 559 | H | 96.4 | Very high | 95.5 | Very high | 66 Ų | 66 | 25.7 Ų | 25.7 | 31% | 0.306 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -61.5 | -50.2 | 175.5 | -173.7 | 94.6 | 0 | 0 | 0 | 111.5 | A555 V556 V562 K563 Y631 | A555-H559 PolarHBondContact O-N 3.25Å; V556-H559 PolarHBondContact O-N 3.4Å; H559-V562 PolarHBondContact O-N 3.35Å; H559-K563 WeakPolarHBondContact O-CB 3.46Å; H559-K563 PolarHBondContact O-N 2.68Å; H559-Y631 HydrophobicContact CB-CE1 4.31Å; H559-Y631 AromaticContact CD2-CD1 3.93Å; H559-Y631 AromaticContact CD2-CD2 3.53Å; H559-Y631 AromaticContact CD2-CE1 3.93Å; H559-Y631 AromaticContact CD2-CE2 3.54Å; H559-Y631 AromaticContact CD2-CG 3.74Å; H559-Y631 AromaticContact CD2-CZ 3.74Å; H559-Y631 AromaticContact CE1-CD2 3.94Å; H559-Y631 AromaticContact CE1-CE2 3.69Å; H559-Y631 AromaticContact CG-CE2 3.77Å; H559-Y631 AromaticContact CG-CZ 3.71Å; H559-Y631 AromaticContact ND1-CE2 3.85Å; H559-Y631 AromaticContact NE2-CD2 3.35Å; H559-Y631 WeakPolarHBondContact NE2-CD2 3.44Å; H559-Y631 AromaticContact NE2-CE2 3.53Å; H559-Y631 AromaticContact NE2-CG 3.93Å |
| 560 | M | 97.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -65.5 | -41.4 | -178.2 | -74 | -56.8 | -60.2 | 0 | 0 | 112.1 | V556 R557 V562 K563 M564 F624 A627 K628 Y631 I672 L677 | V556-M560 HydrophobicContact CG1-CG 4.37Å; V556-M560 WeakPolarHBondContact O-CB 3.42Å; V556-M560 WeakPolarHBondContact O-CG 3.21Å; V556-M560 PolarHBondContact O-N 3.24Å; R557-M560 PolarHBondContact O-N 2.95Å; M560-V562 PolarHBondContact O-N 2.69Å; M560-K563 PolarHBondContact O-N 3.3Å; M560-M564 WeakPolarHBondContact O-CB 3.12Å; M560-M564 VanDerWaalsContact O-CG 3.24Å; M560-M564 WeakPolarHBondContact O-CG 3.42Å; M560-M564 PolarHBondContact O-N 3.27Å; M560-F624 HydrophobicContact CE-CD2 4.1Å; M560-F624 HydrophobicContact CE-CE2 4.13Å; M560-A627 HydrophobicContact CE-CB 3.97Å; M560-K628 HydrophobicContact CE-CB 3.98Å; M560-Y631 HydrophobicContact CG-CD1 4.34Å; M560-Y631 HydrophobicContact SD-CD1 3.93Å; M560-Y631 HydrophobicContact SD-CG 4.28Å; M560-I672 HydrophobicContact CB-CD1 4.32Å; M560-I672 HydrophobicContact CG-CD1 4.25Å; M560-L677 HydrophobicContact CB-CD1 4.28Å; M560-L677 HydrophobicContact CB-CD2 3.78Å |
| 561 | Y | 97.5 | Very high | 95.8 | Very high | 1 Ų | 1 | 28.4 Ų | 28.4 | 0% | 0.004 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -55.1 | -50 | 171.5 | 169.3 | -98.3 | 0 | 0 | 0 | 111.8 | R557 K563 M564 L565 L592 M614 I617 F619 F680 K681 L684 F685 | R557-Y561 WeakPolarHBondContact O-CB 3.36Å; R557-Y561 PolarHBondContact O-N 2.93Å; Y561-K563 PolarHBondContact O-N 2.6Å; Y561-M564 PolarHBondContact O-N 3.3Å; Y561-L565 HydrophobicContact CE1-CD2 4.12Å; Y561-L565 VanDerWaalsContact O-CB 3.23Å; Y561-L565 WeakPolarHBondContact O-CB 3.39Å; Y561-L565 PolarHBondContact O-N 3.14Å; Y561-L592 HydrophobicContact CE1-CD2 4.11Å; Y561-M614 VanDerWaalsContact OH-CA 3.32Å; Y561-M614 WeakPolarHBondContact OH-CA 3.41Å; Y561-M614 WeakPolarHBondContact OH-CB 3.17Å; Y561-M614 PolarHBondContact OH-O 2.88Å; Y561-I617 HydrophobicContact CE2-CG2 4.14Å; Y561-F619 HydrophobicContact CD2-CE1 4.11Å; Y561-F619 AromaticContact CD2-CZ 3.86Å; Y561-F619 HydrophobicContact CD2-CZ 3.86Å; Y561-F619 HydrophobicContact CE2-CZ 4.28Å; Y561-F680 AromaticContact CD1-CE1 3.98Å; Y561-F680 HydrophobicContact CD1-CE1 3.98Å; Y561-F680 HydrophobicContact CD2-CD1 4.29Å; Y561-F680 HydrophobicContact CD2-CE1 4.48Å; Y561-F680 AromaticContact CG-CD1 3.93Å; Y561-F680 HydrophobicContact CG-CD1 3.93Å; Y561-F680 AromaticContact CG-CE1 3.77Å; Y561-F680 HydrophobicContact CG-CE1 3.77Å; Y561-K681 HydrophobicContact CD2-CB 4.42Å; Y561-K681 HydrophobicContact CE2-CB 4.22Å; Y561-K681 HydrophobicContact CE2-CD 4.43Å; Y561-K681 HydrophobicContact CE2-CG 4.12Å; Y561-L684 HydrophobicContact CD1-CD2 4.2Å; Y561-L684 HydrophobicContact CE1-CD2 3.92Å; Y561-F685 WeakPolarHBondContact OH-CE2 3.39Å; Y561-F685 WeakPolarHBondContact OH-CZ 3.43Å |
| 562 | V | 97.3 | Very high | 95.7 | Very high | 11 Ų | 11 | 30.3 Ų | 30.3 | 7% | 0.067 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -63.6 | -40.3 | 178.2 | 167.8 | 0 | 0 | 0 | 0 | 111.8 | A558 H559 M560 L565 K566 I585 A587 L592 | A558-V562 WeakPolarHBondContact O-CG2 3.33Å; A558-V562 PolarHBondContact O-N 2.96Å; A558-V562 VanDerWaalsContact O-N 3.11Å; H559-V562 PolarHBondContact O-N 3.35Å; M560-V562 PolarHBondContact O-N 2.69Å; V562-L565 PolarHBondContact O-N 2.86Å; V562-K566 HydrophobicContact CG1-CD 4.49Å; V562-K566 WeakPolarHBondContact O-CG 3Å; V562-K566 PolarHBondContact O-N 2.91Å; V562-I585 HydrophobicContact CG1-CG2 4.46Å; V562-A587 HydrophobicContact CG2-CB 4.21Å; V562-L592 HydrophobicContact CG2-CD1 3.58Å |
| 563 | K | 96.1 | Very high | 95.7 | Very high | 56 Ų | 56 | 29.5 Ų | 29.5 | 24% | 0.243 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -63.8 | -48.7 | 179 | 179.7 | 56.7 | 178.5 | 162.5 | 0 | 111 | H559 M560 Y561 L565 K566 E567 A627 | H559-K563 WeakPolarHBondContact O-CB 3.46Å; H559-K563 PolarHBondContact O-N 2.68Å; M560-K563 PolarHBondContact O-N 3.3Å; Y561-K563 PolarHBondContact O-N 2.6Å; K563-L565 VanDerWaalsContact C-N 3.31Å; K563-L565 PolarHBondContact O-N 3.04Å; K563-K566 PolarHBondContact O-N 3.18Å; K563-E567 WeakPolarHBondContact O-CB 3.02Å; K563-E567 PolarHBondContact O-N 3.42Å; K563-A627 HydrophobicContact CG-CB 4.12Å |
| 564 | M | 96.9 | Very high | 95.7 | Very high | 5 Ų | 5 | 29.1 Ų | 29.1 | 3% | 0.025 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62.6 | -36.4 | 175.5 | -68 | -62.1 | -72.1 | 0 | 0 | 112.5 | M560 Y561 E567 A568 I617 F619 D620 T623 F624 A627 L677 | M560-M564 WeakPolarHBondContact O-CB 3.12Å; M560-M564 VanDerWaalsContact O-CG 3.24Å; M560-M564 WeakPolarHBondContact O-CG 3.42Å; M560-M564 PolarHBondContact O-N 3.27Å; Y561-M564 PolarHBondContact O-N 3.3Å; M564-E567 WeakPolarHBondContact O-CB 3.41Å; M564-E567 PolarHBondContact O-N 2.93Å; M564-A568 WeakPolarHBondContact O-CB 3.23Å; M564-A568 PolarHBondContact O-N 3.19Å; M564-I617 HydrophobicContact CB-CD1 4.39Å; M564-F619 HydrophobicContact CB-CD1 3.78Å; M564-F619 HydrophobicContact CB-CE1 4.04Å; M564-F619 HydrophobicContact CE-CB 4.09Å; M564-F619 HydrophobicContact CE-CD1 4.24Å; M564-F619 HydrophobicContact CG-CD1 4.11Å; M564-D620 WeakPolarHBondContact CE-O 3.48Å; M564-T623 HydrophobicContact CE-CG2 3.86Å; M564-T623 HydrophobicContact SD-CG2 3.89Å; M564-F624 HydrophobicContact CE-CB 3.87Å; M564-F624 VanDerWaalsContact SD-CA 3.59Å; M564-F624 HydrophobicContact SD-CB 4.15Å; M564-A627 HydrophobicContact SD-CB 4.1Å; M564-L677 HydrophobicContact CG-CD1 3.92Å |
| 565 | L | 97 | Very high | 95.7 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -68.5 | -44.1 | 178.7 | 176.2 | 64.2 | 0 | 0 | 0 | 113.1 | Y561 V562 K563 E567 A568 L569 I585 K613 M614 I617 | Y561-L565 HydrophobicContact CE1-CD2 4.12Å; Y561-L565 VanDerWaalsContact O-CB 3.23Å; Y561-L565 WeakPolarHBondContact O-CB 3.39Å; Y561-L565 PolarHBondContact O-N 3.14Å; V562-L565 PolarHBondContact O-N 2.86Å; K563-L565 VanDerWaalsContact C-N 3.31Å; K563-L565 PolarHBondContact O-N 3.04Å; L565-E567 VanDerWaalsContact C-N 3.27Å; L565-E567 PolarHBondContact O-N 3.45Å; L565-A568 PolarHBondContact O-N 2.9Å; L565-L569 HydrophobicContact CD1-CD1 3.9Å; L565-L569 HydrophobicContact CD1-CG 4.25Å; L565-L569 HydrophobicContact CG-CD1 3.97Å; L565-L569 WeakPolarHBondContact O-CB 3.34Å; L565-L569 WeakPolarHBondContact O-CG 3.47Å; L565-L569 PolarHBondContact O-N 2.75Å; L565-I585 HydrophobicContact CD2-CD1 3.68Å; L565-K613 HydrophobicContact CD1-CB 4.24Å; L565-K613 HydrophobicContact CD1-CG 3.87Å; L565-M614 HydrophobicContact CD1-CG 4.32Å; L565-M614 HydrophobicContact CD2-CB 4.3Å; L565-M614 HydrophobicContact CD2-CG 3.39Å; L565-M614 HydrophobicContact CG-CG 4.46Å; L565-I617 HydrophobicContact CB-CD1 4.14Å; L565-I617 HydrophobicContact CD1-CD1 4.19Å |
| 566 | K | 95.9 | Very high | 95.8 | Very high | 82 Ų | 82 | 28.7 Ų | 28.7 | 36% | 0.357 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -58 | -44.9 | 172.9 | -75.7 | 179.4 | 178.6 | 176.6 | 0 | 111.1 | V562 K563 L569 N570 I585 | V562-K566 HydrophobicContact CG1-CD 4.49Å; V562-K566 WeakPolarHBondContact O-CG 3Å; V562-K566 PolarHBondContact O-N 2.91Å; K563-K566 PolarHBondContact O-N 3.18Å; K566-L569 PolarHBondContact O-N 2.74Å; K566-L569 VanDerWaalsContact O-N 3.16Å; K566-N570 PolarHBondContact O-N 3.1Å; K566-I585 HydrophobicContact CD-CG2 4.44Å; K566-I585 WeakPolarHBondContact CE-O 3.36Å; K566-I585 HydrophobicContact CG-CG2 3.8Å; K566-I585 PolarHBondContact NZ-O 3.41Å |
| 567 | E | 94.2 | Very high | 95.7 | Very high | 28 Ų | 28 | 31.3 Ų | 31.3 | 13% | 0.131 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -59.8 | -49.7 | 179.4 | -163.9 | 47.8 | -109.8 | 0 | 0 | 111.2 | K317 K563 M564 L565 L569 N570 T623 W626 | K317-E567 WeakPolarHBondContact CD-OE1 3.42Å; K317-E567 WeakPolarHBondContact CE-OE1 3.5Å; K317-E567 IonicContact NZ-OE1 2.88Å; K317-E567 PolarHBondContact NZ-OE1 2.83Å; K317-E567 IonicContact NZ-OE2 2.67Å; K317-E567 PolarHBondContact NZ-OE2 3.14Å; K563-E567 WeakPolarHBondContact O-CB 3.02Å; K563-E567 PolarHBondContact O-N 3.42Å; M564-E567 WeakPolarHBondContact O-CB 3.41Å; M564-E567 PolarHBondContact O-N 2.93Å; L565-E567 VanDerWaalsContact C-N 3.27Å; L565-E567 PolarHBondContact O-N 3.45Å; E567-L569 PolarHBondContact O-N 3.11Å; E567-N570 WeakPolarHBondContact O-CB 3.14Å; E567-N570 PolarHBondContact O-N 2.68Å; E567-T623 HydrophobicContact CB-CG2 4.27Å; E567-T623 HydrophobicContact CG-CG2 3.49Å; E567-T623 VanDerWaalsContact CG-CG2 3.49Å; E567-W626 HydrophobicContact CG-CH2 4.14Å; E567-W626 HydrophobicContact CG-CZ2 3.89Å; E567-W626 WeakPolarHBondContact OE2-CH2 3.29Å |
| 568 | A | 94.5 | Very high | 95.6 | Very high | 39 Ų | 39 | 32.2 Ų | 32.2 | 32% | 0.322 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -71 | -8.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | M564 L565 K613 I617 | M564-A568 WeakPolarHBondContact O-CB 3.23Å; M564-A568 PolarHBondContact O-N 3.19Å; L565-A568 PolarHBondContact O-N 2.9Å; A568-K613 WeakPolarHBondContact O-CE 3.34Å; A568-K613 PolarHBondContact O-NZ 3.2Å; A568-I617 HydrophobicContact CB-CD1 3.85Å; A568-I617 HydrophobicContact CB-CG1 4.28Å |
| 569 | L | 95.4 | Very high | 95.6 | Very high | 4 Ų | 4 | 32.3 Ų | 32.3 | 2% | 0.021 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -100 | -17.9 | 173.5 | -83.4 | 169.4 | 0 | 0 | 0 | 113.2 | L565 K566 E567 E571 Y572 T573 Y583 V610 K613 | L565-L569 HydrophobicContact CD1-CD1 3.9Å; L565-L569 HydrophobicContact CD1-CG 4.25Å; L565-L569 HydrophobicContact CG-CD1 3.97Å; L565-L569 WeakPolarHBondContact O-CB 3.34Å; L565-L569 WeakPolarHBondContact O-CG 3.47Å; L565-L569 PolarHBondContact O-N 2.75Å; K566-L569 PolarHBondContact O-N 2.74Å; K566-L569 VanDerWaalsContact O-N 3.16Å; E567-L569 PolarHBondContact O-N 3.11Å; L569-E571 PolarHBondContact O-N 3.43Å; L569-Y572 PolarHBondContact O-N 3.3Å; L569-T573 HydrophobicContact CB-CG2 4.08Å; L569-T573 HydrophobicContact CD2-CG2 4.03Å; L569-T573 WeakPolarHBondContact O-CB 3.47Å; L569-T573 WeakPolarHBondContact O-CG2 3.5Å; L569-T573 PolarHBondContact O-N 3.47Å; L569-T573 PolarHBondContact O-OG1 2.93Å; L569-Y583 WeakPolarHBondContact CB-OH 3.47Å; L569-Y583 HydrophobicContact CD1-CE2 3.79Å; L569-V610 HydrophobicContact CD1-CB 4.5Å; L569-V610 HydrophobicContact CD1-CG1 4.05Å; L569-V610 HydrophobicContact CD1-CG2 4.22Å; L569-V610 HydrophobicContact CD2-CG2 4.26Å; L569-K613 HydrophobicContact CD2-CB 3.67Å; L569-K613 HydrophobicContact CD2-CG 3.75Å; L569-K613 HydrophobicContact CG-CB 4.18Å; L569-K613 HydrophobicContact CG-CG 3.88Å |
| 570 | N | 94.6 | Very high | 95.6 | Very high | 35 Ų | 35 | 30.4 Ų | 30.4 | 19% | 0.187 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -56.8 | -53.9 | -163.8 | -158.4 | 70.6 | 0 | 0 | 0 | 112.7 | E307 K566 E567 Y572 T573 Y574 | E307-N570 PolarHBondContact OE2-ND2 3.43Å; K566-N570 PolarHBondContact O-N 3.1Å; E567-N570 WeakPolarHBondContact O-CB 3.14Å; E567-N570 PolarHBondContact O-N 2.68Å; N570-Y572 VanDerWaalsContact C-N 3.26Å; N570-Y572 PolarHBondContact O-N 3.2Å; N570-T573 PolarHBondContact O-N 2.84Å; N570-T573 PolarHBondContact O-OG1 2.92Å; N570-Y574 WeakPolarHBondContact O-CB 3.35Å; N570-Y574 PolarHBondContact O-N 2.93Å |
| 571 | E | 92.7 | Very high | 95.6 | Very high | 82 Ų | 82 | 30.5 Ų | 30.5 | 38% | 0.383 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -58.7 | -33.7 | -177.6 | -60.5 | -169.9 | 152.5 | 0 | 0 | 114 | E307 S314 L569 | E307-E571 WeakPolarHBondContact O-CA 3.35Å; S314-E571 WeakPolarHBondContact CB-OE1 3.08Å; S314-E571 PolarHBondContact OG-OE1 3.28Å; L569-E571 PolarHBondContact O-N 3.43Å |
| 572 | Y | 91.8 | Very high | 95.5 | Very high | 91 Ų | 91 | 36.2 Ų | 36.2 | 36% | 0.357 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -81.5 | -40.8 | 179.2 | 179.3 | -93.6 | 0 | 0 | 0 | 112.1 | F496 L569 N570 L606 K609 | F496-Y572 HydrophobicContact CE2-CE1 4.11Å; F496-Y572 HydrophobicContact CE2-CE2 4.48Å; F496-Y572 AromaticContact CE2-CZ 3.98Å; F496-Y572 AromaticContact CZ-CE1 3.72Å; F496-Y572 HydrophobicContact CZ-CE1 3.72Å; F496-Y572 AromaticContact CZ-CZ 3.7Å; F496-Y572 WeakPolarHBondContact CZ-OH 3.3Å; L569-Y572 PolarHBondContact O-N 3.3Å; N570-Y572 VanDerWaalsContact C-N 3.26Å; N570-Y572 PolarHBondContact O-N 3.2Å; Y572-L606 HydrophobicContact CE1-CD1 4.45Å; Y572-K609 HydrophobicContact CD1-CB 4.43Å; Y572-K609 HydrophobicContact CD1-CG 3.88Å; Y572-K609 HydrophobicContact CE1-CB 3.68Å; Y572-K609 HydrophobicContact CE1-CG 3.43Å; Y572-K609 VanDerWaalsContact CE1-CG 3.43Å; Y572-K609 HydrophobicContact CE2-CG 4.34Å |
| 573 | T | 95 | Very high | 95.4 | Very high | 3 Ų | 3 | 37.6 Ų | 37.6 | 2% | 0.018 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -85.9 | -12.6 | -172 | 57 | 0 | 0 | 0 | 0 | 114 | L569 N570 A576 T577 Y583 L606 V610 | L569-T573 HydrophobicContact CB-CG2 4.08Å; L569-T573 HydrophobicContact CD2-CG2 4.03Å; L569-T573 WeakPolarHBondContact O-CB 3.47Å; L569-T573 WeakPolarHBondContact O-CG2 3.5Å; L569-T573 PolarHBondContact O-N 3.47Å; L569-T573 PolarHBondContact O-OG1 2.93Å; N570-T573 PolarHBondContact O-N 2.84Å; N570-T573 PolarHBondContact O-OG1 2.92Å; T573-A576 PolarHBondContact O-N 2.99Å; T573-T577 PolarHBondContact O-N 3.44Å; T573-T577 PolarHBondContact O-OG1 3.4Å; T573-Y583 VanDerWaalsContact CB-CE1 3.43Å; T573-Y583 HydrophobicContact CG2-CD1 4.14Å; T573-Y583 HydrophobicContact CG2-CE1 3.75Å; T573-Y583 WeakPolarHBondContact OG1-CE1 3.32Å; T573-L606 HydrophobicContact CG2-CD1 3.77Å; T573-V610 HydrophobicContact CG2-CG2 4.4Å |
| 574 | Y | 95.9 | Very high | 95.4 | Very high | 33 Ų | 33 | 37.2 Ų | 37.2 | 13% | 0.129 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.2 | -47.7 | 174.1 | -174.3 | -104.5 | 0 | 0 | 0 | 112.3 | G305 H306 E307 N570 A576 T577 L578 | G305-Y574 PolarHBondContact O-OH 3.29Å; G305-Y574 VanDerWaalsContact O-OH 3.14Å; H306-Y574 AromaticContact CD2-CE1 3.57Å; H306-Y574 AromaticContact CE1-CD1 3.9Å; H306-Y574 AromaticContact CG-CE1 3.93Å; H306-Y574 AromaticContact NE2-CD1 3.85Å; H306-Y574 AromaticContact NE2-CE1 3.62Å; E307-Y574 HydrophobicContact CB-CD1 4.23Å; E307-Y574 HydrophobicContact CB-CD2 3.48Å; E307-Y574 VanDerWaalsContact CB-CD2 3.48Å; E307-Y574 HydrophobicContact CB-CE1 4.48Å; E307-Y574 HydrophobicContact CB-CE2 3.77Å; E307-Y574 HydrophobicContact CB-CG 3.71Å; E307-Y574 HydrophobicContact CG-CD2 3.66Å; E307-Y574 HydrophobicContact CG-CE2 3.46Å; E307-Y574 VanDerWaalsContact CG-CE2 3.46Å; E307-Y574 HydrophobicContact CG-CG 4.36Å; E307-Y574 WeakPolarHBondContact OE1-CE2 3.17Å; N570-Y574 WeakPolarHBondContact O-CB 3.35Å; N570-Y574 PolarHBondContact O-N 2.93Å; Y574-A576 VanDerWaalsContact C-N 3.32Å; Y574-A576 PolarHBondContact O-N 3.48Å; Y574-T577 WeakPolarHBondContact O-CA 3.3Å; Y574-T577 WeakPolarHBondContact O-CB 3.27Å; Y574-T577 PolarHBondContact O-N 3.36Å; Y574-L578 HydrophobicContact CD1-CD1 3.96Å; Y574-L578 HydrophobicContact CD1-CG 4.26Å; Y574-L578 HydrophobicContact CE1-CD1 3.52Å; Y574-L578 HydrophobicContact CE1-CD2 4.36Å; Y574-L578 HydrophobicContact CE1-CG 3.96Å; Y574-L578 PolarHBondContact O-N 2.92Å |
| 575 | N | 94.9 | Very high | 95.4 | Very high | 26 Ų | 26 | 37 Ų | 37 | 14% | 0.139 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -60.6 | -40 | 178.2 | -78.3 | 19.1 | 0 | 0 | 0 | 112.2 | N494 F496 T577 L578 A579 | N494-N575 PolarHBondContact ND2-O 3.18Å; N494-N575 WeakPolarHBondContact OD1-CB 3.47Å; N494-N575 PolarHBondContact OD1-O 2.92Å; F496-N575 HydrophobicContact CD2-CB 4.16Å; N575-T577 VanDerWaalsContact C-N 3.33Å; N575-T577 PolarHBondContact O-N 2.61Å; N575-L578 PolarHBondContact O-N 2.94Å; N575-A579 WeakPolarHBondContact O-CB 3.42Å; N575-A579 PolarHBondContact O-N 3.44Å |
| 576 | A | 96.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.4 | -41.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | F496 T573 Y574 A579 G580 L581 L606 | F496-A576 HydrophobicContact CB-CB 4.28Å; F496-A576 HydrophobicContact CD1-CB 3.74Å; F496-A576 HydrophobicContact CD2-CB 3.84Å; F496-A576 HydrophobicContact CE1-CB 3.95Å; F496-A576 HydrophobicContact CE2-CB 4.03Å; F496-A576 HydrophobicContact CG-CB 3.68Å; F496-A576 HydrophobicContact CZ-CB 4.09Å; T573-A576 PolarHBondContact O-N 2.99Å; Y574-A576 VanDerWaalsContact C-N 3.32Å; Y574-A576 PolarHBondContact O-N 3.48Å; A576-A579 CarbonylContact O-C 3.57Å; A576-A579 PolarHBondContact O-N 2.86Å; A576-A579 VanDerWaalsContact O-N 3.16Å; A576-G580 PolarHBondContact O-N 3.43Å; A576-L581 CarbonylContact C-O 3.37Å; A576-L581 HydrophobicContact CB-CB 4.44Å; A576-L581 CarbonylContact O-C 3.57Å; A576-L581 WeakPolarHBondContact O-CA 3.46Å; A576-L581 PolarHBondContact O-N 2.99Å; A576-L606 HydrophobicContact CB-CD1 4.17Å; A576-L606 HydrophobicContact CB-CD2 4.09Å |
| 577 | T | 96.2 | Very high | 95.3 | Very high | 56 Ų | 56 | 38.5 Ų | 38.5 | 34% | 0.344 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -63.9 | -43.1 | 179.3 | -59.1 | 0 | 0 | 0 | 0 | 111.8 | T573 Y574 N575 A579 G580 L581 K582 | T573-T577 PolarHBondContact O-N 3.44Å; T573-T577 PolarHBondContact O-OG1 3.4Å; Y574-T577 WeakPolarHBondContact O-CA 3.3Å; Y574-T577 WeakPolarHBondContact O-CB 3.27Å; Y574-T577 PolarHBondContact O-N 3.36Å; N575-T577 VanDerWaalsContact C-N 3.33Å; N575-T577 PolarHBondContact O-N 2.61Å; T577-A579 VanDerWaalsContact C-N 3.32Å; T577-G580 PolarHBondContact O-N 3.13Å; T577-L581 PolarHBondContact N-O 2.9Å; T577-K582 HydrophobicContact CG2-CG 4.39Å |
| 578 | L | 95.1 | Very high | 95 | Very high | 57 Ų | 57 | 39.5 Ų | 39.5 | 30% | 0.298 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -61.4 | -38.8 | 171.9 | -68.7 | -178.1 | 0 | 0 | 0 | 112.2 | L383 Y574 N575 G580 | L383-L578 WeakPolarHBondContact CD2-O 3.27Å; Y574-L578 HydrophobicContact CD1-CD1 3.96Å; Y574-L578 HydrophobicContact CD1-CG 4.26Å; Y574-L578 HydrophobicContact CE1-CD1 3.52Å; Y574-L578 HydrophobicContact CE1-CD2 4.36Å; Y574-L578 HydrophobicContact CE1-CG 3.96Å; Y574-L578 PolarHBondContact O-N 2.92Å; N575-L578 PolarHBondContact O-N 2.94Å; L578-G580 PolarHBondContact O-N 3.23Å; L578-G580 VanDerWaalsContact O-N 3.12Å |
| 579 | A | 96.7 | Very high | 94.4 | Very high | 3 Ų | 3 | 40.4 Ų | 40.4 | 3% | 0.025 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | 10.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | F496 I497 N575 A576 T577 L581 F599 | F496-A579 VanDerWaalsContact C-CB 3.46Å; F496-A579 HydrophobicContact CB-CB 3.65Å; F496-A579 WeakPolarHBondContact O-CB 3.18Å; I497-A579 HydrophobicContact CG1-CB 4.31Å; N575-A579 WeakPolarHBondContact O-CB 3.42Å; N575-A579 PolarHBondContact O-N 3.44Å; A576-A579 CarbonylContact O-C 3.57Å; A576-A579 PolarHBondContact O-N 2.86Å; A576-A579 VanDerWaalsContact O-N 3.16Å; T577-A579 VanDerWaalsContact C-N 3.32Å; A579-L581 VanDerWaalsContact C-N 3.34Å; A579-L581 PolarHBondContact O-N 3.17Å; A579-F599 WeakPolarHBondContact O-CD2 3.41Å |
| 580 | G | 95.9 | Very high | 93.8 | Very high | 26 Ų | 26 | 42.2 Ų | 42.2 | 27% | 0.268 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.1 | 15.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | A576 T577 L578 G598 | A576-G580 PolarHBondContact O-N 3.43Å; T577-G580 PolarHBondContact O-N 3.13Å; L578-G580 PolarHBondContact O-N 3.23Å; L578-G580 VanDerWaalsContact O-N 3.12Å; G580-G598 VanDerWaalsContact O-CA 3.22Å; G580-G598 WeakPolarHBondContact O-CA 3.41Å |
| 581 | L | 96.3 | Very high | 93.7 | Very high | 3 Ų | 3 | 40.7 Ų | 40.7 | 2% | 0.016 | 21% | 0.211 | C | C | . | . | trans | -112.9 | 101.9 | 176.2 | -177.4 | 64.9 | 0 | 0 | 0 | 110.4 | F496 A576 T577 A579 V596 K602 M603 L606 | F496-L581 HydrophobicContact CD1-CD2 4.27Å; A576-L581 CarbonylContact C-O 3.37Å; A576-L581 HydrophobicContact CB-CB 4.44Å; A576-L581 CarbonylContact O-C 3.57Å; A576-L581 WeakPolarHBondContact O-CA 3.46Å; A576-L581 PolarHBondContact O-N 2.99Å; T577-L581 PolarHBondContact N-O 2.9Å; A579-L581 VanDerWaalsContact C-N 3.34Å; A579-L581 PolarHBondContact O-N 3.17Å; L581-V596 HydrophobicContact CD1-CG1 4.03Å; L581-K602 HydrophobicContact CD2-CB 4.03Å; L581-K602 WeakPolarHBondContact CD2-O 3.35Å; L581-M603 HydrophobicContact CD1-CB 4.34Å; L581-M603 HydrophobicContact CD1-CE 3.65Å; L581-M603 HydrophobicContact CD1-CG 4.39Å; L581-L606 HydrophobicContact CD1-CD2 4.5Å; L581-L606 HydrophobicContact CD2-CB 3.79Å; L581-L606 HydrophobicContact CD2-CD2 3.78Å; L581-L606 HydrophobicContact CD2-CG 4.44Å; L581-L606 HydrophobicContact CG-CD2 3.63Å | ||
| 582 | K | 95.7 | Very high | 93.8 | Very high | 121 Ų | 121 | 36.9 Ų | 36.9 | 53% | 0.526 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 145.2 | -171 | -55.3 | -174.5 | -179.7 | -177.1 | 0 | 110.7 | T577 V596 S597 | T577-K582 HydrophobicContact CG2-CG 4.39Å; K582-V596 CarbonylContact O-C 3.59Å; K582-V596 WeakPolarHBondContact O-CA 3.46Å; K582-S597 PolarHBondContact N-O 3.09Å; K582-S597 PolarHBondContact O-N 2.96Å |
| 583 | Y | 96 | Very high | 94 | Very high | 39 Ų | 39 | 33.5 Ų | 33.5 | 15% | 0.153 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 157.2 | 167.9 | 85.2 | -66.2 | 0 | 0 | 0 | 111.1 | L569 T573 I585 L594 N595 V610 | L569-Y583 WeakPolarHBondContact CB-OH 3.47Å; L569-Y583 HydrophobicContact CD1-CE2 3.79Å; T573-Y583 VanDerWaalsContact CB-CE1 3.43Å; T573-Y583 HydrophobicContact CG2-CD1 4.14Å; T573-Y583 HydrophobicContact CG2-CE1 3.75Å; T573-Y583 WeakPolarHBondContact OG1-CE1 3.32Å; Y583-I585 HydrophobicContact CE2-CG2 4.07Å; Y583-L594 HydrophobicContact CD2-CD1 4.47Å; Y583-N595 CarbonylContact C-O 3.53Å; Y583-N595 WeakPolarHBondContact CA-O 3.39Å; Y583-V610 HydrophobicContact CD2-CG1 4.23Å; Y583-V610 HydrophobicContact CD2-CG2 3.99Å; Y583-V610 HydrophobicContact CE2-CG2 4.38Å; Y583-V610 HydrophobicContact CG-CG2 4.3Å |
| 584 | S | 96.5 | Very high | 94.2 | Very high | 49 Ų | 49 | 33.4 Ų | 33.4 | 34% | 0.343 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 141.7 | 165.3 | 74.9 | 0 | 0 | 0 | 0 | 110.1 | L594 N595 | S584-L594 CarbonylContact O-C 3.58Å; S584-L594 WeakPolarHBondContact O-CA 3.42Å; S584-N595 PolarHBondContact N-O 2.87Å; S584-N595 PolarHBondContact O-N 3.34Å; S584-N595 PolarHBondContact OG-ND2 2.89Å |
| 585 | I | 96.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 134.7 | 173.9 | -174.5 | 153.5 | 0 | 0 | 0 | 109.9 | V562 L565 K566 Y583 L592 Q593 M614 | V562-I585 HydrophobicContact CG1-CG2 4.46Å; L565-I585 HydrophobicContact CD2-CD1 3.68Å; K566-I585 HydrophobicContact CD-CG2 4.44Å; K566-I585 WeakPolarHBondContact CE-O 3.36Å; K566-I585 HydrophobicContact CG-CG2 3.8Å; K566-I585 PolarHBondContact NZ-O 3.41Å; Y583-I585 HydrophobicContact CE2-CG2 4.07Å; I585-L592 HydrophobicContact CD1-CD1 4.08Å; I585-L592 HydrophobicContact CD1-CD2 4.38Å; I585-L592 HydrophobicContact CD1-CG 4.33Å; I585-L592 HydrophobicContact CG1-CD1 3.71Å; I585-L592 HydrophobicContact CG1-CG 4.37Å; I585-Q593 CarbonylContact C-O 3.6Å; I585-Q593 VanDerWaalsContact CA-O 3.26Å; I585-Q593 WeakPolarHBondContact CA-O 3.23Å; I585-M614 HydrophobicContact CD1-CE 4.22Å; I585-M614 HydrophobicContact CD1-CG 4.09Å; I585-M614 HydrophobicContact CD1-SD 3.76Å |
| 586 | F | 96.3 | Very high | 94.4 | Very high | 77 Ų | 77 | 31.5 Ų | 31.5 | 34% | 0.338 | 17% | 0.172 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.7 | 145.6 | 177.7 | 57 | -90.1 | 0 | 0 | 0 | 112.1 | T588 Q593 N595 | F586-T588 HydrophobicContact CD2-CG2 3.92Å; F586-T588 HydrophobicContact CE2-CG2 3.8Å; F586-Q593 HydrophobicContact CD2-CB 4.22Å; F586-Q593 HydrophobicContact CE1-CB 4.11Å; F586-Q593 HydrophobicContact CE2-CB 3.78Å; F586-Q593 HydrophobicContact CE2-CG 3.96Å; F586-Q593 HydrophobicContact CZ-CB 3.72Å; F586-Q593 HydrophobicContact CZ-CG 4.19Å; F586-Q593 PolarHBondContact N-O 2.77Å; F586-Q593 PolarHBondContact O-N 2.88Å; F586-N595 WeakPolarHBondContact CE1-ND2 3.32Å |
| 587 | A | 93.9 | Very high | 94.4 | Very high | 37 Ų | 37 | 33.5 Ų | 33.5 | 31% | 0.306 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 136.1 | 170 | 0 | 0 | 0 | 0 | 0 | 110.1 | L548 A558 V562 | L548-A587 HydrophobicContact CD2-CB 4.34Å; A558-A587 HydrophobicContact CB-CB 4.07Å; V562-A587 HydrophobicContact CG2-CB 4.21Å |
| 588 | T | 88.6 | Confident | 94.5 | Very high | 48 Ų | 48 | 31.3 Ų | 31.3 | 29% | 0.294 | 18% | 0.175 | S | C | . | . | trans | -106.6 | -177 | 162.2 | 77.5 | 0 | 0 | 0 | 0 | 108.8 | F586 Q590 T591 Q593 | F586-T588 HydrophobicContact CD2-CG2 3.92Å; F586-T588 HydrophobicContact CE2-CG2 3.8Å; T588-Q590 PolarHBondContact O-N 2.86Å; T588-Q590 PolarHBondContact OG1-N 2.85Å; T588-T591 PolarHBondContact N-O 3.13Å; T588-T591 PolarHBondContact OG1-N 2.73Å; T588-T591 PolarHBondContact OG1-O 3.25Å; T588-T591 PolarHBondContact OG1-OG1 2.85Å; T588-Q593 HydrophobicContact CG2-CG 4.48Å | ||
| 589 | Q | 81.7 | Confident | 94.6 | Very high | 59 Ų | 59 | 29.3 Ų | 29.3 | 28% | 0.276 | 16% | 0.164 | S | C | . | . | S | Bend | trans | -64.9 | -19.5 | 176.8 | -55.1 | -175.7 | -60.5 | 0 | 0 | 114.2 | S549 R658 F731 | S549-Q589 WeakPolarHBondContact CB-O 3.26Å; Q589-R658 PolarHBondContact NE2-O 3.09Å; Q589-F731 HydrophobicContact CB-CD1 4.47Å; Q589-F731 HydrophobicContact CB-CE1 3.63Å; Q589-F731 HydrophobicContact CB-CE2 4.34Å; Q589-F731 HydrophobicContact CB-CZ 3.56Å; Q589-F731 HydrophobicContact CG-CE1 4.22Å |
| 590 | Q | 81.7 | Confident | 94.6 | Very high | 41 Ų | 41 | 30.4 Ų | 30.4 | 19% | 0.192 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -120 | -24.2 | -176.7 | -71.3 | 171.1 | -50 | 0 | 0 | 113.5 | L548 T588 P729 F731 | L548-Q590 WeakPolarHBondContact CD1-O 3.4Å; T588-Q590 PolarHBondContact O-N 2.86Å; T588-Q590 PolarHBondContact OG1-N 2.85Å; Q590-P729 PolarHBondContact NE2-O 2.84Å; Q590-F731 HydrophobicContact CG-CD2 3.44Å; Q590-F731 VanDerWaalsContact CG-CD2 3.44Å; Q590-F731 HydrophobicContact CG-CE2 3.35Å; Q590-F731 HydrophobicContact CG-CG 4.44Å; Q590-F731 HydrophobicContact CG-CZ 4.29Å |
| 591 | T | 92.6 | Very high | 94.6 | Very high | 4 Ų | 4 | 31.2 Ų | 31.2 | 3% | 0.025 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 137.5 | -160.4 | 68.3 | 0 | 0 | 0 | 0 | 113.1 | M542 L543 R544 L548 T588 Q593 | M542-T591 HydrophobicContact CG-CG2 3.35Å; M542-T591 HydrophobicContact SD-CG2 3.67Å; L543-T591 CarbonylContact O-C 3.55Å; L543-T591 VanDerWaalsContact O-CA 3.29Å; L543-T591 WeakPolarHBondContact O-CA 3.48Å; R544-T591 HydrophobicContact CG-CG2 3.99Å; L548-T591 VanDerWaalsContact CD1-C 3.41Å; L548-T591 VanDerWaalsContact CD1-CA 3.47Å; T588-T591 PolarHBondContact N-O 3.13Å; T588-T591 PolarHBondContact OG1-N 2.73Å; T588-T591 PolarHBondContact OG1-O 3.25Å; T588-T591 PolarHBondContact OG1-OG1 2.85Å; T591-Q593 WeakPolarHBondContact OG1-CG 3.15Å; T591-Q593 PolarHBondContact OG1-NE2 2.91Å |
| 592 | L | 96 | Very high | 94.6 | Very high | 2 Ų | 2 | 33.8 Ų | 33.8 | 1% | 0.01 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 111 | 159.9 | 178.2 | 61.8 | 0 | 0 | 0 | 107.2 | L543 L548 Y561 V562 I585 M614 L684 F685 | L543-L592 HydrophobicContact CB-CB 4.28Å; L543-L592 WeakPolarHBondContact CB-O 3.09Å; L543-L592 HydrophobicContact CD1-CD2 4.38Å; L543-L592 PolarHBondContact N-O 2.76Å; L543-L592 PolarHBondContact O-N 3.16Å; L548-L592 HydrophobicContact CD1-CB 4.39Å; L548-L592 VanDerWaalsContact CD1-N 3.32Å; L548-L592 HydrophobicContact CD2-CB 4.2Å; Y561-L592 HydrophobicContact CE1-CD2 4.11Å; V562-L592 HydrophobicContact CG2-CD1 3.58Å; I585-L592 HydrophobicContact CD1-CD1 4.08Å; I585-L592 HydrophobicContact CD1-CD2 4.38Å; I585-L592 HydrophobicContact CD1-CG 4.33Å; I585-L592 HydrophobicContact CG1-CD1 3.71Å; I585-L592 HydrophobicContact CG1-CG 4.37Å; L592-M614 HydrophobicContact CD2-CE 3.96Å; L592-L684 HydrophobicContact CD2-CD2 4.06Å; L592-F685 HydrophobicContact CD2-CZ 4.47Å |
| 593 | Q | 96.7 | Very high | 94.6 | Very high | 19 Ų | 19 | 28.1 Ų | 28.1 | 9% | 0.089 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 134.1 | 177.8 | -61.5 | -163.4 | 16.6 | 0 | 0 | 110.6 | V541 I585 F586 T588 T591 | V541-Q593 CarbonylContact O-C 3.47Å; V541-Q593 VanDerWaalsContact O-CA 3.27Å; V541-Q593 WeakPolarHBondContact O-CA 3.39Å; I585-Q593 CarbonylContact C-O 3.6Å; I585-Q593 VanDerWaalsContact CA-O 3.26Å; I585-Q593 WeakPolarHBondContact CA-O 3.23Å; F586-Q593 HydrophobicContact CD2-CB 4.22Å; F586-Q593 HydrophobicContact CE1-CB 4.11Å; F586-Q593 HydrophobicContact CE2-CB 3.78Å; F586-Q593 HydrophobicContact CE2-CG 3.96Å; F586-Q593 HydrophobicContact CZ-CB 3.72Å; F586-Q593 HydrophobicContact CZ-CG 4.19Å; F586-Q593 PolarHBondContact N-O 2.77Å; F586-Q593 PolarHBondContact O-N 2.88Å; T588-Q593 HydrophobicContact CG2-CG 4.48Å; T591-Q593 WeakPolarHBondContact OG1-CG 3.15Å; T591-Q593 PolarHBondContact OG1-NE2 2.91Å |
| 594 | L | 97.7 | Very high | 94.6 | Very high | 2 Ų | 2 | 28.6 Ų | 28.6 | 1% | 0.01 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 123.5 | 170.8 | 168.6 | 60.6 | 0 | 0 | 0 | 107.8 | V541 Y583 S584 V596 L607 V610 V611 M614 | V541-L594 HydrophobicContact CB-CB 4.33Å; V541-L594 WeakPolarHBondContact CB-O 3.26Å; V541-L594 PolarHBondContact N-O 3.33Å; V541-L594 PolarHBondContact O-N 2.89Å; Y583-L594 HydrophobicContact CD2-CD1 4.47Å; S584-L594 CarbonylContact O-C 3.58Å; S584-L594 WeakPolarHBondContact O-CA 3.42Å; L594-V596 HydrophobicContact CD1-CG2 4.3Å; L594-L607 HydrophobicContact CD2-CD1 3.9Å; L594-V610 HydrophobicContact CD1-CG1 3.69Å; L594-V610 HydrophobicContact CD2-CG1 4.12Å; L594-V611 HydrophobicContact CD2-CG2 3.88Å; L594-M614 HydrophobicContact CD2-SD 4.19Å |
| 595 | N | 97.4 | Very high | 94.5 | Very high | 18 Ų | 18 | 29.6 Ų | 29.6 | 10% | 0.096 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 137.6 | 173 | -51.8 | -88.1 | 0 | 0 | 0 | 109 | V539 Q540 Y583 S584 F586 | V539-N595 CarbonylContact O-C 3.52Å; V539-N595 VanDerWaalsContact O-CA 3.32Å; V539-N595 WeakPolarHBondContact O-CA 3.18Å; Q540-N595 WeakPolarHBondContact CB-OD1 3.29Å; Q540-N595 WeakPolarHBondContact CG-OD1 3.45Å; Q540-N595 PolarHBondContact NE2-OD1 3.41Å; Y583-N595 CarbonylContact C-O 3.53Å; Y583-N595 WeakPolarHBondContact CA-O 3.39Å; S584-N595 PolarHBondContact N-O 2.87Å; S584-N595 PolarHBondContact O-N 3.34Å; S584-N595 PolarHBondContact OG-ND2 2.89Å; F586-N595 WeakPolarHBondContact CE1-ND2 3.32Å |
| 596 | V | 97.8 | Very high | 94.5 | Very high | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.006 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 131.6 | 169.5 | -175.5 | 0 | 0 | 0 | 0 | 107.7 | V539 L581 K582 L594 M603 L606 L607 | V539-V596 PolarHBondContact N-O 2.88Å; V539-V596 PolarHBondContact O-N 3.06Å; L581-V596 HydrophobicContact CD1-CG1 4.03Å; K582-V596 CarbonylContact O-C 3.59Å; K582-V596 WeakPolarHBondContact O-CA 3.46Å; L594-V596 HydrophobicContact CD1-CG2 4.3Å; V596-M603 HydrophobicContact CG1-CE 4.39Å; V596-M603 HydrophobicContact CG1-CG 3.87Å; V596-L606 HydrophobicContact CG1-CD2 4.06Å; V596-L607 HydrophobicContact CG2-CD1 3.97Å |
| 597 | S | 97.4 | Very high | 94.5 | Very high | 42 Ų | 42 | 26 Ų | 26 | 29% | 0.294 | 15% | 0.149 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 137.7 | -174.7 | 60.9 | 0 | 0 | 0 | 0 | 111.8 | C537 K582 | C537-S597 WeakPolarHBondContact O-CA 3.29Å; K582-S597 PolarHBondContact N-O 3.09Å; K582-S597 PolarHBondContact O-N 2.96Å |
| 598 | G | 97.4 | Very high | 94.6 | Very high | 10 Ų | 10 | 27.1 Ų | 27.1 | 10% | 0.103 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 144.1 | -155.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | K536 C537 G580 M603 | K536-G598 CarbonylContact C-O 3.59Å; K536-G598 WeakPolarHBondContact CA-O 3.37Å; C537-G598 PolarHBondContact N-O 3.01Å; C537-G598 PolarHBondContact O-N 3.16Å; C537-G598 VanDerWaalsContact O-N 3.12Å; G580-G598 VanDerWaalsContact O-CA 3.22Å; G580-G598 WeakPolarHBondContact O-CA 3.41Å; G598-M603 WeakPolarHBondContact O-CE 3.35Å |
| 599 | F | 97.5 | Very high | 94.9 | Very high | 15 Ų | 15 | 28.9 Ų | 28.9 | 7% | 0.066 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 132.8 | -180 | -64.7 | -75.9 | 0 | 0 | 0 | 112.3 | I386 F390 P498 F501 P535 K536 A579 E601 | I386-F599 HydrophobicContact CG2-CE1 4.19Å; I386-F599 HydrophobicContact CG2-CE2 3.75Å; I386-F599 HydrophobicContact CG2-CZ 3.43Å; I386-F599 VanDerWaalsContact CG2-CZ 3.43Å; F390-F599 HydrophobicContact CB-CE1 3.81Å; F390-F599 HydrophobicContact CB-CZ 4.06Å; F390-F599 AromaticContact CD2-CE1 3.73Å; F390-F599 HydrophobicContact CD2-CE1 3.73Å; F390-F599 HydrophobicContact CD2-CZ 4.16Å; F390-F599 AromaticContact CG-CE1 3.97Å; F390-F599 HydrophobicContact CG-CE1 3.97Å; P498-F599 HydrophobicContact CB-CB 4.06Å; P498-F599 HydrophobicContact CB-CG 4.18Å; P498-F599 HydrophobicContact CG-CB 4.17Å; P498-F599 HydrophobicContact CG-CD1 4.35Å; P498-F599 HydrophobicContact CG-CD2 3.75Å; P498-F599 HydrophobicContact CG-CE2 4.19Å; P498-F599 HydrophobicContact CG-CG 3.83Å; F501-F599 HydrophobicContact CD1-CD1 4.2Å; F501-F599 HydrophobicContact CD1-CE1 4.25Å; F501-F599 HydrophobicContact CE1-CD1 4.03Å; F501-F599 AromaticContact CE1-CE1 3.98Å; F501-F599 HydrophobicContact CE1-CE1 3.98Å; P535-F599 HydrophobicContact CG-CD1 4.11Å; P535-F599 HydrophobicContact CG-CE1 4.13Å; P535-F599 WeakPolarHBondContact O-CA 3.3Å; P535-F599 WeakPolarHBondContact O-CD1 3.38Å; K536-F599 HydrophobicContact CG-CD1 4.34Å; A579-F599 WeakPolarHBondContact O-CD2 3.41Å; F599-E601 PolarHBondContact O-N 3.05Å |
| 600 | N | 96.3 | Very high | 95.6 | Very high | 25 Ų | 25 | 26 Ų | 26 | 13% | 0.134 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -74.4 | -22.4 | -169.4 | 66 | -77.3 | 0 | 0 | 0 | 114.3 | P535 C537 K602 M603 N697 | P535-N600 PolarHBondContact O-N 3.03Å; P535-N600 PolarHBondContact O-OD1 3.04Å; P535-N600 VanDerWaalsContact O-OD1 3.04Å; C537-N600 HydrophobicContact CB-CB 3.96Å; N600-K602 PolarHBondContact O-N 2.68Å; N600-M603 WeakPolarHBondContact O-CB 3.36Å; N600-M603 PolarHBondContact O-N 2.87Å; N600-N697 PolarHBondContact ND2-O 2.78Å; N600-N697 PolarHBondContact OD1-ND2 3.38Å |
| 601 | E | 96.3 | Very high | 96.3 | Very high | 44 Ų | 44 | 24.2 Ų | 24.2 | 21% | 0.206 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -47.4 | -174.1 | -168.4 | -158.5 | 144.1 | 0 | 0 | 113.9 | T499 K500 F599 | T499-E601 PolarHBondContact N-OE2 3.04Å; T499-E601 PolarHBondContact OG1-OE1 3.3Å; T499-E601 PolarHBondContact OG1-OE2 2.84Å; T499-E601 VanDerWaalsContact OG1-OE2 3.1Å; K500-E601 HydrophobicContact CB-CG 4.19Å; K500-E601 PolarHBondContact N-OE2 3.35Å; F599-E601 PolarHBondContact O-N 3.05Å |
| 602 | K | 96.1 | Very high | 96.4 | Very high | 57 Ų | 57 | 26.9 Ų | 26.9 | 25% | 0.248 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | 8.6 | -175.8 | -54.2 | -60.2 | -170.1 | -165 | 0 | 113.2 | F496 L581 N600 S604 V605 L606 | F496-K602 HydrophobicContact CD1-CB 3.92Å; F496-K602 HydrophobicContact CD1-CG 4.45Å; F496-K602 HydrophobicContact CE1-CB 4.44Å; L581-K602 HydrophobicContact CD2-CB 4.03Å; L581-K602 WeakPolarHBondContact CD2-O 3.35Å; N600-K602 PolarHBondContact O-N 2.68Å; K602-S604 PolarHBondContact O-N 2.84Å; K602-V605 PolarHBondContact O-N 3.02Å; K602-L606 PolarHBondContact O-N 3.25Å |
| 603 | M | 95.8 | Very high | 96.4 | Very high | 2 Ų | 2 | 30.1 Ų | 30.1 | 1% | 0.01 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -65.8 | -41.5 | -170.6 | -172.2 | 162.9 | -73.6 | 0 | 0 | 113.3 | C537 V539 L581 V596 G598 N600 V605 L606 L607 | C537-M603 HydrophobicContact CB-CE 3.96Å; C537-M603 HydrophobicContact CB-SD 3.72Å; C537-M603 VanDerWaalsContact O-CE 3.26Å; C537-M603 WeakPolarHBondContact O-CE 3.29Å; V539-M603 HydrophobicContact CG2-CG 4.43Å; V539-M603 HydrophobicContact CG2-SD 3.65Å; L581-M603 HydrophobicContact CD1-CB 4.34Å; L581-M603 HydrophobicContact CD1-CE 3.65Å; L581-M603 HydrophobicContact CD1-CG 4.39Å; V596-M603 HydrophobicContact CG1-CE 4.39Å; V596-M603 HydrophobicContact CG1-CG 3.87Å; G598-M603 WeakPolarHBondContact O-CE 3.35Å; N600-M603 WeakPolarHBondContact O-CB 3.36Å; N600-M603 PolarHBondContact O-N 2.87Å; M603-V605 VanDerWaalsContact C-N 3.35Å; M603-L606 PolarHBondContact O-N 3.36Å; M603-L607 VanDerWaalsContact O-CB 3.27Å; M603-L607 WeakPolarHBondContact O-CB 3.35Å; M603-L607 PolarHBondContact O-N 3.46Å |
| 604 | S | 95.6 | Very high | 96.4 | Very high | 49 Ų | 49 | 29.3 Ų | 29.3 | 34% | 0.343 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -61.1 | -42.2 | 175.8 | 49.2 | 0 | 0 | 0 | 0 | 112.1 | K602 L607 E608 | K602-S604 PolarHBondContact O-N 2.84Å; S604-L607 PolarHBondContact O-N 3.04Å; S604-E608 WeakPolarHBondContact O-CB 3.47Å; S604-E608 PolarHBondContact O-N 3.09Å |
| 605 | V | 95.8 | Very high | 96.2 | Very high | 70 Ų | 70 | 29.5 Ų | 29.5 | 42% | 0.424 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -62.5 | -45.8 | 179.5 | -176.6 | 0 | 0 | 0 | 0 | 111.2 | K602 M603 K609 | K602-V605 PolarHBondContact O-N 3.02Å; M603-V605 VanDerWaalsContact C-N 3.35Å; V605-K609 WeakPolarHBondContact O-CB 3.28Å; V605-K609 PolarHBondContact O-N 3.24Å; V605-K609 VanDerWaalsContact O-N 3.12Å |
| 606 | L | 96.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -66.2 | -43.4 | 175.7 | -178.4 | 62.5 | 0 | 0 | 0 | 111.6 | F496 Y572 T573 A576 L581 V596 K602 M603 K609 V610 | F496-L606 HydrophobicContact CE1-CB 4.21Å; Y572-L606 HydrophobicContact CE1-CD1 4.45Å; T573-L606 HydrophobicContact CG2-CD1 3.77Å; A576-L606 HydrophobicContact CB-CD1 4.17Å; A576-L606 HydrophobicContact CB-CD2 4.09Å; L581-L606 HydrophobicContact CD1-CD2 4.5Å; L581-L606 HydrophobicContact CD2-CB 3.79Å; L581-L606 HydrophobicContact CD2-CD2 3.78Å; L581-L606 HydrophobicContact CD2-CG 4.44Å; L581-L606 HydrophobicContact CG-CD2 3.63Å; V596-L606 HydrophobicContact CG1-CD2 4.06Å; K602-L606 PolarHBondContact O-N 3.25Å; M603-L606 PolarHBondContact O-N 3.36Å; L606-K609 PolarHBondContact O-N 3.19Å; L606-V610 HydrophobicContact CD1-CG2 4.07Å; L606-V610 HydrophobicContact CG-CG2 4.36Å; L606-V610 WeakPolarHBondContact O-CG2 3.28Å; L606-V610 PolarHBondContact O-N 2.73Å |
| 607 | L | 96.5 | Very high | 95.9 | Very high | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.6 | -49 | -179.5 | -179.6 | 63.2 | 0 | 0 | 0 | 111.6 | V539 L594 V596 M603 S604 K609 V610 V611 L706 I710 | V539-L607 HydrophobicContact CG1-CD2 4.34Å; L594-L607 HydrophobicContact CD2-CD1 3.9Å; V596-L607 HydrophobicContact CG2-CD1 3.97Å; M603-L607 VanDerWaalsContact O-CB 3.27Å; M603-L607 WeakPolarHBondContact O-CB 3.35Å; M603-L607 PolarHBondContact O-N 3.46Å; S604-L607 PolarHBondContact O-N 3.04Å; L607-K609 VanDerWaalsContact C-N 3.31Å; L607-K609 PolarHBondContact O-N 3.17Å; L607-V610 PolarHBondContact O-N 2.97Å; L607-V611 HydrophobicContact CD1-CG2 4.38Å; L607-V611 WeakPolarHBondContact O-CG2 3.15Å; L607-V611 PolarHBondContact O-N 3.25Å; L607-V611 VanDerWaalsContact O-N 3.09Å; L607-L706 HydrophobicContact CD2-CB 4.23Å; L607-L706 HydrophobicContact CD2-CD2 3.95Å; L607-L706 WeakPolarHBondContact CD2-O 3.48Å; L607-I710 HydrophobicContact CD1-CD1 4.1Å; L607-I710 HydrophobicContact CD1-CG1 4.24Å; L607-I710 HydrophobicContact CD2-CD1 4.24Å; L607-I710 HydrophobicContact CD2-CG1 4.15Å; L607-I710 HydrophobicContact CG-CD1 4.5Å; L607-I710 HydrophobicContact CG-CG1 4.25Å |
| 608 | E | 95.5 | Very high | 95.8 | Very high | 61 Ų | 61 | 38.7 Ų | 38.7 | 29% | 0.285 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -55.8 | -48.6 | 174.5 | -172.6 | 160.3 | -146.7 | 0 | 0 | 110.1 | S604 V610 V611 E612 L709 V713 R716 | S604-E608 WeakPolarHBondContact O-CB 3.47Å; S604-E608 PolarHBondContact O-N 3.09Å; E608-V610 PolarHBondContact O-N 2.96Å; E608-V611 PolarHBondContact O-N 3.34Å; E608-E612 HydrophobicContact CG-CG 4.25Å; E608-E612 WeakPolarHBondContact O-CB 3.36Å; E608-E612 WeakPolarHBondContact O-CG 3.33Å; E608-E612 PolarHBondContact O-N 2.8Å; E608-L709 HydrophobicContact CB-CD2 4.08Å; E608-L709 HydrophobicContact CB-CG 4.44Å; E608-L709 HydrophobicContact CG-CD1 4.3Å; E608-V713 HydrophobicContact CG-CG2 4.1Å; E608-R716 IonicContact OE1-NH1 3.12Å; E608-R716 PolarHBondContact OE1-NH1 3.09Å |
| 609 | K | 94.8 | Very high | 95.6 | Very high | 84 Ų | 84 | 39.1 Ų | 39.1 | 37% | 0.365 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -66.7 | -36.4 | -175.2 | -159.2 | 55.5 | 164.1 | -174.4 | 0 | 114 | Y572 V605 L606 L607 E612 K613 | Y572-K609 HydrophobicContact CD1-CB 4.43Å; Y572-K609 HydrophobicContact CD1-CG 3.88Å; Y572-K609 HydrophobicContact CE1-CB 3.68Å; Y572-K609 HydrophobicContact CE1-CG 3.43Å; Y572-K609 VanDerWaalsContact CE1-CG 3.43Å; Y572-K609 HydrophobicContact CE2-CG 4.34Å; V605-K609 WeakPolarHBondContact O-CB 3.28Å; V605-K609 PolarHBondContact O-N 3.24Å; V605-K609 VanDerWaalsContact O-N 3.12Å; L606-K609 PolarHBondContact O-N 3.19Å; L607-K609 VanDerWaalsContact C-N 3.31Å; L607-K609 PolarHBondContact O-N 3.17Å; K609-E612 WeakPolarHBondContact CD-OE2 3.29Å; K609-E612 IonicContact NZ-OE2 3.27Å; K609-E612 PolarHBondContact NZ-OE2 2.76Å; K609-K613 WeakPolarHBondContact O-CB 3.47Å; K609-K613 PolarHBondContact O-N 2.96Å |
| 610 | V | 96.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -65.6 | -44.6 | 175 | 172.3 | 0 | 0 | 0 | 0 | 110.6 | L569 T573 Y583 L594 L606 L607 E608 K613 M614 | L569-V610 HydrophobicContact CD1-CB 4.5Å; L569-V610 HydrophobicContact CD1-CG1 4.05Å; L569-V610 HydrophobicContact CD1-CG2 4.22Å; L569-V610 HydrophobicContact CD2-CG2 4.26Å; T573-V610 HydrophobicContact CG2-CG2 4.4Å; Y583-V610 HydrophobicContact CD2-CG1 4.23Å; Y583-V610 HydrophobicContact CD2-CG2 3.99Å; Y583-V610 HydrophobicContact CE2-CG2 4.38Å; Y583-V610 HydrophobicContact CG-CG2 4.3Å; L594-V610 HydrophobicContact CD1-CG1 3.69Å; L594-V610 HydrophobicContact CD2-CG1 4.12Å; L606-V610 HydrophobicContact CD1-CG2 4.07Å; L606-V610 HydrophobicContact CG-CG2 4.36Å; L606-V610 WeakPolarHBondContact O-CG2 3.28Å; L606-V610 PolarHBondContact O-N 2.73Å; L607-V610 PolarHBondContact O-N 2.97Å; E608-V610 PolarHBondContact O-N 2.96Å; V610-K613 PolarHBondContact O-N 3.2Å; V610-M614 HydrophobicContact CG1-SD 4.18Å; V610-M614 VanDerWaalsContact O-CG 3.29Å; V610-M614 WeakPolarHBondContact O-CG 3.39Å; V610-M614 PolarHBondContact O-N 3.07Å |
| 611 | V | 95.9 | Very high | 95.2 | Very high | 2 Ų | 2 | 43.3 Ų | 43.3 | 1% | 0.012 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -69.8 | -40.4 | 179.1 | -179.5 | 0 | 0 | 0 | 0 | 111.8 | L594 L607 E608 K613 M614 L615 I710 V713 I714 | L594-V611 HydrophobicContact CD2-CG2 3.88Å; L607-V611 HydrophobicContact CD1-CG2 4.38Å; L607-V611 WeakPolarHBondContact O-CG2 3.15Å; L607-V611 PolarHBondContact O-N 3.25Å; L607-V611 VanDerWaalsContact O-N 3.09Å; E608-V611 PolarHBondContact O-N 3.34Å; V611-K613 VanDerWaalsContact C-N 3.3Å; V611-K613 PolarHBondContact O-N 3.38Å; V611-M614 HydrophobicContact CG2-SD 4.34Å; V611-M614 WeakPolarHBondContact O-CB 3.45Å; V611-M614 PolarHBondContact O-N 3.17Å; V611-L615 HydrophobicContact CG1-CD1 4.19Å; V611-L615 WeakPolarHBondContact O-CD1 3.41Å; V611-L615 PolarHBondContact O-N 3.11Å; V611-I710 HydrophobicContact CG1-CG2 4.13Å; V611-I710 HydrophobicContact CG2-CG1 4.25Å; V611-I710 HydrophobicContact CG2-CG2 4.04Å; V611-V713 HydrophobicContact CB-CG1 4.31Å; V611-V713 HydrophobicContact CG1-CB 3.96Å; V611-V713 HydrophobicContact CG1-CG1 3.79Å; V611-I714 HydrophobicContact CG1-CG1 4.3Å |
| 612 | E | 95.6 | Very high | 95 | Very high | 61 Ų | 61 | 46.8 Ų | 46.8 | 29% | 0.285 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -54.6 | -47.9 | 170.2 | -79.3 | -168 | 153.4 | 0 | 0 | 110.8 | E608 K609 L615 S616 V713 | E608-E612 HydrophobicContact CG-CG 4.25Å; E608-E612 WeakPolarHBondContact O-CB 3.36Å; E608-E612 WeakPolarHBondContact O-CG 3.33Å; E608-E612 PolarHBondContact O-N 2.8Å; K609-E612 WeakPolarHBondContact CD-OE2 3.29Å; K609-E612 IonicContact NZ-OE2 3.27Å; K609-E612 PolarHBondContact NZ-OE2 2.76Å; E612-L615 PolarHBondContact O-N 3.3Å; E612-S616 VanDerWaalsContact O-CB 3.27Å; E612-S616 WeakPolarHBondContact O-CB 3.36Å; E612-S616 PolarHBondContact O-N 3.28Å; E612-S616 PolarHBondContact O-OG 3.36Å; E612-V713 HydrophobicContact CB-CG1 4.46Å; E612-V713 HydrophobicContact CG-CG1 3.9Å |
| 613 | K | 95.9 | Very high | 94.8 | Very high | 70 Ų | 70 | 45.1 Ų | 45.1 | 30% | 0.304 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -68.3 | -35.1 | -178 | -165.9 | 71.9 | 175.3 | -148.4 | 0 | 112.2 | L565 A568 L569 K609 V610 V611 L615 S616 I617 | L565-K613 HydrophobicContact CD1-CB 4.24Å; L565-K613 HydrophobicContact CD1-CG 3.87Å; A568-K613 WeakPolarHBondContact O-CE 3.34Å; A568-K613 PolarHBondContact O-NZ 3.2Å; L569-K613 HydrophobicContact CD2-CB 3.67Å; L569-K613 HydrophobicContact CD2-CG 3.75Å; L569-K613 HydrophobicContact CG-CB 4.18Å; L569-K613 HydrophobicContact CG-CG 3.88Å; K609-K613 WeakPolarHBondContact O-CB 3.47Å; K609-K613 PolarHBondContact O-N 2.96Å; V610-K613 PolarHBondContact O-N 3.2Å; V611-K613 VanDerWaalsContact C-N 3.3Å; V611-K613 PolarHBondContact O-N 3.38Å; K613-L615 PolarHBondContact O-N 3.05Å; K613-S616 PolarHBondContact O-N 3.21Å; K613-I617 WeakPolarHBondContact O-CA 3.36Å; K613-I617 VanDerWaalsContact O-CB 3.26Å; K613-I617 WeakPolarHBondContact O-CB 3.32Å; K613-I617 PolarHBondContact O-N 2.76Å |
| 614 | M | 95.6 | Very high | 94.8 | Very high | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -52.9 | -41.8 | 172.9 | -76.4 | 161.9 | 62.6 | 0 | 0 | 112.2 | L543 Y561 L565 I585 L592 L594 V610 V611 F685 | L543-M614 HydrophobicContact CD1-CE 3.61Å; Y561-M614 VanDerWaalsContact OH-CA 3.32Å; Y561-M614 WeakPolarHBondContact OH-CA 3.41Å; Y561-M614 WeakPolarHBondContact OH-CB 3.17Å; Y561-M614 PolarHBondContact OH-O 2.88Å; L565-M614 HydrophobicContact CD1-CG 4.32Å; L565-M614 HydrophobicContact CD2-CB 4.3Å; L565-M614 HydrophobicContact CD2-CG 3.39Å; L565-M614 HydrophobicContact CG-CG 4.46Å; I585-M614 HydrophobicContact CD1-CE 4.22Å; I585-M614 HydrophobicContact CD1-CG 4.09Å; I585-M614 HydrophobicContact CD1-SD 3.76Å; L592-M614 HydrophobicContact CD2-CE 3.96Å; L594-M614 HydrophobicContact CD2-SD 4.19Å; V610-M614 HydrophobicContact CG1-SD 4.18Å; V610-M614 VanDerWaalsContact O-CG 3.29Å; V610-M614 WeakPolarHBondContact O-CG 3.39Å; V610-M614 PolarHBondContact O-N 3.07Å; V611-M614 HydrophobicContact CG2-SD 4.34Å; V611-M614 WeakPolarHBondContact O-CB 3.45Å; V611-M614 PolarHBondContact O-N 3.17Å; M614-F685 HydrophobicContact CB-CZ 3.99Å; M614-F685 HydrophobicContact CE-CE1 3.83Å; M614-F685 HydrophobicContact CE-CZ 3.82Å |
| 615 | L | 94 | Very high | 94.7 | Very high | 6 Ų | 6 | 47.8 Ų | 47.8 | 3% | 0.031 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -87.3 | -36 | -176.4 | -63.7 | 152 | 0 | 0 | 0 | 112.6 | V611 E612 K613 F685 V713 I714 N717 R718 | V611-L615 HydrophobicContact CG1-CD1 4.19Å; V611-L615 WeakPolarHBondContact O-CD1 3.41Å; V611-L615 PolarHBondContact O-N 3.11Å; E612-L615 PolarHBondContact O-N 3.3Å; K613-L615 PolarHBondContact O-N 3.05Å; L615-F685 HydrophobicContact CD2-CB 4.21Å; L615-F685 HydrophobicContact CD2-CD1 3.97Å; L615-F685 HydrophobicContact CD2-CD2 3.99Å; L615-F685 HydrophobicContact CD2-CE1 4.42Å; L615-F685 HydrophobicContact CD2-CE2 4.42Å; L615-F685 HydrophobicContact CD2-CG 3.79Å; L615-V713 HydrophobicContact CD1-CG1 3.91Å; L615-V713 WeakPolarHBondContact CD1-O 3.28Å; L615-I714 HydrophobicContact CD1-CB 4.41Å; L615-I714 HydrophobicContact CD1-CG1 3.98Å; L615-I714 HydrophobicContact CD2-CG1 4.4Å; L615-N717 HydrophobicContact CB-CB 4.12Å; L615-N717 HydrophobicContact CD1-CB 4.16Å; L615-R718 HydrophobicContact CD2-CG 4.03Å |
| 616 | S | 94.4 | Very high | 94.5 | Very high | 67 Ų | 67 | 45.1 Ų | 45.1 | 47% | 0.469 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -98 | -2.1 | -172.7 | 66.1 | 0 | 0 | 0 | 0 | 115.3 | E612 K613 K618 | E612-S616 VanDerWaalsContact O-CB 3.27Å; E612-S616 WeakPolarHBondContact O-CB 3.36Å; E612-S616 PolarHBondContact O-N 3.28Å; E612-S616 PolarHBondContact O-OG 3.36Å; K613-S616 PolarHBondContact O-N 3.21Å; S616-K618 PolarHBondContact O-N 3.16Å |
| 617 | I | 95.1 | Very high | 94.4 | Very high | 3 Ų | 3 | 45.2 Ų | 45.2 | 2% | 0.015 | 23% | 0.227 | C | C | . | . | trans | -50.9 | 133.8 | 179.5 | -177.5 | 164.4 | 0 | 0 | 0 | 111.6 | Y561 M564 L565 A568 K613 F619 K681 | Y561-I617 HydrophobicContact CE2-CG2 4.14Å; M564-I617 HydrophobicContact CB-CD1 4.39Å; L565-I617 HydrophobicContact CB-CD1 4.14Å; L565-I617 HydrophobicContact CD1-CD1 4.19Å; A568-I617 HydrophobicContact CB-CD1 3.85Å; A568-I617 HydrophobicContact CB-CG1 4.28Å; K613-I617 WeakPolarHBondContact O-CA 3.36Å; K613-I617 VanDerWaalsContact O-CB 3.26Å; K613-I617 WeakPolarHBondContact O-CB 3.32Å; K613-I617 PolarHBondContact O-N 2.76Å; I617-F619 HydrophobicContact CD1-CD1 3.99Å; I617-F619 HydrophobicContact CD1-CE1 3.78Å; I617-F619 HydrophobicContact CG1-CD1 4.16Å; I617-F619 HydrophobicContact CG1-CE1 4.07Å; I617-F619 HydrophobicContact CG2-CE1 4.02Å; I617-F619 HydrophobicContact CG2-CZ 3.85Å; I617-K681 HydrophobicContact CG2-CD 3.58Å; I617-K681 PolarHBondContact O-NZ 2.71Å | ||
| 618 | K | 94 | Very high | 94.4 | Very high | 184 Ų | 184 | 47.4 Ų | 47.4 | 80% | 0.8 | 24% | 0.236 | S | C | * | . | trans | -106.1 | 125.6 | 164.4 | -62.6 | -178.8 | 178.2 | -178 | 0 | 106.5 | S616 | S616-K618 PolarHBondContact O-N 3.16Š| ||
| 619 | F | 94.8 | Very high | 94.3 | Very high | 20 Ų | 20 | 46 Ų | 46 | 9% | 0.088 | 23% | 0.23 | C | C | . | . | trans | -79.5 | 124.4 | 178.1 | -53.1 | -73.5 | 0 | 0 | 0 | 109.3 | Y561 M564 I617 L674 L677 E678 K681 | Y561-F619 HydrophobicContact CD2-CE1 4.11Å; Y561-F619 AromaticContact CD2-CZ 3.86Å; Y561-F619 HydrophobicContact CD2-CZ 3.86Å; Y561-F619 HydrophobicContact CE2-CZ 4.28Å; M564-F619 HydrophobicContact CB-CD1 3.78Å; M564-F619 HydrophobicContact CB-CE1 4.04Å; M564-F619 HydrophobicContact CE-CB 4.09Å; M564-F619 HydrophobicContact CE-CD1 4.24Å; M564-F619 HydrophobicContact CG-CD1 4.11Å; I617-F619 HydrophobicContact CD1-CD1 3.99Å; I617-F619 HydrophobicContact CD1-CE1 3.78Å; I617-F619 HydrophobicContact CG1-CD1 4.16Å; I617-F619 HydrophobicContact CG1-CE1 4.07Å; I617-F619 HydrophobicContact CG2-CE1 4.02Å; I617-F619 HydrophobicContact CG2-CZ 3.85Å; F619-L674 HydrophobicContact CB-CD1 3.58Å; F619-L674 HydrophobicContact CB-CG 4.24Å; F619-L677 HydrophobicContact CD1-CB 4.32Å; F619-L677 HydrophobicContact CD1-CD1 4.06Å; F619-L677 HydrophobicContact CD2-CB 3.91Å; F619-L677 HydrophobicContact CE1-CB 4.09Å; F619-L677 HydrophobicContact CE1-CD1 4.23Å; F619-L677 HydrophobicContact CE2-CB 3.67Å; F619-L677 WeakPolarHBondContact CE2-O 3.47Å; F619-L677 HydrophobicContact CG-CB 4.25Å; F619-L677 HydrophobicContact CG-CD1 4.41Å; F619-L677 HydrophobicContact CZ-CB 3.77Å; F619-E678 HydrophobicContact CD2-CG 3.9Å; F619-E678 WeakPolarHBondContact CD2-OE1 3.35Å; F619-E678 HydrophobicContact CE2-CG 4.11Å; F619-E678 WeakPolarHBondContact CE2-OE1 3.46Å; F619-K681 HydrophobicContact CE2-CD 4.28Å; F619-K681 HydrophobicContact CZ-CB 4.42Å; F619-K681 HydrophobicContact CZ-CD 4.2Å | ||
| 620 | D | 92.2 | Very high | 94.2 | Very high | 78 Ų | 78 | 45.1 Ų | 45.1 | 42% | 0.417 | 22% | 0.224 | S | C | . | . | trans | -82.8 | 133.9 | 170.9 | 168.7 | 65.2 | 0 | 0 | 0 | 109.8 | M564 K622 T623 F624 | M564-D620 WeakPolarHBondContact CE-O 3.48Å; D620-K622 PolarHBondContact OD2-N 3.19Å; D620-T623 PolarHBondContact O-N 3.3Å; D620-T623 VanDerWaalsContact OD2-CB 3.27Å; D620-T623 WeakPolarHBondContact OD2-CB 3.31Å; D620-T623 PolarHBondContact OD2-N 3.47Å; D620-T623 PolarHBondContact OD2-OG1 3.38Å; D620-F624 WeakPolarHBondContact O-CB 3.45Å; D620-F624 PolarHBondContact O-N 2.95Å | ||
| 621 | A | 93 | Very high | 94.2 | Very high | 49 Ų | 49 | 46 Ų | 46 | 41% | 0.405 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -65 | -46.7 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | T623 F624 D625 L674 | A621-T623 VanDerWaalsContact C-N 3.27Å; A621-T623 PolarHBondContact O-N 3.43Å; A621-F624 WeakPolarHBondContact O-CB 3.32Å; A621-F624 PolarHBondContact O-N 2.6Å; A621-F624 VanDerWaalsContact O-N 3.12Å; A621-D625 VanDerWaalsContact O-CG 3.23Å; A621-D625 PolarHBondContact O-N 2.93Å; A621-L674 HydrophobicContact CB-CD2 4.4Å |
| 622 | K | 90.3 | Very high | 94.3 | Very high | 117 Ų | 117 | 46.5 Ų | 46.5 | 51% | 0.509 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -60.1 | -41.1 | 178.5 | -63.5 | -175.8 | 176.6 | -170.1 | 0 | 111.6 | D620 D625 W626 | D620-K622 PolarHBondContact OD2-N 3.19Å; K622-D625 PolarHBondContact O-N 3.43Å; K622-W626 PolarHBondContact O-N 3.25Å |
| 623 | T | 92.5 | Very high | 94.2 | Very high | 23 Ų | 23 | 44.1 Ų | 44.1 | 14% | 0.141 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -65.3 | -40 | 178.1 | -56.5 | 0 | 0 | 0 | 0 | 111.4 | M564 E567 D620 A621 W626 A627 | M564-T623 HydrophobicContact CE-CG2 3.86Å; M564-T623 HydrophobicContact SD-CG2 3.89Å; E567-T623 HydrophobicContact CB-CG2 4.27Å; E567-T623 HydrophobicContact CG-CG2 3.49Å; E567-T623 VanDerWaalsContact CG-CG2 3.49Å; D620-T623 PolarHBondContact O-N 3.3Å; D620-T623 VanDerWaalsContact OD2-CB 3.27Å; D620-T623 WeakPolarHBondContact OD2-CB 3.31Å; D620-T623 PolarHBondContact OD2-N 3.47Å; D620-T623 PolarHBondContact OD2-OG1 3.38Å; A621-T623 VanDerWaalsContact C-N 3.27Å; A621-T623 PolarHBondContact O-N 3.43Å; T623-W626 HydrophobicContact CG2-CZ2 4.01Å; T623-A627 WeakPolarHBondContact O-CB 3.41Å; T623-A627 PolarHBondContact O-N 2.97Å |
| 624 | F | 95.5 | Very high | 94.1 | Very high | 7 Ų | 7 | 46.4 Ų | 46.4 | 3% | 0.031 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63 | -46.4 | 173.6 | 173.2 | -96.2 | 0 | 0 | 0 | 112 | M560 M564 D620 A621 W626 A627 K628 I672 L674 L677 | M560-F624 HydrophobicContact CE-CD2 4.1Å; M560-F624 HydrophobicContact CE-CE2 4.13Å; M564-F624 HydrophobicContact CE-CB 3.87Å; M564-F624 VanDerWaalsContact SD-CA 3.59Å; M564-F624 HydrophobicContact SD-CB 4.15Å; D620-F624 WeakPolarHBondContact O-CB 3.45Å; D620-F624 PolarHBondContact O-N 2.95Å; A621-F624 WeakPolarHBondContact O-CB 3.32Å; A621-F624 PolarHBondContact O-N 2.6Å; A621-F624 VanDerWaalsContact O-N 3.12Å; F624-W626 PolarHBondContact O-N 2.88Å; F624-A627 PolarHBondContact O-N 3.05Å; F624-K628 HydrophobicContact CE1-CD 3.98Å; F624-K628 HydrophobicContact CZ-CD 4.06Å; F624-K628 VanDerWaalsContact O-CB 3.23Å; F624-K628 WeakPolarHBondContact O-CB 3.38Å; F624-K628 PolarHBondContact O-N 3.23Å; F624-I672 HydrophobicContact CZ-CG1 4.48Å; F624-I672 HydrophobicContact CZ-CG2 4.3Å; F624-L674 HydrophobicContact CB-CD1 3.42Å; F624-L674 VanDerWaalsContact CB-CD1 3.42Å; F624-L674 HydrophobicContact CD1-CB 4.39Å; F624-L674 HydrophobicContact CD1-CD1 4.11Å; F624-L674 HydrophobicContact CD2-CD1 3.92Å; F624-L674 HydrophobicContact CG-CD1 3.55Å; F624-L677 HydrophobicContact CD2-CD1 3.62Å; F624-L677 HydrophobicContact CD2-CG 4.46Å; F624-L677 HydrophobicContact CE2-CD1 3.74Å; F624-L677 HydrophobicContact CE2-CG 4.15Å |
| 625 | D | 93.6 | Very high | 94.2 | Very high | 99 Ų | 99 | 46.8 Ų | 46.8 | 53% | 0.529 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -58.9 | -52.1 | -176.6 | -65.5 | -29.4 | 0 | 0 | 0 | 111.7 | A621 K622 K628 E629 | A621-D625 VanDerWaalsContact O-CG 3.23Å; A621-D625 PolarHBondContact O-N 2.93Å; K622-D625 PolarHBondContact O-N 3.43Å; D625-K628 PolarHBondContact O-N 2.87Å; D625-E629 WeakPolarHBondContact O-CB 3.39Å; D625-E629 PolarHBondContact O-N 2.93Å |
| 626 | W | 91.3 | Very high | 94.3 | Very high | 15 Ų | 15 | 52.4 Ų | 52.4 | 6% | 0.057 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -71.9 | -31 | 178.6 | 74.2 | -111 | 0 | 0 | 0 | 112.9 | S323 T346 E567 K622 T623 F624 R630 | S323-W626 VanDerWaalsContact CB-CZ3 3.41Å; T346-W626 HydrophobicContact CG2-CB 3.6Å; T346-W626 HydrophobicContact CG2-CD2 4.22Å; T346-W626 HydrophobicContact CG2-CG 3.73Å; E567-W626 HydrophobicContact CG-CH2 4.14Å; E567-W626 HydrophobicContact CG-CZ2 3.89Å; E567-W626 WeakPolarHBondContact OE2-CH2 3.29Å; K622-W626 PolarHBondContact O-N 3.25Å; T623-W626 HydrophobicContact CG2-CZ2 4.01Å; F624-W626 PolarHBondContact O-N 2.88Å; W626-R630 VanDerWaalsContact O-CB 3.28Å; W626-R630 WeakPolarHBondContact O-CB 3.43Å; W626-R630 PolarHBondContact O-N 2.85Å |
| 627 | A | 94.4 | Very high | 94.3 | Very high | 2 Ų | 2 | 49.9 Ų | 49.9 | 2% | 0.017 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -67.9 | -38 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | M560 K563 M564 T623 F624 Y631 | M560-A627 HydrophobicContact CE-CB 3.97Å; K563-A627 HydrophobicContact CG-CB 4.12Å; M564-A627 HydrophobicContact SD-CB 4.1Å; T623-A627 WeakPolarHBondContact O-CB 3.41Å; T623-A627 PolarHBondContact O-N 2.97Å; F624-A627 PolarHBondContact O-N 3.05Å; A627-Y631 WeakPolarHBondContact O-CB 3.48Å; A627-Y631 PolarHBondContact O-N 2.88Å |
| 628 | K | 96.4 | Very high | 94.3 | Very high | 46 Ų | 46 | 51.3 Ų | 51.3 | 20% | 0.2 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -65.6 | -50.6 | 174.8 | 177.6 | -176.9 | 173.7 | 178.4 | 0 | 110.3 | M560 F624 D625 R630 Y631 V632 A669 T670 I672 | M560-K628 HydrophobicContact CE-CB 3.98Å; F624-K628 HydrophobicContact CE1-CD 3.98Å; F624-K628 HydrophobicContact CZ-CD 4.06Å; F624-K628 VanDerWaalsContact O-CB 3.23Å; F624-K628 WeakPolarHBondContact O-CB 3.38Å; F624-K628 PolarHBondContact O-N 3.23Å; D625-K628 PolarHBondContact O-N 2.87Å; K628-R630 VanDerWaalsContact C-N 3.32Å; K628-R630 PolarHBondContact O-N 2.64Å; K628-Y631 PolarHBondContact O-N 2.83Å; K628-Y631 VanDerWaalsContact O-N 3.14Å; K628-V632 HydrophobicContact CG-CG2 4.48Å; K628-V632 WeakPolarHBondContact O-CB 3.35Å; K628-V632 WeakPolarHBondContact O-CG2 3.32Å; K628-V632 PolarHBondContact O-N 2.85Å; K628-A669 WeakPolarHBondContact CE-O 3.39Å; K628-T670 WeakPolarHBondContact CE-O 3.3Å; K628-T670 PolarHBondContact NZ-O 2.91Å; K628-I672 HydrophobicContact CD-CG2 4.04Å; K628-I672 WeakPolarHBondContact CE-O 3.5Å; K628-I672 HydrophobicContact CG-CG2 4.24Å; K628-I672 PolarHBondContact NZ-O 3.36Å |
| 629 | E | 94.4 | Very high | 94.3 | Very high | 32 Ų | 32 | 47.5 Ų | 47.5 | 15% | 0.15 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -50.2 | -53.4 | 173.9 | -174.6 | -70.2 | 136.4 | 0 | 0 | 110.7 | R277 E347 D625 Y631 V632 R633 | R277-E629 IonicContact CZ-OE1 3.92Å; R277-E629 VanDerWaalsContact CZ-OE1 3.28Å; R277-E629 IonicContact CZ-OE2 3.53Å; R277-E629 IonicContact NH1-OE1 2.69Å; R277-E629 PolarHBondContact NH1-OE1 2.97Å; R277-E629 IonicContact NH1-OE2 3.56Å; R277-E629 PolarHBondContact NH1-OE2 2.89Å; R277-E629 IonicContact NH2-OE1 2.62Å; R277-E629 PolarHBondContact NH2-OE1 2.88Å; E347-E629 HydrophobicContact CG-CG 4.37Å; D625-E629 WeakPolarHBondContact O-CB 3.39Å; D625-E629 PolarHBondContact O-N 2.93Å; E629-Y631 VanDerWaalsContact C-N 3.32Å; E629-Y631 PolarHBondContact O-N 2.95Å; E629-V632 PolarHBondContact O-N 2.96Å; E629-R633 VanDerWaalsContact O-CB 3.29Å; E629-R633 WeakPolarHBondContact O-CB 3.49Å; E629-R633 PolarHBondContact O-N 3.04Å; E629-R633 VanDerWaalsContact OE1-CD 3.28Å; E629-R633 WeakPolarHBondContact OE1-CD 3.36Å; E629-R633 IonicContact OE1-CZ 3.5Å; E629-R633 IonicContact OE1-NE 3.47Å; E629-R633 PolarHBondContact OE1-NE 3.14Å; E629-R633 IonicContact OE1-NH2 2.76Å; E629-R633 IonicContact OE2-CZ 2.72Å; E629-R633 IonicContact OE2-NE 3.7Å; E629-R633 PolarHBondContact OE2-NE 2.79Å; E629-R633 VanDerWaalsContact OE2-NE 3.16Å; E629-R633 IonicContact OE2-NH2 2.81Å; E629-R633 PolarHBondContact OE2-NH2 2.95Å |
| 630 | R | 93.4 | Very high | 94.2 | Very high | 66 Ų | 66 | 48.5 Ų | 48.5 | 25% | 0.249 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -58.6 | -42.3 | 179.9 | -174 | -169.4 | -173.6 | 78.8 | 7.1 | 112.3 | S323 D344 W626 K628 R633 Q634 | S323-R630 PolarHBondContact OG-NH1 2.86Å; D344-R630 IonicContact OD1-CZ 3.98Å; D344-R630 IonicContact OD1-NH1 3.95Å; D344-R630 PolarHBondContact OD1-NH1 3.38Å; D344-R630 IonicContact OD1-NH2 3.61Å; D344-R630 IonicContact OD2-CZ 2.71Å; D344-R630 IonicContact OD2-NH1 3.25Å; D344-R630 PolarHBondContact OD2-NH1 2.81Å; D344-R630 IonicContact OD2-NH2 3.83Å; D344-R630 PolarHBondContact OD2-NH2 2.98Å; W626-R630 VanDerWaalsContact O-CB 3.28Å; W626-R630 WeakPolarHBondContact O-CB 3.43Å; W626-R630 PolarHBondContact O-N 2.85Å; K628-R630 VanDerWaalsContact C-N 3.32Å; K628-R630 PolarHBondContact O-N 2.64Å; R630-R633 PolarHBondContact O-N 2.72Å; R630-Q634 WeakPolarHBondContact O-CB 3.44Å; R630-Q634 PolarHBondContact O-N 2.77Å |
| 631 | Y | 95.9 | Very high | 94.2 | Very high | 18 Ų | 18 | 47 Ų | 47 | 7% | 0.071 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -70.4 | -43.7 | -179.3 | -179.1 | -131.3 | 0 | 0 | 0 | 112 | V556 H559 M560 A627 K628 E629 R633 Q634 L635 A669 | V556-Y631 HydrophobicContact CG1-CE1 4.24Å; V556-Y631 HydrophobicContact CG2-CE1 4.25Å; H559-Y631 HydrophobicContact CB-CE1 4.31Å; H559-Y631 AromaticContact CD2-CD1 3.93Å; H559-Y631 AromaticContact CD2-CD2 3.53Å; H559-Y631 AromaticContact CD2-CE1 3.93Å; H559-Y631 AromaticContact CD2-CE2 3.54Å; H559-Y631 AromaticContact CD2-CG 3.74Å; H559-Y631 AromaticContact CD2-CZ 3.74Å; H559-Y631 AromaticContact CE1-CD2 3.94Å; H559-Y631 AromaticContact CE1-CE2 3.69Å; H559-Y631 AromaticContact CG-CE2 3.77Å; H559-Y631 AromaticContact CG-CZ 3.71Å; H559-Y631 AromaticContact ND1-CE2 3.85Å; H559-Y631 AromaticContact NE2-CD2 3.35Å; H559-Y631 WeakPolarHBondContact NE2-CD2 3.44Å; H559-Y631 AromaticContact NE2-CE2 3.53Å; H559-Y631 AromaticContact NE2-CG 3.93Å; M560-Y631 HydrophobicContact CG-CD1 4.34Å; M560-Y631 HydrophobicContact SD-CD1 3.93Å; M560-Y631 HydrophobicContact SD-CG 4.28Å; A627-Y631 WeakPolarHBondContact O-CB 3.48Å; A627-Y631 PolarHBondContact O-N 2.88Å; K628-Y631 PolarHBondContact O-N 2.83Å; K628-Y631 VanDerWaalsContact O-N 3.14Å; E629-Y631 VanDerWaalsContact C-N 3.32Å; E629-Y631 PolarHBondContact O-N 2.95Å; Y631-R633 VanDerWaalsContact C-N 3.29Å; Y631-R633 PolarHBondContact O-N 3.14Å; Y631-Q634 WeakPolarHBondContact O-CB 3.29Å; Y631-Q634 PolarHBondContact O-N 3.02Å; Y631-L635 HydrophobicContact CD1-CD1 4.26Å; Y631-L635 HydrophobicContact CD2-CD1 4.42Å; Y631-L635 HydrophobicContact CD2-CG 4.28Å; Y631-L635 HydrophobicContact CE1-CD1 3.85Å; Y631-L635 HydrophobicContact CE2-CD1 4.02Å; Y631-L635 HydrophobicContact CE2-CD2 4.07Å; Y631-L635 HydrophobicContact CE2-CG 3.92Å; Y631-L635 WeakPolarHBondContact O-CG 3.37Å; Y631-L635 PolarHBondContact O-N 2.68Å; Y631-A669 HydrophobicContact CD1-CB 3.89Å; Y631-A669 HydrophobicContact CE1-CB 3.89Å |
| 632 | V | 97 | Very high | 94.1 | Very high | 12 Ų | 12 | 45.2 Ų | 45.2 | 7% | 0.073 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -55.6 | -45.8 | 172 | 165.5 | 0 | 0 | 0 | 0 | 110.7 | K628 E629 L635 R636 L666 A669 | K628-V632 HydrophobicContact CG-CG2 4.48Å; K628-V632 WeakPolarHBondContact O-CB 3.35Å; K628-V632 WeakPolarHBondContact O-CG2 3.32Å; K628-V632 PolarHBondContact O-N 2.85Å; E629-V632 PolarHBondContact O-N 2.96Å; V632-L635 PolarHBondContact O-N 2.76Å; V632-R636 VanDerWaalsContact CG1-CZ 3.47Å; V632-R636 WeakPolarHBondContact O-CG 3.39Å; V632-R636 PolarHBondContact O-N 2.79Å; V632-L666 HydrophobicContact CB-CD1 4.42Å; V632-L666 HydrophobicContact CG1-CD1 3.81Å; V632-A669 HydrophobicContact CG2-CB 3.97Å; V632-A669 VanDerWaalsContact CG2-O 3.27Å; V632-A669 WeakPolarHBondContact CG2-O 3.08Å |
| 633 | R | 94.2 | Very high | 94.1 | Very high | 11 Ų | 11 | 39.6 Ų | 39.6 | 4% | 0.042 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -66.3 | -40 | 176.6 | -175.1 | 162.8 | 49.2 | 96.6 | -7.1 | 112.9 | D275 R277 E629 R630 Y631 L635 R636 N637 | D275-R633 HydrophobicContact CB-CG 3.77Å; D275-R633 WeakPolarHBondContact O-CD 3.37Å; D275-R633 WeakPolarHBondContact O-CG 3.21Å; D275-R633 PolarHBondContact O-NH1 3.14Å; D275-R633 WeakPolarHBondContact OD2-CD 3.26Å; D275-R633 WeakPolarHBondContact OD2-CG 3.36Å; R277-R633 VanDerWaalsContact NH1-CZ 3.27Å; E629-R633 VanDerWaalsContact O-CB 3.29Å; E629-R633 WeakPolarHBondContact O-CB 3.49Å; E629-R633 PolarHBondContact O-N 3.04Å; E629-R633 VanDerWaalsContact OE1-CD 3.28Å; E629-R633 WeakPolarHBondContact OE1-CD 3.36Å; E629-R633 IonicContact OE1-CZ 3.5Å; E629-R633 IonicContact OE1-NE 3.47Å; E629-R633 PolarHBondContact OE1-NE 3.14Å; E629-R633 IonicContact OE1-NH2 2.76Å; E629-R633 IonicContact OE2-CZ 2.72Å; E629-R633 IonicContact OE2-NE 3.7Å; E629-R633 PolarHBondContact OE2-NE 2.79Å; E629-R633 VanDerWaalsContact OE2-NE 3.16Å; E629-R633 IonicContact OE2-NH2 2.81Å; E629-R633 PolarHBondContact OE2-NH2 2.95Å; R630-R633 PolarHBondContact O-N 2.72Å; Y631-R633 VanDerWaalsContact C-N 3.29Å; Y631-R633 PolarHBondContact O-N 3.14Å; R633-L635 VanDerWaalsContact C-N 3.31Å; R633-L635 PolarHBondContact O-N 3.21Å; R633-R636 PolarHBondContact O-N 2.96Å; R633-N637 WeakPolarHBondContact O-CB 3.29Å; R633-N637 VanDerWaalsContact O-CG 3.24Å; R633-N637 PolarHBondContact O-N 3.48Å |
| 634 | Q | 94.9 | Very high | 94 | Very high | 118 Ų | 118 | 43.4 Ų | 43.4 | 55% | 0.551 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -61.1 | -39.2 | 172.8 | -173.5 | -178 | 13.4 | 0 | 0 | 112.1 | R630 Y631 F638 | R630-Q634 WeakPolarHBondContact O-CB 3.44Å; R630-Q634 PolarHBondContact O-N 2.77Å; Y631-Q634 WeakPolarHBondContact O-CB 3.29Å; Y631-Q634 PolarHBondContact O-N 3.02Å; Q634-F638 PolarHBondContact O-N 3.12Å |
| 635 | L | 96.9 | Very high | 93.8 | Very high | 10 Ų | 10 | 46 Ų | 46 | 5% | 0.052 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -68.1 | -36.6 | 176.4 | -69.6 | 171.7 | 0 | 0 | 0 | 112.3 | Y631 V632 R633 F638 K662 L665 L666 A669 | Y631-L635 HydrophobicContact CD1-CD1 4.26Å; Y631-L635 HydrophobicContact CD2-CD1 4.42Å; Y631-L635 HydrophobicContact CD2-CG 4.28Å; Y631-L635 HydrophobicContact CE1-CD1 3.85Å; Y631-L635 HydrophobicContact CE2-CD1 4.02Å; Y631-L635 HydrophobicContact CE2-CD2 4.07Å; Y631-L635 HydrophobicContact CE2-CG 3.92Å; Y631-L635 WeakPolarHBondContact O-CG 3.37Å; Y631-L635 PolarHBondContact O-N 2.68Å; V632-L635 PolarHBondContact O-N 2.76Å; R633-L635 VanDerWaalsContact C-N 3.31Å; R633-L635 PolarHBondContact O-N 3.21Å; L635-F638 WeakPolarHBondContact O-CB 3.31Å; L635-K662 HydrophobicContact CD2-CD 3.79Å; L635-L665 HydrophobicContact CD1-CB 4.06Å; L635-L665 HydrophobicContact CD2-CB 4.2Å; L635-L666 HydrophobicContact CB-CB 4.22Å; L635-L666 HydrophobicContact CB-CD1 4.1Å; L635-L666 HydrophobicContact CD1-CB 4.3Å; L635-A669 HydrophobicContact CD1-CB 3.93Å |
| 636 | R | 96 | Very high | 93.9 | Very high | 124 Ų | 124 | 41.6 Ų | 41.6 | 47% | 0.468 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -67.8 | -46.1 | 172.7 | -68.4 | 171.4 | -174.6 | 165.9 | 3 | 112.1 | V632 R633 F638 E639 L666 | V632-R636 VanDerWaalsContact CG1-CZ 3.47Å; V632-R636 WeakPolarHBondContact O-CG 3.39Å; V632-R636 PolarHBondContact O-N 2.79Å; R633-R636 PolarHBondContact O-N 2.96Å; R636-F638 PolarHBondContact O-N 2.97Å; R636-E639 PolarHBondContact O-N 3.07Å; R636-L666 HydrophobicContact CG-CD1 3.92Å; R636-L666 HydrophobicContact CG-CD2 3.9Å |
| 637 | N | 95.5 | Very high | 94.1 | Very high | 13 Ų | 13 | 40.9 Ų | 40.9 | 7% | 0.07 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.3 | -16.4 | 179.1 | -74.4 | -14.1 | 0 | 0 | 0 | 113.3 | K274 D275 R633 E639 M640 | K274-N637 HydrophobicContact CG-CB 4.49Å; D275-N637 VanDerWaalsContact CB-OD1 3.3Å; D275-N637 WeakPolarHBondContact CB-OD1 3.4Å; D275-N637 PolarHBondContact N-OD1 2.9Å; D275-N637 PolarHBondContact O-ND2 3.47Å; R633-N637 WeakPolarHBondContact O-CB 3.29Å; R633-N637 VanDerWaalsContact O-CG 3.24Å; R633-N637 PolarHBondContact O-N 3.48Å; N637-E639 PolarHBondContact O-N 2.89Å; N637-M640 HydrophobicContact CB-SD 4.43Å; N637-M640 WeakPolarHBondContact O-CB 3.46Å; N637-M640 PolarHBondContact O-N 3.23Å; N637-M640 PolarHBondContact OD1-SD 3.04Å |
| 638 | F | 94.8 | Very high | 94 | Very high | 34 Ų | 34 | 41.9 Ų | 41.9 | 15% | 0.149 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -55.7 | -32.9 | 170.8 | -173.1 | -100.6 | 0 | 0 | 0 | 112.8 | Q634 L635 R636 M640 E641 H646 Y649 K662 | Q634-F638 PolarHBondContact O-N 3.12Å; L635-F638 WeakPolarHBondContact O-CB 3.31Å; R636-F638 PolarHBondContact O-N 2.97Å; F638-M640 PolarHBondContact O-N 2.9Å; F638-E641 HydrophobicContact CD2-CG 4.12Å; F638-E641 WeakPolarHBondContact O-CB 3.12Å; F638-E641 PolarHBondContact O-N 3.35Å; F638-H646 AromaticContact CE1-CD2 3.83Å; F638-H646 AromaticContact CZ-CD2 3.79Å; F638-H646 PolarHBondContact O-NE2 3.21Å; F638-Y649 AromaticContact CE1-CD1 3.54Å; F638-Y649 HydrophobicContact CE1-CD1 3.54Å; F638-Y649 HydrophobicContact CE1-CD2 4.47Å; F638-Y649 AromaticContact CE1-CE1 3.84Å; F638-Y649 HydrophobicContact CE1-CE1 3.84Å; F638-Y649 AromaticContact CE1-CG 3.88Å; F638-Y649 HydrophobicContact CE1-CG 3.88Å; F638-Y649 HydrophobicContact CE2-CG 4.46Å; F638-Y649 AromaticContact CZ-CD1 3.63Å; F638-Y649 HydrophobicContact CZ-CD1 3.63Å; F638-Y649 HydrophobicContact CZ-CD2 4.14Å; F638-Y649 HydrophobicContact CZ-CE1 4.33Å; F638-Y649 AromaticContact CZ-CG 3.5Å; F638-Y649 HydrophobicContact CZ-CG 3.5Å; F638-Y649 VanDerWaalsContact CZ-CG 3.5Å; F638-K662 HydrophobicContact CB-CG 4.39Å; F638-K662 HydrophobicContact CD1-CB 4.42Å; F638-K662 HydrophobicContact CD1-CG 3.72Å; F638-K662 HydrophobicContact CE1-CG 4.17Å; F638-K662 HydrophobicContact CG-CD 4.38Å; F638-K662 HydrophobicContact CG-CG 3.95Å |
| 639 | E | 92.7 | Very high | 94 | Very high | 103 Ų | 103 | 40.5 Ų | 40.5 | 48% | 0.481 | 18% | 0.181 | S | C | . | . | G | 310 helix | trans | -64.5 | -17.6 | 176.1 | -63.6 | -161.4 | 173.5 | 0 | 0 | 113.6 | R636 N637 H646 | R636-E639 PolarHBondContact O-N 3.07Å; N637-E639 PolarHBondContact O-N 2.89Å; E639-H646 PolarHBondContact O-CE1 3.17Å |
| 640 | M | 93.4 | Very high | 94.2 | Very high | 42 Ų | 42 | 40.6 Ų | 40.6 | 21% | 0.207 | 18% | 0.18 | C | C | . | . | G | 310 helix | trans | -99.7 | -1.1 | 179.6 | -60.7 | 139.9 | 171.8 | 0 | 0 | 113.3 | K274 N637 F638 V750 H751 | K274-M640 HydrophobicContact CB-SD 4.39Å; K274-M640 HydrophobicContact CG-CB 3.9Å; K274-M640 HydrophobicContact CG-SD 4.2Å; N637-M640 HydrophobicContact CB-SD 4.43Å; N637-M640 WeakPolarHBondContact O-CB 3.46Å; N637-M640 PolarHBondContact O-N 3.23Å; N637-M640 PolarHBondContact OD1-SD 3.04Å; F638-M640 PolarHBondContact O-N 2.9Å; M640-V750 HydrophobicContact CB-CG1 4.39Å; M640-V750 HydrophobicContact CB-CG2 4.27Å; M640-V750 HydrophobicContact CG-CG1 4.49Å; M640-V750 HydrophobicContact CG-CG2 3.82Å; M640-H751 PolarHBondContact O-NE2 3.38Å |
| 641 | E | 92.9 | Very high | 94.3 | Very high | 46 Ų | 46 | 37.5 Ų | 37.5 | 22% | 0.215 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -69.9 | 164.7 | 172.4 | -60.9 | -60.1 | 166.3 | 0 | 0 | 111.6 | K274 F638 Q645 H646 N748 H751 | K274-E641 WeakPolarHBondContact CE-OE1 3.41Å; K274-E641 IonicContact NZ-OE1 3.68Å; K274-E641 PolarHBondContact NZ-OE1 3.47Å; K274-E641 VanDerWaalsContact NZ-OE1 3.09Å; K274-E641 IonicContact NZ-OE2 3.42Å; K274-E641 PolarHBondContact NZ-OE2 3.07Å; F638-E641 HydrophobicContact CD2-CG 4.12Å; F638-E641 WeakPolarHBondContact O-CB 3.12Å; F638-E641 PolarHBondContact O-N 3.35Å; E641-Q645 HydrophobicContact CB-CB 4.46Å; E641-Q645 PolarHBondContact OE2-OE1 2.82Å; E641-H646 PolarHBondContact O-NE2 2.97Å; E641-N748 PolarHBondContact O-ND2 3.32Å; E641-H751 PolarHBondContact O-CD2 2.92Å; E641-H751 VanDerWaalsContact O-CD2 3.31Å; E641-H751 PolarHBondContact O-NE2 3.41Å |
| 642 | Q | 89.4 | Confident | 94.3 | Very high | 11 Ų | 11 | 38.5 Ų | 38.5 | 5% | 0.051 | 18% | 0.179 | C | C | . | . | trans | -65.3 | 144.4 | -173.7 | -64.9 | -76.7 | -17.7 | 0 | 0 | 111.8 | N158 E162 Y644 Q645 H646 H751 | N158-Q642 PolarHBondContact O-NE2 2.97Å; E162-Q642 PolarHBondContact OE1-NE2 2.76Å; Q642-Y644 HydrophobicContact CB-CD1 3.61Å; Q642-Y644 HydrophobicContact CB-CE1 3.54Å; Q642-Y644 HydrophobicContact CG-CD1 4.46Å; Q642-Y644 HydrophobicContact CG-CE1 3.99Å; Q642-Y644 PolarHBondContact O-N 3.19Å; Q642-Y644 VanDerWaalsContact O-N 3.11Å; Q642-Q645 HydrophobicContact CB-CG 4.23Å; Q642-Q645 VanDerWaalsContact CB-OE1 3.3Å; Q642-Q645 WeakPolarHBondContact O-CA 3Å; Q642-Q645 WeakPolarHBondContact O-CB 3.3Å; Q642-Q645 PolarHBondContact O-N 2.83Å; Q642-H646 PolarHBondContact O-N 3.45Å; Q642-H751 VanDerWaalsContact CD-CE1 3.46Å; Q642-H751 PolarHBondContact NE2-CE1 3.42Å | ||
| 643 | P | 92.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -47 | -39.6 | 176.5 | -28.3 | 29.8 | 0 | 0 | 0 | 114.9 | Q645 H646 S647 N748 H751 N753 A755 V927 | P643-Q645 VanDerWaalsContact C-N 3.32Å; P643-Q645 PolarHBondContact O-N 3.45Å; P643-H646 WeakPolarHBondContact O-CB 3.4Å; P643-H646 PolarHBondContact O-N 3.04Å; P643-S647 PolarHBondContact O-N 3.44Å; P643-N748 HydrophobicContact CG-CB 4.21Å; P643-H751 HydrophobicContact CG-CB 3.85Å; P643-N753 WeakPolarHBondContact CG-O 3.29Å; P643-A755 HydrophobicContact CB-CB 3.51Å; P643-A755 WeakPolarHBondContact O-CB 3.04Å; P643-V927 HydrophobicContact CB-CG1 4.16Å |
| 644 | Y | 90.1 | Very high | 94.4 | Very high | 103 Ų | 103 | 37.8 Ų | 37.8 | 40% | 0.404 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -68.9 | -26.9 | 177.7 | 83.7 | -94.1 | 0 | 0 | 0 | 113.7 | Q642 S647 A648 | Q642-Y644 HydrophobicContact CB-CD1 3.61Å; Q642-Y644 HydrophobicContact CB-CE1 3.54Å; Q642-Y644 HydrophobicContact CG-CD1 4.46Å; Q642-Y644 HydrophobicContact CG-CE1 3.99Å; Q642-Y644 PolarHBondContact O-N 3.19Å; Q642-Y644 VanDerWaalsContact O-N 3.11Å; Y644-S647 PolarHBondContact O-OG 2.94Å; Y644-A648 WeakPolarHBondContact O-CB 3.41Å; Y644-A648 PolarHBondContact O-N 2.6Å |
| 645 | Q | 91.6 | Very high | 94.5 | Very high | 61 Ų | 61 | 32.2 Ų | 32.2 | 29% | 0.285 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -75.8 | -32.8 | 174.6 | -60.9 | 171.3 | -65.3 | 0 | 0 | 110.3 | E641 Q642 P643 Y649 | E641-Q645 HydrophobicContact CB-CB 4.46Å; E641-Q645 PolarHBondContact OE2-OE1 2.82Å; Q642-Q645 HydrophobicContact CB-CG 4.23Å; Q642-Q645 VanDerWaalsContact CB-OE1 3.3Å; Q642-Q645 WeakPolarHBondContact O-CA 3Å; Q642-Q645 WeakPolarHBondContact O-CB 3.3Å; Q642-Q645 PolarHBondContact O-N 2.83Å; P643-Q645 VanDerWaalsContact C-N 3.32Å; P643-Q645 PolarHBondContact O-N 3.45Å; Q645-Y649 WeakPolarHBondContact O-CB 3.37Å; Q645-Y649 PolarHBondContact O-N 3.32Å |
| 646 | H | 95.7 | Very high | 94.3 | Very high | 6 Ų | 6 | 32 Ų | 32 | 3% | 0.028 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -64.6 | -46.1 | 171.6 | -69.4 | -174.4 | 0 | 0 | 0 | 111.3 | F638 E639 E641 Q642 P643 A648 Y649 Y650 N748 V927 | F638-H646 AromaticContact CE1-CD2 3.83Å; F638-H646 AromaticContact CZ-CD2 3.79Å; F638-H646 PolarHBondContact O-NE2 3.21Å; E639-H646 PolarHBondContact O-CE1 3.17Å; E641-H646 PolarHBondContact O-NE2 2.97Å; Q642-H646 PolarHBondContact O-N 3.45Å; P643-H646 WeakPolarHBondContact O-CB 3.4Å; P643-H646 PolarHBondContact O-N 3.04Å; H646-A648 PolarHBondContact O-N 2.77Å; H646-Y649 PolarHBondContact O-N 3.12Å; H646-Y650 HydrophobicContact CB-CD2 4.31Å; H646-Y650 HydrophobicContact CB-CE2 4.11Å; H646-Y650 WeakPolarHBondContact O-CD2 3.42Å; H646-Y650 PolarHBondContact O-N 3.32Å; H646-N748 PolarHBondContact CE1-ND2 3.16Å; H646-N748 PolarHBondContact ND1-ND2 3.21Å; H646-N748 VanDerWaalsContact ND1-ND2 3.2Å; H646-V927 HydrophobicContact CB-CG1 4.09Å; H646-V927 HydrophobicContact CB-CG2 3.91Å |
| 647 | S | 94.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -62 | -45.7 | 178.8 | 60.7 | 0 | 0 | 0 | 0 | 111.6 | P643 Y644 Y649 Y650 T651 | P643-S647 PolarHBondContact O-N 3.44Å; Y644-S647 PolarHBondContact O-OG 2.94Å; S647-Y649 VanDerWaalsContact C-N 3.32Å; S647-Y649 PolarHBondContact O-N 3.43Å; S647-Y650 PolarHBondContact O-N 3.42Å; S647-T651 PolarHBondContact O-N 3.45Å; S647-T651 PolarHBondContact O-OG1 3.34Å |
| 648 | A | 92.7 | Very high | 93.8 | Very high | 23 Ų | 23 | 33.1 Ų | 33.1 | 19% | 0.19 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -55.1 | -43.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114 | Y644 H646 S652 E757 | Y644-A648 WeakPolarHBondContact O-CB 3.41Å; Y644-A648 PolarHBondContact O-N 2.6Å; H646-A648 PolarHBondContact O-N 2.77Å; A648-S652 PolarHBondContact O-N 2.87Å; A648-S652 PolarHBondContact O-OG 3.38Å; A648-E757 WeakPolarHBondContact CA-OE2 3.49Å; A648-E757 PolarHBondContact N-OE2 3.13Å |
| 649 | Y | 96.1 | Very high | 93.7 | Very high | 17 Ų | 17 | 33.7 Ų | 33.7 | 7% | 0.067 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -66 | -47.3 | 176.1 | 158.3 | -101.9 | 0 | 0 | 0 | 111.8 | F638 Q645 H646 S647 S652 L653 M659 S661 K662 | F638-Y649 AromaticContact CE1-CD1 3.54Å; F638-Y649 HydrophobicContact CE1-CD1 3.54Å; F638-Y649 HydrophobicContact CE1-CD2 4.47Å; F638-Y649 AromaticContact CE1-CE1 3.84Å; F638-Y649 HydrophobicContact CE1-CE1 3.84Å; F638-Y649 AromaticContact CE1-CG 3.88Å; F638-Y649 HydrophobicContact CE1-CG 3.88Å; F638-Y649 HydrophobicContact CE2-CG 4.46Å; F638-Y649 AromaticContact CZ-CD1 3.63Å; F638-Y649 HydrophobicContact CZ-CD1 3.63Å; F638-Y649 HydrophobicContact CZ-CD2 4.14Å; F638-Y649 HydrophobicContact CZ-CE1 4.33Å; F638-Y649 AromaticContact CZ-CG 3.5Å; F638-Y649 HydrophobicContact CZ-CG 3.5Å; F638-Y649 VanDerWaalsContact CZ-CG 3.5Å; Q645-Y649 WeakPolarHBondContact O-CB 3.37Å; Q645-Y649 PolarHBondContact O-N 3.32Å; H646-Y649 PolarHBondContact O-N 3.12Å; S647-Y649 VanDerWaalsContact C-N 3.32Å; S647-Y649 PolarHBondContact O-N 3.43Å; Y649-S652 PolarHBondContact O-N 2.75Å; Y649-L653 HydrophobicContact CE1-CD2 4.26Å; Y649-L653 WeakPolarHBondContact O-CB 3.5Å; Y649-L653 PolarHBondContact O-N 2.87Å; Y649-M659 HydrophobicContact CD2-CE 3.85Å; Y649-M659 HydrophobicContact CE2-CE 3.95Å; Y649-S661 VanDerWaalsContact OH-CA 3.25Å; Y649-S661 WeakPolarHBondContact OH-CA 3.17Å; Y649-S661 WeakPolarHBondContact OH-CB 3.05Å; Y649-K662 HydrophobicContact CE2-CD 4.46Å; Y649-K662 HydrophobicContact CE2-CG 3.85Å; Y649-K662 PolarHBondContact OH-N 2.85Å |
| 650 | Y | 97.7 | Very high | 93.8 | Very high | 35 Ų | 35 | 31.2 Ų | 31.2 | 14% | 0.137 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -66.3 | -38.5 | -179.9 | -72.1 | -60.1 | 0 | 0 | 0 | 112.2 | H646 S647 S652 L653 L654 F744 A746 V927 | H646-Y650 HydrophobicContact CB-CD2 4.31Å; H646-Y650 HydrophobicContact CB-CE2 4.11Å; H646-Y650 WeakPolarHBondContact O-CD2 3.42Å; H646-Y650 PolarHBondContact O-N 3.32Å; S647-Y650 PolarHBondContact O-N 3.42Å; Y650-S652 VanDerWaalsContact C-N 3.33Å; Y650-S652 PolarHBondContact O-N 3.44Å; Y650-L653 HydrophobicContact CD1-CD2 4.36Å; Y650-L653 PolarHBondContact O-N 2.93Å; Y650-L654 WeakPolarHBondContact O-CB 3.36Å; Y650-L654 WeakPolarHBondContact O-CD1 3.38Å; Y650-L654 VanDerWaalsContact O-CG 3.22Å; Y650-L654 WeakPolarHBondContact O-CG 3.34Å; Y650-L654 PolarHBondContact O-N 3.02Å; Y650-F744 HydrophobicContact CD1-CD1 4.4Å; Y650-F744 AromaticContact CD1-CE1 3.44Å; Y650-F744 HydrophobicContact CD1-CE1 3.44Å; Y650-F744 VanDerWaalsContact CD1-CE1 3.44Å; Y650-F744 AromaticContact CD1-CZ 3.8Å; Y650-F744 HydrophobicContact CD1-CZ 3.8Å; Y650-F744 AromaticContact CD2-CE1 3.9Å; Y650-F744 HydrophobicContact CD2-CE1 3.9Å; Y650-F744 AromaticContact CE1-CE1 3.87Å; Y650-F744 HydrophobicContact CE1-CE1 3.87Å; Y650-F744 AromaticContact CE1-CZ 3.99Å; Y650-F744 HydrophobicContact CE1-CZ 3.99Å; Y650-F744 HydrophobicContact CE2-CE1 4.32Å; Y650-F744 HydrophobicContact CG-CD1 4.12Å; Y650-F744 AromaticContact CG-CE1 3.47Å; Y650-F744 HydrophobicContact CG-CE1 3.47Å; Y650-F744 VanDerWaalsContact CG-CE1 3.47Å; Y650-F744 HydrophobicContact CG-CZ 4.31Å; Y650-A746 HydrophobicContact CD2-CB 3.94Å; Y650-A746 HydrophobicContact CE2-CB 3.4Å; Y650-V927 HydrophobicContact CD2-CG2 4.44Å |
| 651 | T | 96.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -56.1 | -48.8 | 170.5 | -61.2 | 0 | 0 | 0 | 0 | 111.1 | S647 L653 L654 L655 E757 L759 L923 V925 | S647-T651 PolarHBondContact O-N 3.45Å; S647-T651 PolarHBondContact O-OG1 3.34Å; T651-L653 VanDerWaalsContact C-N 3.33Å; T651-L653 PolarHBondContact O-N 2.95Å; T651-L654 PolarHBondContact O-N 3.26Å; T651-L655 HydrophobicContact CG2-CD1 3.68Å; T651-L655 WeakPolarHBondContact O-CB 3.42Å; T651-L655 WeakPolarHBondContact O-CG 3.45Å; T651-L655 PolarHBondContact O-N 2.76Å; T651-E757 WeakPolarHBondContact CB-OE1 3.35Å; T651-E757 WeakPolarHBondContact CG2-OE1 3.27Å; T651-E757 PolarHBondContact OG1-OE1 3.37Å; T651-L759 HydrophobicContact CG2-CD2 4.22Å; T651-L923 HydrophobicContact CG2-CD2 4.22Å; T651-V925 WeakPolarHBondContact OG1-CG2 3.28Å |
| 652 | S | 95.3 | Very high | 94 | Very high | 40 Ų | 40 | 30.9 Ų | 30.9 | 28% | 0.28 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -64.1 | -39.3 | -179.6 | -56.3 | 0 | 0 | 0 | 0 | 112 | A648 Y649 Y650 S656 | A648-S652 PolarHBondContact O-N 2.87Å; A648-S652 PolarHBondContact O-OG 3.38Å; Y649-S652 PolarHBondContact O-N 2.75Å; Y650-S652 VanDerWaalsContact C-N 3.33Å; Y650-S652 PolarHBondContact O-N 3.44Å; S652-S656 WeakPolarHBondContact O-CB 3.5Å; S652-S656 PolarHBondContact O-N 2.97Å; S652-S656 VanDerWaalsContact O-N 3.14Å; S652-S656 PolarHBondContact O-OG 2.78Å |
| 653 | L | 95.8 | Very high | 94.3 | Very high | 8 Ų | 8 | 35.2 Ų | 35.2 | 4% | 0.042 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -67.7 | -39.8 | 177.2 | -176.6 | 65.7 | 0 | 0 | 0 | 112.1 | Y649 Y650 T651 M659 I955 K959 | Y649-L653 HydrophobicContact CE1-CD2 4.26Å; Y649-L653 WeakPolarHBondContact O-CB 3.5Å; Y649-L653 PolarHBondContact O-N 2.87Å; Y650-L653 HydrophobicContact CD1-CD2 4.36Å; Y650-L653 PolarHBondContact O-N 2.93Å; T651-L653 VanDerWaalsContact C-N 3.33Å; T651-L653 PolarHBondContact O-N 2.95Å; L653-M659 HydrophobicContact CB-CE 4.48Å; L653-M659 HydrophobicContact CB-SD 4.28Å; L653-M659 HydrophobicContact CD1-CB 4.19Å; L653-M659 HydrophobicContact CD1-CG 3.95Å; L653-M659 WeakPolarHBondContact CD1-O 3.39Å; L653-M659 HydrophobicContact CD1-SD 4.46Å; L653-I955 HydrophobicContact CD2-CD1 3.65Å; L653-I955 HydrophobicContact CG-CD1 4.18Å; L653-K959 WeakPolarHBondContact O-CE 3.31Å; L653-K959 PolarHBondContact O-NZ 2.88Å |
| 654 | L | 97 | Very high | 94.5 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -68.4 | -42.1 | 178.3 | -75.1 | 161.2 | 0 | 0 | 0 | 112.2 | Y650 T651 F744 L923 V925 V952 I955 F958 K959 | Y650-L654 WeakPolarHBondContact O-CB 3.36Å; Y650-L654 WeakPolarHBondContact O-CD1 3.38Å; Y650-L654 VanDerWaalsContact O-CG 3.22Å; Y650-L654 WeakPolarHBondContact O-CG 3.34Å; Y650-L654 PolarHBondContact O-N 3.02Å; T651-L654 PolarHBondContact O-N 3.26Å; L654-F744 HydrophobicContact CD1-CB 3.71Å; L654-F744 HydrophobicContact CD1-CD1 4.35Å; L654-F744 HydrophobicContact CD1-CD2 4.44Å; L654-F744 HydrophobicContact CD1-CG 3.92Å; L654-F744 HydrophobicContact CD2-CD2 4.32Å; L654-L923 HydrophobicContact CD1-CD1 4.07Å; L654-L923 HydrophobicContact CD1-CD2 4.22Å; L654-V925 HydrophobicContact CD1-CG2 3.89Å; L654-V952 HydrophobicContact CD2-CG1 3.97Å; L654-I955 HydrophobicContact CD2-CD1 4.37Å; L654-I955 HydrophobicContact CD2-CG1 3.93Å; L654-I955 HydrophobicContact CD2-CG2 4.22Å; L654-F958 HydrophobicContact CB-CE1 4.49Å; L654-F958 HydrophobicContact CD2-CD1 3.92Å; L654-F958 HydrophobicContact CD2-CE1 4.06Å; L654-K959 VanDerWaalsContact O-CE 3.23Å; L654-K959 WeakPolarHBondContact O-CE 3.49Å |
| 655 | L | 96.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -94.7 | -18.6 | -167.6 | -63.7 | 176 | 0 | 0 | 0 | 115.3 | T651 E733 L734 L736 L759 L923 | T651-L655 HydrophobicContact CG2-CD1 3.68Å; T651-L655 WeakPolarHBondContact O-CB 3.42Å; T651-L655 WeakPolarHBondContact O-CG 3.45Å; T651-L655 PolarHBondContact O-N 2.76Å; L655-E733 HydrophobicContact CB-CG 4.13Å; L655-E733 CarbonylContact O-C 3.53Å; L655-E733 VanDerWaalsContact O-CA 3.3Å; L655-E733 WeakPolarHBondContact O-CA 3.48Å; L655-L734 WeakPolarHBondContact O-CD1 3.29Å; L655-L734 PolarHBondContact O-N 2.71Å; L655-L736 HydrophobicContact CD2-CD1 4.33Å; L655-L736 HydrophobicContact CD2-CD2 3.96Å; L655-L736 HydrophobicContact CD2-CG 4.04Å; L655-L759 HydrophobicContact CD1-CD2 3.24Å; L655-L923 HydrophobicContact CD1-CD2 3.94Å; L655-L923 HydrophobicContact CD2-CD2 4.12Å; L655-L923 HydrophobicContact CG-CD2 4Å |
| 656 | S | 94.1 | Very high | 95.2 | Very high | 6 Ų | 6 | 34.3 Ų | 34.3 | 4% | 0.042 | 16% | 0.164 | C | C | . | . | B | Isolated β-bridge | trans | -80.2 | 130.5 | 176.8 | -56.1 | 0 | 0 | 0 | 0 | 111.4 | S652 R658 H802 K959 | S652-S656 WeakPolarHBondContact O-CB 3.5Å; S652-S656 PolarHBondContact O-N 2.97Å; S652-S656 VanDerWaalsContact O-N 3.14Å; S652-S656 PolarHBondContact O-OG 2.78Å; S656-R658 PolarHBondContact O-N 3.43Å; S656-H802 PolarHBondContact OG-NE2 3.41Å; S656-H802 VanDerWaalsContact OG-NE2 3.15Å; S656-K959 WeakPolarHBondContact O-CE 3.31Å; S656-K959 PolarHBondContact O-NZ 2.76Å |
| 657 | E | 92.1 | Very high | 95.3 | Very high | 47 Ų | 47 | 40 Ų | 40 | 22% | 0.22 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -49 | -45.3 | 175.7 | 179.8 | 177.4 | 179.5 | 0 | 0 | 111.8 | R732 L964 | E657-R732 VanDerWaalsContact CB-O 3.25Å; E657-R732 WeakPolarHBondContact CB-O 3.48Å; E657-R732 PolarHBondContact N-O 2.72Å; E657-R732 IonicContact OE1-CZ 2.69Å; E657-R732 IonicContact OE1-NE 2.8Å; E657-R732 IonicContact OE1-NH2 2.71Å; E657-R732 PolarHBondContact OE1-NH2 3.26Å; E657-R732 WeakPolarHBondContact OE2-CB 3.35Å; E657-R732 IonicContact OE2-CZ 2.92Å; E657-R732 PolarHBondContact OE2-N 2.91Å; E657-R732 IonicContact OE2-NE 3.72Å; E657-R732 PolarHBondContact OE2-NE 3.11Å; E657-R732 IonicContact OE2-NH2 3.67Å; E657-R732 PolarHBondContact OE2-NH2 3.28Å; E657-L964 HydrophobicContact CB-CD2 3.97Å; E657-L964 HydrophobicContact CG-CD1 3.92Å; E657-L964 HydrophobicContact CG-CD2 4.13Å |
| 658 | R | 88.3 | Confident | 95.4 | Very high | 114 Ų | 114 | 41.9 Ų | 41.9 | 43% | 0.43 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -129.3 | 121.4 | 172.3 | -67.1 | 178.3 | -174.8 | -168 | -0.1 | 109.8 | Q589 S656 F731 | Q589-R658 PolarHBondContact NE2-O 3.09Å; S656-R658 PolarHBondContact O-N 3.43Å; R658-F731 HydrophobicContact CB-CD1 4.17Å; R658-F731 HydrophobicContact CB-CE1 3.63Å; R658-F731 HydrophobicContact CB-CZ 4.27Å; R658-F731 WeakPolarHBondContact O-CE1 3.44Å |
| 659 | M | 92.4 | Very high | 95.6 | Very high | 45 Ų | 45 | 40.8 Ų | 40.8 | 22% | 0.222 | 19% | 0.188 | C | C | . | . | trans | -159.5 | 129.9 | 169.1 | 178.4 | 173.4 | 171.8 | 0 | 0 | 107.5 | Y649 L653 | Y649-M659 HydrophobicContact CD2-CE 3.85Å; Y649-M659 HydrophobicContact CE2-CE 3.95Å; L653-M659 HydrophobicContact CB-CE 4.48Å; L653-M659 HydrophobicContact CB-SD 4.28Å; L653-M659 HydrophobicContact CD1-CB 4.19Å; L653-M659 HydrophobicContact CD1-CG 3.95Å; L653-M659 WeakPolarHBondContact CD1-O 3.39Å; L653-M659 HydrophobicContact CD1-SD 4.46Å | ||
| 660 | W | 94.5 | Very high | 95.6 | Very high | 52 Ų | 52 | 43 Ų | 43 | 20% | 0.197 | 20% | 0.203 | C | C | . | . | trans | -88 | 136.6 | -179.4 | -45.5 | 126.4 | 0 | 0 | 0 | 110.1 | S549 S550 D551 P552 L665 | S549-W660 PolarHBondContact O-NE1 3.39Å; S549-W660 PolarHBondContact OG-NE1 3.39Å; S550-W660 WeakPolarHBondContact O-CZ2 3.2Å; D551-W660 VanDerWaalsContact C-CE2 3.49Å; D551-W660 PolarHBondContact O-NE1 3.21Å; P552-W660 HydrophobicContact CB-CB 4.38Å; P552-W660 HydrophobicContact CB-CD2 4.46Å; P552-W660 HydrophobicContact CB-CG 4.19Å; P552-W660 HydrophobicContact CG-CB 4.2Å; P552-W660 HydrophobicContact CG-CD2 3.68Å; P552-W660 HydrophobicContact CG-CE3 3.71Å; P552-W660 HydrophobicContact CG-CG 3.87Å; P552-W660 HydrophobicContact CG-CZ3 4.39Å; W660-L665 HydrophobicContact CB-CD1 4.47Å; W660-L665 HydrophobicContact CB-CD2 3.98Å; W660-L665 HydrophobicContact CB-CG 4Å | ||
| 661 | S | 95.9 | Very high | 95.5 | Very high | 15 Ų | 15 | 46.4 Ų | 46.4 | 11% | 0.105 | 22% | 0.224 | C | C | . | . | trans | -69.9 | 157.8 | 175.4 | 66.1 | 0 | 0 | 0 | 0 | 111.5 | Y649 Q663 E664 L665 | Y649-S661 VanDerWaalsContact OH-CA 3.25Å; Y649-S661 WeakPolarHBondContact OH-CA 3.17Å; Y649-S661 WeakPolarHBondContact OH-CB 3.05Å; S661-Q663 PolarHBondContact O-N 3.35Å; S661-E664 VanDerWaalsContact CB-OE2 3.24Å; S661-E664 WeakPolarHBondContact CB-OE2 3.46Å; S661-E664 PolarHBondContact N-OE2 3.08Å; S661-E664 PolarHBondContact O-N 3.4Å; S661-E664 VanDerWaalsContact OG-CD 3.3Å; S661-E664 VanDerWaalsContact OG-CG 3.27Å; S661-E664 WeakPolarHBondContact OG-CG 3.4Å; S661-E664 PolarHBondContact OG-N 2.93Å; S661-E664 VanDerWaalsContact OG-N 3.13Å; S661-E664 PolarHBondContact OG-OE2 2.96Å; S661-L665 WeakPolarHBondContact O-CG 3.46Å; S661-L665 PolarHBondContact O-N 3.22Å | ||
| 662 | K | 95.9 | Very high | 95.5 | Very high | 65 Ų | 65 | 46.8 Ų | 46.8 | 28% | 0.283 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -59.5 | -32.4 | 172.2 | -61 | -61.9 | -176.1 | 178.5 | 0 | 111.9 | L635 F638 Y649 L666 | L635-K662 HydrophobicContact CD2-CD 3.79Å; F638-K662 HydrophobicContact CB-CG 4.39Å; F638-K662 HydrophobicContact CD1-CB 4.42Å; F638-K662 HydrophobicContact CD1-CG 3.72Å; F638-K662 HydrophobicContact CE1-CG 4.17Å; F638-K662 HydrophobicContact CG-CD 4.38Å; F638-K662 HydrophobicContact CG-CG 3.95Å; Y649-K662 HydrophobicContact CE2-CD 4.46Å; Y649-K662 HydrophobicContact CE2-CG 3.85Å; Y649-K662 PolarHBondContact OH-N 2.85Å; K662-L666 WeakPolarHBondContact O-CB 3.26Å; K662-L666 PolarHBondContact O-N 2.83Å |
| 663 | Q | 95.5 | Very high | 95.5 | Very high | 102 Ų | 102 | 48 Ų | 48 | 48% | 0.477 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -67 | -45.2 | 175.6 | -66.9 | 82.7 | 3 | 0 | 0 | 112.4 | S661 L666 K667 | S661-Q663 PolarHBondContact O-N 3.35Å; Q663-L666 PolarHBondContact O-N 3.45Å; Q663-K667 PolarHBondContact O-N 3.12Å |
| 664 | E | 96.6 | Very high | 95.5 | Very high | 83 Ų | 83 | 49.6 Ų | 49.6 | 39% | 0.388 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -62.7 | -48 | 175.4 | -71.7 | 160 | 124.4 | 0 | 0 | 111.1 | P552 S661 L666 K667 E668 | P552-E664 HydrophobicContact CB-CB 4.12Å; P552-E664 HydrophobicContact CG-CB 3.97Å; S661-E664 VanDerWaalsContact CB-OE2 3.24Å; S661-E664 WeakPolarHBondContact CB-OE2 3.46Å; S661-E664 PolarHBondContact N-OE2 3.08Å; S661-E664 PolarHBondContact O-N 3.4Å; S661-E664 VanDerWaalsContact OG-CD 3.3Å; S661-E664 VanDerWaalsContact OG-CG 3.27Å; S661-E664 WeakPolarHBondContact OG-CG 3.4Å; S661-E664 PolarHBondContact OG-N 2.93Å; S661-E664 VanDerWaalsContact OG-N 3.13Å; S661-E664 PolarHBondContact OG-OE2 2.96Å; E664-L666 VanDerWaalsContact C-N 3.32Å; E664-L666 PolarHBondContact O-N 3.15Å; E664-K667 PolarHBondContact O-N 3.04Å; E664-E668 PolarHBondContact O-N 3.49Å; E664-E668 VanDerWaalsContact O-N 3.16Å |
| 665 | L | 97.7 | Very high | 95.4 | Very high | 20 Ų | 20 | 55.8 Ų | 55.8 | 11% | 0.105 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62 | -38.5 | 177 | -65.7 | 173.5 | 0 | 0 | 0 | 112.2 | P552 A555 V556 L635 W660 S661 A669 | P552-L665 HydrophobicContact CB-CD2 4.44Å; A555-L665 HydrophobicContact CB-CD2 3.93Å; V556-L665 HydrophobicContact CG2-CB 4.36Å; V556-L665 HydrophobicContact CG2-CD2 3.89Å; V556-L665 WeakPolarHBondContact CG2-O 3.5Å; L635-L665 HydrophobicContact CD1-CB 4.06Å; L635-L665 HydrophobicContact CD2-CB 4.2Å; W660-L665 HydrophobicContact CB-CD1 4.47Å; W660-L665 HydrophobicContact CB-CD2 3.98Å; W660-L665 HydrophobicContact CB-CG 4Å; S661-L665 WeakPolarHBondContact O-CG 3.46Å; S661-L665 PolarHBondContact O-N 3.22Å; L665-A669 WeakPolarHBondContact O-CB 3.33Å; L665-A669 PolarHBondContact O-N 3.16Å |
| 666 | L | 97.9 | Very high | 95.4 | Very high | 43 Ų | 43 | 57.3 Ų | 57.3 | 23% | 0.225 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -66.5 | -38.9 | 179.1 | 175.3 | 60.9 | 0 | 0 | 0 | 111.9 | V632 L635 R636 K662 Q663 E664 T670 | V632-L666 HydrophobicContact CB-CD1 4.42Å; V632-L666 HydrophobicContact CG1-CD1 3.81Å; L635-L666 HydrophobicContact CB-CB 4.22Å; L635-L666 HydrophobicContact CB-CD1 4.1Å; L635-L666 HydrophobicContact CD1-CB 4.3Å; R636-L666 HydrophobicContact CG-CD1 3.92Å; R636-L666 HydrophobicContact CG-CD2 3.9Å; K662-L666 WeakPolarHBondContact O-CB 3.26Å; K662-L666 PolarHBondContact O-N 2.83Å; Q663-L666 PolarHBondContact O-N 3.45Å; E664-L666 VanDerWaalsContact C-N 3.32Å; E664-L666 PolarHBondContact O-N 3.15Å; L666-T670 PolarHBondContact O-N 2.99Å; L666-T670 VanDerWaalsContact O-N 3.09Å; L666-T670 PolarHBondContact O-OG1 3.48Å |
| 667 | K | 97.1 | Very high | 95.5 | Very high | 124 Ų | 124 | 57 Ų | 57 | 54% | 0.539 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -61 | -57.7 | 175.4 | -175.2 | -171.6 | 163.9 | -113.6 | 0 | 110.2 | Q663 E664 A669 T670 D671 | Q663-K667 PolarHBondContact O-N 3.12Å; E664-K667 PolarHBondContact O-N 3.04Å; K667-A669 VanDerWaalsContact C-N 3.31Å; K667-A669 PolarHBondContact O-N 3.24Å; K667-T670 WeakPolarHBondContact O-CB 3.31Å; K667-T670 PolarHBondContact O-N 3.4Å; K667-D671 PolarHBondContact O-N 2.98Å |
| 668 | E | 97.3 | Very high | 95.5 | Very high | 41 Ų | 41 | 58.4 Ų | 58.4 | 19% | 0.192 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -66.5 | -31.5 | -178.1 | -54.2 | -53.6 | 130 | 0 | 0 | 112.5 | P552 V556 E664 T670 D671 I672 | P552-E668 HydrophobicContact CB-CG 3.93Å; V556-E668 HydrophobicContact CG2-CB 4.09Å; E664-E668 PolarHBondContact O-N 3.49Å; E664-E668 VanDerWaalsContact O-N 3.16Å; E668-T670 VanDerWaalsContact C-N 3.27Å; E668-T670 PolarHBondContact O-N 2.97Å; E668-D671 PolarHBondContact O-N 3.45Å; E668-I672 PolarHBondContact O-N 2.76Å; E668-I672 VanDerWaalsContact O-N 3.11Å |
| 669 | A | 97.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -70.2 | -19 | 173 | 0 | 0 | 0 | 0 | 0 | 114.1 | V556 K628 Y631 V632 L635 L665 K667 | V556-A669 HydrophobicContact CG1-CB 3.89Å; V556-A669 HydrophobicContact CG2-CB 4.14Å; K628-A669 WeakPolarHBondContact CE-O 3.39Å; Y631-A669 HydrophobicContact CD1-CB 3.89Å; Y631-A669 HydrophobicContact CE1-CB 3.89Å; V632-A669 HydrophobicContact CG2-CB 3.97Å; V632-A669 VanDerWaalsContact CG2-O 3.27Å; V632-A669 WeakPolarHBondContact CG2-O 3.08Å; L635-A669 HydrophobicContact CD1-CB 3.93Å; L665-A669 WeakPolarHBondContact O-CB 3.33Å; L665-A669 PolarHBondContact O-N 3.16Å; K667-A669 VanDerWaalsContact C-N 3.31Å; K667-A669 PolarHBondContact O-N 3.24Å |
| 670 | T | 96.2 | Very high | 95.9 | Very high | 63 Ų | 63 | 57 Ų | 57 | 39% | 0.387 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -77.2 | -35.7 | 173.1 | -57.6 | 0 | 0 | 0 | 0 | 110.8 | K628 L666 K667 E668 | K628-T670 WeakPolarHBondContact CE-O 3.3Å; K628-T670 PolarHBondContact NZ-O 2.91Å; L666-T670 PolarHBondContact O-N 2.99Å; L666-T670 VanDerWaalsContact O-N 3.09Å; L666-T670 PolarHBondContact O-OG1 3.48Å; K667-T670 WeakPolarHBondContact O-CB 3.31Å; K667-T670 PolarHBondContact O-N 3.4Å; E668-T670 VanDerWaalsContact C-N 3.27Å; E668-T670 PolarHBondContact O-N 2.97Å |
| 671 | D | 94.4 | Very high | 95.8 | Very high | 107 Ų | 107 | 55 Ų | 55 | 57% | 0.572 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -93.3 | -18 | -172.4 | -64.1 | -24.2 | 0 | 0 | 0 | 114.3 | K667 E668 | K667-D671 PolarHBondContact O-N 2.98Å; E668-D671 PolarHBondContact O-N 3.45Å |
| 672 | I | 96.7 | Very high | 95.6 | Very high | 7 Ų | 7 | 57.3 Ų | 57.3 | 4% | 0.036 | 28% | 0.283 | C | S | . | . | trans | -55.8 | 138.2 | -179.1 | -169.8 | 166.8 | 0 | 0 | 0 | 113.8 | V556 R557 M560 F624 K628 E668 D676 L677 | V556-I672 HydrophobicContact CG1-CB 4.33Å; V556-I672 HydrophobicContact CG1-CD1 3.85Å; V556-I672 HydrophobicContact CG1-CG2 4.2Å; R557-I672 HydrophobicContact CB-CD1 4.44Å; R557-I672 HydrophobicContact CG-CD1 3.8Å; M560-I672 HydrophobicContact CB-CD1 4.32Å; M560-I672 HydrophobicContact CG-CD1 4.25Å; F624-I672 HydrophobicContact CZ-CG1 4.48Å; F624-I672 HydrophobicContact CZ-CG2 4.3Å; K628-I672 HydrophobicContact CD-CG2 4.04Å; K628-I672 WeakPolarHBondContact CE-O 3.5Å; K628-I672 HydrophobicContact CG-CG2 4.24Å; K628-I672 PolarHBondContact NZ-O 3.36Å; E668-I672 PolarHBondContact O-N 2.76Å; E668-I672 VanDerWaalsContact O-N 3.11Å; I672-D676 HydrophobicContact CD1-CB 4.34Å; I672-D676 HydrophobicContact CG1-CB 3.9Å; I672-L677 HydrophobicContact CD1-CD2 3.94Å | ||
| 673 | V | 96.2 | Very high | 95.4 | Very high | 66 Ų | 66 | 56.2 Ų | 56.2 | 40% | 0.4 | 28% | 0.28 | S | S | . | . | trans | -117.3 | 171.8 | 176.2 | -62.4 | 0 | 0 | 0 | 0 | 112.4 | E675 D676 | V673-E675 VanDerWaalsContact C-N 3.3Å; V673-E675 WeakPolarHBondContact CB-OE2 3.31Å; V673-E675 HydrophobicContact CG2-CB 4.28Å; V673-E675 WeakPolarHBondContact CG2-OE2 3.19Å; V673-E675 PolarHBondContact O-N 3.25Å; V673-D676 WeakPolarHBondContact CG2-OD2 3.43Å; V673-D676 PolarHBondContact N-OD2 3.26Å; V673-D676 WeakPolarHBondContact O-CB 3.28Å; V673-D676 PolarHBondContact O-N 3.33Å | ||
| 674 | L | 95.8 | Very high | 95.3 | Very high | 41 Ų | 41 | 51.5 Ų | 51.5 | 22% | 0.215 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.2 | -38.5 | -176.2 | -168.8 | 76.1 | 0 | 0 | 0 | 111.8 | F619 A621 F624 D676 L677 | F619-L674 HydrophobicContact CB-CD1 3.58Å; F619-L674 HydrophobicContact CB-CG 4.24Å; A621-L674 HydrophobicContact CB-CD2 4.4Å; F624-L674 HydrophobicContact CB-CD1 3.42Å; F624-L674 VanDerWaalsContact CB-CD1 3.42Å; F624-L674 HydrophobicContact CD1-CB 4.39Å; F624-L674 HydrophobicContact CD1-CD1 4.11Å; F624-L674 HydrophobicContact CD2-CD1 3.92Å; F624-L674 HydrophobicContact CG-CD1 3.55Å; L674-D676 PolarHBondContact O-N 3.46Å; L674-L677 WeakPolarHBondContact O-CB 3.29Å; L674-L677 PolarHBondContact O-N 3.19Å |
| 675 | E | 95.5 | Very high | 95.1 | Very high | 131 Ų | 131 | 47.6 Ų | 47.6 | 61% | 0.612 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -62.5 | -30 | -178.7 | -65 | 72.4 | -162.4 | 0 | 0 | 112.2 | V673 L677 E678 K679 | V673-E675 VanDerWaalsContact C-N 3.3Å; V673-E675 WeakPolarHBondContact CB-OE2 3.31Å; V673-E675 HydrophobicContact CG2-CB 4.28Å; V673-E675 WeakPolarHBondContact CG2-OE2 3.19Å; V673-E675 PolarHBondContact O-N 3.25Å; E675-L677 PolarHBondContact O-N 2.92Å; E675-E678 PolarHBondContact O-N 3.07Å; E675-K679 PolarHBondContact O-N 3.28Å; E675-K679 VanDerWaalsContact O-N 3.11Å |
| 676 | D | 95.8 | Very high | 94.7 | Very high | 32 Ų | 32 | 49.4 Ų | 49.4 | 17% | 0.171 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.8 | -35.7 | 174.1 | -74.1 | -53.5 | 0 | 0 | 0 | 111.7 | R557 I672 V673 L674 F680 | R557-D676 HydrophobicContact CG-CB 4.27Å; R557-D676 IonicContact CZ-OD1 2.75Å; R557-D676 IonicContact NE-OD1 3.18Å; R557-D676 PolarHBondContact NE-OD1 3.33Å; R557-D676 IonicContact NH2-OD1 2.74Å; R557-D676 PolarHBondContact NH2-OD1 2.93Å; I672-D676 HydrophobicContact CD1-CB 4.34Å; I672-D676 HydrophobicContact CG1-CB 3.9Å; V673-D676 WeakPolarHBondContact CG2-OD2 3.43Å; V673-D676 PolarHBondContact N-OD2 3.26Å; V673-D676 WeakPolarHBondContact O-CB 3.28Å; V673-D676 PolarHBondContact O-N 3.33Å; L674-D676 PolarHBondContact O-N 3.46Å; D676-F680 WeakPolarHBondContact O-CB 3.42Å; D676-F680 PolarHBondContact O-N 3.47Å |
| 677 | L | 96.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -75.1 | -33.7 | -179.2 | -56.9 | -171.3 | 0 | 0 | 0 | 112.4 | M560 M564 F619 F624 I672 L674 E675 K681 | M560-L677 HydrophobicContact CB-CD1 4.28Å; M560-L677 HydrophobicContact CB-CD2 3.78Å; M564-L677 HydrophobicContact CG-CD1 3.92Å; F619-L677 HydrophobicContact CD1-CB 4.32Å; F619-L677 HydrophobicContact CD1-CD1 4.06Å; F619-L677 HydrophobicContact CD2-CB 3.91Å; F619-L677 HydrophobicContact CE1-CB 4.09Å; F619-L677 HydrophobicContact CE1-CD1 4.23Å; F619-L677 HydrophobicContact CE2-CB 3.67Å; F619-L677 WeakPolarHBondContact CE2-O 3.47Å; F619-L677 HydrophobicContact CG-CB 4.25Å; F619-L677 HydrophobicContact CG-CD1 4.41Å; F619-L677 HydrophobicContact CZ-CB 3.77Å; F624-L677 HydrophobicContact CD2-CD1 3.62Å; F624-L677 HydrophobicContact CD2-CG 4.46Å; F624-L677 HydrophobicContact CE2-CD1 3.74Å; F624-L677 HydrophobicContact CE2-CG 4.15Å; I672-L677 HydrophobicContact CD1-CD2 3.94Å; L674-L677 WeakPolarHBondContact O-CB 3.29Å; L674-L677 PolarHBondContact O-N 3.19Å; E675-L677 PolarHBondContact O-N 2.92Å; L677-K681 WeakPolarHBondContact O-CB 3.39Å; L677-K681 PolarHBondContact O-N 3.45Å |
| 678 | E | 92.7 | Very high | 94.2 | Very high | 76 Ų | 76 | 42.3 Ų | 42.3 | 36% | 0.355 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -66.7 | -42.9 | 173.4 | -77.5 | -62.5 | 155.3 | 0 | 0 | 111.7 | F619 E675 K681 T682 | F619-E678 HydrophobicContact CD2-CG 3.9Å; F619-E678 WeakPolarHBondContact CD2-OE1 3.35Å; F619-E678 HydrophobicContact CE2-CG 4.11Å; F619-E678 WeakPolarHBondContact CE2-OE1 3.46Å; E675-E678 PolarHBondContact O-N 3.07Å; E678-K681 IonicContact OE1-NZ 3.16Å; E678-K681 PolarHBondContact OE1-NZ 3.18Å; E678-K681 WeakPolarHBondContact OE2-CE 3.28Å; E678-K681 IonicContact OE2-NZ 2.93Å; E678-K681 PolarHBondContact OE2-NZ 3.42Å; E678-T682 PolarHBondContact O-N 3.09Å; E678-T682 PolarHBondContact O-OG1 3.05Å; E678-T682 VanDerWaalsContact O-OG1 3.05Å |
| 679 | K | 92.5 | Very high | 94 | Very high | 126 Ų | 126 | 40.3 Ų | 40.3 | 55% | 0.548 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -64.3 | -50.3 | 172.6 | -174.4 | -178.3 | 176.8 | -174.5 | 0 | 111.2 | E675 K681 T682 D683 | E675-K679 PolarHBondContact O-N 3.28Å; E675-K679 VanDerWaalsContact O-N 3.11Å; K679-K681 PolarHBondContact O-N 3.35Å; K679-T682 WeakPolarHBondContact O-CA 3.39Å; K679-T682 WeakPolarHBondContact O-CB 3.27Å; K679-T682 PolarHBondContact O-N 3.37Å; K679-D683 PolarHBondContact O-N 2.86Å |
| 680 | F | 95 | Very high | 93.9 | Very high | 3 Ų | 3 | 40.3 Ų | 40.3 | 1% | 0.013 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -56.2 | -46.7 | 178.7 | 176.8 | -96.6 | 0 | 0 | 0 | 112.2 | K547 L548 E554 R557 A558 Y561 D676 T682 D683 L684 | K547-F680 WeakPolarHBondContact O-CE2 3.48Å; L548-F680 HydrophobicContact CD2-CZ 4.33Å; E554-F680 VanDerWaalsContact OE2-CD2 3.29Å; E554-F680 WeakPolarHBondContact OE2-CD2 3.34Å; R557-F680 HydrophobicContact CB-CB 4.07Å; R557-F680 HydrophobicContact CB-CD1 4.46Å; R557-F680 HydrophobicContact CB-CD2 3.49Å; R557-F680 VanDerWaalsContact CB-CD2 3.49Å; R557-F680 HydrophobicContact CB-CE2 4.02Å; R557-F680 HydrophobicContact CB-CG 3.74Å; R557-F680 HydrophobicContact CG-CB 4.47Å; R557-F680 HydrophobicContact CG-CD2 4.44Å; A558-F680 HydrophobicContact CB-CE1 4.34Å; A558-F680 HydrophobicContact CB-CE2 4.1Å; A558-F680 HydrophobicContact CB-CZ 3.57Å; Y561-F680 AromaticContact CD1-CE1 3.98Å; Y561-F680 HydrophobicContact CD1-CE1 3.98Å; Y561-F680 HydrophobicContact CD2-CD1 4.29Å; Y561-F680 HydrophobicContact CD2-CE1 4.48Å; Y561-F680 AromaticContact CG-CD1 3.93Å; Y561-F680 HydrophobicContact CG-CD1 3.93Å; Y561-F680 AromaticContact CG-CE1 3.77Å; Y561-F680 HydrophobicContact CG-CE1 3.77Å; D676-F680 WeakPolarHBondContact O-CB 3.42Å; D676-F680 PolarHBondContact O-N 3.47Å; F680-T682 PolarHBondContact O-N 3.41Å; F680-D683 PolarHBondContact O-N 2.79Å; F680-L684 HydrophobicContact CE1-CB 4.24Å; F680-L684 HydrophobicContact CE1-CD2 3.78Å; F680-L684 HydrophobicContact CE1-CG 4.45Å; F680-L684 HydrophobicContact CZ-CB 4.35Å; F680-L684 HydrophobicContact CZ-CD1 4.28Å; F680-L684 HydrophobicContact CZ-CD2 4.18Å; F680-L684 WeakPolarHBondContact O-CB 3.31Å; F680-L684 PolarHBondContact O-N 2.87Å |
| 681 | K | 93.7 | Very high | 93.8 | Very high | 10 Ų | 10 | 37.3 Ų | 37.3 | 4% | 0.043 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -55.5 | -39.7 | 175 | 178.9 | 178.8 | 69.6 | -159.4 | 0 | 111.5 | Y561 I617 F619 L677 E678 K679 F685 | Y561-K681 HydrophobicContact CD2-CB 4.42Å; Y561-K681 HydrophobicContact CE2-CB 4.22Å; Y561-K681 HydrophobicContact CE2-CD 4.43Å; Y561-K681 HydrophobicContact CE2-CG 4.12Å; I617-K681 HydrophobicContact CG2-CD 3.58Å; I617-K681 PolarHBondContact O-NZ 2.71Å; F619-K681 HydrophobicContact CE2-CD 4.28Å; F619-K681 HydrophobicContact CZ-CB 4.42Å; F619-K681 HydrophobicContact CZ-CD 4.2Å; L677-K681 WeakPolarHBondContact O-CB 3.39Å; L677-K681 PolarHBondContact O-N 3.45Å; E678-K681 IonicContact OE1-NZ 3.16Å; E678-K681 PolarHBondContact OE1-NZ 3.18Å; E678-K681 WeakPolarHBondContact OE2-CE 3.28Å; E678-K681 IonicContact OE2-NZ 2.93Å; E678-K681 PolarHBondContact OE2-NZ 3.42Å; K679-K681 PolarHBondContact O-N 3.35Å; K681-F685 VanDerWaalsContact O-CD2 3.28Å; K681-F685 WeakPolarHBondContact O-CD2 3.49Å |
| 682 | T | 90.9 | Very high | 94 | Very high | 64 Ų | 64 | 32.2 Ų | 32.2 | 39% | 0.393 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -72.7 | -44.6 | 179.4 | -57.2 | 0 | 0 | 0 | 0 | 111.9 | E678 K679 F680 | E678-T682 PolarHBondContact O-N 3.09Å; E678-T682 PolarHBondContact O-OG1 3.05Å; E678-T682 VanDerWaalsContact O-OG1 3.05Å; K679-T682 WeakPolarHBondContact O-CA 3.39Å; K679-T682 WeakPolarHBondContact O-CB 3.27Å; K679-T682 PolarHBondContact O-N 3.37Å; F680-T682 PolarHBondContact O-N 3.41Å |
| 683 | D | 92 | Very high | 94.1 | Very high | 41 Ų | 41 | 31.9 Ų | 31.9 | 22% | 0.219 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -66.2 | -41.9 | 178.5 | -83.5 | 15 | 0 | 0 | 0 | 112.2 | K547 K679 F680 F685 S686 | K547-D683 HydrophobicContact CD-CB 4.13Å; K547-D683 HydrophobicContact CG-CB 4.24Å; K547-D683 IonicContact NZ-OD2 3.46Å; K547-D683 PolarHBondContact NZ-OD2 2.86Å; K679-D683 PolarHBondContact O-N 2.86Å; F680-D683 PolarHBondContact O-N 2.79Å; D683-F685 PolarHBondContact O-N 2.76Å; D683-S686 WeakPolarHBondContact O-CB 3.49Å; D683-S686 PolarHBondContact O-N 2.84Å; D683-S686 PolarHBondContact O-OG 2.88Å |
| 684 | L | 92.4 | Very high | 94.2 | Very high | 3 Ų | 3 | 28.8 Ų | 28.8 | 2% | 0.016 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -55.7 | -50 | -177.2 | 173.6 | 63.8 | 0 | 0 | 0 | 112.1 | S545 L548 Y561 L592 F680 S686 L688 | S545-L684 PolarHBondContact OG-O 2.86Å; L548-L684 HydrophobicContact CD1-CD1 4.45Å; L548-L684 HydrophobicContact CD2-CD1 3.72Å; L548-L684 HydrophobicContact CG-CD1 3.89Å; Y561-L684 HydrophobicContact CD1-CD2 4.2Å; Y561-L684 HydrophobicContact CE1-CD2 3.92Å; L592-L684 HydrophobicContact CD2-CD2 4.06Å; F680-L684 HydrophobicContact CE1-CB 4.24Å; F680-L684 HydrophobicContact CE1-CD2 3.78Å; F680-L684 HydrophobicContact CE1-CG 4.45Å; F680-L684 HydrophobicContact CZ-CB 4.35Å; F680-L684 HydrophobicContact CZ-CD1 4.28Å; F680-L684 HydrophobicContact CZ-CD2 4.18Å; F680-L684 WeakPolarHBondContact O-CB 3.31Å; F680-L684 PolarHBondContact O-N 2.87Å; L684-S686 VanDerWaalsContact C-N 3.33Å; L684-L688 VanDerWaalsContact O-CD2 3.27Å; L684-L688 WeakPolarHBondContact O-CD2 3.08Å |
| 685 | F | 92.3 | Very high | 94.2 | Very high | 2 Ų | 2 | 26.8 Ų | 26.8 | 1% | 0.009 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87 | 3.7 | -177.3 | -62.1 | -80.1 | 0 | 0 | 0 | 113.7 | L543 Y561 L592 M614 L615 K681 D683 L688 S720 | L543-F685 HydrophobicContact CD1-CE1 4.26Å; Y561-F685 WeakPolarHBondContact OH-CE2 3.39Å; Y561-F685 WeakPolarHBondContact OH-CZ 3.43Å; L592-F685 HydrophobicContact CD2-CZ 4.47Å; M614-F685 HydrophobicContact CB-CZ 3.99Å; M614-F685 HydrophobicContact CE-CE1 3.83Å; M614-F685 HydrophobicContact CE-CZ 3.82Å; L615-F685 HydrophobicContact CD2-CB 4.21Å; L615-F685 HydrophobicContact CD2-CD1 3.97Å; L615-F685 HydrophobicContact CD2-CD2 3.99Å; L615-F685 HydrophobicContact CD2-CE1 4.42Å; L615-F685 HydrophobicContact CD2-CE2 4.42Å; L615-F685 HydrophobicContact CD2-CG 3.79Å; K681-F685 VanDerWaalsContact O-CD2 3.28Å; K681-F685 WeakPolarHBondContact O-CD2 3.49Å; D683-F685 PolarHBondContact O-N 2.76Å; F685-L688 HydrophobicContact CB-CD1 4.27Å; F685-L688 HydrophobicContact CD1-CD1 3.82Å; F685-S720 WeakPolarHBondContact O-CB 3.38Å; F685-S720 PolarHBondContact O-OG 2.76Å |
| 686 | S | 91.1 | Very high | 94.3 | Very high | 57 Ų | 57 | 20.6 Ų | 20.6 | 40% | 0.399 | 11% | 0.11 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -35.9 | -177.1 | 69 | 0 | 0 | 0 | 0 | 113.9 | D683 L684 S720 K721 | D683-S686 WeakPolarHBondContact O-CB 3.49Å; D683-S686 PolarHBondContact O-N 2.84Å; D683-S686 PolarHBondContact O-OG 2.88Å; L684-S686 VanDerWaalsContact C-N 3.33Å; S686-S720 WeakPolarHBondContact O-CA 3.22Å; S686-K721 PolarHBondContact O-N 2.75Å |
| 687 | A | 90.8 | Very high | 94.3 | Very high | 17 Ų | 17 | 19.4 Ų | 19.4 | 14% | 0.14 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 128 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | K721 L723 | A687-K721 CarbonylContact C-O 3.6Å; A687-K721 VanDerWaalsContact CA-O 3.25Å; A687-K721 WeakPolarHBondContact CA-O 3.48Å; A687-L723 HydrophobicContact CB-CD1 4.43Å |
| 688 | L | 91.9 | Very high | 94.2 | Very high | 1 Ų | 1 | 19.6 Ų | 19.6 | 1% | 0.005 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 155.4 | -167.1 | -64.9 | 173 | 0 | 0 | 0 | 112.3 | R544 L684 F685 I714 K721 L723 | R544-L688 WeakPolarHBondContact O-CA 3.33Å; L684-L688 VanDerWaalsContact O-CD2 3.27Å; L684-L688 WeakPolarHBondContact O-CD2 3.08Å; F685-L688 HydrophobicContact CB-CD1 4.27Å; F685-L688 HydrophobicContact CD1-CD1 3.82Å; L688-I714 HydrophobicContact CD1-CD1 4.19Å; L688-I714 HydrophobicContact CD1-CG2 4.33Å; L688-K721 PolarHBondContact N-O 3.46Å; L688-L723 VanDerWaalsContact C-CB 3.47Å; L688-L723 WeakPolarHBondContact O-CB 3.28Å; L688-L723 PolarHBondContact O-N 3.12Å |
| 689 | H | 93.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 135.9 | 154.8 | -177.4 | 72.9 | 0 | 0 | 0 | 109 | Y521 R544 L723 I977 | Y521-H689 PolarHBondContact O-ND1 2.96Å; R544-H689 HydrophobicContact CB-CB 4.38Å; R544-H689 PolarHBondContact N-O 2.96Å; R544-H689 PolarHBondContact O-N 3.23Å; H689-L723 HydrophobicContact CB-CB 4.14Å; H689-I977 HydrophobicContact CB-CG2 3.74Å |
| 690 | I | 94.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 117.6 | 176.9 | -52.2 | -171.1 | 0 | 0 | 0 | 107.9 | Y521 I522 R523 V541 L543 V707 I710 R711 I714 | Y521-I690 HydrophobicContact CD1-CD1 4.1Å; Y521-I690 HydrophobicContact CD1-CG1 4.13Å; Y521-I690 HydrophobicContact CE1-CD1 3.74Å; Y521-I690 HydrophobicContact CE1-CG1 3.92Å; Y521-I690 PolarHBondContact O-N 3.24Å; I522-I690 CarbonylContact C-O 3.57Å; I522-I690 VanDerWaalsContact CA-O 3.31Å; I522-I690 WeakPolarHBondContact CA-O 3.3Å; I522-I690 HydrophobicContact CG1-CB 4.38Å; R523-I690 PolarHBondContact N-O 2.91Å; V541-I690 HydrophobicContact CG1-CG2 3.8Å; L543-I690 HydrophobicContact CD2-CB 4.28Å; L543-I690 HydrophobicContact CD2-CD1 4.16Å; L543-I690 HydrophobicContact CD2-CG1 3.71Å; L543-I690 HydrophobicContact CD2-CG2 4.13Å; I690-V707 HydrophobicContact CG2-CG1 4.24Å; I690-I710 HydrophobicContact CD1-CG2 4.1Å; I690-R711 HydrophobicContact CD1-CB 4.34Å; I690-I714 HydrophobicContact CD1-CD1 4.14Å |
| 691 | E | 96.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 127.2 | 168.6 | -178.2 | 156.1 | -135.9 | 0 | 0 | 108.5 | R523 M542 R544 I872 Y877 | R523-E691 HydrophobicContact CB-CB 4.42Å; R523-E691 HydrophobicContact CB-CG 4.13Å; R523-E691 WeakPolarHBondContact CD-OE1 3.36Å; R523-E691 IonicContact NH1-OE1 3.5Å; R523-E691 CarbonylContact O-C 3.53Å; R523-E691 WeakPolarHBondContact O-CA 3.35Å; M542-E691 WeakPolarHBondContact CA-O 3.47Å; M542-E691 HydrophobicContact CB-CB 4.46Å; M542-E691 VanDerWaalsContact CB-O 3.3Å; M542-E691 WeakPolarHBondContact CB-O 3.26Å; M542-E691 HydrophobicContact CE-CB 3.76Å; M542-E691 HydrophobicContact CE-CG 3.75Å; M542-E691 WeakPolarHBondContact CE-OE2 3.45Å; M542-E691 PolarHBondContact N-O 3.19Å; M542-E691 PolarHBondContact O-N 2.87Å; R544-E691 IonicContact CZ-OE2 3.65Å; R544-E691 IonicContact NE-OE2 3.94Å; R544-E691 PolarHBondContact NE-OE2 2.88Å; R544-E691 IonicContact NH2-OE2 2.84Å; R544-E691 PolarHBondContact NH2-OE2 3.34Å; E691-I872 HydrophobicContact CG-CG2 3.87Å; E691-Y877 PolarHBondContact OE1-OH 3.18Å |
| 692 | A | 98 | Very high | 94.6 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 154.2 | -168.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | R523 L524 W525 Q540 V541 V707 | R523-A692 PolarHBondContact O-N 2.8Å; L524-A692 HydrophobicContact CD1-CB 4.19Å; W525-A692 PolarHBondContact N-O 2.83Å; Q540-A692 CarbonylContact O-C 3.6Å; Q540-A692 WeakPolarHBondContact O-CA 3.42Å; Q540-A692 WeakPolarHBondContact O-CB 3.25Å; V541-A692 HydrophobicContact CG2-CB 4.35Å; A692-V707 HydrophobicContact CB-CG1 4.06Å; A692-V707 HydrophobicContact CB-CG2 3.9Å |
| 693 | L | 98.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 125.9 | 171 | 173.6 | 64.5 | 0 | 0 | 0 | 108.9 | P513 W525 V539 Q540 H695 W869 I872 | P513-L693 HydrophobicContact CB-CD1 4.07Å; P513-L693 HydrophobicContact CG-CD1 4.33Å; W525-L693 HydrophobicContact CB-CD1 3.9Å; W525-L693 CarbonylContact O-C 3.48Å; W525-L693 VanDerWaalsContact O-CA 3.31Å; W525-L693 WeakPolarHBondContact O-CA 3.43Å; V539-L693 WeakPolarHBondContact CA-O 3.44Å; Q540-L693 HydrophobicContact CB-CB 4.42Å; Q540-L693 PolarHBondContact N-O 3.48Å; Q540-L693 PolarHBondContact O-N 2.85Å; L693-H695 HydrophobicContact CD1-CB 4.43Å; L693-H695 HydrophobicContact CG-CB 4.38Å; L693-W869 HydrophobicContact CB-CE3 3.61Å; L693-W869 HydrophobicContact CB-CZ3 3.66Å; L693-W869 HydrophobicContact CD2-CB 4.47Å; L693-W869 HydrophobicContact CD2-CE3 4.23Å; L693-I872 HydrophobicContact CB-CD1 4.02Å; L693-I872 HydrophobicContact CD1-CD1 4.37Å; L693-I872 HydrophobicContact CD2-CD1 4.3Å; L693-I872 HydrophobicContact CG-CD1 4.46Å |
| 694 | V | 98.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 118.1 | 166.6 | 179.2 | 0 | 0 | 0 | 0 | 108.4 | L524 W525 Y526 K527 V538 V539 A698 A703 V707 | L524-V694 HydrophobicContact CD1-CB 4.37Å; L524-V694 HydrophobicContact CD1-CG2 3.83Å; W525-V694 PolarHBondContact O-N 3.37Å; Y526-V694 WeakPolarHBondContact CA-O 3.46Å; Y526-V694 HydrophobicContact CD2-CG1 4.49Å; K527-V694 PolarHBondContact N-O 2.97Å; K527-V694 VanDerWaalsContact N-O 3.1Å; V538-V694 WeakPolarHBondContact O-CA 3.46Å; V539-V694 HydrophobicContact CG1-CG2 4.26Å; V539-V694 HydrophobicContact CG2-CG1 4.43Å; V539-V694 HydrophobicContact CG2-CG2 4.23Å; V694-A698 HydrophobicContact CG1-CB 4.37Å; V694-A703 HydrophobicContact CB-CB 3.76Å; V694-A703 HydrophobicContact CG1-CB 3.61Å; V694-A703 HydrophobicContact CG2-CB 4.12Å; V694-V707 HydrophobicContact CG2-CG2 4.02Å |
| 695 | H | 96.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 121.2 | -178.3 | -178.1 | -147.7 | 0 | 0 | 0 | 110.7 | K527 V538 L693 S865 Y868 | K527-H695 WeakPolarHBondContact O-CA 3.29Å; K527-H695 PolarHBondContact O-CD2 2.84Å; V538-H695 PolarHBondContact N-O 3.45Å; V538-H695 PolarHBondContact O-N 3.15Å; L693-H695 HydrophobicContact CD1-CB 4.43Å; L693-H695 HydrophobicContact CG-CB 4.38Å; H695-S865 PolarHBondContact ND1-OG 3.15Å; H695-Y868 AromaticContact CE1-CE2 3.69Å |
| 696 | G | 96.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 148.6 | -155.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | K527 D529 A698 | K527-G696 PolarHBondContact O-N 3.48Å; D529-G696 PolarHBondContact N-O 3.12Å; G696-A698 PolarHBondContact O-N 3.22Å |
| 697 | N | 96.4 | Very high | 95.9 | Very high | 8 Ų | 8 | 19.7 Ų | 19.7 | 4% | 0.043 | 11% | 0.108 | C | C | . | . | S | Bend | trans | -74.7 | 68.4 | 172.1 | -170.1 | 40.1 | 0 | 0 | 0 | 111.8 | D502 L503 R504 L534 K536 N600 | D502-N697 PolarHBondContact O-ND2 2.87Å; L503-N697 WeakPolarHBondContact CA-OD1 3.39Å; R504-N697 WeakPolarHBondContact CG-OD1 3.3Å; R504-N697 PolarHBondContact N-OD1 2.9Å; L534-N697 WeakPolarHBondContact O-CB 3.33Å; K536-N697 WeakPolarHBondContact O-CB 3.47Å; K536-N697 PolarHBondContact O-N 3.5Å; N600-N697 PolarHBondContact ND2-O 2.78Å; N600-N697 PolarHBondContact OD1-ND2 3.38Å |
| 698 | A | 95.6 | Very high | 96.1 | Very high | 4 Ų | 4 | 25.1 Ų | 25.1 | 3% | 0.033 | 13% | 0.125 | C | C | . | . | trans | -140.6 | 153.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | Y526 K528 V694 G696 E702 | Y526-A698 PolarHBondContact OH-O 3.44Å; K528-A698 WeakPolarHBondContact CE-O 3.45Å; V694-A698 HydrophobicContact CG1-CB 4.37Å; G696-A698 PolarHBondContact O-N 3.22Å; A698-E702 HydrophobicContact CB-CB 4.2Å | ||
| 699 | T | 95 | Very high | 96.3 | Very high | 30 Ų | 30 | 26.4 Ų | 26.4 | 18% | 0.184 | 13% | 0.131 | C | C | . | . | trans | -80.4 | 168.3 | 164.1 | 50.7 | 0 | 0 | 0 | 0 | 110.9 | R504 E701 E702 A703 | R504-T699 HydrophobicContact CB-CG2 4.29Å; R504-T699 HydrophobicContact CG-CG2 4.38Å; T699-E701 VanDerWaalsContact C-N 3.3Å; T699-E701 WeakPolarHBondContact CB-OE2 3.3Å; T699-E701 PolarHBondContact O-N 2.72Å; T699-E702 PolarHBondContact N-OE2 3.06Å; T699-E702 PolarHBondContact O-N 3.22Å; T699-E702 VanDerWaalsContact OG1-CB 3.31Å; T699-E702 WeakPolarHBondContact OG1-CB 3.42Å; T699-E702 VanDerWaalsContact OG1-CD 3.28Å; T699-E702 WeakPolarHBondContact OG1-CG 3.2Å; T699-E702 PolarHBondContact OG1-N 3.01Å; T699-E702 PolarHBondContact OG1-OE2 3.31Å; T699-A703 WeakPolarHBondContact O-CB 3.42Å; T699-A703 PolarHBondContact O-N 2.92Å | ||
| 700 | E | 95.1 | Very high | 96.3 | Very high | 52 Ų | 52 | 26.5 Ų | 26.5 | 24% | 0.243 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -62.8 | -40.7 | 174.2 | -177 | 168.5 | 132.9 | 0 | 0 | 110.8 | R510 V516 Y526 E702 A703 V704 | R510-E700 IonicContact CZ-OE2 2.94Å; R510-E700 IonicContact NH1-OE2 3.78Å; R510-E700 PolarHBondContact NH1-OE2 2.87Å; R510-E700 IonicContact NH2-OE2 2.71Å; R510-E700 PolarHBondContact NH2-OE2 2.85Å; V516-E700 HydrophobicContact CB-CG 4.16Å; V516-E700 VanDerWaalsContact CG1-CD 3.44Å; V516-E700 HydrophobicContact CG1-CG 4.02Å; V516-E700 VanDerWaalsContact CG1-OE2 3.27Å; V516-E700 WeakPolarHBondContact CG1-OE2 3.45Å; V516-E700 HydrophobicContact CG2-CG 4.37Å; Y526-E700 HydrophobicContact CD1-CB 3.96Å; Y526-E700 HydrophobicContact CD1-CG 4.08Å; Y526-E700 HydrophobicContact CE1-CB 3.67Å; Y526-E700 HydrophobicContact CE1-CG 4.3Å; Y526-E700 PolarHBondContact OH-N 3.05Å; E700-E702 PolarHBondContact O-N 3.21Å; E700-A703 WeakPolarHBondContact O-CB 3.19Å; E700-A703 PolarHBondContact O-N 3.03Å; E700-A703 VanDerWaalsContact O-N 3.16Å; E700-V704 HydrophobicContact CG-CG2 4.26Å; E700-V704 WeakPolarHBondContact O-CB 3.44Å; E700-V704 VanDerWaalsContact O-CG2 3.29Å; E700-V704 WeakPolarHBondContact O-CG2 3.47Å; E700-V704 PolarHBondContact O-N 3.01Å |
| 701 | E | 95.8 | Very high | 96.3 | Very high | 132 Ų | 132 | 30 Ų | 30 | 62% | 0.617 | 15% | 0.145 | S | C | * | . | H | α-helix | trans | -64.5 | -41.2 | 178.8 | -61.3 | 77.1 | -172.2 | 0 | 0 | 111.4 | T699 S705 | T699-E701 VanDerWaalsContact C-N 3.3Å; T699-E701 WeakPolarHBondContact CB-OE2 3.3Å; T699-E701 PolarHBondContact O-N 2.72Å; E701-S705 VanDerWaalsContact O-CB 3.26Å; E701-S705 WeakPolarHBondContact O-CB 3.37Å; E701-S705 PolarHBondContact O-N 3.39Å; E701-S705 PolarHBondContact O-OG 3.32Å |
| 702 | E | 96.3 | Very high | 96.1 | Very high | 58 Ų | 58 | 34.3 Ų | 34.3 | 27% | 0.271 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -63.3 | -42.4 | 171.7 | -76.3 | 167.8 | 130.8 | 0 | 0 | 111.2 | R504 A698 T699 E700 S705 L706 | R504-E702 IonicContact CZ-OE1 3.99Å; R504-E702 VanDerWaalsContact CZ-OE1 3.25Å; R504-E702 IonicContact NE-OE1 3.38Å; R504-E702 PolarHBondContact NE-OE1 2.98Å; R504-E702 IonicContact NE-OE2 2.75Å; R504-E702 PolarHBondContact NE-OE2 3.05Å; R504-E702 VanDerWaalsContact NE-OE2 3.08Å; R504-E702 IonicContact NH2-OE1 2.92Å; R504-E702 PolarHBondContact NH2-OE1 3.01Å; A698-E702 HydrophobicContact CB-CB 4.2Å; T699-E702 PolarHBondContact N-OE2 3.06Å; T699-E702 PolarHBondContact O-N 3.22Å; T699-E702 VanDerWaalsContact OG1-CB 3.31Å; T699-E702 WeakPolarHBondContact OG1-CB 3.42Å; T699-E702 VanDerWaalsContact OG1-CD 3.28Å; T699-E702 WeakPolarHBondContact OG1-CG 3.2Å; T699-E702 PolarHBondContact OG1-N 3.01Å; T699-E702 PolarHBondContact OG1-OE2 3.31Å; E700-E702 PolarHBondContact O-N 3.21Å; E702-S705 PolarHBondContact O-N 2.81Å; E702-L706 WeakPolarHBondContact O-CB 3.47Å; E702-L706 VanDerWaalsContact O-CG 3.27Å; E702-L706 WeakPolarHBondContact O-CG 3.33Å; E702-L706 PolarHBondContact O-N 3.43Å |
| 703 | A | 96.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.8 | -46.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112.6 | L524 Y526 V694 T699 E700 S705 L706 V707 | L524-A703 HydrophobicContact CD2-CB 4.42Å; L524-A703 WeakPolarHBondContact CD2-O 3.43Å; Y526-A703 HydrophobicContact CD2-CB 3.52Å; Y526-A703 HydrophobicContact CE2-CB 4.02Å; Y526-A703 HydrophobicContact CG-CB 4.16Å; V694-A703 HydrophobicContact CB-CB 3.76Å; V694-A703 HydrophobicContact CG1-CB 3.61Å; V694-A703 HydrophobicContact CG2-CB 4.12Å; T699-A703 WeakPolarHBondContact O-CB 3.42Å; T699-A703 PolarHBondContact O-N 2.92Å; E700-A703 WeakPolarHBondContact O-CB 3.19Å; E700-A703 PolarHBondContact O-N 3.03Å; E700-A703 VanDerWaalsContact O-N 3.16Å; A703-S705 VanDerWaalsContact C-N 3.31Å; A703-S705 PolarHBondContact O-N 2.96Å; A703-L706 PolarHBondContact O-N 2.95Å; A703-V707 PolarHBondContact O-N 2.98Å |
| 704 | V | 97.5 | Very high | 95.6 | Very high | 18 Ų | 18 | 34.4 Ų | 34.4 | 11% | 0.109 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -60.4 | -42.9 | 174.6 | 170.7 | 0 | 0 | 0 | 0 | 110.4 | V516 V517 L524 E700 V707 R708 | V516-V704 HydrophobicContact CG2-CG2 4.17Å; V517-V704 HydrophobicContact CG2-CG1 4.29Å; V517-V704 HydrophobicContact CG2-CG2 3.96Å; L524-V704 HydrophobicContact CD2-CB 4.41Å; L524-V704 HydrophobicContact CD2-CG2 3.98Å; E700-V704 HydrophobicContact CG-CG2 4.26Å; E700-V704 WeakPolarHBondContact O-CB 3.44Å; E700-V704 VanDerWaalsContact O-CG2 3.29Å; E700-V704 WeakPolarHBondContact O-CG2 3.47Å; E700-V704 PolarHBondContact O-N 3.01Å; V704-V707 PolarHBondContact O-N 2.91Å; V704-R708 HydrophobicContact CG1-CG 4.28Å; V704-R708 WeakPolarHBondContact O-CB 3.24Å; V704-R708 WeakPolarHBondContact O-CG 3.24Å; V704-R708 PolarHBondContact O-N 2.96Å |
| 705 | S | 97.4 | Very high | 95.2 | Very high | 73 Ų | 73 | 38.3 Ų | 38.3 | 51% | 0.51 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -64.1 | -44.1 | 177.8 | -59.5 | 0 | 0 | 0 | 0 | 112.2 | E701 E702 A703 V707 R708 L709 | E701-S705 VanDerWaalsContact O-CB 3.26Å; E701-S705 WeakPolarHBondContact O-CB 3.37Å; E701-S705 PolarHBondContact O-N 3.39Å; E701-S705 PolarHBondContact O-OG 3.32Å; E702-S705 PolarHBondContact O-N 2.81Å; A703-S705 VanDerWaalsContact C-N 3.31Å; A703-S705 PolarHBondContact O-N 2.96Å; S705-V707 VanDerWaalsContact C-N 3.31Å; S705-V707 PolarHBondContact O-N 3.36Å; S705-R708 PolarHBondContact O-N 2.93Å; S705-L709 VanDerWaalsContact O-CB 3.27Å; S705-L709 WeakPolarHBondContact O-CB 3.39Å; S705-L709 PolarHBondContact O-N 3.46Å |
| 706 | L | 96.8 | Very high | 94.8 | Very high | 19 Ų | 19 | 45 Ų | 45 | 10% | 0.099 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.3 | -38.2 | 178.5 | -76.8 | 165.5 | 0 | 0 | 0 | 112.8 | V539 L607 E702 A703 | V539-L706 HydrophobicContact CG2-CD1 4.14Å; L607-L706 HydrophobicContact CD2-CB 4.23Å; L607-L706 HydrophobicContact CD2-CD2 3.95Å; L607-L706 WeakPolarHBondContact CD2-O 3.48Å; E702-L706 WeakPolarHBondContact O-CB 3.47Å; E702-L706 VanDerWaalsContact O-CG 3.27Å; E702-L706 WeakPolarHBondContact O-CG 3.33Å; E702-L706 PolarHBondContact O-N 3.43Å; A703-L706 PolarHBondContact O-N 2.95Å |
| 707 | V | 96.9 | Very high | 94.4 | Very high | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.006 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -87.9 | -32.3 | -179.2 | 179.2 | 0 | 0 | 0 | 0 | 112.6 | I522 L524 I690 A692 V694 A703 V704 S705 L709 I710 R711 | I522-V707 HydrophobicContact CD1-CG1 4.48Å; I522-V707 HydrophobicContact CG2-CG1 4Å; L524-V707 HydrophobicContact CD1-CB 4.41Å; L524-V707 HydrophobicContact CD1-CG2 3.76Å; L524-V707 HydrophobicContact CD2-CB 4.31Å; L524-V707 HydrophobicContact CD2-CG2 4.35Å; I690-V707 HydrophobicContact CG2-CG1 4.24Å; A692-V707 HydrophobicContact CB-CG1 4.06Å; A692-V707 HydrophobicContact CB-CG2 3.9Å; V694-V707 HydrophobicContact CG2-CG2 4.02Å; A703-V707 PolarHBondContact O-N 2.98Å; V704-V707 PolarHBondContact O-N 2.91Å; S705-V707 VanDerWaalsContact C-N 3.31Å; S705-V707 PolarHBondContact O-N 3.36Å; V707-L709 VanDerWaalsContact C-N 3.28Å; V707-L709 PolarHBondContact O-N 2.87Å; V707-I710 WeakPolarHBondContact O-CB 3.15Å; V707-I710 PolarHBondContact O-N 3.19Å; V707-R711 PolarHBondContact O-N 2.91Å |
| 708 | R | 95.7 | Very high | 93.8 | Very high | 131 Ų | 131 | 52.2 Ų | 52.2 | 49% | 0.494 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -62.1 | -36.7 | 168.8 | -76.3 | -178 | 177.5 | 166.1 | 1.6 | 111.9 | V704 S705 I710 R711 E712 | V704-R708 HydrophobicContact CG1-CG 4.28Å; V704-R708 WeakPolarHBondContact O-CB 3.24Å; V704-R708 WeakPolarHBondContact O-CG 3.24Å; V704-R708 PolarHBondContact O-N 2.96Å; S705-R708 PolarHBondContact O-N 2.93Å; R708-I710 VanDerWaalsContact C-N 3.31Å; R708-I710 PolarHBondContact O-N 2.9Å; R708-R711 CarbonylContact O-C 3.58Å; R708-R711 WeakPolarHBondContact O-CB 3.35Å; R708-R711 PolarHBondContact O-N 2.71Å; R708-R711 VanDerWaalsContact O-N 3.12Å; R708-E712 WeakPolarHBondContact O-CG 3.07Å; R708-E712 PolarHBondContact O-N 2.85Å |
| 709 | L | 95.1 | Very high | 93.2 | Very high | 28 Ų | 28 | 56.6 Ų | 56.6 | 15% | 0.147 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -54.8 | -43.5 | 173.4 | -179.1 | 60.1 | 0 | 0 | 0 | 112.5 | E608 S705 V707 R711 E712 V713 | E608-L709 HydrophobicContact CB-CD2 4.08Å; E608-L709 HydrophobicContact CB-CG 4.44Å; E608-L709 HydrophobicContact CG-CD1 4.3Å; S705-L709 VanDerWaalsContact O-CB 3.27Å; S705-L709 WeakPolarHBondContact O-CB 3.39Å; S705-L709 PolarHBondContact O-N 3.46Å; V707-L709 VanDerWaalsContact C-N 3.28Å; V707-L709 PolarHBondContact O-N 2.87Å; L709-R711 PolarHBondContact O-N 2.83Å; L709-E712 PolarHBondContact O-N 3.2Å; L709-V713 HydrophobicContact CD1-CG2 4.13Å; L709-V713 WeakPolarHBondContact O-CB 3.49Å; L709-V713 VanDerWaalsContact O-CG2 3.23Å; L709-V713 WeakPolarHBondContact O-CG2 3.41Å; L709-V713 PolarHBondContact O-N 3.34Å |
| 710 | I | 94.5 | Very high | 93 | Very high | 3 Ų | 3 | 55.5 Ų | 55.5 | 2% | 0.015 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59.7 | -49.1 | 176.2 | -54.2 | 175 | 0 | 0 | 0 | 110.3 | V541 L607 V611 I690 V707 R708 V713 I714 | V541-I710 HydrophobicContact CB-CD1 4.39Å; V541-I710 HydrophobicContact CG1-CD1 3.97Å; V541-I710 HydrophobicContact CG2-CD1 3.59Å; L607-I710 HydrophobicContact CD1-CD1 4.1Å; L607-I710 HydrophobicContact CD1-CG1 4.24Å; L607-I710 HydrophobicContact CD2-CD1 4.24Å; L607-I710 HydrophobicContact CD2-CG1 4.15Å; L607-I710 HydrophobicContact CG-CD1 4.5Å; L607-I710 HydrophobicContact CG-CG1 4.25Å; V611-I710 HydrophobicContact CG1-CG2 4.13Å; V611-I710 HydrophobicContact CG2-CG1 4.25Å; V611-I710 HydrophobicContact CG2-CG2 4.04Å; I690-I710 HydrophobicContact CD1-CG2 4.1Å; V707-I710 WeakPolarHBondContact O-CB 3.15Å; V707-I710 PolarHBondContact O-N 3.19Å; R708-I710 VanDerWaalsContact C-N 3.31Å; R708-I710 PolarHBondContact O-N 2.9Å; I710-V713 PolarHBondContact O-N 2.94Å; I710-I714 HydrophobicContact CG2-CD1 4.02Å; I710-I714 VanDerWaalsContact O-CG1 3.3Å; I710-I714 WeakPolarHBondContact O-CG1 3.27Å; I710-I714 PolarHBondContact O-N 2.71Å; I710-I714 VanDerWaalsContact O-N 3.07Å |
| 711 | R | 93.1 | Very high | 92.8 | Very high | 72 Ų | 72 | 60 Ų | 60 | 27% | 0.272 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -59.3 | -48.8 | 177.2 | 169.9 | 176.7 | 172.9 | 174.9 | 2.6 | 111.3 | D519 Y521 I522 I690 V707 R708 L709 I714 F715 | D519-R711 IonicContact OD1-NH1 3.72Å; D519-R711 IonicContact OD2-CZ 3.99Å; D519-R711 IonicContact OD2-NH1 2.74Å; D519-R711 PolarHBondContact OD2-NH1 2.91Å; Y521-R711 HydrophobicContact CD1-CG 4.11Å; Y521-R711 HydrophobicContact CE1-CG 4.23Å; I522-R711 HydrophobicContact CD1-CB 3.88Å; I522-R711 VanDerWaalsContact CD1-CD 3.5Å; I522-R711 HydrophobicContact CD1-CG 4.28Å; I690-R711 HydrophobicContact CD1-CB 4.34Å; V707-R711 PolarHBondContact O-N 2.91Å; R708-R711 CarbonylContact O-C 3.58Å; R708-R711 WeakPolarHBondContact O-CB 3.35Å; R708-R711 PolarHBondContact O-N 2.71Å; R708-R711 VanDerWaalsContact O-N 3.12Å; L709-R711 PolarHBondContact O-N 2.83Å; R711-I714 PolarHBondContact O-N 3.44Å; R711-F715 HydrophobicContact CG-CD2 3.48Å; R711-F715 VanDerWaalsContact CG-CD2 3.48Å; R711-F715 HydrophobicContact CG-CE2 3.58Å; R711-F715 VanDerWaalsContact O-CD2 3.28Å; R711-F715 WeakPolarHBondContact O-CD2 3.18Å; R711-F715 PolarHBondContact O-N 3.07Å |
| 712 | E | 93 | Very high | 92.5 | Very high | 92 Ų | 92 | 55.6 Ų | 55.6 | 43% | 0.43 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -59.5 | -48.2 | 179.1 | -74.8 | 178 | -153.9 | 0 | 0 | 112 | R708 L709 I714 F715 R716 | R708-E712 WeakPolarHBondContact O-CG 3.07Å; R708-E712 PolarHBondContact O-N 2.85Å; L709-E712 PolarHBondContact O-N 3.2Å; E712-I714 VanDerWaalsContact C-N 3.27Å; E712-I714 PolarHBondContact O-N 2.65Å; E712-F715 PolarHBondContact O-N 2.95Å; E712-R716 WeakPolarHBondContact O-CB 3.3Å; E712-R716 WeakPolarHBondContact O-CG 3.26Å; E712-R716 PolarHBondContact O-N 3.06Å; E712-R716 IonicContact OE2-CZ 2.75Å; E712-R716 IonicContact OE2-NH2 2.72Å; E712-R716 PolarHBondContact OE2-NH2 3.37Å |
| 713 | V | 93.3 | Very high | 92.3 | Very high | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.006 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.1 | -37.5 | 179.8 | 176.3 | 0 | 0 | 0 | 0 | 110.8 | E608 V611 E612 L615 L709 I710 N717 | E608-V713 HydrophobicContact CG-CG2 4.1Å; V611-V713 HydrophobicContact CB-CG1 4.31Å; V611-V713 HydrophobicContact CG1-CB 3.96Å; V611-V713 HydrophobicContact CG1-CG1 3.79Å; E612-V713 HydrophobicContact CB-CG1 4.46Å; E612-V713 HydrophobicContact CG-CG1 3.9Å; L615-V713 HydrophobicContact CD1-CG1 3.91Å; L615-V713 WeakPolarHBondContact CD1-O 3.28Å; L709-V713 HydrophobicContact CD1-CG2 4.13Å; L709-V713 WeakPolarHBondContact O-CB 3.49Å; L709-V713 VanDerWaalsContact O-CG2 3.23Å; L709-V713 WeakPolarHBondContact O-CG2 3.41Å; L709-V713 PolarHBondContact O-N 3.34Å; I710-V713 PolarHBondContact O-N 2.94Å; V713-N717 PolarHBondContact O-N 3.24Å; V713-N717 PolarHBondContact O-ND2 3.1Å |
| 714 | I | 92.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.3 | -54.9 | 171 | -67.4 | 165.2 | 0 | 0 | 0 | 110.9 | V611 L615 L688 I690 I710 R711 E712 R716 N717 R718 | V611-I714 HydrophobicContact CG1-CG1 4.3Å; L615-I714 HydrophobicContact CD1-CB 4.41Å; L615-I714 HydrophobicContact CD1-CG1 3.98Å; L615-I714 HydrophobicContact CD2-CG1 4.4Å; L688-I714 HydrophobicContact CD1-CD1 4.19Å; L688-I714 HydrophobicContact CD1-CG2 4.33Å; I690-I714 HydrophobicContact CD1-CD1 4.14Å; I710-I714 HydrophobicContact CG2-CD1 4.02Å; I710-I714 VanDerWaalsContact O-CG1 3.3Å; I710-I714 WeakPolarHBondContact O-CG1 3.27Å; I710-I714 PolarHBondContact O-N 2.71Å; I710-I714 VanDerWaalsContact O-N 3.07Å; R711-I714 PolarHBondContact O-N 3.44Å; E712-I714 VanDerWaalsContact C-N 3.27Å; E712-I714 PolarHBondContact O-N 2.65Å; I714-R716 PolarHBondContact O-N 2.99Å; I714-N717 PolarHBondContact O-N 3.08Å; I714-R718 PolarHBondContact O-N 3.22Å |
| 715 | F | 90.2 | Very high | 91.4 | Very high | 82 Ų | 82 | 58 Ų | 58 | 36% | 0.36 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -63.8 | -34.7 | -177.7 | -84.5 | -70.1 | 0 | 0 | 0 | 113.8 | Y521 R711 E712 N717 R718 S720 | Y521-F715 HydrophobicContact CD1-CE2 4.21Å; Y521-F715 HydrophobicContact CD2-CE2 4.26Å; Y521-F715 HydrophobicContact CD2-CZ 4.06Å; Y521-F715 AromaticContact CE1-CE2 3.96Å; Y521-F715 HydrophobicContact CE1-CE2 3.96Å; Y521-F715 HydrophobicContact CE2-CE2 4.04Å; Y521-F715 AromaticContact CE2-CZ 3.79Å; Y521-F715 HydrophobicContact CE2-CZ 3.79Å; Y521-F715 HydrophobicContact CG-CE2 4.35Å; Y521-F715 AromaticContact CZ-CE2 3.88Å; R711-F715 HydrophobicContact CG-CD2 3.48Å; R711-F715 VanDerWaalsContact CG-CD2 3.48Å; R711-F715 HydrophobicContact CG-CE2 3.58Å; R711-F715 VanDerWaalsContact O-CD2 3.28Å; R711-F715 WeakPolarHBondContact O-CD2 3.18Å; R711-F715 PolarHBondContact O-N 3.07Å; E712-F715 PolarHBondContact O-N 2.95Å; F715-N717 PolarHBondContact O-N 3.12Å; F715-R718 WeakPolarHBondContact CA-O 3.42Å; F715-S720 WeakPolarHBondContact CE1-O 3.23Å |
| 716 | R | 88.4 | Confident | 90.8 | Very high | 141 Ų | 141 | 59.8 Ų | 59.8 | 53% | 0.532 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -60.8 | -27.8 | 173.5 | -72.6 | 177.2 | -139.2 | 159.9 | 3 | 112.3 | E608 E712 I714 | E608-R716 IonicContact OE1-NH1 3.12Å; E608-R716 PolarHBondContact OE1-NH1 3.09Å; E712-R716 WeakPolarHBondContact O-CB 3.3Å; E712-R716 WeakPolarHBondContact O-CG 3.26Å; E712-R716 PolarHBondContact O-N 3.06Å; E712-R716 IonicContact OE2-CZ 2.75Å; E712-R716 IonicContact OE2-NH2 2.72Å; E712-R716 PolarHBondContact OE2-NH2 3.37Å; I714-R716 PolarHBondContact O-N 2.99Å |
| 717 | N | 86.7 | Confident | 90.4 | Very high | 70 Ų | 70 | 62.6 Ų | 62.6 | 37% | 0.374 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -111 | -21.2 | -173.1 | -74.2 | -85.1 | 0 | 0 | 0 | 114.7 | L615 V713 I714 F715 | L615-N717 HydrophobicContact CB-CB 4.12Å; L615-N717 HydrophobicContact CD1-CB 4.16Å; V713-N717 PolarHBondContact O-N 3.24Å; V713-N717 PolarHBondContact O-ND2 3.1Å; I714-N717 PolarHBondContact O-N 3.08Å; F715-N717 PolarHBondContact O-N 3.12Å |
| 718 | R | 83.3 | Confident | 89.8 | Confident | 89 Ų | 89 | 63.4 Ų | 63.4 | 34% | 0.336 | 32% | 0.322 | S | S | . | . | trans | -149.2 | 139 | -175.6 | -71.8 | -63.1 | -178 | -99 | 11.3 | 111.6 | L615 I714 F715 S720 | L615-R718 HydrophobicContact CD2-CG 4.03Å; I714-R718 PolarHBondContact O-N 3.22Å; F715-R718 WeakPolarHBondContact CA-O 3.42Å; R718-S720 PolarHBondContact O-N 3.45Å | ||
| 719 | A | 83.6 | Confident | 88.9 | Confident | 96 Ų | 96 | 58.5 Ų | 58.5 | 79% | 0.793 | 31% | 0.308 | S | S | * | . | trans | -74.9 | 68.3 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 720 | S | 90.3 | Very high | 88.2 | Confident | 7 Ų | 7 | 61.6 Ų | 61.6 | 5% | 0.049 | 32% | 0.324 | C | S | . | . | trans | -75 | 148.9 | 178.2 | -163.5 | 0 | 0 | 0 | 0 | 111.5 | Y521 F685 S686 F715 R718 | Y521-S720 WeakPolarHBondContact OH-CB 3.46Å; Y521-S720 PolarHBondContact OH-OG 3.39Å; F685-S720 WeakPolarHBondContact O-CB 3.38Å; F685-S720 PolarHBondContact O-OG 2.76Å; S686-S720 WeakPolarHBondContact O-CA 3.22Å; F715-S720 WeakPolarHBondContact CE1-O 3.23Å; R718-S720 PolarHBondContact O-N 3.45Å | ||
| 721 | K | 90.8 | Very high | 87.6 | Confident | 146 Ų | 146 | 61.9 Ų | 61.9 | 64% | 0.635 | 33% | 0.325 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 151.6 | 177.8 | -63.1 | -177.9 | -177 | 179.7 | 0 | 111.6 | S686 A687 L688 L723 | S686-K721 PolarHBondContact O-N 2.75Å; A687-K721 CarbonylContact C-O 3.6Å; A687-K721 VanDerWaalsContact CA-O 3.25Å; A687-K721 WeakPolarHBondContact CA-O 3.48Å; L688-K721 PolarHBondContact N-O 3.46Å; K721-L723 PolarHBondContact O-N 3.26Å |
| 722 | P | 91.1 | Very high | 87.6 | Confident | 41 Ų | 41 | 62.5 Ų | 62.5 | 27% | 0.266 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.9 | 136.5 | 168 | -17.5 | 27.6 | 0 | 0 | 0 | 111 | D520 Y521 | D520-P722 HydrophobicContact CB-CB 4.05Å; D520-P722 HydrophobicContact CB-CG 4.13Å; D520-P722 WeakPolarHBondContact OD2-CG 3.38Å; Y521-P722 HydrophobicContact CD2-CB 4.19Å; Y521-P722 HydrophobicContact CD2-CG 4.05Å |
| 723 | L | 91.2 | Very high | 87.7 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 31% | 0.307 | C | S | . | . | P | Polyproline II helix | trans | -77.6 | 127.5 | 174.1 | -173.6 | 70.3 | 0 | 0 | 0 | 110.2 | R544 P546 A687 L688 H689 K721 Q727 V728 G978 | R544-L723 HydrophobicContact CB-CD2 4.07Å; P546-L723 HydrophobicContact CG-CD1 4.18Å; A687-L723 HydrophobicContact CB-CD1 4.43Å; L688-L723 VanDerWaalsContact C-CB 3.47Å; L688-L723 WeakPolarHBondContact O-CB 3.28Å; L688-L723 PolarHBondContact O-N 3.12Å; H689-L723 HydrophobicContact CB-CB 4.14Å; K721-L723 PolarHBondContact O-N 3.26Å; L723-Q727 HydrophobicContact CD1-CB 3.56Å; L723-Q727 HydrophobicContact CD1-CG 4.43Å; L723-Q727 HydrophobicContact CG-CB 4.11Å; L723-V728 HydrophobicContact CD2-CG2 3.98Å; L723-V728 HydrophobicContact CG-CG2 4.47Å; L723-G978 VanDerWaalsContact O-CA 3.25Å; L723-G978 WeakPolarHBondContact O-CA 3.1Å |
| 724 | L | 89 | Confident | 87.8 | Confident | 73 Ų | 73 | 58.2 Ų | 58.2 | 38% | 0.382 | 31% | 0.307 | S | S | . | . | P | Polyproline II helix | trans | -75.1 | 148.6 | 178.2 | -58.7 | 173.4 | 0 | 0 | 0 | 111.4 | S726 Q727 | L724-S726 PolarHBondContact O-N 2.97Å; L724-S726 VanDerWaalsContact O-N 3.09Å; L724-Q727 HydrophobicContact CB-CG 4.17Å; L724-Q727 WeakPolarHBondContact O-CB 3.49Å; L724-Q727 PolarHBondContact O-N 3.22Å |
| 725 | A | 86 | Confident | 88 | Confident | 52 Ų | 52 | 60.6 Ų | 60.6 | 43% | 0.43 | 32% | 0.318 | S | S | . | . | G | 310 helix | trans | -47.2 | -42.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q727 V728 P976 I977 | A725-Q727 VanDerWaalsContact C-N 3.25Å; A725-Q727 PolarHBondContact O-N 2.75Å; A725-V728 PolarHBondContact O-N 3.1Å; A725-P976 HydrophobicContact CB-CB 4.47Å; A725-I977 VanDerWaalsContact CA-O 3.26Å; A725-I977 WeakPolarHBondContact CA-O 3.16Å; A725-I977 VanDerWaalsContact CB-O 3.24Å; A725-I977 WeakPolarHBondContact CB-O 3.35Å; A725-I977 PolarHBondContact N-O 3.09Å |
| 726 | S | 86.5 | Confident | 88.3 | Confident | 111 Ų | 111 | 56.7 Ų | 56.7 | 78% | 0.776 | 30% | 0.301 | S | S | * | . | G | 310 helix | trans | -71.7 | -14.3 | -178.8 | 54.2 | 0 | 0 | 0 | 0 | 114.5 | L724 | L724-S726 PolarHBondContact O-N 2.97Å; L724-S726 VanDerWaalsContact O-N 3.09Å |
| 727 | Q | 87.6 | Confident | 88.5 | Confident | 79 Ų | 79 | 51.3 Ų | 51.3 | 37% | 0.369 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -92.2 | -10 | 177.2 | -59.7 | 177 | -66.6 | 0 | 0 | 112.6 | L723 L724 A725 P729 | L723-Q727 HydrophobicContact CD1-CB 3.56Å; L723-Q727 HydrophobicContact CD1-CG 4.43Å; L723-Q727 HydrophobicContact CG-CB 4.11Å; L724-Q727 HydrophobicContact CB-CG 4.17Å; L724-Q727 WeakPolarHBondContact O-CB 3.49Å; L724-Q727 PolarHBondContact O-N 3.22Å; A725-Q727 VanDerWaalsContact C-N 3.25Å; A725-Q727 PolarHBondContact O-N 2.75Å; Q727-P729 WeakPolarHBondContact O-CD 3.25Å |
| 728 | V | 84.7 | Confident | 88.8 | Confident | 17 Ų | 17 | 51 Ų | 51 | 10% | 0.103 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -71.3 | 115.5 | 178.5 | -177.5 | 0 | 0 | 0 | 0 | 108.9 | L723 A725 L730 I977 | L723-V728 HydrophobicContact CD2-CG2 3.98Å; L723-V728 HydrophobicContact CG-CG2 4.47Å; A725-V728 PolarHBondContact O-N 3.1Å; V728-L730 PolarHBondContact O-N 3.35Å; V728-I977 HydrophobicContact CG1-CD1 4.33Å; V728-I977 HydrophobicContact CG2-CB 4.02Å; V728-I977 HydrophobicContact CG2-CD1 3.95Å; V728-I977 HydrophobicContact CG2-CG2 3.84Å |
| 729 | P | 77 | Confident | 88.8 | Confident | 29 Ų | 29 | 48.4 Ų | 48.4 | 19% | 0.188 | 29% | 0.286 | C | S | . | . | trans | -66.3 | 121.6 | -176.9 | -23.5 | 36.7 | 0 | 0 | 0 | 111.3 | Q590 Q727 F731 | Q590-P729 PolarHBondContact NE2-O 2.84Å; Q727-P729 WeakPolarHBondContact O-CD 3.25Å; P729-F731 HydrophobicContact CB-CD2 4.34Å; P729-F731 HydrophobicContact CB-CE2 3.78Å | ||
| 730 | L | 80.4 | Confident | 88.8 | Confident | 92 Ų | 92 | 46.4 Ų | 46.4 | 48% | 0.482 | 26% | 0.262 | S | S | . | . | trans | -88.9 | 133.2 | 173.7 | -59.7 | 178.4 | 0 | 0 | 0 | 109.6 | V728 | V728-L730 PolarHBondContact O-N 3.35Š| ||
| 731 | F | 82.1 | Confident | 88.8 | Confident | 9 Ų | 9 | 46.4 Ų | 46.4 | 4% | 0.039 | 26% | 0.261 | C | S | . | . | trans | -118.3 | 134.4 | 173.8 | -74.7 | -112.4 | 0 | 0 | 0 | 108.5 | Q589 Q590 R658 P729 | Q589-F731 HydrophobicContact CB-CD1 4.47Å; Q589-F731 HydrophobicContact CB-CE1 3.63Å; Q589-F731 HydrophobicContact CB-CE2 4.34Å; Q589-F731 HydrophobicContact CB-CZ 3.56Å; Q589-F731 HydrophobicContact CG-CE1 4.22Å; Q590-F731 HydrophobicContact CG-CD2 3.44Å; Q590-F731 VanDerWaalsContact CG-CD2 3.44Å; Q590-F731 HydrophobicContact CG-CE2 3.35Å; Q590-F731 HydrophobicContact CG-CG 4.44Å; Q590-F731 HydrophobicContact CG-CZ 4.29Å; R658-F731 HydrophobicContact CB-CD1 4.17Å; R658-F731 HydrophobicContact CB-CE1 3.63Å; R658-F731 HydrophobicContact CB-CZ 4.27Å; R658-F731 WeakPolarHBondContact O-CE1 3.44Å; P729-F731 HydrophobicContact CB-CD2 4.34Å; P729-F731 HydrophobicContact CB-CE2 3.78Å | ||
| 732 | R | 92 | Very high | 89 | Confident | 86 Ų | 86 | 39.5 Ų | 39.5 | 33% | 0.325 | 23% | 0.231 | S | C | . | . | trans | -129.7 | 161.9 | 178.5 | -66.8 | 166.3 | -73.6 | -171.3 | -0.3 | 110.2 | E657 L964 Y965 R967 | E657-R732 VanDerWaalsContact CB-O 3.25Å; E657-R732 WeakPolarHBondContact CB-O 3.48Å; E657-R732 PolarHBondContact N-O 2.72Å; E657-R732 IonicContact OE1-CZ 2.69Å; E657-R732 IonicContact OE1-NE 2.8Å; E657-R732 IonicContact OE1-NH2 2.71Å; E657-R732 PolarHBondContact OE1-NH2 3.26Å; E657-R732 WeakPolarHBondContact OE2-CB 3.35Å; E657-R732 IonicContact OE2-CZ 2.92Å; E657-R732 PolarHBondContact OE2-N 2.91Å; E657-R732 IonicContact OE2-NE 3.72Å; E657-R732 PolarHBondContact OE2-NE 3.11Å; E657-R732 IonicContact OE2-NH2 3.67Å; E657-R732 PolarHBondContact OE2-NH2 3.28Å; R732-L964 HydrophobicContact CB-CB 4.15Å; R732-L964 HydrophobicContact CB-CD2 4.3Å; R732-Y965 WeakPolarHBondContact CD-O 3.13Å; R732-Y965 WeakPolarHBondContact CG-O 3.48Å; R732-R967 HydrophobicContact CG-CG 4.12Å | ||
| 733 | E | 94.4 | Very high | 89.2 | Confident | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | B | Isolated β-bridge | trans | -93.2 | 141.1 | 168.3 | 177.7 | 139.1 | 145.1 | 0 | 0 | 110.5 | L655 Q761 R799 A801 H802 T804 Y965 | L655-E733 HydrophobicContact CB-CG 4.13Å; L655-E733 CarbonylContact O-C 3.53Å; L655-E733 VanDerWaalsContact O-CA 3.3Å; L655-E733 WeakPolarHBondContact O-CA 3.48Å; E733-Q761 PolarHBondContact OE1-NE2 3.42Å; E733-R799 IonicContact OE1-CZ 3Å; E733-R799 IonicContact OE1-NH1 3.66Å; E733-R799 PolarHBondContact OE1-NH1 2.8Å; E733-R799 IonicContact OE1-NH2 3.79Å; E733-R799 IonicContact OE2-CZ 3.6Å; E733-R799 VanDerWaalsContact OE2-CZ 3.25Å; E733-R799 IonicContact OE2-NH1 3.51Å; E733-R799 PolarHBondContact OE2-NH1 3.32Å; E733-R799 IonicContact OE2-NH2 2.81Å; E733-R799 PolarHBondContact OE2-NH2 3.01Å; E733-A801 WeakPolarHBondContact OE2-CB 3.47Å; E733-H802 HydrophobicContact CB-CB 4.24Å; E733-T804 HydrophobicContact CB-CG2 3.96Å; E733-T804 VanDerWaalsContact CB-OG1 3.28Å; E733-T804 WeakPolarHBondContact CB-OG1 3.13Å; E733-T804 WeakPolarHBondContact CG-OG1 3.25Å; E733-T804 PolarHBondContact OE1-OG1 2.94Å; E733-Y965 PolarHBondContact O-N 3.22Å |
| 734 | L | 96.3 | Very high | 89.5 | Confident | 2 Ų | 2 | 38.7 Ų | 38.7 | 1% | 0.01 | 22% | 0.223 | C | C | . | . | B | Isolated β-bridge | trans | -66 | 139.4 | 170.2 | -79.2 | 82.4 | 0 | 0 | 0 | 111.1 | L655 Q761 K959 L962 L964 | L655-L734 WeakPolarHBondContact O-CD1 3.29Å; L655-L734 PolarHBondContact O-N 2.71Å; L734-Q761 PolarHBondContact O-NE2 3.19Å; L734-Q761 PolarHBondContact O-OE1 3.43Å; L734-K959 HydrophobicContact CD1-CG 4.39Å; L734-K959 HydrophobicContact CD2-CB 3.87Å; L734-K959 HydrophobicContact CD2-CG 3.62Å; L734-L962 HydrophobicContact CD2-CB 4.01Å; L734-L962 HydrophobicContact CD2-CD1 4.08Å; L734-L964 HydrophobicContact CD1-CD2 3.85Å; L734-L964 HydrophobicContact CG-CD2 3.85Å |
| 735 | Q | 96.3 | Very high | 89.8 | Confident | 49 Ų | 49 | 38.4 Ų | 38.4 | 23% | 0.229 | 22% | 0.22 | C | C | . | . | trans | -93.5 | 110.4 | 174.5 | 170.7 | 172.9 | 74.3 | 0 | 0 | 109.5 | P963 Y965 | Q735-P963 HydrophobicContact CB-CG 4.07Å; Q735-P963 HydrophobicContact CG-CG 4.23Å; Q735-P963 PolarHBondContact N-O 2.79Å; Q735-Y965 VanDerWaalsContact CA-CE2 3.49Å; Q735-Y965 HydrophobicContact CB-CD1 4.5Å; Q735-Y965 HydrophobicContact CB-CD2 3.65Å; Q735-Y965 HydrophobicContact CB-CE1 4.41Å; Q735-Y965 HydrophobicContact CB-CE2 3.53Å; Q735-Y965 HydrophobicContact CB-CG 4.15Å; Q735-Y965 HydrophobicContact CG-CD2 4.41Å; Q735-Y965 HydrophobicContact CG-CE1 4.23Å; Q735-Y965 HydrophobicContact CG-CE2 3.87Å | ||
| 736 | L | 96 | Very high | 90.3 | Very high | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | P | Polyproline II helix | trans | -62.6 | 149 | 176.2 | -66.9 | 169 | 0 | 0 | 0 | 111.4 | L655 V742 Q761 R921 L923 F958 | L655-L736 HydrophobicContact CD2-CD1 4.33Å; L655-L736 HydrophobicContact CD2-CD2 3.96Å; L655-L736 HydrophobicContact CD2-CG 4.04Å; L736-V742 HydrophobicContact CD2-CB 4.28Å; L736-V742 HydrophobicContact CD2-CG2 4Å; L736-Q761 HydrophobicContact CD1-CB 4.44Å; L736-Q761 HydrophobicContact CD1-CG 3.93Å; L736-Q761 VanDerWaalsContact CG-OE1 3.3Å; L736-R921 HydrophobicContact CB-CB 4.05Å; L736-R921 WeakPolarHBondContact O-CD 3.28Å; L736-R921 WeakPolarHBondContact O-CG 3.47Å; L736-R921 PolarHBondContact O-NH1 2.8Å; L736-L923 HydrophobicContact CD1-CB 3.62Å; L736-L923 HydrophobicContact CD2-CB 4.28Å; L736-F958 HydrophobicContact CD2-CZ 3.91Å |
| 737 | P | 93.4 | Very high | 90.7 | Very high | 27 Ų | 27 | 34.4 Ų | 34.4 | 18% | 0.175 | 18% | 0.182 | C | C | . | . | P | Polyproline II helix | trans | -62.3 | 148.9 | 176.5 | 25.3 | -33.5 | 0 | 0 | 0 | 112.3 | N740 V742 | P737-N740 HydrophobicContact CB-CB 4.15Å; P737-N740 HydrophobicContact CG-CB 3.82Å; P737-V742 HydrophobicContact CG-CG2 3.88Å |
| 738 | V | 93 | Very high | 91 | Very high | 64 Ų | 64 | 30.7 Ų | 30.7 | 39% | 0.388 | 17% | 0.165 | S | C | . | . | S | Bend | trans | -79.9 | 134.4 | 174.5 | 178.6 | 0 | 0 | 0 | 0 | 109.6 | N740 R918 R920 R921 | V738-N740 PolarHBondContact O-N 2.62Å; V738-R918 VanDerWaalsContact CG1-O 3.23Å; V738-R918 WeakPolarHBondContact CG1-O 3.27Å; V738-R920 WeakPolarHBondContact CA-O 3.22Å; V738-R921 HydrophobicContact CG2-CG 4.23Å; V738-R921 VanDerWaalsContact CG2-NH2 3.33Å |
| 739 | G | 84.1 | Confident | 91.4 | Very high | 34 Ų | 34 | 36.6 Ų | 36.6 | 35% | 0.351 | 19% | 0.189 | S | C | . | . | S | Bend | trans | 75.2 | -2.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | R920 S947 | G739-R920 PolarHBondContact N-O 2.68Å; G739-S947 WeakPolarHBondContact O-CB 3.48Å |
| 740 | N | 82.6 | Confident | 92.2 | Very high | 55 Ų | 55 | 37.2 Ų | 37.2 | 29% | 0.294 | 19% | 0.192 | S | C | . | . | trans | -97.1 | 146.3 | 170.3 | -73.6 | 12.4 | 0 | 0 | 0 | 110.2 | P737 V738 P948 | P737-N740 HydrophobicContact CB-CB 4.15Å; P737-N740 HydrophobicContact CG-CB 3.82Å; V738-N740 PolarHBondContact O-N 2.62Å; N740-P948 WeakPolarHBondContact CA-O 3.5Å | ||
| 741 | Q | 89.7 | Confident | 92.6 | Very high | 7 Ų | 7 | 33.2 Ų | 33.2 | 3% | 0.033 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 106.1 | 167.6 | -49.8 | -172.5 | 61.4 | 0 | 0 | 108.8 | K922 D945 S947 P948 V949 E950 | Q741-K922 HydrophobicContact CB-CD 4.48Å; Q741-K922 HydrophobicContact CG-CD 4.23Å; Q741-D945 VanDerWaalsContact CD-CG 3.47Å; Q741-D945 VanDerWaalsContact CD-OD2 3.25Å; Q741-D945 PolarHBondContact NE2-O 2.8Å; Q741-D945 PolarHBondContact OE1-OD2 2.62Å; Q741-S947 PolarHBondContact NE2-O 3.47Å; Q741-P948 PolarHBondContact N-O 2.69Å; Q741-V949 HydrophobicContact CB-CG2 4.23Å; Q741-V949 CarbonylContact O-C 3.01Å; Q741-V949 WeakPolarHBondContact O-CA 3.28Å; Q741-E950 PolarHBondContact O-N 3.1Å |
| 742 | V | 95.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 125.6 | 173.1 | -179.6 | 0 | 0 | 0 | 0 | 108.8 | L736 P737 K922 L923 S924 E950 V952 F958 | L736-V742 HydrophobicContact CD2-CB 4.28Å; L736-V742 HydrophobicContact CD2-CG2 4Å; P737-V742 HydrophobicContact CG-CG2 3.88Å; V742-K922 PolarHBondContact N-O 3.23Å; V742-L923 HydrophobicContact CB-CD1 4.13Å; V742-L923 HydrophobicContact CG1-CD1 3.73Å; V742-L923 CarbonylContact O-C 3.53Å; V742-L923 WeakPolarHBondContact O-CA 3.2Å; V742-S924 PolarHBondContact O-N 2.75Å; V742-E950 CarbonylContact C-O 3Å; V742-E950 WeakPolarHBondContact CA-O 3.36Å; V742-V952 HydrophobicContact CG1-CG2 3.5Å; V742-F958 HydrophobicContact CB-CE2 4.46Å; V742-F958 HydrophobicContact CG1-CD2 4.43Å; V742-F958 HydrophobicContact CG1-CE2 3.49Å; V742-F958 VanDerWaalsContact CG1-CE2 3.49Å; V742-F958 HydrophobicContact CG1-CZ 3.6Å; V742-F958 HydrophobicContact CG2-CE2 4.07Å; V742-F958 HydrophobicContact CG2-CZ 4.4Å |
| 743 | V | 96.2 | Very high | 92.6 | Very high | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.006 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 126.1 | -179.8 | 179.5 | 0 | 0 | 0 | 0 | 110.6 | E745 S924 V949 E950 K951 V952 | V743-E745 HydrophobicContact CG1-CG 4.15Å; V743-S924 WeakPolarHBondContact CA-O 3.21Å; V743-V949 HydrophobicContact CB-CG1 4.23Å; V743-V949 HydrophobicContact CG2-CG1 3.69Å; V743-E950 PolarHBondContact N-O 3.24Å; V743-K951 CarbonylContact O-C 3.56Å; V743-K951 WeakPolarHBondContact O-CA 3.33Å; V743-V952 PolarHBondContact O-N 3.13Å |
| 744 | F | 96.8 | Very high | 92.4 | Very high | 23 Ų | 23 | 32.5 Ų | 32.5 | 10% | 0.101 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 138.2 | 168.4 | -179.6 | -96.7 | 0 | 0 | 0 | 109.7 | Y650 L654 A746 S924 V925 R926 V952 I955 | Y650-F744 HydrophobicContact CD1-CD1 4.4Å; Y650-F744 AromaticContact CD1-CE1 3.44Å; Y650-F744 HydrophobicContact CD1-CE1 3.44Å; Y650-F744 VanDerWaalsContact CD1-CE1 3.44Å; Y650-F744 AromaticContact CD1-CZ 3.8Å; Y650-F744 HydrophobicContact CD1-CZ 3.8Å; Y650-F744 AromaticContact CD2-CE1 3.9Å; Y650-F744 HydrophobicContact CD2-CE1 3.9Å; Y650-F744 AromaticContact CE1-CE1 3.87Å; Y650-F744 HydrophobicContact CE1-CE1 3.87Å; Y650-F744 AromaticContact CE1-CZ 3.99Å; Y650-F744 HydrophobicContact CE1-CZ 3.99Å; Y650-F744 HydrophobicContact CE2-CE1 4.32Å; Y650-F744 HydrophobicContact CG-CD1 4.12Å; Y650-F744 AromaticContact CG-CE1 3.47Å; Y650-F744 HydrophobicContact CG-CE1 3.47Å; Y650-F744 VanDerWaalsContact CG-CE1 3.47Å; Y650-F744 HydrophobicContact CG-CZ 4.31Å; L654-F744 HydrophobicContact CD1-CB 3.71Å; L654-F744 HydrophobicContact CD1-CD1 4.35Å; L654-F744 HydrophobicContact CD1-CD2 4.44Å; L654-F744 HydrophobicContact CD1-CG 3.92Å; L654-F744 HydrophobicContact CD2-CD2 4.32Å; F744-A746 HydrophobicContact CE1-CB 4.01Å; F744-S924 PolarHBondContact N-O 2.93Å; F744-V925 HydrophobicContact CD1-CG1 4.25Å; F744-R926 PolarHBondContact O-N 3.31Å; F744-V952 HydrophobicContact CB-CB 4.39Å; F744-V952 HydrophobicContact CD2-CB 4.05Å; F744-V952 HydrophobicContact CD2-CG1 3.95Å; F744-I955 HydrophobicContact CE2-CD1 3.94Å; F744-I955 HydrophobicContact CE2-CG1 3.95Å; F744-I955 HydrophobicContact CZ-CD1 4.12Å |
| 745 | E | 96 | Very high | 92.1 | Very high | 67 Ų | 67 | 32.5 Ų | 32.5 | 31% | 0.313 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 129.4 | -179.9 | -65.5 | -178 | -165.2 | 0 | 0 | 111.5 | V743 R926 F928 K951 | V743-E745 HydrophobicContact CG1-CG 4.15Å; E745-R926 CarbonylContact C-O 3.53Å; E745-R926 VanDerWaalsContact CA-O 3.3Å; E745-R926 WeakPolarHBondContact CA-O 3.41Å; E745-R926 HydrophobicContact CG-CB 4.25Å; E745-R926 IonicContact OE1-NH1 3.99Å; E745-F928 HydrophobicContact CB-CE2 4.29Å; E745-F928 HydrophobicContact CG-CE2 3.93Å; E745-K951 VanDerWaalsContact CD-CE 3.42Å; E745-K951 WeakPolarHBondContact OE1-CE 2.99Å; E745-K951 IonicContact OE1-NZ 2.88Å; E745-K951 PolarHBondContact OE1-NZ 3.12Å; E745-K951 WeakPolarHBondContact OE2-CE 3.09Å; E745-K951 IonicContact OE2-NZ 3.71Å; E745-K951 PolarHBondContact OE2-NZ 3.16Å |
| 746 | A | 95 | Very high | 92 | Very high | 10 Ų | 10 | 30.1 Ų | 30.1 | 8% | 0.083 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 175.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y650 F744 R926 V927 F928 | Y650-A746 HydrophobicContact CD2-CB 3.94Å; Y650-A746 HydrophobicContact CE2-CB 3.4Å; F744-A746 HydrophobicContact CE1-CB 4.01Å; A746-R926 PolarHBondContact N-O 3.49Å; A746-V927 HydrophobicContact CB-CG2 4.37Å; A746-F928 PolarHBondContact O-N 3.31Å |
| 747 | E | 95 | Very high | 91.9 | Very high | 69 Ų | 69 | 30.1 Ų | 30.1 | 32% | 0.322 | 17% | 0.173 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 126.3 | 178.6 | 179.3 | 172.7 | -165.3 | 0 | 0 | 110.2 | K749 F928 K933 | E747-K749 HydrophobicContact CG-CG 4.34Å; E747-F928 CarbonylContact C-O 3.53Å; E747-F928 VanDerWaalsContact CA-O 3.24Å; E747-F928 WeakPolarHBondContact CA-O 3.39Å; E747-K933 HydrophobicContact CB-CD 4.02Å; E747-K933 VanDerWaalsContact CD-CD 3.42Å; E747-K933 HydrophobicContact CG-CD 3.89Å; E747-K933 WeakPolarHBondContact OE2-CD 3.15Å; E747-K933 WeakPolarHBondContact OE2-CE 3.29Å; E747-K933 IonicContact OE2-NZ 2.91Å; E747-K933 PolarHBondContact OE2-NZ 3.05Å |
| 748 | N | 94 | Very high | 92 | Very high | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 123.6 | 167.5 | -170.6 | -56.8 | 0 | 0 | 0 | 107.9 | E641 P643 H646 V750 H751 V927 F928 T930 | E641-N748 PolarHBondContact O-ND2 3.32Å; P643-N748 HydrophobicContact CG-CB 4.21Å; H646-N748 PolarHBondContact CE1-ND2 3.16Å; H646-N748 PolarHBondContact ND1-ND2 3.21Å; H646-N748 VanDerWaalsContact ND1-ND2 3.2Å; N748-V750 PolarHBondContact OD1-N 3.24Å; N748-H751 PolarHBondContact OD1-CD2 3.24Å; N748-H751 PolarHBondContact OD1-N 3.39Å; N748-V927 HydrophobicContact CB-CG1 3.85Å; N748-F928 PolarHBondContact N-O 3.13Å; N748-T930 PolarHBondContact O-N 3.04Å |
| 749 | K | 93.7 | Very high | 92.1 | Very high | 141 Ų | 141 | 25.8 Ų | 25.8 | 61% | 0.613 | 15% | 0.146 | S | C | * | . | S | Bend | trans | -93.4 | -6 | -173.4 | -62.3 | 174.8 | -170.3 | 158.1 | 0 | 113.9 | E747 T930 | E747-K749 HydrophobicContact CG-CG 4.34Å; K749-T930 WeakPolarHBondContact CA-OG1 3.18Å |
| 750 | V | 92.8 | Very high | 92.7 | Very high | 42 Ų | 42 | 24.2 Ų | 24.2 | 26% | 0.255 | 13% | 0.13 | S | C | . | . | S | Bend | trans | -110.7 | -43 | -165.8 | 178 | 0 | 0 | 0 | 0 | 111.6 | K161 I273 M640 N748 | K161-V750 HydrophobicContact CB-CG1 4.45Å; K161-V750 WeakPolarHBondContact CE-O 3.4Å; K161-V750 HydrophobicContact CG-CG1 4.5Å; I273-V750 HydrophobicContact CG2-CG1 3.68Å; M640-V750 HydrophobicContact CB-CG1 4.39Å; M640-V750 HydrophobicContact CB-CG2 4.27Å; M640-V750 HydrophobicContact CG-CG1 4.49Å; M640-V750 HydrophobicContact CG-CG2 3.82Å; N748-V750 PolarHBondContact OD1-N 3.24Å |
| 751 | H | 89.4 | Confident | 93.4 | Very high | 8 Ų | 8 | 21.7 Ų | 21.7 | 4% | 0.037 | 12% | 0.116 | C | C | . | . | trans | -93.1 | 146 | -177.6 | -63.6 | -84.9 | 0 | 0 | 0 | 111.6 | K161 M640 E641 Q642 P643 N748 S929 | K161-H751 VanDerWaalsContact CB-CE1 3.47Å; K161-H751 WeakPolarHBondContact CB-CE1 3.44Å; M640-H751 PolarHBondContact O-NE2 3.38Å; E641-H751 PolarHBondContact O-CD2 2.92Å; E641-H751 VanDerWaalsContact O-CD2 3.31Å; E641-H751 PolarHBondContact O-NE2 3.41Å; Q642-H751 VanDerWaalsContact CD-CE1 3.46Å; Q642-H751 PolarHBondContact NE2-CE1 3.42Å; P643-H751 HydrophobicContact CG-CB 3.85Å; N748-H751 PolarHBondContact OD1-CD2 3.24Å; N748-H751 PolarHBondContact OD1-N 3.39Å; H751-S929 WeakPolarHBondContact O-CB 3.47Å | ||
| 752 | A | 86.7 | Confident | 93.6 | Very high | 70 Ų | 70 | 22 Ų | 22 | 58% | 0.579 | 12% | 0.118 | S | C | * | . | S | Bend | trans | -77.4 | -29 | 179 | 0 | 0 | 0 | 0 | 0 | 112.6 | S929 | A752-S929 WeakPolarHBondContact O-CB 3.29Å; A752-S929 PolarHBondContact O-OG 3.42Å |
| 753 | N | 86.4 | Confident | 93.6 | Very high | 10 Ų | 10 | 22.4 Ų | 22.4 | 5% | 0.053 | 12% | 0.123 | C | C | . | . | S | Bend | trans | -79.2 | 151.7 | 179 | -66.9 | -11.8 | 0 | 0 | 0 | 111.4 | N158 P643 Q812 | N158-N753 PolarHBondContact OD1-ND2 3.42Å; P643-N753 WeakPolarHBondContact CG-O 3.29Å; N753-Q812 HydrophobicContact CB-CG 3.81Å |
| 754 | S | 90.6 | Very high | 93.5 | Very high | 1 Ų | 1 | 23.8 Ų | 23.8 | 1% | 0.007 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 168.9 | 169.2 | -72.1 | 0 | 0 | 0 | 0 | 110.6 | Q812 S813 V927 F928 S929 Q932 | S754-Q812 CarbonylContact O-C 3.13Å; S754-Q812 VanDerWaalsContact O-CA 3.27Å; S754-Q812 WeakPolarHBondContact O-CA 3.45Å; S754-S813 PolarHBondContact N-O 3.45Å; S754-S813 PolarHBondContact O-N 3.35Å; S754-V927 CarbonylContact C-O 3.6Å; S754-V927 VanDerWaalsContact CA-O 3.3Å; S754-V927 WeakPolarHBondContact CA-O 3.32Å; S754-V927 VanDerWaalsContact CB-O 3.23Å; S754-V927 WeakPolarHBondContact CB-O 3.47Å; S754-F928 WeakPolarHBondContact OG-CA 3.44Å; S754-S929 PolarHBondContact OG-N 2.79Å; S754-Q932 PolarHBondContact OG-NE2 2.94Å; S754-Q932 PolarHBondContact OG-OE1 3.34Å |
| 755 | A | 91.1 | Very high | 93.2 | Very high | 2 Ų | 2 | 23.9 Ų | 23.9 | 2% | 0.017 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 157.4 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | P643 V811 V927 | P643-A755 HydrophobicContact CB-CB 3.51Å; P643-A755 WeakPolarHBondContact O-CB 3.04Å; A755-V811 WeakPolarHBondContact CA-O 3.46Å; A755-V811 WeakPolarHBondContact CB-O 3.39Å; A755-V927 HydrophobicContact CB-CB 4.38Å; A755-V927 PolarHBondContact N-O 2.73Å; A755-V927 PolarHBondContact O-N 3.4Å |
| 756 | I | 93.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 143.4 | 162.2 | 178.2 | 170.7 | 0 | 0 | 0 | 109.4 | I810 V811 P817 V820 E821 I824 V925 R926 | I756-I810 WeakPolarHBondContact O-CA 3.33Å; I756-V811 HydrophobicContact CG2-CB 3.77Å; I756-V811 HydrophobicContact CG2-CG1 4.47Å; I756-V811 HydrophobicContact CG2-CG2 4.08Å; I756-V811 PolarHBondContact N-O 2.88Å; I756-V811 VanDerWaalsContact N-O 3.14Å; I756-V811 PolarHBondContact O-N 3.18Å; I756-P817 HydrophobicContact CB-CB 4.22Å; I756-V820 HydrophobicContact CG2-CB 3.97Å; I756-V820 HydrophobicContact CG2-CG1 3.37Å; I756-E821 HydrophobicContact CD1-CB 3.57Å; I756-E821 HydrophobicContact CD1-CG 3.66Å; I756-E821 VanDerWaalsContact CD1-OE2 3.31Å; I756-E821 WeakPolarHBondContact CD1-OE2 3.34Å; I756-I824 HydrophobicContact CG2-CD1 4.19Å; I756-V925 CarbonylContact C-O 3.59Å; I756-V925 VanDerWaalsContact CA-O 3.29Å; I756-V925 WeakPolarHBondContact CA-O 3.46Å; I756-R926 HydrophobicContact CD1-CG 4.12Å; I756-R926 HydrophobicContact CG1-CG 4.33Å |
| 757 | E | 94.3 | Very high | 92.6 | Very high | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.005 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 120.5 | 157.5 | -179.9 | 170.2 | 147.8 | 0 | 0 | 109.6 | A648 T651 R808 V809 I810 S924 V925 | A648-E757 WeakPolarHBondContact CA-OE2 3.49Å; A648-E757 PolarHBondContact N-OE2 3.13Å; T651-E757 WeakPolarHBondContact CB-OE1 3.35Å; T651-E757 WeakPolarHBondContact CG2-OE1 3.27Å; T651-E757 PolarHBondContact OG1-OE1 3.37Å; E757-R808 HydrophobicContact CG-CG 4.03Å; E757-R808 IonicContact OE1-CZ 3.26Å; E757-R808 IonicContact OE1-NE 3.82Å; E757-R808 PolarHBondContact OE1-NE 2.89Å; E757-R808 IonicContact OE1-NH2 2.64Å; E757-R808 IonicContact OE2-CZ 2.66Å; E757-R808 IonicContact OE2-NE 3.96Å; E757-R808 PolarHBondContact OE2-NE 3.46Å; E757-R808 IonicContact OE2-NH2 3.24Å; E757-R808 PolarHBondContact OE2-NH2 3.15Å; E757-V809 CarbonylContact C-O 3.47Å; E757-V809 VanDerWaalsContact CA-O 3.32Å; E757-V809 WeakPolarHBondContact CA-O 3.46Å; E757-I810 HydrophobicContact CG-CG1 4.33Å; E757-S924 WeakPolarHBondContact O-CA 3.35Å; E757-V925 HydrophobicContact CB-CB 4.4Å; E757-V925 PolarHBondContact N-O 2.86Å; E757-V925 PolarHBondContact O-N 2.79Å |
| 758 | L | 94.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 125 | 171.4 | -179.6 | 149.2 | 0 | 0 | 0 | 108.3 | L760 R808 V809 E821 I824 L923 | L758-L760 HydrophobicContact CD2-CD1 4.29Å; L758-L760 HydrophobicContact CD2-CD2 4.06Å; L758-L760 HydrophobicContact CD2-CG 3.8Å; L758-R808 CarbonylContact O-C 3.53Å; L758-R808 WeakPolarHBondContact O-CA 3.47Å; L758-V809 PolarHBondContact N-O 3.3Å; L758-V809 PolarHBondContact O-N 3.05Å; L758-E821 HydrophobicContact CD1-CG 3.95Å; L758-I824 HydrophobicContact CB-CD1 4.45Å; L758-I824 HydrophobicContact CD1-CG2 4.09Å; L758-I824 HydrophobicContact CD2-CG2 4.35Å; L758-L923 WeakPolarHBondContact CA-O 3.39Å |
| 759 | L | 95.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 128.6 | 176.2 | -177.8 | 77.7 | 0 | 0 | 0 | 110 | T651 L655 Q761 R799 L807 R808 L923 | T651-L759 HydrophobicContact CG2-CD2 4.22Å; L655-L759 HydrophobicContact CD1-CD2 3.24Å; L759-Q761 HydrophobicContact CD2-CG 4.09Å; L759-R799 HydrophobicContact CD1-CB 3.78Å; L759-L807 WeakPolarHBondContact CA-O 3.36Å; L759-R808 HydrophobicContact CD1-CB 4.23Å; L759-L923 HydrophobicContact CB-CB 4.47Å; L759-L923 PolarHBondContact N-O 3.04Å; L759-L923 PolarHBondContact O-N 2.77Å |
| 760 | L | 96.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 106.1 | 168.5 | -56.3 | 178.1 | 0 | 0 | 0 | 108.7 | L758 V762 G806 L807 L828 I913 R920 R921 K922 | L758-L760 HydrophobicContact CD2-CD1 4.29Å; L758-L760 HydrophobicContact CD2-CD2 4.06Å; L758-L760 HydrophobicContact CD2-CG 3.8Å; L760-V762 PolarHBondContact O-N 3.25Å; L760-G806 CarbonylContact O-C 3.55Å; L760-G806 WeakPolarHBondContact O-CA 3.46Å; L760-L807 HydrophobicContact CB-CB 4.41Å; L760-L807 HydrophobicContact CD1-CD2 4.35Å; L760-L807 PolarHBondContact N-O 3.2Å; L760-L807 PolarHBondContact O-N 3.46Å; L760-L828 HydrophobicContact CD1-CD1 4.08Å; L760-I913 HydrophobicContact CD1-CB 4.36Å; L760-I913 HydrophobicContact CD1-CG2 3.93Å; L760-R920 HydrophobicContact CD2-CG 4.47Å; L760-R921 WeakPolarHBondContact CA-O 3.37Å; L760-K922 HydrophobicContact CD2-CB 3.77Å; L760-K922 HydrophobicContact CD2-CD 4.38Å; L760-K922 HydrophobicContact CD2-CG 3.88Å |
| 761 | Q | 96.6 | Very high | 92.3 | Very high | 2 Ų | 2 | 21.6 Ų | 21.6 | 1% | 0.009 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 126.9 | 178.1 | -84 | -173.9 | -24.6 | 0 | 0 | 110.7 | E733 L734 L736 L759 R921 | E733-Q761 PolarHBondContact OE1-NE2 3.42Å; L734-Q761 PolarHBondContact O-NE2 3.19Å; L734-Q761 PolarHBondContact O-OE1 3.43Å; L736-Q761 HydrophobicContact CD1-CB 4.44Å; L736-Q761 HydrophobicContact CD1-CG 3.93Å; L736-Q761 VanDerWaalsContact CG-OE1 3.3Å; L759-Q761 HydrophobicContact CD2-CG 4.09Å; Q761-R921 HydrophobicContact CB-CB 3.94Å; Q761-R921 PolarHBondContact N-O 3.31Å |
| 762 | V | 95.4 | Very high | 92.7 | Very high | 13 Ų | 13 | 21.9 Ų | 21.9 | 8% | 0.079 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | -45.7 | 175.5 | 175 | 0 | 0 | 0 | 0 | 110 | L760 L773 Q805 F908 F912 | L760-V762 PolarHBondContact O-N 3.25Å; V762-L773 HydrophobicContact CG2-CD1 4.33Å; V762-L773 HydrophobicContact CG2-CD2 4.42Å; V762-Q805 PolarHBondContact N-O 2.74Å; V762-F908 HydrophobicContact CG1-CE2 3.6Å; V762-F908 HydrophobicContact CG1-CZ 3.77Å; V762-F908 HydrophobicContact CG2-CZ 3.96Å; V762-F912 HydrophobicContact CG1-CD1 4.48Å; V762-F912 HydrophobicContact CG1-CD2 4.3Å; V762-F912 HydrophobicContact CG1-CG 4.27Å; V762-F912 HydrophobicContact CG2-CB 4.36Å |
| 763 | G | 94.1 | Very high | 93.1 | Very high | 9 Ų | 9 | 18.5 Ų | 18.5 | 9% | 0.093 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 145.8 | -152.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | T804 Q805 | G763-T804 CarbonylContact O-C 3.54Å; G763-T804 VanDerWaalsContact O-CA 3.26Å; G763-T804 WeakPolarHBondContact O-CA 3.49Å; G763-T804 WeakPolarHBondContact O-CB 3.42Å; G763-Q805 PolarHBondContact N-O 3.48Å; G763-Q805 PolarHBondContact O-N 2.95Å |
| 764 | V | 93.8 | Very high | 93.4 | Very high | 31 Ų | 31 | 18.7 Ų | 18.7 | 19% | 0.188 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 142.3 | 178.8 | -174.5 | 0 | 0 | 0 | 0 | 110.7 | G803 Y965 P966 A968 | V764-G803 WeakPolarHBondContact CA-O 3.46Å; V764-G803 WeakPolarHBondContact CG1-O 3.36Å; V764-Y965 HydrophobicContact CG2-CD1 3.72Å; V764-Y965 HydrophobicContact CG2-CE1 4.47Å; V764-Y965 HydrophobicContact CG2-CG 4.35Å; V764-P966 HydrophobicContact CG2-CG 4.08Å; V764-A968 HydrophobicContact CG1-CB 4.3Å |
| 765 | E | 90.6 | Very high | 93.6 | Very high | 24 Ų | 24 | 18.6 Ų | 18.6 | 11% | 0.112 | 9% | 0.092 | C | C | . | . | trans | -60.4 | 133 | 174.8 | -70.3 | 174 | -120.2 | 0 | 0 | 111.7 | N770 R800 G803 T804 Q805 Q876 | E765-N770 WeakPolarHBondContact CA-OD1 3.32Å; E765-R800 IonicContact OE2-NE 3.81Å; E765-G803 PolarHBondContact N-O 3.1Å; E765-G803 VanDerWaalsContact OE1-C 3.28Å; E765-G803 WeakPolarHBondContact OE1-CA 3.48Å; E765-T804 PolarHBondContact OE1-N 2.94Å; E765-Q805 HydrophobicContact CG-CB 4.31Å; E765-Q876 PolarHBondContact OE2-NE2 3.27Å | ||
| 766 | K | 89.6 | Confident | 93.8 | Very high | 113 Ų | 113 | 18.6 Ų | 18.6 | 49% | 0.491 | 9% | 0.091 | S | C | . | . | trans | -158 | 143 | -179.5 | -70.2 | 167 | 173.5 | 173.1 | 0 | 108.4 | R768 E769 N770 | K766-R768 VanDerWaalsContact C-N 3.29Å; K766-R768 PolarHBondContact O-N 3.24Å; K766-E769 HydrophobicContact CB-CB 4.48Å; K766-E769 VanDerWaalsContact CB-OE2 3.28Å; K766-E769 WeakPolarHBondContact CB-OE2 3.22Å; K766-E769 HydrophobicContact CD-CG 4.44Å; K766-E769 WeakPolarHBondContact CD-OE1 3.38Å; K766-E769 VanDerWaalsContact CD-OE2 3.24Å; K766-E769 WeakPolarHBondContact CD-OE2 3.24Å; K766-E769 WeakPolarHBondContact CE-OE1 3.41Å; K766-E769 IonicContact NZ-OE1 3.44Å; K766-E769 PolarHBondContact NZ-OE1 2.73Å; K766-E769 PolarHBondContact O-N 3Å; K766-N770 PolarHBondContact N-OD1 2.96Å; K766-N770 WeakPolarHBondContact O-CB 3.48Å; K766-N770 PolarHBondContact O-N 3.32Å; K766-N770 PolarHBondContact O-OD1 2.88Å | ||
| 767 | T | 88.7 | Confident | 93.8 | Very high | 50 Ų | 50 | 19.1 Ų | 19.1 | 31% | 0.307 | 10% | 0.095 | S | C | . | . | H | α-helix | trans | -43.1 | -48 | -176.2 | -47.1 | 0 | 0 | 0 | 0 | 114.5 | M771 E893 E896 | T767-M771 WeakPolarHBondContact O-CG 3.45Å; T767-M771 PolarHBondContact O-N 2.86Å; T767-E893 HydrophobicContact CG2-CB 4.41Å; T767-E893 HydrophobicContact CG2-CG 3.62Å; T767-E896 HydrophobicContact CG2-CB 4.07Å; T767-E896 HydrophobicContact CG2-CG 4.35Å |
| 768 | R | 92.3 | Very high | 93.6 | Very high | 70 Ų | 70 | 19.4 Ų | 19.4 | 26% | 0.264 | 10% | 0.096 | S | C | . | . | H | α-helix | trans | -78.1 | -49 | -175.3 | -170.9 | 171.2 | 175.5 | 74.6 | 5.9 | 112.8 | K766 N770 M771 L772 E896 E904 | K766-R768 VanDerWaalsContact C-N 3.29Å; K766-R768 PolarHBondContact O-N 3.24Å; R768-N770 VanDerWaalsContact C-N 3.27Å; R768-N770 PolarHBondContact O-N 3.37Å; R768-M771 PolarHBondContact O-N 3.16Å; R768-M771 VanDerWaalsContact O-N 3.13Å; R768-L772 HydrophobicContact CG-CD1 4.24Å; R768-L772 PolarHBondContact O-N 2.7Å; R768-E896 HydrophobicContact CB-CG 3.91Å; R768-E896 VanDerWaalsContact CD-OE1 3.3Å; R768-E896 WeakPolarHBondContact CD-OE1 3.48Å; R768-E896 HydrophobicContact CG-CG 4.05Å; R768-E896 IonicContact CZ-OE1 2.68Å; R768-E896 IonicContact NE-OE1 3.13Å; R768-E896 IonicContact NH1-OE1 3.89Å; R768-E896 PolarHBondContact NH1-OE1 3.2Å; R768-E904 IonicContact CZ-OE1 2.74Å; R768-E904 IonicContact CZ-OE2 3.83Å; R768-E904 IonicContact NH2-OE1 3.3Å; R768-E904 PolarHBondContact NH2-OE1 2.66Å; R768-E904 IonicContact NH2-OE2 2.69Å; R768-E904 PolarHBondContact NH2-OE2 3.42Å |
| 769 | E | 93.3 | Very high | 93.5 | Very high | 50 Ų | 50 | 19.5 Ų | 19.5 | 23% | 0.234 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -64.1 | -31.4 | 176.1 | -67.6 | 92.8 | 140.4 | 0 | 0 | 112.6 | K766 L773 | K766-E769 HydrophobicContact CB-CB 4.48Å; K766-E769 VanDerWaalsContact CB-OE2 3.28Å; K766-E769 WeakPolarHBondContact CB-OE2 3.22Å; K766-E769 HydrophobicContact CD-CG 4.44Å; K766-E769 WeakPolarHBondContact CD-OE1 3.38Å; K766-E769 VanDerWaalsContact CD-OE2 3.24Å; K766-E769 WeakPolarHBondContact CD-OE2 3.24Å; K766-E769 WeakPolarHBondContact CE-OE1 3.41Å; K766-E769 IonicContact NZ-OE1 3.44Å; K766-E769 PolarHBondContact NZ-OE1 2.73Å; K766-E769 PolarHBondContact O-N 3Å; E769-L773 WeakPolarHBondContact O-CB 3.28Å; E769-L773 PolarHBondContact O-N 2.88Å; E769-L773 VanDerWaalsContact O-N 3.08Å |
| 770 | N | 91.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -58.2 | -47.7 | 170.2 | -71.3 | 7.1 | 0 | 0 | 0 | 110.8 | E765 K766 R768 E774 Q805 E893 | E765-N770 WeakPolarHBondContact CA-OD1 3.32Å; K766-N770 PolarHBondContact N-OD1 2.96Å; K766-N770 WeakPolarHBondContact O-CB 3.48Å; K766-N770 PolarHBondContact O-N 3.32Å; K766-N770 PolarHBondContact O-OD1 2.88Å; R768-N770 VanDerWaalsContact C-N 3.27Å; R768-N770 PolarHBondContact O-N 3.37Å; N770-E774 WeakPolarHBondContact O-CB 3.5Å; N770-E774 WeakPolarHBondContact O-CG 3.48Å; N770-E774 PolarHBondContact O-N 3.33Å; N770-Q805 VanDerWaalsContact OD1-CD 3.26Å; N770-Q805 PolarHBondContact OD1-NE2 2.91Å; N770-Q805 PolarHBondContact OD1-OE1 2.85Å; N770-Q805 VanDerWaalsContact OD1-OE1 3.1Å; N770-E893 PolarHBondContact ND2-OE1 2.91Å |
| 771 | M | 93.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -72.4 | -36.3 | -178.8 | -70.2 | -54.1 | 89.5 | 0 | 0 | 113.7 | T767 R768 E774 L775 E893 L897 I900 | T767-M771 WeakPolarHBondContact O-CG 3.45Å; T767-M771 PolarHBondContact O-N 2.86Å; R768-M771 PolarHBondContact O-N 3.16Å; R768-M771 VanDerWaalsContact O-N 3.13Å; M771-E774 HydrophobicContact CE-CB 4.29Å; M771-E774 HydrophobicContact CE-CG 4.33Å; M771-E774 PolarHBondContact O-N 2.86Å; M771-L775 WeakPolarHBondContact O-CB 3.45Å; M771-L775 PolarHBondContact O-N 2.88Å; M771-E893 HydrophobicContact CE-CB 3.76Å; M771-E893 HydrophobicContact CE-CG 4.05Å; M771-E893 WeakPolarHBondContact CE-OE2 3.43Å; M771-E893 HydrophobicContact CG-CB 4.07Å; M771-E893 HydrophobicContact CG-CG 4.5Å; M771-E893 WeakPolarHBondContact CG-O 3.48Å; M771-E893 HydrophobicContact SD-CB 3.76Å; M771-E893 VanDerWaalsContact SD-O 3.36Å; M771-L897 HydrophobicContact CB-CB 4.39Å; M771-L897 HydrophobicContact CG-CB 4.06Å; M771-L897 HydrophobicContact SD-CB 3.96Å; M771-I900 HydrophobicContact CB-CD1 3.51Å |
| 772 | L | 96.5 | Very high | 92.2 | Very high | 13 Ų | 13 | 22.7 Ų | 22.7 | 7% | 0.068 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -62.2 | -44.3 | 174 | -71.4 | 162.5 | 0 | 0 | 0 | 111 | R768 F776 I900 L905 F908 | R768-L772 HydrophobicContact CG-CD1 4.24Å; R768-L772 PolarHBondContact O-N 2.7Å; L772-F776 WeakPolarHBondContact O-CB 3.29Å; L772-F776 PolarHBondContact O-N 2.88Å; L772-I900 HydrophobicContact CD2-CD1 3.86Å; L772-I900 HydrophobicContact CD2-CG1 4.17Å; L772-I900 HydrophobicContact CD2-CG2 3.76Å; L772-I900 HydrophobicContact CG-CD1 3.83Å; L772-I900 HydrophobicContact CG-CG1 4.5Å; L772-L905 HydrophobicContact CB-CD1 4.32Å; L772-L905 HydrophobicContact CD2-CB 4.47Å; L772-L905 HydrophobicContact CD2-CD1 3.93Å; L772-L905 WeakPolarHBondContact O-CD1 3.45Å; L772-F908 HydrophobicContact CB-CB 4.3Å; L772-F908 HydrophobicContact CB-CD1 3.89Å; L772-F908 HydrophobicContact CB-CD2 3.74Å; L772-F908 HydrophobicContact CB-CE1 4.08Å; L772-F908 HydrophobicContact CB-CE2 3.94Å; L772-F908 HydrophobicContact CB-CG 3.71Å; L772-F908 HydrophobicContact CB-CZ 4.11Å; L772-F908 HydrophobicContact CD1-CB 4.2Å; L772-F908 HydrophobicContact CD1-CD2 3.86Å; L772-F908 HydrophobicContact CD1-CG 4.18Å; L772-F908 HydrophobicContact CD2-CB 4.15Å; L772-F908 HydrophobicContact CD2-CG 4.47Å; L772-F908 HydrophobicContact CG-CB 4.46Å; L772-F908 HydrophobicContact CG-CD2 4.36Å; L772-F908 HydrophobicContact CG-CG 4.34Å |
| 773 | L | 95 | Very high | 91.8 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -67.3 | -45.2 | 176.1 | -178.1 | 58.4 | 0 | 0 | 0 | 112.3 | V762 E769 F776 V777 M798 Q805 L807 F908 | V762-L773 HydrophobicContact CG2-CD1 4.33Å; V762-L773 HydrophobicContact CG2-CD2 4.42Å; E769-L773 WeakPolarHBondContact O-CB 3.28Å; E769-L773 PolarHBondContact O-N 2.88Å; E769-L773 VanDerWaalsContact O-N 3.08Å; L773-F776 PolarHBondContact O-N 2.76Å; L773-V777 HydrophobicContact CD1-CG2 4.25Å; L773-V777 WeakPolarHBondContact O-CG2 3.45Å; L773-V777 PolarHBondContact O-N 3.05Å; L773-M798 HydrophobicContact CD2-CG 4.38Å; L773-M798 HydrophobicContact CD2-SD 4.5Å; L773-M798 HydrophobicContact CG-CG 4.17Å; L773-M798 HydrophobicContact CG-SD 4.16Å; L773-Q805 HydrophobicContact CD2-CB 3.98Å; L773-Q805 HydrophobicContact CD2-CG 3.8Å; L773-L807 HydrophobicContact CD1-CB 4.07Å; L773-F908 HydrophobicContact CB-CE1 4.39Å; L773-F908 HydrophobicContact CB-CZ 4.01Å |
| 774 | E | 92.9 | Very high | 91.2 | Very high | 13 Ų | 13 | 23 Ų | 23 | 6% | 0.061 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -63.6 | -39.9 | 178.8 | -78.8 | -177.6 | -138.5 | 0 | 0 | 112.5 | N770 M771 V777 Q778 M798 R800 L850 R854 | N770-E774 WeakPolarHBondContact O-CB 3.5Å; N770-E774 WeakPolarHBondContact O-CG 3.48Å; N770-E774 PolarHBondContact O-N 3.33Å; M771-E774 HydrophobicContact CE-CB 4.29Å; M771-E774 HydrophobicContact CE-CG 4.33Å; M771-E774 PolarHBondContact O-N 2.86Å; E774-V777 PolarHBondContact O-N 3.21Å; E774-Q778 WeakPolarHBondContact O-CB 3.49Å; E774-Q778 PolarHBondContact O-N 3.32Å; E774-M798 HydrophobicContact CB-SD 4.31Å; E774-M798 HydrophobicContact CG-CE 3.71Å; E774-M798 HydrophobicContact CG-SD 3.43Å; E774-M798 WeakPolarHBondContact CG-SD 3.49Å; E774-R800 IonicContact OE1-CZ 3.63Å; E774-R800 VanDerWaalsContact OE1-CZ 3.24Å; E774-R800 IonicContact OE1-NH1 3.73Å; E774-R800 PolarHBondContact OE1-NH1 2.94Å; E774-R800 IonicContact OE1-NH2 2.72Å; E774-R800 PolarHBondContact OE1-NH2 3.38Å; E774-L850 HydrophobicContact CB-CD1 4.3Å; E774-L850 HydrophobicContact CB-CD2 3.84Å; E774-R854 IonicContact OE1-NH1 3.46Å; E774-R854 PolarHBondContact OE1-NH1 2.9Å; E774-R854 WeakPolarHBondContact OE2-CD 3.46Å; E774-R854 IonicContact OE2-CZ 3.96Å; E774-R854 IonicContact OE2-NE 3.9Å; E774-R854 IonicContact OE2-NH1 3.5Å; E774-R854 PolarHBondContact OE2-NH1 3.36Å |
| 775 | L | 95.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -68.8 | -39.9 | 176.8 | -177.2 | 59.2 | 0 | 0 | 0 | 111.8 | M771 V777 Q778 I779 F843 H846 K847 L850 L897 I900 L905 | M771-L775 WeakPolarHBondContact O-CB 3.45Å; M771-L775 PolarHBondContact O-N 2.88Å; L775-V777 VanDerWaalsContact C-N 3.33Å; L775-V777 PolarHBondContact O-N 3.39Å; L775-Q778 PolarHBondContact O-N 3.22Å; L775-I779 HydrophobicContact CD1-CD1 4.28Å; L775-I779 HydrophobicContact CG-CD1 4.15Å; L775-I779 WeakPolarHBondContact O-CG1 3.47Å; L775-I779 PolarHBondContact O-N 2.86Å; L775-F843 HydrophobicContact CD2-CE2 3.89Å; L775-F843 HydrophobicContact CD2-CZ 3.8Å; L775-H846 HydrophobicContact CD1-CB 4.27Å; L775-K847 HydrophobicContact CD1-CG 3.78Å; L775-K847 HydrophobicContact CD2-CD 4.26Å; L775-K847 HydrophobicContact CD2-CG 3.7Å; L775-K847 HydrophobicContact CG-CG 4.42Å; L775-L850 HydrophobicContact CB-CD2 4.03Å; L775-L850 HydrophobicContact CD1-CD2 4.42Å; L775-L897 HydrophobicContact CB-CD1 4.09Å; L775-L897 HydrophobicContact CD1-CD1 4.28Å; L775-L897 HydrophobicContact CD2-CD1 3.98Å; L775-L897 HydrophobicContact CG-CD1 4.34Å; L775-I900 HydrophobicContact CD2-CG2 3.98Å; L775-L905 HydrophobicContact CD2-CD2 4.09Å; L775-L905 HydrophobicContact CG-CD2 4.01Å |
| 776 | F | 96 | Very high | 89.6 | Confident | 1 Ų | 1 | 25 Ų | 25 | 0% | 0.004 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -60.2 | -45 | 173.3 | -173.3 | -110.5 | 0 | 0 | 0 | 111.5 | L772 L773 Q778 I779 I780 L807 L828 L835 L905 V909 I913 | L772-F776 WeakPolarHBondContact O-CB 3.29Å; L772-F776 PolarHBondContact O-N 2.88Å; L773-F776 PolarHBondContact O-N 2.76Å; F776-Q778 VanDerWaalsContact C-N 3.34Å; F776-Q778 PolarHBondContact O-N 2.95Å; F776-I779 PolarHBondContact O-N 3.41Å; F776-I779 VanDerWaalsContact O-N 3.12Å; F776-I780 HydrophobicContact CD1-CD1 4.22Å; F776-I780 HydrophobicContact CD1-CG2 4.4Å; F776-I780 HydrophobicContact CD2-CG2 4.31Å; F776-I780 HydrophobicContact CE1-CD1 3.84Å; F776-I780 HydrophobicContact CE1-CG2 3.91Å; F776-I780 HydrophobicContact CE2-CG2 3.81Å; F776-I780 HydrophobicContact CZ-CG2 3.6Å; F776-I780 PolarHBondContact O-N 2.82Å; F776-L807 HydrophobicContact CD1-CD2 4.25Å; F776-L807 HydrophobicContact CE1-CD2 3.8Å; F776-L828 HydrophobicContact CE1-CD2 4.31Å; F776-L828 HydrophobicContact CZ-CD2 4.41Å; F776-L835 HydrophobicContact CD2-CD2 4.47Å; F776-L905 HydrophobicContact CB-CD1 4.2Å; F776-V909 HydrophobicContact CD2-CG2 3.35Å; F776-V909 HydrophobicContact CE2-CB 4.49Å; F776-V909 HydrophobicContact CE2-CG1 4.12Å; F776-V909 HydrophobicContact CE2-CG2 3.46Å; F776-V909 VanDerWaalsContact CE2-CG2 3.46Å; F776-V909 HydrophobicContact CG-CG2 4.02Å; F776-V909 HydrophobicContact CZ-CG1 4.32Å; F776-V909 HydrophobicContact CZ-CG2 4.2Å; F776-I913 HydrophobicContact CD1-CD1 3.62Å; F776-I913 HydrophobicContact CE1-CD1 3.82Å; F776-I913 HydrophobicContact CE1-CG2 3.97Å; F776-I913 HydrophobicContact CG-CD1 4.21Å; F776-I913 HydrophobicContact CZ-CG2 4.19Å |
| 777 | V | 92.2 | Very high | 88.9 | Confident | 12 Ų | 12 | 21.1 Ų | 21.1 | 7% | 0.073 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -64.9 | -37.1 | 178.1 | 173 | 0 | 0 | 0 | 0 | 111.7 | L773 E774 L775 I779 Q781 F796 M798 L807 | L773-V777 HydrophobicContact CD1-CG2 4.25Å; L773-V777 WeakPolarHBondContact O-CG2 3.45Å; L773-V777 PolarHBondContact O-N 3.05Å; E774-V777 PolarHBondContact O-N 3.21Å; L775-V777 VanDerWaalsContact C-N 3.33Å; L775-V777 PolarHBondContact O-N 3.39Å; V777-I779 VanDerWaalsContact C-N 3.31Å; V777-I779 PolarHBondContact O-N 2.99Å; V777-Q781 VanDerWaalsContact O-CB 3.25Å; V777-Q781 WeakPolarHBondContact O-CB 3.35Å; V777-Q781 PolarHBondContact O-N 2.59Å; V777-Q781 VanDerWaalsContact O-N 3.1Å; V777-F796 HydrophobicContact CG1-CD2 4.19Å; V777-F796 HydrophobicContact CG1-CE2 3.92Å; V777-M798 HydrophobicContact CB-CG 4.18Å; V777-M798 HydrophobicContact CB-SD 4.47Å; V777-M798 HydrophobicContact CG1-CE 4.43Å; V777-M798 HydrophobicContact CG1-CG 4.17Å; V777-M798 HydrophobicContact CG2-CG 3.48Å; V777-M798 VanDerWaalsContact CG2-CG 3.48Å; V777-M798 HydrophobicContact CG2-SD 4.18Å; V777-L807 HydrophobicContact CG2-CD1 3.66Å |
| 778 | Q | 90.5 | Very high | 87.9 | Confident | 6 Ų | 6 | 18.8 Ų | 18.8 | 3% | 0.028 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -64.6 | -31.7 | 172.3 | 169.3 | 60.6 | 44.8 | 0 | 0 | 113 | T98 E774 L775 F776 H846 S849 L850 | T98-Q778 PolarHBondContact O-NE2 2.72Å; E774-Q778 WeakPolarHBondContact O-CB 3.49Å; E774-Q778 PolarHBondContact O-N 3.32Å; L775-Q778 PolarHBondContact O-N 3.22Å; F776-Q778 VanDerWaalsContact C-N 3.34Å; F776-Q778 PolarHBondContact O-N 2.95Å; Q778-H846 HydrophobicContact CG-CB 4.21Å; Q778-H846 WeakPolarHBondContact CG-O 3.21Å; Q778-H846 PolarHBondContact O-ND1 2.9Å; Q778-H846 VanDerWaalsContact O-ND1 3.1Å; Q778-S849 PolarHBondContact NE2-OG 2.99Å; Q778-S849 VanDerWaalsContact NE2-OG 3.12Å; Q778-L850 HydrophobicContact CB-CB 4.41Å; Q778-L850 HydrophobicContact CG-CB 4.12Å |
| 779 | I | 93.5 | Very high | 86.6 | Confident | 3 Ų | 3 | 19.2 Ų | 19.2 | 2% | 0.015 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -76.8 | -52.1 | 178.2 | -74.1 | 165 | 0 | 0 | 0 | 110.7 | L775 F776 V777 Q781 P783 M831 L835 M838 F843 H846 L905 | L775-I779 HydrophobicContact CD1-CD1 4.28Å; L775-I779 HydrophobicContact CG-CD1 4.15Å; L775-I779 WeakPolarHBondContact O-CG1 3.47Å; L775-I779 PolarHBondContact O-N 2.86Å; F776-I779 PolarHBondContact O-N 3.41Å; F776-I779 VanDerWaalsContact O-N 3.12Å; V777-I779 VanDerWaalsContact C-N 3.31Å; V777-I779 PolarHBondContact O-N 2.99Å; I779-Q781 PolarHBondContact O-N 2.75Å; I779-P783 WeakPolarHBondContact O-CD 3.38Å; I779-M831 HydrophobicContact CG2-CE 4.33Å; I779-L835 HydrophobicContact CD1-CD1 4.01Å; I779-M838 HydrophobicContact CG2-CE 3.83Å; I779-F843 HydrophobicContact CD1-CD2 4.07Å; I779-F843 HydrophobicContact CD1-CE2 4.19Å; I779-H846 HydrophobicContact CD1-CB 4.38Å; I779-H846 HydrophobicContact CG1-CB 3.69Å; I779-L905 HydrophobicContact CD1-CD2 3.58Å |
| 780 | I | 91.1 | Very high | 85 | Confident | 1 Ų | 1 | 17.5 Ų | 17.5 | 1% | 0.005 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -73.8 | -8.6 | -178 | 72.4 | 172.9 | 0 | 0 | 0 | 113.6 | F776 E782 C784 L807 F827 M831 | F776-I780 HydrophobicContact CD1-CD1 4.22Å; F776-I780 HydrophobicContact CD1-CG2 4.4Å; F776-I780 HydrophobicContact CD2-CG2 4.31Å; F776-I780 HydrophobicContact CE1-CD1 3.84Å; F776-I780 HydrophobicContact CE1-CG2 3.91Å; F776-I780 HydrophobicContact CE2-CG2 3.81Å; F776-I780 HydrophobicContact CZ-CG2 3.6Å; F776-I780 PolarHBondContact O-N 2.82Å; I780-E782 PolarHBondContact O-N 2.93Å; I780-C784 WeakPolarHBondContact O-CB 3.48Å; I780-C784 PolarHBondContact O-N 2.83Å; I780-L807 HydrophobicContact CD1-CD1 3.96Å; I780-L807 HydrophobicContact CD1-CD2 4.45Å; I780-F827 HydrophobicContact CB-CE1 4.29Å; I780-F827 HydrophobicContact CB-CZ 4.16Å; I780-M831 HydrophobicContact CB-CG 4.3Å; I780-M831 HydrophobicContact CG2-CB 3.97Å; I780-M831 HydrophobicContact CG2-CE 4.12Å; I780-M831 HydrophobicContact CG2-CG 3.76Å |
| 781 | Q | 84.9 | Confident | 83.3 | Confident | 58 Ų | 58 | 22 Ų | 22 | 27% | 0.271 | 10% | 0.102 | S | C | . | . | H | α-helix | trans | -54.6 | -51.8 | -171.7 | 156.8 | 150.8 | 41.3 | 0 | 0 | 113 | T98 V777 I779 F785 F796 | T98-Q781 HydrophobicContact CG2-CB 4.23Å; T98-Q781 HydrophobicContact CG2-CG 3.78Å; V777-Q781 VanDerWaalsContact O-CB 3.25Å; V777-Q781 WeakPolarHBondContact O-CB 3.35Å; V777-Q781 PolarHBondContact O-N 2.59Å; V777-Q781 VanDerWaalsContact O-N 3.1Å; I779-Q781 PolarHBondContact O-N 2.75Å; Q781-F785 PolarHBondContact O-N 3.32Å; Q781-F796 HydrophobicContact CB-CE1 4.21Å; Q781-F796 HydrophobicContact CB-CE2 3.68Å; Q781-F796 HydrophobicContact CB-CZ 3.39Å; Q781-F796 HydrophobicContact CG-CE1 4.1Å; Q781-F796 HydrophobicContact CG-CE2 4.18Å; Q781-F796 HydrophobicContact CG-CZ 3.41Å; Q781-F796 VanDerWaalsContact CG-CZ 3.41Å; Q781-F796 WeakPolarHBondContact O-CE1 3.27Å |
| 782 | E | 85.1 | Confident | 81.5 | Confident | 9 Ų | 9 | 23.9 Ų | 23.9 | 4% | 0.042 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -83 | -44.3 | -176.5 | -169.1 | -79 | 159.7 | 0 | 0 | 112.5 | N91 Q94 N95 T98 I780 C784 F785 D786 | N91-E782 VanDerWaalsContact CB-OE1 3.31Å; N91-E782 WeakPolarHBondContact CB-OE1 3.48Å; N91-E782 PolarHBondContact ND2-OE1 2.75Å; N91-E782 PolarHBondContact ND2-OE2 2.83Å; Q94-E782 HydrophobicContact CB-CG 4.4Å; Q94-E782 HydrophobicContact CG-CG 3.85Å; N95-E782 HydrophobicContact CB-CG 4.39Å; T98-E782 HydrophobicContact CG2-CB 3.87Å; I780-E782 PolarHBondContact O-N 2.93Å; E782-C784 PolarHBondContact O-N 2.87Å; E782-F785 CarbonylContact O-C 3.57Å; E782-F785 WeakPolarHBondContact O-CA 3.34Å; E782-F785 WeakPolarHBondContact O-CB 3.27Å; E782-F785 PolarHBondContact O-N 3.24Å; E782-D786 PolarHBondContact O-N 2.79Å |
| 783 | P | 87.2 | Confident | 79.1 | Confident | 29 Ų | 29 | 25 Ų | 25 | 19% | 0.188 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -57.1 | -34.2 | 172.7 | -29.9 | 37.7 | 0 | 0 | 0 | 113.4 | I779 F785 Q787 F827 M831 | I779-P783 WeakPolarHBondContact O-CD 3.38Å; P783-F785 VanDerWaalsContact C-N 3.34Å; P783-Q787 WeakPolarHBondContact O-CB 3.5Å; P783-Q787 PolarHBondContact O-N 2.73Å; P783-F827 HydrophobicContact CB-CE2 4.12Å; P783-F827 HydrophobicContact CB-CZ 4.36Å; P783-M831 HydrophobicContact CB-CE 3.89Å; P783-M831 HydrophobicContact CB-SD 3.47Å; P783-M831 WeakPolarHBondContact CB-SD 3.29Å; P783-M831 HydrophobicContact CG-CE 3.87Å; P783-M831 HydrophobicContact CG-SD 4.15Å |
| 784 | C | 81.1 | Confident | 77.1 | Confident | 1 Ų | 1 | 25.7 Ų | 25.7 | 1% | 0.007 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -66.9 | -35.8 | 172.1 | -174.6 | 0 | 0 | 0 | 0 | 111.5 | I780 E782 L788 R789 F796 F827 | I780-C784 WeakPolarHBondContact O-CB 3.48Å; I780-C784 PolarHBondContact O-N 2.83Å; E782-C784 PolarHBondContact O-N 2.87Å; C784-L788 CarbonylContact O-C 3.56Å; C784-L788 WeakPolarHBondContact O-CA 3.38Å; C784-L788 WeakPolarHBondContact O-CB 3.41Å; C784-L788 PolarHBondContact O-N 3.06Å; C784-R789 PolarHBondContact O-N 3.17Å; C784-F796 HydrophobicContact CB-CD1 3.81Å; C784-F796 HydrophobicContact CB-CG 4.18Å; C784-F827 HydrophobicContact CB-CE1 3.78Å; C784-F827 HydrophobicContact CB-CE2 4.28Å; C784-F827 HydrophobicContact CB-CZ 3.48Å; C784-F827 VanDerWaalsContact CB-CZ 3.48Å |
| 785 | F | 74.1 | Confident | 74.9 | Confident | 75 Ų | 75 | 26.4 Ų | 26.4 | 33% | 0.329 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -76.5 | -39.3 | 177.8 | -166.8 | -82.9 | 0 | 0 | 0 | 111.7 | Q781 E782 P783 R789 T790 | Q781-F785 PolarHBondContact O-N 3.32Å; E782-F785 CarbonylContact O-C 3.57Å; E782-F785 WeakPolarHBondContact O-CA 3.34Å; E782-F785 WeakPolarHBondContact O-CB 3.27Å; E782-F785 PolarHBondContact O-N 3.24Å; P783-F785 VanDerWaalsContact C-N 3.34Å; F785-R789 HydrophobicContact CD1-CB 4.28Å; F785-R789 HydrophobicContact CD2-CB 4.3Å; F785-R789 HydrophobicContact CE1-CB 4.46Å; F785-R789 VanDerWaalsContact CE2-CD 3.48Å; F785-R789 HydrophobicContact CG-CB 4.22Å; F785-R789 VanDerWaalsContact CZ-NH1 3.28Å; F785-R789 CarbonylContact O-C 3.49Å; F785-R789 WeakPolarHBondContact O-CA 3.49Å; F785-R789 WeakPolarHBondContact O-CB 3.32Å; F785-R789 PolarHBondContact O-N 3.06Å; F785-T790 PolarHBondContact O-N 3.1Å; F785-T790 PolarHBondContact O-OG1 3.14Å |
| 786 | D | 76.7 | Confident | 73.5 | Confident | 20 Ų | 20 | 28.9 Ų | 28.9 | 11% | 0.107 | 14% | 0.141 | C | C | . | . | I | π-helix | trans | -69.8 | -61.9 | 175.6 | 173 | 67.8 | 0 | 0 | 0 | 111.6 | N91 E782 L788 T790 K791 | N91-D786 HydrophobicContact CB-CB 4.39Å; E782-D786 PolarHBondContact O-N 2.79Å; D786-L788 VanDerWaalsContact C-N 3.29Å; D786-L788 PolarHBondContact O-N 3.45Å; D786-T790 WeakPolarHBondContact O-CB 3.34Å; D786-T790 PolarHBondContact O-N 2.94Å; D786-K791 PolarHBondContact O-N 3.01Å; D786-K791 VanDerWaalsContact O-N 3.1Å; D786-K791 IonicContact OD1-NZ 2.67Å; D786-K791 WeakPolarHBondContact OD2-CE 3.25Å; D786-K791 IonicContact OD2-NZ 2.72Å; D786-K791 PolarHBondContact OD2-NZ 2.63Å |
| 787 | Q | 74.5 | Confident | 71.9 | Confident | 33 Ų | 33 | 29.7 Ų | 29.7 | 15% | 0.154 | 15% | 0.15 | C | C | . | . | I | π-helix | trans | -64 | -39.5 | -177.8 | -175.6 | 54.7 | 43.6 | 0 | 0 | 111.2 | P783 K791 E792 F827 | P783-Q787 WeakPolarHBondContact O-CB 3.5Å; P783-Q787 PolarHBondContact O-N 2.73Å; Q787-K791 WeakPolarHBondContact O-CB 3.11Å; Q787-K791 VanDerWaalsContact OE1-NZ 3.16Å; Q787-E792 PolarHBondContact NE2-OE1 2.97Å; Q787-E792 WeakPolarHBondContact O-CG 3.25Å; Q787-F827 HydrophobicContact CB-CD2 4.28Å; Q787-F827 HydrophobicContact CB-CE2 4.42Å; Q787-F827 HydrophobicContact CG-CD2 4.33Å |
| 788 | L | 68.7 | Low | 70.5 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.163 | C | C | . | . | I | π-helix | trans | -104.3 | -13.3 | -173.2 | -51 | 170.9 | 0 | 0 | 0 | 115.2 | C784 D786 E792 Q793 L794 F827 | C784-L788 CarbonylContact O-C 3.56Å; C784-L788 WeakPolarHBondContact O-CA 3.38Å; C784-L788 WeakPolarHBondContact O-CB 3.41Å; C784-L788 PolarHBondContact O-N 3.06Å; D786-L788 VanDerWaalsContact C-N 3.29Å; D786-L788 PolarHBondContact O-N 3.45Å; L788-E792 HydrophobicContact CD2-CB 4.48Å; L788-E792 CarbonylContact O-C 3.49Å; L788-Q793 CarbonylContact O-C 3.53Å; L788-Q793 VanDerWaalsContact O-C 3.23Å; L788-Q793 VanDerWaalsContact O-CA 3.28Å; L788-Q793 WeakPolarHBondContact O-CA 3.31Å; L788-Q793 PolarHBondContact O-N 3.36Å; L788-L794 HydrophobicContact CB-CB 3.65Å; L788-L794 HydrophobicContact CB-CD1 3.78Å; L788-L794 HydrophobicContact CB-CG 3.71Å; L788-L794 HydrophobicContact CD1-CD1 3.99Å; L788-L794 HydrophobicContact CD2-CD1 4Å; L788-L794 HydrophobicContact CG-CD1 4.15Å; L788-L794 WeakPolarHBondContact O-CA 3.28Å; L788-L794 VanDerWaalsContact O-CB 3.28Å; L788-L794 WeakPolarHBondContact O-CB 3.41Å; L788-L794 VanDerWaalsContact O-CG 3.25Å; L788-L794 WeakPolarHBondContact O-CG 3.43Å; L788-L794 PolarHBondContact O-N 2.86Å; L788-F827 HydrophobicContact CD1-CB 3.7Å; L788-F827 HydrophobicContact CD1-CD1 3.48Å; L788-F827 VanDerWaalsContact CD1-CD1 3.48Å; L788-F827 HydrophobicContact CD1-CD2 3.86Å; L788-F827 HydrophobicContact CD1-CE1 4.07Å; L788-F827 HydrophobicContact CD1-CE2 4.4Å; L788-F827 HydrophobicContact CD1-CG 3.37Å; L788-F827 HydrophobicContact CD2-CB 4.14Å; L788-F827 HydrophobicContact CD2-CG 4.43Å; L788-F827 HydrophobicContact CG-CB 4.21Å; L788-F827 HydrophobicContact CG-CD1 4.5Å; L788-F827 HydrophobicContact CG-CD2 4.01Å; L788-F827 HydrophobicContact CG-CG 3.97Å |
| 789 | R | 63.8 | Low | 70.3 | Confident | 80 Ų | 80 | 33.1 Ų | 33.1 | 30% | 0.302 | 17% | 0.165 | S | C | . | . | I | π-helix | trans | -103 | -61 | 164.6 | -166.9 | -169 | 177.2 | 171.6 | -4.6 | 112.4 | E155 C784 F785 K791 E792 Q793 | E155-R789 IonicContact OE1-CZ 2.74Å; E155-R789 IonicContact OE1-NH2 2.78Å; E155-R789 PolarHBondContact OE1-NH2 3.49Å; C784-R789 PolarHBondContact O-N 3.17Å; F785-R789 HydrophobicContact CD1-CB 4.28Å; F785-R789 HydrophobicContact CD2-CB 4.3Å; F785-R789 HydrophobicContact CE1-CB 4.46Å; F785-R789 VanDerWaalsContact CE2-CD 3.48Å; F785-R789 HydrophobicContact CG-CB 4.22Å; F785-R789 VanDerWaalsContact CZ-NH1 3.28Å; F785-R789 CarbonylContact O-C 3.49Å; F785-R789 WeakPolarHBondContact O-CA 3.49Å; F785-R789 WeakPolarHBondContact O-CB 3.32Å; F785-R789 PolarHBondContact O-N 3.06Å; R789-K791 PolarHBondContact O-N 2.88Å; R789-K791 VanDerWaalsContact O-N 3.12Å; R789-E792 PolarHBondContact O-N 3.06Å; R789-Q793 PolarHBondContact O-N 2.64Å |
| 790 | T | 60.2 | Low | 69.7 | Low | 14 Ų | 14 | 37.5 Ų | 37.5 | 9% | 0.086 | 18% | 0.181 | C | C | . | . | I | π-helix | trans | -60.7 | -23.1 | -175.9 | -47.9 | 0 | 0 | 0 | 0 | 113 | M82 F785 D786 | M82-T790 HydrophobicContact CE-CG2 3.73Å; M82-T790 HydrophobicContact SD-CG2 3.9Å; F785-T790 PolarHBondContact O-N 3.1Å; F785-T790 PolarHBondContact O-OG1 3.14Å; D786-T790 WeakPolarHBondContact O-CB 3.34Å; D786-T790 PolarHBondContact O-N 2.94Å |
| 791 | K | 56.7 | Low | 69.4 | Low | 94 Ų | 94 | 38.4 Ų | 38.4 | 41% | 0.409 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -113.3 | -23.1 | 172.4 | -52.4 | 169.6 | -167.9 | 139.3 | 0 | 114.4 | D786 Q787 R789 | D786-K791 PolarHBondContact O-N 3.01Å; D786-K791 VanDerWaalsContact O-N 3.1Å; D786-K791 IonicContact OD1-NZ 2.67Å; D786-K791 WeakPolarHBondContact OD2-CE 3.25Å; D786-K791 IonicContact OD2-NZ 2.72Å; D786-K791 PolarHBondContact OD2-NZ 2.63Å; Q787-K791 WeakPolarHBondContact O-CB 3.11Å; Q787-K791 VanDerWaalsContact OE1-NZ 3.16Å; R789-K791 PolarHBondContact O-N 2.88Å; R789-K791 VanDerWaalsContact O-N 3.12Å |
| 792 | E | 54.6 | Low | 69.4 | Low | 39 Ų | 39 | 38.4 Ų | 38.4 | 18% | 0.182 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -142.4 | 2.5 | -171.4 | -53.2 | 178.7 | -141.6 | 0 | 0 | 118.2 | Q787 L788 R789 L794 R823 | Q787-E792 PolarHBondContact NE2-OE1 2.97Å; Q787-E792 WeakPolarHBondContact O-CG 3.25Å; L788-E792 HydrophobicContact CD2-CB 4.48Å; L788-E792 CarbonylContact O-C 3.49Å; R789-E792 PolarHBondContact O-N 3.06Å; E792-L794 WeakPolarHBondContact O-CD2 3.4Å; E792-R823 IonicContact OE1-CZ 2.89Å; E792-R823 IonicContact OE1-NE 2.9Å; E792-R823 PolarHBondContact OE1-NE 3.07Å; E792-R823 IonicContact OE1-NH2 3.73Å; E792-R823 PolarHBondContact OE1-NH2 2.56Å; E792-R823 WeakPolarHBondContact OE2-CB 3.17Å; E792-R823 VanDerWaalsContact OE2-CG 3.29Å; E792-R823 WeakPolarHBondContact OE2-CG 3.24Å; E792-R823 IonicContact OE2-CZ 3.26Å; E792-R823 IonicContact OE2-NE 3.22Å; E792-R823 PolarHBondContact OE2-NE 3.33Å; E792-R823 IonicContact OE2-NH2 2.92Å |
| 793 | Q | 47.4 | Very low | 69.4 | Low | 37 Ų | 37 | 38.5 Ų | 38.5 | 17% | 0.173 | 19% | 0.193 | C | C | . | . | trans | 60 | 61.9 | 178.2 | -52.9 | -173.3 | 0.8 | 0 | 0 | 121.6 | N150 S154 L788 R789 | N150-Q793 PolarHBondContact O-NE2 3.07Å; S154-Q793 PolarHBondContact OG-OE1 3.24Å; L788-Q793 CarbonylContact O-C 3.53Å; L788-Q793 VanDerWaalsContact O-C 3.23Å; L788-Q793 VanDerWaalsContact O-CA 3.28Å; L788-Q793 WeakPolarHBondContact O-CA 3.31Å; L788-Q793 PolarHBondContact O-N 3.36Å; R789-Q793 PolarHBondContact O-N 2.64Å | ||
| 794 | L | 51.8 | Low | 69.7 | Low | 15 Ų | 15 | 37.2 Ų | 37.2 | 8% | 0.079 | 18% | 0.184 | C | C | . | . | trans | -134.2 | 169.8 | -173.5 | -50.5 | -159.8 | 0 | 0 | 0 | 114.4 | L788 E792 V811 V820 I824 | L788-L794 HydrophobicContact CB-CB 3.65Å; L788-L794 HydrophobicContact CB-CD1 3.78Å; L788-L794 HydrophobicContact CB-CG 3.71Å; L788-L794 HydrophobicContact CD1-CD1 3.99Å; L788-L794 HydrophobicContact CD2-CD1 4Å; L788-L794 HydrophobicContact CG-CD1 4.15Å; L788-L794 WeakPolarHBondContact O-CA 3.28Å; L788-L794 VanDerWaalsContact O-CB 3.28Å; L788-L794 WeakPolarHBondContact O-CB 3.41Å; L788-L794 VanDerWaalsContact O-CG 3.25Å; L788-L794 WeakPolarHBondContact O-CG 3.43Å; L788-L794 PolarHBondContact O-N 2.86Å; E792-L794 WeakPolarHBondContact O-CD2 3.4Å; L794-V811 HydrophobicContact CB-CG2 3.78Å; L794-V811 HydrophobicContact CD1-CG2 3.57Å; L794-V811 HydrophobicContact CD2-CB 3.85Å; L794-V811 HydrophobicContact CD2-CG1 3.28Å; L794-V811 HydrophobicContact CD2-CG2 3.35Å; L794-V811 HydrophobicContact CG-CG2 3.71Å; L794-V820 HydrophobicContact CD1-CG1 4.18Å; L794-V820 HydrophobicContact CD2-CG1 4.2Å; L794-I824 HydrophobicContact CD1-CG1 4.01Å | ||
| 795 | G | 48 | Very low | 70.3 | Confident | 28 Ų | 28 | 37.2 Ų | 37.2 | 29% | 0.289 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 165.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115 | V809 I810 | G795-V809 WeakPolarHBondContact O-CG1 3.03Å; G795-I810 CarbonylContact C-O 3.23Å; G795-I810 WeakPolarHBondContact CA-O 3.46Å; G795-I810 PolarHBondContact N-O 2.91Å; G795-I810 CarbonylContact O-C 3.5Å; G795-I810 PolarHBondContact O-N 2.93Å |
| 796 | F | 64.4 | Low | 71.3 | Confident | 51 Ų | 51 | 33.6 Ų | 33.6 | 22% | 0.224 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 169.8 | -169.8 | 74.7 | -76.6 | 0 | 0 | 0 | 113.5 | V777 Q781 C784 R808 | V777-F796 HydrophobicContact CG1-CD2 4.19Å; V777-F796 HydrophobicContact CG1-CE2 3.92Å; Q781-F796 HydrophobicContact CB-CE1 4.21Å; Q781-F796 HydrophobicContact CB-CE2 3.68Å; Q781-F796 HydrophobicContact CB-CZ 3.39Å; Q781-F796 HydrophobicContact CG-CE1 4.1Å; Q781-F796 HydrophobicContact CG-CE2 4.18Å; Q781-F796 HydrophobicContact CG-CZ 3.41Å; Q781-F796 VanDerWaalsContact CG-CZ 3.41Å; Q781-F796 WeakPolarHBondContact O-CE1 3.27Å; C784-F796 HydrophobicContact CB-CD1 3.81Å; C784-F796 HydrophobicContact CB-CG 4.18Å; F796-R808 CarbonylContact C-O 3.52Å |
| 797 | G | 62.9 | Low | 72.2 | Confident | 18 Ų | 18 | 32.7 Ų | 32.7 | 19% | 0.186 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 173.3 | -158.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | R808 | G797-R808 CarbonylContact C-O 3.53Å; G797-R808 PolarHBondContact N-O 2.92Å; G797-R808 PolarHBondContact O-N 3.28Å |
| 798 | M | 63.9 | Low | 73.1 | Confident | 71 Ų | 71 | 33.7 Ų | 33.7 | 35% | 0.35 | 17% | 0.166 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 155.8 | 171.1 | -66.1 | 170.8 | -74.5 | 0 | 0 | 110.9 | L773 E774 V777 | L773-M798 HydrophobicContact CD2-CG 4.38Å; L773-M798 HydrophobicContact CD2-SD 4.5Å; L773-M798 HydrophobicContact CG-CG 4.17Å; L773-M798 HydrophobicContact CG-SD 4.16Å; E774-M798 HydrophobicContact CB-SD 4.31Å; E774-M798 HydrophobicContact CG-CE 3.71Å; E774-M798 HydrophobicContact CG-SD 3.43Å; E774-M798 WeakPolarHBondContact CG-SD 3.49Å; V777-M798 HydrophobicContact CB-CG 4.18Å; V777-M798 HydrophobicContact CB-SD 4.47Å; V777-M798 HydrophobicContact CG1-CE 4.43Å; V777-M798 HydrophobicContact CG1-CG 4.17Å; V777-M798 HydrophobicContact CG2-CG 3.48Å; V777-M798 VanDerWaalsContact CG2-CG 3.48Å; V777-M798 HydrophobicContact CG2-SD 4.18Å |
| 799 | R | 84.7 | Confident | 74.1 | Confident | 19 Ų | 19 | 33.8 Ų | 33.8 | 7% | 0.072 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 126.6 | 164.3 | -168.8 | 174.1 | 159.8 | -76 | -2.7 | 109.2 | E733 L759 Q805 G806 R808 | E733-R799 IonicContact OE1-CZ 3Å; E733-R799 IonicContact OE1-NH1 3.66Å; E733-R799 PolarHBondContact OE1-NH1 2.8Å; E733-R799 IonicContact OE1-NH2 3.79Å; E733-R799 IonicContact OE2-CZ 3.6Å; E733-R799 VanDerWaalsContact OE2-CZ 3.25Å; E733-R799 IonicContact OE2-NH1 3.51Å; E733-R799 PolarHBondContact OE2-NH1 3.32Å; E733-R799 IonicContact OE2-NH2 2.81Å; E733-R799 PolarHBondContact OE2-NH2 3.01Å; L759-R799 HydrophobicContact CD1-CB 3.78Å; R799-Q805 VanDerWaalsContact O-CA 3.26Å; R799-Q805 WeakPolarHBondContact O-CA 3.41Å; R799-G806 PolarHBondContact N-O 2.94Å; R799-G806 PolarHBondContact O-N 3.04Å; R799-R808 HydrophobicContact CB-CB 4.25Å |
| 800 | R | 82.5 | Confident | 75.3 | Confident | 95 Ų | 95 | 31.7 Ų | 31.7 | 36% | 0.358 | 16% | 0.161 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 131.6 | 164 | -76.4 | -172.8 | 174 | 135.5 | 12.1 | 109.2 | E765 E774 T804 Q805 | E765-R800 IonicContact OE2-NE 3.81Å; E774-R800 IonicContact OE1-CZ 3.63Å; E774-R800 VanDerWaalsContact OE1-CZ 3.24Å; E774-R800 IonicContact OE1-NH1 3.73Å; E774-R800 PolarHBondContact OE1-NH1 2.94Å; E774-R800 IonicContact OE1-NH2 2.72Å; E774-R800 PolarHBondContact OE1-NH2 3.38Å; R800-T804 CarbonylContact C-O 3.59Å; R800-T804 VanDerWaalsContact CA-O 3.3Å; R800-T804 WeakPolarHBondContact CA-O 3.32Å; R800-Q805 HydrophobicContact CG-CB 3.95Å; R800-Q805 VanDerWaalsContact NH2-OE1 3.08Å |
| 801 | A | 83.1 | Confident | 76.5 | Confident | 21 Ų | 21 | 31.1 Ų | 31.1 | 17% | 0.174 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.7 | 139.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | E733 G803 T804 | E733-A801 WeakPolarHBondContact OE2-CB 3.47Å; A801-G803 PolarHBondContact O-N 3.02Å; A801-T804 PolarHBondContact N-O 3.44Å; A801-T804 PolarHBondContact O-N 3.2Å; A801-T804 PolarHBondContact O-OG1 3.42Å |
| 802 | H | 85.3 | Confident | 77.9 | Confident | 57 Ų | 57 | 27.9 Ų | 27.9 | 26% | 0.264 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.6 | 30.6 | 175.2 | -50.5 | -61.7 | 0 | 0 | 0 | 115.4 | S656 E733 | S656-H802 PolarHBondContact OG-NE2 3.41Å; S656-H802 VanDerWaalsContact OG-NE2 3.15Å; E733-H802 HydrophobicContact CB-CB 4.24Å |
| 803 | G | 86.3 | Confident | 79.3 | Confident | 12 Ų | 12 | 26.2 Ų | 26.2 | 12% | 0.124 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.7 | 15.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | V764 E765 A801 | V764-G803 WeakPolarHBondContact CA-O 3.46Å; V764-G803 WeakPolarHBondContact CG1-O 3.36Å; E765-G803 PolarHBondContact N-O 3.1Å; E765-G803 VanDerWaalsContact OE1-C 3.28Å; E765-G803 WeakPolarHBondContact OE1-CA 3.48Å; A801-G803 PolarHBondContact O-N 3.02Å |
| 804 | T | 93.4 | Very high | 80.8 | Confident | 1 Ų | 1 | 28.6 Ų | 28.6 | 1% | 0.006 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 157.2 | -179.8 | 68.1 | 0 | 0 | 0 | 0 | 112 | E733 G763 E765 R800 A801 Y965 | E733-T804 HydrophobicContact CB-CG2 3.96Å; E733-T804 VanDerWaalsContact CB-OG1 3.28Å; E733-T804 WeakPolarHBondContact CB-OG1 3.13Å; E733-T804 WeakPolarHBondContact CG-OG1 3.25Å; E733-T804 PolarHBondContact OE1-OG1 2.94Å; G763-T804 CarbonylContact O-C 3.54Å; G763-T804 VanDerWaalsContact O-CA 3.26Å; G763-T804 WeakPolarHBondContact O-CA 3.49Å; G763-T804 WeakPolarHBondContact O-CB 3.42Å; E765-T804 PolarHBondContact OE1-N 2.94Å; R800-T804 CarbonylContact C-O 3.59Å; R800-T804 VanDerWaalsContact CA-O 3.3Å; R800-T804 WeakPolarHBondContact CA-O 3.32Å; A801-T804 PolarHBondContact N-O 3.44Å; A801-T804 PolarHBondContact O-N 3.2Å; A801-T804 PolarHBondContact O-OG1 3.42Å; T804-Y965 HydrophobicContact CG2-CD1 4.5Å; T804-Y965 HydrophobicContact CG2-CD2 3.85Å; T804-Y965 HydrophobicContact CG2-CG 3.76Å |
| 805 | Q | 93.7 | Very high | 82.3 | Confident | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 155.4 | -175.6 | 69.8 | -171.5 | -20.8 | 0 | 0 | 114.7 | V762 G763 E765 N770 L773 R799 R800 | V762-Q805 PolarHBondContact N-O 2.74Å; G763-Q805 PolarHBondContact N-O 3.48Å; G763-Q805 PolarHBondContact O-N 2.95Å; E765-Q805 HydrophobicContact CG-CB 4.31Å; N770-Q805 VanDerWaalsContact OD1-CD 3.26Å; N770-Q805 PolarHBondContact OD1-NE2 2.91Å; N770-Q805 PolarHBondContact OD1-OE1 2.85Å; N770-Q805 VanDerWaalsContact OD1-OE1 3.1Å; L773-Q805 HydrophobicContact CD2-CB 3.98Å; L773-Q805 HydrophobicContact CD2-CG 3.8Å; R799-Q805 VanDerWaalsContact O-CA 3.26Å; R799-Q805 WeakPolarHBondContact O-CA 3.41Å; R800-Q805 HydrophobicContact CG-CB 3.95Å; R800-Q805 VanDerWaalsContact NH2-OE1 3.08Å |
| 806 | G | 95.4 | Very high | 84.2 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.6 | 162.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | L760 R799 | L760-G806 CarbonylContact O-C 3.55Å; L760-G806 WeakPolarHBondContact O-CA 3.46Å; R799-G806 PolarHBondContact N-O 2.94Å; R799-G806 PolarHBondContact O-N 3.04Å |
| 807 | L | 95 | Very high | 85.4 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 133.3 | 171.3 | 176.9 | 66.9 | 0 | 0 | 0 | 109.4 | L759 L760 L773 F776 V777 I780 L828 I913 | L759-L807 WeakPolarHBondContact CA-O 3.36Å; L760-L807 HydrophobicContact CB-CB 4.41Å; L760-L807 HydrophobicContact CD1-CD2 4.35Å; L760-L807 PolarHBondContact N-O 3.2Å; L760-L807 PolarHBondContact O-N 3.46Å; L773-L807 HydrophobicContact CD1-CB 4.07Å; F776-L807 HydrophobicContact CD1-CD2 4.25Å; F776-L807 HydrophobicContact CE1-CD2 3.8Å; V777-L807 HydrophobicContact CG2-CD1 3.66Å; I780-L807 HydrophobicContact CD1-CD1 3.96Å; I780-L807 HydrophobicContact CD1-CD2 4.45Å; L807-L828 HydrophobicContact CD2-CD2 3.96Å; L807-I913 HydrophobicContact CD2-CD1 4.4Å; L807-I913 HydrophobicContact CD2-CG2 4.09Å |
| 808 | R | 92.6 | Very high | 86.6 | Confident | 54 Ų | 54 | 33.2 Ų | 33.2 | 20% | 0.204 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 127.6 | -176.2 | -171.6 | -166.2 | -167.9 | -155.1 | -10.1 | 110.3 | E757 L758 L759 F796 G797 R799 I810 | E757-R808 HydrophobicContact CG-CG 4.03Å; E757-R808 IonicContact OE1-CZ 3.26Å; E757-R808 IonicContact OE1-NE 3.82Å; E757-R808 PolarHBondContact OE1-NE 2.89Å; E757-R808 IonicContact OE1-NH2 2.64Å; E757-R808 IonicContact OE2-CZ 2.66Å; E757-R808 IonicContact OE2-NE 3.96Å; E757-R808 PolarHBondContact OE2-NE 3.46Å; E757-R808 IonicContact OE2-NH2 3.24Å; E757-R808 PolarHBondContact OE2-NH2 3.15Å; L758-R808 CarbonylContact O-C 3.53Å; L758-R808 WeakPolarHBondContact O-CA 3.47Å; L759-R808 HydrophobicContact CD1-CB 4.23Å; F796-R808 CarbonylContact C-O 3.52Å; G797-R808 CarbonylContact C-O 3.53Å; G797-R808 PolarHBondContact N-O 2.92Å; G797-R808 PolarHBondContact O-N 3.28Å; R799-R808 HydrophobicContact CB-CB 4.25Å; R808-I810 HydrophobicContact CG-CG1 4.09Å |
| 809 | V | 90.6 | Very high | 87.7 | Confident | 2 Ų | 2 | 34.1 Ų | 34.1 | 1% | 0.012 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 129.8 | 172.2 | -172.1 | 0 | 0 | 0 | 0 | 108 | E757 L758 G795 I824 | E757-V809 CarbonylContact C-O 3.47Å; E757-V809 VanDerWaalsContact CA-O 3.32Å; E757-V809 WeakPolarHBondContact CA-O 3.46Å; L758-V809 PolarHBondContact N-O 3.3Å; L758-V809 PolarHBondContact O-N 3.05Å; G795-V809 WeakPolarHBondContact O-CG1 3.03Å; V809-I824 HydrophobicContact CB-CD1 4.23Å; V809-I824 HydrophobicContact CB-CG2 4.13Å; V809-I824 HydrophobicContact CG1-CD1 3.74Å; V809-I824 HydrophobicContact CG1-CG1 3.93Å; V809-I824 HydrophobicContact CG1-CG2 4.08Å; V809-I824 HydrophobicContact CG2-CG2 4.05Å |
| 810 | I | 88.6 | Confident | 87.8 | Confident | 36 Ų | 36 | 33.5 Ų | 33.5 | 19% | 0.185 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 130.8 | -177.1 | -42.6 | 168.6 | 0 | 0 | 0 | 109.4 | I756 E757 G795 R808 | I756-I810 WeakPolarHBondContact O-CA 3.33Å; E757-I810 HydrophobicContact CG-CG1 4.33Å; G795-I810 CarbonylContact C-O 3.23Å; G795-I810 WeakPolarHBondContact CA-O 3.46Å; G795-I810 PolarHBondContact N-O 2.91Å; G795-I810 CarbonylContact O-C 3.5Å; G795-I810 PolarHBondContact O-N 2.93Å; R808-I810 HydrophobicContact CG-CG1 4.09Å |
| 811 | V | 86.4 | Confident | 88.2 | Confident | 3 Ų | 3 | 29.2 Ų | 29.2 | 2% | 0.018 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 143.1 | 179.8 | 169.7 | 0 | 0 | 0 | 0 | 110.1 | A755 I756 L794 V820 I824 | A755-V811 WeakPolarHBondContact CA-O 3.46Å; A755-V811 WeakPolarHBondContact CB-O 3.39Å; I756-V811 HydrophobicContact CG2-CB 3.77Å; I756-V811 HydrophobicContact CG2-CG1 4.47Å; I756-V811 HydrophobicContact CG2-CG2 4.08Å; I756-V811 PolarHBondContact N-O 2.88Å; I756-V811 VanDerWaalsContact N-O 3.14Å; I756-V811 PolarHBondContact O-N 3.18Å; L794-V811 HydrophobicContact CB-CG2 3.78Å; L794-V811 HydrophobicContact CD1-CG2 3.57Å; L794-V811 HydrophobicContact CD2-CB 3.85Å; L794-V811 HydrophobicContact CD2-CG1 3.28Å; L794-V811 HydrophobicContact CD2-CG2 3.35Å; L794-V811 HydrophobicContact CG-CG2 3.71Å; V811-V820 HydrophobicContact CB-CG1 3.74Å; V811-V820 HydrophobicContact CG1-CG1 3.62Å; V811-V820 HydrophobicContact CG1-CG2 4.16Å; V811-V820 HydrophobicContact CG2-CG1 3.48Å; V811-V820 VanDerWaalsContact CG2-CG1 3.48Å; V811-I824 HydrophobicContact CG2-CD1 4.04Å |
| 812 | Q | 85.7 | Confident | 88.5 | Confident | 25 Ų | 25 | 30.2 Ų | 30.2 | 12% | 0.117 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 129.4 | 152.3 | -173.3 | 154.7 | -66.4 | 0 | 0 | 108.9 | N158 N753 S754 | N158-Q812 PolarHBondContact OD1-NE2 3.34Å; N753-Q812 HydrophobicContact CB-CG 3.81Å; S754-Q812 CarbonylContact O-C 3.13Å; S754-Q812 VanDerWaalsContact O-CA 3.27Å; S754-Q812 WeakPolarHBondContact O-CA 3.45Å |
| 813 | S | 83.3 | Confident | 88.7 | Confident | 4 Ų | 4 | 30.6 Ų | 30.6 | 3% | 0.028 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 155.2 | -169 | 176.5 | 0 | 0 | 0 | 0 | 112.9 | S754 R815 Q932 | S754-S813 PolarHBondContact N-O 3.45Å; S754-S813 PolarHBondContact O-N 3.35Å; S813-R815 PolarHBondContact O-N 3.2Å; S813-R815 PolarHBondContact OG-N 3.2Å; S813-Q932 PolarHBondContact O-NE2 2.78Å |
| 814 | D | 79.3 | Confident | 88.8 | Confident | 87 Ų | 87 | 30 Ų | 30 | 47% | 0.465 | 14% | 0.142 | S | C | . | . | S | Bend | trans | -71.2 | -9 | 168.3 | 80.7 | -44.7 | 0 | 0 | 0 | 113 | Q932 | D814-Q932 PolarHBondContact O-NE2 3.22Š|
| 815 | R | 83.5 | Confident | 88.8 | Confident | 139 Ų | 139 | 30.2 Ų | 30.2 | 53% | 0.525 | 14% | 0.143 | S | C | . | . | S | Bend | trans | -94.4 | 161.3 | 177.4 | -52 | -51.3 | 170.7 | 150.1 | 3.5 | 113.1 | S813 Y819 V820 Q932 | S813-R815 PolarHBondContact O-N 3.2Å; S813-R815 PolarHBondContact OG-N 3.2Å; R815-Y819 HydrophobicContact CB-CD1 3.68Å; R815-Y819 HydrophobicContact CB-CE1 4.23Å; R815-Y819 HydrophobicContact CG-CD1 4.03Å; R815-Y819 HydrophobicContact CG-CE1 4.06Å; R815-V820 HydrophobicContact CB-CG2 4.09Å; R815-Q932 VanDerWaalsContact C-OE1 3.3Å; R815-Q932 PolarHBondContact O-NE2 2.78Å; R815-Q932 PolarHBondContact O-OE1 3.37Å |
| 816 | S | 87.1 | Confident | 88.6 | Confident | 29 Ų | 29 | 32.9 Ų | 32.9 | 20% | 0.203 | 16% | 0.157 | C | C | . | . | trans | -65.7 | 139.9 | 179.4 | 89.7 | 0 | 0 | 0 | 0 | 111.7 | A818 Y819 V820 Q932 | S816-A818 PolarHBondContact O-N 3.21Å; S816-A818 VanDerWaalsContact O-N 3.07Å; S816-Y819 WeakPolarHBondContact O-CB 3.45Å; S816-Y819 PolarHBondContact O-N 3.43Å; S816-Y819 PolarHBondContact OG-N 3.45Å; S816-Y819 VanDerWaalsContact OG-N 3.16Å; S816-V820 WeakPolarHBondContact O-CG2 3.49Å; S816-V820 PolarHBondContact O-N 3.28Å; S816-Q932 VanDerWaalsContact CA-OE1 3.28Å | ||
| 817 | P | 90.6 | Very high | 88.3 | Confident | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.006 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -50.8 | -31.7 | 173.6 | -33.4 | 37.5 | 0 | 0 | 0 | 114.7 | I756 E821 R926 F928 | I756-P817 HydrophobicContact CB-CB 4.22Å; P817-E821 WeakPolarHBondContact O-CB 3.45Å; P817-E821 PolarHBondContact O-N 2.98Å; P817-R926 HydrophobicContact CB-CB 3.61Å; P817-R926 HydrophobicContact CB-CG 3.71Å; P817-R926 HydrophobicContact CG-CB 4.22Å; P817-F928 HydrophobicContact CB-CE1 4.43Å; P817-F928 HydrophobicContact CB-CZ 4.23Å; P817-F928 HydrophobicContact CG-CD1 4.02Å; P817-F928 HydrophobicContact CG-CD2 4.35Å; P817-F928 HydrophobicContact CG-CE1 4.01Å; P817-F928 HydrophobicContact CG-CE2 4.32Å; P817-F928 HydrophobicContact CG-CG 4.2Å; P817-F928 HydrophobicContact CG-CZ 4.16Å |
| 818 | A | 87.5 | Confident | 88.2 | Confident | 40 Ų | 40 | 33.5 Ų | 33.5 | 33% | 0.331 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -74.4 | -40 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | S816 E821 N822 | S816-A818 PolarHBondContact O-N 3.21Å; S816-A818 VanDerWaalsContact O-N 3.07Å; A818-E821 PolarHBondContact O-N 2.94Å; A818-N822 PolarHBondContact O-N 3.42Å |
| 819 | Y | 86.9 | Confident | 88.2 | Confident | 91 Ų | 91 | 35.8 Ų | 35.8 | 36% | 0.357 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -61.6 | -47.9 | 171.8 | 170.2 | -91.3 | 0 | 0 | 0 | 110.6 | R815 S816 E821 N822 R823 | R815-Y819 HydrophobicContact CB-CD1 3.68Å; R815-Y819 HydrophobicContact CB-CE1 4.23Å; R815-Y819 HydrophobicContact CG-CD1 4.03Å; R815-Y819 HydrophobicContact CG-CE1 4.06Å; S816-Y819 WeakPolarHBondContact O-CB 3.45Å; S816-Y819 PolarHBondContact O-N 3.43Å; S816-Y819 PolarHBondContact OG-N 3.45Å; S816-Y819 VanDerWaalsContact OG-N 3.16Å; Y819-E821 VanDerWaalsContact C-N 3.33Å; Y819-E821 PolarHBondContact O-N 3.47Å; Y819-N822 VanDerWaalsContact O-CB 3.32Å; Y819-N822 WeakPolarHBondContact O-CB 3.4Å; Y819-N822 PolarHBondContact O-N 2.88Å; Y819-N822 VanDerWaalsContact O-N 3.16Å; Y819-R823 HydrophobicContact CD1-CG 4.24Å; Y819-R823 HydrophobicContact CE1-CG 3.74Å; Y819-R823 PolarHBondContact O-N 3.4Å; Y819-R823 VanDerWaalsContact O-N 3.11Å |
| 820 | V | 87.5 | Confident | 88.3 | Confident | 5 Ų | 5 | 39.4 Ų | 39.4 | 3% | 0.03 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60.1 | -43.1 | 178 | 172.5 | 0 | 0 | 0 | 0 | 111.3 | I756 L794 V811 R815 S816 N822 R823 I824 | I756-V820 HydrophobicContact CG2-CB 3.97Å; I756-V820 HydrophobicContact CG2-CG1 3.37Å; L794-V820 HydrophobicContact CD1-CG1 4.18Å; L794-V820 HydrophobicContact CD2-CG1 4.2Å; V811-V820 HydrophobicContact CB-CG1 3.74Å; V811-V820 HydrophobicContact CG1-CG1 3.62Å; V811-V820 HydrophobicContact CG1-CG2 4.16Å; V811-V820 HydrophobicContact CG2-CG1 3.48Å; V811-V820 VanDerWaalsContact CG2-CG1 3.48Å; R815-V820 HydrophobicContact CB-CG2 4.09Å; S816-V820 WeakPolarHBondContact O-CG2 3.49Å; S816-V820 PolarHBondContact O-N 3.28Å; V820-N822 VanDerWaalsContact C-N 3.26Å; V820-N822 PolarHBondContact O-N 3.36Å; V820-R823 WeakPolarHBondContact O-CA 3.47Å; V820-R823 WeakPolarHBondContact O-CB 3.34Å; V820-R823 PolarHBondContact O-N 2.8Å; V820-I824 HydrophobicContact CG1-CD1 4.01Å; V820-I824 HydrophobicContact CG1-CG1 4.39Å; V820-I824 WeakPolarHBondContact O-CG1 3.39Å; V820-I824 PolarHBondContact O-N 2.94Å |
| 821 | E | 91.2 | Very high | 88.4 | Confident | 6 Ų | 6 | 37.9 Ų | 37.9 | 3% | 0.028 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -58.1 | -40 | 177 | -161.5 | 171.8 | 151 | 0 | 0 | 112.3 | I756 L758 P817 A818 Y819 I824 E825 K922 S924 R926 | I756-E821 HydrophobicContact CD1-CB 3.57Å; I756-E821 HydrophobicContact CD1-CG 3.66Å; I756-E821 VanDerWaalsContact CD1-OE2 3.31Å; I756-E821 WeakPolarHBondContact CD1-OE2 3.34Å; L758-E821 HydrophobicContact CD1-CG 3.95Å; P817-E821 WeakPolarHBondContact O-CB 3.45Å; P817-E821 PolarHBondContact O-N 2.98Å; A818-E821 PolarHBondContact O-N 2.94Å; Y819-E821 VanDerWaalsContact C-N 3.33Å; Y819-E821 PolarHBondContact O-N 3.47Å; E821-I824 PolarHBondContact O-N 3.39Å; E821-E825 WeakPolarHBondContact O-CG 3.41Å; E821-E825 PolarHBondContact O-N 2.79Å; E821-K922 WeakPolarHBondContact OE1-CE 3.42Å; E821-K922 IonicContact OE1-NZ 3Å; E821-K922 PolarHBondContact OE1-NZ 3.15Å; E821-S924 WeakPolarHBondContact OE1-CB 3.02Å; E821-S924 PolarHBondContact OE1-OG 2.8Å; E821-S924 WeakPolarHBondContact OE2-CB 3.37Å; E821-S924 PolarHBondContact OE2-OG 3.16Å; E821-R926 IonicContact OE1-NH2 2.72Å; E821-R926 IonicContact OE2-CZ 3.25Å; E821-R926 IonicContact OE2-NE 2.83Å; E821-R926 PolarHBondContact OE2-NE 3.35Å; E821-R926 IonicContact OE2-NH2 2.82Å; E821-R926 PolarHBondContact OE2-NH2 3.22Å |
| 822 | N | 89.8 | Confident | 88.8 | Confident | 41 Ų | 41 | 39 Ų | 39 | 22% | 0.219 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.7 | -43.1 | 173.6 | -174.6 | 4.1 | 0 | 0 | 0 | 111.5 | A818 Y819 V820 I824 E825 L826 T944 | A818-N822 PolarHBondContact O-N 3.42Å; Y819-N822 VanDerWaalsContact O-CB 3.32Å; Y819-N822 WeakPolarHBondContact O-CB 3.4Å; Y819-N822 PolarHBondContact O-N 2.88Å; Y819-N822 VanDerWaalsContact O-N 3.16Å; V820-N822 VanDerWaalsContact C-N 3.26Å; V820-N822 PolarHBondContact O-N 3.36Å; N822-I824 VanDerWaalsContact C-N 3.35Å; N822-I824 PolarHBondContact O-N 3.21Å; N822-E825 PolarHBondContact O-N 2.81Å; N822-L826 WeakPolarHBondContact O-CG 3.49Å; N822-L826 PolarHBondContact O-N 3.17Å; N822-L826 WeakPolarHBondContact OD1-CD1 3.31Å; N822-T944 PolarHBondContact ND2-OG1 3.05Å; N822-T944 WeakPolarHBondContact OD1-CB 3.27Å; N822-T944 PolarHBondContact OD1-OG1 3.44Å |
| 823 | R | 87.8 | Confident | 89.2 | Confident | 65 Ų | 65 | 39.4 Ų | 39.4 | 25% | 0.245 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62 | -40.3 | 175.6 | -59.5 | -52.3 | -60.7 | 156.7 | 0.8 | 112.4 | E792 Y819 V820 F827 | E792-R823 IonicContact OE1-CZ 2.89Å; E792-R823 IonicContact OE1-NE 2.9Å; E792-R823 PolarHBondContact OE1-NE 3.07Å; E792-R823 IonicContact OE1-NH2 3.73Å; E792-R823 PolarHBondContact OE1-NH2 2.56Å; E792-R823 WeakPolarHBondContact OE2-CB 3.17Å; E792-R823 VanDerWaalsContact OE2-CG 3.29Å; E792-R823 WeakPolarHBondContact OE2-CG 3.24Å; E792-R823 IonicContact OE2-CZ 3.26Å; E792-R823 IonicContact OE2-NE 3.22Å; E792-R823 PolarHBondContact OE2-NE 3.33Å; E792-R823 IonicContact OE2-NH2 2.92Å; Y819-R823 HydrophobicContact CD1-CG 4.24Å; Y819-R823 HydrophobicContact CE1-CG 3.74Å; Y819-R823 PolarHBondContact O-N 3.4Å; Y819-R823 VanDerWaalsContact O-N 3.11Å; V820-R823 WeakPolarHBondContact O-CA 3.47Å; V820-R823 WeakPolarHBondContact O-CB 3.34Å; V820-R823 PolarHBondContact O-N 2.8Å; R823-F827 VanDerWaalsContact O-CB 3.29Å; R823-F827 WeakPolarHBondContact O-CB 3.3Å; R823-F827 PolarHBondContact O-N 3.11Å |
| 824 | I | 89.9 | Confident | 89.7 | Confident | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.4 | -44.8 | 174.5 | -62.7 | 167.6 | 0 | 0 | 0 | 111 | I756 L758 L794 V809 V811 V820 E821 N822 F827 L828 | I756-I824 HydrophobicContact CG2-CD1 4.19Å; L758-I824 HydrophobicContact CB-CD1 4.45Å; L758-I824 HydrophobicContact CD1-CG2 4.09Å; L758-I824 HydrophobicContact CD2-CG2 4.35Å; L794-I824 HydrophobicContact CD1-CG1 4.01Å; V809-I824 HydrophobicContact CB-CD1 4.23Å; V809-I824 HydrophobicContact CB-CG2 4.13Å; V809-I824 HydrophobicContact CG1-CD1 3.74Å; V809-I824 HydrophobicContact CG1-CG1 3.93Å; V809-I824 HydrophobicContact CG1-CG2 4.08Å; V809-I824 HydrophobicContact CG2-CG2 4.05Å; V811-I824 HydrophobicContact CG2-CD1 4.04Å; V820-I824 HydrophobicContact CG1-CD1 4.01Å; V820-I824 HydrophobicContact CG1-CG1 4.39Å; V820-I824 WeakPolarHBondContact O-CG1 3.39Å; V820-I824 PolarHBondContact O-N 2.94Å; E821-I824 PolarHBondContact O-N 3.39Å; N822-I824 VanDerWaalsContact C-N 3.35Å; N822-I824 PolarHBondContact O-N 3.21Å; I824-F827 PolarHBondContact O-N 3.38Å; I824-L828 HydrophobicContact CG2-CD1 4.2Å; I824-L828 WeakPolarHBondContact O-CG 3.37Å; I824-L828 PolarHBondContact O-N 3.42Å |
| 825 | E | 91.7 | Very high | 90.4 | Very high | 4 Ų | 4 | 38.6 Ų | 38.6 | 2% | 0.019 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.9 | -46.4 | 179.1 | -70.8 | -72.9 | -167.7 | 0 | 0 | 112.3 | E821 N822 F827 L828 E829 M915 R920 K922 | E821-E825 WeakPolarHBondContact O-CG 3.41Å; E821-E825 PolarHBondContact O-N 2.79Å; N822-E825 PolarHBondContact O-N 2.81Å; E825-F827 VanDerWaalsContact C-N 3.32Å; E825-F827 PolarHBondContact O-N 3.18Å; E825-L828 PolarHBondContact O-N 2.78Å; E825-E829 PolarHBondContact O-N 3.37Å; E825-M915 HydrophobicContact CB-CE 4.26Å; E825-R920 IonicContact OE1-CZ 3.05Å; E825-R920 IonicContact OE1-NH1 2.71Å; E825-R920 PolarHBondContact OE1-NH1 3.06Å; E825-R920 IonicContact OE1-NH2 3.73Å; E825-R920 PolarHBondContact OE1-NH2 3.28Å; E825-R920 IonicContact OE2-CZ 3.39Å; E825-R920 IonicContact OE2-NH1 2.68Å; E825-R920 PolarHBondContact OE2-NH1 2.81Å; E825-R920 IonicContact OE2-NH2 3.43Å; E825-R920 PolarHBondContact OE2-NH2 3.21Å; E825-K922 WeakPolarHBondContact OE1-CE 3.38Å; E825-K922 IonicContact OE1-NZ 2.87Å; E825-K922 PolarHBondContact OE1-NZ 2.89Å |
| 826 | L | 90.3 | Very high | 91 | Very high | 58 Ų | 58 | 36.1 Ų | 36.1 | 30% | 0.304 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -62.4 | -38.5 | 175.8 | -69.8 | 169.5 | 0 | 0 | 0 | 112 | N822 E829 Q830 T944 | N822-L826 WeakPolarHBondContact O-CG 3.49Å; N822-L826 PolarHBondContact O-N 3.17Å; N822-L826 WeakPolarHBondContact OD1-CD1 3.31Å; L826-E829 PolarHBondContact O-N 3.49Å; L826-Q830 WeakPolarHBondContact O-CB 3.44Å; L826-Q830 PolarHBondContact O-N 3.34Å; L826-T944 HydrophobicContact CD2-CG2 4.24Å |
| 827 | F | 90 | Very high | 91.4 | Very high | 6 Ų | 6 | 42.7 Ų | 42.7 | 3% | 0.026 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.5 | -44.7 | 173.6 | 169.4 | -101.4 | 0 | 0 | 0 | 112 | I780 P783 C784 Q787 L788 R823 I824 E825 E829 Q830 M831 | I780-F827 HydrophobicContact CB-CE1 4.29Å; I780-F827 HydrophobicContact CB-CZ 4.16Å; P783-F827 HydrophobicContact CB-CE2 4.12Å; P783-F827 HydrophobicContact CB-CZ 4.36Å; C784-F827 HydrophobicContact CB-CE1 3.78Å; C784-F827 HydrophobicContact CB-CE2 4.28Å; C784-F827 HydrophobicContact CB-CZ 3.48Å; C784-F827 VanDerWaalsContact CB-CZ 3.48Å; Q787-F827 HydrophobicContact CB-CD2 4.28Å; Q787-F827 HydrophobicContact CB-CE2 4.42Å; Q787-F827 HydrophobicContact CG-CD2 4.33Å; L788-F827 HydrophobicContact CD1-CB 3.7Å; L788-F827 HydrophobicContact CD1-CD1 3.48Å; L788-F827 VanDerWaalsContact CD1-CD1 3.48Å; L788-F827 HydrophobicContact CD1-CD2 3.86Å; L788-F827 HydrophobicContact CD1-CE1 4.07Å; L788-F827 HydrophobicContact CD1-CE2 4.4Å; L788-F827 HydrophobicContact CD1-CG 3.37Å; L788-F827 HydrophobicContact CD2-CB 4.14Å; L788-F827 HydrophobicContact CD2-CG 4.43Å; L788-F827 HydrophobicContact CG-CB 4.21Å; L788-F827 HydrophobicContact CG-CD1 4.5Å; L788-F827 HydrophobicContact CG-CD2 4.01Å; L788-F827 HydrophobicContact CG-CG 3.97Å; R823-F827 VanDerWaalsContact O-CB 3.29Å; R823-F827 WeakPolarHBondContact O-CB 3.3Å; R823-F827 PolarHBondContact O-N 3.11Å; I824-F827 PolarHBondContact O-N 3.38Å; E825-F827 VanDerWaalsContact C-N 3.32Å; E825-F827 PolarHBondContact O-N 3.18Å; F827-E829 VanDerWaalsContact C-N 3.29Å; F827-E829 PolarHBondContact O-N 2.72Å; F827-Q830 PolarHBondContact O-N 3.2Å; F827-M831 HydrophobicContact CD1-CG 4.24Å; F827-M831 HydrophobicContact CD2-CG 4.1Å; F827-M831 HydrophobicContact CD2-SD 4.38Å; F827-M831 HydrophobicContact CE1-CG 3.71Å; F827-M831 HydrophobicContact CE2-CG 3.54Å; F827-M831 HydrophobicContact CE2-SD 3.53Å; F827-M831 VanDerWaalsContact CE2-SD 3.53Å; F827-M831 HydrophobicContact CG-CG 4.41Å; F827-M831 HydrophobicContact CZ-CG 3.3Å; F827-M831 HydrophobicContact CZ-SD 3.66Å; F827-M831 WeakPolarHBondContact O-CG 3.36Å; F827-M831 PolarHBondContact O-N 3.23Å |
| 828 | L | 92.2 | Very high | 91.6 | Very high | 7 Ų | 7 | 43.3 Ų | 43.3 | 4% | 0.037 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.8 | -33.6 | 177.6 | -70 | 174.2 | 0 | 0 | 0 | 112.5 | L760 F776 L807 I824 E825 L832 I913 | L760-L828 HydrophobicContact CD1-CD1 4.08Å; F776-L828 HydrophobicContact CE1-CD2 4.31Å; F776-L828 HydrophobicContact CZ-CD2 4.41Å; L807-L828 HydrophobicContact CD2-CD2 3.96Å; I824-L828 HydrophobicContact CG2-CD1 4.2Å; I824-L828 WeakPolarHBondContact O-CG 3.37Å; I824-L828 PolarHBondContact O-N 3.42Å; E825-L828 PolarHBondContact O-N 2.78Å; L828-L832 PolarHBondContact O-N 3.5Å; L828-L832 VanDerWaalsContact O-N 3.14Å; L828-I913 HydrophobicContact CD2-CG2 4.45Å |
| 829 | E | 92.3 | Very high | 91.9 | Very high | 101 Ų | 101 | 45.1 Ų | 45.1 | 47% | 0.472 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -69.3 | -42.6 | 172.7 | -174.5 | 170.7 | -154.5 | 0 | 0 | 112.1 | E825 L826 F827 L832 A833 | E825-E829 PolarHBondContact O-N 3.37Å; L826-E829 PolarHBondContact O-N 3.49Å; F827-E829 VanDerWaalsContact C-N 3.29Å; F827-E829 PolarHBondContact O-N 2.72Å; E829-L832 WeakPolarHBondContact O-CB 3.35Å; E829-L832 PolarHBondContact O-N 3.26Å; E829-A833 PolarHBondContact O-N 3.27Å |
| 830 | Q | 92.2 | Very high | 92.3 | Very high | 79 Ų | 79 | 45.8 Ų | 45.8 | 37% | 0.369 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -58.7 | -49 | 172 | 177.1 | 178.5 | -17.2 | 0 | 0 | 111.3 | L826 F827 L832 A833 E834 | L826-Q830 WeakPolarHBondContact O-CB 3.44Å; L826-Q830 PolarHBondContact O-N 3.34Å; F827-Q830 PolarHBondContact O-N 3.2Å; Q830-L832 VanDerWaalsContact C-N 3.25Å; Q830-L832 PolarHBondContact O-N 2.74Å; Q830-A833 CarbonylContact O-C 3.55Å; Q830-A833 PolarHBondContact O-N 3.13Å; Q830-E834 HydrophobicContact CG-CG 4.39Å; Q830-E834 VanDerWaalsContact CG-OE1 3.28Å; Q830-E834 WeakPolarHBondContact CG-OE1 3.21Å; Q830-E834 PolarHBondContact NE2-OE1 2.94Å; Q830-E834 WeakPolarHBondContact O-CG 3.31Å; Q830-E834 PolarHBondContact O-N 3.23Å |
| 831 | M | 92.2 | Very high | 92.6 | Very high | 3 Ų | 3 | 51.6 Ų | 51.6 | 2% | 0.015 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.8 | -31.2 | 178.9 | -70.5 | -45.9 | -49.7 | 0 | 0 | 113.1 | I779 I780 P783 F827 E834 L835 | I779-M831 HydrophobicContact CG2-CE 4.33Å; I780-M831 HydrophobicContact CB-CG 4.3Å; I780-M831 HydrophobicContact CG2-CB 3.97Å; I780-M831 HydrophobicContact CG2-CE 4.12Å; I780-M831 HydrophobicContact CG2-CG 3.76Å; P783-M831 HydrophobicContact CB-CE 3.89Å; P783-M831 HydrophobicContact CB-SD 3.47Å; P783-M831 WeakPolarHBondContact CB-SD 3.29Å; P783-M831 HydrophobicContact CG-CE 3.87Å; P783-M831 HydrophobicContact CG-SD 4.15Å; F827-M831 HydrophobicContact CD1-CG 4.24Å; F827-M831 HydrophobicContact CD2-CG 4.1Å; F827-M831 HydrophobicContact CD2-SD 4.38Å; F827-M831 HydrophobicContact CE1-CG 3.71Å; F827-M831 HydrophobicContact CE2-CG 3.54Å; F827-M831 HydrophobicContact CE2-SD 3.53Å; F827-M831 VanDerWaalsContact CE2-SD 3.53Å; F827-M831 HydrophobicContact CG-CG 4.41Å; F827-M831 HydrophobicContact CZ-CG 3.3Å; F827-M831 HydrophobicContact CZ-SD 3.66Å; F827-M831 WeakPolarHBondContact O-CG 3.36Å; F827-M831 PolarHBondContact O-N 3.23Å; M831-E834 HydrophobicContact CE-CB 4.43Å; M831-E834 WeakPolarHBondContact CE-OE2 3.25Å; M831-E834 VanDerWaalsContact SD-OE2 3.37Å; M831-L835 VanDerWaalsContact O-CB 3.25Å; M831-L835 WeakPolarHBondContact O-CB 3.39Å; M831-L835 PolarHBondContact O-N 3.46Å |
| 832 | L | 94.1 | Very high | 92.7 | Very high | 26 Ų | 26 | 54.8 Ų | 54.8 | 14% | 0.136 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65.1 | -46.5 | 172 | 176.1 | 61 | 0 | 0 | 0 | 111 | L828 E829 Q830 E834 L835 E836 L906 V909 K910 A914 | L828-L832 PolarHBondContact O-N 3.5Å; L828-L832 VanDerWaalsContact O-N 3.14Å; E829-L832 WeakPolarHBondContact O-CB 3.35Å; E829-L832 PolarHBondContact O-N 3.26Å; Q830-L832 VanDerWaalsContact C-N 3.25Å; Q830-L832 PolarHBondContact O-N 2.74Å; L832-E834 VanDerWaalsContact C-N 3.32Å; L832-E834 PolarHBondContact O-N 3.26Å; L832-L835 PolarHBondContact O-N 3.2Å; L832-E836 WeakPolarHBondContact O-CG 3.4Å; L832-E836 PolarHBondContact O-N 2.8Å; L832-L906 HydrophobicContact CD1-CD2 3.82Å; L832-V909 HydrophobicContact CD1-CB 4.45Å; L832-V909 HydrophobicContact CD1-CG1 3.9Å; L832-K910 HydrophobicContact CD1-CG 4.19Å; L832-K910 HydrophobicContact CD2-CG 4.44Å; L832-A914 HydrophobicContact CD2-CB 3.92Å |
| 833 | A | 94.1 | Very high | 93 | Very high | 35 Ų | 35 | 53 Ų | 53 | 29% | 0.289 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -68.3 | -29.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | E829 Q830 K837 | E829-A833 PolarHBondContact O-N 3.27Å; Q830-A833 CarbonylContact O-C 3.55Å; Q830-A833 PolarHBondContact O-N 3.13Å; A833-K837 VanDerWaalsContact O-CD 3.32Å; A833-K837 WeakPolarHBondContact O-CD 3.46Å; A833-K837 VanDerWaalsContact O-CG 3.3Å; A833-K837 WeakPolarHBondContact O-CG 3.38Å; A833-K837 PolarHBondContact O-N 3.04Å |
| 834 | E | 93.1 | Very high | 93.3 | Very high | 74 Ų | 74 | 54.2 Ų | 54.2 | 35% | 0.346 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -71.8 | -46.8 | 171.8 | -73.2 | 176.1 | -170.8 | 0 | 0 | 111.2 | Q830 M831 L832 E836 K837 M838 | Q830-E834 HydrophobicContact CG-CG 4.39Å; Q830-E834 VanDerWaalsContact CG-OE1 3.28Å; Q830-E834 WeakPolarHBondContact CG-OE1 3.21Å; Q830-E834 PolarHBondContact NE2-OE1 2.94Å; Q830-E834 WeakPolarHBondContact O-CG 3.31Å; Q830-E834 PolarHBondContact O-N 3.23Å; M831-E834 HydrophobicContact CE-CB 4.43Å; M831-E834 WeakPolarHBondContact CE-OE2 3.25Å; M831-E834 VanDerWaalsContact SD-OE2 3.37Å; L832-E834 VanDerWaalsContact C-N 3.32Å; L832-E834 PolarHBondContact O-N 3.26Å; E834-E836 VanDerWaalsContact C-N 3.28Å; E834-E836 PolarHBondContact O-N 3.23Å; E834-K837 CarbonylContact O-C 3.58Å; E834-K837 PolarHBondContact O-N 3.16Å; E834-M838 WeakPolarHBondContact O-CB 3.3Å; E834-M838 PolarHBondContact O-N 3.46Å |
| 835 | L | 94.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.4 | -34.9 | 176.3 | -178.8 | 60.5 | 0 | 0 | 0 | 112.6 | F776 I779 M831 L832 K837 M838 F843 K902 L905 L906 V909 | F776-L835 HydrophobicContact CD2-CD2 4.47Å; I779-L835 HydrophobicContact CD1-CD1 4.01Å; M831-L835 VanDerWaalsContact O-CB 3.25Å; M831-L835 WeakPolarHBondContact O-CB 3.39Å; M831-L835 PolarHBondContact O-N 3.46Å; L832-L835 PolarHBondContact O-N 3.2Å; L835-K837 VanDerWaalsContact C-N 3.34Å; L835-M838 HydrophobicContact CD1-SD 4.08Å; L835-F843 HydrophobicContact CD1-CD2 4.36Å; L835-K902 HydrophobicContact CD1-CG 4.2Å; L835-K902 WeakPolarHBondContact O-CD 3.35Å; L835-L905 HydrophobicContact CD1-CD2 4.26Å; L835-L905 HydrophobicContact CD2-CD2 3.94Å; L835-L905 HydrophobicContact CD2-CG 4.11Å; L835-L906 HydrophobicContact CB-CD2 4.1Å; L835-L906 HydrophobicContact CD2-CD2 3.82Å; L835-L906 HydrophobicContact CD2-CG 4.18Å; L835-L906 HydrophobicContact CG-CD2 3.7Å; L835-L906 HydrophobicContact CG-CG 4.06Å; L835-V909 HydrophobicContact CD2-CG2 4.32Å |
| 836 | E | 94.8 | Very high | 93.6 | Very high | 87 Ų | 87 | 58.2 Ų | 58.2 | 41% | 0.407 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -61 | -43.6 | 172.2 | -75.3 | -175.8 | 165.2 | 0 | 0 | 111.8 | L832 E834 K902 L906 K910 | L832-E836 WeakPolarHBondContact O-CG 3.4Å; L832-E836 PolarHBondContact O-N 2.8Å; E834-E836 VanDerWaalsContact C-N 3.28Å; E834-E836 PolarHBondContact O-N 3.23Å; E836-K902 PolarHBondContact O-NZ 3.13Å; E836-L906 HydrophobicContact CB-CD2 4.46Å; E836-L906 HydrophobicContact CG-CD1 4.14Å; E836-L906 HydrophobicContact CG-CD2 3.52Å; E836-L906 HydrophobicContact CG-CG 4.49Å; E836-K910 WeakPolarHBondContact OE1-CE 3.43Å; E836-K910 IonicContact OE1-NZ 2.77Å; E836-K910 PolarHBondContact OE1-NZ 2.92Å |
| 837 | K | 95.7 | Very high | 93.8 | Very high | 166 Ų | 166 | 56.1 Ų | 56.1 | 72% | 0.722 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -83.5 | -19.2 | -177.1 | -64.8 | 167 | -167 | 164.5 | 0 | 114.1 | A833 E834 L835 | A833-K837 VanDerWaalsContact O-CD 3.32Å; A833-K837 WeakPolarHBondContact O-CD 3.46Å; A833-K837 VanDerWaalsContact O-CG 3.3Å; A833-K837 WeakPolarHBondContact O-CG 3.38Å; A833-K837 PolarHBondContact O-N 3.04Å; E834-K837 CarbonylContact O-C 3.58Å; E834-K837 PolarHBondContact O-N 3.16Å; L835-K837 VanDerWaalsContact C-N 3.34Å |
| 838 | M | 94.7 | Very high | 93.9 | Very high | 15 Ų | 15 | 58.5 Ų | 58.5 | 7% | 0.074 | 30% | 0.301 | C | S | . | . | trans | -51 | 125 | -176.2 | 179.4 | 178.9 | -82 | 0 | 0 | 111.4 | I779 E834 L835 E842 F843 K902 | I779-M838 HydrophobicContact CG2-CE 3.83Å; E834-M838 WeakPolarHBondContact O-CB 3.3Å; E834-M838 PolarHBondContact O-N 3.46Å; L835-M838 HydrophobicContact CD1-SD 4.08Å; M838-E842 HydrophobicContact CE-CG 4.35Å; M838-E842 HydrophobicContact CG-CB 4.04Å; M838-E842 HydrophobicContact CG-CG 4.13Å; M838-E842 HydrophobicContact SD-CG 4.43Å; M838-F843 HydrophobicContact CG-CB 4.33Å; M838-F843 HydrophobicContact SD-CB 3.85Å; M838-F843 HydrophobicContact SD-CD2 4.26Å; M838-K902 HydrophobicContact CB-CD 4.45Å; M838-K902 PolarHBondContact O-NZ 3.4Å | ||
| 839 | P | 95.2 | Very high | 93.8 | Very high | 77 Ų | 77 | 58.2 Ų | 58.2 | 50% | 0.5 | 30% | 0.3 | S | S | . | . | trans | -56.9 | 145.1 | 171.1 | -24.2 | 34.5 | 0 | 0 | 0 | 111.9 | D841 E842 F843 | P839-D841 PolarHBondContact O-N 3.07Å; P839-E842 HydrophobicContact CB-CB 4.5Å; P839-E842 WeakPolarHBondContact CD-OE2 3.45Å; P839-E842 PolarHBondContact O-N 3.19Å; P839-F843 PolarHBondContact O-N 2.87Å; P839-F843 VanDerWaalsContact O-N 3.11Å | ||
| 840 | N | 94.6 | Very high | 93.7 | Very high | 105 Ų | 105 | 53.9 Ų | 53.9 | 56% | 0.561 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -62.1 | -31.8 | -179.2 | -72.3 | -9 | 0 | 0 | 0 | 112.6 | E842 F843 E844 | N840-E842 VanDerWaalsContact C-N 3.35Å; N840-E842 PolarHBondContact O-N 3.19Å; N840-F843 PolarHBondContact O-N 2.9Å; N840-E844 WeakPolarHBondContact O-CG 3.3Å; N840-E844 PolarHBondContact O-N 3.26Å |
| 841 | D | 94.1 | Very high | 93.6 | Very high | 127 Ų | 127 | 52.3 Ų | 52.3 | 68% | 0.679 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -65.4 | -37.9 | 178.4 | -60.9 | -18.7 | 0 | 0 | 0 | 112 | P839 Q845 | P839-D841 PolarHBondContact O-N 3.07Å; D841-Q845 VanDerWaalsContact O-CG 3.31Å; D841-Q845 WeakPolarHBondContact O-CG 3.27Å; D841-Q845 PolarHBondContact O-N 2.89Å |
| 842 | E | 92.8 | Very high | 93.2 | Very high | 74 Ų | 74 | 53.6 Ų | 53.6 | 35% | 0.346 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -69.4 | -42.5 | 175.1 | -173.5 | -177.2 | 153.3 | 0 | 0 | 110.9 | M838 P839 N840 E844 Q845 H846 | M838-E842 HydrophobicContact CE-CG 4.35Å; M838-E842 HydrophobicContact CG-CB 4.04Å; M838-E842 HydrophobicContact CG-CG 4.13Å; M838-E842 HydrophobicContact SD-CG 4.43Å; P839-E842 HydrophobicContact CB-CB 4.5Å; P839-E842 WeakPolarHBondContact CD-OE2 3.45Å; P839-E842 PolarHBondContact O-N 3.19Å; N840-E842 VanDerWaalsContact C-N 3.35Å; N840-E842 PolarHBondContact O-N 3.19Å; E842-E844 VanDerWaalsContact C-N 3.34Å; E842-E844 PolarHBondContact O-N 2.93Å; E842-Q845 WeakPolarHBondContact O-CB 3.33Å; E842-Q845 PolarHBondContact O-N 3.17Å; E842-Q845 VanDerWaalsContact O-N 3.12Å; E842-H846 PolarHBondContact O-CD2 2.89Å; E842-H846 VanDerWaalsContact O-CD2 3.32Å; E842-H846 PolarHBondContact O-N 2.72Å |
| 843 | F | 95.4 | Very high | 92.7 | Very high | 3 Ų | 3 | 55 Ų | 55 | 1% | 0.013 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -58.8 | -43.6 | 173.9 | 177.2 | -100.6 | 0 | 0 | 0 | 112.4 | L775 I779 L835 M838 P839 N840 Q845 H846 K847 I900 K902 L905 | L775-F843 HydrophobicContact CD2-CE2 3.89Å; L775-F843 HydrophobicContact CD2-CZ 3.8Å; I779-F843 HydrophobicContact CD1-CD2 4.07Å; I779-F843 HydrophobicContact CD1-CE2 4.19Å; L835-F843 HydrophobicContact CD1-CD2 4.36Å; M838-F843 HydrophobicContact CG-CB 4.33Å; M838-F843 HydrophobicContact SD-CB 3.85Å; M838-F843 HydrophobicContact SD-CD2 4.26Å; P839-F843 PolarHBondContact O-N 2.87Å; P839-F843 VanDerWaalsContact O-N 3.11Å; N840-F843 PolarHBondContact O-N 2.9Å; F843-Q845 VanDerWaalsContact C-N 3.35Å; F843-H846 PolarHBondContact O-N 2.67Å; F843-K847 HydrophobicContact CD1-CD 3.89Å; F843-K847 HydrophobicContact CE1-CD 3.33Å; F843-K847 HydrophobicContact CE1-CG 4.27Å; F843-K847 HydrophobicContact CZ-CD 3.81Å; F843-K847 HydrophobicContact CZ-CG 4.41Å; F843-K847 PolarHBondContact O-N 2.71Å; F843-I900 HydrophobicContact CZ-CG2 4.46Å; F843-K902 HydrophobicContact CD1-CB 4.12Å; F843-K902 HydrophobicContact CD2-CB 4.12Å; F843-K902 HydrophobicContact CD2-CD 4.48Å; F843-K902 HydrophobicContact CD2-CG 3.95Å; F843-K902 HydrophobicContact CE1-CB 4.1Å; F843-K902 HydrophobicContact CE2-CB 4.11Å; F843-K902 HydrophobicContact CE2-CG 4.19Å; F843-K902 HydrophobicContact CG-CB 4.12Å; F843-K902 HydrophobicContact CG-CD 4.48Å; F843-K902 HydrophobicContact CG-CG 4.24Å; F843-K902 HydrophobicContact CZ-CB 4.11Å; F843-L905 HydrophobicContact CE2-CB 4.38Å; F843-L905 HydrophobicContact CE2-CD2 3.87Å |
| 844 | E | 95.3 | Very high | 92.2 | Very high | 91 Ų | 91 | 55 Ų | 55 | 43% | 0.425 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -70 | -28.3 | 175.7 | -68 | -59.6 | 147 | 0 | 0 | 112.6 | N840 E842 K847 A848 | N840-E844 WeakPolarHBondContact O-CG 3.3Å; N840-E844 PolarHBondContact O-N 3.26Å; E842-E844 VanDerWaalsContact C-N 3.34Å; E842-E844 PolarHBondContact O-N 2.93Å; E844-K847 VanDerWaalsContact CD-NZ 3.27Å; E844-K847 PolarHBondContact O-N 3.46Å; E844-K847 WeakPolarHBondContact OE1-CE 3.41Å; E844-K847 IonicContact OE1-NZ 3.5Å; E844-K847 PolarHBondContact OE1-NZ 3.2Å; E844-K847 WeakPolarHBondContact OE2-CD 3.48Å; E844-K847 WeakPolarHBondContact OE2-CE 3.45Å; E844-K847 IonicContact OE2-NZ 2.68Å; E844-K847 PolarHBondContact OE2-NZ 3.07Å; E844-A848 WeakPolarHBondContact O-CB 3.42Å; E844-A848 PolarHBondContact O-N 3.44Å |
| 845 | Q | 92.5 | Very high | 91.7 | Very high | 82 Ų | 82 | 53.7 Ų | 53.7 | 38% | 0.383 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -63.6 | -45.2 | 168.3 | -72.9 | 167.5 | 20.5 | 0 | 0 | 111.7 | D841 E842 F843 K847 A848 S849 | D841-Q845 VanDerWaalsContact O-CG 3.31Å; D841-Q845 WeakPolarHBondContact O-CG 3.27Å; D841-Q845 PolarHBondContact O-N 2.89Å; E842-Q845 WeakPolarHBondContact O-CB 3.33Å; E842-Q845 PolarHBondContact O-N 3.17Å; E842-Q845 VanDerWaalsContact O-N 3.12Å; F843-Q845 VanDerWaalsContact C-N 3.35Å; Q845-K847 VanDerWaalsContact C-N 3.31Å; Q845-K847 PolarHBondContact O-N 2.92Å; Q845-A848 PolarHBondContact O-N 3.09Å; Q845-S849 WeakPolarHBondContact O-CB 3.08Å; Q845-S849 PolarHBondContact O-N 3.38Å |
| 846 | H | 94.4 | Very high | 90.9 | Very high | 6 Ų | 6 | 55.2 Ų | 55.2 | 3% | 0.028 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.6 | -38.1 | 174 | -77.9 | -88.4 | 0 | 0 | 0 | 112.3 | L775 Q778 I779 E842 F843 S849 L850 | L775-H846 HydrophobicContact CD1-CB 4.27Å; Q778-H846 HydrophobicContact CG-CB 4.21Å; Q778-H846 WeakPolarHBondContact CG-O 3.21Å; Q778-H846 PolarHBondContact O-ND1 2.9Å; Q778-H846 VanDerWaalsContact O-ND1 3.1Å; I779-H846 HydrophobicContact CD1-CB 4.38Å; I779-H846 HydrophobicContact CG1-CB 3.69Å; E842-H846 PolarHBondContact O-CD2 2.89Å; E842-H846 VanDerWaalsContact O-CD2 3.32Å; E842-H846 PolarHBondContact O-N 2.72Å; F843-H846 PolarHBondContact O-N 2.67Å; H846-S849 WeakPolarHBondContact O-CB 3.47Å; H846-S849 PolarHBondContact O-N 3.37Å; H846-L850 PolarHBondContact O-N 2.98Å |
| 847 | K | 94.4 | Very high | 90.2 | Very high | 14 Ų | 14 | 54.4 Ų | 54.4 | 6% | 0.061 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.5 | -47 | 172.3 | -77.2 | 171.9 | 53.6 | -178.9 | 0 | 112.2 | L775 F843 E844 Q845 S849 L850 E851 L897 K898 I900 | L775-K847 HydrophobicContact CD1-CG 3.78Å; L775-K847 HydrophobicContact CD2-CD 4.26Å; L775-K847 HydrophobicContact CD2-CG 3.7Å; L775-K847 HydrophobicContact CG-CG 4.42Å; F843-K847 HydrophobicContact CD1-CD 3.89Å; F843-K847 HydrophobicContact CE1-CD 3.33Å; F843-K847 HydrophobicContact CE1-CG 4.27Å; F843-K847 HydrophobicContact CZ-CD 3.81Å; F843-K847 HydrophobicContact CZ-CG 4.41Å; F843-K847 PolarHBondContact O-N 2.71Å; E844-K847 VanDerWaalsContact CD-NZ 3.27Å; E844-K847 PolarHBondContact O-N 3.46Å; E844-K847 WeakPolarHBondContact OE1-CE 3.41Å; E844-K847 IonicContact OE1-NZ 3.5Å; E844-K847 PolarHBondContact OE1-NZ 3.2Å; E844-K847 WeakPolarHBondContact OE2-CD 3.48Å; E844-K847 WeakPolarHBondContact OE2-CE 3.45Å; E844-K847 IonicContact OE2-NZ 2.68Å; E844-K847 PolarHBondContact OE2-NZ 3.07Å; Q845-K847 VanDerWaalsContact C-N 3.31Å; Q845-K847 PolarHBondContact O-N 2.92Å; K847-S849 VanDerWaalsContact C-N 3.34Å; K847-S849 PolarHBondContact O-N 2.91Å; K847-L850 PolarHBondContact O-N 3.29Å; K847-E851 WeakPolarHBondContact O-CB 3.29Å; K847-E851 PolarHBondContact O-N 3.33Å; K847-L897 WeakPolarHBondContact CE-O 3.38Å; K847-L897 HydrophobicContact CG-CD1 4.24Å; K847-K898 PolarHBondContact NZ-O 3.48Å; K847-K898 VanDerWaalsContact NZ-O 3.12Å; K847-I900 PolarHBondContact NZ-O 2.9Å |
| 848 | A | 92.1 | Very high | 89.8 | Confident | 56 Ų | 56 | 47 Ų | 47 | 46% | 0.463 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -63.7 | -37.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | E844 Q845 E851 A852 | E844-A848 WeakPolarHBondContact O-CB 3.42Å; E844-A848 PolarHBondContact O-N 3.44Å; Q845-A848 PolarHBondContact O-N 3.09Å; A848-E851 PolarHBondContact O-N 2.75Å; A848-A852 WeakPolarHBondContact O-CB 3.41Å; A848-A852 PolarHBondContact O-N 2.84Å |
| 849 | S | 90.8 | Very high | 89.3 | Confident | 2 Ų | 2 | 47.3 Ų | 47.3 | 1% | 0.014 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.2 | -47.7 | 173.5 | -175.7 | 0 | 0 | 0 | 0 | 111.9 | T98 T99 G101 Q778 Q845 H846 K847 A852 K853 | T98-S849 PolarHBondContact O-OG 2.64Å; T99-S849 WeakPolarHBondContact O-CB 3.39Å; G101-S849 VanDerWaalsContact CA-OG 3.26Å; G101-S849 WeakPolarHBondContact CA-OG 3.39Å; G101-S849 PolarHBondContact N-OG 2.94Å; Q778-S849 PolarHBondContact NE2-OG 2.99Å; Q778-S849 VanDerWaalsContact NE2-OG 3.12Å; Q845-S849 WeakPolarHBondContact O-CB 3.08Å; Q845-S849 PolarHBondContact O-N 3.38Å; H846-S849 WeakPolarHBondContact O-CB 3.47Å; H846-S849 PolarHBondContact O-N 3.37Å; K847-S849 VanDerWaalsContact C-N 3.34Å; K847-S849 PolarHBondContact O-N 2.91Å; S849-A852 PolarHBondContact O-N 3.04Å; S849-K853 WeakPolarHBondContact O-CG 3.35Å; S849-K853 PolarHBondContact O-N 2.75Å |
| 850 | L | 90.3 | Very high | 89.1 | Confident | 10 Ų | 10 | 47.7 Ų | 47.7 | 5% | 0.052 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66.6 | -42.1 | 176.2 | -179.2 | 59.7 | 0 | 0 | 0 | 111.5 | E774 L775 Q778 H846 K847 A852 K853 R854 L897 | E774-L850 HydrophobicContact CB-CD1 4.3Å; E774-L850 HydrophobicContact CB-CD2 3.84Å; L775-L850 HydrophobicContact CB-CD2 4.03Å; L775-L850 HydrophobicContact CD1-CD2 4.42Å; Q778-L850 HydrophobicContact CB-CB 4.41Å; Q778-L850 HydrophobicContact CG-CB 4.12Å; H846-L850 PolarHBondContact O-N 2.98Å; K847-L850 PolarHBondContact O-N 3.29Å; L850-A852 VanDerWaalsContact C-N 3.35Å; L850-A852 PolarHBondContact O-N 2.84Å; L850-K853 PolarHBondContact O-N 3.18Å; L850-R854 HydrophobicContact CD1-CG 3.9Å; L850-R854 HydrophobicContact CG-CG 4.18Å; L850-R854 WeakPolarHBondContact O-CB 3.21Å; L850-R854 VanDerWaalsContact O-CG 3.23Å; L850-R854 WeakPolarHBondContact O-CG 3.34Å; L850-R854 PolarHBondContact O-N 3.02Å; L850-L897 HydrophobicContact CB-CD2 3.98Å; L850-L897 HydrophobicContact CD2-CD1 3.85Å; L850-L897 HydrophobicContact CD2-CD2 3.83Å; L850-L897 HydrophobicContact CD2-CG 4.5Å; L850-L897 HydrophobicContact CG-CD2 3.77Å |
| 851 | E | 89.3 | Confident | 89 | Confident | 46 Ų | 46 | 43 Ų | 43 | 22% | 0.215 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -53.8 | -50.7 | 172 | 167.9 | 167.5 | -163.8 | 0 | 0 | 111 | K847 A848 K853 R854 L855 V894 L897 K898 | K847-E851 WeakPolarHBondContact O-CB 3.29Å; K847-E851 PolarHBondContact O-N 3.33Å; A848-E851 PolarHBondContact O-N 2.75Å; E851-K853 PolarHBondContact O-N 3.01Å; E851-R854 PolarHBondContact O-N 2.76Å; E851-R854 VanDerWaalsContact O-N 3.12Å; E851-L855 HydrophobicContact CG-CD1 3.58Å; E851-L855 HydrophobicContact CG-CG 4.11Å; E851-L855 WeakPolarHBondContact O-CB 3.31Å; E851-L855 WeakPolarHBondContact O-CG 3.41Å; E851-L855 PolarHBondContact O-N 2.8Å; E851-L855 WeakPolarHBondContact OE1-CD1 3.38Å; E851-V894 HydrophobicContact CB-CG1 4.16Å; E851-V894 HydrophobicContact CG-CG1 3.67Å; E851-L897 HydrophobicContact CB-CD2 4.37Å; E851-K898 VanDerWaalsContact CD-NZ 3.32Å; E851-K898 WeakPolarHBondContact OE1-CE 3.49Å; E851-K898 IonicContact OE1-NZ 2.72Å; E851-K898 PolarHBondContact OE1-NZ 3.14Å; E851-K898 WeakPolarHBondContact OE2-CE 3.37Å; E851-K898 IonicContact OE2-NZ 3.81Å; E851-K898 PolarHBondContact OE2-NZ 3.45Å |
| 852 | A | 85.2 | Confident | 88.9 | Confident | 30 Ų | 30 | 39 Ų | 39 | 25% | 0.248 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.4 | -40.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | A120 A848 S849 L850 R854 D856 | A120-A852 HydrophobicContact CB-CB 4.1Å; A848-A852 WeakPolarHBondContact O-CB 3.41Å; A848-A852 PolarHBondContact O-N 2.84Å; S849-A852 PolarHBondContact O-N 3.04Å; L850-A852 VanDerWaalsContact C-N 3.35Å; L850-A852 PolarHBondContact O-N 2.84Å; A852-R854 VanDerWaalsContact C-N 3.34Å; A852-D856 PolarHBondContact O-N 3.07Å |
| 853 | K | 83.7 | Confident | 88.8 | Confident | 55 Ų | 55 | 37.1 Ų | 37.1 | 24% | 0.239 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.8 | -37.3 | 174 | -73.5 | 175.7 | -179.2 | -179.3 | 0 | 112.1 | S849 L850 E851 | S849-K853 WeakPolarHBondContact O-CG 3.35Å; S849-K853 PolarHBondContact O-N 2.75Å; L850-K853 PolarHBondContact O-N 3.18Å; E851-K853 PolarHBondContact O-N 3.01Å |
| 854 | R | 83.1 | Confident | 88.7 | Confident | 35 Ų | 35 | 37 Ų | 37 | 13% | 0.132 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -77.9 | -36.4 | -178.5 | -72.9 | -60 | -54.7 | -111.2 | -15.2 | 113.3 | E774 L850 E851 A852 D856 Y890 E893 V894 | E774-R854 IonicContact OE1-NH1 3.46Å; E774-R854 PolarHBondContact OE1-NH1 2.9Å; E774-R854 WeakPolarHBondContact OE2-CD 3.46Å; E774-R854 IonicContact OE2-CZ 3.96Å; E774-R854 IonicContact OE2-NE 3.9Å; E774-R854 IonicContact OE2-NH1 3.5Å; E774-R854 PolarHBondContact OE2-NH1 3.36Å; L850-R854 HydrophobicContact CD1-CG 3.9Å; L850-R854 HydrophobicContact CG-CG 4.18Å; L850-R854 WeakPolarHBondContact O-CB 3.21Å; L850-R854 VanDerWaalsContact O-CG 3.23Å; L850-R854 WeakPolarHBondContact O-CG 3.34Å; L850-R854 PolarHBondContact O-N 3.02Å; E851-R854 PolarHBondContact O-N 2.76Å; E851-R854 VanDerWaalsContact O-N 3.12Å; A852-R854 VanDerWaalsContact C-N 3.34Å; R854-D856 VanDerWaalsContact C-N 3.29Å; R854-D856 PolarHBondContact O-N 2.98Å; R854-Y890 WeakPolarHBondContact O-CB 3.41Å; R854-Y890 WeakPolarHBondContact O-CD2 3.42Å; R854-E893 IonicContact CZ-OE2 3.51Å; R854-E893 IonicContact NH1-OE2 3.29Å; R854-E893 PolarHBondContact NH1-OE2 2.88Å; R854-E893 IonicContact NH2-OE2 2.75Å; R854-E893 PolarHBondContact NH2-OE2 3.06Å; R854-V894 HydrophobicContact CB-CG2 3.65Å; R854-V894 HydrophobicContact CG-CG2 4.44Å |
| 855 | L | 81.4 | Confident | 88.6 | Confident | 46 Ų | 46 | 32.7 Ų | 32.7 | 24% | 0.241 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -79 | -5 | 177.3 | -64.6 | -179 | 0 | 0 | 0 | 113.9 | E851 K857 Y890 V891 V894 | E851-L855 HydrophobicContact CG-CD1 3.58Å; E851-L855 HydrophobicContact CG-CG 4.11Å; E851-L855 WeakPolarHBondContact O-CB 3.31Å; E851-L855 WeakPolarHBondContact O-CG 3.41Å; E851-L855 PolarHBondContact O-N 2.8Å; E851-L855 WeakPolarHBondContact OE1-CD1 3.38Å; L855-K857 PolarHBondContact O-N 2.96Å; L855-K857 VanDerWaalsContact O-N 3.08Å; L855-Y890 WeakPolarHBondContact CD2-O 3.37Å; L855-V891 HydrophobicContact CD2-CG2 4.19Å; L855-V894 HydrophobicContact CD2-CG2 4.17Å; L855-V894 HydrophobicContact CG-CG2 4.3Å |
| 856 | D | 79.2 | Confident | 88.6 | Confident | 33 Ų | 33 | 31.3 Ų | 31.3 | 18% | 0.176 | 18% | 0.179 | C | C | . | . | trans | -59.5 | 113.6 | -179.4 | -174.8 | 33.4 | 0 | 0 | 0 | 112.2 | A852 R854 K859 K867 | A852-D856 PolarHBondContact O-N 3.07Å; R854-D856 VanDerWaalsContact C-N 3.29Å; R854-D856 PolarHBondContact O-N 2.98Å; D856-K859 IonicContact OD1-NZ 2.73Å; D856-K859 PolarHBondContact OD1-NZ 3.35Å; D856-K867 PolarHBondContact O-NZ 2.88Å; D856-K867 VanDerWaalsContact O-NZ 3.16Å | ||
| 857 | K | 80.5 | Confident | 88.4 | Confident | 70 Ų | 70 | 34.3 Ų | 34.3 | 30% | 0.304 | 19% | 0.192 | S | C | . | . | trans | -69.6 | 142.3 | -175.8 | -62.9 | -165.7 | -169.4 | 106.8 | 0 | 111.3 | E50 L855 K859 Y889 | E50-K857 WeakPolarHBondContact OE1-CD 3.27Å; E50-K857 WeakPolarHBondContact OE1-CE 3.07Å; E50-K857 WeakPolarHBondContact OE1-CG 3.13Å; E50-K857 IonicContact OE1-NZ 3.2Å; E50-K857 PolarHBondContact OE1-NZ 2.9Å; L855-K857 PolarHBondContact O-N 2.96Å; L855-K857 VanDerWaalsContact O-N 3.08Å; K857-K859 PolarHBondContact O-N 3.03Å; K857-K859 PolarHBondContact O-NZ 2.92Å; K857-Y889 HydrophobicContact CB-CD2 4.25Å; K857-Y889 HydrophobicContact CD-CD2 3.95Å; K857-Y889 HydrophobicContact CD-CE2 4.46Å; K857-Y889 HydrophobicContact CG-CD2 3.85Å | ||
| 858 | P | 86.1 | Confident | 88.3 | Confident | 9 Ų | 9 | 34 Ų | 34 | 6% | 0.058 | 19% | 0.19 | C | C | . | . | trans | -59.7 | 126.2 | 171 | -7.6 | 22 | 0 | 0 | 0 | 109.1 | F532 K860 A863 A864 K867 | F532-P858 VanDerWaalsContact CE1-O 3.25Å; F532-P858 WeakPolarHBondContact CE1-O 3.48Å; F532-P858 HydrophobicContact CZ-CB 4.41Å; F532-P858 WeakPolarHBondContact CZ-O 3.35Å; P858-K860 PolarHBondContact O-N 3.42Å; P858-A863 HydrophobicContact CB-CB 3.99Å; P858-A864 HydrophobicContact CB-CB 3.84Å; P858-A864 HydrophobicContact CG-CB 3.81Å; P858-K867 HydrophobicContact CG-CD 3.86Å | ||
| 859 | K | 85.3 | Confident | 88.4 | Confident | 22 Ų | 22 | 32 Ų | 32 | 10% | 0.096 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -80 | -3.7 | 179.4 | -51.9 | -62.2 | -179.7 | -103.3 | 0 | 113.2 | E50 K393 D856 K857 | E50-K859 IonicContact OE2-NZ 2.78Å; E50-K859 PolarHBondContact OE2-NZ 3.17Å; K393-K859 WeakPolarHBondContact CB-O 3.39Å; K393-K859 HydrophobicContact CG-CB 4.44Å; K393-K859 WeakPolarHBondContact O-CB 3.32Å; D856-K859 IonicContact OD1-NZ 2.73Å; D856-K859 PolarHBondContact OD1-NZ 3.35Å; K857-K859 PolarHBondContact O-N 3.03Å; K857-K859 PolarHBondContact O-NZ 2.92Å |
| 860 | K | 89.5 | Confident | 88.4 | Confident | 85 Ų | 85 | 34.3 Ų | 34.3 | 37% | 0.37 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -153.7 | 152.4 | -177.2 | 63.7 | 180 | -170 | 160.5 | 0 | 113.5 | D392 F532 P858 S862 A863 A864 | D392-K860 HydrophobicContact CB-CB 3.81Å; D392-K860 HydrophobicContact CB-CD 4Å; D392-K860 WeakPolarHBondContact OD2-CD 3Å; F532-K860 VanDerWaalsContact CE1-CA 3.46Å; F532-K860 VanDerWaalsContact CE1-N 3.31Å; F532-K860 VanDerWaalsContact CZ-C 3.49Å; P858-K860 PolarHBondContact O-N 3.42Å; K860-S862 VanDerWaalsContact C-N 3.29Å; K860-S862 WeakPolarHBondContact CD-OG 3.26Å; K860-S862 WeakPolarHBondContact CE-OG 3.3Å; K860-S862 PolarHBondContact NZ-OG 2.99Å; K860-S862 PolarHBondContact O-N 2.81Å; K860-A863 HydrophobicContact CG-CB 3.82Å; K860-A863 WeakPolarHBondContact O-CB 3.43Å; K860-A863 PolarHBondContact O-N 3.46Å; K860-A864 PolarHBondContact O-N 3.25Å; K860-A864 VanDerWaalsContact O-N 3.12Å |
| 861 | L | 93.8 | Very high | 88.4 | Confident | 8 Ų | 8 | 35 Ų | 35 | 4% | 0.042 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -51.6 | -42.6 | -179.4 | -176.7 | 68 | 0 | 0 | 0 | 113.5 | D529 F532 K536 V538 A863 A864 S865 | D529-L861 HydrophobicContact CB-CD1 4.18Å; F532-L861 HydrophobicContact CD2-CB 3.77Å; F532-L861 HydrophobicContact CD2-CD1 3.98Å; F532-L861 HydrophobicContact CE2-CB 4.29Å; F532-L861 HydrophobicContact CE2-CD1 4.37Å; F532-L861 HydrophobicContact CG-CB 4.3Å; K536-L861 HydrophobicContact CB-CD2 4.14Å; K536-L861 WeakPolarHBondContact O-CD2 3.36Å; V538-L861 HydrophobicContact CG2-CD2 4.02Å; V538-L861 HydrophobicContact CG2-CG 3.99Å; L861-A863 VanDerWaalsContact C-N 3.32Å; L861-A863 PolarHBondContact O-N 2.9Å; L861-A864 PolarHBondContact O-N 3.42Å; L861-S865 WeakPolarHBondContact O-CB 3.29Å; L861-S865 PolarHBondContact O-N 3.06Å; L861-S865 PolarHBondContact O-OG 3.04Å |
| 862 | S | 92.3 | Very high | 88.6 | Confident | 42 Ų | 42 | 32.9 Ų | 32.9 | 29% | 0.294 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -64.7 | -32.7 | 178.7 | 49 | 0 | 0 | 0 | 0 | 113.3 | K860 A866 | K860-S862 VanDerWaalsContact C-N 3.29Å; K860-S862 WeakPolarHBondContact CD-OG 3.26Å; K860-S862 WeakPolarHBondContact CE-OG 3.3Å; K860-S862 PolarHBondContact NZ-OG 2.99Å; K860-S862 PolarHBondContact O-N 2.81Å; S862-A866 WeakPolarHBondContact O-CB 3.26Å; S862-A866 PolarHBondContact O-N 3.17Å |
| 863 | A | 90.7 | Very high | 88.8 | Confident | 34 Ų | 34 | 33.5 Ų | 33.5 | 28% | 0.281 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -78 | -35.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | P858 K860 L861 K867 | P858-A863 HydrophobicContact CB-CB 3.99Å; K860-A863 HydrophobicContact CG-CB 3.82Å; K860-A863 WeakPolarHBondContact O-CB 3.43Å; K860-A863 PolarHBondContact O-N 3.46Å; L861-A863 VanDerWaalsContact C-N 3.32Å; L861-A863 PolarHBondContact O-N 2.9Å; A863-K867 PolarHBondContact O-N 3.24Å |
| 864 | A | 91.9 | Very high | 89 | Confident | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.008 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -65.6 | -45.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | F532 P858 K860 L861 A866 K867 Y868 | F532-A864 HydrophobicContact CE2-CB 3.87Å; F532-A864 HydrophobicContact CZ-CB 4.05Å; P858-A864 HydrophobicContact CB-CB 3.84Å; P858-A864 HydrophobicContact CG-CB 3.81Å; K860-A864 PolarHBondContact O-N 3.25Å; K860-A864 VanDerWaalsContact O-N 3.12Å; L861-A864 PolarHBondContact O-N 3.42Å; A864-A866 PolarHBondContact O-N 2.87Å; A864-K867 WeakPolarHBondContact O-CB 3.27Å; A864-K867 PolarHBondContact O-N 2.78Å; A864-Y868 WeakPolarHBondContact O-CD2 3.23Å; A864-Y868 PolarHBondContact O-N 3.4Å |
| 865 | S | 94.3 | Very high | 89.4 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.9 | -45.8 | 176.5 | -50.5 | 0 | 0 | 0 | 0 | 111.8 | Q540 H695 L861 K867 Y868 W869 | Q540-S865 PolarHBondContact OE1-O 3Å; H695-S865 PolarHBondContact ND1-OG 3.15Å; L861-S865 WeakPolarHBondContact O-CB 3.29Å; L861-S865 PolarHBondContact O-N 3.06Å; L861-S865 PolarHBondContact O-OG 3.04Å; S865-K867 VanDerWaalsContact C-N 3.27Å; S865-K867 PolarHBondContact O-N 3.42Å; S865-Y868 PolarHBondContact O-N 2.89Å; S865-Y868 VanDerWaalsContact O-N 3.17Å; S865-W869 WeakPolarHBondContact O-CB 3.38Å; S865-W869 PolarHBondContact O-N 2.75Å |
| 866 | A | 92.1 | Very high | 89.7 | Confident | 53 Ų | 53 | 31.2 Ų | 31.2 | 44% | 0.438 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -59.9 | -34.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | S862 A864 W869 A870 | S862-A866 WeakPolarHBondContact O-CB 3.26Å; S862-A866 PolarHBondContact O-N 3.17Å; A864-A866 PolarHBondContact O-N 2.87Å; A866-W869 PolarHBondContact O-N 3.35Å; A866-A870 PolarHBondContact O-N 2.93Å |
| 867 | K | 89.3 | Confident | 90.3 | Very high | 70 Ų | 70 | 29.9 Ų | 29.9 | 30% | 0.304 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -65.7 | -46 | 174.7 | -81.9 | 166.5 | 147.7 | -161.6 | 0 | 111.5 | D856 P858 A863 A864 S865 A870 Y890 | D856-K867 PolarHBondContact O-NZ 2.88Å; D856-K867 VanDerWaalsContact O-NZ 3.16Å; P858-K867 HydrophobicContact CG-CD 3.86Å; A863-K867 PolarHBondContact O-N 3.24Å; A864-K867 WeakPolarHBondContact O-CB 3.27Å; A864-K867 PolarHBondContact O-N 2.78Å; S865-K867 VanDerWaalsContact C-N 3.27Å; S865-K867 PolarHBondContact O-N 3.42Å; K867-A870 PolarHBondContact O-N 3.23Å; K867-Y890 WeakPolarHBondContact CB-OH 3.35Å; K867-Y890 HydrophobicContact CD-CE2 4.15Å; K867-Y890 WeakPolarHBondContact CD-OH 3.17Å; K867-Y890 WeakPolarHBondContact CE-OH 3.4Å; K867-Y890 WeakPolarHBondContact CG-OH 3.44Å |
| 868 | Y | 92.8 | Very high | 90.6 | Very high | 6 Ų | 6 | 27 Ų | 27 | 2% | 0.024 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -66.2 | -37.8 | 173.6 | -60.4 | -45.4 | 0 | 0 | 0 | 113 | P513 K527 H695 A864 S865 A870 E871 I872 F879 | P513-Y868 HydrophobicContact CG-CD1 3.66Å; P513-Y868 HydrophobicContact CG-CD2 3.74Å; P513-Y868 HydrophobicContact CG-CE1 4.05Å; P513-Y868 HydrophobicContact CG-CE2 4.12Å; P513-Y868 HydrophobicContact CG-CG 3.48Å; P513-Y868 VanDerWaalsContact CG-CG 3.48Å; K527-Y868 HydrophobicContact CD-CE2 3.74Å; K527-Y868 WeakPolarHBondContact CD-OH 3.29Å; K527-Y868 WeakPolarHBondContact CE-OH 3.29Å; H695-Y868 AromaticContact CE1-CE2 3.69Å; A864-Y868 WeakPolarHBondContact O-CD2 3.23Å; A864-Y868 PolarHBondContact O-N 3.4Å; S865-Y868 PolarHBondContact O-N 2.89Å; S865-Y868 VanDerWaalsContact O-N 3.17Å; Y868-A870 VanDerWaalsContact C-N 3.3Å; Y868-A870 PolarHBondContact O-N 3.41Å; Y868-E871 PolarHBondContact O-N 3.19Å; Y868-I872 PolarHBondContact O-N 2.91Å; Y868-I872 VanDerWaalsContact O-N 3.13Å; Y868-F879 HydrophobicContact CD1-CD1 4.01Å |
| 869 | W | 94.4 | Very high | 90.6 | Very high | 14 Ų | 14 | 27 Ų | 27 | 5% | 0.053 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -66 | -31.1 | 178 | -164.3 | -118.6 | 0 | 0 | 0 | 112.6 | Q540 M542 L693 S865 A866 I872 T873 | Q540-W869 VanDerWaalsContact C-CH2 3.48Å; Q540-W869 HydrophobicContact CB-CD2 3.65Å; Q540-W869 HydrophobicContact CB-CE3 3.7Å; Q540-W869 HydrophobicContact CB-CG 4.33Å; Q540-W869 HydrophobicContact CB-CH2 3.83Å; Q540-W869 HydrophobicContact CB-CZ2 3.75Å; Q540-W869 HydrophobicContact CB-CZ3 3.81Å; Q540-W869 HydrophobicContact CG-CD2 4.36Å; Q540-W869 VanDerWaalsContact NE2-CD1 3.27Å; Q540-W869 WeakPolarHBondContact O-CH2 3.32Å; M542-W869 HydrophobicContact CB-CH2 3.78Å; M542-W869 HydrophobicContact CB-CZ2 3.78Å; L693-W869 HydrophobicContact CB-CE3 3.61Å; L693-W869 HydrophobicContact CB-CZ3 3.66Å; L693-W869 HydrophobicContact CD2-CB 4.47Å; L693-W869 HydrophobicContact CD2-CE3 4.23Å; S865-W869 WeakPolarHBondContact O-CB 3.38Å; S865-W869 PolarHBondContact O-N 2.75Å; A866-W869 PolarHBondContact O-N 3.35Å; W869-I872 HydrophobicContact CE3-CB 4.28Å; W869-I872 HydrophobicContact CE3-CD1 4Å; W869-I872 HydrophobicContact CE3-CG2 4.25Å; W869-I872 HydrophobicContact CZ3-CD1 4.32Å; W869-I872 HydrophobicContact CZ3-CG2 4.07Å; W869-I872 PolarHBondContact O-N 3.09Å; W869-T873 HydrophobicContact CD2-CG2 4.02Å; W869-T873 HydrophobicContact CG-CG2 4.13Å; W869-T873 HydrophobicContact CZ2-CG2 4.18Å; W869-T873 WeakPolarHBondContact O-CB 3.26Å; W869-T873 VanDerWaalsContact O-CG2 3.31Å; W869-T873 WeakPolarHBondContact O-CG2 3.3Å; W869-T873 PolarHBondContact O-N 3.27Å; W869-T873 PolarHBondContact O-OG1 2.86Å |
| 870 | A | 90.6 | Very high | 90 | Very high | 51 Ų | 51 | 27.8 Ų | 27.8 | 42% | 0.421 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -63.9 | -40.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | A866 K867 Y868 T873 S874 | A866-A870 PolarHBondContact O-N 2.93Å; K867-A870 PolarHBondContact O-N 3.23Å; Y868-A870 VanDerWaalsContact C-N 3.3Å; Y868-A870 PolarHBondContact O-N 3.41Å; A870-T873 PolarHBondContact O-OG1 3.29Å; A870-S874 VanDerWaalsContact O-CB 3.22Å; A870-S874 WeakPolarHBondContact O-CB 3.4Å; A870-S874 PolarHBondContact O-N 2.78Å; A870-S874 PolarHBondContact O-OG 3.11Å |
| 871 | E | 91.5 | Very high | 89.1 | Confident | 26 Ų | 26 | 24.7 Ų | 24.7 | 12% | 0.121 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -69 | -35.5 | 176 | -65.6 | -62.7 | 150.5 | 0 | 0 | 112.5 | Y868 S874 E875 Q876 Y877 H878 F879 R881 | Y868-E871 PolarHBondContact O-N 3.19Å; E871-S874 PolarHBondContact O-OG 2.88Å; E871-E875 PolarHBondContact O-N 2.81Å; E871-Q876 PolarHBondContact O-N 3.33Å; E871-Q876 VanDerWaalsContact O-N 3.15Å; E871-Q876 WeakPolarHBondContact OE2-CB 3.34Å; E871-Y877 PolarHBondContact O-N 2.98Å; E871-H878 WeakPolarHBondContact OE2-CA 3.49Å; E871-H878 WeakPolarHBondContact OE2-CB 3.27Å; E871-H878 PolarHBondContact OE2-N 3.46Å; E871-F879 HydrophobicContact CB-CD1 4.02Å; E871-F879 HydrophobicContact CB-CE1 4.05Å; E871-R881 IonicContact OE1-CZ 3.39Å; E871-R881 IonicContact OE1-NE 2.88Å; E871-R881 PolarHBondContact OE1-NE 3.41Å; E871-R881 IonicContact OE1-NH2 3.2Å; E871-R881 IonicContact OE2-CZ 3.54Å; E871-R881 IonicContact OE2-NE 2.68Å; E871-R881 IonicContact OE2-NH2 2.84Å; E871-R881 PolarHBondContact OE2-NH2 2.84Å |
| 872 | I | 92.9 | Very high | 87 | Confident | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -69.7 | -51 | 174.6 | -66.4 | 161.9 | 0 | 0 | 0 | 111 | W525 M542 E691 L693 Y868 W869 S874 E875 Y877 F879 | W525-I872 HydrophobicContact CB-CD1 4.01Å; W525-I872 HydrophobicContact CD2-CD1 4.42Å; W525-I872 HydrophobicContact CG-CD1 3.74Å; W525-I872 HydrophobicContact CG-CG1 4.27Å; M542-I872 HydrophobicContact CE-CG2 4.09Å; E691-I872 HydrophobicContact CG-CG2 3.87Å; L693-I872 HydrophobicContact CB-CD1 4.02Å; L693-I872 HydrophobicContact CD1-CD1 4.37Å; L693-I872 HydrophobicContact CD2-CD1 4.3Å; L693-I872 HydrophobicContact CG-CD1 4.46Å; Y868-I872 PolarHBondContact O-N 2.91Å; Y868-I872 VanDerWaalsContact O-N 3.13Å; W869-I872 HydrophobicContact CE3-CB 4.28Å; W869-I872 HydrophobicContact CE3-CD1 4Å; W869-I872 HydrophobicContact CE3-CG2 4.25Å; W869-I872 HydrophobicContact CZ3-CD1 4.32Å; W869-I872 HydrophobicContact CZ3-CG2 4.07Å; W869-I872 PolarHBondContact O-N 3.09Å; I872-S874 PolarHBondContact O-N 2.61Å; I872-E875 WeakPolarHBondContact O-CA 3.34Å; I872-E875 PolarHBondContact O-N 3.44Å; I872-Y877 HydrophobicContact CG1-CD1 4.39Å; I872-Y877 HydrophobicContact CG2-CE1 4.47Å; I872-F879 HydrophobicContact CD1-CE1 4.2Å; I872-F879 HydrophobicContact CD1-CZ 4.34Å; I872-F879 HydrophobicContact CG1-CE1 3.83Å; I872-F879 HydrophobicContact CG1-CZ 3.88Å |
| 873 | T | 90.5 | Very high | 84.9 | Confident | 43 Ų | 43 | 23.5 Ų | 23.5 | 26% | 0.264 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -71.6 | -27.5 | -175.8 | 53.5 | 0 | 0 | 0 | 0 | 113.8 | M542 W869 A870 E875 | M542-T873 HydrophobicContact SD-CG2 3.85Å; W869-T873 HydrophobicContact CD2-CG2 4.02Å; W869-T873 HydrophobicContact CG-CG2 4.13Å; W869-T873 HydrophobicContact CZ2-CG2 4.18Å; W869-T873 WeakPolarHBondContact O-CB 3.26Å; W869-T873 VanDerWaalsContact O-CG2 3.31Å; W869-T873 WeakPolarHBondContact O-CG2 3.3Å; W869-T873 PolarHBondContact O-N 3.27Å; W869-T873 PolarHBondContact O-OG1 2.86Å; A870-T873 PolarHBondContact O-OG1 3.29Å; T873-E875 VanDerWaalsContact C-N 3.26Å |
| 874 | S | 87.5 | Confident | 82.2 | Confident | 47 Ų | 47 | 24 Ų | 24 | 33% | 0.329 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -11.1 | 168.8 | 62.8 | 0 | 0 | 0 | 0 | 113.5 | A870 E871 I872 Q876 | A870-S874 VanDerWaalsContact O-CB 3.22Å; A870-S874 WeakPolarHBondContact O-CB 3.4Å; A870-S874 PolarHBondContact O-N 2.78Å; A870-S874 PolarHBondContact O-OG 3.11Å; E871-S874 PolarHBondContact O-OG 2.88Å; I872-S874 PolarHBondContact O-N 2.61Å; S874-Q876 PolarHBondContact O-N 3.33Å |
| 875 | E | 90.3 | Very high | 79.4 | Confident | 24 Ų | 24 | 30.1 Ų | 30.1 | 11% | 0.112 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.3 | 24.1 | -171.9 | -57.1 | 170.8 | -160.1 | 0 | 0 | 114 | R544 E871 I872 T873 Y877 R967 | R544-E875 IonicContact CZ-OE1 2.68Å; R544-E875 IonicContact NH1-OE1 2.71Å; R544-E875 PolarHBondContact NH1-OE1 3.44Å; R544-E875 IonicContact NH2-OE1 3.79Å; R544-E875 PolarHBondContact NH2-OE1 3.25Å; E871-E875 PolarHBondContact O-N 2.81Å; I872-E875 WeakPolarHBondContact O-CA 3.34Å; I872-E875 PolarHBondContact O-N 3.44Å; T873-E875 VanDerWaalsContact C-N 3.26Å; E875-Y877 VanDerWaalsContact C-CE2 3.44Å; E875-Y877 VanDerWaalsContact CA-CE2 3.42Å; E875-Y877 HydrophobicContact CB-CE2 3.74Å; E875-Y877 HydrophobicContact CG-CE2 4.4Å; E875-Y877 WeakPolarHBondContact O-CD2 3.38Å; E875-Y877 WeakPolarHBondContact O-CE2 3.13Å; E875-R967 IonicContact OE1-NH2 3.26Å; E875-R967 IonicContact OE2-CZ 3.36Å; E875-R967 IonicContact OE2-NH1 2.68Å; E875-R967 PolarHBondContact OE2-NH1 2.59Å; E875-R967 IonicContact OE2-NH2 3.67Å; E875-R967 PolarHBondContact OE2-NH2 2.79Å |
| 876 | Q | 89 | Confident | 76.5 | Confident | 17 Ų | 17 | 36.9 Ų | 36.9 | 8% | 0.079 | 22% | 0.216 | C | C | . | . | trans | -84.8 | -30 | 172.8 | -63.6 | -165 | 58.1 | 0 | 0 | 111.7 | E765 E871 S874 H878 R881 A968 H971 | E765-Q876 PolarHBondContact OE2-NE2 3.27Å; E871-Q876 PolarHBondContact O-N 3.33Å; E871-Q876 VanDerWaalsContact O-N 3.15Å; E871-Q876 WeakPolarHBondContact OE2-CB 3.34Å; S874-Q876 PolarHBondContact O-N 3.33Å; Q876-H878 PolarHBondContact O-N 2.81Å; Q876-R881 VanDerWaalsContact CD-NH2 3.28Å; Q876-A968 HydrophobicContact CG-CB 4.07Å; Q876-H971 WeakPolarHBondContact O-CB 3.24Å; Q876-H971 PolarHBondContact O-N 3.05Å | ||
| 877 | Y | 91.5 | Very high | 73.6 | Confident | 6 Ų | 6 | 40.3 Ų | 40.3 | 2% | 0.024 | 23% | 0.226 | C | C | . | . | trans | 49.9 | 28.5 | 178.1 | -47.3 | -86.5 | 0 | 0 | 0 | 114.3 | W525 E691 E871 I872 E875 F879 P970 V974 | W525-Y877 HydrophobicContact CH2-CD1 4.04Å; W525-Y877 AromaticContact CZ2-CD1 3.4Å; W525-Y877 HydrophobicContact CZ2-CD1 3.4Å; W525-Y877 VanDerWaalsContact CZ2-CD1 3.4Å; W525-Y877 AromaticContact CZ2-CE1 3.57Å; W525-Y877 HydrophobicContact CZ2-CE1 3.57Å; W525-Y877 HydrophobicContact CZ2-CG 4.39Å; E691-Y877 PolarHBondContact OE1-OH 3.18Å; E871-Y877 PolarHBondContact O-N 2.98Å; I872-Y877 HydrophobicContact CG1-CD1 4.39Å; I872-Y877 HydrophobicContact CG2-CE1 4.47Å; E875-Y877 VanDerWaalsContact C-CE2 3.44Å; E875-Y877 VanDerWaalsContact CA-CE2 3.42Å; E875-Y877 HydrophobicContact CB-CE2 3.74Å; E875-Y877 HydrophobicContact CG-CE2 4.4Å; E875-Y877 WeakPolarHBondContact O-CD2 3.38Å; E875-Y877 WeakPolarHBondContact O-CE2 3.13Å; Y877-F879 VanDerWaalsContact C-N 3.25Å; Y877-F879 HydrophobicContact CD1-CZ 4.32Å; Y877-F879 PolarHBondContact O-N 3.46Å; Y877-F879 VanDerWaalsContact O-N 3.09Å; Y877-P970 HydrophobicContact CD2-CB 4.04Å; Y877-P970 HydrophobicContact CE2-CB 4.49Å; Y877-V974 HydrophobicContact CD1-CG2 4.09Å; Y877-V974 HydrophobicContact CD2-CG2 3.64Å; Y877-V974 HydrophobicContact CE1-CG2 4.17Å; Y877-V974 HydrophobicContact CE2-CB 4.25Å; Y877-V974 HydrophobicContact CE2-CG2 3.73Å; Y877-V974 HydrophobicContact CG-CG2 3.81Å | ||
| 878 | H | 87.3 | Confident | 71 | Confident | 8 Ų | 8 | 38.3 Ų | 38.3 | 4% | 0.037 | 22% | 0.22 | C | C | . | . | trans | -88.4 | 68 | 178.6 | -162.1 | 178.8 | 0 | 0 | 0 | 108.2 | E871 Q876 N880 R881 D892 H971 | E871-H878 WeakPolarHBondContact OE2-CA 3.49Å; E871-H878 WeakPolarHBondContact OE2-CB 3.27Å; E871-H878 PolarHBondContact OE2-N 3.46Å; Q876-H878 PolarHBondContact O-N 2.81Å; H878-N880 PolarHBondContact CD2-O 2.95Å; H878-N880 VanDerWaalsContact CD2-O 3.31Å; H878-N880 PolarHBondContact NE2-O 3.44Å; H878-N880 PolarHBondContact O-N 2.9Å; H878-R881 HydrophobicContact CB-CB 4.11Å; H878-R881 PolarHBondContact CD2-N 3.06Å; H878-R881 VanDerWaalsContact CD2-N 3.25Å; H878-R881 VanDerWaalsContact O-CB 3.25Å; H878-R881 WeakPolarHBondContact O-CB 3.46Å; H878-R881 PolarHBondContact O-N 2.74Å; H878-D892 IonicContact NE2-OD2 2.69Å; H878-H971 HydrophobicContact CB-CB 3.75Å; H878-H971 AromaticContact CD2-CD2 3.59Å; H878-H971 AromaticContact CD2-CE1 3.43Å; H878-H971 PolarHBondContact CD2-CE1 2.87Å; H878-H971 VanDerWaalsContact CD2-CE1 3.43Å; H878-H971 AromaticContact CD2-CG 3.49Å; H878-H971 VanDerWaalsContact CD2-CG 3.49Å; H878-H971 AromaticContact CD2-ND1 3.38Å; H878-H971 PolarHBondContact CD2-ND1 2.84Å; H878-H971 AromaticContact CD2-NE2 3.57Å; H878-H971 AromaticContact CE1-CE1 3.67Å; H878-H971 AromaticContact CE1-ND1 3.55Å; H878-H971 AromaticContact CG-CG 3.62Å; H878-H971 AromaticContact CG-ND1 3.54Å; H878-H971 AromaticContact ND1-ND1 3.64Å; H878-H971 AromaticContact NE2-CE1 3.17Å; H878-H971 PolarHBondContact NE2-CE1 3.36Å; H878-H971 AromaticContact NE2-CG 4Å; H878-H971 AromaticContact NE2-ND1 3.4Å; H878-H971 PolarHBondContact NE2-ND1 2.72Å; H878-H971 AromaticContact NE2-NE2 3.65Å | ||
| 879 | F | 85.2 | Confident | 68.8 | Low | 10 Ų | 10 | 39 Ų | 39 | 4% | 0.044 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -32.9 | -179.4 | -57.8 | -58.8 | 0 | 0 | 0 | 112 | E512 P513 W525 Y868 E871 I872 Y877 R881 I972 | E512-F879 HydrophobicContact CB-CB 4Å; P513-F879 HydrophobicContact CB-CE1 4.37Å; P513-F879 HydrophobicContact CB-CZ 4.33Å; P513-F879 HydrophobicContact CG-CD1 4.04Å; P513-F879 HydrophobicContact CG-CE1 4.11Å; P513-F879 HydrophobicContact CG-CG 4.39Å; W525-F879 HydrophobicContact CD2-CZ 4.09Å; W525-F879 AromaticContact CE3-CE2 3.82Å; W525-F879 HydrophobicContact CE3-CE2 3.82Å; W525-F879 AromaticContact CE3-CZ 3.83Å; W525-F879 HydrophobicContact CE3-CZ 3.83Å; W525-F879 AromaticContact CH2-CE2 3.93Å; W525-F879 HydrophobicContact CH2-CE2 3.93Å; W525-F879 HydrophobicContact CH2-CZ 4.21Å; W525-F879 HydrophobicContact CZ2-CZ 4.41Å; W525-F879 AromaticContact CZ3-CE2 3.52Å; W525-F879 HydrophobicContact CZ3-CE2 3.52Å; W525-F879 AromaticContact CZ3-CZ 3.92Å; W525-F879 HydrophobicContact CZ3-CZ 3.92Å; Y868-F879 HydrophobicContact CD1-CD1 4.01Å; E871-F879 HydrophobicContact CB-CD1 4.02Å; E871-F879 HydrophobicContact CB-CE1 4.05Å; I872-F879 HydrophobicContact CD1-CE1 4.2Å; I872-F879 HydrophobicContact CD1-CZ 4.34Å; I872-F879 HydrophobicContact CG1-CE1 3.83Å; I872-F879 HydrophobicContact CG1-CZ 3.88Å; Y877-F879 VanDerWaalsContact C-N 3.25Å; Y877-F879 HydrophobicContact CD1-CZ 4.32Å; Y877-F879 PolarHBondContact O-N 3.46Å; Y877-F879 VanDerWaalsContact O-N 3.09Å; F879-R881 VanDerWaalsContact C-N 3.35Å; F879-R881 PolarHBondContact O-N 2.81Å; F879-I972 HydrophobicContact CE2-CD1 4.12Å |
| 880 | N | 72 | Confident | 66.8 | Low | 38 Ų | 38 | 39.9 Ų | 39.9 | 20% | 0.203 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | 40.7 | 169.3 | -51.6 | -39.5 | 0 | 0 | 0 | 111.9 | E512 H878 G882 M883 D892 | E512-N880 PolarHBondContact OE2-ND2 3.29Å; E512-N880 PolarHBondContact OE2-OD1 3.19Å; H878-N880 PolarHBondContact CD2-O 2.95Å; H878-N880 VanDerWaalsContact CD2-O 3.31Å; H878-N880 PolarHBondContact NE2-O 3.44Å; H878-N880 PolarHBondContact O-N 2.9Å; N880-G882 VanDerWaalsContact C-C 3.44Å; N880-G882 CarbonylContact O-C 3.59Å; N880-G882 WeakPolarHBondContact O-CA 3.33Å; N880-G882 PolarHBondContact O-N 2.84Å; N880-G882 VanDerWaalsContact O-N 3.09Å; N880-M883 HydrophobicContact CB-CB 4.11Å; N880-M883 HydrophobicContact CB-CG 4.21Å; N880-M883 WeakPolarHBondContact OD1-CG 3.33Å; N880-M883 PolarHBondContact OD1-SD 2.85Å; N880-D892 WeakPolarHBondContact O-CB 3.17Å; N880-D892 VanDerWaalsContact O-OD1 3.09Å |
| 881 | R | 70.4 | Confident | 65.3 | Low | 20 Ų | 20 | 39 Ų | 39 | 8% | 0.075 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -59.8 | -17.9 | 168.8 | -171.9 | 176.2 | -61 | -84.1 | -3.5 | 112 | E871 Q876 H878 F879 E893 | E871-R881 IonicContact OE1-CZ 3.39Å; E871-R881 IonicContact OE1-NE 2.88Å; E871-R881 PolarHBondContact OE1-NE 3.41Å; E871-R881 IonicContact OE1-NH2 3.2Å; E871-R881 IonicContact OE2-CZ 3.54Å; E871-R881 IonicContact OE2-NE 2.68Å; E871-R881 IonicContact OE2-NH2 2.84Å; E871-R881 PolarHBondContact OE2-NH2 2.84Å; Q876-R881 VanDerWaalsContact CD-NH2 3.28Å; H878-R881 HydrophobicContact CB-CB 4.11Å; H878-R881 PolarHBondContact CD2-N 3.06Å; H878-R881 VanDerWaalsContact CD2-N 3.25Å; H878-R881 VanDerWaalsContact O-CB 3.25Å; H878-R881 WeakPolarHBondContact O-CB 3.46Å; H878-R881 PolarHBondContact O-N 2.74Å; F879-R881 VanDerWaalsContact C-N 3.35Å; F879-R881 PolarHBondContact O-N 2.81Å; R881-E893 WeakPolarHBondContact CD-OE1 3.45Å; R881-E893 HydrophobicContact CG-CG 3.91Å; R881-E893 VanDerWaalsContact CG-OE1 3.3Å; R881-E893 WeakPolarHBondContact CG-OE1 3.01Å; R881-E893 WeakPolarHBondContact CG-OE2 3.33Å; R881-E893 IonicContact NH1-OE1 2.85Å; R881-E893 PolarHBondContact NH1-OE1 3.39Å; R881-E893 VanDerWaalsContact NH1-OE1 3.16Å; R881-E893 WeakPolarHBondContact O-CB 3.37Å; R881-E893 PolarHBondContact O-N 3.01Å |
| 882 | G | 50.5 | Low | 64.6 | Low | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.01 | 23% | 0.225 | C | C | . | . | S | Bend | -149.5 | 164.8 | 117.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | N880 Y890 V891 D892 | N880-G882 VanDerWaalsContact C-C 3.44Å; N880-G882 CarbonylContact O-C 3.59Å; N880-G882 WeakPolarHBondContact O-CA 3.33Å; N880-G882 PolarHBondContact O-N 2.84Å; N880-G882 VanDerWaalsContact O-N 3.09Å; G882-Y890 VanDerWaalsContact C-C 3.46Å; G882-Y890 VanDerWaalsContact C-N 3.27Å; G882-Y890 VanDerWaalsContact CA-CA 3.43Å; G882-Y890 WeakPolarHBondContact O-CA 3.44Å; G882-Y890 PolarHBondContact O-N 3.38Å; G882-V891 VanDerWaalsContact CA-N 3.3Å; G882-D892 WeakPolarHBondContact CA-OD1 3.42Å | |
| 883 | M | 48.7 | Very low | 64.2 | Low | 24 Ų | 24 | 40.5 Ų | 40.5 | 12% | 0.118 | 23% | 0.225 | C | C | . | . | trans | -151.1 | 136.2 | 154.5 | -83.1 | -149 | 174.3 | 0 | 0 | 113.8 | N880 T888 Y889 V891 D892 | N880-M883 HydrophobicContact CB-CB 4.11Å; N880-M883 HydrophobicContact CB-CG 4.21Å; N880-M883 WeakPolarHBondContact OD1-CG 3.33Å; N880-M883 PolarHBondContact OD1-SD 2.85Å; M883-T888 HydrophobicContact CE-CG2 4.39Å; M883-T888 VanDerWaalsContact SD-CA 3.58Å; M883-T888 WeakPolarHBondContact SD-CB 3.46Å; M883-T888 HydrophobicContact SD-CG2 3.56Å; M883-T888 VanDerWaalsContact SD-CG2 3.56Å; M883-Y889 HydrophobicContact CE-CD1 3.8Å; M883-Y889 HydrophobicContact CE-CE1 4.06Å; M883-V891 VanDerWaalsContact N-N 3.12Å; M883-D892 PolarHBondContact N-OD1 3.06Å | ||
| 884 | S | 33.9 | Very low | 64 | Low | 46 Ų | 46 | 38.5 Ų | 38.5 | 32% | 0.322 | 21% | 0.212 | S | C | . | . | trans | -85.5 | 150 | 177.6 | -161.6 | 0 | 0 | 0 | 0 | 111 | I886 V891 | S884-I886 PolarHBondContact O-N 3.25Å; S884-V891 VanDerWaalsContact CB-CG2 3.45Å | ||
| 885 | P | 32.6 | Very low | 63.9 | Low | 129 Ų | 129 | 37.9 Ų | 37.9 | 84% | 0.838 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -9.3 | -178.3 | -22.8 | 34.3 | 0 | 0 | 0 | 115.5 | ||
| 886 | I | 33.7 | Very low | 63.9 | Low | 141 Ų | 141 | 38.2 Ų | 38.2 | 72% | 0.723 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -127.4 | 107.6 | 178.2 | -57.7 | 178.1 | 0 | 0 | 0 | 108.2 | S884 | S884-I886 PolarHBondContact O-N 3.25Š|
| 887 | L | 31.8 | Very low | 64.1 | Low | 125 Ų | 125 | 37.5 Ų | 37.5 | 65% | 0.654 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60 | 49.9 | 175.9 | -65.5 | 161.3 | 0 | 0 | 0 | 115.6 | Y889 | L887-Y889 PolarHBondContact O-N 3.35Š|
| 888 | T | 34.2 | Very low | 64.2 | Low | 28 Ų | 28 | 42.5 Ų | 42.5 | 17% | 0.172 | 23% | 0.23 | C | C | . | . | trans | 41.4 | 77 | 135.3 | 52 | 0 | 0 | 0 | 0 | 118.2 | T511 M883 | T511-T888 HydrophobicContact CG2-CG2 3.64Å; M883-T888 HydrophobicContact CE-CG2 4.39Å; M883-T888 VanDerWaalsContact SD-CA 3.58Å; M883-T888 WeakPolarHBondContact SD-CB 3.46Å; M883-T888 HydrophobicContact SD-CG2 3.56Å; M883-T888 VanDerWaalsContact SD-CG2 3.56Å | ||
| 889 | Y | 46.2 | Very low | 64.5 | Low | 22 Ų | 22 | 48.1 Ų | 48.1 | 9% | 0.086 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -170.6 | 143.7 | 140 | -73.1 | -56.4 | 0 | 0 | 0 | 110.6 | E531 K857 M883 L887 V891 | E531-Y889 WeakPolarHBondContact OE2-CE2 3.2Å; E531-Y889 VanDerWaalsContact OE2-CZ 3.28Å; E531-Y889 PolarHBondContact OE2-OH 2.92Å; K857-Y889 HydrophobicContact CB-CD2 4.25Å; K857-Y889 HydrophobicContact CD-CD2 3.95Å; K857-Y889 HydrophobicContact CD-CE2 4.46Å; K857-Y889 HydrophobicContact CG-CD2 3.85Å; M883-Y889 HydrophobicContact CE-CD1 3.8Å; M883-Y889 HydrophobicContact CE-CE1 4.06Å; L887-Y889 PolarHBondContact O-N 3.35Å; Y889-V891 PolarHBondContact O-N 3.09Å |
| 890 | Y | 52.8 | Low | 65 | Low | 32 Ų | 32 | 47.7 Ų | 47.7 | 13% | 0.125 | 25% | 0.253 | C | S | . | . | S | Bend | trans | 57.6 | 20.7 | 163.5 | -60 | -70 | 0 | 0 | 0 | 125.1 | R854 L855 K867 G882 V894 | R854-Y890 WeakPolarHBondContact O-CB 3.41Å; R854-Y890 WeakPolarHBondContact O-CD2 3.42Å; L855-Y890 WeakPolarHBondContact CD2-O 3.37Å; K867-Y890 WeakPolarHBondContact CB-OH 3.35Å; K867-Y890 HydrophobicContact CD-CE2 4.15Å; K867-Y890 WeakPolarHBondContact CD-OH 3.17Å; K867-Y890 WeakPolarHBondContact CE-OH 3.4Å; K867-Y890 WeakPolarHBondContact CG-OH 3.44Å; G882-Y890 VanDerWaalsContact C-C 3.46Å; G882-Y890 VanDerWaalsContact C-N 3.27Å; G882-Y890 VanDerWaalsContact CA-CA 3.43Å; G882-Y890 WeakPolarHBondContact O-CA 3.44Å; G882-Y890 PolarHBondContact O-N 3.38Å; Y890-V894 WeakPolarHBondContact O-CB 3.37Å; Y890-V894 VanDerWaalsContact O-CG2 3.24Å; Y890-V894 WeakPolarHBondContact O-CG2 3.45Å |
| 891 | V | 58.5 | Low | 66.2 | Low | 31 Ų | 31 | 48.8 Ų | 48.8 | 19% | 0.188 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -73.7 | -44.5 | 174.5 | 153.5 | 0 | 0 | 0 | 0 | 119.3 | L855 G882 M883 S884 Y889 E893 V894 A895 | L855-V891 HydrophobicContact CD2-CG2 4.19Å; G882-V891 VanDerWaalsContact CA-N 3.3Å; M883-V891 VanDerWaalsContact N-N 3.12Å; S884-V891 VanDerWaalsContact CB-CG2 3.45Å; Y889-V891 PolarHBondContact O-N 3.09Å; V891-E893 PolarHBondContact O-N 2.89Å; V891-V894 CarbonylContact O-C 3.48Å; V891-V894 VanDerWaalsContact O-C 3.28Å; V891-V894 WeakPolarHBondContact O-CA 3.27Å; V891-V894 VanDerWaalsContact O-CB 3.26Å; V891-V894 WeakPolarHBondContact O-CB 3.46Å; V891-V894 PolarHBondContact O-N 2.86Å; V891-A895 HydrophobicContact CG1-CB 3.98Å; V891-A895 PolarHBondContact O-N 3.37Å |
| 892 | D | 75.9 | Confident | 67.5 | Low | 59 Ų | 59 | 49.3 Ų | 49.3 | 32% | 0.316 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -47.4 | -59.6 | -169.6 | -57.3 | 42.5 | 0 | 0 | 0 | 116.5 | H878 N880 G882 M883 V894 A895 E896 | H878-D892 IonicContact NE2-OD2 2.69Å; N880-D892 WeakPolarHBondContact O-CB 3.17Å; N880-D892 VanDerWaalsContact O-OD1 3.09Å; G882-D892 WeakPolarHBondContact CA-OD1 3.42Å; M883-D892 PolarHBondContact N-OD1 3.06Å; D892-V894 VanDerWaalsContact C-N 3.27Å; D892-V894 PolarHBondContact O-N 3.34Å; D892-A895 PolarHBondContact O-N 3.42Å; D892-E896 PolarHBondContact O-N 3.22Å; D892-E896 VanDerWaalsContact O-N 3.12Å |
| 893 | E | 85.3 | Confident | 69.6 | Low | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.3 | -34.2 | 171.9 | -83.1 | -177.9 | -179.7 | 0 | 0 | 111.5 | T767 N770 M771 R854 R881 V891 E896 L897 | T767-E893 HydrophobicContact CG2-CB 4.41Å; T767-E893 HydrophobicContact CG2-CG 3.62Å; N770-E893 PolarHBondContact ND2-OE1 2.91Å; M771-E893 HydrophobicContact CE-CB 3.76Å; M771-E893 HydrophobicContact CE-CG 4.05Å; M771-E893 WeakPolarHBondContact CE-OE2 3.43Å; M771-E893 HydrophobicContact CG-CB 4.07Å; M771-E893 HydrophobicContact CG-CG 4.5Å; M771-E893 WeakPolarHBondContact CG-O 3.48Å; M771-E893 HydrophobicContact SD-CB 3.76Å; M771-E893 VanDerWaalsContact SD-O 3.36Å; R854-E893 IonicContact CZ-OE2 3.51Å; R854-E893 IonicContact NH1-OE2 3.29Å; R854-E893 PolarHBondContact NH1-OE2 2.88Å; R854-E893 IonicContact NH2-OE2 2.75Å; R854-E893 PolarHBondContact NH2-OE2 3.06Å; R881-E893 WeakPolarHBondContact CD-OE1 3.45Å; R881-E893 HydrophobicContact CG-CG 3.91Å; R881-E893 VanDerWaalsContact CG-OE1 3.3Å; R881-E893 WeakPolarHBondContact CG-OE1 3.01Å; R881-E893 WeakPolarHBondContact CG-OE2 3.33Å; R881-E893 IonicContact NH1-OE1 2.85Å; R881-E893 PolarHBondContact NH1-OE1 3.39Å; R881-E893 VanDerWaalsContact NH1-OE1 3.16Å; R881-E893 WeakPolarHBondContact O-CB 3.37Å; R881-E893 PolarHBondContact O-N 3.01Å; V891-E893 PolarHBondContact O-N 2.89Å; E893-E896 PolarHBondContact O-N 2.63Å; E893-L897 WeakPolarHBondContact O-CB 3.31Å; E893-L897 PolarHBondContact O-N 3.23Å |
| 894 | V | 85.6 | Confident | 71.9 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -68.2 | -32.2 | 173.9 | 167.7 | 0 | 0 | 0 | 0 | 113.5 | E851 R854 L855 Y890 V891 D892 E896 L897 K898 | E851-V894 HydrophobicContact CB-CG1 4.16Å; E851-V894 HydrophobicContact CG-CG1 3.67Å; R854-V894 HydrophobicContact CB-CG2 3.65Å; R854-V894 HydrophobicContact CG-CG2 4.44Å; L855-V894 HydrophobicContact CD2-CG2 4.17Å; L855-V894 HydrophobicContact CG-CG2 4.3Å; Y890-V894 WeakPolarHBondContact O-CB 3.37Å; Y890-V894 VanDerWaalsContact O-CG2 3.24Å; Y890-V894 WeakPolarHBondContact O-CG2 3.45Å; V891-V894 CarbonylContact O-C 3.48Å; V891-V894 VanDerWaalsContact O-C 3.28Å; V891-V894 WeakPolarHBondContact O-CA 3.27Å; V891-V894 VanDerWaalsContact O-CB 3.26Å; V891-V894 WeakPolarHBondContact O-CB 3.46Å; V891-V894 PolarHBondContact O-N 2.86Å; D892-V894 VanDerWaalsContact C-N 3.27Å; D892-V894 PolarHBondContact O-N 3.34Å; V894-E896 VanDerWaalsContact C-N 3.31Å; V894-L897 WeakPolarHBondContact O-CB 3.44Å; V894-L897 PolarHBondContact O-N 2.98Å; V894-K898 WeakPolarHBondContact O-CG 3.42Å; V894-K898 PolarHBondContact O-N 2.7Å |
| 895 | A | 86.9 | Confident | 74.9 | Confident | 35 Ų | 35 | 54.5 Ų | 54.5 | 29% | 0.289 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -70.9 | -33.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | V891 D892 K899 | V891-A895 HydrophobicContact CG1-CB 3.98Å; V891-A895 PolarHBondContact O-N 3.37Å; D892-A895 PolarHBondContact O-N 3.42Å; A895-K899 VanDerWaalsContact O-CE 3.29Å; A895-K899 WeakPolarHBondContact O-CE 3.45Å; A895-K899 WeakPolarHBondContact O-CG 3.27Å |
| 896 | E | 90.6 | Very high | 78 | Confident | 31 Ų | 31 | 49 Ų | 49 | 15% | 0.145 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -71.2 | -43 | 170.3 | -162.3 | 57.8 | -155.5 | 0 | 0 | 111.4 | T767 R768 D892 E893 V894 K898 K899 I900 | T767-E896 HydrophobicContact CG2-CB 4.07Å; T767-E896 HydrophobicContact CG2-CG 4.35Å; R768-E896 HydrophobicContact CB-CG 3.91Å; R768-E896 VanDerWaalsContact CD-OE1 3.3Å; R768-E896 WeakPolarHBondContact CD-OE1 3.48Å; R768-E896 HydrophobicContact CG-CG 4.05Å; R768-E896 IonicContact CZ-OE1 2.68Å; R768-E896 IonicContact NE-OE1 3.13Å; R768-E896 IonicContact NH1-OE1 3.89Å; R768-E896 PolarHBondContact NH1-OE1 3.2Å; D892-E896 PolarHBondContact O-N 3.22Å; D892-E896 VanDerWaalsContact O-N 3.12Å; E893-E896 PolarHBondContact O-N 2.63Å; V894-E896 VanDerWaalsContact C-N 3.31Å; E896-K898 VanDerWaalsContact C-N 3.3Å; E896-K898 PolarHBondContact O-N 3.19Å; E896-K899 WeakPolarHBondContact O-CB 3.42Å; E896-K899 PolarHBondContact O-N 2.96Å; E896-K899 IonicContact OE2-NZ 2.76Å; E896-K899 PolarHBondContact OE2-NZ 2.98Å; E896-I900 PolarHBondContact O-N 2.85Å |
| 897 | L | 93 | Very high | 81 | Confident | 2 Ų | 2 | 48.2 Ų | 48.2 | 1% | 0.01 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -54.1 | -43.4 | 173.3 | 176.6 | 62.7 | 0 | 0 | 0 | 112.4 | M771 L775 K847 L850 E851 E893 V894 K899 I900 | M771-L897 HydrophobicContact CB-CB 4.39Å; M771-L897 HydrophobicContact CG-CB 4.06Å; M771-L897 HydrophobicContact SD-CB 3.96Å; L775-L897 HydrophobicContact CB-CD1 4.09Å; L775-L897 HydrophobicContact CD1-CD1 4.28Å; L775-L897 HydrophobicContact CD2-CD1 3.98Å; L775-L897 HydrophobicContact CG-CD1 4.34Å; K847-L897 WeakPolarHBondContact CE-O 3.38Å; K847-L897 HydrophobicContact CG-CD1 4.24Å; L850-L897 HydrophobicContact CB-CD2 3.98Å; L850-L897 HydrophobicContact CD2-CD1 3.85Å; L850-L897 HydrophobicContact CD2-CD2 3.83Å; L850-L897 HydrophobicContact CD2-CG 4.5Å; L850-L897 HydrophobicContact CG-CD2 3.77Å; E851-L897 HydrophobicContact CB-CD2 4.37Å; E893-L897 WeakPolarHBondContact O-CB 3.31Å; E893-L897 PolarHBondContact O-N 3.23Å; V894-L897 WeakPolarHBondContact O-CB 3.44Å; V894-L897 PolarHBondContact O-N 2.98Å; L897-K899 PolarHBondContact O-N 3.49Å; L897-I900 PolarHBondContact O-N 3.07Å; L897-I900 VanDerWaalsContact O-N 3.14Å |
| 898 | K | 91.9 | Very high | 84.1 | Confident | 111 Ų | 111 | 42.5 Ų | 42.5 | 48% | 0.483 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -59.6 | -33.5 | 177.4 | -77.9 | 177.2 | -177.3 | -174.1 | 0 | 113.3 | K847 E851 V894 E896 | K847-K898 PolarHBondContact NZ-O 3.48Å; K847-K898 VanDerWaalsContact NZ-O 3.12Å; E851-K898 VanDerWaalsContact CD-NZ 3.32Å; E851-K898 WeakPolarHBondContact OE1-CE 3.49Å; E851-K898 IonicContact OE1-NZ 2.72Å; E851-K898 PolarHBondContact OE1-NZ 3.14Å; E851-K898 WeakPolarHBondContact OE2-CE 3.37Å; E851-K898 IonicContact OE2-NZ 3.81Å; E851-K898 PolarHBondContact OE2-NZ 3.45Å; V894-K898 WeakPolarHBondContact O-CG 3.42Å; V894-K898 PolarHBondContact O-N 2.7Å; E896-K898 VanDerWaalsContact C-N 3.3Å; E896-K898 PolarHBondContact O-N 3.19Å |
| 899 | K | 94.9 | Very high | 87 | Confident | 126 Ų | 126 | 41.2 Ų | 41.2 | 55% | 0.548 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -76.9 | -23.9 | 178.3 | -59.6 | 167.4 | -154.9 | 162.4 | 0 | 113.1 | A895 E896 L897 T901 | A895-K899 VanDerWaalsContact O-CE 3.29Å; A895-K899 WeakPolarHBondContact O-CE 3.45Å; A895-K899 WeakPolarHBondContact O-CG 3.27Å; E896-K899 WeakPolarHBondContact O-CB 3.42Å; E896-K899 PolarHBondContact O-N 2.96Å; E896-K899 IonicContact OE2-NZ 2.76Å; E896-K899 PolarHBondContact OE2-NZ 2.98Å; L897-K899 PolarHBondContact O-N 3.49Å; K899-T901 PolarHBondContact O-N 3.17Å |
| 900 | I | 96.4 | Very high | 89.4 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 22% | 0.221 | C | C | . | . | trans | -63.3 | 127.2 | -177.1 | -68.9 | 171.8 | 0 | 0 | 0 | 109.9 | M771 L772 L775 F843 K847 E896 L897 E904 | M771-I900 HydrophobicContact CB-CD1 3.51Å; L772-I900 HydrophobicContact CD2-CD1 3.86Å; L772-I900 HydrophobicContact CD2-CG1 4.17Å; L772-I900 HydrophobicContact CD2-CG2 3.76Å; L772-I900 HydrophobicContact CG-CD1 3.83Å; L772-I900 HydrophobicContact CG-CG1 4.5Å; L775-I900 HydrophobicContact CD2-CG2 3.98Å; F843-I900 HydrophobicContact CZ-CG2 4.46Å; K847-I900 PolarHBondContact NZ-O 2.9Å; E896-I900 PolarHBondContact O-N 2.85Å; L897-I900 PolarHBondContact O-N 3.07Å; L897-I900 VanDerWaalsContact O-N 3.14Å; I900-E904 WeakPolarHBondContact CA-OE2 3.46Å | ||
| 901 | T | 96.5 | Very high | 91.4 | Very high | 62 Ų | 62 | 45.1 Ų | 45.1 | 38% | 0.38 | 22% | 0.224 | S | C | . | . | trans | -97.2 | 164.3 | 172.7 | 77 | 0 | 0 | 0 | 0 | 111.6 | K899 D903 E904 L905 | K899-T901 PolarHBondContact O-N 3.17Å; T901-D903 VanDerWaalsContact C-N 3.28Å; T901-D903 PolarHBondContact O-N 3.04Å; T901-E904 PolarHBondContact N-OE2 2.84Å; T901-E904 VanDerWaalsContact N-OE2 3.11Å; T901-E904 PolarHBondContact O-N 3.13Å; T901-E904 WeakPolarHBondContact OG1-CG 3.49Å; T901-E904 PolarHBondContact OG1-N 2.79Å; T901-L905 PolarHBondContact O-N 3.48Å; T901-L905 VanDerWaalsContact O-N 3.1Å | ||
| 902 | K | 96.6 | Very high | 93.2 | Very high | 31 Ų | 31 | 44.7 Ų | 44.7 | 14% | 0.135 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60 | -39.4 | 175.8 | -165.7 | 177.6 | 70.7 | 150 | 0 | 112 | L835 E836 M838 F843 E904 L905 L906 | L835-K902 HydrophobicContact CD1-CG 4.2Å; L835-K902 WeakPolarHBondContact O-CD 3.35Å; E836-K902 PolarHBondContact O-NZ 3.13Å; M838-K902 HydrophobicContact CB-CD 4.45Å; M838-K902 PolarHBondContact O-NZ 3.4Å; F843-K902 HydrophobicContact CD1-CB 4.12Å; F843-K902 HydrophobicContact CD2-CB 4.12Å; F843-K902 HydrophobicContact CD2-CD 4.48Å; F843-K902 HydrophobicContact CD2-CG 3.95Å; F843-K902 HydrophobicContact CE1-CB 4.1Å; F843-K902 HydrophobicContact CE2-CB 4.11Å; F843-K902 HydrophobicContact CE2-CG 4.19Å; F843-K902 HydrophobicContact CG-CB 4.12Å; F843-K902 HydrophobicContact CG-CD 4.48Å; F843-K902 HydrophobicContact CG-CG 4.24Å; F843-K902 HydrophobicContact CZ-CB 4.11Å; K902-E904 PolarHBondContact O-N 2.95Å; K902-L905 PolarHBondContact O-N 2.78Å; K902-L906 HydrophobicContact CG-CD1 4.28Å; K902-L906 WeakPolarHBondContact O-CB 3.39Å; K902-L906 WeakPolarHBondContact O-CG 3.41Å; K902-L906 PolarHBondContact O-N 3.12Å |
| 903 | D | 96.3 | Very high | 94.1 | Very high | 117 Ų | 117 | 42 Ų | 42 | 63% | 0.626 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -66.1 | -37.1 | 178.8 | -65.3 | -27 | 0 | 0 | 0 | 112.4 | T901 L906 Q907 | T901-D903 VanDerWaalsContact C-N 3.28Å; T901-D903 PolarHBondContact O-N 3.04Å; D903-L906 PolarHBondContact O-N 3.47Å; D903-Q907 WeakPolarHBondContact O-CB 3.39Å; D903-Q907 PolarHBondContact O-N 2.91Å |
| 904 | E | 96.8 | Very high | 94.5 | Very high | 63 Ų | 63 | 42.6 Ų | 42.6 | 29% | 0.294 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -68.4 | -38.3 | 175.3 | -68.1 | 177.3 | 143 | 0 | 0 | 111.8 | R768 I900 T901 K902 Q907 F908 | R768-E904 IonicContact CZ-OE1 2.74Å; R768-E904 IonicContact CZ-OE2 3.83Å; R768-E904 IonicContact NH2-OE1 3.3Å; R768-E904 PolarHBondContact NH2-OE1 2.66Å; R768-E904 IonicContact NH2-OE2 2.69Å; R768-E904 PolarHBondContact NH2-OE2 3.42Å; I900-E904 WeakPolarHBondContact CA-OE2 3.46Å; T901-E904 PolarHBondContact N-OE2 2.84Å; T901-E904 VanDerWaalsContact N-OE2 3.11Å; T901-E904 PolarHBondContact O-N 3.13Å; T901-E904 WeakPolarHBondContact OG1-CG 3.49Å; T901-E904 PolarHBondContact OG1-N 2.79Å; K902-E904 PolarHBondContact O-N 2.95Å; E904-Q907 PolarHBondContact O-N 2.66Å; E904-F908 WeakPolarHBondContact O-CB 3.4Å; E904-F908 PolarHBondContact O-N 3.27Å |
| 905 | L | 97.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -66.6 | -42.8 | 173 | -169.5 | 66.4 | 0 | 0 | 0 | 111.5 | L772 L775 F776 I779 L835 F843 T901 K902 Q907 F908 V909 | L772-L905 HydrophobicContact CB-CD1 4.32Å; L772-L905 HydrophobicContact CD2-CB 4.47Å; L772-L905 HydrophobicContact CD2-CD1 3.93Å; L772-L905 WeakPolarHBondContact O-CD1 3.45Å; L775-L905 HydrophobicContact CD2-CD2 4.09Å; L775-L905 HydrophobicContact CG-CD2 4.01Å; F776-L905 HydrophobicContact CB-CD1 4.2Å; I779-L905 HydrophobicContact CD1-CD2 3.58Å; L835-L905 HydrophobicContact CD1-CD2 4.26Å; L835-L905 HydrophobicContact CD2-CD2 3.94Å; L835-L905 HydrophobicContact CD2-CG 4.11Å; F843-L905 HydrophobicContact CE2-CB 4.38Å; F843-L905 HydrophobicContact CE2-CD2 3.87Å; T901-L905 PolarHBondContact O-N 3.48Å; T901-L905 VanDerWaalsContact O-N 3.1Å; K902-L905 PolarHBondContact O-N 2.78Å; L905-Q907 VanDerWaalsContact C-N 3.32Å; L905-Q907 PolarHBondContact O-N 2.9Å; L905-F908 HydrophobicContact CD1-CD1 4.28Å; L905-F908 WeakPolarHBondContact O-CB 3.37Å; L905-F908 PolarHBondContact O-N 3.4Å; L905-V909 VanDerWaalsContact O-CG2 3.32Å; L905-V909 WeakPolarHBondContact O-CG2 3.39Å; L905-V909 PolarHBondContact O-N 2.87Å |
| 906 | L | 96.6 | Very high | 94.7 | Very high | 14 Ų | 14 | 48.8 Ų | 48.8 | 7% | 0.073 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.9 | -41.7 | 173.8 | -77.4 | 167.1 | 0 | 0 | 0 | 111.9 | L832 L835 E836 K902 D903 V909 K910 | L832-L906 HydrophobicContact CD1-CD2 3.82Å; L835-L906 HydrophobicContact CB-CD2 4.1Å; L835-L906 HydrophobicContact CD2-CD2 3.82Å; L835-L906 HydrophobicContact CD2-CG 4.18Å; L835-L906 HydrophobicContact CG-CD2 3.7Å; L835-L906 HydrophobicContact CG-CG 4.06Å; E836-L906 HydrophobicContact CB-CD2 4.46Å; E836-L906 HydrophobicContact CG-CD1 4.14Å; E836-L906 HydrophobicContact CG-CD2 3.52Å; E836-L906 HydrophobicContact CG-CG 4.49Å; K902-L906 HydrophobicContact CG-CD1 4.28Å; K902-L906 WeakPolarHBondContact O-CB 3.39Å; K902-L906 WeakPolarHBondContact O-CG 3.41Å; K902-L906 PolarHBondContact O-N 3.12Å; D903-L906 PolarHBondContact O-N 3.47Å; L906-V909 PolarHBondContact O-N 2.96Å; L906-K910 WeakPolarHBondContact O-CB 3.08Å; L906-K910 VanDerWaalsContact O-CG 3.24Å; L906-K910 WeakPolarHBondContact O-CG 3.49Å; L906-K910 PolarHBondContact O-N 3.35Å |
| 907 | Q | 96.5 | Very high | 94.8 | Very high | 123 Ų | 123 | 47.8 Ų | 47.8 | 58% | 0.575 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -62.8 | -43.7 | 174.7 | -173.6 | 177.5 | 15.1 | 0 | 0 | 111.5 | D903 E904 L905 K910 Q911 | D903-Q907 WeakPolarHBondContact O-CB 3.39Å; D903-Q907 PolarHBondContact O-N 2.91Å; E904-Q907 PolarHBondContact O-N 2.66Å; L905-Q907 VanDerWaalsContact C-N 3.32Å; L905-Q907 PolarHBondContact O-N 2.9Å; Q907-K910 PolarHBondContact O-N 3.37Å; Q907-Q911 VanDerWaalsContact O-CB 3.27Å; Q907-Q911 WeakPolarHBondContact O-CB 3.24Å; Q907-Q911 PolarHBondContact O-N 3.32Å |
| 908 | F | 96.9 | Very high | 94.7 | Very high | 6 Ų | 6 | 55.5 Ų | 55.5 | 3% | 0.026 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60 | -47.9 | 175.5 | 172.6 | -96.9 | 0 | 0 | 0 | 112.2 | V762 L772 L773 E904 L905 K910 Q911 F912 I913 | V762-F908 HydrophobicContact CG1-CE2 3.6Å; V762-F908 HydrophobicContact CG1-CZ 3.77Å; V762-F908 HydrophobicContact CG2-CZ 3.96Å; L772-F908 HydrophobicContact CB-CB 4.3Å; L772-F908 HydrophobicContact CB-CD1 3.89Å; L772-F908 HydrophobicContact CB-CD2 3.74Å; L772-F908 HydrophobicContact CB-CE1 4.08Å; L772-F908 HydrophobicContact CB-CE2 3.94Å; L772-F908 HydrophobicContact CB-CG 3.71Å; L772-F908 HydrophobicContact CB-CZ 4.11Å; L772-F908 HydrophobicContact CD1-CB 4.2Å; L772-F908 HydrophobicContact CD1-CD2 3.86Å; L772-F908 HydrophobicContact CD1-CG 4.18Å; L772-F908 HydrophobicContact CD2-CB 4.15Å; L772-F908 HydrophobicContact CD2-CG 4.47Å; L772-F908 HydrophobicContact CG-CB 4.46Å; L772-F908 HydrophobicContact CG-CD2 4.36Å; L772-F908 HydrophobicContact CG-CG 4.34Å; L773-F908 HydrophobicContact CB-CE1 4.39Å; L773-F908 HydrophobicContact CB-CZ 4.01Å; E904-F908 WeakPolarHBondContact O-CB 3.4Å; E904-F908 PolarHBondContact O-N 3.27Å; L905-F908 HydrophobicContact CD1-CD1 4.28Å; L905-F908 WeakPolarHBondContact O-CB 3.37Å; L905-F908 PolarHBondContact O-N 3.4Å; F908-K910 PolarHBondContact O-N 3.38Å; F908-Q911 PolarHBondContact O-N 2.81Å; F908-Q911 VanDerWaalsContact O-N 3.14Å; F908-F912 AromaticContact CD2-CD2 3.59Å; F908-F912 HydrophobicContact CD2-CD2 3.59Å; F908-F912 AromaticContact CD2-CE2 3.86Å; F908-F912 HydrophobicContact CD2-CE2 3.86Å; F908-F912 AromaticContact CE2-CD2 3.67Å; F908-F912 HydrophobicContact CE2-CD2 3.67Å; F908-F912 HydrophobicContact CE2-CE2 4.03Å; F908-F912 HydrophobicContact CG-CD2 4.31Å; F908-F912 HydrophobicContact CZ-CD2 4.44Å; F908-F912 WeakPolarHBondContact O-CD2 3.5Å; F908-F912 PolarHBondContact O-N 3.32Å; F908-I913 HydrophobicContact CD1-CD1 4.39Å; F908-I913 HydrophobicContact CE1-CD1 3.84Å |
| 909 | V | 96.2 | Very high | 94.8 | Very high | 1 Ų | 1 | 52.8 Ų | 52.8 | 1% | 0.006 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.9 | -44 | 177.4 | 176.3 | 0 | 0 | 0 | 0 | 110.7 | F776 L832 L835 L905 L906 Q911 I913 A914 | F776-V909 HydrophobicContact CD2-CG2 3.35Å; F776-V909 HydrophobicContact CE2-CB 4.49Å; F776-V909 HydrophobicContact CE2-CG1 4.12Å; F776-V909 HydrophobicContact CE2-CG2 3.46Å; F776-V909 VanDerWaalsContact CE2-CG2 3.46Å; F776-V909 HydrophobicContact CG-CG2 4.02Å; F776-V909 HydrophobicContact CZ-CG1 4.32Å; F776-V909 HydrophobicContact CZ-CG2 4.2Å; L832-V909 HydrophobicContact CD1-CB 4.45Å; L832-V909 HydrophobicContact CD1-CG1 3.9Å; L835-V909 HydrophobicContact CD2-CG2 4.32Å; L905-V909 VanDerWaalsContact O-CG2 3.32Å; L905-V909 WeakPolarHBondContact O-CG2 3.39Å; L905-V909 PolarHBondContact O-N 2.87Å; L906-V909 PolarHBondContact O-N 2.96Å; V909-Q911 VanDerWaalsContact C-N 3.27Å; V909-Q911 PolarHBondContact O-N 3.09Å; V909-I913 HydrophobicContact CG1-CB 4.09Å; V909-I913 HydrophobicContact CG1-CG2 4.22Å; V909-I913 HydrophobicContact CG2-CD1 4.42Å; V909-I913 WeakPolarHBondContact O-CA 3.48Å; V909-I913 PolarHBondContact O-N 2.85Å; V909-A914 PolarHBondContact O-N 3.1Å |
| 910 | K | 95.5 | Very high | 94.8 | Very high | 95 Ų | 95 | 47.2 Ų | 47.2 | 41% | 0.413 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -68.1 | -21.6 | 175.9 | -71 | 173.3 | -178.4 | -179 | 0 | 113.8 | L832 E836 L906 Q907 F908 A917 | L832-K910 HydrophobicContact CD1-CG 4.19Å; L832-K910 HydrophobicContact CD2-CG 4.44Å; E836-K910 WeakPolarHBondContact OE1-CE 3.43Å; E836-K910 IonicContact OE1-NZ 2.77Å; E836-K910 PolarHBondContact OE1-NZ 2.92Å; L906-K910 WeakPolarHBondContact O-CB 3.08Å; L906-K910 VanDerWaalsContact O-CG 3.24Å; L906-K910 WeakPolarHBondContact O-CG 3.49Å; L906-K910 PolarHBondContact O-N 3.35Å; Q907-K910 PolarHBondContact O-N 3.37Å; F908-K910 PolarHBondContact O-N 3.38Å; K910-A917 WeakPolarHBondContact O-CA 3.43Å; K910-A917 VanDerWaalsContact O-CB 3.27Å; K910-A917 WeakPolarHBondContact O-CB 3.49Å |
| 911 | Q | 95.5 | Very high | 94.8 | Very high | 41 Ų | 41 | 49.1 Ų | 49.1 | 19% | 0.192 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -84.5 | -40.5 | 177.5 | -177.8 | 173.5 | -11.6 | 0 | 0 | 112.7 | Q907 F908 V909 R918 E919 | Q907-Q911 VanDerWaalsContact O-CB 3.27Å; Q907-Q911 WeakPolarHBondContact O-CB 3.24Å; Q907-Q911 PolarHBondContact O-N 3.32Å; F908-Q911 PolarHBondContact O-N 2.81Å; F908-Q911 VanDerWaalsContact O-N 3.14Å; V909-Q911 VanDerWaalsContact C-N 3.27Å; V909-Q911 PolarHBondContact O-N 3.09Å; Q911-R918 HydrophobicContact CG-CG 4.43Å; Q911-E919 HydrophobicContact CG-CB 4.41Å; Q911-E919 WeakPolarHBondContact CG-OE1 3.3Å; Q911-E919 VanDerWaalsContact NE2-CD 3.26Å; Q911-E919 PolarHBondContact NE2-OE1 3.18Å; Q911-E919 PolarHBondContact NE2-OE2 3.02Å; Q911-E919 VanDerWaalsContact NE2-OE2 3.09Å; Q911-E919 WeakPolarHBondContact O-CB 3.45Å; Q911-E919 PolarHBondContact O-N 3.39Å |
| 912 | F | 95.7 | Very high | 94.8 | Very high | 22 Ų | 22 | 46.3 Ų | 46.3 | 10% | 0.096 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -119.3 | -27.6 | -169.5 | -61.7 | -72.6 | 0 | 0 | 0 | 116.3 | V762 F908 E919 | V762-F912 HydrophobicContact CG1-CD1 4.48Å; V762-F912 HydrophobicContact CG1-CD2 4.3Å; V762-F912 HydrophobicContact CG1-CG 4.27Å; V762-F912 HydrophobicContact CG2-CB 4.36Å; F908-F912 AromaticContact CD2-CD2 3.59Å; F908-F912 HydrophobicContact CD2-CD2 3.59Å; F908-F912 AromaticContact CD2-CE2 3.86Å; F908-F912 HydrophobicContact CD2-CE2 3.86Å; F908-F912 AromaticContact CE2-CD2 3.67Å; F908-F912 HydrophobicContact CE2-CD2 3.67Å; F908-F912 HydrophobicContact CE2-CE2 4.03Å; F908-F912 HydrophobicContact CG-CD2 4.31Å; F908-F912 HydrophobicContact CZ-CD2 4.44Å; F908-F912 WeakPolarHBondContact O-CD2 3.5Å; F908-F912 PolarHBondContact O-N 3.32Å; F912-E919 HydrophobicContact CD1-CB 3.86Å; F912-E919 HydrophobicContact CE1-CB 3.89Å; F912-E919 VanDerWaalsContact CE1-OE2 3.29Å; F912-E919 WeakPolarHBondContact CE1-OE2 3.35Å |
| 913 | I | 94.7 | Very high | 94.8 | Very high | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.8 | -48.1 | -163 | -65.8 | 174.1 | 0 | 0 | 0 | 112.7 | L760 F776 L807 L828 F908 V909 R920 | L760-I913 HydrophobicContact CD1-CB 4.36Å; L760-I913 HydrophobicContact CD1-CG2 3.93Å; F776-I913 HydrophobicContact CD1-CD1 3.62Å; F776-I913 HydrophobicContact CE1-CD1 3.82Å; F776-I913 HydrophobicContact CE1-CG2 3.97Å; F776-I913 HydrophobicContact CG-CD1 4.21Å; F776-I913 HydrophobicContact CZ-CG2 4.19Å; L807-I913 HydrophobicContact CD2-CD1 4.4Å; L807-I913 HydrophobicContact CD2-CG2 4.09Å; L828-I913 HydrophobicContact CD2-CG2 4.45Å; F908-I913 HydrophobicContact CD1-CD1 4.39Å; F908-I913 HydrophobicContact CE1-CD1 3.84Å; V909-I913 HydrophobicContact CG1-CB 4.09Å; V909-I913 HydrophobicContact CG1-CG2 4.22Å; V909-I913 HydrophobicContact CG2-CD1 4.42Å; V909-I913 WeakPolarHBondContact O-CA 3.48Å; V909-I913 PolarHBondContact O-N 2.85Å; I913-R920 PolarHBondContact O-NE 2.74Å; I913-R920 PolarHBondContact O-NH2 2.86Å; I913-R920 VanDerWaalsContact O-NH2 3.11Å |
| 914 | A | 93 | Very high | 94.8 | Very high | 14 Ų | 14 | 39.3 Ų | 39.3 | 12% | 0.116 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -54.1 | 154.1 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | L832 V909 H916 A917 R920 | L832-A914 HydrophobicContact CD2-CB 3.92Å; V909-A914 PolarHBondContact O-N 3.1Å; A914-H916 PolarHBondContact O-N 3.3Å; A914-H916 VanDerWaalsContact O-N 3.08Å; A914-A917 HydrophobicContact CB-CB 4.2Å; A914-A917 WeakPolarHBondContact O-CB 3.39Å; A914-A917 PolarHBondContact O-N 3.23Å; A914-R920 VanDerWaalsContact O-CD 3.31Å; A914-R920 WeakPolarHBondContact O-CD 2.86Å; A914-R920 PolarHBondContact O-NE 3.28Å |
| 915 | M | 89.7 | Confident | 94.9 | Very high | 18 Ų | 18 | 36.3 Ų | 36.3 | 9% | 0.089 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -37.7 | -170.5 | -159.1 | -176.9 | -53.7 | 0 | 0 | 113.7 | E825 R920 T944 D945 | E825-M915 HydrophobicContact CB-CE 4.26Å; M915-R920 WeakPolarHBondContact O-CD 3.3Å; M915-T944 HydrophobicContact CE-CG2 4.08Å; M915-T944 HydrophobicContact SD-CG2 4.36Å; M915-D945 HydrophobicContact CG-CB 4.22Å; M915-D945 HydrophobicContact SD-CB 4.25Å |
| 916 | H | 88.1 | Confident | 94.8 | Very high | 146 Ų | 146 | 38.1 Ų | 38.1 | 68% | 0.676 | 17% | 0.17 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -107.2 | 26.1 | 178.4 | -52 | -39.4 | 0 | 0 | 0 | 113.2 | A914 | A914-H916 PolarHBondContact O-N 3.3Å; A914-H916 VanDerWaalsContact O-N 3.08Å |
| 917 | A | 92.5 | Very high | 94.7 | Very high | 10 Ų | 10 | 37.4 Ų | 37.4 | 8% | 0.083 | 17% | 0.166 | C | C | . | . | trans | -65.7 | 134.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | K910 A914 E919 R920 | K910-A917 WeakPolarHBondContact O-CA 3.43Å; K910-A917 VanDerWaalsContact O-CB 3.27Å; K910-A917 WeakPolarHBondContact O-CB 3.49Å; A914-A917 HydrophobicContact CB-CB 4.2Å; A914-A917 WeakPolarHBondContact O-CB 3.39Å; A914-A917 PolarHBondContact O-N 3.23Å; A917-E919 VanDerWaalsContact C-N 3.25Å; A917-E919 PolarHBondContact O-N 2.76Å; A917-E919 VanDerWaalsContact O-N 3.16Å; A917-R920 HydrophobicContact CB-CB 4.1Å; A917-R920 VanDerWaalsContact O-CB 3.24Å; A917-R920 WeakPolarHBondContact O-CB 3.19Å; A917-R920 PolarHBondContact O-N 3.45Å; A917-R920 VanDerWaalsContact O-N 3.12Å | ||
| 918 | R | 90.8 | Very high | 94.6 | Very high | 164 Ų | 164 | 32.1 Ų | 32.1 | 62% | 0.619 | 14% | 0.141 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -23.2 | -169.9 | 67.5 | 167.9 | -161.5 | -140.2 | -5.4 | 115.2 | V738 Q911 | V738-R918 VanDerWaalsContact CG1-O 3.23Å; V738-R918 WeakPolarHBondContact CG1-O 3.27Å; Q911-R918 HydrophobicContact CG-CG 4.43Å |
| 919 | E | 94.6 | Very high | 94.4 | Very high | 55 Ų | 55 | 31.9 Ų | 31.9 | 26% | 0.257 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -117.1 | 20.8 | 179.3 | -74.9 | 160.6 | -113.7 | 0 | 0 | 111.4 | Q911 F912 A917 R921 | Q911-E919 HydrophobicContact CG-CB 4.41Å; Q911-E919 WeakPolarHBondContact CG-OE1 3.3Å; Q911-E919 VanDerWaalsContact NE2-CD 3.26Å; Q911-E919 PolarHBondContact NE2-OE1 3.18Å; Q911-E919 PolarHBondContact NE2-OE2 3.02Å; Q911-E919 VanDerWaalsContact NE2-OE2 3.09Å; Q911-E919 WeakPolarHBondContact O-CB 3.45Å; Q911-E919 PolarHBondContact O-N 3.39Å; F912-E919 HydrophobicContact CD1-CB 3.86Å; F912-E919 HydrophobicContact CE1-CB 3.89Å; F912-E919 VanDerWaalsContact CE1-OE2 3.29Å; F912-E919 WeakPolarHBondContact CE1-OE2 3.35Å; A917-E919 VanDerWaalsContact C-N 3.25Å; A917-E919 PolarHBondContact O-N 2.76Å; A917-E919 VanDerWaalsContact O-N 3.16Å; E919-R921 PolarHBondContact O-N 2.92Å |
| 920 | R | 95.2 | Very high | 93.9 | Very high | 9 Ų | 9 | 33.9 Ų | 33.9 | 3% | 0.034 | 15% | 0.153 | C | C | . | . | trans | -59.8 | 127.3 | 179.7 | -158.9 | 177.9 | -151.5 | -133.6 | -3.9 | 111.1 | V738 G739 L760 E825 I913 A914 M915 A917 D945 | V738-R920 WeakPolarHBondContact CA-O 3.22Å; G739-R920 PolarHBondContact N-O 2.68Å; L760-R920 HydrophobicContact CD2-CG 4.47Å; E825-R920 IonicContact OE1-CZ 3.05Å; E825-R920 IonicContact OE1-NH1 2.71Å; E825-R920 PolarHBondContact OE1-NH1 3.06Å; E825-R920 IonicContact OE1-NH2 3.73Å; E825-R920 PolarHBondContact OE1-NH2 3.28Å; E825-R920 IonicContact OE2-CZ 3.39Å; E825-R920 IonicContact OE2-NH1 2.68Å; E825-R920 PolarHBondContact OE2-NH1 2.81Å; E825-R920 IonicContact OE2-NH2 3.43Å; E825-R920 PolarHBondContact OE2-NH2 3.21Å; I913-R920 PolarHBondContact O-NE 2.74Å; I913-R920 PolarHBondContact O-NH2 2.86Å; I913-R920 VanDerWaalsContact O-NH2 3.11Å; A914-R920 VanDerWaalsContact O-CD 3.31Å; A914-R920 WeakPolarHBondContact O-CD 2.86Å; A914-R920 PolarHBondContact O-NE 3.28Å; M915-R920 WeakPolarHBondContact O-CD 3.3Å; A917-R920 HydrophobicContact CB-CB 4.1Å; A917-R920 VanDerWaalsContact O-CB 3.24Å; A917-R920 WeakPolarHBondContact O-CB 3.19Å; A917-R920 PolarHBondContact O-N 3.45Å; A917-R920 VanDerWaalsContact O-N 3.12Å; R920-D945 IonicContact NH1-OD2 3.71Å; R920-D945 PolarHBondContact NH1-OD2 3.1Å | ||
| 921 | R | 95.8 | Very high | 93.2 | Very high | 39 Ų | 39 | 34.3 Ų | 34.3 | 15% | 0.147 | 16% | 0.156 | C | C | . | . | trans | -131 | 97 | -179.7 | -72.5 | 177 | -159.7 | -91.8 | 1.7 | 108.9 | L736 V738 L760 Q761 E919 Y965 | L736-R921 HydrophobicContact CB-CB 4.05Å; L736-R921 WeakPolarHBondContact O-CD 3.28Å; L736-R921 WeakPolarHBondContact O-CG 3.47Å; L736-R921 PolarHBondContact O-NH1 2.8Å; V738-R921 HydrophobicContact CG2-CG 4.23Å; V738-R921 VanDerWaalsContact CG2-NH2 3.33Å; L760-R921 WeakPolarHBondContact CA-O 3.37Å; Q761-R921 HydrophobicContact CB-CB 3.94Å; Q761-R921 PolarHBondContact N-O 3.31Å; E919-R921 PolarHBondContact O-N 2.92Å; R921-Y965 WeakPolarHBondContact CD-OH 3.39Å | ||
| 922 | K | 96.3 | Very high | 92.4 | Very high | 4 Ų | 4 | 33 Ų | 33 | 2% | 0.017 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 129.6 | -167.2 | 179 | 176.8 | 168 | -173.6 | 0 | 112.1 | Q741 V742 L760 E821 E825 S924 D945 | Q741-K922 HydrophobicContact CB-CD 4.48Å; Q741-K922 HydrophobicContact CG-CD 4.23Å; V742-K922 PolarHBondContact N-O 3.23Å; L760-K922 HydrophobicContact CD2-CB 3.77Å; L760-K922 HydrophobicContact CD2-CD 4.38Å; L760-K922 HydrophobicContact CD2-CG 3.88Å; E821-K922 WeakPolarHBondContact OE1-CE 3.42Å; E821-K922 IonicContact OE1-NZ 3Å; E821-K922 PolarHBondContact OE1-NZ 3.15Å; E825-K922 WeakPolarHBondContact OE1-CE 3.38Å; E825-K922 IonicContact OE1-NZ 2.87Å; E825-K922 PolarHBondContact OE1-NZ 2.89Å; K922-S924 WeakPolarHBondContact CE-OG 3.26Å; K922-D945 IonicContact NZ-OD2 2.74Å |
| 923 | L | 96.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 127.6 | 166.4 | 169 | 65.3 | 0 | 0 | 0 | 109.7 | T651 L654 L655 L736 V742 L758 L759 V925 | T651-L923 HydrophobicContact CG2-CD2 4.22Å; L654-L923 HydrophobicContact CD1-CD1 4.07Å; L654-L923 HydrophobicContact CD1-CD2 4.22Å; L655-L923 HydrophobicContact CD1-CD2 3.94Å; L655-L923 HydrophobicContact CD2-CD2 4.12Å; L655-L923 HydrophobicContact CG-CD2 4Å; L736-L923 HydrophobicContact CD1-CB 3.62Å; L736-L923 HydrophobicContact CD2-CB 4.28Å; V742-L923 HydrophobicContact CB-CD1 4.13Å; V742-L923 HydrophobicContact CG1-CD1 3.73Å; V742-L923 CarbonylContact O-C 3.53Å; V742-L923 WeakPolarHBondContact O-CA 3.2Å; L758-L923 WeakPolarHBondContact CA-O 3.39Å; L759-L923 HydrophobicContact CB-CB 4.47Å; L759-L923 PolarHBondContact N-O 3.04Å; L759-L923 PolarHBondContact O-N 2.77Å; L923-V925 HydrophobicContact CD1-CG2 4.07Å; L923-V925 HydrophobicContact CD2-CG2 4.08Å; L923-V925 HydrophobicContact CG-CG2 3.98Å |
| 924 | S | 96.7 | Very high | 90.9 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 111.4 | 173.6 | -57.2 | 0 | 0 | 0 | 0 | 110.1 | V742 V743 F744 E757 E821 K922 | V742-S924 PolarHBondContact O-N 2.75Å; V743-S924 WeakPolarHBondContact CA-O 3.21Å; F744-S924 PolarHBondContact N-O 2.93Å; E757-S924 WeakPolarHBondContact O-CA 3.35Å; E821-S924 WeakPolarHBondContact OE1-CB 3.02Å; E821-S924 PolarHBondContact OE1-OG 2.8Å; E821-S924 WeakPolarHBondContact OE2-CB 3.37Å; E821-S924 PolarHBondContact OE2-OG 3.16Å; K922-S924 WeakPolarHBondContact CE-OG 3.26Å |
| 925 | V | 97.5 | Very high | 90 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 105.7 | 177.2 | 175.8 | 0 | 0 | 0 | 0 | 108.9 | T651 L654 F744 I756 E757 L923 | T651-V925 WeakPolarHBondContact OG1-CG2 3.28Å; L654-V925 HydrophobicContact CD1-CG2 3.89Å; F744-V925 HydrophobicContact CD1-CG1 4.25Å; I756-V925 CarbonylContact C-O 3.59Å; I756-V925 VanDerWaalsContact CA-O 3.29Å; I756-V925 WeakPolarHBondContact CA-O 3.46Å; E757-V925 HydrophobicContact CB-CB 4.4Å; E757-V925 PolarHBondContact N-O 2.86Å; E757-V925 PolarHBondContact O-N 2.79Å; L923-V925 HydrophobicContact CD1-CG2 4.07Å; L923-V925 HydrophobicContact CD2-CG2 4.08Å; L923-V925 HydrophobicContact CG-CG2 3.98Å |
| 926 | R | 96.1 | Very high | 89.1 | Confident | 38 Ų | 38 | 46.5 Ų | 46.5 | 14% | 0.143 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 115 | -173.7 | -60.7 | 177.5 | -176.5 | 162.2 | 0.4 | 110.7 | F744 E745 A746 I756 P817 E821 F928 | F744-R926 PolarHBondContact O-N 3.31Å; E745-R926 CarbonylContact C-O 3.53Å; E745-R926 VanDerWaalsContact CA-O 3.3Å; E745-R926 WeakPolarHBondContact CA-O 3.41Å; E745-R926 HydrophobicContact CG-CB 4.25Å; E745-R926 IonicContact OE1-NH1 3.99Å; A746-R926 PolarHBondContact N-O 3.49Å; I756-R926 HydrophobicContact CD1-CG 4.12Å; I756-R926 HydrophobicContact CG1-CG 4.33Å; P817-R926 HydrophobicContact CB-CB 3.61Å; P817-R926 HydrophobicContact CB-CG 3.71Å; P817-R926 HydrophobicContact CG-CB 4.22Å; E821-R926 IonicContact OE1-NH2 2.72Å; E821-R926 IonicContact OE2-CZ 3.25Å; E821-R926 IonicContact OE2-NE 2.83Å; E821-R926 PolarHBondContact OE2-NE 3.35Å; E821-R926 IonicContact OE2-NH2 2.82Å; E821-R926 PolarHBondContact OE2-NH2 3.22Å; R926-F928 HydrophobicContact CB-CD2 4.4Å; R926-F928 HydrophobicContact CB-CE2 3.77Å; R926-F928 HydrophobicContact CB-CZ 4.41Å |
| 927 | V | 95.2 | Very high | 87.9 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 107.7 | 176.3 | -176.7 | 0 | 0 | 0 | 0 | 108.2 | P643 H646 Y650 A746 N748 S754 A755 | P643-V927 HydrophobicContact CB-CG1 4.16Å; H646-V927 HydrophobicContact CB-CG1 4.09Å; H646-V927 HydrophobicContact CB-CG2 3.91Å; Y650-V927 HydrophobicContact CD2-CG2 4.44Å; A746-V927 HydrophobicContact CB-CG2 4.37Å; N748-V927 HydrophobicContact CB-CG1 3.85Å; S754-V927 CarbonylContact C-O 3.6Å; S754-V927 VanDerWaalsContact CA-O 3.3Å; S754-V927 WeakPolarHBondContact CA-O 3.32Å; S754-V927 VanDerWaalsContact CB-O 3.23Å; S754-V927 WeakPolarHBondContact CB-O 3.47Å; A755-V927 HydrophobicContact CB-CB 4.38Å; A755-V927 PolarHBondContact N-O 2.73Å; A755-V927 PolarHBondContact O-N 3.4Å |
| 928 | F | 94.6 | Very high | 86.2 | Confident | 11 Ų | 11 | 53.3 Ų | 53.3 | 5% | 0.048 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 140 | -179.8 | -66.8 | -99.7 | 0 | 0 | 0 | 111.3 | E745 A746 E747 N748 S754 P817 R926 K933 A936 | E745-F928 HydrophobicContact CB-CE2 4.29Å; E745-F928 HydrophobicContact CG-CE2 3.93Å; A746-F928 PolarHBondContact O-N 3.31Å; E747-F928 CarbonylContact C-O 3.53Å; E747-F928 VanDerWaalsContact CA-O 3.24Å; E747-F928 WeakPolarHBondContact CA-O 3.39Å; N748-F928 PolarHBondContact N-O 3.13Å; S754-F928 WeakPolarHBondContact OG-CA 3.44Å; P817-F928 HydrophobicContact CB-CE1 4.43Å; P817-F928 HydrophobicContact CB-CZ 4.23Å; P817-F928 HydrophobicContact CG-CD1 4.02Å; P817-F928 HydrophobicContact CG-CD2 4.35Å; P817-F928 HydrophobicContact CG-CE1 4.01Å; P817-F928 HydrophobicContact CG-CE2 4.32Å; P817-F928 HydrophobicContact CG-CG 4.2Å; P817-F928 HydrophobicContact CG-CZ 4.16Å; R926-F928 HydrophobicContact CB-CD2 4.4Å; R926-F928 HydrophobicContact CB-CE2 3.77Å; R926-F928 HydrophobicContact CB-CZ 4.41Å; F928-K933 HydrophobicContact CB-CB 3.88Å; F928-K933 HydrophobicContact CB-CD 4.43Å; F928-K933 HydrophobicContact CB-CG 4.24Å; F928-K933 HydrophobicContact CG-CB 4.47Å; F928-A936 HydrophobicContact CD1-CB 4.39Å; F928-A936 HydrophobicContact CE1-CB 3.88Å |
| 929 | S | 91.2 | Very high | 84.7 | Confident | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.014 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 154.2 | 159 | 69.4 | 0 | 0 | 0 | 0 | 111.3 | H751 A752 S754 E931 Q932 K933 | H751-S929 WeakPolarHBondContact O-CB 3.47Å; A752-S929 WeakPolarHBondContact O-CB 3.29Å; A752-S929 PolarHBondContact O-OG 3.42Å; S754-S929 PolarHBondContact OG-N 2.79Å; S929-E931 PolarHBondContact O-N 3.17Å; S929-Q932 PolarHBondContact O-N 3.38Å; S929-Q932 WeakPolarHBondContact OG-CG 3.25Å; S929-Q932 PolarHBondContact OG-N 2.93Å; S929-K933 WeakPolarHBondContact O-CB 3.38Å; S929-K933 PolarHBondContact O-N 3.24Å |
| 930 | T | 86.9 | Confident | 82.8 | Confident | 42 Ų | 42 | 62.4 Ų | 62.4 | 26% | 0.258 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -49.8 | -43.1 | 178.5 | -48.9 | 0 | 0 | 0 | 0 | 112.8 | N748 K749 K934 | N748-T930 PolarHBondContact O-N 3.04Å; K749-T930 WeakPolarHBondContact CA-OG1 3.18Å; T930-K934 WeakPolarHBondContact O-CG 3.01Å |
| 931 | E | 80.3 | Confident | 80.9 | Confident | 105 Ų | 105 | 66.9 Ų | 66.9 | 49% | 0.491 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -73.1 | -46.5 | -177.8 | -65.5 | -47 | 124.9 | 0 | 0 | 112.4 | S929 K933 K934 Q935 | S929-E931 PolarHBondContact O-N 3.17Å; E931-K933 VanDerWaalsContact C-N 3.29Å; E931-K933 PolarHBondContact O-N 2.84Å; E931-K934 WeakPolarHBondContact O-CB 3.36Å; E931-K934 PolarHBondContact O-N 3.49Å; E931-K934 IonicContact OE1-NZ 2.77Å; E931-K934 PolarHBondContact OE1-NZ 2.99Å; E931-K934 IonicContact OE2-NZ 3.81Å; E931-K934 PolarHBondContact OE2-NZ 3.21Å; E931-Q935 PolarHBondContact O-N 3.48Å |
| 932 | Q | 79 | Confident | 79.2 | Confident | 12 Ų | 12 | 69.1 Ų | 69.1 | 6% | 0.056 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -65.3 | -33.2 | 177.4 | -69.9 | -176.1 | 19.9 | 0 | 0 | 112.5 | S754 S813 D814 R815 S816 S929 K934 Q935 A936 | S754-Q932 PolarHBondContact OG-NE2 2.94Å; S754-Q932 PolarHBondContact OG-OE1 3.34Å; S813-Q932 PolarHBondContact O-NE2 2.78Å; D814-Q932 PolarHBondContact O-NE2 3.22Å; R815-Q932 VanDerWaalsContact C-OE1 3.3Å; R815-Q932 PolarHBondContact O-NE2 2.78Å; R815-Q932 PolarHBondContact O-OE1 3.37Å; S816-Q932 VanDerWaalsContact CA-OE1 3.28Å; S929-Q932 PolarHBondContact O-N 3.38Å; S929-Q932 WeakPolarHBondContact OG-CG 3.25Å; S929-Q932 PolarHBondContact OG-N 2.93Å; Q932-K934 PolarHBondContact O-N 3.18Å; Q932-Q935 PolarHBondContact O-N 3.04Å; Q932-A936 WeakPolarHBondContact O-CB 3.46Å; Q932-A936 PolarHBondContact O-N 3.32Å |
| 933 | K | 80.3 | Confident | 77.6 | Confident | 58 Ų | 58 | 73.7 Ų | 73.7 | 25% | 0.252 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -61.5 | -30.8 | 176.7 | -163.9 | 173.8 | -178.2 | 175.8 | 0 | 112.5 | E747 F928 S929 E931 R937 | E747-K933 HydrophobicContact CB-CD 4.02Å; E747-K933 VanDerWaalsContact CD-CD 3.42Å; E747-K933 HydrophobicContact CG-CD 3.89Å; E747-K933 WeakPolarHBondContact OE2-CD 3.15Å; E747-K933 WeakPolarHBondContact OE2-CE 3.29Å; E747-K933 IonicContact OE2-NZ 2.91Å; E747-K933 PolarHBondContact OE2-NZ 3.05Å; F928-K933 HydrophobicContact CB-CB 3.88Å; F928-K933 HydrophobicContact CB-CD 4.43Å; F928-K933 HydrophobicContact CB-CG 4.24Å; F928-K933 HydrophobicContact CG-CB 4.47Å; S929-K933 WeakPolarHBondContact O-CB 3.38Å; S929-K933 PolarHBondContact O-N 3.24Å; E931-K933 VanDerWaalsContact C-N 3.29Å; E931-K933 PolarHBondContact O-N 2.84Å; K933-R937 WeakPolarHBondContact O-CG 3.27Å |
| 934 | K | 77.5 | Confident | 76.2 | Confident | 115 Ų | 115 | 76.4 Ų | 76.4 | 50% | 0.5 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -69.1 | -46.9 | 170.7 | -60 | 166 | -167 | 168.7 | 0 | 110.9 | T930 E931 Q932 R937 | T930-K934 WeakPolarHBondContact O-CG 3.01Å; E931-K934 WeakPolarHBondContact O-CB 3.36Å; E931-K934 PolarHBondContact O-N 3.49Å; E931-K934 IonicContact OE1-NZ 2.77Å; E931-K934 PolarHBondContact OE1-NZ 2.99Å; E931-K934 IonicContact OE2-NZ 3.81Å; E931-K934 PolarHBondContact OE2-NZ 3.21Å; Q932-K934 PolarHBondContact O-N 3.18Å; K934-R937 PolarHBondContact O-N 2.57Å |
| 935 | Q | 74.4 | Confident | 75 | Confident | 129 Ų | 129 | 76.7 Ų | 76.7 | 60% | 0.603 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -67 | -41.7 | -177.7 | -62.2 | -178.9 | 15.4 | 0 | 0 | 113.2 | E931 Q932 R937 A938 K939 | E931-Q935 PolarHBondContact O-N 3.48Å; Q932-Q935 PolarHBondContact O-N 3.04Å; Q935-R937 PolarHBondContact O-N 2.93Å; Q935-A938 WeakPolarHBondContact O-CA 3.33Å; Q935-A938 WeakPolarHBondContact O-CB 3.14Å; Q935-A938 PolarHBondContact O-N 3.47Å; Q935-K939 PolarHBondContact O-N 3.46Å |
| 936 | A | 70.5 | Confident | 73.9 | Confident | 37 Ų | 37 | 81.5 Ų | 81.5 | 31% | 0.306 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -62.9 | -23 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | F928 Q932 A938 | F928-A936 HydrophobicContact CD1-CB 4.39Å; F928-A936 HydrophobicContact CE1-CB 3.88Å; Q932-A936 WeakPolarHBondContact O-CB 3.46Å; Q932-A936 PolarHBondContact O-N 3.32Å; A936-A938 VanDerWaalsContact C-N 3.3Å |
| 937 | R | 64.8 | Low | 73.1 | Confident | 212 Ų | 212 | 81 Ų | 81 | 80% | 0.8 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | -23 | 170.9 | -71.8 | 175.4 | 173.2 | -172 | -1.6 | 113.1 | K933 K934 Q935 | K933-R937 WeakPolarHBondContact O-CG 3.27Å; K934-R937 PolarHBondContact O-N 2.57Å; Q935-R937 PolarHBondContact O-N 2.93Å |
| 938 | A | 56.6 | Low | 72.6 | Confident | 88 Ų | 88 | 85.1 Ų | 85.1 | 73% | 0.727 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.2 | -27.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q935 A936 | Q935-A938 WeakPolarHBondContact O-CA 3.33Å; Q935-A938 WeakPolarHBondContact O-CB 3.14Å; Q935-A938 PolarHBondContact O-N 3.47Å; A936-A938 VanDerWaalsContact C-N 3.3Å |
| 939 | K | 57.7 | Low | 72.3 | Confident | 156 Ų | 156 | 88.7 Ų | 88.7 | 68% | 0.678 | 47% | 0.466 | S | S | * | . | trans | -112.7 | 108.2 | 176.9 | -70.8 | -176.3 | 177.3 | -179 | 0 | 111.4 | Q935 E941 | Q935-K939 PolarHBondContact O-N 3.46Å; K939-E941 PolarHBondContact O-N 3.07Å | ||
| 940 | R | 55.4 | Low | 72.4 | Confident | 254 Ų | 254 | 92 Ų | 92 | 96% | 0.958 | 48% | 0.481 | S | S | * | . | trans | -85.9 | 99.4 | 163.2 | -76.8 | -175.3 | 173.7 | -175.4 | -2.2 | 109 | ||||
| 941 | E | 56.3 | Low | 72.7 | Confident | 103 Ų | 103 | 94.9 Ų | 94.9 | 48% | 0.481 | 49% | 0.49 | S | S | . | . | P | Polyproline II helix | trans | -76.4 | 144.3 | 165.9 | -69.7 | 173.1 | -175.7 | 0 | 0 | 109.4 | K939 | K939-E941 PolarHBondContact O-N 3.07Š|
| 942 | A | 58.2 | Low | 73.5 | Confident | 85 Ų | 85 | 90.4 Ų | 90.4 | 70% | 0.702 | 47% | 0.471 | S | S | * | . | P | Polyproline II helix | trans | -75.5 | 131.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||
| 943 | P | 64.5 | Low | 74.1 | Confident | 100 Ų | 100 | 99.2 Ų | 99.2 | 65% | 0.649 | 51% | 0.509 | S | S | * | . | P | Polyproline II helix | trans | -72.5 | 138.6 | 177.4 | 30.9 | -34.2 | 0 | 0 | 0 | 110.7 | ||
| 944 | T | 66.3 | Low | 74.8 | Confident | 57 Ų | 57 | 100.6 Ų | 100.6 | 35% | 0.35 | 52% | 0.519 | S | S | . | . | S | Bend | trans | -75.9 | -37.2 | 175.8 | -52.1 | 0 | 0 | 0 | 0 | 111.8 | N822 L826 M915 P946 | N822-T944 PolarHBondContact ND2-OG1 3.05Å; N822-T944 WeakPolarHBondContact OD1-CB 3.27Å; N822-T944 PolarHBondContact OD1-OG1 3.44Å; L826-T944 HydrophobicContact CD2-CG2 4.24Å; M915-T944 HydrophobicContact CE-CG2 4.08Å; M915-T944 HydrophobicContact SD-CG2 4.36Å; T944-P946 VanDerWaalsContact O-CD 3.3Å; T944-P946 WeakPolarHBondContact O-CD 3.4Å |
| 945 | D | 71.7 | Confident | 75.6 | Confident | 6 Ų | 6 | 96.9 Ų | 96.9 | 3% | 0.032 | 50% | 0.504 | C | S | . | . | trans | -82 | 112.1 | 170.3 | -176.3 | -7.2 | 0 | 0 | 0 | 109.5 | Q741 M915 R920 K922 S947 | Q741-D945 VanDerWaalsContact CD-CG 3.47Å; Q741-D945 VanDerWaalsContact CD-OD2 3.25Å; Q741-D945 PolarHBondContact NE2-O 2.8Å; Q741-D945 PolarHBondContact OE1-OD2 2.62Å; M915-D945 HydrophobicContact CG-CB 4.22Å; M915-D945 HydrophobicContact SD-CB 4.25Å; R920-D945 IonicContact NH1-OD2 3.71Å; R920-D945 PolarHBondContact NH1-OD2 3.1Å; K922-D945 IonicContact NZ-OD2 2.74Å; D945-S947 PolarHBondContact O-N 3.21Å; D945-S947 WeakPolarHBondContact OD1-CB 3.29Å; D945-S947 PolarHBondContact OD1-N 2.91Å; D945-S947 PolarHBondContact OD1-OG 2.67Å | ||
| 946 | P | 74.4 | Confident | 76.5 | Confident | 102 Ų | 102 | 92.9 Ų | 92.9 | 66% | 0.662 | 50% | 0.497 | S | S | * | . | trans | -79.2 | -1.5 | -178.1 | 34.9 | -37.2 | 0 | 0 | 0 | 113.4 | T944 | T944-P946 VanDerWaalsContact O-CD 3.3Å; T944-P946 WeakPolarHBondContact O-CD 3.4Å | ||
| 947 | S | 79.4 | Confident | 77.6 | Confident | 28 Ų | 28 | 96.5 Ų | 96.5 | 20% | 0.196 | 51% | 0.508 | C | S | . | . | S | Bend | trans | -62.6 | 145.9 | -174.3 | -56.8 | 0 | 0 | 0 | 0 | 112.2 | G739 Q741 D945 V949 | G739-S947 WeakPolarHBondContact O-CB 3.48Å; Q741-S947 PolarHBondContact NE2-O 3.47Å; D945-S947 PolarHBondContact O-N 3.21Å; D945-S947 WeakPolarHBondContact OD1-CB 3.29Å; D945-S947 PolarHBondContact OD1-N 2.91Å; D945-S947 PolarHBondContact OD1-OG 2.67Å; S947-V949 PolarHBondContact O-N 2.74Å |
| 948 | P | 84.1 | Confident | 79 | Confident | 85 Ų | 85 | 87 Ų | 87 | 55% | 0.552 | 47% | 0.472 | S | S | * | . | trans | -54.1 | 128.5 | -177.3 | -27.1 | 35.3 | 0 | 0 | 0 | 113.5 | N740 Q741 | N740-P948 WeakPolarHBondContact CA-O 3.5Å; Q741-P948 PolarHBondContact N-O 2.69Å | ||
| 949 | V | 89.1 | Confident | 80.9 | Confident | 87 Ų | 87 | 84.5 Ų | 84.5 | 53% | 0.527 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 115.9 | -179.3 | -179.8 | 0 | 0 | 0 | 0 | 110.9 | Q741 V743 S947 | Q741-V949 HydrophobicContact CB-CG2 4.23Å; Q741-V949 CarbonylContact O-C 3.01Å; Q741-V949 WeakPolarHBondContact O-CA 3.28Å; V743-V949 HydrophobicContact CB-CG1 4.23Å; V743-V949 HydrophobicContact CG2-CG1 3.69Å; S947-V949 PolarHBondContact O-N 2.74Å |
| 950 | E | 92.8 | Very high | 82.6 | Confident | 70 Ų | 70 | 80.7 Ų | 80.7 | 33% | 0.327 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 109.1 | 170.8 | -171.7 | -174.2 | 149.2 | 0 | 0 | 109.6 | Q741 V742 V743 | Q741-E950 PolarHBondContact O-N 3.1Å; V742-E950 CarbonylContact C-O 3Å; V742-E950 WeakPolarHBondContact CA-O 3.36Å; V743-E950 PolarHBondContact N-O 3.24Å |
| 951 | K | 93.7 | Very high | 84.3 | Confident | 103 Ų | 103 | 77.5 Ų | 77.5 | 45% | 0.448 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 112.1 | -179.5 | -172.7 | 165.6 | -178.6 | 161.8 | 0 | 111.4 | V743 E745 K953 | V743-K951 CarbonylContact O-C 3.56Å; V743-K951 WeakPolarHBondContact O-CA 3.33Å; E745-K951 VanDerWaalsContact CD-CE 3.42Å; E745-K951 WeakPolarHBondContact OE1-CE 2.99Å; E745-K951 IonicContact OE1-NZ 2.88Å; E745-K951 PolarHBondContact OE1-NZ 3.12Å; E745-K951 WeakPolarHBondContact OE2-CE 3.09Å; E745-K951 IonicContact OE2-NZ 3.71Å; E745-K951 PolarHBondContact OE2-NZ 3.16Å; K951-K953 PolarHBondContact O-N 2.58Å |
| 952 | V | 95.9 | Very high | 86.1 | Confident | 12 Ų | 12 | 74 Ų | 74 | 7% | 0.073 | 42% | 0.416 | C | S | . | . | trans | -67.5 | 110.9 | 179.3 | -179.3 | 0 | 0 | 0 | 0 | 110 | L654 V742 V743 F744 F958 | L654-V952 HydrophobicContact CD2-CG1 3.97Å; V742-V952 HydrophobicContact CG1-CG2 3.5Å; V743-V952 PolarHBondContact O-N 3.13Å; F744-V952 HydrophobicContact CB-CB 4.39Å; F744-V952 HydrophobicContact CD2-CB 4.05Å; F744-V952 HydrophobicContact CD2-CG1 3.95Å; V952-F958 HydrophobicContact CG1-CB 3.82Å; V952-F958 HydrophobicContact CG1-CD1 4.4Å; V952-F958 HydrophobicContact CG1-CG 4.03Å; V952-F958 HydrophobicContact CG2-CB 4.35Å; V952-F958 HydrophobicContact CG2-CD1 4.27Å; V952-F958 HydrophobicContact CG2-CD2 3.6Å; V952-F958 HydrophobicContact CG2-CE2 3.86Å; V952-F958 HydrophobicContact CG2-CG 3.81Å; V952-F958 HydrophobicContact CG2-CZ 4.3Å | ||
| 953 | K | 93 | Very high | 87.9 | Confident | 197 Ų | 197 | 73.3 Ų | 73.3 | 86% | 0.857 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -95.2 | -32 | 175.3 | -64.8 | 176.8 | -174.1 | 170 | 0 | 113 | K951 | K951-K953 PolarHBondContact O-N 2.58Š|
| 954 | N | 94.5 | Very high | 89.4 | Confident | 86 Ų | 86 | 71.3 Ų | 71.3 | 46% | 0.46 | 39% | 0.388 | S | S | . | . | trans | -136.6 | 124.3 | 179.7 | -177.3 | -49.5 | 0 | 0 | 0 | 108.6 | G956 E957 F958 | N954-G956 WeakPolarHBondContact OD1-CA 3.16Å; N954-G956 PolarHBondContact OD1-N 2.91Å; N954-E957 HydrophobicContact CB-CB 3.9Å; N954-E957 PolarHBondContact OD1-N 3.04Å; N954-F958 WeakPolarHBondContact O-CB 3.37Å; N954-F958 PolarHBondContact O-N 3.11Å | ||
| 955 | I | 94.8 | Very high | 90.8 | Very high | 37 Ų | 37 | 69.2 Ų | 69.2 | 19% | 0.19 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -68.2 | -39.1 | -176.7 | -63.2 | -179.1 | 0 | 0 | 0 | 111.3 | L653 L654 F744 K959 | L653-I955 HydrophobicContact CD2-CD1 3.65Å; L653-I955 HydrophobicContact CG-CD1 4.18Å; L654-I955 HydrophobicContact CD2-CD1 4.37Å; L654-I955 HydrophobicContact CD2-CG1 3.93Å; L654-I955 HydrophobicContact CD2-CG2 4.22Å; F744-I955 HydrophobicContact CE2-CD1 3.94Å; F744-I955 HydrophobicContact CE2-CG1 3.95Å; F744-I955 HydrophobicContact CZ-CD1 4.12Å; I955-K959 HydrophobicContact CG2-CD 4.26Å; I955-K959 HydrophobicContact CG2-CG 4.46Å; I955-K959 WeakPolarHBondContact O-CB 3.19Å; I955-K959 VanDerWaalsContact O-CG 3.24Å; I955-K959 WeakPolarHBondContact O-CG 3.43Å; I955-K959 PolarHBondContact O-N 2.76Å |
| 956 | G | 92.7 | Very high | 91.8 | Very high | 45 Ų | 45 | 73.2 Ų | 73.2 | 46% | 0.464 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -67.2 | -42.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | N954 K959 A960 | N954-G956 WeakPolarHBondContact OD1-CA 3.16Å; N954-G956 PolarHBondContact OD1-N 2.91Å; G956-K959 PolarHBondContact O-N 2.91Å; G956-A960 WeakPolarHBondContact O-CB 3Å; G956-A960 PolarHBondContact O-N 3.39Å |
| 957 | E | 94.1 | Very high | 92.3 | Very high | 113 Ų | 113 | 72 Ų | 72 | 53% | 0.528 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -62.5 | -50.4 | 175.3 | -171.8 | -178.1 | -170.4 | 0 | 0 | 111.4 | N954 K959 A960 Y961 | N954-E957 HydrophobicContact CB-CB 3.9Å; N954-E957 PolarHBondContact OD1-N 3.04Å; E957-K959 VanDerWaalsContact C-N 3.29Å; E957-K959 PolarHBondContact O-N 3.27Å; E957-A960 PolarHBondContact O-N 3.31Å; E957-A960 VanDerWaalsContact O-N 3.1Å; E957-Y961 HydrophobicContact CG-CD2 4.32Å; E957-Y961 HydrophobicContact CG-CE2 3.83Å; E957-Y961 WeakPolarHBondContact O-CD2 3.48Å |
| 958 | F | 94.5 | Very high | 92.6 | Very high | 12 Ų | 12 | 71.4 Ų | 71.4 | 5% | 0.053 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -55.3 | -43.8 | 176.2 | 168.8 | -104.5 | 0 | 0 | 0 | 112.2 | L654 L736 V742 V952 N954 A960 L962 | L654-F958 HydrophobicContact CB-CE1 4.49Å; L654-F958 HydrophobicContact CD2-CD1 3.92Å; L654-F958 HydrophobicContact CD2-CE1 4.06Å; L736-F958 HydrophobicContact CD2-CZ 3.91Å; V742-F958 HydrophobicContact CB-CE2 4.46Å; V742-F958 HydrophobicContact CG1-CD2 4.43Å; V742-F958 HydrophobicContact CG1-CE2 3.49Å; V742-F958 VanDerWaalsContact CG1-CE2 3.49Å; V742-F958 HydrophobicContact CG1-CZ 3.6Å; V742-F958 HydrophobicContact CG2-CE2 4.07Å; V742-F958 HydrophobicContact CG2-CZ 4.4Å; V952-F958 HydrophobicContact CG1-CB 3.82Å; V952-F958 HydrophobicContact CG1-CD1 4.4Å; V952-F958 HydrophobicContact CG1-CG 4.03Å; V952-F958 HydrophobicContact CG2-CB 4.35Å; V952-F958 HydrophobicContact CG2-CD1 4.27Å; V952-F958 HydrophobicContact CG2-CD2 3.6Å; V952-F958 HydrophobicContact CG2-CE2 3.86Å; V952-F958 HydrophobicContact CG2-CG 3.81Å; V952-F958 HydrophobicContact CG2-CZ 4.3Å; N954-F958 WeakPolarHBondContact O-CB 3.37Å; N954-F958 PolarHBondContact O-N 3.11Å; F958-A960 PolarHBondContact O-N 2.65Å; F958-L962 HydrophobicContact CD1-CD1 4.45Å; F958-L962 HydrophobicContact CD2-CD1 4.21Å; F958-L962 HydrophobicContact CE1-CD1 3.85Å; F958-L962 HydrophobicContact CE2-CD1 3.57Å; F958-L962 HydrophobicContact CE2-CG 4.48Å; F958-L962 HydrophobicContact CZ-CD1 3.36Å |
| 959 | K | 94.9 | Very high | 92.8 | Very high | 37 Ų | 37 | 76.4 Ų | 76.4 | 16% | 0.161 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -65.1 | -36.3 | 177.1 | -74.9 | -176.5 | 176.2 | -167.5 | 0 | 113.7 | L653 L654 S656 L734 I955 G956 E957 Y961 L962 | L653-K959 WeakPolarHBondContact O-CE 3.31Å; L653-K959 PolarHBondContact O-NZ 2.88Å; L654-K959 VanDerWaalsContact O-CE 3.23Å; L654-K959 WeakPolarHBondContact O-CE 3.49Å; S656-K959 WeakPolarHBondContact O-CE 3.31Å; S656-K959 PolarHBondContact O-NZ 2.76Å; L734-K959 HydrophobicContact CD1-CG 4.39Å; L734-K959 HydrophobicContact CD2-CB 3.87Å; L734-K959 HydrophobicContact CD2-CG 3.62Å; I955-K959 HydrophobicContact CG2-CD 4.26Å; I955-K959 HydrophobicContact CG2-CG 4.46Å; I955-K959 WeakPolarHBondContact O-CB 3.19Å; I955-K959 VanDerWaalsContact O-CG 3.24Å; I955-K959 WeakPolarHBondContact O-CG 3.43Å; I955-K959 PolarHBondContact O-N 2.76Å; G956-K959 PolarHBondContact O-N 2.91Å; E957-K959 VanDerWaalsContact C-N 3.29Å; E957-K959 PolarHBondContact O-N 3.27Å; K959-Y961 PolarHBondContact O-N 3.21Å; K959-L962 PolarHBondContact O-N 3.04Å |
| 960 | A | 93.8 | Very high | 92.7 | Very high | 75 Ų | 75 | 75.5 Ų | 75.5 | 62% | 0.62 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -67 | -23.2 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | G956 E957 F958 | G956-A960 WeakPolarHBondContact O-CB 3Å; G956-A960 PolarHBondContact O-N 3.39Å; E957-A960 PolarHBondContact O-N 3.31Å; E957-A960 VanDerWaalsContact O-N 3.1Å; F958-A960 PolarHBondContact O-N 2.65Å |
| 961 | Y | 91.8 | Very high | 92.5 | Very high | 187 Ų | 187 | 77.2 Ų | 77.2 | 73% | 0.733 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.5 | 1.5 | -176 | -62 | -63.4 | 0 | 0 | 0 | 114.7 | E957 K959 | E957-Y961 HydrophobicContact CG-CD2 4.32Å; E957-Y961 HydrophobicContact CG-CE2 3.83Å; E957-Y961 WeakPolarHBondContact O-CD2 3.48Å; K959-Y961 PolarHBondContact O-N 3.21Å |
| 962 | L | 94.5 | Very high | 92.2 | Very high | 31 Ų | 31 | 75 Ų | 75 | 16% | 0.162 | 39% | 0.389 | C | S | . | . | S | Bend | trans | -102.1 | 144.3 | -179.6 | -71.2 | -176.8 | 0 | 0 | 0 | 113.1 | L734 F958 K959 | L734-L962 HydrophobicContact CD2-CB 4.01Å; L734-L962 HydrophobicContact CD2-CD1 4.08Å; F958-L962 HydrophobicContact CD1-CD1 4.45Å; F958-L962 HydrophobicContact CD2-CD1 4.21Å; F958-L962 HydrophobicContact CE1-CD1 3.85Å; F958-L962 HydrophobicContact CE2-CD1 3.57Å; F958-L962 HydrophobicContact CE2-CG 4.48Å; F958-L962 HydrophobicContact CZ-CD1 3.36Å; K959-L962 PolarHBondContact O-N 3.04Å |
| 963 | P | 95.8 | Very high | 91.8 | Very high | 70 Ų | 70 | 86.3 Ų | 86.3 | 46% | 0.455 | 43% | 0.43 | S | S | . | . | P | Polyproline II helix | trans | -67.2 | 157.4 | 170 | 25.6 | -28.2 | 0 | 0 | 0 | 111.4 | Q735 | Q735-P963 HydrophobicContact CB-CG 4.07Å; Q735-P963 HydrophobicContact CG-CG 4.23Å; Q735-P963 PolarHBondContact N-O 2.79Å |
| 964 | L | 95.4 | Very high | 91.5 | Very high | 58 Ų | 58 | 78.2 Ų | 78.2 | 30% | 0.304 | 40% | 0.397 | S | S | . | . | B | Isolated β-bridge | trans | -103.3 | 138.5 | 172.5 | -65.3 | 167.8 | 0 | 0 | 0 | 109.4 | E657 R732 L734 | E657-L964 HydrophobicContact CB-CD2 3.97Å; E657-L964 HydrophobicContact CG-CD1 3.92Å; E657-L964 HydrophobicContact CG-CD2 4.13Å; R732-L964 HydrophobicContact CB-CB 4.15Å; R732-L964 HydrophobicContact CB-CD2 4.3Å; L734-L964 HydrophobicContact CD1-CD2 3.85Å; L734-L964 HydrophobicContact CG-CD2 3.85Å |
| 965 | Y | 95.7 | Very high | 91.1 | Very high | 13 Ų | 13 | 76.5 Ų | 76.5 | 5% | 0.051 | 39% | 0.39 | C | S | . | . | P | Polyproline II helix | trans | -62.9 | 146.7 | 170.2 | -82.5 | -75.6 | 0 | 0 | 0 | 110.8 | R732 E733 Q735 V764 T804 R921 | R732-Y965 WeakPolarHBondContact CD-O 3.13Å; R732-Y965 WeakPolarHBondContact CG-O 3.48Å; E733-Y965 PolarHBondContact O-N 3.22Å; Q735-Y965 VanDerWaalsContact CA-CE2 3.49Å; Q735-Y965 HydrophobicContact CB-CD1 4.5Å; Q735-Y965 HydrophobicContact CB-CD2 3.65Å; Q735-Y965 HydrophobicContact CB-CE1 4.41Å; Q735-Y965 HydrophobicContact CB-CE2 3.53Å; Q735-Y965 HydrophobicContact CB-CG 4.15Å; Q735-Y965 HydrophobicContact CG-CD2 4.41Å; Q735-Y965 HydrophobicContact CG-CE1 4.23Å; Q735-Y965 HydrophobicContact CG-CE2 3.87Å; V764-Y965 HydrophobicContact CG2-CD1 3.72Å; V764-Y965 HydrophobicContact CG2-CE1 4.47Å; V764-Y965 HydrophobicContact CG2-CG 4.35Å; T804-Y965 HydrophobicContact CG2-CD1 4.5Å; T804-Y965 HydrophobicContact CG2-CD2 3.85Å; T804-Y965 HydrophobicContact CG2-CG 3.76Å; R921-Y965 WeakPolarHBondContact CD-OH 3.39Å |
| 966 | P | 93 | Very high | 90.5 | Very high | 89 Ų | 89 | 78.8 Ų | 78.8 | 58% | 0.578 | 41% | 0.408 | S | S | * | . | P | Polyproline II helix | trans | -67.7 | 153.7 | 165.9 | 30.7 | -32.5 | 0 | 0 | 0 | 109.8 | V764 | V764-P966 HydrophobicContact CG2-CG 4.08Š|
| 967 | R | 85.3 | Confident | 90.1 | Very high | 77 Ų | 77 | 77.4 Ų | 77.4 | 29% | 0.291 | 39% | 0.389 | S | S | . | . | P | Polyproline II helix | trans | -67.9 | 150.9 | 174 | -62.2 | -174.1 | 65.6 | -150.7 | -8.3 | 110.6 | R732 E875 | R732-R967 HydrophobicContact CG-CG 4.12Å; E875-R967 IonicContact OE1-NH2 3.26Å; E875-R967 IonicContact OE2-CZ 3.36Å; E875-R967 IonicContact OE2-NH1 2.68Å; E875-R967 PolarHBondContact OE2-NH1 2.59Å; E875-R967 IonicContact OE2-NH2 3.67Å; E875-R967 PolarHBondContact OE2-NH2 2.79Å |
| 968 | A | 86.1 | Confident | 89 | Confident | 16 Ų | 16 | 72.5 Ų | 72.5 | 13% | 0.132 | 37% | 0.37 | C | S | . | . | P | Polyproline II helix | trans | -55.5 | 142.2 | 164.8 | 0 | 0 | 0 | 0 | 0 | 110 | V764 Q876 | V764-A968 HydrophobicContact CG1-CB 4.3Å; Q876-A968 HydrophobicContact CG-CB 4.07Å |
| 969 | K | 86.4 | Confident | 87.5 | Confident | 190 Ų | 190 | 75.4 Ų | 75.4 | 83% | 0.826 | 39% | 0.385 | S | S | * | . | P | Polyproline II helix | trans | -79.8 | 139 | 176.5 | -71.1 | -174.9 | 178.1 | -178.4 | 0 | 109.7 | H971 | K969-H971 PolarHBondContact O-N 3.03Š|
| 970 | P | 88.1 | Confident | 85.5 | Confident | 68 Ų | 68 | 80.1 Ų | 80.1 | 44% | 0.442 | 41% | 0.411 | S | S | . | . | P | Polyproline II helix | trans | -51.1 | 135.7 | 165.6 | -28.2 | 36.1 | 0 | 0 | 0 | 111.6 | Y877 I972 | Y877-P970 HydrophobicContact CD2-CB 4.04Å; Y877-P970 HydrophobicContact CE2-CB 4.49Å; P970-I972 WeakPolarHBondContact CB-O 3.1Å |
| 971 | H | 87.6 | Confident | 83.2 | Confident | 105 Ų | 105 | 80.7 Ų | 80.7 | 49% | 0.486 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -69.5 | -41.1 | 177 | -176.7 | 86.2 | 0 | 0 | 0 | 111.5 | Q876 H878 K969 | Q876-H971 WeakPolarHBondContact O-CB 3.24Å; Q876-H971 PolarHBondContact O-N 3.05Å; H878-H971 HydrophobicContact CB-CB 3.75Å; H878-H971 AromaticContact CD2-CD2 3.59Å; H878-H971 AromaticContact CD2-CE1 3.43Å; H878-H971 PolarHBondContact CD2-CE1 2.87Å; H878-H971 VanDerWaalsContact CD2-CE1 3.43Å; H878-H971 AromaticContact CD2-CG 3.49Å; H878-H971 VanDerWaalsContact CD2-CG 3.49Å; H878-H971 AromaticContact CD2-ND1 3.38Å; H878-H971 PolarHBondContact CD2-ND1 2.84Å; H878-H971 AromaticContact CD2-NE2 3.57Å; H878-H971 AromaticContact CE1-CE1 3.67Å; H878-H971 AromaticContact CE1-ND1 3.55Å; H878-H971 AromaticContact CG-CG 3.62Å; H878-H971 AromaticContact CG-ND1 3.54Å; H878-H971 AromaticContact ND1-ND1 3.64Å; H878-H971 AromaticContact NE2-CE1 3.17Å; H878-H971 PolarHBondContact NE2-CE1 3.36Å; H878-H971 AromaticContact NE2-CG 4Å; H878-H971 AromaticContact NE2-ND1 3.4Å; H878-H971 PolarHBondContact NE2-ND1 2.72Å; H878-H971 AromaticContact NE2-NE2 3.65Å; K969-H971 PolarHBondContact O-N 3.03Å |
| 972 | I | 89 | Confident | 80.6 | Confident | 58 Ų | 58 | 75.8 Ų | 75.8 | 30% | 0.297 | 40% | 0.402 | S | S | . | . | S | Bend | trans | -106 | 153.4 | 172.7 | 57.4 | 175.5 | 0 | 0 | 0 | 111.3 | W525 F879 P970 V974 | W525-I972 HydrophobicContact CH2-CD1 3.73Å; W525-I972 HydrophobicContact CZ3-CD1 4.11Å; F879-I972 HydrophobicContact CE2-CD1 4.12Å; P970-I972 WeakPolarHBondContact CB-O 3.1Å; I972-V974 HydrophobicContact CD1-CG2 4.48Å; I972-V974 HydrophobicContact CG1-CG2 4.08Å; I972-V974 PolarHBondContact O-N 3.44Å |
| 973 | R | 86.2 | Confident | 77.8 | Confident | 249 Ų | 249 | 80.5 Ų | 80.5 | 94% | 0.94 | 44% | 0.437 | S | S | * | . | trans | -74.2 | 93.8 | 177 | -173.6 | -177.9 | -177.5 | -172.5 | -0.4 | 110.3 | ||||
| 974 | V | 86.6 | Confident | 74.7 | Confident | 27 Ų | 27 | 80.5 Ų | 80.5 | 16% | 0.164 | 45% | 0.45 | C | S | . | . | P | Polyproline II helix | trans | -86.1 | 135.8 | 168.9 | -173.3 | 0 | 0 | 0 | 0 | 109.3 | M515 W525 Y877 I972 | M515-V974 HydrophobicContact CE-CG1 3.93Å; W525-V974 HydrophobicContact CH2-CG2 4.27Å; W525-V974 HydrophobicContact CZ2-CG2 4.24Å; Y877-V974 HydrophobicContact CD1-CG2 4.09Å; Y877-V974 HydrophobicContact CD2-CG2 3.64Å; Y877-V974 HydrophobicContact CE1-CG2 4.17Å; Y877-V974 HydrophobicContact CE2-CB 4.25Å; Y877-V974 HydrophobicContact CE2-CG2 3.73Å; Y877-V974 HydrophobicContact CG-CG2 3.81Å; I972-V974 HydrophobicContact CD1-CG2 4.48Å; I972-V974 HydrophobicContact CG1-CG2 4.08Å; I972-V974 PolarHBondContact O-N 3.44Å |
| 975 | P | 86.4 | Confident | 71.5 | Confident | 50 Ų | 50 | 85.4 Ų | 85.4 | 33% | 0.325 | 47% | 0.473 | S | S | . | . | P | Polyproline II helix | trans | -57.3 | 157.9 | 172.9 | -23.9 | 34.5 | 0 | 0 | 0 | 112 | R523 I979 | R523-P975 PolarHBondContact NH2-O 2.94Å; P975-I979 HydrophobicContact CB-CD1 3.52Å |
| 976 | P | 82.1 | Confident | 68.3 | Low | 85 Ų | 85 | 91.8 Ų | 91.8 | 55% | 0.552 | 51% | 0.508 | S | S | * | . | P | Polyproline II helix | trans | -66.6 | 158.3 | 169 | 21.9 | -31.7 | 0 | 0 | 0 | 113.2 | R523 A725 I979 | R523-P976 PolarHBondContact NH2-O 3.2Å; A725-P976 HydrophobicContact CB-CB 4.47Å; P976-I979 HydrophobicContact CG-CD1 4Å; P976-I979 HydrophobicContact CG-CG1 3.79Å |
| 977 | I | 84.8 | Confident | 65.3 | Low | 15 Ų | 15 | 92.6 Ų | 92.6 | 8% | 0.077 | 52% | 0.523 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | 139.3 | 178.5 | -71 | 173 | 0 | 0 | 0 | 109.2 | R523 H689 A725 V728 | R523-I977 VanDerWaalsContact NH2-N 3.18Å; H689-I977 HydrophobicContact CB-CG2 3.74Å; A725-I977 VanDerWaalsContact CA-O 3.26Å; A725-I977 WeakPolarHBondContact CA-O 3.16Å; A725-I977 VanDerWaalsContact CB-O 3.24Å; A725-I977 WeakPolarHBondContact CB-O 3.35Å; A725-I977 PolarHBondContact N-O 3.09Å; V728-I977 HydrophobicContact CG1-CD1 4.33Å; V728-I977 HydrophobicContact CG2-CB 4.02Å; V728-I977 HydrophobicContact CG2-CD1 3.95Å; V728-I977 HydrophobicContact CG2-CG2 3.84Å |
| 978 | G | 71.1 | Confident | 62.7 | Low | 11 Ų | 11 | 96.3 Ų | 96.3 | 11% | 0.113 | 55% | 0.548 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 64.5 | 42.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | L723 L980 | L723-G978 VanDerWaalsContact O-CA 3.25Å; L723-G978 WeakPolarHBondContact O-CA 3.1Å; G978-L980 PolarHBondContact O-N 3.04Å |
| 979 | I | 63 | Low | 60.1 | Low | 73 Ų | 73 | 108.5 Ų | 108.5 | 37% | 0.374 | 60% | 0.602 | S | S | . | * | trans | -60.9 | 111.3 | 161.9 | -68.1 | 161.5 | 0 | 0 | 0 | 106.7 | D520 P975 P976 S981 | D520-I979 WeakPolarHBondContact CB-O 3.41Å; P975-I979 HydrophobicContact CB-CD1 3.52Å; P976-I979 HydrophobicContact CG-CD1 4Å; P976-I979 HydrophobicContact CG-CG1 3.79Å; I979-S981 PolarHBondContact O-N 3.24Å | ||
| 980 | L | 53 | Low | 58.8 | Low | 135 Ų | 135 | 104.4 Ų | 104.4 | 71% | 0.707 | 59% | 0.591 | S | S | * | * | trans | -58.7 | 110 | 157.9 | -65.4 | 169.2 | 0 | 0 | 0 | 106 | G978 P982 | G978-L980 PolarHBondContact O-N 3.04Å; L980-P982 VanDerWaalsContact O-N 3.09Å | ||
| 981 | S | 45.5 | Very low | 57.3 | Low | 87 Ų | 87 | 106.3 Ų | 106.3 | 61% | 0.608 | 60% | 0.599 | S | S | * | * | trans | -48.9 | 121.5 | 172.4 | -57.9 | 0 | 0 | 0 | 0 | 107.6 | I979 S983 | I979-S981 PolarHBondContact O-N 3.24Å; S981-S983 PolarHBondContact O-N 3.35Å | ||
| 982 | P | 38 | Very low | 55.6 | Low | 85 Ų | 85 | 106.4 Ų | 106.4 | 55% | 0.552 | 61% | 0.605 | S | S | * | * | trans | -63 | 108.6 | -175.7 | 24.5 | -32.5 | 0 | 0 | 0 | 107.9 | L980 G984 | L980-P982 VanDerWaalsContact O-N 3.09Å; P982-G984 VanDerWaalsContact C-N 3.34Å; P982-G984 PolarHBondContact O-N 3.06Å | ||
| 983 | S | 34.5 | Very low | 53.6 | Low | 129 Ų | 129 | 109.2 Ų | 109.2 | 90% | 0.902 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.8 | 93.7 | 178.8 | 53.6 | 0 | 0 | 0 | 0 | 108.8 | S981 | S981-S983 PolarHBondContact O-N 3.35Š|
| 984 | G | 30.8 | Very low | 51.6 | Low | 71 Ų | 71 | 100.5 Ų | 100.5 | 73% | 0.732 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 97.2 | 45.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | P982 | P982-G984 VanDerWaalsContact C-N 3.34Å; P982-G984 PolarHBondContact O-N 3.06Å |
| 985 | M | 27.6 | Very low | 49.2 | Very low | 160 Ų | 160 | 105.4 Ų | 105.4 | 79% | 0.788 | 63% | 0.633 | S | S | * | * | trans | -113.3 | 117.9 | 148.8 | -73.9 | -175.6 | 179.4 | 0 | 0 | 107.7 | ||||
| 986 | D | 30.3 | Very low | 46.6 | Very low | 147 Ų | 147 | 109.4 Ų | 109.4 | 79% | 0.786 | 66% | 0.655 | S | S | * | * | trans | -63.7 | 145.3 | -170.2 | -66.8 | -61.7 | 0 | 0 | 0 | 112.6 | D988 | D986-D988 VanDerWaalsContact C-N 3.28Å; D986-D988 PolarHBondContact O-N 3.45Å; D986-D988 VanDerWaalsContact O-N 3.13Å | ||
| 987 | A | 28.9 | Very low | 43.9 | Very low | 107 Ų | 107 | 111.2 Ų | 111.2 | 88% | 0.884 | 66% | 0.663 | S | S | * | * | trans | -83.1 | 76.7 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 988 | D | 29.9 | Very low | 40.4 | Very low | 154 Ų | 154 | 119.3 Ų | 119.3 | 82% | 0.824 | 71% | 0.712 | S | S | * | * | trans | -134.2 | 77.3 | 167.1 | -97.8 | -26.9 | 0 | 0 | 0 | 108.8 | D986 | D986-D988 VanDerWaalsContact C-N 3.28Å; D986-D988 PolarHBondContact O-N 3.45Å; D986-D988 VanDerWaalsContact O-N 3.13Å | ||
| 989 | E | 32.7 | Very low | 37.7 | Very low | 272 Ų | 272 | 129.1 Ų | 129.1 | 100% | 1.271 | 77% | 0.766 | S | S | * | * | trans | -155.5 | 0 | 157.9 | -126.4 | 179.5 | -155.5 | 0 | 0 | 111.1 |
Retrieved 989 of 989 residues in 315.3 ms
(Link to these results)