| 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 | 39.7 | Very low | 66.9 | Low | 156 Ų | 156 | 83.7 Ų | 83.7 | 77% | 0.768 | 53% | 0.531 | S | S | * | . | 0 | 124.4 | 0 | -173.7 | -178.9 | -173.7 | 0 | 0 | 107.4 | I3 I52 | M1-I3 HydrophobicContact CE-CD1 4.36Å; M1-I3 HydrophobicContact CE-CG1 4.02Å; M1-I3 HydrophobicContact CG-CG1 4.03Å; M1-I3 HydrophobicContact SD-CD1 4.26Å; M1-I3 HydrophobicContact SD-CG1 4.01Å; M1-I52 HydrophobicContact CB-CG2 3.57Å; M1-I52 HydrophobicContact CG-CG2 4.15Å; M1-I52 HydrophobicContact SD-CG2 3.63Å | |||
| 2 | K | 53.8 | Low | 68.4 | Low | 198 Ų | 198 | 81.2 Ų | 81.2 | 86% | 0.861 | 51% | 0.511 | S | S | * | . | trans | -99.5 | 105.7 | 169 | -170.9 | 175.9 | -178.6 | 178.7 | 0 | 106.1 | S4 | K2-S4 PolarHBondContact O-N 3.06Š| ||
| 3 | I | 60.8 | Low | 69.6 | Low | 65 Ų | 65 | 79.8 Ų | 79.8 | 33% | 0.333 | 50% | 0.504 | S | S | . | . | trans | -78.1 | 113.5 | 176.7 | -55.7 | -178.4 | 0 | 0 | 0 | 106.2 | M1 F5 L35 F37 | M1-I3 HydrophobicContact CE-CD1 4.36Å; M1-I3 HydrophobicContact CE-CG1 4.02Å; M1-I3 HydrophobicContact CG-CG1 4.03Å; M1-I3 HydrophobicContact SD-CD1 4.26Å; M1-I3 HydrophobicContact SD-CG1 4.01Å; I3-F5 HydrophobicContact CG2-CE2 3.93Å; I3-F5 HydrophobicContact CG2-CZ 4.01Å; I3-L35 HydrophobicContact CD1-CD1 3.78Å; I3-L35 HydrophobicContact CG2-CD1 4.26Å; I3-F37 HydrophobicContact CD1-CZ 4.32Å | ||
| 4 | S | 62.8 | Low | 70.6 | Confident | 101 Ų | 101 | 77 Ų | 77 | 71% | 0.706 | 48% | 0.482 | S | S | * | . | trans | -112.6 | 128.3 | -179.4 | 63.4 | 0 | 0 | 0 | 0 | 109.4 | K2 | K2-S4 PolarHBondContact O-N 3.06Š| ||
| 5 | F | 69.9 | Low | 71.4 | Confident | 37 Ų | 37 | 79.6 Ų | 79.6 | 16% | 0.162 | 49% | 0.489 | C | S | . | . | trans | -95.4 | 92.8 | 175.4 | -66.1 | -84.5 | 0 | 0 | 0 | 107.6 | I3 G7 S8 V10 V26 T28 S33 L35 H60 | I3-F5 HydrophobicContact CG2-CE2 3.93Å; I3-F5 HydrophobicContact CG2-CZ 4.01Å; F5-G7 PolarHBondContact O-N 3.37Å; F5-S8 WeakPolarHBondContact CB-O 3.46Å; F5-S8 PolarHBondContact O-N 2.83Å; F5-S8 VanDerWaalsContact O-N 3.1Å; F5-S8 VanDerWaalsContact O-O 3.07Å; F5-V10 HydrophobicContact CD2-CG2 3.52Å; F5-V10 HydrophobicContact CE2-CG2 3.99Å; F5-V10 HydrophobicContact CG-CG2 4.43Å; F5-V26 HydrophobicContact CE2-CB 4.38Å; F5-V26 HydrophobicContact CE2-CG1 3.86Å; F5-V26 HydrophobicContact CE2-CG2 4.3Å; F5-V26 HydrophobicContact CZ-CB 4.09Å; F5-V26 HydrophobicContact CZ-CG1 4.05Å; F5-V26 HydrophobicContact CZ-CG2 4Å; F5-T28 HydrophobicContact CD1-CG2 4.27Å; F5-T28 HydrophobicContact CG-CG2 4.33Å; F5-S33 VanDerWaalsContact CE1-CB 3.49Å; F5-S33 VanDerWaalsContact CE1-OG 3.32Å; F5-S33 WeakPolarHBondContact CE1-OG 3.44Å; F5-L35 HydrophobicContact CZ-CD1 4.27Å; F5-H60 AromaticContact CE1-NE2 3.91Å | ||
| 6 | G | 65.1 | Low | 71.9 | Confident | 79 Ų | 79 | 76.3 Ų | 76.3 | 81% | 0.814 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | 124.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | S8 | G6-S8 PolarHBondContact O-N 3.33Š|
| 7 | G | 69.3 | Low | 72.2 | Confident | 74 Ų | 74 | 79.8 Ų | 79.8 | 76% | 0.763 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.9 | 1.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | F5 H30 | F5-G7 PolarHBondContact O-N 3.37Å; G7-H30 PolarHBondContact O-CE1 3.4Å; G7-H30 PolarHBondContact O-ND1 3.01Å; G7-H30 VanDerWaalsContact O-ND1 3.17Å |
| 8 | S | 74.6 | Confident | 72.4 | Confident | 16 Ų | 16 | 77.6 Ų | 77.6 | 11% | 0.112 | 47% | 0.469 | C | S | . | . | trans | -130.8 | 118.6 | 179.8 | -164.6 | 0 | 0 | 0 | 0 | 112.1 | F5 G6 T28 S29 H30 | F5-S8 WeakPolarHBondContact CB-O 3.46Å; F5-S8 PolarHBondContact O-N 2.83Å; F5-S8 VanDerWaalsContact O-N 3.1Å; F5-S8 VanDerWaalsContact O-O 3.07Å; G6-S8 PolarHBondContact O-N 3.33Å; S8-T28 WeakPolarHBondContact OG-CB 3.48Å; S8-T28 PolarHBondContact OG-OG1 3.3Å; S8-S29 WeakPolarHBondContact CA-OG 3.44Å; S8-S29 PolarHBondContact OG-N 3.03Å; S8-S29 PolarHBondContact OG-OG 3.43Å; S8-H30 PolarHBondContact OG-N 2.88Å; S8-H30 VanDerWaalsContact OG-N 3.15Å; S8-H30 PolarHBondContact OG-ND1 3.22Å | ||
| 9 | A | 77.2 | Confident | 72.3 | Confident | 65 Ų | 65 | 79.7 Ų | 79.7 | 54% | 0.537 | 48% | 0.484 | S | S | . | . | trans | -68.7 | 138.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | T28 S29 | A9-T28 CarbonylContact O-C 3.58Å; A9-T28 WeakPolarHBondContact O-CA 3.4Å; A9-S29 PolarHBondContact N-OG 3.39Å; A9-S29 PolarHBondContact O-N 2.84Å | ||
| 10 | V | 80.6 | Confident | 72.4 | Confident | 81 Ų | 81 | 82.4 Ų | 82.4 | 49% | 0.491 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 123.5 | 172.8 | 176.8 | 0 | 0 | 0 | 0 | 108.8 | F5 V26 | F5-V10 HydrophobicContact CD2-CG2 3.52Å; F5-V10 HydrophobicContact CE2-CG2 3.99Å; F5-V10 HydrophobicContact CG-CG2 4.43Å; V10-V26 HydrophobicContact CB-CG1 4.38Å; V10-V26 HydrophobicContact CG1-CG1 3.63Å; V10-V26 HydrophobicContact CG2-CG1 4Å |
| 11 | V | 82.7 | Confident | 72.7 | Confident | 49 Ų | 49 | 80.2 Ų | 80.2 | 30% | 0.297 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | -48 | -179.9 | 179.5 | 0 | 0 | 0 | 0 | 110.3 | C27 I73 Y91 | V11-C27 HydrophobicContact CB-CB 4.06Å; V11-C27 PolarHBondContact N-O 3.27Å; V11-I73 HydrophobicContact CB-CG2 4.46Å; V11-I73 HydrophobicContact CG1-CG2 3.73Å; V11-I73 HydrophobicContact CG2-CG2 3.88Å; V11-Y91 HydrophobicContact CG2-CE1 4.45Å |
| 12 | N | 84.7 | Confident | 74.8 | Confident | 53 Ų | 53 | 74.1 Ų | 74.1 | 28% | 0.283 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 158.3 | 175.1 | -163.3 | -5 | 0 | 0 | 0 | 109.8 | V26 C27 G76 | N12-V26 CarbonylContact O-C 3.6Å; N12-V26 WeakPolarHBondContact O-CA 3.39Å; N12-C27 HydrophobicContact CB-CB 4.2Å; N12-C27 PolarHBondContact N-O 3.47Å; N12-C27 PolarHBondContact O-N 3.2Å; N12-G76 VanDerWaalsContact CB-O 3.23Å; N12-G76 WeakPolarHBondContact CB-O 3.4Å; N12-G76 PolarHBondContact ND2-O 2.85Å |
| 13 | C | 84.2 | Confident | 76.3 | Confident | 63 Ų | 63 | 64.9 Ų | 64.9 | 43% | 0.426 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 128 | 173.6 | -178 | 0 | 0 | 0 | 0 | 109.3 | L25 | C13-L25 CarbonylContact C-O 3.56Å; C13-L25 WeakPolarHBondContact CA-O 3.28Å |
| 14 | Q | 83.1 | Confident | 77.6 | Confident | 41 Ų | 41 | 62.6 Ų | 62.6 | 19% | 0.192 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 133.7 | 177.8 | -166.6 | 155.5 | -17.4 | 0 | 0 | 109.9 | L25 T77 A78 | Q14-L25 PolarHBondContact N-O 3.37Å; Q14-L25 PolarHBondContact O-N 2.65Å; Q14-T77 PolarHBondContact OE1-OG1 3.35Å; Q14-T77 VanDerWaalsContact OE1-OG1 3.12Å; Q14-A78 HydrophobicContact CB-CB 4.48Å; Q14-A78 WeakPolarHBondContact CB-O 3.37Å; Q14-A78 WeakPolarHBondContact CG-O 3.39Å; Q14-A78 PolarHBondContact NE2-O 2.89Å; Q14-A78 PolarHBondContact OE1-O 2.74Å |
| 15 | I | 83.1 | Confident | 78.8 | Confident | 116 Ų | 116 | 57.9 Ų | 57.9 | 60% | 0.595 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110 | 128.7 | -176.5 | -54.3 | 178.9 | 0 | 0 | 0 | 108.1 | I22 V23 C24 | I15-I22 HydrophobicContact CG2-CG2 3.88Å; I15-V23 WeakPolarHBondContact CA-O 3.3Å; I15-C24 HydrophobicContact CG1-CB 4.49Å |
| 16 | A | 78.8 | Confident | 79.8 | Confident | 27 Ų | 27 | 56.3 Ų | 56.3 | 22% | 0.223 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 137.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | V23 I80 | A16-V23 PolarHBondContact N-O 2.99Å; A16-V23 PolarHBondContact O-N 3.14Å; A16-I80 HydrophobicContact CB-CD1 3.56Å; A16-I80 HydrophobicContact CB-CG1 3.99Å |
| 17 | E | 77.4 | Confident | 81 | Confident | 136 Ų | 136 | 52.6 Ų | 52.6 | 64% | 0.636 | 32% | 0.319 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 124.6 | 175.8 | -170.8 | -176.5 | 158.7 | 0 | 0 | 108.7 | I22 H39 | E17-I22 HydrophobicContact CG-CG1 4.45Å; E17-H39 IonicContact OE1-CD2 2.77Å; E17-H39 IonicContact OE1-NE2 3.91Å; E17-H39 PolarHBondContact OE1-NE2 2.89Å; E17-H39 VanDerWaalsContact OE1-NE2 3.07Å |
| 18 | T | 74.8 | Confident | 82 | Confident | 39 Ų | 39 | 49 Ų | 49 | 24% | 0.239 | 28% | 0.283 | C | S | . | . | trans | -110.8 | 163.5 | 170.9 | 67.5 | 0 | 0 | 0 | 0 | 108.9 | E20 N21 V23 | T18-E20 PolarHBondContact O-N 3.46Å; T18-E20 VanDerWaalsContact O-N 3.08Å; T18-N21 WeakPolarHBondContact CA-O 3.46Å; T18-N21 PolarHBondContact N-O 3.12Å; T18-N21 PolarHBondContact O-N 3.33Å; T18-N21 WeakPolarHBondContact OG1-CA 3.41Å; T18-N21 WeakPolarHBondContact OG1-CB 3.4Å; T18-N21 PolarHBondContact OG1-N 3.16Å; T18-N21 PolarHBondContact OG1-O 3.13Å; T18-V23 HydrophobicContact CG2-CG2 4.17Å | ||
| 19 | P | 71.7 | Confident | 82.5 | Confident | 118 Ų | 118 | 48.9 Ų | 48.9 | 77% | 0.766 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -54.6 | -32.2 | -178.5 | -25.3 | 34 | 0 | 0 | 0 | 113.9 | ||
| 20 | E | 74.1 | Confident | 82.8 | Confident | 133 Ų | 133 | 49.9 Ų | 49.9 | 62% | 0.621 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -108.5 | -23.3 | -175.4 | -63.4 | -174.5 | 173.3 | 0 | 0 | 114.2 | T18 H39 | T18-E20 PolarHBondContact O-N 3.46Å; T18-E20 VanDerWaalsContact O-N 3.08Å; E20-H39 WeakPolarHBondContact O-CB 3.44Å; E20-H39 PolarHBondContact O-N 3.04Å |
| 21 | N | 79.4 | Confident | 83.2 | Confident | 37 Ų | 37 | 46 Ų | 46 | 20% | 0.198 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 151.6 | -172.8 | -61.7 | -64.9 | 0 | 0 | 0 | 113.2 | T18 V23 M36 F37 | T18-N21 WeakPolarHBondContact CA-O 3.46Å; T18-N21 PolarHBondContact N-O 3.12Å; T18-N21 PolarHBondContact O-N 3.33Å; T18-N21 WeakPolarHBondContact OG1-CA 3.41Å; T18-N21 WeakPolarHBondContact OG1-CB 3.4Å; T18-N21 PolarHBondContact OG1-N 3.16Å; T18-N21 PolarHBondContact OG1-O 3.13Å; N21-V23 HydrophobicContact CB-CG2 4.21Å; N21-M36 HydrophobicContact CB-CE 3.96Å; N21-M36 VanDerWaalsContact ND2-CE 3.3Å; N21-M36 WeakPolarHBondContact ND2-CE 3.27Å; N21-F37 CarbonylContact C-O 3.51Å; N21-F37 WeakPolarHBondContact CA-O 3.33Å; N21-F37 WeakPolarHBondContact CB-O 3.41Å |
| 22 | I | 83.3 | Confident | 83.5 | Confident | 28 Ų | 28 | 43.7 Ų | 43.7 | 14% | 0.144 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 120.4 | 161.1 | -66.8 | 168.5 | 0 | 0 | 0 | 107.2 | I15 E17 F37 P40 I51 | I15-I22 HydrophobicContact CG2-CG2 3.88Å; E17-I22 HydrophobicContact CG-CG1 4.45Å; I22-F37 PolarHBondContact N-O 2.8Å; I22-F37 PolarHBondContact O-N 3.48Å; I22-P40 HydrophobicContact CD1-CG 4.14Å; I22-I51 HydrophobicContact CD1-CD1 3.23Å; I22-I51 HydrophobicContact CD1-CG1 4.1Å |
| 23 | V | 84.3 | Confident | 83.6 | Confident | 4 Ų | 4 | 41.2 Ų | 41.2 | 2% | 0.024 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 117.5 | -173.6 | -172.4 | 0 | 0 | 0 | 0 | 109 | I15 A16 T18 N21 L25 Q34 L35 M36 I80 | I15-V23 WeakPolarHBondContact CA-O 3.3Å; A16-V23 PolarHBondContact N-O 2.99Å; A16-V23 PolarHBondContact O-N 3.14Å; T18-V23 HydrophobicContact CG2-CG2 4.17Å; N21-V23 HydrophobicContact CB-CG2 4.21Å; V23-L25 HydrophobicContact CG1-CD2 3.75Å; V23-L25 HydrophobicContact CG1-CG 4.26Å; V23-Q34 HydrophobicContact CG1-CG 3.92Å; V23-L35 CarbonylContact C-O 3.6Å; V23-L35 WeakPolarHBondContact CA-O 3.44Å; V23-M36 HydrophobicContact CG1-CG 4.09Å; V23-M36 HydrophobicContact CG2-CG 4.08Å; V23-I80 HydrophobicContact CB-CD1 3.83Å; V23-I80 HydrophobicContact CG1-CD1 3.91Å; V23-I80 HydrophobicContact CG2-CD1 4.14Å |
| 24 | C | 87.8 | Confident | 83.8 | Confident | 17 Ų | 17 | 38.8 Ų | 38.8 | 12% | 0.115 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 114.4 | 170.6 | -55.1 | 0 | 0 | 0 | 0 | 109.3 | I15 L35 F37 | I15-C24 HydrophobicContact CG1-CB 4.49Å; C24-L35 HydrophobicContact CB-CB 4.12Å; C24-L35 HydrophobicContact CB-CD1 4.46Å; C24-L35 PolarHBondContact N-O 2.86Å; C24-L35 PolarHBondContact O-N 3.34Å; C24-F37 HydrophobicContact CB-CE2 4.39Å |
| 25 | L | 89 | Confident | 83.9 | Confident | 2 Ų | 2 | 37.4 Ų | 37.4 | 1% | 0.01 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 117.2 | 175.4 | -58.3 | -179.2 | 0 | 0 | 0 | 109 | C13 Q14 V23 S33 Q34 A78 I80 L87 F89 | C13-L25 CarbonylContact C-O 3.56Å; C13-L25 WeakPolarHBondContact CA-O 3.28Å; Q14-L25 PolarHBondContact N-O 3.37Å; Q14-L25 PolarHBondContact O-N 2.65Å; V23-L25 HydrophobicContact CG1-CD2 3.75Å; V23-L25 HydrophobicContact CG1-CG 4.26Å; L25-S33 CarbonylContact C-O 3.6Å; L25-Q34 HydrophobicContact CD2-CB 4.1Å; L25-Q34 HydrophobicContact CD2-CG 4.08Å; L25-A78 HydrophobicContact CB-CB 3.64Å; L25-A78 HydrophobicContact CD1-CB 4.05Å; L25-I80 HydrophobicContact CD1-CD1 4.42Å; L25-I80 HydrophobicContact CD1-CG1 3.69Å; L25-I80 HydrophobicContact CG-CG1 4.49Å; L25-L87 HydrophobicContact CD1-CD2 4.45Å; L25-L87 HydrophobicContact CD2-CD1 4.1Å; L25-L87 HydrophobicContact CD2-CD2 4.01Å; L25-L87 HydrophobicContact CD2-CG 4.47Å; L25-F89 HydrophobicContact CB-CE1 3.87Å; L25-F89 HydrophobicContact CB-CZ 4.3Å; L25-F89 HydrophobicContact CD2-CE1 4.36Å; L25-F89 HydrophobicContact CD2-CZ 3.92Å |
| 26 | V | 90.3 | Very high | 83.9 | Confident | 5 Ų | 5 | 34 Ų | 34 | 3% | 0.03 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 115.3 | -176.5 | -169.7 | 0 | 0 | 0 | 0 | 109 | F5 V10 N12 T28 A32 S33 L35 | F5-V26 HydrophobicContact CE2-CB 4.38Å; F5-V26 HydrophobicContact CE2-CG1 3.86Å; F5-V26 HydrophobicContact CE2-CG2 4.3Å; F5-V26 HydrophobicContact CZ-CB 4.09Å; F5-V26 HydrophobicContact CZ-CG1 4.05Å; F5-V26 HydrophobicContact CZ-CG2 4Å; V10-V26 HydrophobicContact CB-CG1 4.38Å; V10-V26 HydrophobicContact CG1-CG1 3.63Å; V10-V26 HydrophobicContact CG2-CG1 4Å; N12-V26 CarbonylContact O-C 3.6Å; N12-V26 WeakPolarHBondContact O-CA 3.39Å; V26-T28 HydrophobicContact CG1-CG2 3.95Å; V26-A32 CarbonylContact O-C 3.53Å; V26-A32 WeakPolarHBondContact O-CA 3.45Å; V26-S33 PolarHBondContact N-O 3.33Å; V26-S33 PolarHBondContact O-N 2.9Å; V26-L35 HydrophobicContact CG2-CD1 4.18Å |
| 27 | C | 90 | Very high | 84.1 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 125.7 | 166.1 | -65.2 | 0 | 0 | 0 | 0 | 108.6 | V11 N12 T77 Y91 | V11-C27 HydrophobicContact CB-CB 4.06Å; V11-C27 PolarHBondContact N-O 3.27Å; N12-C27 HydrophobicContact CB-CB 4.2Å; N12-C27 PolarHBondContact N-O 3.47Å; N12-C27 PolarHBondContact O-N 3.2Å; C27-T77 PolarHBondContact SG-O 3.3Å; C27-Y91 VanDerWaalsContact CA-OH 3.23Å; C27-Y91 WeakPolarHBondContact CA-OH 3.3Å; C27-Y91 HydrophobicContact CB-CE1 3.74Å |
| 28 | T | 90.7 | Very high | 83.9 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 164.5 | 178.1 | 83 | 0 | 0 | 0 | 0 | 110.8 | F5 S8 A9 V26 H30 G31 F62 Y91 | F5-T28 HydrophobicContact CD1-CG2 4.27Å; F5-T28 HydrophobicContact CG-CG2 4.33Å; S8-T28 WeakPolarHBondContact OG-CB 3.48Å; S8-T28 PolarHBondContact OG-OG1 3.3Å; A9-T28 CarbonylContact O-C 3.58Å; A9-T28 WeakPolarHBondContact O-CA 3.4Å; V26-T28 HydrophobicContact CG1-CG2 3.95Å; T28-H30 PolarHBondContact O-N 3.35Å; T28-G31 CarbonylContact C-O 3.57Å; T28-G31 VanDerWaalsContact CA-O 3.29Å; T28-G31 WeakPolarHBondContact CA-O 3.5Å; T28-G31 WeakPolarHBondContact CB-O 3.31Å; T28-G31 PolarHBondContact N-O 2.91Å; T28-G31 PolarHBondContact O-N 3.02Å; T28-G31 PolarHBondContact OG1-N 3.41Å; T28-G31 PolarHBondContact OG1-O 3.48Å; T28-F62 HydrophobicContact CG2-CE2 4.32Å; T28-F62 WeakPolarHBondContact OG1-CE2 3.45Å; T28-Y91 PolarHBondContact N-OH 3.3Å; T28-Y91 WeakPolarHBondContact O-CE1 3.33Å; T28-Y91 PolarHBondContact O-OH 2.8Å |
| 29 | S | 85.3 | Confident | 83.9 | Confident | 12 Ų | 12 | 26 Ų | 26 | 8% | 0.084 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -25 | -178.8 | 58.3 | 0 | 0 | 0 | 0 | 114.6 | S8 A9 P70 I73 | S8-S29 WeakPolarHBondContact CA-OG 3.44Å; S8-S29 PolarHBondContact OG-N 3.03Å; S8-S29 PolarHBondContact OG-OG 3.43Å; A9-S29 PolarHBondContact N-OG 3.39Å; A9-S29 PolarHBondContact O-N 2.84Å; S29-P70 WeakPolarHBondContact O-CG 3.08Å; S29-I73 WeakPolarHBondContact O-CD1 3.49Å |
| 30 | H | 83.9 | Confident | 83.5 | Confident | 87 Ų | 87 | 23.5 Ų | 23.5 | 40% | 0.403 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110.1 | -2.1 | -177.1 | -68.6 | 89.4 | 0 | 0 | 0 | 113.9 | G7 S8 T28 F62 | G7-H30 PolarHBondContact O-CE1 3.4Å; G7-H30 PolarHBondContact O-ND1 3.01Å; G7-H30 VanDerWaalsContact O-ND1 3.17Å; S8-H30 PolarHBondContact OG-N 2.88Å; S8-H30 VanDerWaalsContact OG-N 3.15Å; S8-H30 PolarHBondContact OG-ND1 3.22Å; T28-H30 PolarHBondContact O-N 3.35Å; H30-F62 HydrophobicContact CB-CZ 4.37Å |
| 31 | G | 87.9 | Confident | 83 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 158.1 | -166.5 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | T28 H63 Y91 | T28-G31 CarbonylContact C-O 3.57Å; T28-G31 VanDerWaalsContact CA-O 3.29Å; T28-G31 WeakPolarHBondContact CA-O 3.5Å; T28-G31 WeakPolarHBondContact CB-O 3.31Å; T28-G31 PolarHBondContact N-O 2.91Å; T28-G31 PolarHBondContact O-N 3.02Å; T28-G31 PolarHBondContact OG1-N 3.41Å; T28-G31 PolarHBondContact OG1-O 3.48Å; G31-H63 CarbonylContact C-O 3.56Å; G31-H63 WeakPolarHBondContact CA-O 3.42Å; G31-Y91 PolarHBondContact O-OH 3.26Å |
| 32 | A | 89.1 | Confident | 82.2 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 133.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | V26 H63 I65 F89 | V26-A32 CarbonylContact O-C 3.53Å; V26-A32 WeakPolarHBondContact O-CA 3.45Å; A32-H63 HydrophobicContact CB-CB 4.5Å; A32-H63 PolarHBondContact N-O 3.22Å; A32-H63 PolarHBondContact O-N 2.93Å; A32-I65 HydrophobicContact CB-CD1 3.82Å; A32-I65 HydrophobicContact CB-CG1 4.49Å; A32-F89 HydrophobicContact CB-CB 4.18Å; A32-F89 HydrophobicContact CB-CD1 3.36Å; A32-F89 HydrophobicContact CB-CD2 3.57Å; A32-F89 HydrophobicContact CB-CE1 3.47Å; A32-F89 VanDerWaalsContact CB-CE1 3.47Å; A32-F89 HydrophobicContact CB-CE2 3.66Å; A32-F89 HydrophobicContact CB-CG 3.42Å; A32-F89 VanDerWaalsContact CB-CG 3.42Å; A32-F89 HydrophobicContact CB-CZ 3.61Å |
| 33 | S | 87.9 | Confident | 81.1 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 139.8 | 175.6 | 171 | 0 | 0 | 0 | 0 | 110.3 | F5 L25 V26 H60 T61 | F5-S33 VanDerWaalsContact CE1-CB 3.49Å; F5-S33 VanDerWaalsContact CE1-OG 3.32Å; F5-S33 WeakPolarHBondContact CE1-OG 3.44Å; L25-S33 CarbonylContact C-O 3.6Å; V26-S33 PolarHBondContact N-O 3.33Å; V26-S33 PolarHBondContact O-N 2.9Å; S33-H60 PolarHBondContact OG-CD2 2.83Å; S33-H60 PolarHBondContact OG-NE2 2.92Å; S33-T61 CarbonylContact C-O 3.59Å; S33-T61 WeakPolarHBondContact CA-O 3.48Å |
| 34 | Q | 87.3 | Confident | 79.5 | Confident | 13 Ų | 13 | 33.4 Ų | 33.4 | 6% | 0.061 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 126.3 | 168.9 | 170.1 | -169.8 | 27.3 | 0 | 0 | 108.2 | V23 L25 M36 H60 T61 L87 | V23-Q34 HydrophobicContact CG1-CG 3.92Å; L25-Q34 HydrophobicContact CD2-CB 4.1Å; L25-Q34 HydrophobicContact CD2-CG 4.08Å; Q34-M36 HydrophobicContact CG-CG 3.92Å; Q34-M36 PolarHBondContact NE2-SD 3.31Å; Q34-H60 WeakPolarHBondContact O-CA 3.34Å; Q34-T61 WeakPolarHBondContact CB-OG1 3.38Å; Q34-T61 PolarHBondContact N-O 3.46Å; Q34-T61 PolarHBondContact O-N 3.43Å; Q34-T61 PolarHBondContact OE1-OG1 2.87Å; Q34-L87 HydrophobicContact CB-CD1 4.27Å; Q34-L87 VanDerWaalsContact CD-CD1 3.41Å; Q34-L87 HydrophobicContact CG-CD1 4.14Å |
| 35 | L | 86.4 | Confident | 77.6 | Confident | 12 Ų | 12 | 36.8 Ų | 36.8 | 6% | 0.063 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 106.6 | 173.4 | -64.1 | 162.1 | 0 | 0 | 0 | 107.3 | I3 F5 V23 C24 V26 F37 V58 H59 H60 | I3-L35 HydrophobicContact CD1-CD1 3.78Å; I3-L35 HydrophobicContact CG2-CD1 4.26Å; F5-L35 HydrophobicContact CZ-CD1 4.27Å; V23-L35 CarbonylContact C-O 3.6Å; V23-L35 WeakPolarHBondContact CA-O 3.44Å; C24-L35 HydrophobicContact CB-CB 4.12Å; C24-L35 HydrophobicContact CB-CD1 4.46Å; C24-L35 PolarHBondContact N-O 2.86Å; C24-L35 PolarHBondContact O-N 3.34Å; V26-L35 HydrophobicContact CG2-CD1 4.18Å; L35-F37 HydrophobicContact CB-CE2 3.8Å; L35-F37 HydrophobicContact CB-CZ 4.28Å; L35-V58 HydrophobicContact CD2-CG1 4.27Å; L35-H59 CarbonylContact C-O 3.59Å; L35-H59 WeakPolarHBondContact CA-O 3.35Å; L35-H60 HydrophobicContact CD2-CB 3.8Å; L35-H60 WeakPolarHBondContact CD2-CD2 3.38Å |
| 36 | M | 82.8 | Confident | 75.5 | Confident | 44 Ų | 44 | 39.5 Ų | 39.5 | 22% | 0.217 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 126.8 | 174.3 | -62.4 | 179.1 | 56.7 | 0 | 0 | 109.6 | N21 V23 Q34 H59 | N21-M36 HydrophobicContact CB-CE 3.96Å; N21-M36 VanDerWaalsContact ND2-CE 3.3Å; N21-M36 WeakPolarHBondContact ND2-CE 3.27Å; V23-M36 HydrophobicContact CG1-CG 4.09Å; V23-M36 HydrophobicContact CG2-CG 4.08Å; Q34-M36 HydrophobicContact CG-CG 3.92Å; Q34-M36 PolarHBondContact NE2-SD 3.31Å; M36-H59 HydrophobicContact CB-CB 4.2Å; M36-H59 PolarHBondContact N-O 3.41Å; M36-H59 PolarHBondContact O-N 3.36Å |
| 37 | F | 82.2 | Confident | 73.3 | Confident | 5 Ų | 5 | 41.3 Ų | 41.3 | 2% | 0.022 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 139.9 | 171.3 | -55.4 | -97 | 0 | 0 | 0 | 109.3 | I3 N21 I22 C24 L35 H39 I51 I52 V58 | I3-F37 HydrophobicContact CD1-CZ 4.32Å; N21-F37 CarbonylContact C-O 3.51Å; N21-F37 WeakPolarHBondContact CA-O 3.33Å; N21-F37 WeakPolarHBondContact CB-O 3.41Å; I22-F37 PolarHBondContact N-O 2.8Å; I22-F37 PolarHBondContact O-N 3.48Å; C24-F37 HydrophobicContact CB-CE2 4.39Å; L35-F37 HydrophobicContact CB-CE2 3.8Å; L35-F37 HydrophobicContact CB-CZ 4.28Å; F37-H39 PolarHBondContact O-N 2.89Å; F37-I51 HydrophobicContact CB-CG2 3.07Å; F37-I51 HydrophobicContact CD1-CG2 3.71Å; F37-I51 WeakPolarHBondContact CD1-O 3.23Å; F37-I51 HydrophobicContact CD2-CG2 4.4Å; F37-I51 HydrophobicContact CG-CG2 3.51Å; F37-I52 HydrophobicContact CE1-CG1 4.45Å; F37-V58 HydrophobicContact CD1-CB 4.31Å; F37-V58 HydrophobicContact CD1-CG1 3.97Å; F37-V58 HydrophobicContact CD1-CG2 3.57Å; F37-V58 HydrophobicContact CE1-CB 4.18Å; F37-V58 HydrophobicContact CE1-CG1 3.61Å; F37-V58 HydrophobicContact CE1-CG2 3.47Å; F37-V58 VanDerWaalsContact CE1-CG2 3.47Å; F37-V58 HydrophobicContact CZ-CG1 3.92Å |
| 38 | P | 73.2 | Confident | 71.3 | Confident | 20 Ų | 20 | 47 Ų | 47 | 13% | 0.13 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61 | 138.6 | 175.3 | 20.8 | -27.9 | 0 | 0 | 0 | 110.2 | I43 N57 | P38-I43 HydrophobicContact CB-CD1 4.11Å; P38-I43 HydrophobicContact CB-CG1 3.69Å; P38-I43 HydrophobicContact CG-CD1 3.77Å; P38-I43 HydrophobicContact CG-CG1 3.75Å; P38-I43 WeakPolarHBondContact O-CD1 3.22Å; P38-N57 WeakPolarHBondContact CD-O 3.26Å; P38-N57 HydrophobicContact CG-CB 3.74Å |
| 39 | H | 74.5 | Confident | 69.2 | Low | 10 Ų | 10 | 51.9 Ų | 51.9 | 5% | 0.046 | 28% | 0.284 | C | S | . | . | trans | -64.3 | 140.6 | -178.8 | -175.5 | -85.7 | 0 | 0 | 0 | 109.3 | E17 E20 F37 R41 V42 I43 | E17-H39 IonicContact OE1-CD2 2.77Å; E17-H39 IonicContact OE1-NE2 3.91Å; E17-H39 PolarHBondContact OE1-NE2 2.89Å; E17-H39 VanDerWaalsContact OE1-NE2 3.07Å; E20-H39 WeakPolarHBondContact O-CB 3.44Å; E20-H39 PolarHBondContact O-N 3.04Å; F37-H39 PolarHBondContact O-N 2.89Å; H39-R41 VanDerWaalsContact CE1-CD 3.49Å; H39-R41 WeakPolarHBondContact CE1-CD 3.31Å; H39-R41 VanDerWaalsContact CE1-CG 3.43Å; H39-R41 WeakPolarHBondContact CE1-CG 3.32Å; H39-R41 VanDerWaalsContact ND1-CB 3.32Å; H39-R41 WeakPolarHBondContact ND1-CB 3.5Å; H39-R41 PolarHBondContact ND1-N 3.3Å; H39-R41 PolarHBondContact O-N 3.37Å; H39-V42 HydrophobicContact CB-CG2 4.24Å; H39-V42 WeakPolarHBondContact O-CA 3.46Å; H39-V42 WeakPolarHBondContact O-CB 3.15Å; H39-V42 PolarHBondContact O-N 3.46Å; H39-I43 PolarHBondContact O-N 2.86Å; H39-I43 VanDerWaalsContact O-N 3.16Å | ||
| 40 | P | 64.3 | Low | 67.7 | Low | 65 Ų | 65 | 54.5 Ų | 54.5 | 42% | 0.422 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.6 | -28.6 | -179.2 | -28.5 | 33.2 | 0 | 0 | 0 | 114.6 | I22 I51 | I22-P40 HydrophobicContact CD1-CG 4.14Å; P40-I51 HydrophobicContact CG-CD1 3.67Å; P40-I51 HydrophobicContact CG-CG1 3.73Å |
| 41 | R | 64.2 | Low | 66.4 | Low | 182 Ų | 182 | 52.5 Ų | 52.5 | 69% | 0.687 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -28.2 | 174.6 | -67.5 | 172.8 | -169.2 | 158.5 | 11.4 | 114 | H39 | H39-R41 VanDerWaalsContact CE1-CD 3.49Å; H39-R41 WeakPolarHBondContact CE1-CD 3.31Å; H39-R41 VanDerWaalsContact CE1-CG 3.43Å; H39-R41 WeakPolarHBondContact CE1-CG 3.32Å; H39-R41 VanDerWaalsContact ND1-CB 3.32Å; H39-R41 WeakPolarHBondContact ND1-CB 3.5Å; H39-R41 PolarHBondContact ND1-N 3.3Å; H39-R41 PolarHBondContact O-N 3.37Å |
| 42 | V | 61.7 | Low | 64.8 | Low | 86 Ų | 86 | 56.1 Ų | 56.1 | 52% | 0.521 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -32.2 | -179.2 | -178.8 | 0 | 0 | 0 | 0 | 110.8 | H39 A44 | H39-V42 HydrophobicContact CB-CG2 4.24Å; H39-V42 WeakPolarHBondContact O-CA 3.46Å; H39-V42 WeakPolarHBondContact O-CB 3.15Å; H39-V42 PolarHBondContact O-N 3.46Å; V42-A44 PolarHBondContact O-N 3.44Å |
| 43 | I | 60.4 | Low | 63.1 | Low | 40 Ų | 40 | 58.1 Ų | 58.1 | 21% | 0.205 | 33% | 0.333 | C | S | . | . | trans | -70.8 | 75.5 | 170.7 | -48.6 | 171.2 | 0 | 0 | 0 | 107.8 | P38 H39 T45 | P38-I43 HydrophobicContact CB-CD1 4.11Å; P38-I43 HydrophobicContact CB-CG1 3.69Å; P38-I43 HydrophobicContact CG-CD1 3.77Å; P38-I43 HydrophobicContact CG-CG1 3.75Å; P38-I43 WeakPolarHBondContact O-CD1 3.22Å; H39-I43 PolarHBondContact O-N 2.86Å; H39-I43 VanDerWaalsContact O-N 3.16Å; I43-T45 HydrophobicContact CG2-CG2 4.43Å; I43-T45 VanDerWaalsContact CG2-OG1 3.25Å; I43-T45 WeakPolarHBondContact CG2-OG1 3.25Å; I43-T45 PolarHBondContact O-N 3.26Å | ||
| 44 | A | 50.6 | Low | 61.4 | Low | 102 Ų | 102 | 59.4 Ų | 59.4 | 84% | 0.843 | 34% | 0.342 | S | S | * | . | trans | -69.7 | 30.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.8 | V42 | V42-A44 PolarHBondContact O-N 3.44Š| ||
| 45 | T | 47.1 | Very low | 59.6 | Low | 87 Ų | 87 | 69.8 Ų | 69.8 | 53% | 0.534 | 38% | 0.381 | S | S | . | . | trans | -95.8 | 125.2 | 170.8 | 63.2 | 0 | 0 | 0 | 0 | 107.9 | I43 V47 | I43-T45 HydrophobicContact CG2-CG2 4.43Å; I43-T45 VanDerWaalsContact CG2-OG1 3.25Å; I43-T45 WeakPolarHBondContact CG2-OG1 3.25Å; I43-T45 PolarHBondContact O-N 3.26Å; T45-V47 PolarHBondContact O-N 3.42Å | ||
| 46 | S | 46.7 | Very low | 58 | Low | 60 Ų | 60 | 80.3 Ų | 80.3 | 42% | 0.42 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -56.1 | 5.8 | -178.3 | 52.8 | 0 | 0 | 0 | 0 | 116.1 | V900 | S46-V900 VanDerWaalsContact O-CG1 3.32Å; S46-V900 WeakPolarHBondContact O-CG1 3.3Å |
| 47 | V | 43.4 | Very low | 56.8 | Low | 43 Ų | 43 | 83 Ų | 83 | 26% | 0.261 | 44% | 0.435 | S | S | . | . | trans | -102.4 | 107.6 | 179.8 | -162.7 | 0 | 0 | 0 | 0 | 108.3 | T45 Q49 N904 | T45-V47 PolarHBondContact O-N 3.42Å; V47-Q49 HydrophobicContact CB-CG 4.15Å; V47-Q49 HydrophobicContact CG1-CG 3.51Å; V47-Q49 PolarHBondContact O-N 2.91Å; V47-N904 HydrophobicContact CG1-CB 3.92Å; V47-N904 WeakPolarHBondContact CG1-ND2 3.18Å | ||
| 48 | Q | 47.9 | Very low | 56 | Low | 118 Ų | 118 | 84.6 Ų | 84.6 | 55% | 0.551 | 44% | 0.444 | S | S | * | . | trans | -65.9 | 65.8 | 169.6 | -66.9 | -178.4 | -9.4 | 0 | 0 | 110.5 | A903 | Q48-A903 HydrophobicContact CB-CB 3.9Å; Q48-A903 HydrophobicContact CG-CB 4.39Å | ||
| 49 | Q | 45.9 | Very low | 55.9 | Low | 104 Ų | 104 | 89.3 Ų | 89.3 | 49% | 0.486 | 47% | 0.465 | S | S | . | . | trans | -77.8 | 144.5 | 169.1 | -63.8 | -170.2 | -20.5 | 0 | 0 | 108.4 | V47 I51 | V47-Q49 HydrophobicContact CB-CG 4.15Å; V47-Q49 HydrophobicContact CG1-CG 3.51Å; V47-Q49 PolarHBondContact O-N 2.91Å; Q49-I51 PolarHBondContact O-N 2.96Å | ||
| 50 | S | 53.6 | Low | 56.3 | Low | 67 Ų | 67 | 93.5 Ų | 93.5 | 47% | 0.469 | 48% | 0.484 | S | S | . | . | trans | -44.6 | 131.7 | 159.9 | 174.7 | 0 | 0 | 0 | 0 | 108 | I52 G53 S54 | S50-I52 PolarHBondContact O-N 3.36Å; S50-I52 PolarHBondContact OG-N 3.4Å; S50-G53 WeakPolarHBondContact O-CA 3.39Å; S50-G53 PolarHBondContact O-N 3.47Å; S50-S54 PolarHBondContact O-N 3.36Å | ||
| 51 | I | 56.6 | Low | 57.2 | Low | 44 Ų | 44 | 91.5 Ų | 91.5 | 23% | 0.226 | 47% | 0.471 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.1 | -29.9 | 175.9 | -64.7 | 139.5 | 0 | 0 | 0 | 110.9 | I22 F37 P40 Q49 | I22-I51 HydrophobicContact CD1-CD1 3.23Å; I22-I51 HydrophobicContact CD1-CG1 4.1Å; F37-I51 HydrophobicContact CB-CG2 3.07Å; F37-I51 HydrophobicContact CD1-CG2 3.71Å; F37-I51 WeakPolarHBondContact CD1-O 3.23Å; F37-I51 HydrophobicContact CD2-CG2 4.4Å; F37-I51 HydrophobicContact CG-CG2 3.51Å; P40-I51 HydrophobicContact CG-CD1 3.67Å; P40-I51 HydrophobicContact CG-CG1 3.73Å; Q49-I51 PolarHBondContact O-N 2.96Å |
| 52 | I | 55.3 | Low | 58.2 | Low | 76 Ų | 76 | 86.8 Ų | 86.8 | 39% | 0.39 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -23.1 | 177.4 | -49 | 177.4 | 0 | 0 | 0 | 112.2 | M1 F37 S50 | M1-I52 HydrophobicContact CB-CG2 3.57Å; M1-I52 HydrophobicContact CG-CG2 4.15Å; M1-I52 HydrophobicContact SD-CG2 3.63Å; F37-I52 HydrophobicContact CE1-CG1 4.45Å; S50-I52 PolarHBondContact O-N 3.36Å; S50-I52 PolarHBondContact OG-N 3.4Å |
| 53 | G | 54.2 | Low | 59.3 | Low | 42 Ų | 42 | 82.9 Ų | 82.9 | 43% | 0.433 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79 | -27.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | S50 R55 | S50-G53 WeakPolarHBondContact O-CA 3.39Å; S50-G53 PolarHBondContact O-N 3.47Å; G53-R55 VanDerWaalsContact C-N 3.32Å; G53-R55 PolarHBondContact O-N 3.33Å |
| 54 | S | 51.2 | Low | 60.5 | Low | 28 Ų | 28 | 88.1 Ų | 88.1 | 20% | 0.196 | 46% | 0.455 | C | S | . | . | trans | -73.4 | 84.3 | 176.7 | -174 | 0 | 0 | 0 | 0 | 110.2 | S50 R56 | S50-S54 PolarHBondContact O-N 3.36Å; S54-R56 PolarHBondContact O-N 3.49Å | ||
| 55 | R | 50.4 | Low | 62.1 | Low | 231 Ų | 231 | 83.5 Ų | 83.5 | 87% | 0.872 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | -22.1 | -177.5 | -75 | -172.8 | 178.6 | -171.1 | 0.7 | 114.4 | G53 | G53-R55 VanDerWaalsContact C-N 3.32Å; G53-R55 PolarHBondContact O-N 3.33Å |
| 56 | R | 52.7 | Low | 63.8 | Low | 233 Ų | 233 | 88 Ų | 88 | 88% | 0.879 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | -19.8 | -163.2 | -70.1 | -173.2 | 177.4 | 173.8 | -0 | 114.8 | S54 | S54-R56 PolarHBondContact O-N 3.49Š|
| 57 | N | 56.1 | Low | 65.4 | Low | 100 Ų | 100 | 88.5 Ų | 88.5 | 54% | 0.535 | 44% | 0.443 | S | S | . | . | S | Bend | trans | -127.8 | 21.4 | -170.2 | -66.6 | -6.3 | 0 | 0 | 0 | 114.8 | P38 H59 | P38-N57 WeakPolarHBondContact CD-O 3.26Å; P38-N57 HydrophobicContact CG-CB 3.74Å; N57-H59 PolarHBondContact O-N 2.94Å |
| 58 | V | 65.6 | Low | 67.3 | Low | 38 Ų | 38 | 87.3 Ų | 87.3 | 23% | 0.23 | 44% | 0.435 | C | S | . | . | trans | -81.2 | 110.8 | 176.1 | -171.7 | 0 | 0 | 0 | 0 | 109.4 | L35 F37 | L35-V58 HydrophobicContact CD2-CG1 4.27Å; F37-V58 HydrophobicContact CD1-CB 4.31Å; F37-V58 HydrophobicContact CD1-CG1 3.97Å; F37-V58 HydrophobicContact CD1-CG2 3.57Å; F37-V58 HydrophobicContact CE1-CB 4.18Å; F37-V58 HydrophobicContact CE1-CG1 3.61Å; F37-V58 HydrophobicContact CE1-CG2 3.47Å; F37-V58 VanDerWaalsContact CE1-CG2 3.47Å; F37-V58 HydrophobicContact CZ-CG1 3.92Å | ||
| 59 | H | 71.8 | Confident | 69 | Low | 119 Ų | 119 | 86.3 Ų | 86.3 | 55% | 0.551 | 43% | 0.43 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 114.7 | 173.9 | -158.4 | 67.2 | 0 | 0 | 0 | 109.1 | L35 M36 N57 | L35-H59 CarbonylContact C-O 3.59Å; L35-H59 WeakPolarHBondContact CA-O 3.35Å; M36-H59 HydrophobicContact CB-CB 4.2Å; M36-H59 PolarHBondContact N-O 3.41Å; M36-H59 PolarHBondContact O-N 3.36Å; N57-H59 PolarHBondContact O-N 2.94Å |
| 60 | H | 81.9 | Confident | 70.8 | Confident | 98 Ų | 98 | 84.2 Ų | 84.2 | 45% | 0.454 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 123.7 | -179.5 | 172.1 | -119.3 | 0 | 0 | 0 | 110.2 | F5 S33 Q34 L35 | F5-H60 AromaticContact CE1-NE2 3.91Å; S33-H60 PolarHBondContact OG-CD2 2.83Å; S33-H60 PolarHBondContact OG-NE2 2.92Å; Q34-H60 WeakPolarHBondContact O-CA 3.34Å; L35-H60 HydrophobicContact CD2-CB 3.8Å; L35-H60 WeakPolarHBondContact CD2-CD2 3.38Å |
| 61 | T | 83.3 | Confident | 72 | Confident | 23 Ų | 23 | 88 Ų | 88 | 14% | 0.141 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 126.5 | 176.9 | 42.2 | 0 | 0 | 0 | 0 | 109.1 | S33 Q34 | S33-T61 CarbonylContact C-O 3.59Å; S33-T61 WeakPolarHBondContact CA-O 3.48Å; Q34-T61 WeakPolarHBondContact CB-OG1 3.38Å; Q34-T61 PolarHBondContact N-O 3.46Å; Q34-T61 PolarHBondContact O-N 3.43Å; Q34-T61 PolarHBondContact OE1-OG1 2.87Å |
| 62 | F | 86 | Confident | 73.3 | Confident | 83 Ų | 83 | 87.7 Ų | 87.7 | 36% | 0.364 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 126.3 | 176.1 | -174 | -91.2 | 0 | 0 | 0 | 110 | T28 H30 Q64 | T28-F62 HydrophobicContact CG2-CE2 4.32Å; T28-F62 WeakPolarHBondContact OG1-CE2 3.45Å; H30-F62 HydrophobicContact CB-CZ 4.37Å; F62-Q64 HydrophobicContact CE1-CB 4.35Å |
| 63 | H | 84.7 | Confident | 74.8 | Confident | 5 Ų | 5 | 85.2 Ų | 85.2 | 2% | 0.023 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 108 | -178.8 | -55.1 | -69.9 | 0 | 0 | 0 | 109.4 | G31 A32 I65 V103 V111 | G31-H63 CarbonylContact C-O 3.56Å; G31-H63 WeakPolarHBondContact CA-O 3.42Å; A32-H63 HydrophobicContact CB-CB 4.5Å; A32-H63 PolarHBondContact N-O 3.22Å; A32-H63 PolarHBondContact O-N 2.93Å; H63-I65 PolarHBondContact O-N 2.95Å; H63-V103 HydrophobicContact CB-CG2 4.38Å; H63-V111 HydrophobicContact CB-CG2 4.02Å |
| 64 | Q | 84.9 | Confident | 76.3 | Confident | 149 Ų | 149 | 89.5 Ų | 89.5 | 70% | 0.696 | 43% | 0.427 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73 | 122 | 174.5 | -168.9 | 175.9 | 12.4 | 0 | 0 | 109.9 | F62 | F62-Q64 HydrophobicContact CE1-CB 4.35Å |
| 65 | I | 85.4 | Confident | 78 | Confident | 5 Ų | 5 | 88.6 Ų | 88.6 | 3% | 0.026 | 42% | 0.421 | C | S | . | . | trans | -93.8 | 113.3 | -177.2 | -62.4 | 170.9 | 0 | 0 | 0 | 108.9 | A32 H63 G67 L68 F89 Y91 L99 A101 V114 | A32-I65 HydrophobicContact CB-CD1 3.82Å; A32-I65 HydrophobicContact CB-CG1 4.49Å; H63-I65 PolarHBondContact O-N 2.95Å; I65-G67 PolarHBondContact O-N 3.35Å; I65-L68 HydrophobicContact CB-CB 4.09Å; I65-L68 HydrophobicContact CB-CD2 4.2Å; I65-L68 HydrophobicContact CD1-CD2 4.41Å; I65-L68 HydrophobicContact CG2-CB 4.08Å; I65-L68 WeakPolarHBondContact O-CB 3.4Å; I65-L68 PolarHBondContact O-N 2.87Å; I65-F89 HydrophobicContact CD1-CB 4.35Å; I65-Y91 HydrophobicContact CD1-CD2 4.2Å; I65-Y91 HydrophobicContact CD1-CE2 3.36Å; I65-L99 HydrophobicContact CG2-CD2 3.81Å; I65-A101 HydrophobicContact CD1-CB 3.64Å; I65-A101 HydrophobicContact CG1-CB 3.84Å; I65-A101 HydrophobicContact CG2-CB 3.97Å; I65-V114 HydrophobicContact CG2-CG1 4.15Å; I65-V114 HydrophobicContact CG2-CG2 4.18Å | ||
| 66 | K | 82.3 | Confident | 79.9 | Confident | 182 Ų | 182 | 77.8 Ų | 77.8 | 79% | 0.791 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | 131.4 | 179.2 | -69.1 | -178.2 | -179.7 | 174.3 | 0 | 110.6 | L68 | K66-L68 VanDerWaalsContact C-N 3.34Š|
| 67 | G | 79.8 | Confident | 81.7 | Confident | 70 Ų | 70 | 66.9 Ų | 66.9 | 72% | 0.722 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87 | -5.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | I65 Q69 | I65-G67 PolarHBondContact O-N 3.35Å; G67-Q69 PolarHBondContact O-N 2.9Å |
| 68 | L | 84.8 | Confident | 83.4 | Confident | 18 Ų | 18 | 62.1 Ų | 62.1 | 9% | 0.094 | 32% | 0.315 | C | S | . | . | trans | -76.9 | 115.3 | 176.3 | -171.2 | 69 | 0 | 0 | 0 | 110.2 | I65 K66 I73 Y91 L93 L99 | I65-L68 HydrophobicContact CB-CB 4.09Å; I65-L68 HydrophobicContact CB-CD2 4.2Å; I65-L68 HydrophobicContact CD1-CD2 4.41Å; I65-L68 HydrophobicContact CG2-CB 4.08Å; I65-L68 WeakPolarHBondContact O-CB 3.4Å; I65-L68 PolarHBondContact O-N 2.87Å; K66-L68 VanDerWaalsContact C-N 3.34Å; L68-I73 HydrophobicContact CD1-CD1 3.66Å; L68-I73 HydrophobicContact CD1-CG1 3.72Å; L68-I73 HydrophobicContact CD2-CD1 3.99Å; L68-I73 HydrophobicContact CG-CD1 3.74Å; L68-I73 HydrophobicContact CG-CG1 4.29Å; L68-Y91 HydrophobicContact CD1-CD1 3.94Å; L68-Y91 HydrophobicContact CD1-CD2 4.11Å; L68-Y91 HydrophobicContact CD1-CE1 4.47Å; L68-Y91 HydrophobicContact CD1-CG 3.73Å; L68-Y91 HydrophobicContact CD2-CD1 4.3Å; L68-Y91 HydrophobicContact CD2-CD2 4.44Å; L68-Y91 HydrophobicContact CD2-CE1 3.99Å; L68-Y91 HydrophobicContact CD2-CE2 4.19Å; L68-Y91 HydrophobicContact CD2-CG 4.5Å; L68-L93 HydrophobicContact CD1-CD2 4.44Å; L68-L99 HydrophobicContact CB-CD2 4.07Å; L68-L99 HydrophobicContact CD1-CD2 3.89Å | ||
| 69 | Q | 83.5 | Confident | 84.5 | Confident | 97 Ų | 97 | 60.7 Ų | 60.7 | 45% | 0.453 | 31% | 0.305 | S | S | . | . | trans | -107 | 121.1 | 176.5 | -68.8 | -176.5 | -16.3 | 0 | 0 | 109.9 | G67 M71 N72 | G67-Q69 PolarHBondContact O-N 2.9Å; Q69-M71 VanDerWaalsContact C-N 3.25Å; Q69-M71 PolarHBondContact O-N 2.95Å; Q69-M71 VanDerWaalsContact O-N 3.12Å; Q69-N72 HydrophobicContact CB-CB 4.43Å; Q69-N72 PolarHBondContact O-N 3.23Å; Q69-N72 PolarHBondContact OE1-ND2 3.33Å | ||
| 70 | P | 83 | Confident | 85.1 | Confident | 60 Ų | 60 | 56.9 Ų | 56.9 | 39% | 0.39 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | -47.6 | -44.1 | -177.4 | -31.9 | 34 | 0 | 0 | 0 | 114.6 | S29 N72 I73 | S29-P70 WeakPolarHBondContact O-CG 3.08Å; P70-N72 PolarHBondContact O-N 2.96Å; P70-I73 PolarHBondContact O-N 2.87Å |
| 71 | M | 77.7 | Confident | 85.1 | Confident | 148 Ų | 148 | 53.3 Ų | 53.3 | 73% | 0.729 | 27% | 0.272 | S | S | * | . | G | 310 helix | trans | -67.6 | -18.5 | -176.8 | 70.7 | -162.1 | -160.3 | 0 | 0 | 114.2 | Q69 | Q69-M71 VanDerWaalsContact C-N 3.25Å; Q69-M71 PolarHBondContact O-N 2.95Å; Q69-M71 VanDerWaalsContact O-N 3.12Å |
| 72 | N | 85.2 | Confident | 84.5 | Confident | 37 Ų | 37 | 56.3 Ų | 56.3 | 20% | 0.198 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -92.7 | -14 | 179.8 | -64.5 | -15.7 | 0 | 0 | 0 | 112.3 | Q69 P70 R74 L93 S94 | Q69-N72 HydrophobicContact CB-CB 4.43Å; Q69-N72 PolarHBondContact O-N 3.23Å; Q69-N72 PolarHBondContact OE1-ND2 3.33Å; P70-N72 PolarHBondContact O-N 2.96Å; N72-R74 PolarHBondContact O-N 3.21Å; N72-L93 HydrophobicContact CB-CD2 4.38Å; N72-L93 CarbonylContact O-C 3.55Å; N72-L93 VanDerWaalsContact O-CA 3.23Å; N72-L93 WeakPolarHBondContact O-CA 3.46Å; N72-S94 WeakPolarHBondContact CA-OG 3.5Å; N72-S94 PolarHBondContact O-N 3.07Å; N72-S94 PolarHBondContact O-OG 2.87Å |
| 73 | I | 86.7 | Confident | 83.7 | Confident | 23 Ų | 23 | 58.6 Ų | 58.6 | 12% | 0.118 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 128.4 | -174.1 | -57 | 166.6 | 0 | 0 | 0 | 109.8 | V11 S29 L68 P70 Y91 L93 | V11-I73 HydrophobicContact CB-CG2 4.46Å; V11-I73 HydrophobicContact CG1-CG2 3.73Å; V11-I73 HydrophobicContact CG2-CG2 3.88Å; S29-I73 WeakPolarHBondContact O-CD1 3.49Å; L68-I73 HydrophobicContact CD1-CD1 3.66Å; L68-I73 HydrophobicContact CD1-CG1 3.72Å; L68-I73 HydrophobicContact CD2-CD1 3.99Å; L68-I73 HydrophobicContact CG-CD1 3.74Å; L68-I73 HydrophobicContact CG-CG1 4.29Å; P70-I73 PolarHBondContact O-N 2.87Å; I73-Y91 HydrophobicContact CD1-CD1 4.21Å; I73-Y91 HydrophobicContact CD1-CE1 4.47Å; I73-Y91 HydrophobicContact CG1-CD1 4.38Å; I73-Y91 HydrophobicContact CG2-CD1 3.87Å; I73-L93 HydrophobicContact CG1-CD2 4.32Å |
| 74 | R | 84.6 | Confident | 83.1 | Confident | 132 Ų | 132 | 60.7 Ų | 60.7 | 50% | 0.498 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | -42.8 | 175.4 | -66.5 | -60 | -174.1 | -177.8 | -5.3 | 112.5 | N72 G92 P145 | N72-R74 PolarHBondContact O-N 3.21Å; R74-G92 PolarHBondContact N-O 3.43Å; R74-P145 VanDerWaalsContact CB-O 3.29Å; R74-P145 WeakPolarHBondContact CB-O 3.47Å |
| 75 | C | 88.1 | Confident | 82.7 | Confident | 10 Ų | 10 | 54.7 Ų | 54.7 | 7% | 0.068 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 168.4 | -179 | 50.1 | 0 | 0 | 0 | 0 | 109.4 | Y91 G92 P145 L146 I148 | C75-Y91 CarbonylContact O-C 3.2Å; C75-Y91 WeakPolarHBondContact O-CA 3.47Å; C75-G92 PolarHBondContact N-O 2.84Å; C75-G92 PolarHBondContact O-N 3.47Å; C75-P145 VanDerWaalsContact SG-C 3.56Å; C75-P145 PolarHBondContact SG-O 3.28Å; C75-L146 WeakPolarHBondContact CB-O 3.41Å; C75-I148 HydrophobicContact CB-CG1 4.37Å; C75-I148 WeakPolarHBondContact SG-CG1 3.26Å |
| 76 | G | 89.8 | Confident | 82.6 | Confident | 3 Ų | 3 | 55.5 Ų | 55.5 | 3% | 0.031 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 164.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | N12 A90 | N12-G76 VanDerWaalsContact CB-O 3.23Å; N12-G76 WeakPolarHBondContact CB-O 3.4Å; N12-G76 PolarHBondContact ND2-O 2.85Å; G76-A90 CarbonylContact C-O 3.55Å; G76-A90 WeakPolarHBondContact CA-O 3.32Å |
| 77 | T | 91.7 | Very high | 82.9 | Confident | 4 Ų | 4 | 47 Ų | 47 | 3% | 0.025 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 157 | 173.7 | -173.3 | 0 | 0 | 0 | 0 | 109 | Q14 C27 A90 I148 L160 | Q14-T77 PolarHBondContact OE1-OG1 3.35Å; Q14-T77 VanDerWaalsContact OE1-OG1 3.12Å; C27-T77 PolarHBondContact SG-O 3.3Å; T77-A90 HydrophobicContact CG2-CB 3.97Å; T77-A90 PolarHBondContact N-O 3.49Å; T77-A90 PolarHBondContact O-N 3.16Å; T77-I148 HydrophobicContact CG2-CB 4.08Å; T77-I148 HydrophobicContact CG2-CG2 3.45Å; T77-I148 VanDerWaalsContact CG2-CG2 3.45Å; T77-L160 HydrophobicContact CG2-CD2 4.09Å |
| 78 | A | 91.2 | Very high | 83.4 | Confident | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.008 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 129.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q14 L25 V88 F89 | Q14-A78 HydrophobicContact CB-CB 4.48Å; Q14-A78 WeakPolarHBondContact CB-O 3.37Å; Q14-A78 WeakPolarHBondContact CG-O 3.39Å; Q14-A78 PolarHBondContact NE2-O 2.89Å; Q14-A78 PolarHBondContact OE1-O 2.74Å; L25-A78 HydrophobicContact CB-CB 3.64Å; L25-A78 HydrophobicContact CD1-CB 4.05Å; A78-V88 CarbonylContact C-O 3.57Å; A78-V88 WeakPolarHBondContact CA-O 3.41Å; A78-F89 HydrophobicContact CB-CD1 3.47Å; A78-F89 VanDerWaalsContact CB-CD1 3.47Å; A78-F89 HydrophobicContact CB-CE1 3.75Å; A78-F89 HydrophobicContact CB-CG 4.34Å |
| 79 | F | 88 | Confident | 83.8 | Confident | 8 Ų | 8 | 42.8 Ų | 42.8 | 4% | 0.035 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 162.6 | -179.6 | 65.2 | -86.8 | 0 | 0 | 0 | 112.1 | Q81 V88 F150 Y158 L160 L174 | F79-Q81 HydrophobicContact CE2-CG 3.98Å; F79-V88 HydrophobicContact CD1-CB 4.19Å; F79-V88 HydrophobicContact CD2-CB 4.42Å; F79-V88 HydrophobicContact CE1-CB 3.72Å; F79-V88 HydrophobicContact CE1-CG1 3.7Å; F79-V88 HydrophobicContact CE1-CG2 4.48Å; F79-V88 HydrophobicContact CE2-CB 3.98Å; F79-V88 HydrophobicContact CE2-CG2 3.92Å; F79-V88 HydrophobicContact CZ-CB 3.6Å; F79-V88 HydrophobicContact CZ-CG1 3.72Å; F79-V88 HydrophobicContact CZ-CG2 3.87Å; F79-V88 PolarHBondContact N-O 2.89Å; F79-V88 PolarHBondContact O-N 3.14Å; F79-F150 HydrophobicContact CB-CB 4.48Å; F79-F150 HydrophobicContact CB-CD2 4.38Å; F79-F150 HydrophobicContact CB-CG 4.24Å; F79-F150 HydrophobicContact CD1-CB 3.88Å; F79-F150 HydrophobicContact CE1-CB 4.42Å; F79-F150 HydrophobicContact CG-CB 4.27Å; F79-F150 HydrophobicContact CG-CD2 4.48Å; F79-F150 HydrophobicContact CG-CG 4.44Å; F79-Y158 HydrophobicContact CD2-CD1 4.19Å; F79-Y158 HydrophobicContact CD2-CE1 4.42Å; F79-Y158 AromaticContact CE2-CD1 3.65Å; F79-Y158 HydrophobicContact CE2-CD1 3.65Å; F79-Y158 HydrophobicContact CE2-CD2 4.39Å; F79-Y158 HydrophobicContact CE2-CE1 4.17Å; F79-Y158 AromaticContact CE2-CG 3.79Å; F79-Y158 HydrophobicContact CE2-CG 3.79Å; F79-Y158 HydrophobicContact CZ-CD1 4.42Å; F79-Y158 HydrophobicContact CZ-CG 4.29Å; F79-L160 HydrophobicContact CE1-CD2 4.05Å; F79-L174 HydrophobicContact CE1-CD1 4.29Å; F79-L174 HydrophobicContact CZ-CD1 3.73Å |
| 80 | I | 84.8 | Confident | 84.2 | Confident | 39 Ų | 39 | 38.1 Ų | 38.1 | 20% | 0.2 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 126.1 | 175.8 | -54 | -173.7 | 0 | 0 | 0 | 107.9 | A16 V23 L25 S82 L87 | A16-I80 HydrophobicContact CB-CD1 3.56Å; A16-I80 HydrophobicContact CB-CG1 3.99Å; V23-I80 HydrophobicContact CB-CD1 3.83Å; V23-I80 HydrophobicContact CG1-CD1 3.91Å; V23-I80 HydrophobicContact CG2-CD1 4.14Å; L25-I80 HydrophobicContact CD1-CD1 4.42Å; L25-I80 HydrophobicContact CD1-CG1 3.69Å; L25-I80 HydrophobicContact CG-CG1 4.49Å; I80-S82 PolarHBondContact O-N 2.99Å; I80-L87 HydrophobicContact CB-CD2 4.46Å; I80-L87 HydrophobicContact CD1-CD2 4.02Å; I80-L87 HydrophobicContact CG1-CD2 3.73Å; I80-L87 HydrophobicContact CG2-CD2 4.28Å |
| 81 | Q | 81.6 | Confident | 84.7 | Confident | 22 Ų | 22 | 35.3 Ų | 35.3 | 10% | 0.103 | 19% | 0.188 | C | C | . | . | trans | -70.4 | 126.8 | 170.8 | -67.3 | -168.6 | -42 | 0 | 0 | 109.7 | F79 H83 S84 G85 V86 V88 Y158 | F79-Q81 HydrophobicContact CE2-CG 3.98Å; Q81-H83 PolarHBondContact O-N 3.44Å; Q81-S84 WeakPolarHBondContact CB-OG 3.26Å; Q81-S84 PolarHBondContact OE1-OG 3.42Å; Q81-G85 VanDerWaalsContact O-CA 3.22Å; Q81-G85 WeakPolarHBondContact O-CA 3.37Å; Q81-G85 PolarHBondContact O-N 2.94Å; Q81-V86 HydrophobicContact CB-CB 4.49Å; Q81-V86 PolarHBondContact N-O 2.81Å; Q81-V88 HydrophobicContact CG-CG2 3.99Å; Q81-Y158 WeakPolarHBondContact CA-OH 3.39Å; Q81-Y158 HydrophobicContact CB-CE2 3.84Å; Q81-Y158 HydrophobicContact CG-CD2 3.97Å; Q81-Y158 HydrophobicContact CG-CE2 3.46Å; Q81-Y158 VanDerWaalsContact CG-CE2 3.46Å; Q81-Y158 VanDerWaalsContact NE2-CE2 3.34Å | ||
| 82 | S | 70.7 | Confident | 85.4 | Confident | 87 Ų | 87 | 28.2 Ų | 28.2 | 61% | 0.608 | 15% | 0.154 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -31.8 | -167.8 | 48.9 | 0 | 0 | 0 | 0 | 113.9 | I80 Y158 | I80-S82 PolarHBondContact O-N 2.99Å; S82-Y158 PolarHBondContact N-OH 3.49Å; S82-Y158 PolarHBondContact OG-OH 2.9Å; S82-Y158 VanDerWaalsContact OG-OH 3.08Å |
| 83 | H | 68.4 | Low | 85.6 | Confident | 131 Ų | 131 | 27.1 Ų | 27.1 | 61% | 0.606 | 15% | 0.148 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.8 | -40.8 | -178.7 | -62.5 | 74.1 | 0 | 0 | 0 | 112.4 | Q81 D156 | Q81-H83 PolarHBondContact O-N 3.44Å; H83-D156 HydrophobicContact CB-CB 4.42Å; H83-D156 IonicContact ND1-OD1 3.99Å |
| 84 | S | 72.7 | Confident | 85.5 | Confident | 48 Ų | 48 | 27.1 Ų | 27.1 | 34% | 0.336 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -18.9 | -177.8 | 71.2 | 0 | 0 | 0 | 0 | 113.6 | Q81 V86 | Q81-S84 WeakPolarHBondContact CB-OG 3.26Å; Q81-S84 PolarHBondContact OE1-OG 3.42Å; S84-V86 PolarHBondContact O-N 3.08Å; S84-V86 VanDerWaalsContact O-N 3.15Å; S84-V86 WeakPolarHBondContact OG-CB 3.45Å; S84-V86 WeakPolarHBondContact OG-CG2 3.2Å; S84-V86 PolarHBondContact OG-N 3.39Å |
| 85 | G | 76.5 | Confident | 85.3 | Confident | 24 Ų | 24 | 24.1 Ų | 24.1 | 25% | 0.247 | 15% | 0.146 | C | C | . | . | trans | 68.6 | -0.2 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q81 L87 P105 | Q81-G85 VanDerWaalsContact O-CA 3.22Å; Q81-G85 WeakPolarHBondContact O-CA 3.37Å; Q81-G85 PolarHBondContact O-N 2.94Å; G85-L87 PolarHBondContact O-N 2.8Å; G85-P105 VanDerWaalsContact O-CD 3.28Å; G85-P105 WeakPolarHBondContact O-CD 3.32Å; G85-P105 VanDerWaalsContact O-CG 3.28Å; G85-P105 WeakPolarHBondContact O-CG 3.47Å | ||
| 86 | V | 84.6 | Confident | 84.9 | Confident | 22 Ų | 22 | 24 Ų | 24 | 13% | 0.133 | 15% | 0.147 | C | C | . | . | trans | -64.3 | 130.9 | -177.4 | 174.2 | 0 | 0 | 0 | 0 | 109.9 | Q81 S84 V88 R102 | Q81-V86 HydrophobicContact CB-CB 4.49Å; Q81-V86 PolarHBondContact N-O 2.81Å; S84-V86 PolarHBondContact O-N 3.08Å; S84-V86 VanDerWaalsContact O-N 3.15Å; S84-V86 WeakPolarHBondContact OG-CB 3.45Å; S84-V86 WeakPolarHBondContact OG-CG2 3.2Å; S84-V86 PolarHBondContact OG-N 3.39Å; V86-V88 HydrophobicContact CG1-CG2 4.34Å; V86-R102 HydrophobicContact CG1-CB 4.07Å | ||
| 87 | L | 87.6 | Confident | 84.8 | Confident | 2 Ų | 2 | 24 Ų | 24 | 1% | 0.01 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 130 | 175.1 | -44.7 | 175.7 | 0 | 0 | 0 | 108.4 | L25 Q34 I80 G85 F89 R102 V103 | L25-L87 HydrophobicContact CD1-CD2 4.45Å; L25-L87 HydrophobicContact CD2-CD1 4.1Å; L25-L87 HydrophobicContact CD2-CD2 4.01Å; L25-L87 HydrophobicContact CD2-CG 4.47Å; Q34-L87 HydrophobicContact CB-CD1 4.27Å; Q34-L87 VanDerWaalsContact CD-CD1 3.41Å; Q34-L87 HydrophobicContact CG-CD1 4.14Å; I80-L87 HydrophobicContact CB-CD2 4.46Å; I80-L87 HydrophobicContact CD1-CD2 4.02Å; I80-L87 HydrophobicContact CG1-CD2 3.73Å; I80-L87 HydrophobicContact CG2-CD2 4.28Å; G85-L87 PolarHBondContact O-N 2.8Å; L87-F89 HydrophobicContact CB-CE2 3.85Å; L87-F89 HydrophobicContact CB-CZ 4.4Å; L87-R102 CarbonylContact O-C 3.58Å; L87-R102 WeakPolarHBondContact O-CA 3.46Å; L87-V103 HydrophobicContact CB-CB 4.24Å; L87-V103 PolarHBondContact N-O 3.1Å; L87-V103 PolarHBondContact O-N 3.29Å |
| 88 | V | 90 | Very high | 84.7 | Confident | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 123.8 | 179.6 | -174.5 | 0 | 0 | 0 | 0 | 108.5 | A78 F79 Q81 V86 V100 R102 | A78-V88 CarbonylContact C-O 3.57Å; A78-V88 WeakPolarHBondContact CA-O 3.41Å; F79-V88 HydrophobicContact CD1-CB 4.19Å; F79-V88 HydrophobicContact CD2-CB 4.42Å; F79-V88 HydrophobicContact CE1-CB 3.72Å; F79-V88 HydrophobicContact CE1-CG1 3.7Å; F79-V88 HydrophobicContact CE1-CG2 4.48Å; F79-V88 HydrophobicContact CE2-CB 3.98Å; F79-V88 HydrophobicContact CE2-CG2 3.92Å; F79-V88 HydrophobicContact CZ-CB 3.6Å; F79-V88 HydrophobicContact CZ-CG1 3.72Å; F79-V88 HydrophobicContact CZ-CG2 3.87Å; F79-V88 PolarHBondContact N-O 2.89Å; F79-V88 PolarHBondContact O-N 3.14Å; Q81-V88 HydrophobicContact CG-CG2 3.99Å; V86-V88 HydrophobicContact CG1-CG2 4.34Å; V88-V100 HydrophobicContact CG1-CG1 3.64Å; V88-R102 HydrophobicContact CG2-CG 4.29Å |
| 89 | F | 92.9 | Very high | 84.8 | Confident | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 124.6 | 174.4 | -59.3 | -90.6 | 0 | 0 | 0 | 108.7 | L25 A32 I65 A78 L87 Y91 V100 A101 V103 | L25-F89 HydrophobicContact CB-CE1 3.87Å; L25-F89 HydrophobicContact CB-CZ 4.3Å; L25-F89 HydrophobicContact CD2-CE1 4.36Å; L25-F89 HydrophobicContact CD2-CZ 3.92Å; A32-F89 HydrophobicContact CB-CB 4.18Å; A32-F89 HydrophobicContact CB-CD1 3.36Å; A32-F89 HydrophobicContact CB-CD2 3.57Å; A32-F89 HydrophobicContact CB-CE1 3.47Å; A32-F89 VanDerWaalsContact CB-CE1 3.47Å; A32-F89 HydrophobicContact CB-CE2 3.66Å; A32-F89 HydrophobicContact CB-CG 3.42Å; A32-F89 VanDerWaalsContact CB-CG 3.42Å; A32-F89 HydrophobicContact CB-CZ 3.61Å; I65-F89 HydrophobicContact CD1-CB 4.35Å; A78-F89 HydrophobicContact CB-CD1 3.47Å; A78-F89 VanDerWaalsContact CB-CD1 3.47Å; A78-F89 HydrophobicContact CB-CE1 3.75Å; A78-F89 HydrophobicContact CB-CG 4.34Å; L87-F89 HydrophobicContact CB-CE2 3.85Å; L87-F89 HydrophobicContact CB-CZ 4.4Å; F89-Y91 HydrophobicContact CB-CE2 3.93Å; F89-V100 CarbonylContact O-C 3.59Å; F89-V100 WeakPolarHBondContact O-CA 3.34Å; F89-A101 HydrophobicContact CB-CB 4.48Å; F89-A101 PolarHBondContact N-O 3.11Å; F89-A101 PolarHBondContact O-N 2.82Å; F89-V103 HydrophobicContact CD2-CG2 4.13Å; F89-V103 HydrophobicContact CE2-CG2 4.05Å |
| 90 | A | 93.2 | Very high | 85 | Confident | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 130.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | G76 T77 I98 L99 V100 L160 | G76-A90 CarbonylContact C-O 3.55Å; G76-A90 WeakPolarHBondContact CA-O 3.32Å; T77-A90 HydrophobicContact CG2-CB 3.97Å; T77-A90 PolarHBondContact N-O 3.49Å; T77-A90 PolarHBondContact O-N 3.16Å; A90-I98 HydrophobicContact CB-CG2 4.02Å; A90-L99 CarbonylContact C-O 3.56Å; A90-L99 WeakPolarHBondContact CA-O 3.36Å; A90-V100 HydrophobicContact CB-CG2 4.13Å; A90-L160 HydrophobicContact CB-CD1 3.66Å |
| 91 | Y | 93.4 | Very high | 85.3 | Confident | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 120 | 179.9 | -67.6 | -94.7 | 0 | 0 | 0 | 109.7 | V11 C27 T28 G31 I65 L68 I73 C75 F89 I98 L99 | V11-Y91 HydrophobicContact CG2-CE1 4.45Å; C27-Y91 VanDerWaalsContact CA-OH 3.23Å; C27-Y91 WeakPolarHBondContact CA-OH 3.3Å; C27-Y91 HydrophobicContact CB-CE1 3.74Å; T28-Y91 PolarHBondContact N-OH 3.3Å; T28-Y91 WeakPolarHBondContact O-CE1 3.33Å; T28-Y91 PolarHBondContact O-OH 2.8Å; G31-Y91 PolarHBondContact O-OH 3.26Å; I65-Y91 HydrophobicContact CD1-CD2 4.2Å; I65-Y91 HydrophobicContact CD1-CE2 3.36Å; L68-Y91 HydrophobicContact CD1-CD1 3.94Å; L68-Y91 HydrophobicContact CD1-CD2 4.11Å; L68-Y91 HydrophobicContact CD1-CE1 4.47Å; L68-Y91 HydrophobicContact CD1-CG 3.73Å; L68-Y91 HydrophobicContact CD2-CD1 4.3Å; L68-Y91 HydrophobicContact CD2-CD2 4.44Å; L68-Y91 HydrophobicContact CD2-CE1 3.99Å; L68-Y91 HydrophobicContact CD2-CE2 4.19Å; L68-Y91 HydrophobicContact CD2-CG 4.5Å; I73-Y91 HydrophobicContact CD1-CD1 4.21Å; I73-Y91 HydrophobicContact CD1-CE1 4.47Å; I73-Y91 HydrophobicContact CG1-CD1 4.38Å; I73-Y91 HydrophobicContact CG2-CD1 3.87Å; C75-Y91 CarbonylContact O-C 3.2Å; C75-Y91 WeakPolarHBondContact O-CA 3.47Å; F89-Y91 HydrophobicContact CB-CE2 3.93Å; Y91-I98 CarbonylContact O-C 3.49Å; Y91-I98 VanDerWaalsContact O-CA 3.26Å; Y91-I98 WeakPolarHBondContact O-CA 3.29Å; Y91-L99 PolarHBondContact N-O 3.15Å; Y91-L99 PolarHBondContact O-N 2.68Å |
| 92 | G | 91.1 | Very high | 85.7 | Confident | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 126.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | R74 C75 | R74-G92 PolarHBondContact N-O 3.43Å; C75-G92 PolarHBondContact N-O 2.84Å; C75-G92 PolarHBondContact O-N 3.47Å |
| 93 | L | 90.7 | Very high | 86.4 | Confident | 14 Ų | 14 | 19.5 Ų | 19.5 | 7% | 0.073 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 153.8 | -174.5 | -57 | -176.3 | 0 | 0 | 0 | 112.3 | L68 N72 I73 T95 G96 S97 L99 P145 | L68-L93 HydrophobicContact CD1-CD2 4.44Å; N72-L93 HydrophobicContact CB-CD2 4.38Å; N72-L93 CarbonylContact O-C 3.55Å; N72-L93 VanDerWaalsContact O-CA 3.23Å; N72-L93 WeakPolarHBondContact O-CA 3.46Å; I73-L93 HydrophobicContact CG1-CD2 4.32Å; L93-T95 VanDerWaalsContact CB-OG1 3.31Å; L93-T95 WeakPolarHBondContact CB-OG1 3.26Å; L93-T95 PolarHBondContact O-N 3.4Å; L93-T95 VanDerWaalsContact O-N 3.11Å; L93-G96 PolarHBondContact O-N 3.16Å; L93-S97 WeakPolarHBondContact CB-O 3.21Å; L93-S97 PolarHBondContact N-O 2.94Å; L93-L99 HydrophobicContact CD1-CB 4.13Å; L93-L99 HydrophobicContact CG-CB 4.47Å; L93-P145 WeakPolarHBondContact O-CD 3.42Å |
| 94 | S | 84.3 | Confident | 86.9 | Confident | 23 Ų | 23 | 15.8 Ų | 15.8 | 16% | 0.161 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -19.9 | 175.1 | 57.2 | 0 | 0 | 0 | 0 | 113.1 | N72 G96 | N72-S94 WeakPolarHBondContact CA-OG 3.5Å; N72-S94 PolarHBondContact O-N 3.07Å; N72-S94 PolarHBondContact O-OG 2.87Å; S94-G96 VanDerWaalsContact C-N 3.29Å; S94-G96 PolarHBondContact O-N 2.95Å |
| 95 | T | 80 | Confident | 86.6 | Confident | 68 Ų | 68 | 15.8 Ų | 15.8 | 42% | 0.417 | 10% | 0.096 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -5.9 | 176.2 | 50.1 | 0 | 0 | 0 | 0 | 114.1 | L93 S97 | L93-T95 VanDerWaalsContact CB-OG1 3.31Å; L93-T95 WeakPolarHBondContact CB-OG1 3.26Å; L93-T95 PolarHBondContact O-N 3.4Å; L93-T95 VanDerWaalsContact O-N 3.11Å; T95-S97 VanDerWaalsContact C-N 3.33Å; T95-S97 PolarHBondContact OG1-OG 3.33Å |
| 96 | G | 79.9 | Confident | 86 | Confident | 8 Ų | 8 | 22.6 Ų | 22.6 | 8% | 0.082 | 12% | 0.121 | C | C | . | . | S | Bend | trans | 91.7 | -10.9 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | L93 S94 S143 | L93-G96 PolarHBondContact O-N 3.16Å; S94-G96 VanDerWaalsContact C-N 3.29Å; S94-G96 PolarHBondContact O-N 2.95Å; G96-S143 VanDerWaalsContact CA-OG 3.26Å; G96-S143 WeakPolarHBondContact CA-OG 3.41Å |
| 97 | S | 86.9 | Confident | 84.7 | Confident | 4 Ų | 4 | 24.5 Ų | 24.5 | 3% | 0.028 | 13% | 0.133 | C | C | . | . | trans | -90.7 | 165.4 | 178.9 | 55.4 | 0 | 0 | 0 | 0 | 113 | L93 T95 E116 L117 | L93-S97 WeakPolarHBondContact CB-O 3.21Å; L93-S97 PolarHBondContact N-O 2.94Å; T95-S97 VanDerWaalsContact C-N 3.33Å; T95-S97 PolarHBondContact OG1-OG 3.33Å; S97-E116 WeakPolarHBondContact CB-OE1 3.35Å; S97-E116 PolarHBondContact OG-OE1 2.89Å; S97-L117 VanDerWaalsContact CA-O 3.27Å; S97-L117 WeakPolarHBondContact CA-O 3.41Å; S97-L117 VanDerWaalsContact CB-O 3.28Å; S97-L117 WeakPolarHBondContact CB-O 3.38Å | ||
| 98 | I | 91.1 | Very high | 83.2 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 118.9 | 173.1 | -53.6 | 168.7 | 0 | 0 | 0 | 108.6 | A90 Y91 V100 E116 L117 P145 I148 L160 T162 W172 | A90-I98 HydrophobicContact CB-CG2 4.02Å; Y91-I98 CarbonylContact O-C 3.49Å; Y91-I98 VanDerWaalsContact O-CA 3.26Å; Y91-I98 WeakPolarHBondContact O-CA 3.29Å; I98-V100 HydrophobicContact CG2-CG2 4.05Å; I98-E116 CarbonylContact O-C 3.6Å; I98-E116 WeakPolarHBondContact O-CA 3.21Å; I98-L117 HydrophobicContact CB-CB 4.11Å; I98-L117 HydrophobicContact CB-CD1 4.1Å; I98-L117 HydrophobicContact CB-CG 4.44Å; I98-L117 HydrophobicContact CD1-CD1 4.4Å; I98-L117 HydrophobicContact CG2-CD1 4.3Å; I98-L117 PolarHBondContact N-O 3.48Å; I98-L117 PolarHBondContact O-N 3.21Å; I98-P145 HydrophobicContact CG1-CG 4.35Å; I98-I148 HydrophobicContact CG2-CD1 4.36Å; I98-L160 HydrophobicContact CG2-CD1 4.28Å; I98-T162 HydrophobicContact CD1-CG2 3.55Å; I98-W172 HydrophobicContact CD1-CD2 3.68Å; I98-W172 VanDerWaalsContact CD1-CE2 3.48Å; I98-W172 HydrophobicContact CD1-CE3 4.36Å; I98-W172 HydrophobicContact CD1-CG 3.8Å; I98-W172 HydrophobicContact CD1-CZ2 4.01Å |
| 99 | L | 92.2 | Very high | 81.7 | Confident | 17 Ų | 17 | 33.7 Ų | 33.7 | 9% | 0.089 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 119.1 | 173.4 | -168.9 | 75.6 | 0 | 0 | 0 | 109.4 | I65 L68 A90 Y91 L93 V114 E116 | I65-L99 HydrophobicContact CG2-CD2 3.81Å; L68-L99 HydrophobicContact CB-CD2 4.07Å; L68-L99 HydrophobicContact CD1-CD2 3.89Å; A90-L99 CarbonylContact C-O 3.56Å; A90-L99 WeakPolarHBondContact CA-O 3.36Å; Y91-L99 PolarHBondContact N-O 3.15Å; Y91-L99 PolarHBondContact O-N 2.68Å; L93-L99 HydrophobicContact CD1-CB 4.13Å; L93-L99 HydrophobicContact CG-CB 4.47Å; L99-V114 HydrophobicContact CD1-CG1 3.73Å; L99-V114 HydrophobicContact CD2-CG1 4.3Å; L99-V114 HydrophobicContact CG-CG1 4Å; L99-E116 HydrophobicContact CD1-CB 4.39Å |
| 100 | V | 92.3 | Very high | 80.5 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 125.3 | 179.4 | -176.7 | 0 | 0 | 0 | 0 | 109.3 | V88 F89 A90 I98 V114 F115 L117 L160 L174 | V88-V100 HydrophobicContact CG1-CG1 3.64Å; F89-V100 CarbonylContact O-C 3.59Å; F89-V100 WeakPolarHBondContact O-CA 3.34Å; A90-V100 HydrophobicContact CB-CG2 4.13Å; I98-V100 HydrophobicContact CG2-CG2 4.05Å; V100-V114 WeakPolarHBondContact O-CA 3.44Å; V100-F115 HydrophobicContact CB-CD2 4.25Å; V100-F115 HydrophobicContact CB-CE1 4.17Å; V100-F115 HydrophobicContact CB-CE2 3.78Å; V100-F115 HydrophobicContact CB-CZ 3.75Å; V100-F115 HydrophobicContact CG1-CE1 4.03Å; V100-F115 HydrophobicContact CG1-CE2 4.19Å; V100-F115 HydrophobicContact CG1-CZ 3.66Å; V100-F115 HydrophobicContact CG2-CE2 4.14Å; V100-F115 HydrophobicContact CG2-CZ 4.43Å; V100-F115 PolarHBondContact N-O 2.89Å; V100-F115 PolarHBondContact O-N 3.46Å; V100-L117 HydrophobicContact CG2-CD1 3.76Å; V100-L117 HydrophobicContact CG2-CG 4.05Å; V100-L160 HydrophobicContact CG2-CD1 4.41Å; V100-L174 HydrophobicContact CG1-CD2 4.32Å; V100-L174 HydrophobicContact CG2-CD2 4Å |
| 101 | A | 91 | Very high | 79.5 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 122.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | I65 F89 V111 E113 V114 | I65-A101 HydrophobicContact CD1-CB 3.64Å; I65-A101 HydrophobicContact CG1-CB 3.84Å; I65-A101 HydrophobicContact CG2-CB 3.97Å; F89-A101 HydrophobicContact CB-CB 4.48Å; F89-A101 PolarHBondContact N-O 3.11Å; F89-A101 PolarHBondContact O-N 2.82Å; A101-V111 HydrophobicContact CB-CG1 4Å; A101-E113 CarbonylContact C-O 3.56Å; A101-E113 WeakPolarHBondContact CA-O 3.48Å; A101-V114 HydrophobicContact CB-CG2 4.16Å |
| 102 | R | 89.3 | Confident | 78.7 | Confident | 48 Ų | 48 | 46 Ų | 46 | 18% | 0.181 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 137.9 | 171.7 | -65.3 | -175.2 | 171.9 | 145 | -4.8 | 109.1 | V86 L87 V88 V111 T112 E113 F115 L174 | V86-R102 HydrophobicContact CG1-CB 4.07Å; L87-R102 CarbonylContact O-C 3.58Å; L87-R102 WeakPolarHBondContact O-CA 3.46Å; V88-R102 HydrophobicContact CG2-CG 4.29Å; R102-V111 CarbonylContact O-C 3.53Å; R102-V111 VanDerWaalsContact O-CG1 3.28Å; R102-V111 WeakPolarHBondContact O-CG1 3.29Å; R102-T112 PolarHBondContact O-N 3.39Å; R102-T112 PolarHBondContact O-OG1 3.31Å; R102-E113 HydrophobicContact CB-CB 4.33Å; R102-E113 PolarHBondContact N-O 3.36Å; R102-E113 IonicContact NH1-OE2 2.75Å; R102-E113 PolarHBondContact NH1-OE2 3.33Å; R102-E113 VanDerWaalsContact NH1-OE2 3.09Å; R102-E113 PolarHBondContact O-N 3.28Å; R102-F115 HydrophobicContact CG-CE1 4.32Å; R102-L174 PolarHBondContact NH2-O 3.44Å |
| 103 | V | 86.2 | Confident | 78.5 | Confident | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.006 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 123.6 | -179.5 | -175 | 0 | 0 | 0 | 0 | 108.2 | H63 L87 F89 V111 | H63-V103 HydrophobicContact CB-CG2 4.38Å; L87-V103 HydrophobicContact CB-CB 4.24Å; L87-V103 PolarHBondContact N-O 3.1Å; L87-V103 PolarHBondContact O-N 3.29Å; F89-V103 HydrophobicContact CD2-CG2 4.13Å; F89-V103 HydrophobicContact CE2-CG2 4.05Å; V103-V111 HydrophobicContact CG2-CG1 4.25Å; V103-V111 HydrophobicContact CG2-CG2 4.24Å |
| 104 | N | 79 | Confident | 78.4 | Confident | 52 Ų | 52 | 51 Ų | 51 | 28% | 0.278 | 29% | 0.289 | S | S | . | . | trans | -81.8 | 127.3 | 177.5 | -174.8 | -16.1 | 0 | 0 | 0 | 109.2 | H106 T107 T112 | N104-H106 PolarHBondContact O-N 2.93Å; N104-H106 VanDerWaalsContact O-N 3.14Å; N104-H106 PolarHBondContact OD1-N 3.38Å; N104-T107 PolarHBondContact O-N 3.31Å; N104-T107 PolarHBondContact O-OG1 3.01Å; N104-T112 HydrophobicContact CB-CG2 3.5Å | ||
| 105 | P | 67.2 | Low | 78.5 | Confident | 48 Ų | 48 | 50.4 Ų | 50.4 | 31% | 0.312 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -24.9 | -176.5 | 24.5 | -38.1 | 0 | 0 | 0 | 114 | G85 | G85-P105 VanDerWaalsContact O-CD 3.28Å; G85-P105 WeakPolarHBondContact O-CD 3.32Å; G85-P105 VanDerWaalsContact O-CG 3.28Å; G85-P105 WeakPolarHBondContact O-CG 3.47Å |
| 106 | H | 64.1 | Low | 78.8 | Confident | 168 Ų | 168 | 50.9 Ų | 50.9 | 78% | 0.778 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | -10.8 | -174.4 | -60 | -58.9 | 0 | 0 | 0 | 114.8 | N104 | N104-H106 PolarHBondContact O-N 2.93Å; N104-H106 VanDerWaalsContact O-N 3.14Å; N104-H106 PolarHBondContact OD1-N 3.38Å |
| 107 | T | 57.1 | Low | 79.1 | Confident | 61 Ų | 61 | 50.5 Ų | 50.5 | 37% | 0.374 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -102.9 | 115.9 | -179 | 47 | 0 | 0 | 0 | 0 | 110.2 | N104 S109 | N104-T107 PolarHBondContact O-N 3.31Å; N104-T107 PolarHBondContact O-OG1 3.01Å; T107-S109 PolarHBondContact O-N 2.87Å |
| 108 | S | 55.2 | Low | 78.8 | Confident | 115 Ų | 115 | 51.6 Ų | 51.6 | 80% | 0.804 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -68.7 | -0.7 | -162.2 | 57.8 | 0 | 0 | 0 | 0 | 117.3 | ||
| 109 | S | 59 | Low | 77.9 | Confident | 80 Ų | 80 | 56.1 Ų | 56.1 | 56% | 0.559 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -160.5 | -10.9 | 170 | 70.6 | 0 | 0 | 0 | 0 | 117.3 | T107 | T107-S109 PolarHBondContact O-N 2.87Š|
| 110 | E | 68.1 | Low | 76.6 | Confident | 147 Ų | 147 | 57.7 Ų | 57.7 | 69% | 0.687 | 32% | 0.321 | S | S | * | . | trans | -95.6 | 127.5 | -170.7 | -65.8 | -166.2 | 163 | 0 | 0 | 113 | T112 | E110-T112 PolarHBondContact O-N 3.08Š| ||
| 111 | V | 71.8 | Confident | 74.7 | Confident | 34 Ų | 34 | 61 Ų | 61 | 21% | 0.206 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 118 | 168 | -177.7 | 0 | 0 | 0 | 0 | 107.5 | H63 A101 R102 V103 E113 V114 | H63-V111 HydrophobicContact CB-CG2 4.02Å; A101-V111 HydrophobicContact CB-CG1 4Å; R102-V111 CarbonylContact O-C 3.53Å; R102-V111 VanDerWaalsContact O-CG1 3.28Å; R102-V111 WeakPolarHBondContact O-CG1 3.29Å; V103-V111 HydrophobicContact CG2-CG1 4.25Å; V103-V111 HydrophobicContact CG2-CG2 4.24Å; V111-E113 PolarHBondContact O-N 3.02Å; V111-V114 HydrophobicContact CB-CG2 4.4Å; V111-V114 HydrophobicContact CG1-CG2 3.44Å; V111-V114 VanDerWaalsContact CG1-CG2 3.44Å |
| 112 | T | 75.8 | Confident | 72.4 | Confident | 77 Ų | 77 | 68 Ų | 68 | 47% | 0.472 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | -36.9 | -173.4 | 43.9 | 0 | 0 | 0 | 0 | 112.4 | R102 N104 E110 | R102-T112 PolarHBondContact O-N 3.39Å; R102-T112 PolarHBondContact O-OG1 3.31Å; N104-T112 HydrophobicContact CB-CG2 3.5Å; E110-T112 PolarHBondContact O-N 3.08Å |
| 113 | E | 86.3 | Confident | 70.4 | Confident | 64 Ų | 64 | 71.3 Ų | 71.3 | 30% | 0.299 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.5 | 133.3 | -178.4 | -163.4 | -179.9 | -157.8 | 0 | 0 | 110.5 | A101 R102 V111 F115 R177 | A101-E113 CarbonylContact C-O 3.56Å; A101-E113 WeakPolarHBondContact CA-O 3.48Å; R102-E113 HydrophobicContact CB-CB 4.33Å; R102-E113 PolarHBondContact N-O 3.36Å; R102-E113 IonicContact NH1-OE2 2.75Å; R102-E113 PolarHBondContact NH1-OE2 3.33Å; R102-E113 VanDerWaalsContact NH1-OE2 3.09Å; R102-E113 PolarHBondContact O-N 3.28Å; V111-E113 PolarHBondContact O-N 3.02Å; E113-F115 HydrophobicContact CG-CD1 3.95Å; E113-R177 IonicContact OE1-CZ 2.6Å; E113-R177 IonicContact OE1-NH1 3.95Å; E113-R177 IonicContact OE1-NH2 3.21Å; E113-R177 PolarHBondContact OE1-NH2 2.99Å; E113-R177 IonicContact OE2-NH2 3.93Å |
| 114 | V | 88.6 | Confident | 68.6 | Low | 55 Ų | 55 | 76.5 Ų | 76.5 | 33% | 0.333 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 125.1 | 168.2 | -176.8 | 0 | 0 | 0 | 0 | 108.1 | I65 L99 V100 A101 V111 | I65-V114 HydrophobicContact CG2-CG1 4.15Å; I65-V114 HydrophobicContact CG2-CG2 4.18Å; L99-V114 HydrophobicContact CD1-CG1 3.73Å; L99-V114 HydrophobicContact CD2-CG1 4.3Å; L99-V114 HydrophobicContact CG-CG1 4Å; V100-V114 WeakPolarHBondContact O-CA 3.44Å; A101-V114 HydrophobicContact CB-CG2 4.16Å; V111-V114 HydrophobicContact CB-CG2 4.4Å; V111-V114 HydrophobicContact CG1-CG2 3.44Å; V111-V114 VanDerWaalsContact CG1-CG2 3.44Å |
| 115 | F | 88.2 | Confident | 67.1 | Low | 12 Ų | 12 | 78.9 Ų | 78.9 | 5% | 0.053 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 157.9 | 176.6 | 61.2 | -89.4 | 0 | 0 | 0 | 111.2 | V100 R102 E113 L117 R177 | V100-F115 HydrophobicContact CB-CD2 4.25Å; V100-F115 HydrophobicContact CB-CE1 4.17Å; V100-F115 HydrophobicContact CB-CE2 3.78Å; V100-F115 HydrophobicContact CB-CZ 3.75Å; V100-F115 HydrophobicContact CG1-CE1 4.03Å; V100-F115 HydrophobicContact CG1-CE2 4.19Å; V100-F115 HydrophobicContact CG1-CZ 3.66Å; V100-F115 HydrophobicContact CG2-CE2 4.14Å; V100-F115 HydrophobicContact CG2-CZ 4.43Å; V100-F115 PolarHBondContact N-O 2.89Å; V100-F115 PolarHBondContact O-N 3.46Å; R102-F115 HydrophobicContact CG-CE1 4.32Å; E113-F115 HydrophobicContact CG-CD1 3.95Å; F115-L117 HydrophobicContact CD2-CD2 4.14Å; F115-L117 HydrophobicContact CE2-CD2 3.81Å; F115-L117 HydrophobicContact CE2-CG 4.32Å; F115-R177 HydrophobicContact CD2-CG 3.96Å; F115-R177 HydrophobicContact CE2-CG 3.99Å |
| 116 | E | 86 | Confident | 66.3 | Low | 78 Ų | 78 | 82 Ų | 82 | 36% | 0.364 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 133.1 | -179.2 | -171.5 | -173.6 | -148.2 | 0 | 0 | 110.1 | S97 I98 L99 K125 | S97-E116 WeakPolarHBondContact CB-OE1 3.35Å; S97-E116 PolarHBondContact OG-OE1 2.89Å; I98-E116 CarbonylContact O-C 3.6Å; I98-E116 WeakPolarHBondContact O-CA 3.21Å; L99-E116 HydrophobicContact CD1-CB 4.39Å; E116-K125 IonicContact OE2-NZ 3.7Å; E116-K125 PolarHBondContact OE2-NZ 3.08Å |
| 117 | L | 86.2 | Confident | 65.3 | Low | 0 Ų | 0 | 83.4 Ų | 83.4 | 0% | 0 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 124 | 171 | -56 | 174.8 | 0 | 0 | 0 | 108.9 | S97 I98 V100 F115 L160 W172 L174 R177 | S97-L117 VanDerWaalsContact CA-O 3.27Å; S97-L117 WeakPolarHBondContact CA-O 3.41Å; S97-L117 VanDerWaalsContact CB-O 3.28Å; S97-L117 WeakPolarHBondContact CB-O 3.38Å; I98-L117 HydrophobicContact CB-CB 4.11Å; I98-L117 HydrophobicContact CB-CD1 4.1Å; I98-L117 HydrophobicContact CB-CG 4.44Å; I98-L117 HydrophobicContact CD1-CD1 4.4Å; I98-L117 HydrophobicContact CG2-CD1 4.3Å; I98-L117 PolarHBondContact N-O 3.48Å; I98-L117 PolarHBondContact O-N 3.21Å; V100-L117 HydrophobicContact CG2-CD1 3.76Å; V100-L117 HydrophobicContact CG2-CG 4.05Å; F115-L117 HydrophobicContact CD2-CD2 4.14Å; F115-L117 HydrophobicContact CE2-CD2 3.81Å; F115-L117 HydrophobicContact CE2-CG 4.32Å; L117-L160 HydrophobicContact CD1-CD1 4.31Å; L117-W172 HydrophobicContact CB-CE3 3.93Å; L117-W172 HydrophobicContact CB-CZ3 4.17Å; L117-W172 HydrophobicContact CD1-CB 4.15Å; L117-L174 HydrophobicContact CD1-CD2 3.91Å; L117-R177 HydrophobicContact CD2-CB 3.82Å; L117-R177 HydrophobicContact CD2-CG 4.31Å |
| 118 | C | 81.1 | Confident | 64.7 | Low | 26 Ų | 26 | 84.1 Ų | 84.1 | 18% | 0.176 | 45% | 0.449 | C | S | . | . | B | Isolated β-bridge | trans | -123.1 | 151.1 | 175.2 | -60.5 | 0 | 0 | 0 | 0 | 110 | A120 K125 | C118-A120 VanDerWaalsContact C-N 3.35Å; C118-K125 VanDerWaalsContact SG-CE 3.57Å; C118-K125 PolarHBondContact SG-NZ 2.84Å |
| 119 | Q | 72.1 | Confident | 64 | Low | 96 Ų | 96 | 81.4 Ų | 81.4 | 45% | 0.449 | 44% | 0.439 | S | S | . | . | S | Bend | trans | -70.2 | -33.1 | 176.1 | -171.4 | 168.7 | -2.6 | 0 | 0 | 111.9 | R170 W172 C179 | Q119-R170 VanDerWaalsContact OE1-NH2 3.15Å; Q119-W172 HydrophobicContact CB-CH2 4.34Å; Q119-C179 HydrophobicContact CG-CB 4.48Å |
| 120 | A | 63.1 | Low | 63.3 | Low | 50 Ų | 50 | 84.3 Ų | 84.3 | 41% | 0.413 | 45% | 0.447 | S | S | . | . | S | Bend | trans | -78.5 | 142.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | C118 Q124 | C118-A120 VanDerWaalsContact C-N 3.35Å; A120-Q124 HydrophobicContact CB-CB 4.33Å |
| 121 | S | 52.4 | Low | 62 | Low | 69 Ų | 69 | 81.7 Ų | 81.7 | 48% | 0.483 | 44% | 0.441 | S | S | . | . | trans | -63.6 | 148.1 | 176.4 | 74.8 | 0 | 0 | 0 | 0 | 111.6 | I123 Q124 K125 | S121-I123 PolarHBondContact O-N 3Å; S121-Q124 WeakPolarHBondContact O-CA 3.04Å; S121-Q124 WeakPolarHBondContact O-CB 3.46Å; S121-Q124 PolarHBondContact O-N 3.22Å; S121-K125 PolarHBondContact O-N 2.81Å | ||
| 122 | M | 43.8 | Very low | 60.4 | Low | 147 Ų | 147 | 85.2 Ų | 85.2 | 72% | 0.724 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -53.3 | -29.9 | 176.9 | -101.4 | -171.2 | -176.1 | 0 | 0 | 113.2 | Q124 K125 I126 | M122-Q124 VanDerWaalsContact C-N 3.26Å; M122-Q124 PolarHBondContact O-N 3.4Å; M122-K125 WeakPolarHBondContact O-CB 3.49Å; M122-K125 PolarHBondContact O-N 3.38Å; M122-K125 VanDerWaalsContact O-N 3.1Å; M122-I126 PolarHBondContact O-N 3.46Å |
| 123 | I | 46.1 | Very low | 58.4 | Low | 117 Ų | 117 | 91 Ų | 91 | 60% | 0.6 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -60.6 | -37.9 | 175.2 | -73.9 | 167.3 | 0 | 0 | 0 | 110.8 | S121 I126 W127 | S121-I123 PolarHBondContact O-N 3Å; I123-I126 PolarHBondContact O-N 3.36Å; I123-W127 PolarHBondContact O-N 2.96Å |
| 124 | Q | 50.1 | Low | 55.8 | Low | 110 Ų | 110 | 92.8 Ų | 92.8 | 51% | 0.514 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -69.6 | -34.4 | 175.7 | -139.5 | 168.4 | 0 | 0 | 0 | 111.7 | A120 S121 M122 W127 C128 | A120-Q124 HydrophobicContact CB-CB 4.33Å; S121-Q124 WeakPolarHBondContact O-CA 3.04Å; S121-Q124 WeakPolarHBondContact O-CB 3.46Å; S121-Q124 PolarHBondContact O-N 3.22Å; M122-Q124 VanDerWaalsContact C-N 3.26Å; M122-Q124 PolarHBondContact O-N 3.4Å; Q124-W127 PolarHBondContact O-N 3.21Å; Q124-C128 WeakPolarHBondContact O-CB 3.5Å; Q124-C128 PolarHBondContact O-N 3.45Å; Q124-C128 PolarHBondContact O-SG 3.47Å |
| 125 | K | 46.3 | Very low | 53 | Low | 103 Ų | 103 | 94.3 Ų | 94.3 | 45% | 0.448 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.1 | -39.5 | 170.3 | -87.4 | -173.3 | 172.3 | -177.2 | 0 | 112.2 | E116 C118 S121 M122 G129 | E116-K125 IonicContact OE2-NZ 3.7Å; E116-K125 PolarHBondContact OE2-NZ 3.08Å; C118-K125 VanDerWaalsContact SG-CE 3.57Å; C118-K125 PolarHBondContact SG-NZ 2.84Å; S121-K125 PolarHBondContact O-N 2.81Å; M122-K125 WeakPolarHBondContact O-CB 3.49Å; M122-K125 PolarHBondContact O-N 3.38Å; M122-K125 VanDerWaalsContact O-N 3.1Å; K125-G129 PolarHBondContact O-N 3.2Å |
| 126 | I | 51.3 | Low | 50.4 | Low | 113 Ų | 113 | 103.7 Ų | 103.7 | 58% | 0.579 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -67.1 | -41 | 176.6 | -66.6 | 171.2 | 0 | 0 | 0 | 110.7 | M122 I123 G129 | M122-I126 PolarHBondContact O-N 3.46Å; I123-I126 PolarHBondContact O-N 3.36Å; I126-G129 PolarHBondContact O-N 2.78Å |
| 127 | W | 43.4 | Very low | 47.9 | Very low | 198 Ų | 198 | 105.2 Ų | 105.2 | 75% | 0.75 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -73.5 | -32.3 | 179 | -80.3 | 68.9 | 0 | 0 | 0 | 113.1 | I123 Q124 G129 | I123-W127 PolarHBondContact O-N 2.96Å; Q124-W127 PolarHBondContact O-N 3.21Å; W127-G129 VanDerWaalsContact C-N 3.28Å; W127-G129 PolarHBondContact O-N 2.78Å |
| 128 | C | 43 | Very low | 45.7 | Very low | 76 Ų | 76 | 112.2 Ų | 112.2 | 51% | 0.514 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -72.5 | -20.3 | 170 | -67.8 | 0 | 0 | 0 | 0 | 113.1 | Q124 I130 | Q124-C128 WeakPolarHBondContact O-CB 3.5Å; Q124-C128 PolarHBondContact O-N 3.45Å; Q124-C128 PolarHBondContact O-SG 3.47Å; C128-I130 VanDerWaalsContact C-N 3.3Å; C128-I130 PolarHBondContact O-N 3.33Å |
| 129 | G | 41.6 | Very low | 43.7 | Very low | 58 Ų | 58 | 116.6 Ų | 116.6 | 60% | 0.598 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.2 | -15.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | K125 I126 W127 | K125-G129 PolarHBondContact O-N 3.2Å; I126-G129 PolarHBondContact O-N 2.78Å; W127-G129 VanDerWaalsContact C-N 3.28Å; W127-G129 PolarHBondContact O-N 2.78Å |
| 130 | I | 45.1 | Very low | 42.7 | Very low | 140 Ų | 140 | 116.9 Ų | 116.9 | 72% | 0.718 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.5 | -6.1 | -176.7 | -61.5 | 176.5 | 0 | 0 | 0 | 112.6 | C128 | C128-I130 VanDerWaalsContact C-N 3.3Å; C128-I130 PolarHBondContact O-N 3.33Å |
| 131 | T | 39.2 | Very low | 42.6 | Very low | 93 Ų | 93 | 117.6 Ų | 117.6 | 57% | 0.571 | 63% | 0.633 | S | S | * | * | trans | -136.8 | 92.3 | 171.9 | 53 | 0 | 0 | 0 | 0 | 111.5 | F133 | T131-F133 PolarHBondContact O-N 2.92Š| ||
| 132 | P | 38.1 | Very low | 43.4 | Very low | 107 Ų | 107 | 116.7 Ų | 116.7 | 70% | 0.695 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.4 | 21.5 | -168 | 31.3 | -33.8 | 0 | 0 | 0 | 115.5 | ||
| 133 | F | 34.5 | Very low | 45 | Very low | 199 Ų | 199 | 110.8 Ų | 110.8 | 87% | 0.873 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133.2 | 14.1 | -176.3 | -72.3 | -70.4 | 0 | 0 | 0 | 116.5 | T131 | T131-F133 PolarHBondContact O-N 2.92Š|
| 134 | S | 31.3 | Very low | 47 | Very low | 102 Ų | 102 | 105.2 Ų | 105.2 | 71% | 0.713 | 57% | 0.571 | S | S | * | * | S | Bend | trans | -141.3 | 76.5 | 179 | -173.3 | 0 | 0 | 0 | 0 | 113.4 | ||
| 135 | S | 30.3 | Very low | 48.8 | Very low | 86 Ų | 86 | 100 Ų | 100 | 60% | 0.601 | 55% | 0.547 | S | S | * | . | trans | 162.5 | 65.9 | 137.7 | 69 | 0 | 0 | 0 | 0 | 111.6 | N137 | S135-N137 PolarHBondContact O-N 3.28Š| ||
| 136 | K | 32.5 | Very low | 50.8 | Low | 209 Ų | 209 | 96.1 Ų | 96.1 | 91% | 0.909 | 53% | 0.531 | S | S | * | . | trans | -84.2 | 70.8 | 147.6 | -84 | -177.2 | 173.8 | 179.6 | 0 | 106.5 | ||||
| 137 | N | 35.1 | Very low | 52.5 | Low | 111 Ų | 111 | 92 Ų | 92 | 59% | 0.594 | 51% | 0.511 | S | S | * | . | trans | -81.4 | 127.6 | 164.4 | -93 | 0.4 | 0 | 0 | 0 | 106.4 | S135 N139 D140 | S135-N137 PolarHBondContact O-N 3.28Å; N137-N139 HydrophobicContact CB-CB 4.29Å; N137-N139 PolarHBondContact O-N 3.38Å; N137-D140 PolarHBondContact O-N 3.05Å | ||
| 138 | D | 38.8 | Very low | 54.9 | Low | 147 Ų | 147 | 82.9 Ų | 82.9 | 79% | 0.786 | 48% | 0.476 | S | S | * | . | G | 310 helix | trans | -55.7 | -6.3 | 173.5 | -74.2 | -41.6 | 0 | 0 | 0 | 113.8 | D140 S141 | D138-D140 PolarHBondContact O-N 2.78Å; D138-S141 WeakPolarHBondContact O-CB 3.48Å; D138-S141 PolarHBondContact O-N 2.99Å; D138-S141 PolarHBondContact O-OG 2.84Å |
| 139 | N | 40.7 | Very low | 57 | Low | 117 Ų | 117 | 79.9 Ų | 79.9 | 63% | 0.626 | 46% | 0.456 | S | S | * | . | G | 310 helix | trans | -58.6 | -25.6 | 173.8 | -79.9 | 3.6 | 0 | 0 | 0 | 114.3 | N137 S141 S142 | N137-N139 HydrophobicContact CB-CB 4.29Å; N137-N139 PolarHBondContact O-N 3.38Å; N139-S141 PolarHBondContact O-N 3.34Å; N139-S141 VanDerWaalsContact O-N 3.15Å; N139-S142 PolarHBondContact O-N 2.91Å; N139-S142 PolarHBondContact O-OG 2.94Å |
| 140 | D | 49.8 | Very low | 59.2 | Low | 102 Ų | 102 | 80.4 Ų | 80.4 | 55% | 0.545 | 44% | 0.442 | S | S | . | . | G | 310 helix | trans | -63 | -22.3 | 178.7 | -77.8 | -14.4 | 0 | 0 | 0 | 112.6 | N137 D138 S142 S143 | N137-D140 PolarHBondContact O-N 3.05Å; D138-D140 PolarHBondContact O-N 2.78Å; D140-S142 PolarHBondContact O-N 2.99Å; D140-S143 PolarHBondContact O-N 3.17Å; D140-S143 PolarHBondContact O-OG 2.95Å |
| 141 | S | 62 | Low | 61.2 | Low | 65 Ų | 65 | 73.8 Ų | 73.8 | 46% | 0.455 | 41% | 0.408 | S | S | . | . | G | 310 helix | trans | -64.3 | -24.1 | 177.2 | 69.1 | 0 | 0 | 0 | 0 | 114.4 | D138 N139 S143 S144 | D138-S141 WeakPolarHBondContact O-CB 3.48Å; D138-S141 PolarHBondContact O-N 2.99Å; D138-S141 PolarHBondContact O-OG 2.84Å; N139-S141 PolarHBondContact O-N 3.34Å; N139-S141 VanDerWaalsContact O-N 3.15Å; S141-S143 VanDerWaalsContact C-N 3.34Å; S141-S144 WeakPolarHBondContact O-CB 3.23Å; S141-S144 PolarHBondContact O-N 2.97Å; S141-S144 PolarHBondContact O-OG 3.41Å |
| 142 | S | 68.7 | Low | 63.2 | Low | 51 Ų | 51 | 72.2 Ų | 72.2 | 36% | 0.357 | 40% | 0.401 | S | S | . | . | G | 310 helix | trans | -69 | -32 | 178.9 | 63.2 | 0 | 0 | 0 | 0 | 112.6 | N139 D140 S144 K165 D166 | N139-S142 PolarHBondContact O-N 2.91Å; N139-S142 PolarHBondContact O-OG 2.94Å; D140-S142 PolarHBondContact O-N 2.99Å; S142-S144 PolarHBondContact O-N 3.16Å; S142-K165 CarbonylContact O-C 3.58Å; S142-K165 WeakPolarHBondContact O-CB 3.25Å; S142-D166 WeakPolarHBondContact O-CB 3.34Å; S142-D166 PolarHBondContact O-N 3.5Å |
| 143 | S | 77.9 | Confident | 64.9 | Low | 22 Ų | 22 | 67.7 Ų | 67.7 | 15% | 0.154 | 37% | 0.371 | C | S | . | . | G | 310 helix | trans | -80.1 | -0.2 | 179.9 | 68.9 | 0 | 0 | 0 | 0 | 113.6 | G96 D140 S141 C164 | G96-S143 VanDerWaalsContact CA-OG 3.26Å; G96-S143 WeakPolarHBondContact CA-OG 3.41Å; D140-S143 PolarHBondContact O-N 3.17Å; D140-S143 PolarHBondContact O-OG 2.95Å; S141-S143 VanDerWaalsContact C-N 3.34Å; S143-C164 PolarHBondContact O-SG 3.27Å |
| 144 | S | 86.8 | Confident | 66.5 | Low | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 35% | 0.348 | C | S | . | . | trans | -60.3 | 125.1 | -174.4 | 79.2 | 0 | 0 | 0 | 0 | 111.8 | S141 S142 C164 K165 | S141-S144 WeakPolarHBondContact O-CB 3.23Å; S141-S144 PolarHBondContact O-N 2.97Å; S141-S144 PolarHBondContact O-OG 3.41Å; S142-S144 PolarHBondContact O-N 3.16Å; S144-C164 WeakPolarHBondContact O-CA 3.46Å; S144-K165 PolarHBondContact O-N 2.64Å; S144-K165 WeakPolarHBondContact OG-CD 3.48Å; S144-K165 WeakPolarHBondContact OG-CE 3.28Å; S144-K165 VanDerWaalsContact OG-CG 3.27Å; S144-K165 WeakPolarHBondContact OG-CG 3.24Å | ||
| 145 | P | 89.8 | Confident | 67.8 | Low | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 133.9 | 172.6 | 26.6 | -36.5 | 0 | 0 | 0 | 111.2 | R74 C75 L93 I98 I148 T162 | R74-P145 VanDerWaalsContact CB-O 3.29Å; R74-P145 WeakPolarHBondContact CB-O 3.47Å; C75-P145 VanDerWaalsContact SG-C 3.56Å; C75-P145 PolarHBondContact SG-O 3.28Å; L93-P145 WeakPolarHBondContact O-CD 3.42Å; I98-P145 HydrophobicContact CG1-CG 4.35Å; P145-I148 HydrophobicContact CB-CD1 4.44Å; P145-I148 HydrophobicContact CB-CG1 4.42Å; P145-T162 HydrophobicContact CB-CG2 4.27Å |
| 146 | L | 86.5 | Confident | 69.5 | Low | 23 Ų | 23 | 59 Ų | 59 | 12% | 0.12 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | -35.6 | 179.5 | -72.1 | 170.3 | 0 | 0 | 0 | 112.7 | C75 I163 K165 G211 L212 H214 | C75-L146 WeakPolarHBondContact CB-O 3.41Å; L146-I163 WeakPolarHBondContact CB-O 3.42Å; L146-I163 PolarHBondContact N-O 3.2Å; L146-K165 HydrophobicContact CD1-CB 4.32Å; L146-K165 HydrophobicContact CD1-CG 3.74Å; L146-K165 HydrophobicContact CD2-CD 4.33Å; L146-K165 HydrophobicContact CD2-CG 3.52Å; L146-K165 HydrophobicContact CG-CB 4.44Å; L146-K165 HydrophobicContact CG-CG 3.62Å; L146-G211 WeakPolarHBondContact CD1-O 3.48Å; L146-L212 HydrophobicContact CD2-CD2 4.42Å; L146-H214 HydrophobicContact CD1-CB 4.3Å |
| 147 | D | 88.6 | Confident | 71.6 | Confident | 27 Ų | 27 | 52 Ų | 52 | 14% | 0.144 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 148.7 | 175.1 | -165.5 | 10.4 | 0 | 0 | 0 | 109.4 | T162 I163 R215 L216 | D147-T162 VanDerWaalsContact O-CA 3.26Å; D147-T162 WeakPolarHBondContact O-CA 3.26Å; D147-I163 HydrophobicContact CB-CG2 3.67Å; D147-I163 PolarHBondContact N-O 3.47Å; D147-I163 PolarHBondContact O-N 3.2Å; D147-R215 WeakPolarHBondContact OD2-CA 3.44Å; D147-L216 PolarHBondContact OD2-N 3.22Å |
| 148 | I | 92 | Very high | 73.9 | Confident | 5 Ų | 5 | 47.5 Ų | 47.5 | 3% | 0.026 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 126.6 | -173.5 | -51.4 | -174 | 0 | 0 | 0 | 108.6 | C75 T77 I98 P145 L160 A161 T162 | C75-I148 HydrophobicContact CB-CG1 4.37Å; C75-I148 WeakPolarHBondContact SG-CG1 3.26Å; T77-I148 HydrophobicContact CG2-CB 4.08Å; T77-I148 HydrophobicContact CG2-CG2 3.45Å; T77-I148 VanDerWaalsContact CG2-CG2 3.45Å; I98-I148 HydrophobicContact CG2-CD1 4.36Å; P145-I148 HydrophobicContact CB-CD1 4.44Å; P145-I148 HydrophobicContact CB-CG1 4.42Å; I148-L160 HydrophobicContact CG2-CB 4.35Å; I148-L160 HydrophobicContact CG2-CD2 4.29Å; I148-A161 CarbonylContact C-O 3.57Å; I148-A161 WeakPolarHBondContact CA-O 3.38Å; I148-T162 HydrophobicContact CB-CG2 4.15Å; I148-T162 HydrophobicContact CD1-CG2 4.11Å; I148-T162 HydrophobicContact CG1-CG2 3.66Å; I148-T162 HydrophobicContact CG2-CG2 3.92Å |
| 149 | S | 88.7 | Confident | 76.4 | Confident | 13 Ų | 13 | 40.7 Ų | 40.7 | 9% | 0.091 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 139.4 | 174.6 | -160.5 | 0 | 0 | 0 | 0 | 110.4 | A161 S218 | S149-A161 PolarHBondContact N-O 3.1Å; S149-A161 PolarHBondContact O-N 2.99Å; S149-S218 PolarHBondContact OG-OG 2.94Å |
| 150 | F | 87.8 | Confident | 78.8 | Confident | 69 Ų | 69 | 35.1 Ų | 35.1 | 30% | 0.303 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 141.7 | 177.2 | 86.5 | -84.9 | 0 | 0 | 0 | 110 | F79 L160 S218 | F79-F150 HydrophobicContact CB-CB 4.48Å; F79-F150 HydrophobicContact CB-CD2 4.38Å; F79-F150 HydrophobicContact CB-CG 4.24Å; F79-F150 HydrophobicContact CD1-CB 3.88Å; F79-F150 HydrophobicContact CE1-CB 4.42Å; F79-F150 HydrophobicContact CG-CB 4.27Å; F79-F150 HydrophobicContact CG-CD2 4.48Å; F79-F150 HydrophobicContact CG-CG 4.44Å; F150-L160 HydrophobicContact CB-CD2 4.39Å; F150-S218 PolarHBondContact O-OG 3.41Å; F150-S218 VanDerWaalsContact O-OG 3.08Å |
| 151 | L | 86.5 | Confident | 80.9 | Confident | 1 Ų | 1 | 30.2 Ų | 30.2 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 115.6 | 177.7 | -54.2 | 176.8 | 0 | 0 | 0 | 109.1 | L153 F159 A161 I171 S218 I226 L228 L262 | L151-L153 HydrophobicContact CB-CD1 4.37Å; L151-L153 WeakPolarHBondContact O-CD1 3.22Å; L151-F159 HydrophobicContact CB-CB 4.2Å; L151-F159 HydrophobicContact CD1-CB 4.23Å; L151-F159 PolarHBondContact N-O 3.03Å; L151-F159 PolarHBondContact O-N 3.4Å; L151-F159 VanDerWaalsContact O-N 3.11Å; L151-A161 HydrophobicContact CD1-CB 3.79Å; L151-A161 HydrophobicContact CD2-CB 4.39Å; L151-A161 HydrophobicContact CG-CB 4.16Å; L151-I171 HydrophobicContact CD1-CG2 4.23Å; L151-S218 VanDerWaalsContact CD2-CB 3.44Å; L151-I226 HydrophobicContact CB-CD1 4.32Å; L151-I226 HydrophobicContact CD2-CG2 4.21Å; L151-L228 HydrophobicContact CD2-CD2 3.51Å; L151-L262 HydrophobicContact CD1-CD2 3.6Å |
| 152 | S | 80.9 | Confident | 82.4 | Confident | 60 Ų | 60 | 27.1 Ų | 27.1 | 42% | 0.42 | 17% | 0.167 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 113.5 | 175.5 | 172.6 | 0 | 0 | 0 | 0 | 109.8 | I226 | S152-I226 WeakPolarHBondContact O-CD1 3.02Å |
| 153 | L | 74.2 | Confident | 83.5 | Confident | 13 Ų | 13 | 24.7 Ų | 24.7 | 7% | 0.068 | 15% | 0.15 | C | C | . | . | trans | -94.8 | -3 | -175.4 | -67.2 | 96.1 | 0 | 0 | 0 | 113.8 | L151 E157 F159 I264 A267 L268 | L151-L153 HydrophobicContact CB-CD1 4.37Å; L151-L153 WeakPolarHBondContact O-CD1 3.22Å; L153-E157 HydrophobicContact CB-CB 4.44Å; L153-E157 WeakPolarHBondContact CB-O 3.37Å; L153-E157 PolarHBondContact N-O 2.94Å; L153-E157 VanDerWaalsContact N-O 3.15Å; L153-F159 HydrophobicContact CD1-CB 3.95Å; L153-F159 HydrophobicContact CD1-CD1 4.46Å; L153-F159 HydrophobicContact CD1-CD2 3.39Å; L153-F159 HydrophobicContact CD1-CE2 3.95Å; L153-F159 HydrophobicContact CD1-CG 3.68Å; L153-F159 HydrophobicContact CD2-CD2 3.44Å; L153-F159 VanDerWaalsContact CD2-CD2 3.44Å; L153-F159 HydrophobicContact CD2-CE2 3.3Å; L153-F159 HydrophobicContact CD2-CG 4.5Å; L153-F159 HydrophobicContact CD2-CZ 4.28Å; L153-F159 HydrophobicContact CG-CD2 4.06Å; L153-F159 HydrophobicContact CG-CE2 4.29Å; L153-I264 HydrophobicContact CB-CG2 3.96Å; L153-I264 HydrophobicContact CD2-CG2 4.1Å; L153-I264 HydrophobicContact CG-CG2 4.36Å; L153-I264 WeakPolarHBondContact O-CG2 3.4Å; L153-A267 HydrophobicContact CD2-CB 3.92Å; L153-L268 HydrophobicContact CB-CD2 3.98Å; L153-L268 HydrophobicContact CD2-CD2 3.8Å; L153-L268 HydrophobicContact CD2-CG 3.97Å; L153-L268 HydrophobicContact CG-CD2 4.49Å | ||
| 154 | G | 67.7 | Low | 84.1 | Confident | 37 Ų | 37 | 23.7 Ų | 23.7 | 38% | 0.381 | 14% | 0.143 | S | C | . | . | S | Bend | trans | 97.4 | 158 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | D156 E157 | G154-D156 PolarHBondContact O-N 3.48Å; G154-E157 PolarHBondContact O-N 3.22Å; G154-E157 VanDerWaalsContact O-N 3.11Å |
| 155 | S | 59.7 | Low | 84 | Confident | 105 Ų | 105 | 25 Ų | 25 | 73% | 0.734 | 15% | 0.148 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 26.4 | 51.3 | -179.4 | 65.8 | 0 | 0 | 0 | 0 | 116.8 | ||
| 156 | D | 66 | Low | 83.8 | Confident | 63 Ų | 63 | 26 Ų | 26 | 34% | 0.337 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 85.2 | 10 | 170 | -131 | 34.8 | 0 | 0 | 0 | 118.1 | H83 G154 Y158 | H83-D156 HydrophobicContact CB-CB 4.42Å; H83-D156 IonicContact ND1-OD1 3.99Å; G154-D156 PolarHBondContact O-N 3.48Å; D156-Y158 VanDerWaalsContact C-CE2 3.5Å; D156-Y158 HydrophobicContact CB-CE2 4.47Å; D156-Y158 VanDerWaalsContact O-CD2 3.3Å; D156-Y158 WeakPolarHBondContact O-CD2 3.28Å; D156-Y158 VanDerWaalsContact O-CE2 3.27Å; D156-Y158 WeakPolarHBondContact O-CE2 3.48Å; D156-Y158 WeakPolarHBondContact OD1-CE2 3.22Å; D156-Y158 PolarHBondContact OD1-OH 3.3Å |
| 157 | E | 75.1 | Confident | 83.8 | Confident | 61 Ų | 61 | 25.1 Ų | 25.1 | 29% | 0.285 | 15% | 0.149 | S | C | . | . | trans | -97.2 | 131 | 169.6 | -59.1 | -143.3 | 150.5 | 0 | 0 | 112.4 | L153 G154 K175 L268 | L153-E157 HydrophobicContact CB-CB 4.44Å; L153-E157 WeakPolarHBondContact CB-O 3.37Å; L153-E157 PolarHBondContact N-O 2.94Å; L153-E157 VanDerWaalsContact N-O 3.15Å; G154-E157 PolarHBondContact O-N 3.22Å; G154-E157 VanDerWaalsContact O-N 3.11Å; E157-K175 IonicContact OE1-NZ 3.75Å; E157-K175 PolarHBondContact OE1-NZ 3.47Å; E157-L268 HydrophobicContact CB-CD2 3.75Å; E157-L268 HydrophobicContact CG-CD2 4.12Å; E157-L268 WeakPolarHBondContact OE2-CD2 3.36Å | ||
| 158 | Y | 83.8 | Confident | 83.9 | Confident | 16 Ų | 16 | 27.9 Ų | 27.9 | 6% | 0.063 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 132.3 | -171.5 | -58 | -80.8 | 0 | 0 | 0 | 111.7 | F79 Q81 S82 D156 | F79-Y158 HydrophobicContact CD2-CD1 4.19Å; F79-Y158 HydrophobicContact CD2-CE1 4.42Å; F79-Y158 AromaticContact CE2-CD1 3.65Å; F79-Y158 HydrophobicContact CE2-CD1 3.65Å; F79-Y158 HydrophobicContact CE2-CD2 4.39Å; F79-Y158 HydrophobicContact CE2-CE1 4.17Å; F79-Y158 AromaticContact CE2-CG 3.79Å; F79-Y158 HydrophobicContact CE2-CG 3.79Å; F79-Y158 HydrophobicContact CZ-CD1 4.42Å; F79-Y158 HydrophobicContact CZ-CG 4.29Å; Q81-Y158 WeakPolarHBondContact CA-OH 3.39Å; Q81-Y158 HydrophobicContact CB-CE2 3.84Å; Q81-Y158 HydrophobicContact CG-CD2 3.97Å; Q81-Y158 HydrophobicContact CG-CE2 3.46Å; Q81-Y158 VanDerWaalsContact CG-CE2 3.46Å; Q81-Y158 VanDerWaalsContact NE2-CE2 3.34Å; S82-Y158 PolarHBondContact N-OH 3.49Å; S82-Y158 PolarHBondContact OG-OH 2.9Å; S82-Y158 VanDerWaalsContact OG-OH 3.08Å; D156-Y158 VanDerWaalsContact C-CE2 3.5Å; D156-Y158 HydrophobicContact CB-CE2 4.47Å; D156-Y158 VanDerWaalsContact O-CD2 3.3Å; D156-Y158 WeakPolarHBondContact O-CD2 3.28Å; D156-Y158 VanDerWaalsContact O-CE2 3.27Å; D156-Y158 WeakPolarHBondContact O-CE2 3.48Å; D156-Y158 WeakPolarHBondContact OD1-CE2 3.22Å; D156-Y158 PolarHBondContact OD1-OH 3.3Å |
| 159 | F | 90.8 | Very high | 83.9 | Confident | 4 Ų | 4 | 27.7 Ų | 27.7 | 2% | 0.018 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 161.1 | 170.2 | -62.4 | -33.9 | 0 | 0 | 0 | 111.2 | L151 L153 I171 W172 D173 F180 A267 | L151-F159 HydrophobicContact CB-CB 4.2Å; L151-F159 HydrophobicContact CD1-CB 4.23Å; L151-F159 PolarHBondContact N-O 3.03Å; L151-F159 PolarHBondContact O-N 3.4Å; L151-F159 VanDerWaalsContact O-N 3.11Å; L153-F159 HydrophobicContact CD1-CB 3.95Å; L153-F159 HydrophobicContact CD1-CD1 4.46Å; L153-F159 HydrophobicContact CD1-CD2 3.39Å; L153-F159 HydrophobicContact CD1-CE2 3.95Å; L153-F159 HydrophobicContact CD1-CG 3.68Å; L153-F159 HydrophobicContact CD2-CD2 3.44Å; L153-F159 VanDerWaalsContact CD2-CD2 3.44Å; L153-F159 HydrophobicContact CD2-CE2 3.3Å; L153-F159 HydrophobicContact CD2-CG 4.5Å; L153-F159 HydrophobicContact CD2-CZ 4.28Å; L153-F159 HydrophobicContact CG-CD2 4.06Å; L153-F159 HydrophobicContact CG-CE2 4.29Å; F159-I171 HydrophobicContact CB-CG2 3.98Å; F159-I171 HydrophobicContact CD2-CG2 4.38Å; F159-I171 HydrophobicContact CG-CG2 4.33Å; F159-W172 WeakPolarHBondContact CA-O 3.39Å; F159-W172 WeakPolarHBondContact CB-O 3.47Å; F159-D173 HydrophobicContact CD1-CB 4.23Å; F159-D173 HydrophobicContact CE1-CB 4.01Å; F159-F180 HydrophobicContact CD1-CE1 4.25Å; F159-F180 HydrophobicContact CD2-CE1 4.13Å; F159-F180 HydrophobicContact CD2-CZ 4.02Å; F159-F180 HydrophobicContact CE1-CE1 4.24Å; F159-F180 HydrophobicContact CE2-CE1 4.13Å; F159-F180 AromaticContact CE2-CZ 3.85Å; F159-F180 HydrophobicContact CE2-CZ 3.85Å; F159-F180 HydrophobicContact CG-CE1 4.21Å; F159-F180 HydrophobicContact CZ-CE1 4.18Å; F159-F180 HydrophobicContact CZ-CZ 4.23Å; F159-A267 HydrophobicContact CD2-CB 4.29Å; F159-A267 HydrophobicContact CE2-CB 3.81Å; F159-A267 WeakPolarHBondContact CE2-O 3.34Å |
| 160 | L | 92.1 | Very high | 84 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 135.9 | 167.4 | -61 | 175.5 | 0 | 0 | 0 | 108.5 | T77 F79 A90 I98 V100 L117 I148 F150 I171 W172 L174 | T77-L160 HydrophobicContact CG2-CD2 4.09Å; F79-L160 HydrophobicContact CE1-CD2 4.05Å; A90-L160 HydrophobicContact CB-CD1 3.66Å; I98-L160 HydrophobicContact CG2-CD1 4.28Å; V100-L160 HydrophobicContact CG2-CD1 4.41Å; L117-L160 HydrophobicContact CD1-CD1 4.31Å; I148-L160 HydrophobicContact CG2-CB 4.35Å; I148-L160 HydrophobicContact CG2-CD2 4.29Å; F150-L160 HydrophobicContact CB-CD2 4.39Å; L160-I171 CarbonylContact O-C 3.55Å; L160-I171 WeakPolarHBondContact O-CA 3.31Å; L160-W172 HydrophobicContact CB-CB 4.21Å; L160-W172 PolarHBondContact N-O 3.24Å; L160-W172 PolarHBondContact O-N 3.48Å; L160-L174 HydrophobicContact CD1-CD2 3.78Å; L160-L174 HydrophobicContact CG-CD1 4.37Å; L160-L174 HydrophobicContact CG-CD2 4.07Å; L160-L174 HydrophobicContact CG-CG 4.33Å |
| 161 | A | 92.7 | Very high | 84.2 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 137.3 | 165.3 | 0 | 0 | 0 | 0 | 0 | 109 | I148 S149 L151 R170 I171 L216 | I148-A161 CarbonylContact C-O 3.57Å; I148-A161 WeakPolarHBondContact CA-O 3.38Å; S149-A161 PolarHBondContact N-O 3.1Å; S149-A161 PolarHBondContact O-N 2.99Å; L151-A161 HydrophobicContact CD1-CB 3.79Å; L151-A161 HydrophobicContact CD2-CB 4.39Å; L151-A161 HydrophobicContact CG-CB 4.16Å; A161-R170 CarbonylContact C-O 3.59Å; A161-R170 VanDerWaalsContact CA-O 3.31Å; A161-R170 WeakPolarHBondContact CA-O 3.28Å; A161-I171 HydrophobicContact CB-CG1 4.46Å; A161-L216 HydrophobicContact CB-CD2 3.7Å; A161-L216 VanDerWaalsContact O-CD2 3.27Å; A161-L216 WeakPolarHBondContact O-CD2 3.26Å |
| 162 | T | 93.6 | Very high | 84.5 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 138.7 | 177.3 | 64.9 | 0 | 0 | 0 | 0 | 110.8 | I98 P145 D147 I148 L169 R170 W172 | I98-T162 HydrophobicContact CD1-CG2 3.55Å; P145-T162 HydrophobicContact CB-CG2 4.27Å; D147-T162 VanDerWaalsContact O-CA 3.26Å; D147-T162 WeakPolarHBondContact O-CA 3.26Å; I148-T162 HydrophobicContact CB-CG2 4.15Å; I148-T162 HydrophobicContact CD1-CG2 4.11Å; I148-T162 HydrophobicContact CG1-CG2 3.66Å; I148-T162 HydrophobicContact CG2-CG2 3.92Å; T162-L169 CarbonylContact O-C 3.58Å; T162-L169 WeakPolarHBondContact O-CA 3.3Å; T162-R170 PolarHBondContact N-O 2.89Å; T162-R170 PolarHBondContact O-N 3.25Å; T162-W172 PolarHBondContact OG1-NE1 3.44Å |
| 163 | I | 92 | Very high | 84.8 | Confident | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 128.3 | 164.2 | -177.4 | 51.9 | 0 | 0 | 0 | 108.4 | L146 D147 R168 L185 H214 L216 V230 | L146-I163 WeakPolarHBondContact CB-O 3.42Å; L146-I163 PolarHBondContact N-O 3.2Å; D147-I163 HydrophobicContact CB-CG2 3.67Å; D147-I163 PolarHBondContact N-O 3.47Å; D147-I163 PolarHBondContact O-N 3.2Å; I163-R168 WeakPolarHBondContact CD1-O 3.41Å; I163-L185 HydrophobicContact CD1-CD1 3.42Å; I163-L185 VanDerWaalsContact CD1-CD1 3.42Å; I163-H214 HydrophobicContact CB-CB 4.36Å; I163-H214 HydrophobicContact CG1-CB 3.46Å; I163-H214 VanDerWaalsContact CG1-CB 3.46Å; I163-H214 HydrophobicContact CG2-CB 3.92Å; I163-L216 HydrophobicContact CB-CB 4.5Å; I163-L216 HydrophobicContact CG2-CB 3.89Å; I163-V230 HydrophobicContact CG1-CG1 4.37Å |
| 164 | C | 90.2 | Very high | 85.4 | Confident | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 165.4 | -172.4 | -67.2 | 0 | 0 | 0 | 0 | 112.2 | S143 S144 D166 H167 R168 R170 | S143-C164 PolarHBondContact O-SG 3.27Å; S144-C164 WeakPolarHBondContact O-CA 3.46Å; C164-D166 WeakPolarHBondContact CB-OD1 3.41Å; C164-D166 PolarHBondContact O-N 3.27Å; C164-H167 PolarHBondContact O-N 3.09Å; C164-H167 VanDerWaalsContact O-N 3.08Å; C164-R168 PolarHBondContact N-O 3.49Å; C164-R170 PolarHBondContact SG-NH1 3.33Å |
| 165 | K | 85.1 | Confident | 86.1 | Confident | 28 Ų | 28 | 25.8 Ų | 25.8 | 12% | 0.122 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -33.3 | 179.2 | -88.6 | -166.2 | -166.3 | 178.9 | 0 | 114.1 | S142 S144 L146 H167 P210 G211 L212 | S142-K165 CarbonylContact O-C 3.58Å; S142-K165 WeakPolarHBondContact O-CB 3.25Å; S144-K165 PolarHBondContact O-N 2.64Å; S144-K165 WeakPolarHBondContact OG-CD 3.48Å; S144-K165 WeakPolarHBondContact OG-CE 3.28Å; S144-K165 VanDerWaalsContact OG-CG 3.27Å; S144-K165 WeakPolarHBondContact OG-CG 3.24Å; L146-K165 HydrophobicContact CD1-CB 4.32Å; L146-K165 HydrophobicContact CD1-CG 3.74Å; L146-K165 HydrophobicContact CD2-CD 4.33Å; L146-K165 HydrophobicContact CD2-CG 3.52Å; L146-K165 HydrophobicContact CG-CB 4.44Å; L146-K165 HydrophobicContact CG-CG 3.62Å; K165-H167 PolarHBondContact O-N 3.48Å; K165-H167 VanDerWaalsContact O-N 3.17Å; K165-P210 HydrophobicContact CB-CB 4Å; K165-P210 HydrophobicContact CD-CB 4.26Å; K165-P210 HydrophobicContact CG-CB 4.32Å; K165-P210 CarbonylContact O-C 3.53Å; K165-P210 VanDerWaalsContact O-CA 3.24Å; K165-P210 WeakPolarHBondContact O-CA 3.22Å; K165-G211 PolarHBondContact O-N 3.44Å; K165-L212 HydrophobicContact CD-CD2 4.2Å; K165-L212 HydrophobicContact CG-CD2 4.49Å |
| 166 | D | 85.3 | Confident | 87.2 | Confident | 22 Ų | 22 | 25.6 Ų | 25.6 | 12% | 0.118 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | 23.6 | 174.6 | 65.3 | -12.1 | 0 | 0 | 0 | 113.6 | S142 C164 R168 R170 H205 | S142-D166 WeakPolarHBondContact O-CB 3.34Å; S142-D166 PolarHBondContact O-N 3.5Å; C164-D166 WeakPolarHBondContact CB-OD1 3.41Å; C164-D166 PolarHBondContact O-N 3.27Å; D166-R168 PolarHBondContact O-N 2.87Å; D166-R168 PolarHBondContact OD1-N 3.26Å; D166-R170 IonicContact OD1-CZ 3.27Å; D166-R170 IonicContact OD1-NH1 3.83Å; D166-R170 PolarHBondContact OD1-NH1 3.23Å; D166-R170 IonicContact OD1-NH2 2.59Å; D166-R170 IonicContact OD2-CZ 3.56Å; D166-R170 IonicContact OD2-NH1 3.81Å; D166-R170 PolarHBondContact OD2-NH1 3.48Å; D166-R170 IonicContact OD2-NH2 3.51Å; D166-R170 PolarHBondContact OD2-NH2 2.76Å; D166-H205 PolarHBondContact O-CE1 3.12Å; D166-H205 PolarHBondContact O-ND1 3.35Å |
| 167 | H | 87.2 | Confident | 88.1 | Confident | 3 Ų | 3 | 27.4 Ų | 27.4 | 1% | 0.014 | 12% | 0.117 | C | C | . | . | S | Bend | trans | 59.5 | 17.5 | 176.3 | -46.2 | -81.1 | 0 | 0 | 0 | 115.1 | C164 K165 L185 L186 S209 G211 H214 L232 L234 | C164-H167 PolarHBondContact O-N 3.09Å; C164-H167 VanDerWaalsContact O-N 3.08Å; K165-H167 PolarHBondContact O-N 3.48Å; K165-H167 VanDerWaalsContact O-N 3.17Å; H167-L185 WeakPolarHBondContact O-CB 3.49Å; H167-L185 WeakPolarHBondContact O-CG 3.28Å; H167-L185 PolarHBondContact O-N 3.35Å; H167-L186 HydrophobicContact CB-CD1 4.31Å; H167-L186 HydrophobicContact CB-CD2 4.08Å; H167-L186 HydrophobicContact CB-CG 3.93Å; H167-S209 PolarHBondContact CE1-O 3.08Å; H167-S209 PolarHBondContact NE2-O 3.05Å; H167-G211 PolarHBondContact CE1-N 3.36Å; H167-G211 VanDerWaalsContact CE1-N 3.25Å; H167-H214 AromaticContact CE1-NE2 3.69Å; H167-H214 AromaticContact CG-NE2 3.93Å; H167-H214 AromaticContact ND1-CE1 3.45Å; H167-H214 PolarHBondContact ND1-CE1 3.05Å; H167-H214 AromaticContact ND1-NE2 3.03Å; H167-H214 PolarHBondContact ND1-NE2 3.08Å; H167-L232 HydrophobicContact CB-CD1 4.48Å; H167-L234 WeakPolarHBondContact ND1-CD2 3.3Å |
| 168 | R | 90.4 | Very high | 88.5 | Confident | 86 Ų | 86 | 25.9 Ų | 25.9 | 33% | 0.325 | 11% | 0.114 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 133.3 | 179.1 | -72.9 | 174.9 | 173 | -174.6 | -3.9 | 111.7 | I163 C164 D166 L183 D184 | I163-R168 WeakPolarHBondContact CD1-O 3.41Å; C164-R168 PolarHBondContact N-O 3.49Å; D166-R168 PolarHBondContact O-N 2.87Å; D166-R168 PolarHBondContact OD1-N 3.26Å; R168-L183 CarbonylContact C-O 3.44Å; R168-L183 WeakPolarHBondContact CA-O 3.46Å; R168-D184 HydrophobicContact CG-CB 4.44Å; R168-D184 IonicContact CZ-OD2 3.75Å; R168-D184 IonicContact NE-OD2 3.13Å; R168-D184 PolarHBondContact NE-OD2 2.89Å; R168-D184 IonicContact NH2-OD2 3.83Å; R168-D184 PolarHBondContact NH2-OD2 3.42Å |
| 169 | L | 92 | Very high | 88.7 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 121.6 | 167.4 | 180 | 70.1 | 0 | 0 | 0 | 108.6 | T162 A182 L183 L185 L216 L228 V230 M260 L275 | T162-L169 CarbonylContact O-C 3.58Å; T162-L169 WeakPolarHBondContact O-CA 3.3Å; L169-A182 CarbonylContact O-C 3.53Å; L169-A182 WeakPolarHBondContact O-CA 3.28Å; L169-L183 HydrophobicContact CB-CB 4.48Å; L169-L183 PolarHBondContact N-O 3.15Å; L169-L183 PolarHBondContact O-N 3.29Å; L169-L185 HydrophobicContact CB-CD1 4.33Å; L169-L185 HydrophobicContact CB-CD2 4.09Å; L169-L185 HydrophobicContact CB-CG 4.24Å; L169-L216 HydrophobicContact CD1-CD1 4.03Å; L169-L216 HydrophobicContact CD1-CD2 4.04Å; L169-L228 HydrophobicContact CD2-CD1 4.2Å; L169-V230 HydrophobicContact CD1-CG2 4.31Å; L169-M260 HydrophobicContact CD2-SD 3.52Å; L169-M260 VanDerWaalsContact CD2-SD 3.52Å; L169-L275 HydrophobicContact CD2-CD1 4.09Å |
| 170 | R | 91.9 | Very high | 88.5 | Confident | 4 Ų | 4 | 26.9 Ų | 26.9 | 2% | 0.015 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 138.9 | 179.8 | -65.4 | 176.2 | 172.4 | 76.2 | -1.6 | 110.7 | Q119 A161 T162 C164 D166 W172 V181 A182 | Q119-R170 VanDerWaalsContact OE1-NH2 3.15Å; A161-R170 CarbonylContact C-O 3.59Å; A161-R170 VanDerWaalsContact CA-O 3.31Å; A161-R170 WeakPolarHBondContact CA-O 3.28Å; T162-R170 PolarHBondContact N-O 2.89Å; T162-R170 PolarHBondContact O-N 3.25Å; C164-R170 PolarHBondContact SG-NH1 3.33Å; D166-R170 IonicContact OD1-CZ 3.27Å; D166-R170 IonicContact OD1-NH1 3.83Å; D166-R170 PolarHBondContact OD1-NH1 3.23Å; D166-R170 IonicContact OD1-NH2 2.59Å; D166-R170 IonicContact OD2-CZ 3.56Å; D166-R170 IonicContact OD2-NH1 3.81Å; D166-R170 PolarHBondContact OD2-NH1 3.48Å; D166-R170 IonicContact OD2-NH2 3.51Å; D166-R170 PolarHBondContact OD2-NH2 2.76Å; R170-W172 HydrophobicContact CB-CZ2 4.13Å; R170-V181 CarbonylContact C-O 3.52Å; R170-V181 VanDerWaalsContact CA-O 3.27Å; R170-V181 WeakPolarHBondContact CA-O 3.33Å; R170-A182 HydrophobicContact CG-CB 4.15Å |
| 171 | I | 92.4 | Very high | 88.3 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 129 | 170.6 | -52.8 | -176.1 | 0 | 0 | 0 | 109.4 | L151 F159 L160 A161 F180 V181 L262 L275 | L151-I171 HydrophobicContact CD1-CG2 4.23Å; F159-I171 HydrophobicContact CB-CG2 3.98Å; F159-I171 HydrophobicContact CD2-CG2 4.38Å; F159-I171 HydrophobicContact CG-CG2 4.33Å; L160-I171 CarbonylContact O-C 3.55Å; L160-I171 WeakPolarHBondContact O-CA 3.31Å; A161-I171 HydrophobicContact CB-CG1 4.46Å; I171-F180 HydrophobicContact CB-CE1 4.07Å; I171-F180 HydrophobicContact CB-CZ 4.17Å; I171-F180 HydrophobicContact CG2-CD1 4.44Å; I171-F180 HydrophobicContact CG2-CE1 3.48Å; I171-F180 VanDerWaalsContact CG2-CE1 3.48Å; I171-F180 HydrophobicContact CG2-CZ 3.63Å; I171-F180 WeakPolarHBondContact O-CD1 3.29Å; I171-F180 PolarHBondContact O-N 3.16Å; I171-F180 VanDerWaalsContact O-N 3.07Å; I171-V181 HydrophobicContact CB-CB 4.16Å; I171-V181 HydrophobicContact CG1-CB 4.32Å; I171-V181 PolarHBondContact N-O 3.33Å; I171-L262 HydrophobicContact CD1-CD1 3.65Å; I171-L262 HydrophobicContact CD1-CD2 4.28Å; I171-L275 HydrophobicContact CD1-CD1 3.44Å; I171-L275 VanDerWaalsContact CD1-CD1 3.44Å; I171-L275 HydrophobicContact CD1-CD2 4.11Å; I171-L275 HydrophobicContact CD1-CG 3.72Å; I171-L275 HydrophobicContact CG1-CD1 4.03Å |
| 172 | W | 91.3 | Very high | 88.1 | Confident | 1 Ų | 1 | 29.8 Ų | 29.8 | 0% | 0.004 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 133.5 | -172.4 | -53.4 | 83.6 | 0 | 0 | 0 | 111.1 | I98 L117 Q119 F159 L160 T162 R170 C179 | I98-W172 HydrophobicContact CD1-CD2 3.68Å; I98-W172 VanDerWaalsContact CD1-CE2 3.48Å; I98-W172 HydrophobicContact CD1-CE3 4.36Å; I98-W172 HydrophobicContact CD1-CG 3.8Å; I98-W172 HydrophobicContact CD1-CZ2 4.01Å; L117-W172 HydrophobicContact CB-CE3 3.93Å; L117-W172 HydrophobicContact CB-CZ3 4.17Å; L117-W172 HydrophobicContact CD1-CB 4.15Å; Q119-W172 HydrophobicContact CB-CH2 4.34Å; F159-W172 WeakPolarHBondContact CA-O 3.39Å; F159-W172 WeakPolarHBondContact CB-O 3.47Å; L160-W172 HydrophobicContact CB-CB 4.21Å; L160-W172 PolarHBondContact N-O 3.24Å; L160-W172 PolarHBondContact O-N 3.48Å; T162-W172 PolarHBondContact OG1-NE1 3.44Å; R170-W172 HydrophobicContact CB-CZ2 4.13Å; W172-C179 HydrophobicContact CD2-CB 4.03Å; W172-C179 HydrophobicContact CE3-CB 3.58Å; W172-C179 HydrophobicContact CH2-CB 4.06Å; W172-C179 HydrophobicContact CZ2-CB 4.45Å; W172-C179 HydrophobicContact CZ3-CB 3.6Å |
| 173 | D | 87.8 | Confident | 88 | Confident | 5 Ų | 5 | 31.7 Ų | 31.7 | 3% | 0.027 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 115.8 | 176.2 | -169.7 | -36 | 0 | 0 | 0 | 110.5 | F159 K175 H176 R177 S178 F180 R270 | F159-D173 HydrophobicContact CD1-CB 4.23Å; F159-D173 HydrophobicContact CE1-CB 4.01Å; D173-K175 VanDerWaalsContact C-N 3.33Å; D173-K175 WeakPolarHBondContact OD1-CA 3.32Å; D173-K175 VanDerWaalsContact OD1-CB 3.28Å; D173-K175 WeakPolarHBondContact OD1-CB 3.43Å; D173-K175 PolarHBondContact OD1-N 3.09Å; D173-H176 HydrophobicContact CB-CB 4.25Å; D173-H176 IonicContact OD1-CD2 2.78Å; D173-H176 PolarHBondContact OD1-N 3.03Å; D173-H176 IonicContact OD2-CD2 2.74Å; D173-H176 PolarHBondContact OD2-CD2 3.29Å; D173-H176 IonicContact OD2-CG 3.59Å; D173-R177 VanDerWaalsContact O-CA 3.26Å; D173-R177 WeakPolarHBondContact O-CA 3.15Å; D173-R177 PolarHBondContact O-N 2.96Å; D173-S178 WeakPolarHBondContact CB-O 3.3Å; D173-S178 PolarHBondContact N-O 3.24Å; D173-S178 PolarHBondContact O-N 3.24Å; D173-F180 HydrophobicContact CB-CD1 3.96Å; D173-F180 HydrophobicContact CB-CE1 4.33Å; D173-R270 IonicContact OD2-NE 3.43Å |
| 174 | L | 85.8 | Confident | 87.8 | Confident | 3 Ų | 3 | 32.2 Ų | 32.2 | 2% | 0.016 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -24.5 | 179.1 | -67.2 | -178.2 | 0 | 0 | 0 | 113.4 | F79 V100 R102 L117 L160 | F79-L174 HydrophobicContact CE1-CD1 4.29Å; F79-L174 HydrophobicContact CZ-CD1 3.73Å; V100-L174 HydrophobicContact CG1-CD2 4.32Å; V100-L174 HydrophobicContact CG2-CD2 4Å; R102-L174 PolarHBondContact NH2-O 3.44Å; L117-L174 HydrophobicContact CD1-CD2 3.91Å; L160-L174 HydrophobicContact CD1-CD2 3.78Å; L160-L174 HydrophobicContact CG-CD1 4.37Å; L160-L174 HydrophobicContact CG-CD2 4.07Å; L160-L174 HydrophobicContact CG-CG 4.33Å |
| 175 | K | 82.8 | Confident | 87.6 | Confident | 140 Ų | 140 | 32.2 Ų | 32.2 | 61% | 0.609 | 16% | 0.157 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -46.1 | 179.8 | -175.2 | 179.9 | -175.2 | 177.3 | 0 | 110 | E157 D173 | E157-K175 IonicContact OE1-NZ 3.75Å; E157-K175 PolarHBondContact OE1-NZ 3.47Å; D173-K175 VanDerWaalsContact C-N 3.33Å; D173-K175 WeakPolarHBondContact OD1-CA 3.32Å; D173-K175 VanDerWaalsContact OD1-CB 3.28Å; D173-K175 WeakPolarHBondContact OD1-CB 3.43Å; D173-K175 PolarHBondContact OD1-N 3.09Å |
| 176 | H | 82.3 | Confident | 87.6 | Confident | 102 Ų | 102 | 31.8 Ų | 31.8 | 47% | 0.472 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | -4.1 | -179.8 | -68.9 | -63.9 | 0 | 0 | 0 | 114.6 | D173 S178 | D173-H176 HydrophobicContact CB-CB 4.25Å; D173-H176 IonicContact OD1-CD2 2.78Å; D173-H176 PolarHBondContact OD1-N 3.03Å; D173-H176 IonicContact OD2-CD2 2.74Å; D173-H176 PolarHBondContact OD2-CD2 3.29Å; D173-H176 IonicContact OD2-CG 3.59Å; H176-S178 VanDerWaalsContact C-N 3.27Å; H176-S178 PolarHBondContact O-N 2.84Å |
| 177 | R | 85.4 | Confident | 87.4 | Confident | 100 Ų | 100 | 37.1 Ų | 37.1 | 38% | 0.377 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.9 | 38.5 | 179.1 | -54.7 | -175.1 | -168.2 | -169.8 | 2.6 | 114.3 | E113 F115 L117 D173 | E113-R177 IonicContact OE1-CZ 2.6Å; E113-R177 IonicContact OE1-NH1 3.95Å; E113-R177 IonicContact OE1-NH2 3.21Å; E113-R177 PolarHBondContact OE1-NH2 2.99Å; E113-R177 IonicContact OE2-NH2 3.93Å; F115-R177 HydrophobicContact CD2-CG 3.96Å; F115-R177 HydrophobicContact CE2-CG 3.99Å; L117-R177 HydrophobicContact CD2-CB 3.82Å; L117-R177 HydrophobicContact CD2-CG 4.31Å; D173-R177 VanDerWaalsContact O-CA 3.26Å; D173-R177 WeakPolarHBondContact O-CA 3.15Å; D173-R177 PolarHBondContact O-N 2.96Å |
| 178 | S | 83.8 | Confident | 86.9 | Confident | 30 Ų | 30 | 38.3 Ų | 38.3 | 21% | 0.21 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 147.9 | -174 | 64.1 | 0 | 0 | 0 | 0 | 111.8 | D173 H176 R270 | D173-S178 WeakPolarHBondContact CB-O 3.3Å; D173-S178 PolarHBondContact N-O 3.24Å; D173-S178 PolarHBondContact O-N 3.24Å; H176-S178 VanDerWaalsContact C-N 3.27Å; H176-S178 PolarHBondContact O-N 2.84Å; S178-R270 PolarHBondContact OG-NH2 3.46Å |
| 179 | C | 87 | Confident | 86.2 | Confident | 24 Ų | 24 | 35.1 Ų | 35.1 | 16% | 0.162 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 128.9 | 164.5 | -177.8 | 0 | 0 | 0 | 0 | 109.3 | Q119 W172 V181 | Q119-C179 HydrophobicContact CG-CB 4.48Å; W172-C179 HydrophobicContact CD2-CB 4.03Å; W172-C179 HydrophobicContact CE3-CB 3.58Å; W172-C179 HydrophobicContact CH2-CB 4.06Å; W172-C179 HydrophobicContact CZ2-CB 4.45Å; W172-C179 HydrophobicContact CZ3-CB 3.6Å; C179-V181 PolarHBondContact SG-O 2.95Å |
| 180 | F | 87.6 | Confident | 84.8 | Confident | 17 Ų | 17 | 37.5 Ų | 37.5 | 8% | 0.075 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | -22.2 | 178.8 | 74.3 | -85.3 | 0 | 0 | 0 | 113.7 | F159 I171 D173 R270 | F159-F180 HydrophobicContact CD1-CE1 4.25Å; F159-F180 HydrophobicContact CD2-CE1 4.13Å; F159-F180 HydrophobicContact CD2-CZ 4.02Å; F159-F180 HydrophobicContact CE1-CE1 4.24Å; F159-F180 HydrophobicContact CE2-CE1 4.13Å; F159-F180 AromaticContact CE2-CZ 3.85Å; F159-F180 HydrophobicContact CE2-CZ 3.85Å; F159-F180 HydrophobicContact CG-CE1 4.21Å; F159-F180 HydrophobicContact CZ-CE1 4.18Å; F159-F180 HydrophobicContact CZ-CZ 4.23Å; I171-F180 HydrophobicContact CB-CE1 4.07Å; I171-F180 HydrophobicContact CB-CZ 4.17Å; I171-F180 HydrophobicContact CG2-CD1 4.44Å; I171-F180 HydrophobicContact CG2-CE1 3.48Å; I171-F180 VanDerWaalsContact CG2-CE1 3.48Å; I171-F180 HydrophobicContact CG2-CZ 3.63Å; I171-F180 WeakPolarHBondContact O-CD1 3.29Å; I171-F180 PolarHBondContact O-N 3.16Å; I171-F180 VanDerWaalsContact O-N 3.07Å; D173-F180 HydrophobicContact CB-CD1 3.96Å; D173-F180 HydrophobicContact CB-CE1 4.33Å; F180-R270 HydrophobicContact CD2-CB 4.2Å |
| 181 | V | 88.6 | Confident | 83 | Confident | 9 Ų | 9 | 46.5 Ų | 46.5 | 6% | 0.055 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 131.5 | 169.2 | -178.6 | 0 | 0 | 0 | 0 | 109.4 | R170 I171 C179 L275 | R170-V181 CarbonylContact C-O 3.52Å; R170-V181 VanDerWaalsContact CA-O 3.27Å; R170-V181 WeakPolarHBondContact CA-O 3.33Å; I171-V181 HydrophobicContact CB-CB 4.16Å; I171-V181 HydrophobicContact CG1-CB 4.32Å; I171-V181 PolarHBondContact N-O 3.33Å; C179-V181 PolarHBondContact SG-O 2.95Å; V181-L275 HydrophobicContact CG1-CD1 3.71Å |
| 182 | A | 88.7 | Confident | 80.8 | Confident | 52 Ų | 52 | 51.4 Ų | 51.4 | 43% | 0.43 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 110.9 | 166 | 0 | 0 | 0 | 0 | 0 | 107.3 | L169 R170 | L169-A182 CarbonylContact O-C 3.53Å; L169-A182 WeakPolarHBondContact O-CA 3.28Å; R170-A182 HydrophobicContact CG-CB 4.15Å |
| 183 | L | 89.7 | Confident | 78.8 | Confident | 39 Ų | 39 | 55.1 Ų | 55.1 | 20% | 0.204 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 124.9 | 179.6 | 179.1 | 63.7 | 0 | 0 | 0 | 108.9 | R168 L169 L185 V188 M260 L275 V277 | R168-L183 CarbonylContact C-O 3.44Å; R168-L183 WeakPolarHBondContact CA-O 3.46Å; L169-L183 HydrophobicContact CB-CB 4.48Å; L169-L183 PolarHBondContact N-O 3.15Å; L169-L183 PolarHBondContact O-N 3.29Å; L183-L185 HydrophobicContact CD2-CD2 4.39Å; L183-L185 PolarHBondContact O-N 2.59Å; L183-V188 HydrophobicContact CD1-CG2 4.05Å; L183-V188 HydrophobicContact CD2-CG2 4.3Å; L183-V188 HydrophobicContact CG-CG2 4.21Å; L183-M260 HydrophobicContact CD2-CE 3.44Å; L183-M260 VanDerWaalsContact CD2-CE 3.44Å; L183-M260 HydrophobicContact CD2-SD 3.68Å; L183-L275 HydrophobicContact CD2-CD1 4.49Å; L183-V277 HydrophobicContact CD2-CG2 4.43Å |
| 184 | D | 88 | Confident | 76.6 | Confident | 11 Ų | 11 | 62.6 Ų | 62.6 | 6% | 0.059 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 109.5 | 175.1 | -152.2 | -42.6 | 0 | 0 | 0 | 109.9 | R168 L186 E187 H205 | R168-D184 HydrophobicContact CG-CB 4.44Å; R168-D184 IonicContact CZ-OD2 3.75Å; R168-D184 IonicContact NE-OD2 3.13Å; R168-D184 PolarHBondContact NE-OD2 2.89Å; R168-D184 IonicContact NH2-OD2 3.83Å; R168-D184 PolarHBondContact NH2-OD2 3.42Å; D184-L186 PolarHBondContact O-N 2.89Å; D184-L186 PolarHBondContact OD1-N 2.97Å; D184-E187 HydrophobicContact CB-CB 4.34Å; D184-E187 HydrophobicContact CB-CG 3.92Å; D184-E187 PolarHBondContact O-N 3.13Å; D184-H205 VanDerWaalsContact CG-NE2 3.27Å; D184-H205 IonicContact OD1-CE1 3.72Å; D184-H205 PolarHBondContact OD1-CE1 3.19Å; D184-H205 IonicContact OD1-NE2 2.93Å; D184-H205 PolarHBondContact OD1-NE2 2.93Å; D184-H205 VanDerWaalsContact OD1-NE2 3.11Å; D184-H205 IonicContact OD2-CD2 2.87Å; D184-H205 IonicContact OD2-CE1 3.15Å; D184-H205 IonicContact OD2-NE2 3.03Å; D184-H205 PolarHBondContact OD2-NE2 3.15Å |
| 185 | L | 87.6 | Confident | 74.7 | Confident | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72 | -19.6 | -175.8 | -61.5 | 177.9 | 0 | 0 | 0 | 112.1 | I163 H167 L169 L183 E187 V188 L189 V230 L232 M260 | I163-L185 HydrophobicContact CD1-CD1 3.42Å; I163-L185 VanDerWaalsContact CD1-CD1 3.42Å; H167-L185 WeakPolarHBondContact O-CB 3.49Å; H167-L185 WeakPolarHBondContact O-CG 3.28Å; H167-L185 PolarHBondContact O-N 3.35Å; L169-L185 HydrophobicContact CB-CD1 4.33Å; L169-L185 HydrophobicContact CB-CD2 4.09Å; L169-L185 HydrophobicContact CB-CG 4.24Å; L183-L185 HydrophobicContact CD2-CD2 4.39Å; L183-L185 PolarHBondContact O-N 2.59Å; L185-E187 VanDerWaalsContact C-N 3.32Å; L185-V188 WeakPolarHBondContact O-CB 3.31Å; L185-V188 PolarHBondContact O-N 3.44Å; L185-L189 WeakPolarHBondContact O-CG 3.21Å; L185-V230 HydrophobicContact CD1-CG1 3.88Å; L185-L232 HydrophobicContact CB-CD1 4.15Å; L185-L232 HydrophobicContact CB-CD2 4.15Å; L185-L232 HydrophobicContact CD1-CD1 3.79Å; L185-M260 HydrophobicContact CD2-CE 3.25Å; L185-M260 HydrophobicContact CD2-SD 4.39Å |
| 186 | L | 83.9 | Confident | 72.6 | Confident | 19 Ų | 19 | 64.9 Ų | 64.9 | 10% | 0.099 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -32.8 | 175.5 | -59 | -177.1 | 0 | 0 | 0 | 111.5 | H167 D184 V188 L189 F208 L234 | H167-L186 HydrophobicContact CB-CD1 4.31Å; H167-L186 HydrophobicContact CB-CD2 4.08Å; H167-L186 HydrophobicContact CB-CG 3.93Å; D184-L186 PolarHBondContact O-N 2.89Å; D184-L186 PolarHBondContact OD1-N 2.97Å; L186-V188 PolarHBondContact O-N 3.19Å; L186-L189 HydrophobicContact CD2-CD1 4.12Å; L186-L189 PolarHBondContact O-N 3.44Å; L186-F208 HydrophobicContact CD1-CD2 4.11Å; L186-F208 HydrophobicContact CD2-CD2 4.02Å; L186-F208 HydrophobicContact CD2-CE2 4.33Å; L186-L234 HydrophobicContact CD2-CD1 3.88Å; L186-L234 HydrophobicContact CD2-CD2 3.66Å; L186-L234 HydrophobicContact CD2-CG 4.45Å |
| 187 | E | 80.8 | Confident | 71 | Confident | 134 Ų | 134 | 66.1 Ų | 66.1 | 63% | 0.626 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | -19.7 | 175.1 | -65.7 | -179.1 | 173.8 | 0 | 0 | 112.9 | D184 L185 | D184-E187 HydrophobicContact CB-CB 4.34Å; D184-E187 HydrophobicContact CB-CG 3.92Å; D184-E187 PolarHBondContact O-N 3.13Å; L185-E187 VanDerWaalsContact C-N 3.32Å |
| 188 | V | 77.4 | Confident | 69.1 | Low | 29 Ų | 29 | 67.6 Ų | 67.6 | 18% | 0.176 | 38% | 0.377 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -16.5 | -178 | 172.2 | 0 | 0 | 0 | 0 | 112 | L183 L185 L186 M260 V277 V280 | L183-V188 HydrophobicContact CD1-CG2 4.05Å; L183-V188 HydrophobicContact CD2-CG2 4.3Å; L183-V188 HydrophobicContact CG-CG2 4.21Å; L185-V188 WeakPolarHBondContact O-CB 3.31Å; L185-V188 PolarHBondContact O-N 3.44Å; L186-V188 PolarHBondContact O-N 3.19Å; V188-M260 HydrophobicContact CG1-CE 4.34Å; V188-V277 HydrophobicContact CB-CG2 4.48Å; V188-V277 HydrophobicContact CG1-CB 4.21Å; V188-V277 HydrophobicContact CG1-CG1 3.56Å; V188-V277 HydrophobicContact CG1-CG2 3.68Å; V188-V277 HydrophobicContact CG2-CG2 3.91Å; V188-V280 HydrophobicContact CG1-CG2 3.45Å; V188-V280 VanDerWaalsContact CG1-CG2 3.45Å |
| 189 | L | 75.6 | Confident | 67.5 | Low | 19 Ų | 19 | 71.3 Ų | 71.3 | 10% | 0.099 | 39% | 0.387 | C | S | . | . | S | Bend | trans | -68.2 | 149 | -177.5 | -60.4 | 176.2 | 0 | 0 | 0 | 111.9 | L185 L186 K191 L232 L234 Y256 V280 | L185-L189 WeakPolarHBondContact O-CG 3.21Å; L186-L189 HydrophobicContact CD2-CD1 4.12Å; L186-L189 PolarHBondContact O-N 3.44Å; L189-K191 PolarHBondContact O-N 3.41Å; L189-L232 HydrophobicContact CD1-CD2 4.5Å; L189-L232 HydrophobicContact CD2-CD2 3.95Å; L189-L234 HydrophobicContact CD1-CD1 3.52Å; L189-Y256 HydrophobicContact CD1-CD2 4.39Å; L189-Y256 HydrophobicContact CD1-CE2 4.02Å; L189-Y256 HydrophobicContact CD2-CD1 3.77Å; L189-Y256 HydrophobicContact CD2-CD2 3.56Å; L189-Y256 HydrophobicContact CD2-CE1 4.01Å; L189-Y256 HydrophobicContact CD2-CE2 3.81Å; L189-Y256 HydrophobicContact CD2-CG 3.54Å; L189-Y256 HydrophobicContact CG-CE2 4.49Å; L189-V280 HydrophobicContact CD2-CG1 4.05Å |
| 190 | P | 61.9 | Low | 66 | Low | 50 Ų | 50 | 75.5 Ų | 75.5 | 33% | 0.325 | 41% | 0.408 | S | S | . | . | trans | -54.5 | 140 | 171 | -20.7 | 31.1 | 0 | 0 | 0 | 110.9 | T192 | P190-T192 HydrophobicContact CB-CG2 4.16Å; P190-T192 PolarHBondContact O-N 3.22Å; P190-T192 PolarHBondContact O-OG1 2.94Å | ||
| 191 | K | 53.6 | Low | 64.3 | Low | 193 Ų | 193 | 78.5 Ų | 78.5 | 84% | 0.839 | 43% | 0.429 | S | S | * | . | S | Bend | trans | -66.2 | 26 | 178.3 | -65.1 | -172 | 176.3 | -173.6 | 0 | 114.6 | L189 F193 | L189-K191 PolarHBondContact O-N 3.41Å; K191-F193 CarbonylContact O-C 3.56Å; K191-F193 PolarHBondContact O-N 3.01Å |
| 192 | T | 48 | Very low | 62.8 | Low | 103 Ų | 103 | 81.8 Ų | 81.8 | 63% | 0.632 | 45% | 0.452 | S | S | * | . | trans | -63.2 | -10.2 | -180 | 46.5 | 0 | 0 | 0 | 0 | 113.6 | P190 D194 | P190-T192 HydrophobicContact CB-CG2 4.16Å; P190-T192 PolarHBondContact O-N 3.22Å; P190-T192 PolarHBondContact O-OG1 2.94Å; T192-D194 PolarHBondContact O-N 3.07Å | ||
| 193 | F | 49.2 | Very low | 61.6 | Low | 78 Ų | 78 | 80.6 Ų | 80.6 | 34% | 0.342 | 44% | 0.442 | S | S | . | . | S | Bend | trans | -87.6 | 91.6 | 161.8 | -56.8 | -82.4 | 0 | 0 | 0 | 107.8 | K191 L195 F208 | K191-F193 CarbonylContact O-C 3.56Å; K191-F193 PolarHBondContact O-N 3.01Å; F193-L195 HydrophobicContact CB-CD1 3.94Å; F193-L195 HydrophobicContact CB-CG 4.44Å; F193-L195 PolarHBondContact O-N 2.98Å; F193-F208 HydrophobicContact CE2-CZ 4.5Å; F193-F208 HydrophobicContact CZ-CZ 4.18Å |
| 194 | D | 40.9 | Very low | 60.4 | Low | 162 Ų | 162 | 80.4 Ų | 80.4 | 87% | 0.866 | 44% | 0.444 | S | S | * | . | trans | -67.3 | 68.9 | 168.9 | -90.9 | -29.6 | 0 | 0 | 0 | 109.4 | T192 | T192-D194 PolarHBondContact O-N 3.07Š| ||
| 195 | L | 46.2 | Very low | 59.5 | Low | 60 Ų | 60 | 82.2 Ų | 82.2 | 31% | 0.314 | 45% | 0.452 | S | S | . | . | trans | -94.1 | 106.4 | 169.1 | -76.3 | 156.4 | 0 | 0 | 0 | 106 | F193 Y199 F244 | F193-L195 HydrophobicContact CB-CD1 3.94Å; F193-L195 HydrophobicContact CB-CG 4.44Å; F193-L195 PolarHBondContact O-N 2.98Å; L195-Y199 HydrophobicContact CB-CD2 4.16Å; L195-Y199 HydrophobicContact CB-CE2 4.48Å; L195-Y199 HydrophobicContact CD2-CD2 4.43Å; L195-Y199 HydrophobicContact CD2-CE2 3.91Å; L195-F244 HydrophobicContact CD2-CE1 4.36Å; L195-F244 HydrophobicContact CD2-CZ 4.16Å | ||
| 196 | D | 39 | Very low | 58.5 | Low | 131 Ų | 131 | 84.7 Ų | 84.7 | 70% | 0.701 | 47% | 0.47 | S | S | * | . | trans | -41.9 | 149.7 | -175 | -84.4 | -42.9 | 0 | 0 | 0 | 114.6 | T198 Y199 | D196-T198 PolarHBondContact O-N 3.41Å; D196-Y199 PolarHBondContact O-N 3.2Å | ||
| 197 | S | 47.8 | Very low | 57.6 | Low | 128 Ų | 128 | 85.7 Ų | 85.7 | 90% | 0.895 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.4 | 13.8 | -173 | 60.5 | 0 | 0 | 0 | 0 | 119.2 | ||
| 198 | T | 45.4 | Very low | 57.1 | Low | 131 Ų | 131 | 79.9 Ų | 79.9 | 80% | 0.804 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.4 | 4.2 | 176 | 52.5 | 0 | 0 | 0 | 0 | 114.1 | D196 | D196-T198 PolarHBondContact O-N 3.41Š|
| 199 | Y | 50.2 | Low | 56.6 | Low | 108 Ų | 108 | 80.1 Ų | 80.1 | 42% | 0.424 | 45% | 0.45 | S | S | . | . | trans | -79.9 | 125.6 | -178.7 | -104 | -88.1 | 0 | 0 | 0 | 114.1 | L195 D196 A203 | L195-Y199 HydrophobicContact CB-CD2 4.16Å; L195-Y199 HydrophobicContact CB-CE2 4.48Å; L195-Y199 HydrophobicContact CD2-CD2 4.43Å; L195-Y199 HydrophobicContact CD2-CE2 3.91Å; D196-Y199 PolarHBondContact O-N 3.2Å; Y199-A203 HydrophobicContact CD1-CB 3.77Å; Y199-A203 HydrophobicContact CE1-CB 3.83Å | ||
| 200 | D | 56 | Low | 56.3 | Low | 112 Ų | 112 | 82.6 Ų | 82.6 | 60% | 0.599 | 47% | 0.467 | S | S | * | . | trans | -72.6 | 123.2 | 170 | -155.3 | -8.4 | 0 | 0 | 0 | 108.8 | S202 A203 | D200-S202 PolarHBondContact O-N 3.41Å; D200-A203 WeakPolarHBondContact O-CB 3.49Å; D200-A203 PolarHBondContact O-N 3.46Å | ||
| 201 | P | 52.3 | Low | 56.4 | Low | 80 Ų | 80 | 80.3 Ų | 80.3 | 52% | 0.519 | 45% | 0.453 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -23.4 | -177.1 | 16 | -30.3 | 0 | 0 | 0 | 114.2 | A203 S204 | P201-A203 PolarHBondContact O-N 3.32Å; P201-S204 PolarHBondContact O-N 3.2Å; P201-S204 PolarHBondContact O-OG 3.37Å |
| 202 | S | 56.1 | Low | 57 | Low | 78 Ų | 78 | 76.2 Ų | 76.2 | 55% | 0.545 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -59.9 | -23.7 | 172.6 | 51.5 | 0 | 0 | 0 | 0 | 114.2 | D200 S204 | D200-S202 PolarHBondContact O-N 3.41Å; S202-S204 VanDerWaalsContact C-N 3.33Å; S202-S204 PolarHBondContact O-N 3.08Å |
| 203 | A | 63.9 | Low | 57.9 | Low | 27 Ų | 27 | 71.8 Ų | 71.8 | 22% | 0.223 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -69.8 | -28.4 | 178 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y199 D200 P201 H205 S206 M207 | Y199-A203 HydrophobicContact CD1-CB 3.77Å; Y199-A203 HydrophobicContact CE1-CB 3.83Å; D200-A203 WeakPolarHBondContact O-CB 3.49Å; D200-A203 PolarHBondContact O-N 3.46Å; P201-A203 PolarHBondContact O-N 3.32Å; A203-H205 VanDerWaalsContact C-N 3.35Å; A203-H205 PolarHBondContact O-N 3.05Å; A203-S206 PolarHBondContact O-N 2.93Å; A203-S206 PolarHBondContact O-OG 3.17Å; A203-M207 PolarHBondContact O-N 3.43Å |
| 204 | S | 64.3 | Low | 59.5 | Low | 35 Ų | 35 | 68 Ų | 68 | 25% | 0.245 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -60.2 | -41.4 | -178.5 | 63.6 | 0 | 0 | 0 | 0 | 112.9 | P201 S202 S206 M207 F208 | P201-S204 PolarHBondContact O-N 3.2Å; P201-S204 PolarHBondContact O-OG 3.37Å; S202-S204 VanDerWaalsContact C-N 3.33Å; S202-S204 PolarHBondContact O-N 3.08Å; S204-S206 VanDerWaalsContact C-N 3.27Å; S204-S206 PolarHBondContact O-N 2.85Å; S204-M207 VanDerWaalsContact O-CB 3.32Å; S204-M207 WeakPolarHBondContact O-CB 3.39Å; S204-M207 PolarHBondContact O-N 3.46Å; S204-M207 VanDerWaalsContact O-N 3.07Å; S204-F208 WeakPolarHBondContact O-CD2 3.47Å; S204-F208 PolarHBondContact O-N 3.37Å |
| 205 | H | 70.1 | Confident | 61.4 | Low | 49 Ų | 49 | 61.8 Ų | 61.8 | 23% | 0.227 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -67.8 | -24.3 | 176.2 | -76.3 | -74.7 | 0 | 0 | 0 | 113.8 | D166 D184 A203 M207 F208 | D166-H205 PolarHBondContact O-CE1 3.12Å; D166-H205 PolarHBondContact O-ND1 3.35Å; D184-H205 VanDerWaalsContact CG-NE2 3.27Å; D184-H205 IonicContact OD1-CE1 3.72Å; D184-H205 PolarHBondContact OD1-CE1 3.19Å; D184-H205 IonicContact OD1-NE2 2.93Å; D184-H205 PolarHBondContact OD1-NE2 2.93Å; D184-H205 VanDerWaalsContact OD1-NE2 3.11Å; D184-H205 IonicContact OD2-CD2 2.87Å; D184-H205 IonicContact OD2-CE1 3.15Å; D184-H205 IonicContact OD2-NE2 3.03Å; D184-H205 PolarHBondContact OD2-NE2 3.15Å; A203-H205 VanDerWaalsContact C-N 3.35Å; A203-H205 PolarHBondContact O-N 3.05Å; H205-M207 VanDerWaalsContact C-N 3.33Å; H205-F208 VanDerWaalsContact O-O 3.13Å |
| 206 | S | 67 | Low | 63.5 | Low | 52 Ų | 52 | 59.4 Ų | 59.4 | 36% | 0.364 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -79.2 | -22.6 | 172.8 | 71.6 | 0 | 0 | 0 | 0 | 112.3 | A203 S204 S237 N240 | A203-S206 PolarHBondContact O-N 2.93Å; A203-S206 PolarHBondContact O-OG 3.17Å; S204-S206 VanDerWaalsContact C-N 3.27Å; S204-S206 PolarHBondContact O-N 2.85Å; S206-S237 WeakPolarHBondContact O-CB 3.47Å; S206-N240 WeakPolarHBondContact CB-ND2 3.41Å; S206-N240 PolarHBondContact O-ND2 3.31Å; S206-N240 PolarHBondContact OG-ND2 3.14Å |
| 207 | M | 65 | Low | 65.5 | Low | 40 Ų | 40 | 54 Ų | 54 | 20% | 0.197 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -78.6 | -34.3 | -177.1 | -151.9 | 174.4 | 87.8 | 0 | 0 | 112.3 | A203 S204 H205 L236 S237 | A203-M207 PolarHBondContact O-N 3.43Å; S204-M207 VanDerWaalsContact O-CB 3.32Å; S204-M207 WeakPolarHBondContact O-CB 3.39Å; S204-M207 PolarHBondContact O-N 3.46Å; S204-M207 VanDerWaalsContact O-N 3.07Å; H205-M207 VanDerWaalsContact C-N 3.33Å; M207-L236 WeakPolarHBondContact O-CA 2.91Å; M207-S237 PolarHBondContact O-N 3.32Å |
| 208 | F | 69.6 | Low | 67.2 | Low | 12 Ų | 12 | 49 Ų | 49 | 5% | 0.053 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 135.8 | 177.8 | -60.3 | -72 | 0 | 0 | 0 | 111.1 | L186 F193 S204 H205 L234 C235 L236 | L186-F208 HydrophobicContact CD1-CD2 4.11Å; L186-F208 HydrophobicContact CD2-CD2 4.02Å; L186-F208 HydrophobicContact CD2-CE2 4.33Å; F193-F208 HydrophobicContact CE2-CZ 4.5Å; F193-F208 HydrophobicContact CZ-CZ 4.18Å; S204-F208 WeakPolarHBondContact O-CD2 3.47Å; S204-F208 PolarHBondContact O-N 3.37Å; H205-F208 VanDerWaalsContact O-O 3.13Å; F208-L234 HydrophobicContact CD1-CB 3.71Å; F208-L234 HydrophobicContact CE1-CB 3.96Å; F208-L234 HydrophobicContact CE1-CD1 4.33Å; F208-L234 HydrophobicContact CE2-CD1 4.49Å; F208-L234 HydrophobicContact CG-CB 4.27Å; F208-L234 HydrophobicContact CZ-CD1 4.29Å; F208-C235 CarbonylContact C-O 3.41Å; F208-C235 WeakPolarHBondContact CA-O 3.3Å; F208-L236 HydrophobicContact CD1-CD1 4.01Å; F208-L236 HydrophobicContact CE1-CD1 3.63Å |
| 209 | S | 67.1 | Low | 68.8 | Low | 34 Ų | 34 | 44.4 Ų | 44.4 | 24% | 0.238 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 151.8 | 170.1 | 63.6 | 0 | 0 | 0 | 0 | 110.6 | H167 G211 C235 | H167-S209 PolarHBondContact CE1-O 3.08Å; H167-S209 PolarHBondContact NE2-O 3.05Å; S209-G211 PolarHBondContact O-N 3.21Å; S209-C235 PolarHBondContact N-O 3.2Å; S209-C235 WeakPolarHBondContact OG-CB 3.44Å; S209-C235 PolarHBondContact OG-O 3.17Å |
| 210 | P | 67.8 | Low | 69.8 | Low | 71 Ų | 71 | 44.6 Ų | 44.6 | 46% | 0.461 | 27% | 0.268 | S | S | . | . | P | Polyproline II helix | trans | -57.8 | 116.7 | -176.7 | -20.4 | 30 | 0 | 0 | 0 | 111.2 | K165 L212 | K165-P210 HydrophobicContact CB-CB 4Å; K165-P210 HydrophobicContact CD-CB 4.26Å; K165-P210 HydrophobicContact CG-CB 4.32Å; K165-P210 CarbonylContact O-C 3.53Å; K165-P210 VanDerWaalsContact O-CA 3.24Å; K165-P210 WeakPolarHBondContact O-CA 3.22Å; P210-L212 PolarHBondContact O-N 3.34Å |
| 211 | G | 65.7 | Low | 70.3 | Confident | 3 Ų | 3 | 42 Ų | 42 | 3% | 0.031 | 26% | 0.263 | C | S | . | . | trans | -75.6 | 93.1 | -165 | 0 | 0 | 0 | 0 | 0 | 113.2 | L146 K165 H167 S209 C213 H214 | L146-G211 WeakPolarHBondContact CD1-O 3.48Å; K165-G211 PolarHBondContact O-N 3.44Å; H167-G211 PolarHBondContact CE1-N 3.36Å; H167-G211 VanDerWaalsContact CE1-N 3.25Å; S209-G211 PolarHBondContact O-N 3.21Å; G211-C213 PolarHBondContact O-N 2.69Å; G211-C213 VanDerWaalsContact O-N 3.16Å; G211-H214 WeakPolarHBondContact CA-NE2 3.27Å; G211-H214 PolarHBondContact O-CD2 3.05Å; G211-H214 VanDerWaalsContact O-CG 3.31Å; G211-H214 PolarHBondContact O-NE2 3.22Å | ||
| 212 | L | 66.5 | Low | 71.1 | Confident | 107 Ų | 107 | 41 Ų | 41 | 56% | 0.56 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -17.7 | -172.9 | -61.4 | 176 | 0 | 0 | 0 | 115 | L146 K165 P210 | L146-L212 HydrophobicContact CD2-CD2 4.42Å; K165-L212 HydrophobicContact CD-CD2 4.2Å; K165-L212 HydrophobicContact CG-CD2 4.49Å; P210-L212 PolarHBondContact O-N 3.34Å |
| 213 | C | 66.5 | Low | 71.8 | Confident | 9 Ų | 9 | 45.2 Ų | 45.2 | 6% | 0.061 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | 10.7 | -171.5 | -64.6 | 0 | 0 | 0 | 0 | 114.5 | G211 Y231 F317 | G211-C213 PolarHBondContact O-N 2.69Å; G211-C213 VanDerWaalsContact O-N 3.16Å; C213-Y231 WeakPolarHBondContact O-CD1 3.3Å; C213-F317 HydrophobicContact CB-CZ 4.21Å |
| 214 | H | 81.3 | Confident | 72.5 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 29% | 0.294 | C | S | . | . | trans | -61.3 | 139.9 | 177.4 | -58.6 | -35.1 | 0 | 0 | 0 | 111.8 | L146 I163 H167 G211 Y231 L232 S233 | L146-H214 HydrophobicContact CD1-CB 4.3Å; I163-H214 HydrophobicContact CB-CB 4.36Å; I163-H214 HydrophobicContact CG1-CB 3.46Å; I163-H214 VanDerWaalsContact CG1-CB 3.46Å; I163-H214 HydrophobicContact CG2-CB 3.92Å; H167-H214 AromaticContact CE1-NE2 3.69Å; H167-H214 AromaticContact CG-NE2 3.93Å; H167-H214 AromaticContact ND1-CE1 3.45Å; H167-H214 PolarHBondContact ND1-CE1 3.05Å; H167-H214 AromaticContact ND1-NE2 3.03Å; H167-H214 PolarHBondContact ND1-NE2 3.08Å; G211-H214 WeakPolarHBondContact CA-NE2 3.27Å; G211-H214 PolarHBondContact O-CD2 3.05Å; G211-H214 VanDerWaalsContact O-CG 3.31Å; G211-H214 PolarHBondContact O-NE2 3.22Å; H214-Y231 VanDerWaalsContact CA-O 3.29Å; H214-Y231 WeakPolarHBondContact CA-O 3.19Å; H214-L232 WeakPolarHBondContact CE1-CD1 3.29Å; H214-S233 PolarHBondContact CE1-N 2.83Å; H214-S233 PolarHBondContact CE1-O 3.39Å; H214-S233 PolarHBondContact ND1-N 3.48Å | ||
| 215 | R | 82.7 | Confident | 73.3 | Confident | 31 Ų | 31 | 52 Ų | 52 | 12% | 0.117 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 147.5 | 174.5 | -62.4 | -66 | 177.4 | -99.3 | -1.7 | 110.9 | D147 V230 Y231 P518 L521 | D147-R215 WeakPolarHBondContact OD2-CA 3.44Å; R215-V230 CarbonylContact O-C 3.59Å; R215-V230 WeakPolarHBondContact O-CA 3.33Å; R215-Y231 PolarHBondContact N-O 3.42Å; R215-Y231 PolarHBondContact O-N 3.46Å; R215-P518 VanDerWaalsContact CZ-O 3.22Å; R215-P518 PolarHBondContact NE-O 2.95Å; R215-P518 PolarHBondContact NH2-O 2.64Å; R215-L521 HydrophobicContact CB-CD1 4.36Å |
| 216 | L | 88.4 | Confident | 74 | Confident | 9 Ų | 9 | 50 Ų | 50 | 5% | 0.047 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 132.1 | -177.3 | 171 | 68.3 | 0 | 0 | 0 | 109.6 | D147 A161 I163 L169 L228 V230 | D147-L216 PolarHBondContact OD2-N 3.22Å; A161-L216 HydrophobicContact CB-CD2 3.7Å; A161-L216 VanDerWaalsContact O-CD2 3.27Å; A161-L216 WeakPolarHBondContact O-CD2 3.26Å; I163-L216 HydrophobicContact CB-CB 4.5Å; I163-L216 HydrophobicContact CG2-CB 3.89Å; L169-L216 HydrophobicContact CD1-CD1 4.03Å; L169-L216 HydrophobicContact CD1-CD2 4.04Å; L216-L228 HydrophobicContact CD1-CB 4.4Å; L216-V230 HydrophobicContact CD1-CG2 3.67Å |
| 217 | S | 82.3 | Confident | 74.8 | Confident | 19 Ų | 19 | 48 Ų | 48 | 13% | 0.133 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 151.8 | 167.9 | -170.5 | 0 | 0 | 0 | 0 | 110.4 | Y219 L228 V229 | S217-Y219 PolarHBondContact OG-OH 3.21Å; S217-Y219 VanDerWaalsContact OG-OH 3.09Å; S217-L228 WeakPolarHBondContact O-CA 3.41Å; S217-V229 PolarHBondContact N-O 2.87Å; S217-V229 PolarHBondContact O-N 2.76Å |
| 218 | S | 83.7 | Confident | 75.9 | Confident | 21 Ų | 21 | 46 Ų | 46 | 15% | 0.147 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 140.8 | 179.9 | 68.1 | 0 | 0 | 0 | 0 | 110.7 | S149 F150 L151 T227 L228 | S149-S218 PolarHBondContact OG-OG 2.94Å; F150-S218 PolarHBondContact O-OG 3.41Å; F150-S218 VanDerWaalsContact O-OG 3.08Å; L151-S218 VanDerWaalsContact CD2-CB 3.44Å; S218-T227 CarbonylContact C-O 3.6Å; S218-T227 WeakPolarHBondContact CA-O 3.27Å; S218-L228 VanDerWaalsContact CB-CD2 3.43Å |
| 219 | Y | 78.6 | Confident | 76.6 | Confident | 36 Ų | 36 | 45.7 Ų | 45.7 | 14% | 0.141 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 134 | 179.6 | -53.4 | -79.9 | 0 | 0 | 0 | 109.7 | S217 A221 T227 V229 L521 R523 | S217-Y219 PolarHBondContact OG-OH 3.21Å; S217-Y219 VanDerWaalsContact OG-OH 3.09Å; Y219-A221 PolarHBondContact O-N 3.17Å; Y219-T227 PolarHBondContact N-O 2.88Å; Y219-T227 PolarHBondContact O-N 3.14Å; Y219-V229 HydrophobicContact CD2-CG2 4.11Å; Y219-V229 HydrophobicContact CE2-CB 4.5Å; Y219-V229 HydrophobicContact CE2-CG2 3.93Å; Y219-L521 PolarHBondContact OH-O 3.2Å; Y219-R523 HydrophobicContact CD1-CB 3.91Å; Y219-R523 HydrophobicContact CD2-CB 4.49Å; Y219-R523 HydrophobicContact CE1-CB 3.42Å; Y219-R523 VanDerWaalsContact CE1-CB 3.42Å; Y219-R523 HydrophobicContact CE2-CB 4.07Å; Y219-R523 HydrophobicContact CG-CB 4.41Å; Y219-R523 PolarHBondContact OH-N 3.01Å |
| 220 | P | 71.1 | Confident | 77.5 | Confident | 112 Ų | 112 | 44 Ų | 44 | 73% | 0.727 | 25% | 0.245 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 125.1 | 171.1 | 27.3 | -31.8 | 0 | 0 | 0 | 108.9 | ||
| 221 | A | 65.9 | Low | 78.1 | Confident | 58 Ų | 58 | 41.4 Ų | 41.4 | 48% | 0.479 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | -36.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y219 D225 T227 | Y219-A221 PolarHBondContact O-N 3.17Å; A221-D225 PolarHBondContact N-O 3.13Å; A221-T227 VanDerWaalsContact CB-OG1 3.29Å; A221-T227 WeakPolarHBondContact CB-OG1 3.28Å |
| 222 | S | 69.5 | Low | 78.8 | Confident | 58 Ų | 58 | 41.3 Ų | 41.3 | 41% | 0.406 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 173.2 | 170.3 | 71.8 | 0 | 0 | 0 | 0 | 109.7 | R224 D225 | S222-R224 PolarHBondContact O-N 3.3Å; S222-R224 PolarHBondContact OG-N 3.48Å; S222-D225 PolarHBondContact N-O 3.2Å; S222-D225 PolarHBondContact O-N 3.12Å; S222-D225 PolarHBondContact OG-N 3Å |
| 223 | D | 70.8 | Confident | 79.2 | Confident | 167 Ų | 167 | 36.4 Ų | 36.4 | 89% | 0.893 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -12.8 | 171.8 | -69.9 | -17.8 | 0 | 0 | 0 | 113.3 | ||
| 224 | R | 78.4 | Confident | 79.3 | Confident | 172 Ų | 172 | 36 Ų | 36 | 65% | 0.649 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -112.7 | -16.3 | 179.9 | -64.3 | -173.5 | -180 | -174.3 | 0.3 | 114.4 | S222 I264 | S222-R224 PolarHBondContact O-N 3.3Å; S222-R224 PolarHBondContact OG-N 3.48Å; R224-I264 VanDerWaalsContact O-CB 3.22Å; R224-I264 WeakPolarHBondContact O-CB 3.3Å; R224-I264 VanDerWaalsContact O-CG1 3.27Å; R224-I264 WeakPolarHBondContact O-CG1 3.28Å; R224-I264 PolarHBondContact O-N 3.12Å |
| 225 | D | 80.5 | Confident | 78.5 | Confident | 32 Ų | 32 | 37.5 Ų | 37.5 | 17% | 0.171 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 137.8 | -171.6 | -67.5 | -29.5 | 0 | 0 | 0 | 112.1 | A221 S222 L262 D263 | A221-D225 PolarHBondContact N-O 3.13Å; S222-D225 PolarHBondContact N-O 3.2Å; S222-D225 PolarHBondContact O-N 3.12Å; S222-D225 PolarHBondContact OG-N 3Å; D225-L262 WeakPolarHBondContact CA-O 3.19Å; D225-D263 WeakPolarHBondContact OD1-CA 3.18Å |
| 226 | I | 85.8 | Confident | 77.3 | Confident | 7 Ų | 7 | 39.4 Ų | 39.4 | 4% | 0.036 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 127.5 | 171.1 | -57.1 | 173.3 | 0 | 0 | 0 | 108.4 | L151 S152 L228 S261 L262 I264 | L151-I226 HydrophobicContact CB-CD1 4.32Å; L151-I226 HydrophobicContact CD2-CG2 4.21Å; S152-I226 WeakPolarHBondContact O-CD1 3.02Å; I226-L228 HydrophobicContact CG2-CD2 4.23Å; I226-S261 CarbonylContact O-C 3.6Å; I226-S261 WeakPolarHBondContact O-CA 2.99Å; I226-L262 HydrophobicContact CB-CB 4.3Å; I226-L262 HydrophobicContact CD1-CD2 4.44Å; I226-L262 PolarHBondContact N-O 2.84Å; I226-L262 PolarHBondContact O-N 2.8Å; I226-I264 HydrophobicContact CD1-CD1 4.25Å; I226-I264 HydrophobicContact CD1-CG1 4.1Å; I226-I264 HydrophobicContact CG1-CD1 3.89Å; I226-I264 HydrophobicContact CG1-CG1 3.89Å |
| 227 | T | 84.3 | Confident | 75.8 | Confident | 9 Ų | 9 | 40.5 Ų | 40.5 | 6% | 0.055 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 127.1 | 172.9 | -63 | 0 | 0 | 0 | 0 | 109.9 | S218 Y219 A221 V229 W259 M260 | S218-T227 CarbonylContact C-O 3.6Å; S218-T227 WeakPolarHBondContact CA-O 3.27Å; Y219-T227 PolarHBondContact N-O 2.88Å; Y219-T227 PolarHBondContact O-N 3.14Å; A221-T227 VanDerWaalsContact CB-OG1 3.29Å; A221-T227 WeakPolarHBondContact CB-OG1 3.28Å; T227-V229 HydrophobicContact CG2-CG2 4.35Å; T227-W259 HydrophobicContact CG2-CE3 4.32Å; T227-M260 CarbonylContact C-O 3.47Å; T227-M260 WeakPolarHBondContact CA-O 3.4Å |
| 228 | L | 88 | Confident | 74.4 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 138.1 | 170.6 | -51.9 | 178.2 | 0 | 0 | 0 | 109.6 | L151 L169 L216 S217 S218 I226 M260 L275 | L151-L228 HydrophobicContact CD2-CD2 3.51Å; L169-L228 HydrophobicContact CD2-CD1 4.2Å; L216-L228 HydrophobicContact CD1-CB 4.4Å; S217-L228 WeakPolarHBondContact O-CA 3.41Å; S218-L228 VanDerWaalsContact CB-CD2 3.43Å; I226-L228 HydrophobicContact CG2-CD2 4.23Å; L228-M260 HydrophobicContact CB-CB 4.24Å; L228-M260 PolarHBondContact N-O 3.24Å; L228-M260 PolarHBondContact O-N 3.28Å; L228-L275 HydrophobicContact CD1-CD2 3.65Å |
| 229 | V | 83.6 | Confident | 72.6 | Confident | 4 Ų | 4 | 48.3 Ų | 48.3 | 2% | 0.024 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 118 | 174.6 | -171.6 | 0 | 0 | 0 | 0 | 107.8 | S217 Y219 T227 W257 W259 | S217-V229 PolarHBondContact N-O 2.87Å; S217-V229 PolarHBondContact O-N 2.76Å; Y219-V229 HydrophobicContact CD2-CG2 4.11Å; Y219-V229 HydrophobicContact CE2-CB 4.5Å; Y219-V229 HydrophobicContact CE2-CG2 3.93Å; T227-V229 HydrophobicContact CG2-CG2 4.35Å; V229-W257 HydrophobicContact CG1-CE3 3.63Å; V229-W257 HydrophobicContact CG1-CZ3 3.7Å; V229-W259 HydrophobicContact CB-CE3 4.43Å; V229-W259 HydrophobicContact CB-CZ3 4.45Å; V229-W259 HydrophobicContact CG1-CD2 4.35Å; V229-W259 HydrophobicContact CG1-CE3 4.27Å; V229-W259 HydrophobicContact CG1-CH2 4.3Å; V229-W259 HydrophobicContact CG1-CZ2 4.37Å; V229-W259 HydrophobicContact CG1-CZ3 4.24Å; V229-W259 HydrophobicContact CG2-CD2 4.31Å; V229-W259 HydrophobicContact CG2-CE3 3.47Å; V229-W259 VanDerWaalsContact CG2-CE3 3.47Å; V229-W259 HydrophobicContact CG2-CH2 4.13Å; V229-W259 HydrophobicContact CG2-CZ3 3.36Å |
| 230 | V | 85.8 | Confident | 70.8 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 126.2 | 175.7 | -179.1 | 0 | 0 | 0 | 0 | 109 | I163 L169 L185 R215 L216 L232 C258 | I163-V230 HydrophobicContact CG1-CG1 4.37Å; L169-V230 HydrophobicContact CD1-CG2 4.31Å; L185-V230 HydrophobicContact CD1-CG1 3.88Å; R215-V230 CarbonylContact O-C 3.59Å; R215-V230 WeakPolarHBondContact O-CA 3.33Å; L216-V230 HydrophobicContact CD1-CG2 3.67Å; V230-L232 HydrophobicContact CG1-CB 4.46Å; V230-C258 HydrophobicContact CB-CB 4.16Å; V230-C258 PolarHBondContact N-O 3.3Å; V230-C258 PolarHBondContact O-N 3.01Å |
| 231 | Y | 81.9 | Confident | 69.3 | Low | 16 Ų | 16 | 48 Ų | 48 | 6% | 0.063 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 111.1 | 160.8 | 179.1 | -101.8 | 0 | 0 | 0 | 107.8 | C213 H214 R215 W257 L283 F317 A387 P518 | C213-Y231 WeakPolarHBondContact O-CD1 3.3Å; H214-Y231 VanDerWaalsContact CA-O 3.29Å; H214-Y231 WeakPolarHBondContact CA-O 3.19Å; R215-Y231 PolarHBondContact N-O 3.42Å; R215-Y231 PolarHBondContact O-N 3.46Å; Y231-W257 HydrophobicContact CD2-CD2 4.34Å; Y231-W257 HydrophobicContact CD2-CE3 4.4Å; Y231-W257 AromaticContact CD2-CH2 3.87Å; Y231-W257 HydrophobicContact CD2-CH2 3.87Å; Y231-W257 AromaticContact CD2-CZ2 3.8Å; Y231-W257 HydrophobicContact CD2-CZ2 3.8Å; Y231-W257 HydrophobicContact CD2-CZ3 4.18Å; Y231-W257 HydrophobicContact CG-CH2 4.29Å; Y231-W257 HydrophobicContact CG-CZ3 4.39Å; Y231-L283 HydrophobicContact CD2-CD1 4.11Å; Y231-L283 HydrophobicContact CE2-CD1 3.48Å; Y231-L283 VanDerWaalsContact CE2-CD1 3.48Å; Y231-F317 HydrophobicContact CE1-CE1 4.42Å; Y231-F317 WeakPolarHBondContact OH-CD1 3.5Å; Y231-F317 WeakPolarHBondContact OH-CE1 3.5Å; Y231-A387 HydrophobicContact CE2-CB 4.3Å; Y231-P518 HydrophobicContact CE1-CG 4.28Å |
| 232 | L | 80.3 | Confident | 68 | Low | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 122.5 | -179.8 | -176.5 | 76.9 | 0 | 0 | 0 | 109.3 | H167 L185 L189 H214 V230 L234 S255 Y256 | H167-L232 HydrophobicContact CB-CD1 4.48Å; L185-L232 HydrophobicContact CB-CD1 4.15Å; L185-L232 HydrophobicContact CB-CD2 4.15Å; L185-L232 HydrophobicContact CD1-CD1 3.79Å; L189-L232 HydrophobicContact CD1-CD2 4.5Å; L189-L232 HydrophobicContact CD2-CD2 3.95Å; H214-L232 WeakPolarHBondContact CE1-CD1 3.29Å; V230-L232 HydrophobicContact CG1-CB 4.46Å; L232-L234 HydrophobicContact CD1-CD2 4.1Å; L232-L234 HydrophobicContact CD2-CD1 4.1Å; L232-L234 HydrophobicContact CD2-CD2 4.01Å; L232-L234 HydrophobicContact CD2-CG 4.14Å; L232-L234 HydrophobicContact CG-CD2 3.88Å; L232-L234 HydrophobicContact CG-CG 4.15Å; L232-S255 CarbonylContact O-C 3.58Å; L232-S255 WeakPolarHBondContact O-CA 3.34Å; L232-S255 WeakPolarHBondContact O-CB 3.22Å; L232-Y256 HydrophobicContact CD2-CD2 4.37Å; L232-Y256 PolarHBondContact N-O 3.08Å; L232-Y256 PolarHBondContact O-N 2.9Å |
| 233 | S | 73.3 | Confident | 66.4 | Low | 4 Ų | 4 | 50.5 Ų | 50.5 | 3% | 0.028 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 115.9 | 178 | 172.1 | 0 | 0 | 0 | 0 | 110.3 | H214 F317 | H214-S233 PolarHBondContact CE1-N 2.83Å; H214-S233 PolarHBondContact CE1-O 3.39Å; H214-S233 PolarHBondContact ND1-N 3.48Å; S233-F317 VanDerWaalsContact OG-CE1 3.26Å; S233-F317 WeakPolarHBondContact OG-CE1 3.34Å; S233-F317 WeakPolarHBondContact OG-CZ 3.17Å |
| 234 | L | 69.8 | Low | 64.5 | Low | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 125.2 | -178.2 | -51.1 | 174.7 | 0 | 0 | 0 | 110.3 | H167 L186 L189 F208 L232 S254 Y256 | H167-L234 WeakPolarHBondContact ND1-CD2 3.3Å; L186-L234 HydrophobicContact CD2-CD1 3.88Å; L186-L234 HydrophobicContact CD2-CD2 3.66Å; L186-L234 HydrophobicContact CD2-CG 4.45Å; L189-L234 HydrophobicContact CD1-CD1 3.52Å; F208-L234 HydrophobicContact CD1-CB 3.71Å; F208-L234 HydrophobicContact CE1-CB 3.96Å; F208-L234 HydrophobicContact CE1-CD1 4.33Å; F208-L234 HydrophobicContact CE2-CD1 4.49Å; F208-L234 HydrophobicContact CG-CB 4.27Å; F208-L234 HydrophobicContact CZ-CD1 4.29Å; L232-L234 HydrophobicContact CD1-CD2 4.1Å; L232-L234 HydrophobicContact CD2-CD1 4.1Å; L232-L234 HydrophobicContact CD2-CD2 4.01Å; L232-L234 HydrophobicContact CD2-CG 4.14Å; L232-L234 HydrophobicContact CG-CD2 3.88Å; L232-L234 HydrophobicContact CG-CG 4.15Å; L234-S254 VanDerWaalsContact CB-O 3.22Å; L234-S254 WeakPolarHBondContact CB-O 3.43Å; L234-S254 PolarHBondContact N-O 2.78Å; L234-S254 VanDerWaalsContact N-O 3.12Å; L234-S254 PolarHBondContact O-N 3.01Å; L234-Y256 HydrophobicContact CD1-CD2 4.13Å; L234-Y256 HydrophobicContact CD1-CE2 3.89Å |
| 235 | C | 63.7 | Low | 62.4 | Low | 32 Ų | 32 | 47.4 Ų | 47.4 | 22% | 0.216 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 130.5 | 172.7 | -63 | 0 | 0 | 0 | 0 | 108.8 | F208 S209 N253 | F208-C235 CarbonylContact C-O 3.41Å; F208-C235 WeakPolarHBondContact CA-O 3.3Å; S209-C235 PolarHBondContact N-O 3.2Å; S209-C235 WeakPolarHBondContact OG-CB 3.44Å; S209-C235 PolarHBondContact OG-O 3.17Å; C235-N253 WeakPolarHBondContact CA-OD1 3.5Å |
| 236 | L | 57.5 | Low | 60 | Low | 71 Ų | 71 | 51.2 Ų | 51.2 | 37% | 0.372 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.8 | 139.7 | 177.1 | -103.5 | 76.3 | 0 | 0 | 0 | 111.3 | M207 F208 N253 | M207-L236 WeakPolarHBondContact O-CA 2.91Å; F208-L236 HydrophobicContact CD1-CD1 4.01Å; F208-L236 HydrophobicContact CE1-CD1 3.63Å; L236-N253 PolarHBondContact N-OD1 3.46Å |
| 237 | S | 56.3 | Low | 57.4 | Low | 32 Ų | 32 | 56.6 Ų | 56.6 | 22% | 0.224 | 35% | 0.35 | C | S | . | . | trans | -77.5 | 124.7 | 173 | -178.1 | 0 | 0 | 0 | 0 | 109.4 | S206 M207 S239 | S206-S237 WeakPolarHBondContact O-CB 3.47Å; M207-S237 PolarHBondContact O-N 3.32Å; S237-S239 PolarHBondContact O-N 3.16Å; S237-S239 VanDerWaalsContact O-N 3.08Å; S237-S239 PolarHBondContact OG-OG 2.68Å | ||
| 238 | S | 52.8 | Low | 54.8 | Low | 117 Ų | 117 | 62.3 Ų | 62.3 | 82% | 0.818 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -10.3 | 178.7 | 55.8 | 0 | 0 | 0 | 0 | 114.2 | ||
| 239 | S | 47.4 | Very low | 52.1 | Low | 87 Ų | 87 | 66.4 Ų | 66.4 | 61% | 0.608 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | -20.2 | -168.5 | 59.8 | 0 | 0 | 0 | 0 | 115.6 | S237 G241 | S237-S239 PolarHBondContact O-N 3.16Å; S237-S239 VanDerWaalsContact O-N 3.08Å; S237-S239 PolarHBondContact OG-OG 2.68Å; S239-G241 PolarHBondContact O-N 3.48Å |
| 240 | N | 40.5 | Very low | 49.8 | Very low | 64 Ų | 64 | 70.6 Ų | 70.6 | 34% | 0.342 | 44% | 0.435 | S | S | . | . | trans | -88.6 | 89.6 | 179 | -85 | -2.8 | 0 | 0 | 0 | 110.6 | S206 I242 | S206-N240 WeakPolarHBondContact CB-ND2 3.41Å; S206-N240 PolarHBondContact O-ND2 3.31Å; S206-N240 PolarHBondContact OG-ND2 3.14Å; N240-I242 HydrophobicContact CB-CG1 4.48Å; N240-I242 PolarHBondContact O-N 3.37Å | ||
| 241 | G | 40.4 | Very low | 47.6 | Very low | 77 Ų | 77 | 73.4 Ų | 73.4 | 79% | 0.794 | 46% | 0.464 | S | S | * | . | trans | -70.1 | 49.5 | 169.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | S239 S243 | S239-G241 PolarHBondContact O-N 3.48Å; G241-S243 VanDerWaalsContact C-N 3.29Å; G241-S243 PolarHBondContact O-N 3.38Å | ||
| 242 | I | 38.2 | Very low | 45.7 | Very low | 78 Ų | 78 | 76 Ų | 76 | 40% | 0.4 | 48% | 0.482 | S | S | . | . | trans | -68.1 | 97.3 | 166.2 | -60.3 | 172.8 | 0 | 0 | 0 | 105.4 | N240 F244 | N240-I242 HydrophobicContact CB-CG1 4.48Å; N240-I242 PolarHBondContact O-N 3.37Å; I242-F244 VanDerWaalsContact C-N 3.32Å; I242-F244 HydrophobicContact CB-CE2 4.48Å; I242-F244 HydrophobicContact CG2-CD2 4.31Å; I242-F244 HydrophobicContact CG2-CE2 4.06Å; I242-F244 HydrophobicContact CG2-CZ 4.44Å; I242-F244 WeakPolarHBondContact O-CD2 3.43Å; I242-F244 PolarHBondContact O-N 2.87Å | ||
| 243 | S | 34.5 | Very low | 44.2 | Very low | 90 Ų | 90 | 77.3 Ų | 77.3 | 63% | 0.629 | 49% | 0.488 | S | S | * | . | trans | -65.4 | 94.2 | 174 | 55.3 | 0 | 0 | 0 | 0 | 108 | G241 D245 | G241-S243 VanDerWaalsContact C-N 3.29Å; G241-S243 PolarHBondContact O-N 3.38Å; S243-D245 VanDerWaalsContact C-N 3.26Å; S243-D245 PolarHBondContact O-N 3.19Å | ||
| 244 | F | 32.2 | Very low | 43.3 | Very low | 125 Ų | 125 | 77.7 Ų | 77.7 | 55% | 0.548 | 49% | 0.491 | S | S | . | . | trans | -64.1 | 96.3 | 161.3 | -75.1 | -86.3 | 0 | 0 | 0 | 106.8 | L195 I242 T246 | L195-F244 HydrophobicContact CD2-CE1 4.36Å; L195-F244 HydrophobicContact CD2-CZ 4.16Å; I242-F244 VanDerWaalsContact C-N 3.32Å; I242-F244 HydrophobicContact CB-CE2 4.48Å; I242-F244 HydrophobicContact CG2-CD2 4.31Å; I242-F244 HydrophobicContact CG2-CE2 4.06Å; I242-F244 HydrophobicContact CG2-CZ 4.44Å; I242-F244 WeakPolarHBondContact O-CD2 3.43Å; I242-F244 PolarHBondContact O-N 2.87Å; F244-T246 PolarHBondContact O-N 3.07Å | ||
| 245 | D | 33.3 | Very low | 43.2 | Very low | 150 Ų | 150 | 78.3 Ų | 78.3 | 80% | 0.802 | 50% | 0.496 | S | S | * | . | S | Bend | trans | -71.6 | 52.4 | 175.5 | -92.1 | -16.4 | 0 | 0 | 0 | 111 | S243 | S243-D245 VanDerWaalsContact C-N 3.26Å; S243-D245 PolarHBondContact O-N 3.19Å |
| 246 | T | 30.7 | Very low | 43.6 | Very low | 111 Ų | 111 | 77.3 Ų | 77.3 | 68% | 0.681 | 49% | 0.487 | S | S | * | . | S | Bend | trans | -162.2 | 101.3 | 160.3 | 39.5 | 0 | 0 | 0 | 0 | 105.6 | F244 | F244-T246 PolarHBondContact O-N 3.07Š|
| 247 | T | 30.3 | Very low | 44.4 | Very low | 121 Ų | 121 | 74 Ų | 74 | 74% | 0.742 | 47% | 0.47 | S | S | * | . | trans | 35.9 | 109.9 | 172.6 | 52.2 | 0 | 0 | 0 | 0 | 115.7 | S249 | T247-S249 VanDerWaalsContact C-N 3.29Å; T247-S249 PolarHBondContact O-N 2.95Å | ||
| 248 | P | 31.1 | Very low | 45.6 | Very low | 129 Ų | 129 | 72.5 Ų | 72.5 | 84% | 0.838 | 46% | 0.459 | S | S | * | . | trans | -64.9 | 89.8 | -174.4 | 29.2 | -33.3 | 0 | 0 | 0 | 110.1 | E250 | P248-E250 PolarHBondContact O-N 3.39Š| ||
| 249 | S | 31.3 | Very low | 47 | Very low | 86 Ų | 86 | 68.6 Ų | 68.6 | 60% | 0.601 | 43% | 0.427 | S | S | * | . | trans | -68.5 | 111.2 | 170.6 | 52.2 | 0 | 0 | 0 | 0 | 106.7 | T247 | T247-S249 VanDerWaalsContact C-N 3.29Å; T247-S249 PolarHBondContact O-N 2.95Å | ||
| 250 | E | 35.1 | Very low | 49 | Very low | 91 Ų | 91 | 64.4 Ų | 64.4 | 43% | 0.425 | 40% | 0.398 | S | S | . | . | trans | 30.7 | 107.6 | 144.2 | -56.4 | -168.1 | 89.1 | 0 | 0 | 117.2 | P248 V252 Q321 | P248-E250 PolarHBondContact O-N 3.39Å; E250-V252 PolarHBondContact O-N 3.07Å; E250-Q321 VanDerWaalsContact CD-OE1 3.25Å; E250-Q321 WeakPolarHBondContact OE1-CB 3.47Å; E250-Q321 WeakPolarHBondContact OE1-CG 3.39Å; E250-Q321 PolarHBondContact OE1-NE2 3.11Å; E250-Q321 PolarHBondContact OE1-OE1 2.93Å; E250-Q321 VanDerWaalsContact OE2-CD 3.26Å; E250-Q321 PolarHBondContact OE2-OE1 3.19Å; E250-Q321 VanDerWaalsContact OE2-OE1 3.04Å | ||
| 251 | G | 38.8 | Very low | 51.2 | Low | 59 Ų | 59 | 61.7 Ų | 61.7 | 61% | 0.608 | 38% | 0.383 | S | S | * | . | trans | -63.3 | 97.2 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | N253 | G251-N253 PolarHBondContact O-N 3.17Å; G251-N253 VanDerWaalsContact O-N 3.13Å | ||
| 252 | V | 42.6 | Very low | 53.5 | Low | 71 Ų | 71 | 58 Ų | 58 | 43% | 0.43 | 35% | 0.346 | S | S | . | . | trans | -77.4 | 94.9 | 176.5 | -174.6 | 0 | 0 | 0 | 0 | 108.6 | E250 | E250-V252 PolarHBondContact O-N 3.07Š| ||
| 253 | N | 47.7 | Very low | 55.9 | Low | 27 Ų | 27 | 56.3 Ų | 56.3 | 14% | 0.144 | 34% | 0.337 | C | S | . | . | trans | -72.6 | 130 | 163.6 | -73.9 | -12.5 | 0 | 0 | 0 | 108.8 | C235 L236 G251 D316 | C235-N253 WeakPolarHBondContact CA-OD1 3.5Å; L236-N253 PolarHBondContact N-OD1 3.46Å; G251-N253 PolarHBondContact O-N 3.17Å; G251-N253 VanDerWaalsContact O-N 3.13Å; N253-D316 HydrophobicContact CB-CB 3.59Å; N253-D316 WeakPolarHBondContact ND2-CB 3.34Å; N253-D316 PolarHBondContact ND2-OD2 3.35Å | ||
| 254 | S | 55.7 | Low | 58.4 | Low | 13 Ų | 13 | 52.6 Ų | 52.6 | 9% | 0.091 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 126.9 | -166.5 | 57.2 | 0 | 0 | 0 | 0 | 110.6 | L234 Y256 | L234-S254 VanDerWaalsContact CB-O 3.22Å; L234-S254 WeakPolarHBondContact CB-O 3.43Å; L234-S254 PolarHBondContact N-O 2.78Å; L234-S254 VanDerWaalsContact N-O 3.12Å; L234-S254 PolarHBondContact O-N 3.01Å; S254-Y256 VanDerWaalsContact OG-CE2 3.29Å; S254-Y256 WeakPolarHBondContact OG-CE2 3.25Å |
| 255 | S | 66.9 | Low | 60.9 | Low | 13 Ų | 13 | 51 Ų | 51 | 9% | 0.091 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 147.9 | 174 | -60.9 | 0 | 0 | 0 | 0 | 110.4 | L232 L283 | L232-S255 CarbonylContact O-C 3.58Å; L232-S255 WeakPolarHBondContact O-CA 3.34Å; L232-S255 WeakPolarHBondContact O-CB 3.22Å; S255-L283 WeakPolarHBondContact O-CB 3.2Å; S255-L283 PolarHBondContact O-N 3.44Å |
| 256 | Y | 71.7 | Confident | 63.4 | Low | 11 Ų | 11 | 47.6 Ų | 47.6 | 4% | 0.043 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 144.3 | -175.8 | -60.5 | -96.2 | 0 | 0 | 0 | 112 | L189 L232 L234 S254 V280 E281 P282 | L189-Y256 HydrophobicContact CD1-CD2 4.39Å; L189-Y256 HydrophobicContact CD1-CE2 4.02Å; L189-Y256 HydrophobicContact CD2-CD1 3.77Å; L189-Y256 HydrophobicContact CD2-CD2 3.56Å; L189-Y256 HydrophobicContact CD2-CE1 4.01Å; L189-Y256 HydrophobicContact CD2-CE2 3.81Å; L189-Y256 HydrophobicContact CD2-CG 3.54Å; L189-Y256 HydrophobicContact CG-CE2 4.49Å; L232-Y256 HydrophobicContact CD2-CD2 4.37Å; L232-Y256 PolarHBondContact N-O 3.08Å; L232-Y256 PolarHBondContact O-N 2.9Å; L234-Y256 HydrophobicContact CD1-CD2 4.13Å; L234-Y256 HydrophobicContact CD1-CE2 3.89Å; S254-Y256 VanDerWaalsContact OG-CE2 3.29Å; S254-Y256 WeakPolarHBondContact OG-CE2 3.25Å; Y256-V280 HydrophobicContact CD1-CG1 3.94Å; Y256-V280 HydrophobicContact CG-CG1 4.42Å; Y256-E281 CarbonylContact C-O 3.35Å; Y256-E281 WeakPolarHBondContact CA-O 3.34Å; Y256-P282 HydrophobicContact CD1-CB 3.85Å; Y256-P282 HydrophobicContact CE1-CB 3.65Å |
| 257 | W | 76.1 | Confident | 66.1 | Low | 3 Ų | 3 | 42.3 Ų | 42.3 | 1% | 0.011 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 117.6 | 160.2 | -73.9 | 108.6 | 0 | 0 | 0 | 109.3 | V229 Y231 V280 E281 A387 L521 | V229-W257 HydrophobicContact CG1-CE3 3.63Å; V229-W257 HydrophobicContact CG1-CZ3 3.7Å; Y231-W257 HydrophobicContact CD2-CD2 4.34Å; Y231-W257 HydrophobicContact CD2-CE3 4.4Å; Y231-W257 AromaticContact CD2-CH2 3.87Å; Y231-W257 HydrophobicContact CD2-CH2 3.87Å; Y231-W257 AromaticContact CD2-CZ2 3.8Å; Y231-W257 HydrophobicContact CD2-CZ2 3.8Å; Y231-W257 HydrophobicContact CD2-CZ3 4.18Å; Y231-W257 HydrophobicContact CG-CH2 4.29Å; Y231-W257 HydrophobicContact CG-CZ3 4.39Å; W257-V280 CarbonylContact O-C 3.41Å; W257-V280 WeakPolarHBondContact O-CA 3.41Å; W257-E281 HydrophobicContact CB-CB 4.29Å; W257-E281 PolarHBondContact N-O 3.2Å; W257-E281 PolarHBondContact O-N 3.33Å; W257-A387 HydrophobicContact CZ2-CB 4.2Å; W257-L521 HydrophobicContact CH2-CD1 3.67Å; W257-L521 HydrophobicContact CH2-CD2 3.62Å; W257-L521 HydrophobicContact CH2-CG 4.29Å; W257-L521 HydrophobicContact CZ3-CD1 3.48Å; W257-L521 VanDerWaalsContact CZ3-CD1 3.48Å; W257-L521 HydrophobicContact CZ3-CD2 4.34Å |
| 258 | C | 81.4 | Confident | 68.7 | Low | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 111 | 173.8 | -53 | 0 | 0 | 0 | 0 | 108.9 | V230 M260 | V230-C258 HydrophobicContact CB-CB 4.16Å; V230-C258 PolarHBondContact N-O 3.3Å; V230-C258 PolarHBondContact O-N 3.01Å; C258-M260 HydrophobicContact CB-CE 4.2Å |
| 259 | W | 81.9 | Confident | 71.1 | Confident | 34 Ų | 34 | 37.2 Ų | 37.2 | 13% | 0.129 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 126.5 | 175.5 | -61 | 86.3 | 0 | 0 | 0 | 108.9 | T227 V229 L278 R279 P543 I549 | T227-W259 HydrophobicContact CG2-CE3 4.32Å; V229-W259 HydrophobicContact CB-CE3 4.43Å; V229-W259 HydrophobicContact CB-CZ3 4.45Å; V229-W259 HydrophobicContact CG1-CD2 4.35Å; V229-W259 HydrophobicContact CG1-CE3 4.27Å; V229-W259 HydrophobicContact CG1-CH2 4.3Å; V229-W259 HydrophobicContact CG1-CZ2 4.37Å; V229-W259 HydrophobicContact CG1-CZ3 4.24Å; V229-W259 HydrophobicContact CG2-CD2 4.31Å; V229-W259 HydrophobicContact CG2-CE3 3.47Å; V229-W259 VanDerWaalsContact CG2-CE3 3.47Å; V229-W259 HydrophobicContact CG2-CH2 4.13Å; V229-W259 HydrophobicContact CG2-CZ3 3.36Å; W259-L278 HydrophobicContact CB-CB 4.23Å; W259-L278 WeakPolarHBondContact O-CB 3.41Å; W259-L278 PolarHBondContact O-N 3.24Å; W259-R279 HydrophobicContact CB-CB 4.17Å; W259-R279 WeakPolarHBondContact CB-O 3.47Å; W259-R279 HydrophobicContact CG-CB 4.44Å; W259-R279 PolarHBondContact N-O 3.47Å; W259-R279 PolarHBondContact O-N 2.65Å; W259-P543 HydrophobicContact CZ3-CG 4.48Å; W259-I549 HydrophobicContact CH2-CD1 3.36Å; W259-I549 HydrophobicContact CH2-CG1 4.25Å; W259-I549 HydrophobicContact CZ2-CD1 3.51Å |
| 260 | M | 88 | Confident | 73.7 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 153.9 | -178.2 | -52.1 | -173.6 | 164 | 0 | 0 | 110.5 | L169 L183 L185 V188 T227 L228 C258 L275 R276 V277 | L169-M260 HydrophobicContact CD2-SD 3.52Å; L169-M260 VanDerWaalsContact CD2-SD 3.52Å; L183-M260 HydrophobicContact CD2-CE 3.44Å; L183-M260 VanDerWaalsContact CD2-CE 3.44Å; L183-M260 HydrophobicContact CD2-SD 3.68Å; L185-M260 HydrophobicContact CD2-CE 3.25Å; L185-M260 HydrophobicContact CD2-SD 4.39Å; V188-M260 HydrophobicContact CG1-CE 4.34Å; T227-M260 CarbonylContact C-O 3.47Å; T227-M260 WeakPolarHBondContact CA-O 3.4Å; L228-M260 HydrophobicContact CB-CB 4.24Å; L228-M260 PolarHBondContact N-O 3.24Å; L228-M260 PolarHBondContact O-N 3.28Å; C258-M260 HydrophobicContact CB-CE 4.2Å; M260-L275 HydrophobicContact CB-CD2 4.34Å; M260-R276 CarbonylContact C-O 3.54Å; M260-R276 VanDerWaalsContact CA-O 3.3Å; M260-R276 WeakPolarHBondContact CA-O 3.26Å; M260-V277 HydrophobicContact CE-CG2 3.99Å |
| 261 | S | 87.6 | Confident | 76 | Confident | 6 Ų | 6 | 36.2 Ų | 36.2 | 4% | 0.042 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 132.5 | 171.6 | 172.2 | 0 | 0 | 0 | 0 | 108.3 | I226 R276 | I226-S261 CarbonylContact O-C 3.6Å; I226-S261 WeakPolarHBondContact O-CA 2.99Å; S261-R276 PolarHBondContact N-O 3.19Å; S261-R276 PolarHBondContact O-N 3.15Å |
| 262 | L | 89.2 | Confident | 78.2 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 112.5 | 172.5 | 178.2 | 70.3 | 0 | 0 | 0 | 108.1 | L151 I171 D225 I226 I264 A267 S274 L275 | L151-L262 HydrophobicContact CD1-CD2 3.6Å; I171-L262 HydrophobicContact CD1-CD1 3.65Å; I171-L262 HydrophobicContact CD1-CD2 4.28Å; D225-L262 WeakPolarHBondContact CA-O 3.19Å; I226-L262 HydrophobicContact CB-CB 4.3Å; I226-L262 HydrophobicContact CD1-CD2 4.44Å; I226-L262 PolarHBondContact N-O 2.84Å; I226-L262 PolarHBondContact O-N 2.8Å; L262-I264 PolarHBondContact O-N 3.35Å; L262-A267 HydrophobicContact CD1-CB 3.89Å; L262-A267 HydrophobicContact CD2-CB 4.45Å; L262-A267 HydrophobicContact CG-CB 4.18Å; L262-S274 WeakPolarHBondContact CA-O 3.35Å; L262-S274 WeakPolarHBondContact CD1-OG 3.5Å; L262-L275 HydrophobicContact CB-CD2 4.11Å; L262-L275 HydrophobicContact CD1-CD2 4.02Å; L262-L275 HydrophobicContact CD1-CG 3.99Å |
| 263 | D | 87.8 | Confident | 80.1 | Confident | 42 Ų | 42 | 46.4 Ų | 46.4 | 23% | 0.225 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 114.2 | 171.6 | 178.1 | -27.7 | 0 | 0 | 0 | 108.6 | D225 N265 K266 A267 S274 | D225-D263 WeakPolarHBondContact OD1-CA 3.18Å; D263-N265 VanDerWaalsContact C-N 3.34Å; D263-N265 PolarHBondContact O-N 3.08Å; D263-N265 PolarHBondContact OD1-N 2.83Å; D263-K266 HydrophobicContact CB-CB 4.06Å; D263-K266 HydrophobicContact CB-CD 4.14Å; D263-K266 HydrophobicContact CB-CG 4.22Å; D263-K266 PolarHBondContact O-N 3.13Å; D263-K266 PolarHBondContact OD1-N 2.82Å; D263-K266 VanDerWaalsContact OD1-N 3.13Å; D263-K266 WeakPolarHBondContact OD2-CD 3.45Å; D263-K266 WeakPolarHBondContact OD2-CE 3.49Å; D263-K266 WeakPolarHBondContact OD2-CG 3.33Å; D263-A267 VanDerWaalsContact O-CB 3.3Å; D263-A267 WeakPolarHBondContact O-CB 3.4Å; D263-A267 PolarHBondContact O-N 3.24Å; D263-S274 PolarHBondContact N-O 3.45Å |
| 264 | I | 86.3 | Confident | 81.9 | Confident | 12 Ų | 12 | 45.2 Ų | 45.2 | 6% | 0.062 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.1 | -44.6 | -175.8 | -65.8 | 174.9 | 0 | 0 | 0 | 110.1 | L153 R224 I226 L262 K266 A267 L268 | L153-I264 HydrophobicContact CB-CG2 3.96Å; L153-I264 HydrophobicContact CD2-CG2 4.1Å; L153-I264 HydrophobicContact CG-CG2 4.36Å; L153-I264 WeakPolarHBondContact O-CG2 3.4Å; R224-I264 VanDerWaalsContact O-CB 3.22Å; R224-I264 WeakPolarHBondContact O-CB 3.3Å; R224-I264 VanDerWaalsContact O-CG1 3.27Å; R224-I264 WeakPolarHBondContact O-CG1 3.28Å; R224-I264 PolarHBondContact O-N 3.12Å; I226-I264 HydrophobicContact CD1-CD1 4.25Å; I226-I264 HydrophobicContact CD1-CG1 4.1Å; I226-I264 HydrophobicContact CG1-CD1 3.89Å; I226-I264 HydrophobicContact CG1-CG1 3.89Å; L262-I264 PolarHBondContact O-N 3.35Å; I264-K266 PolarHBondContact O-N 3.49Å; I264-A267 PolarHBondContact O-N 2.85Å; I264-L268 HydrophobicContact CG2-CD1 3.81Å; I264-L268 HydrophobicContact CG2-CG 4.21Å; I264-L268 WeakPolarHBondContact O-CG 3.23Å; I264-L268 PolarHBondContact O-N 2.91Å |
| 265 | N | 85.6 | Confident | 83.5 | Confident | 91 Ų | 91 | 45.9 Ų | 45.9 | 49% | 0.487 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -66.5 | -41 | -176.5 | -63.7 | -52.2 | 0 | 0 | 0 | 111.7 | D263 S269 | D263-N265 VanDerWaalsContact C-N 3.34Å; D263-N265 PolarHBondContact O-N 3.08Å; D263-N265 PolarHBondContact OD1-N 2.83Å; N265-S269 PolarHBondContact O-N 3.45Å; N265-S269 PolarHBondContact O-OG 3.42Å |
| 266 | K | 86.4 | Confident | 84.4 | Confident | 80 Ų | 80 | 52.7 Ų | 52.7 | 35% | 0.348 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -66.5 | -39.8 | 173.9 | -72.3 | -175 | -174.6 | -174.6 | 0 | 111.7 | D263 I264 S269 R270 N271 E273 | D263-K266 HydrophobicContact CB-CB 4.06Å; D263-K266 HydrophobicContact CB-CD 4.14Å; D263-K266 HydrophobicContact CB-CG 4.22Å; D263-K266 PolarHBondContact O-N 3.13Å; D263-K266 PolarHBondContact OD1-N 2.82Å; D263-K266 VanDerWaalsContact OD1-N 3.13Å; D263-K266 WeakPolarHBondContact OD2-CD 3.45Å; D263-K266 WeakPolarHBondContact OD2-CE 3.49Å; D263-K266 WeakPolarHBondContact OD2-CG 3.33Å; I264-K266 PolarHBondContact O-N 3.49Å; K266-S269 PolarHBondContact O-N 3.44Å; K266-S269 PolarHBondContact O-OG 2.72Å; K266-R270 PolarHBondContact O-N 3.1Å; K266-N271 HydrophobicContact CB-CB 4.15Å; K266-N271 WeakPolarHBondContact O-CB 3.33Å; K266-N271 PolarHBondContact O-N 3.44Å; K266-E273 WeakPolarHBondContact CD-O 2.95Å |
| 267 | A | 86 | Confident | 85 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.6 | -43.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | L153 F159 L262 D263 I264 S269 R270 | L153-A267 HydrophobicContact CD2-CB 3.92Å; F159-A267 HydrophobicContact CD2-CB 4.29Å; F159-A267 HydrophobicContact CE2-CB 3.81Å; F159-A267 WeakPolarHBondContact CE2-O 3.34Å; L262-A267 HydrophobicContact CD1-CB 3.89Å; L262-A267 HydrophobicContact CD2-CB 4.45Å; L262-A267 HydrophobicContact CG-CB 4.18Å; D263-A267 VanDerWaalsContact O-CB 3.3Å; D263-A267 WeakPolarHBondContact O-CB 3.4Å; D263-A267 PolarHBondContact O-N 3.24Å; I264-A267 PolarHBondContact O-N 2.85Å; A267-S269 VanDerWaalsContact C-N 3.29Å; A267-S269 PolarHBondContact O-N 2.93Å; A267-R270 WeakPolarHBondContact O-CA 3.24Å; A267-R270 PolarHBondContact O-N 3.49Å |
| 268 | L | 84.7 | Confident | 85.2 | Confident | 61 Ų | 61 | 56.2 Ų | 56.2 | 32% | 0.319 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -60.9 | -35.9 | 176.2 | -66.7 | 168.3 | 0 | 0 | 0 | 112.2 | L153 E157 I264 R270 | L153-L268 HydrophobicContact CB-CD2 3.98Å; L153-L268 HydrophobicContact CD2-CD2 3.8Å; L153-L268 HydrophobicContact CD2-CG 3.97Å; L153-L268 HydrophobicContact CG-CD2 4.49Å; E157-L268 HydrophobicContact CB-CD2 3.75Å; E157-L268 HydrophobicContact CG-CD2 4.12Å; E157-L268 WeakPolarHBondContact OE2-CD2 3.36Å; I264-L268 HydrophobicContact CG2-CD1 3.81Å; I264-L268 HydrophobicContact CG2-CG 4.21Å; I264-L268 WeakPolarHBondContact O-CG 3.23Å; I264-L268 PolarHBondContact O-N 2.91Å; L268-R270 PolarHBondContact O-N 3.25Å |
| 269 | S | 83.3 | Confident | 84.7 | Confident | 82 Ų | 82 | 61.3 Ų | 61.3 | 57% | 0.573 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | 4.3 | 172.6 | 62.7 | 0 | 0 | 0 | 0 | 114.2 | N265 K266 A267 N271 | N265-S269 PolarHBondContact O-N 3.45Å; N265-S269 PolarHBondContact O-OG 3.42Å; K266-S269 PolarHBondContact O-N 3.44Å; K266-S269 PolarHBondContact O-OG 2.72Å; A267-S269 VanDerWaalsContact C-N 3.29Å; A267-S269 PolarHBondContact O-N 2.93Å; S269-N271 PolarHBondContact O-N 3.08Å |
| 270 | R | 84.3 | Confident | 84.3 | Confident | 97 Ų | 97 | 61.1 Ų | 61.1 | 37% | 0.366 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54 | 29.9 | -174.2 | -56 | 178.1 | 66.2 | -166.2 | -0.2 | 112.8 | D173 S178 F180 K266 A267 L268 R272 | D173-R270 IonicContact OD2-NE 3.43Å; S178-R270 PolarHBondContact OG-NH2 3.46Å; F180-R270 HydrophobicContact CD2-CB 4.2Å; K266-R270 PolarHBondContact O-N 3.1Å; A267-R270 WeakPolarHBondContact O-CA 3.24Å; A267-R270 PolarHBondContact O-N 3.49Å; L268-R270 PolarHBondContact O-N 3.25Å; R270-R272 PolarHBondContact O-N 2.79Å |
| 271 | N | 85 | Confident | 83 | Confident | 59 Ų | 59 | 62 Ų | 62 | 32% | 0.316 | 29% | 0.289 | S | S | . | . | trans | -68.6 | 128.5 | 175.5 | -172.8 | -14.3 | 0 | 0 | 0 | 109 | K266 S269 E273 S274 | K266-N271 HydrophobicContact CB-CB 4.15Å; K266-N271 WeakPolarHBondContact O-CB 3.33Å; K266-N271 PolarHBondContact O-N 3.44Å; S269-N271 PolarHBondContact O-N 3.08Å; N271-E273 PolarHBondContact O-N 2.89Å; N271-E273 PolarHBondContact OD1-N 3.47Å; N271-S274 WeakPolarHBondContact O-CB 3.39Å; N271-S274 PolarHBondContact O-N 3.31Å; N271-S274 PolarHBondContact O-OG 3.31Å | ||
| 272 | R | 83.4 | Confident | 81.6 | Confident | 205 Ų | 205 | 63 Ų | 63 | 77% | 0.774 | 30% | 0.295 | S | S | * | . | G | 310 helix | trans | -64.3 | -22.7 | 178.2 | -67.6 | -173.4 | 176.7 | -178.8 | 0.5 | 112.9 | R270 S274 | R270-R272 PolarHBondContact O-N 2.79Å; R272-S274 VanDerWaalsContact C-N 3.26Å; R272-S274 PolarHBondContact O-N 3.28Å |
| 273 | E | 83.2 | Confident | 80 | Confident | 139 Ų | 139 | 63.6 Ų | 63.6 | 65% | 0.65 | 30% | 0.299 | S | S | * | . | G | 310 helix | trans | -89.5 | 25.5 | 176.2 | -57.7 | -177.5 | 171.7 | 0 | 0 | 113 | K266 N271 L275 | K266-E273 WeakPolarHBondContact CD-O 2.95Å; N271-E273 PolarHBondContact O-N 2.89Å; N271-E273 PolarHBondContact OD1-N 3.47Å; E273-L275 VanDerWaalsContact C-N 3.31Å |
| 274 | S | 86.3 | Confident | 78.1 | Confident | 2 Ų | 2 | 64.8 Ų | 64.8 | 1% | 0.014 | 30% | 0.302 | C | S | . | . | G | 310 helix | trans | -73.8 | -24.4 | 176.1 | 65.4 | 0 | 0 | 0 | 0 | 113.1 | L262 D263 N271 R272 | L262-S274 WeakPolarHBondContact CA-O 3.35Å; L262-S274 WeakPolarHBondContact CD1-OG 3.5Å; D263-S274 PolarHBondContact N-O 3.45Å; N271-S274 WeakPolarHBondContact O-CB 3.39Å; N271-S274 PolarHBondContact O-N 3.31Å; N271-S274 PolarHBondContact O-OG 3.31Å; R272-S274 VanDerWaalsContact C-N 3.26Å; R272-S274 PolarHBondContact O-N 3.28Å |
| 275 | L | 89.3 | Confident | 75.7 | Confident | 26 Ų | 26 | 69 Ų | 69 | 14% | 0.136 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 131.3 | 177.5 | -84.7 | 170.2 | 0 | 0 | 0 | 111 | L169 I171 V181 L183 L228 M260 L262 E273 | L169-L275 HydrophobicContact CD2-CD1 4.09Å; I171-L275 HydrophobicContact CD1-CD1 3.44Å; I171-L275 VanDerWaalsContact CD1-CD1 3.44Å; I171-L275 HydrophobicContact CD1-CD2 4.11Å; I171-L275 HydrophobicContact CD1-CG 3.72Å; I171-L275 HydrophobicContact CG1-CD1 4.03Å; V181-L275 HydrophobicContact CG1-CD1 3.71Å; L183-L275 HydrophobicContact CD2-CD1 4.49Å; L228-L275 HydrophobicContact CD1-CD2 3.65Å; M260-L275 HydrophobicContact CB-CD2 4.34Å; L262-L275 HydrophobicContact CB-CD2 4.11Å; L262-L275 HydrophobicContact CD1-CD2 4.02Å; L262-L275 HydrophobicContact CD1-CG 3.99Å; E273-L275 VanDerWaalsContact C-N 3.31Å |
| 276 | R | 84.6 | Confident | 73.2 | Confident | 156 Ų | 156 | 68.6 Ų | 68.6 | 59% | 0.589 | 32% | 0.324 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 126.9 | 170.8 | -179.3 | -179.1 | 175.7 | -171.1 | -0.4 | 109.5 | M260 S261 L278 | M260-R276 CarbonylContact C-O 3.54Å; M260-R276 VanDerWaalsContact CA-O 3.3Å; M260-R276 WeakPolarHBondContact CA-O 3.26Å; S261-R276 PolarHBondContact N-O 3.19Å; S261-R276 PolarHBondContact O-N 3.15Å; R276-L278 PolarHBondContact O-N 2.97Å |
| 277 | V | 84.7 | Confident | 70.5 | Confident | 53 Ų | 53 | 70.2 Ų | 70.2 | 32% | 0.321 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 121.5 | 169.3 | -171.1 | 0 | 0 | 0 | 0 | 108.4 | L183 V188 M260 V280 | L183-V277 HydrophobicContact CD2-CG2 4.43Å; V188-V277 HydrophobicContact CB-CG2 4.48Å; V188-V277 HydrophobicContact CG1-CB 4.21Å; V188-V277 HydrophobicContact CG1-CG1 3.56Å; V188-V277 HydrophobicContact CG1-CG2 3.68Å; V188-V277 HydrophobicContact CG2-CG2 3.91Å; M260-V277 HydrophobicContact CE-CG2 3.99Å; V277-V280 HydrophobicContact CG1-CG2 3.71Å |
| 278 | L | 79.8 | Confident | 67.8 | Low | 36 Ų | 36 | 80.9 Ų | 80.9 | 19% | 0.188 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | -48.9 | 176.9 | -64.1 | 178 | 0 | 0 | 0 | 110.6 | W259 R276 M541 | W259-L278 HydrophobicContact CB-CB 4.23Å; W259-L278 WeakPolarHBondContact O-CB 3.41Å; W259-L278 PolarHBondContact O-N 3.24Å; R276-L278 PolarHBondContact O-N 2.97Å; L278-M541 HydrophobicContact CD2-CE 4.47Å |
| 279 | R | 72.3 | Confident | 65.2 | Low | 107 Ų | 107 | 81.1 Ų | 81.1 | 40% | 0.404 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.4 | 142.7 | -173.8 | -164.5 | 175 | 177.4 | -163.4 | 0.4 | 110.8 | W259 E281 N380 | W259-R279 HydrophobicContact CB-CB 4.17Å; W259-R279 WeakPolarHBondContact CB-O 3.47Å; W259-R279 HydrophobicContact CG-CB 4.44Å; W259-R279 PolarHBondContact N-O 3.47Å; W259-R279 PolarHBondContact O-N 2.65Å; R279-E281 WeakPolarHBondContact CD-OE1 3.31Å; R279-E281 HydrophobicContact CG-CG 3.93Å; R279-E281 IonicContact CZ-OE1 3.88Å; R279-E281 IonicContact NE-OE1 3.73Å; R279-E281 PolarHBondContact NE-OE1 2.65Å; R279-E281 IonicContact NH1-OE1 2.92Å; R279-E281 PolarHBondContact NH1-OE1 3.18Å; R279-E281 IonicContact NH2-OE1 3.46Å; R279-N380 PolarHBondContact NH2-O 3.4Å |
| 280 | V | 72.5 | Confident | 62.7 | Low | 30 Ų | 30 | 85.2 Ų | 85.2 | 18% | 0.182 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 116.8 | 170.8 | -175.1 | 0 | 0 | 0 | 0 | 107.4 | V188 L189 Y256 W257 V277 | V188-V280 HydrophobicContact CG1-CG2 3.45Å; V188-V280 VanDerWaalsContact CG1-CG2 3.45Å; L189-V280 HydrophobicContact CD2-CG1 4.05Å; Y256-V280 HydrophobicContact CD1-CG1 3.94Å; Y256-V280 HydrophobicContact CG-CG1 4.42Å; W257-V280 CarbonylContact O-C 3.41Å; W257-V280 WeakPolarHBondContact O-CA 3.41Å; V277-V280 HydrophobicContact CG1-CG2 3.71Å |
| 281 | E | 62 | Low | 60.2 | Low | 18 Ų | 18 | 87.7 Ų | 87.7 | 8% | 0.084 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 115.6 | -178.9 | -62.6 | 175.6 | -152.7 | 0 | 0 | 109.3 | Y256 W257 R279 T384 | Y256-E281 CarbonylContact C-O 3.35Å; Y256-E281 WeakPolarHBondContact CA-O 3.34Å; W257-E281 HydrophobicContact CB-CB 4.29Å; W257-E281 PolarHBondContact N-O 3.2Å; W257-E281 PolarHBondContact O-N 3.33Å; R279-E281 WeakPolarHBondContact CD-OE1 3.31Å; R279-E281 HydrophobicContact CG-CG 3.93Å; R279-E281 IonicContact CZ-OE1 3.88Å; R279-E281 IonicContact NE-OE1 3.73Å; R279-E281 PolarHBondContact NE-OE1 2.65Å; R279-E281 IonicContact NH1-OE1 2.92Å; R279-E281 PolarHBondContact NH1-OE1 3.18Å; R279-E281 IonicContact NH2-OE1 3.46Å; E281-T384 HydrophobicContact CB-CG2 3.89Å; E281-T384 WeakPolarHBondContact OE2-CG2 3.4Å |
| 282 | P | 57.2 | Low | 57.5 | Low | 26 Ų | 26 | 89.8 Ų | 89.8 | 17% | 0.169 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 135.4 | 169 | 26.7 | -31.5 | 0 | 0 | 0 | 109.7 | Y256 F284 | Y256-P282 HydrophobicContact CD1-CB 3.85Å; Y256-P282 HydrophobicContact CE1-CB 3.65Å; P282-F284 PolarHBondContact O-N 3.01Å |
| 283 | L | 55.4 | Low | 54.9 | Low | 14 Ų | 14 | 88.2 Ų | 88.2 | 7% | 0.073 | 47% | 0.467 | C | S | . | . | S | Bend | trans | -67.6 | -25 | 174.6 | -83.5 | 145.8 | 0 | 0 | 0 | 112.1 | Y231 S255 T384 A387 | Y231-L283 HydrophobicContact CD2-CD1 4.11Å; Y231-L283 HydrophobicContact CE2-CD1 3.48Å; Y231-L283 VanDerWaalsContact CE2-CD1 3.48Å; S255-L283 WeakPolarHBondContact O-CB 3.2Å; S255-L283 PolarHBondContact O-N 3.44Å; L283-T384 WeakPolarHBondContact CD2-O 3.44Å; L283-A387 HydrophobicContact CD2-CB 3.51Å |
| 284 | F | 47.3 | Very low | 52.3 | Low | 66 Ų | 66 | 88.6 Ų | 88.6 | 29% | 0.289 | 47% | 0.472 | S | S | . | . | trans | -139.9 | 140.6 | 173.4 | -65.6 | -92.4 | 0 | 0 | 0 | 111.3 | P282 F317 P319 F388 L394 | P282-F284 PolarHBondContact O-N 3.01Å; F284-F317 WeakPolarHBondContact CE2-O 3.47Å; F284-F317 WeakPolarHBondContact CZ-O 3.46Å; F284-P319 HydrophobicContact CB-CG 4.18Å; F284-P319 HydrophobicContact CD1-CG 3.83Å; F284-P319 HydrophobicContact CD2-CG 4.25Å; F284-P319 HydrophobicContact CE1-CG 4.12Å; F284-P319 HydrophobicContact CG-CG 3.84Å; F284-P319 HydrophobicContact CZ-CG 4.41Å; F284-F388 HydrophobicContact CD1-CZ 4.43Å; F284-F388 AromaticContact CE1-CE1 3.51Å; F284-F388 HydrophobicContact CE1-CE1 3.51Å; F284-F388 AromaticContact CE1-CZ 3.51Å; F284-F388 HydrophobicContact CE1-CZ 3.51Å; F284-F388 HydrophobicContact CE2-CE1 4.01Å; F284-F388 HydrophobicContact CE2-CZ 4.11Å; F284-F388 HydrophobicContact CZ-CD1 4.12Å; F284-F388 AromaticContact CZ-CE1 3.08Å; F284-F388 HydrophobicContact CZ-CE1 3.08Å; F284-F388 AromaticContact CZ-CZ 3.37Å; F284-F388 HydrophobicContact CZ-CZ 3.37Å; F284-L394 HydrophobicContact CE1-CD2 4.33Å | ||
| 285 | Q | 35.7 | Very low | 49.5 | Very low | 100 Ų | 100 | 100.5 Ų | 100.5 | 47% | 0.467 | 52% | 0.517 | S | S | . | . | trans | -118 | 113.4 | 172.6 | -149.5 | 174.6 | 17.2 | 0 | 0 | 107.3 | S287 Y376 | Q285-S287 PolarHBondContact O-N 3.45Å; Q285-Y376 PolarHBondContact O-OH 3.24Å | ||
| 286 | P | 34 | Very low | 46.7 | Very low | 84 Ų | 84 | 104.3 Ų | 104.3 | 55% | 0.545 | 54% | 0.543 | S | S | . | . | trans | -61.5 | 127.6 | 170.5 | -13.9 | 26.8 | 0 | 0 | 0 | 107.9 | W288 | P286-W288 PolarHBondContact O-N 3.05Š| ||
| 287 | S | 30.8 | Very low | 44 | Very low | 114 Ų | 114 | 105.5 Ų | 105.5 | 80% | 0.797 | 56% | 0.555 | S | S | * | * | trans | -71.4 | 79 | 174.8 | 50.4 | 0 | 0 | 0 | 0 | 109.5 | Q285 | Q285-S287 PolarHBondContact O-N 3.45Š| ||
| 288 | W | 28.1 | Very low | 41.3 | Very low | 223 Ų | 223 | 110.6 Ų | 110.6 | 85% | 0.845 | 58% | 0.581 | S | S | * | * | trans | -87.3 | 106.9 | 160.6 | -75.8 | 5.8 | 0 | 0 | 0 | 107.3 | P286 | P286-W288 PolarHBondContact O-N 3.05Š| ||
| 289 | G | 31.1 | Very low | 38.8 | Very low | 67 Ų | 67 | 113.2 Ų | 113.2 | 69% | 0.691 | 60% | 0.602 | S | S | * | * | trans | -61.9 | 148.2 | -172.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | N291 | G289-N291 PolarHBondContact O-N 3.33Š| ||
| 290 | N | 31 | Very low | 36.7 | Very low | 167 Ų | 167 | 114.7 Ų | 114.7 | 89% | 0.893 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -61.9 | 19.4 | -171.7 | -87 | -18.2 | 0 | 0 | 0 | 117.8 | ||
| 291 | N | 30.6 | Very low | 34.5 | Very low | 149 Ų | 149 | 119.7 Ų | 119.7 | 80% | 0.797 | 64% | 0.643 | S | S | * | * | trans | -124.7 | 69 | -176.5 | -64 | -7 | 0 | 0 | 0 | 111.1 | G289 | G289-N291 PolarHBondContact O-N 3.33Š| ||
| 292 | A | 29.4 | Very low | 32.9 | Very low | 104 Ų | 104 | 125.2 Ų | 125.2 | 86% | 0.86 | 67% | 0.673 | S | S | * | * | trans | -100 | 40.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 293 | E | 28.3 | Very low | 31.4 | Very low | 172 Ų | 172 | 131.6 Ų | 131.6 | 80% | 0.804 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -124 | 127.9 | 160.5 | -75.7 | -170.6 | 173.1 | 0 | 0 | 108.6 | ||
| 294 | L | 27.4 | Very low | 29.8 | Very low | 147 Ų | 147 | 138.7 Ų | 138.7 | 77% | 0.77 | 74% | 0.74 | S | S | * | * | trans | 73.8 | 123.2 | -168.6 | -52.6 | 129.2 | 0 | 0 | 0 | 109.6 | ||||
| 295 | W | 27.4 | Very low | 28.8 | Very low | 251 Ų | 251 | 141 Ų | 141 | 95% | 0.951 | 76% | 0.761 | S | S | * | * | -146.5 | 140.3 | 74.5 | -73 | 7.1 | 0 | 0 | 0 | 111.9 | |||||
| 296 | P | 31.1 | Very low | 28.2 | Very low | 107 Ų | 107 | 145.9 Ų | 145.9 | 70% | 0.695 | 78% | 0.781 | S | S | * | * | trans | -84.9 | 144.8 | 177.1 | 33.9 | -29.9 | 0 | 0 | 0 | 112.1 | ||||
| 297 | H | 27.9 | Very low | 27.7 | Very low | 180 Ų | 180 | 147.9 Ų | 147.9 | 83% | 0.833 | 79% | 0.786 | S | S | * | * | trans | -2 | 118.3 | 157.8 | -63.1 | -80.8 | 0 | 0 | 0 | 117.8 | ||||
| 298 | N | 28.5 | Very low | 27.5 | Very low | 161 Ų | 161 | 152.4 Ų | 152.4 | 86% | 0.861 | 79% | 0.791 | S | S | * | * | -167.9 | 142.2 | 113.8 | -101.1 | -26.8 | 0 | 0 | 0 | 113.4 | |||||
| 299 | S | 27.2 | Very low | 27.6 | Very low | 90 Ų | 90 | 152.5 Ų | 152.5 | 63% | 0.629 | 79% | 0.791 | S | S | * | * | trans | -74.7 | 148 | -170.5 | 49.5 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 300 | N | 27.7 | Very low | 27.5 | Very low | 138 Ų | 138 | 154.8 Ų | 154.8 | 74% | 0.738 | 79% | 0.794 | S | S | * | * | trans | 142.5 | 92.8 | 134.5 | -72.4 | -25.6 | 0 | 0 | 0 | 110.7 | ||||
| 301 | L | 26.9 | Very low | 27.4 | Very low | 136 Ų | 136 | 154 Ų | 154 | 71% | 0.712 | 79% | 0.789 | S | S | * | * | 72.3 | 106.3 | 91.7 | -79.4 | 168.5 | 0 | 0 | 0 | 114.3 | |||||
| 302 | N | 27.3 | Very low | 27.2 | Very low | 134 Ų | 134 | 153.1 Ų | 153.1 | 72% | 0.717 | 79% | 0.789 | S | S | * | * | 170.3 | 122.9 | 95.2 | -90.1 | -32.9 | 0 | 0 | 0 | 115.7 | |||||
| 303 | M | 25.6 | Very low | 27.5 | Very low | 159 Ų | 159 | 149.7 Ų | 149.7 | 78% | 0.783 | 76% | 0.759 | S | S | * | * | trans | 66.6 | 96.5 | 136.6 | -64.3 | -71.6 | 121 | 0 | 0 | 120.6 | ||||
| 304 | L | 23.1 | Very low | 27.9 | Very low | 164 Ų | 164 | 144.6 Ų | 144.6 | 86% | 0.859 | 74% | 0.74 | S | S | * | * | trans | -94.3 | 152.2 | 153.7 | -111.3 | 103.9 | 0 | 0 | 0 | 111.2 | ||||
| 305 | P | 25.6 | Very low | 28.3 | Very low | 113 Ų | 113 | 139 Ų | 139 | 73% | 0.734 | 71% | 0.71 | S | S | * | * | trans | -81.9 | 136.5 | -169.6 | 26.9 | -21.4 | 0 | 0 | 0 | 113.5 | ||||
| 306 | K | 23.1 | Very low | 28.6 | Very low | 203 Ų | 203 | 131.4 Ų | 131.4 | 88% | 0.883 | 69% | 0.688 | S | S | * | * | trans | -78.1 | 110.2 | -179 | -67.5 | 172.9 | 175.4 | 176.3 | 0 | 111.2 | ||||
| 307 | I | 24.7 | Very low | 29.2 | Very low | 126 Ų | 126 | 128.1 Ų | 128.1 | 65% | 0.646 | 66% | 0.663 | S | S | * | * | trans | -100.2 | 115.4 | 166.4 | -60.7 | 173.1 | 0 | 0 | 0 | 108.1 | R309 | I307-R309 HydrophobicContact CG2-CG 4.45Š| ||
| 308 | K | 25.6 | Very low | 29.4 | Very low | 209 Ų | 209 | 120.6 Ų | 120.6 | 91% | 0.909 | 63% | 0.629 | S | S | * | * | trans | -81.4 | 124.5 | 170 | -73.7 | -179.5 | 173.9 | -177.6 | 0 | 108.7 | ||||
| 309 | R | 29.5 | Very low | 29.3 | Very low | 226 Ų | 226 | 115.5 Ų | 115.5 | 85% | 0.853 | 60% | 0.604 | S | S | * | * | trans | -115.5 | 145.8 | 169.4 | -83.6 | -172 | 179.9 | 167.9 | 1 | 111 | I307 | I307-R309 HydrophobicContact CG2-CG 4.45Š| ||
| 310 | P | 29.6 | Very low | 29.8 | Very low | 114 Ų | 114 | 114.9 Ų | 114.9 | 74% | 0.74 | 60% | 0.6 | S | S | * | * | trans | -95.5 | 145.5 | -170.9 | 34.8 | -25.6 | 0 | 0 | 0 | 113.4 | ||||
| 311 | D | 28.1 | Very low | 30 | Very low | 151 Ų | 151 | 113.7 Ų | 113.7 | 81% | 0.807 | 59% | 0.59 | S | S | * | * | S | Bend | trans | 39.9 | 100.8 | 148.9 | -56.9 | -21.1 | 0 | 0 | 0 | 121.1 | ||
| 312 | V | 28.3 | Very low | 30.2 | Very low | 130 Ų | 130 | 111.6 Ų | 111.6 | 79% | 0.788 | 58% | 0.583 | S | S | * | * | trans | 32.2 | 88.5 | 141 | -162 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 313 | S | 35.2 | Very low | 30.3 | Very low | 33 Ų | 33 | 111.1 Ų | 111.1 | 23% | 0.231 | 58% | 0.579 | C | S | . | * | trans | -101.3 | 145.7 | 156.4 | 165.3 | 0 | 0 | 0 | 0 | 109.8 | L315 E513 | S313-L315 PolarHBondContact O-N 2.85Å; S313-L315 PolarHBondContact OG-N 3.23Å; S313-E513 PolarHBondContact OG-OE2 3.38Å | ||
| 314 | V | 35.5 | Very low | 30.3 | Very low | 65 Ų | 65 | 111.5 Ų | 111.5 | 39% | 0.394 | 58% | 0.579 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -66.8 | -2.6 | -179.5 | 176.4 | 0 | 0 | 0 | 0 | 112 | D316 F317 | V314-D316 PolarHBondContact O-N 3.46Å; V314-F317 HydrophobicContact CG1-CE2 4.03Å; V314-F317 WeakPolarHBondContact O-CD2 3.34Å; V314-F317 WeakPolarHBondContact O-CE2 3.18Å |
| 315 | L | 36.4 | Very low | 30.6 | Very low | 30 Ų | 30 | 113.3 Ų | 113.3 | 16% | 0.157 | 58% | 0.58 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -85.8 | 13.2 | -175.1 | -87.8 | -168.2 | 0 | 0 | 0 | 118.6 | S313 F317 W401 Y402 E513 | S313-L315 PolarHBondContact O-N 2.85Å; S313-L315 PolarHBondContact OG-N 3.23Å; L315-F317 HydrophobicContact CD2-CD2 4.5Å; L315-F317 PolarHBondContact O-N 2.93Å; L315-W401 HydrophobicContact CD1-CH2 3.46Å; L315-W401 VanDerWaalsContact CD1-CH2 3.46Å; L315-W401 HydrophobicContact CD1-CZ3 3.64Å; L315-W401 HydrophobicContact CD2-CH2 4.28Å; L315-W401 HydrophobicContact CG-CH2 4.49Å; L315-Y402 HydrophobicContact CD1-CD2 3.88Å; L315-Y402 HydrophobicContact CD1-CE2 4.09Å; L315-E513 HydrophobicContact CD1-CG 3.7Å; L315-E513 WeakPolarHBondContact CD1-OE1 3.25Å; L315-E513 HydrophobicContact CD2-CG 4.24Å; L315-E513 HydrophobicContact CG-CG 3.83Å; L315-E513 WeakPolarHBondContact CG-OE1 3.3Å |
| 316 | D | 34.1 | Very low | 30.8 | Very low | 90 Ų | 90 | 113.8 Ų | 113.8 | 48% | 0.481 | 58% | 0.583 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -66.6 | 17 | 171.7 | -66.9 | -32.6 | 0 | 0 | 0 | 114.1 | N253 V314 I318 | N253-D316 HydrophobicContact CB-CB 3.59Å; N253-D316 WeakPolarHBondContact ND2-CB 3.34Å; N253-D316 PolarHBondContact ND2-OD2 3.35Å; V314-D316 PolarHBondContact O-N 3.46Å; D316-I318 PolarHBondContact O-N 3.23Å |
| 317 | F | 43.1 | Very low | 31.1 | Very low | 38 Ų | 38 | 107.4 Ų | 107.4 | 17% | 0.167 | 58% | 0.575 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -63.9 | -3.3 | 165.4 | -64.9 | -71.5 | 0 | 0 | 0 | 114.5 | C213 Y231 S233 F284 V314 L315 | C213-F317 HydrophobicContact CB-CZ 4.21Å; Y231-F317 HydrophobicContact CE1-CE1 4.42Å; Y231-F317 WeakPolarHBondContact OH-CD1 3.5Å; Y231-F317 WeakPolarHBondContact OH-CE1 3.5Å; S233-F317 VanDerWaalsContact OG-CE1 3.26Å; S233-F317 WeakPolarHBondContact OG-CE1 3.34Å; S233-F317 WeakPolarHBondContact OG-CZ 3.17Å; F284-F317 WeakPolarHBondContact CE2-O 3.47Å; F284-F317 WeakPolarHBondContact CZ-O 3.46Å; V314-F317 HydrophobicContact CG1-CE2 4.03Å; V314-F317 WeakPolarHBondContact O-CD2 3.34Å; V314-F317 WeakPolarHBondContact O-CE2 3.18Å; L315-F317 HydrophobicContact CD2-CD2 4.5Å; L315-F317 PolarHBondContact O-N 2.93Å |
| 318 | I | 32.7 | Very low | 31.2 | Very low | 23 Ų | 23 | 107 Ų | 107 | 12% | 0.118 | 58% | 0.582 | C | S | . | * | S | Bend | trans | -132.8 | 109 | -179.3 | -52.5 | 167.4 | 0 | 0 | 0 | 108.4 | D316 S320 V392 P399 | D316-I318 PolarHBondContact O-N 3.23Å; I318-S320 PolarHBondContact O-N 3.48Å; I318-V392 HydrophobicContact CD1-CB 4.31Å; I318-V392 HydrophobicContact CD1-CG1 3.66Å; I318-V392 HydrophobicContact CD1-CG2 3.6Å; I318-V392 HydrophobicContact CG1-CG1 4.16Å; I318-V392 HydrophobicContact CG2-CG1 4.49Å; I318-P399 HydrophobicContact CD1-CG 3.76Å |
| 319 | P | 27.1 | Very low | 31.4 | Very low | 53 Ų | 53 | 105 Ų | 105 | 34% | 0.344 | 58% | 0.58 | S | S | . | * | trans | -65 | 126.7 | 176.4 | -15 | 27.6 | 0 | 0 | 0 | 110.3 | F284 Q321 | F284-P319 HydrophobicContact CB-CG 4.18Å; F284-P319 HydrophobicContact CD1-CG 3.83Å; F284-P319 HydrophobicContact CD2-CG 4.25Å; F284-P319 HydrophobicContact CE1-CG 4.12Å; F284-P319 HydrophobicContact CG-CG 3.84Å; F284-P319 HydrophobicContact CZ-CG 4.41Å; P319-Q321 VanDerWaalsContact C-N 3.31Å; P319-Q321 PolarHBondContact O-N 3.13Å | ||
| 320 | S | 35.9 | Very low | 31.6 | Very low | 77 Ų | 77 | 100.9 Ų | 100.9 | 54% | 0.538 | 58% | 0.575 | S | S | . | * | S | Bend | trans | -80.7 | -2.1 | -178.1 | 50.2 | 0 | 0 | 0 | 0 | 114.6 | I318 | I318-S320 PolarHBondContact O-N 3.48Š|
| 321 | Q | 32.3 | Very low | 31.6 | Very low | 114 Ų | 114 | 103.1 Ų | 103.1 | 53% | 0.533 | 58% | 0.581 | S | S | . | * | trans | -105.3 | 40.9 | -178.4 | -77.1 | -155.6 | 25.9 | 0 | 0 | 115.9 | E250 P319 I323 | E250-Q321 VanDerWaalsContact CD-OE1 3.25Å; E250-Q321 WeakPolarHBondContact OE1-CB 3.47Å; E250-Q321 WeakPolarHBondContact OE1-CG 3.39Å; E250-Q321 PolarHBondContact OE1-NE2 3.11Å; E250-Q321 PolarHBondContact OE1-OE1 2.93Å; E250-Q321 VanDerWaalsContact OE2-CD 3.26Å; E250-Q321 PolarHBondContact OE2-OE1 3.19Å; E250-Q321 VanDerWaalsContact OE2-OE1 3.04Å; P319-Q321 VanDerWaalsContact C-N 3.31Å; P319-Q321 PolarHBondContact O-N 3.13Å; Q321-I323 PolarHBondContact O-N 2.74Å; Q321-I323 VanDerWaalsContact O-N 3.17Å | ||
| 322 | V | 31.6 | Very low | 31.8 | Very low | 92 Ų | 92 | 101.5 Ų | 101.5 | 56% | 0.558 | 58% | 0.581 | S | S | * | * | trans | -73.1 | 0.9 | 172.7 | -179.2 | 0 | 0 | 0 | 0 | 113 | ||||
| 323 | I | 29.3 | Very low | 32 | Very low | 124 Ų | 124 | 100.7 Ų | 100.7 | 64% | 0.636 | 58% | 0.582 | S | S | * | * | trans | -112.1 | 74.9 | -173.7 | -42.7 | 175.1 | 0 | 0 | 0 | 111.8 | Q321 | Q321-I323 PolarHBondContact O-N 2.74Å; Q321-I323 VanDerWaalsContact O-N 3.17Å | ||
| 324 | Q | 26.2 | Very low | 31.9 | Very low | 167 Ų | 167 | 108.4 Ų | 108.4 | 78% | 0.78 | 61% | 0.614 | S | S | * | * | trans | -128.1 | 103.5 | 144.8 | -74.3 | -168.3 | 10.6 | 0 | 0 | 108.4 | P326 | Q324-P326 VanDerWaalsContact O-CD 3.25Å; Q324-P326 WeakPolarHBondContact O-CD 3.48Å; Q324-P326 VanDerWaalsContact O-N 3.17Å | ||
| 325 | K | 28.6 | Very low | 31.7 | Very low | 201 Ų | 201 | 110.7 Ų | 110.7 | 87% | 0.874 | 63% | 0.633 | S | S | * | * | trans | -56.7 | 114.4 | 165.9 | -91.2 | 179.5 | 171.9 | 176.5 | 0 | 107.4 | G327 | K325-G327 PolarHBondContact O-N 3.36Š| ||
| 326 | P | 31 | Very low | 31.3 | Very low | 124 Ų | 124 | 120.1 Ų | 120.1 | 81% | 0.805 | 67% | 0.666 | S | S | * | * | trans | -69.6 | 127.8 | 172.6 | 0.5 | 14.9 | 0 | 0 | 0 | 107.6 | Q324 C328 | Q324-P326 VanDerWaalsContact O-CD 3.25Å; Q324-P326 WeakPolarHBondContact O-CD 3.48Å; Q324-P326 VanDerWaalsContact O-N 3.17Å; P326-C328 PolarHBondContact O-N 3.31Å | ||
| 327 | G | 28.8 | Very low | 31.1 | Very low | 69 Ų | 69 | 125.5 Ų | 125.5 | 71% | 0.711 | 69% | 0.685 | S | S | * | * | trans | -55.1 | 133.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | K325 L329 | K325-G327 PolarHBondContact O-N 3.36Å; G327-L329 PolarHBondContact O-N 3Å | ||
| 328 | C | 26.6 | Very low | 30.5 | Very low | 118 Ų | 118 | 132.5 Ų | 132.5 | 80% | 0.797 | 72% | 0.716 | S | S | * | * | trans | -39.2 | 115.6 | 170.6 | -162.3 | 0 | 0 | 0 | 0 | 111.6 | P326 | P326-C328 PolarHBondContact O-N 3.31Š| ||
| 329 | L | 28.9 | Very low | 30.5 | Very low | 166 Ų | 166 | 140.5 Ų | 140.5 | 87% | 0.869 | 75% | 0.746 | S | S | * | * | trans | -126.6 | 114.5 | 157.7 | -89.4 | 163.5 | 0 | 0 | 0 | 107.5 | G327 D331 | G327-L329 PolarHBondContact O-N 3Å; L329-D331 PolarHBondContact O-N 3.19Å | ||
| 330 | D | 33.7 | Very low | 30.9 | Very low | 140 Ų | 140 | 145.1 Ų | 145.1 | 75% | 0.749 | 76% | 0.76 | S | S | * | * | trans | -53.1 | 126.8 | 169.2 | -70.1 | -46.2 | 0 | 0 | 0 | 109.1 | ||||
| 331 | D | 29.7 | Very low | 31.1 | Very low | 160 Ų | 160 | 147.7 Ų | 147.7 | 86% | 0.856 | 76% | 0.762 | S | S | * | * | trans | -149.7 | 118 | 150.8 | -101.1 | -30.1 | 0 | 0 | 0 | 111.7 | L329 S333 | L329-D331 PolarHBondContact O-N 3.19Å; D331-S333 PolarHBondContact O-N 3.02Å | ||
| 332 | S | 33 | Very low | 31.7 | Very low | 117 Ų | 117 | 144.9 Ų | 144.9 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | trans | -66.4 | 113.5 | 173.9 | 50 | 0 | 0 | 0 | 0 | 111 | ||||
| 333 | S | 32.3 | Very low | 32.3 | Very low | 114 Ų | 114 | 143.6 Ų | 143.6 | 80% | 0.797 | 75% | 0.748 | S | S | * | * | trans | -151.8 | 88.2 | 151.8 | 71 | 0 | 0 | 0 | 0 | 110.6 | D331 S335 | D331-S333 PolarHBondContact O-N 3.02Å; S333-S335 PolarHBondContact O-N 2.87Å | ||
| 334 | E | 33 | Very low | 33.2 | Very low | 194 Ų | 194 | 138.4 Ų | 138.4 | 91% | 0.907 | 73% | 0.725 | S | S | * | * | trans | -70.8 | 105.9 | 165.3 | -71.3 | -175.7 | 138.9 | 0 | 0 | 109.6 | ||||
| 335 | S | 30.9 | Very low | 34.7 | Very low | 113 Ų | 113 | 130.5 Ų | 130.5 | 79% | 0.79 | 69% | 0.688 | S | S | * | * | trans | 176.6 | 138.7 | 140.1 | 45 | 0 | 0 | 0 | 0 | 111.6 | S333 | S333-S335 PolarHBondContact O-N 2.87Š| ||
| 336 | R | 27.6 | Very low | 36.2 | Very low | 228 Ų | 228 | 121.3 Ų | 121.3 | 86% | 0.86 | 65% | 0.648 | S | S | * | * | trans | 76.8 | 64.6 | -175.5 | -65.8 | -179.3 | -173.9 | 160.4 | 5.1 | 116.6 | K338 | R336-K338 PolarHBondContact O-N 3.1Š| ||
| 337 | K | 30.5 | Very low | 37.7 | Very low | 204 Ų | 204 | 115.7 Ų | 115.7 | 89% | 0.887 | 61% | 0.611 | S | S | * | * | trans | -65.2 | 75 | 151.8 | -69.7 | 178.3 | 178.6 | 174 | 0 | 110.1 | Y339 | K337-Y339 PolarHBondContact O-N 3.15Å; K337-Y339 VanDerWaalsContact O-N 3.09Å | ||
| 338 | K | 31 | Very low | 39.4 | Very low | 184 Ų | 184 | 112.7 Ų | 112.7 | 80% | 0.8 | 58% | 0.578 | S | S | * | * | trans | -69.9 | 101.1 | 163.4 | -87.3 | -175.3 | 176.2 | 179.4 | 0 | 107.4 | R336 K340 | R336-K338 PolarHBondContact O-N 3.1Å; K338-K340 PolarHBondContact O-N 2.84Å; K338-K340 VanDerWaalsContact O-N 3.16Å | ||
| 339 | Y | 33.2 | Very low | 41 | Very low | 191 Ų | 191 | 107.2 Ų | 107.2 | 75% | 0.749 | 54% | 0.541 | S | S | * | . | trans | -24.7 | 102.4 | 178.7 | -58.5 | -88.8 | 0 | 0 | 0 | 115.1 | K337 K341 | K337-Y339 PolarHBondContact O-N 3.15Å; K337-Y339 VanDerWaalsContact O-N 3.09Å; Y339-K341 PolarHBondContact O-N 3.23Å | ||
| 340 | K | 35.4 | Very low | 42.7 | Very low | 150 Ų | 150 | 99.4 Ų | 99.4 | 65% | 0.652 | 50% | 0.501 | S | S | * | . | trans | -66.7 | 112.7 | 173.4 | -73.7 | -176.5 | 172.9 | -174.7 | 0 | 108.6 | K338 A342 P374 D375 | K338-K340 PolarHBondContact O-N 2.84Å; K338-K340 VanDerWaalsContact O-N 3.16Å; K340-A342 PolarHBondContact O-N 2.86Å; K340-P374 PolarHBondContact NZ-O 3.13Å; K340-D375 IonicContact NZ-OD1 2.82Å | ||
| 341 | K | 39.5 | Very low | 44.2 | Very low | 132 Ų | 132 | 93 Ų | 93 | 57% | 0.574 | 47% | 0.466 | S | S | * | . | P | Polyproline II helix | trans | -57.8 | 132.5 | 173.5 | -75.6 | -178.5 | 175.8 | -178.2 | 0 | 109.1 | Y339 L343 | Y339-K341 PolarHBondContact O-N 3.23Å; K341-L343 PolarHBondContact O-N 3.46Å |
| 342 | A | 43.9 | Very low | 45.9 | Very low | 55 Ų | 55 | 85.6 Ų | 85.6 | 46% | 0.455 | 43% | 0.427 | S | S | . | . | P | Polyproline II helix | trans | -51.1 | 127.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | K340 H562 | K340-A342 PolarHBondContact O-N 2.86Å; A342-H562 PolarHBondContact O-CE1 2.66Å |
| 343 | L | 44.5 | Very low | 47.3 | Very low | 65 Ų | 65 | 80.1 Ų | 80.1 | 34% | 0.34 | 39% | 0.388 | S | S | . | . | P | Polyproline II helix | trans | -60.4 | 141.1 | -167.4 | -71.6 | 121.4 | 0 | 0 | 0 | 112.6 | K341 T378 | K341-L343 PolarHBondContact O-N 3.46Å; L343-T378 HydrophobicContact CB-CG2 4.45Å; L343-T378 HydrophobicContact CD2-CG2 3.41Å; L343-T378 VanDerWaalsContact CD2-CG2 3.41Å; L343-T378 HydrophobicContact CG-CG2 3.76Å |
| 344 | G | 49.9 | Very low | 48.6 | Very low | 14 Ų | 14 | 76.9 Ų | 76.9 | 14% | 0.144 | 36% | 0.362 | C | S | . | . | P | Polyproline II helix | trans | -82.8 | 130.4 | 175 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 345 | G | 57.4 | Low | 49.7 | Very low | 1 Ų | 1 | 71.2 Ų | 71.2 | 1% | 0.01 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 176.6 | 166.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | T369 | G345-T369 WeakPolarHBondContact CA-O 3.42Å |
| 346 | I | 60.3 | Low | 50.6 | Low | 8 Ų | 8 | 69.3 Ų | 69.3 | 4% | 0.041 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 126.9 | -179.8 | -56.2 | 160 | 0 | 0 | 0 | 108.4 | W368 T369 I371 I385 F388 | I346-W368 WeakPolarHBondContact O-CA 3.04Å; I346-T369 PolarHBondContact N-O 2.85Å; I346-T369 PolarHBondContact O-N 2.99Å; I346-I371 HydrophobicContact CD1-CD1 4.17Å; I346-I371 HydrophobicContact CG1-CD1 4.21Å; I346-I385 HydrophobicContact CD1-CG2 3.7Å; I346-I385 WeakPolarHBondContact CD1-O 3.33Å; I346-I385 HydrophobicContact CG1-CG2 3.26Å; I346-I385 WeakPolarHBondContact CG1-O 3.26Å; I346-F388 HydrophobicContact CD1-CB 3.59Å; I346-F388 HydrophobicContact CD1-CD2 3.86Å; I346-F388 HydrophobicContact CD1-CG 4.07Å |
| 347 | W | 62.2 | Low | 51.6 | Low | 7 Ų | 7 | 64.8 Ų | 64.8 | 3% | 0.027 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 127 | 163.1 | -69.1 | 78.6 | 0 | 0 | 0 | 107.8 | V366 R367 W368 I559 R561 L563 E769 | W347-V366 HydrophobicContact CE3-CG1 3.48Å; W347-V366 VanDerWaalsContact CE3-CG1 3.48Å; W347-V366 HydrophobicContact CZ3-CG1 4Å; W347-R367 WeakPolarHBondContact CA-O 3.45Å; W347-W368 AromaticContact CD1-CD1 3.64Å; W347-W368 HydrophobicContact CD2-CB 4.12Å; W347-W368 AromaticContact CE2-CD1 3.73Å; W347-W368 HydrophobicContact CE3-CB 4.15Å; W347-W368 HydrophobicContact CH2-CB 4.38Å; W347-W368 HydrophobicContact CZ2-CB 4.3Å; W347-W368 HydrophobicContact CZ3-CB 4.29Å; W347-W368 AromaticContact NE1-CD1 3.39Å; W347-I559 CarbonylContact C-O 3.56Å; W347-I559 WeakPolarHBondContact CA-O 3.3Å; W347-I559 HydrophobicContact CB-CG2 4.06Å; W347-I559 PolarHBondContact N-O 3.01Å; W347-I559 PolarHBondContact O-N 3.41Å; W347-R561 HydrophobicContact CG-CB 3.99Å; W347-R561 PolarHBondContact NE1-O 3.4Å; W347-L563 HydrophobicContact CZ2-CD2 3.91Å; W347-E769 HydrophobicContact CZ3-CB 4.39Å; W347-E769 HydrophobicContact CZ3-CG 4.37Å |
| 348 | W | 63.4 | Low | 52.8 | Low | 5 Ų | 5 | 58.6 Ų | 58.6 | 2% | 0.019 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 143 | 175.3 | 50.1 | -95.6 | 0 | 0 | 0 | 109.5 | A350 Q352 V366 R367 T369 P390 F557 | W348-A350 HydrophobicContact CE3-CB 3.71Å; W348-A350 HydrophobicContact CZ3-CB 3.86Å; W348-Q352 VanDerWaalsContact CH2-NE2 3.28Å; W348-Q352 HydrophobicContact CZ3-CG 4.38Å; W348-V366 WeakPolarHBondContact O-CA 3.34Å; W348-R367 HydrophobicContact CD2-CB 4.05Å; W348-R367 HydrophobicContact CE3-CB 4.21Å; W348-R367 HydrophobicContact CH2-CB 3.62Å; W348-R367 HydrophobicContact CH2-CG 3.78Å; W348-R367 HydrophobicContact CZ2-CB 3.37Å; W348-R367 HydrophobicContact CZ2-CG 3.99Å; W348-R367 HydrophobicContact CZ3-CB 4.01Å; W348-R367 HydrophobicContact CZ3-CG 4.2Å; W348-R367 PolarHBondContact N-O 3.32Å; W348-R367 PolarHBondContact O-N 2.71Å; W348-T369 PolarHBondContact NE1-OG1 2.89Å; W348-P390 HydrophobicContact CB-CB 4.15Å; W348-P390 HydrophobicContact CB-CG 3.97Å; W348-P390 HydrophobicContact CD2-CB 3.48Å; W348-P390 VanDerWaalsContact CD2-CB 3.48Å; W348-P390 HydrophobicContact CD2-CG 4.27Å; W348-P390 HydrophobicContact CE3-CB 3.52Å; W348-P390 HydrophobicContact CE3-CG 4.3Å; W348-P390 HydrophobicContact CG-CB 3.8Å; W348-P390 HydrophobicContact CG-CG 4.18Å; W348-P390 HydrophobicContact CH2-CB 4.41Å; W348-P390 HydrophobicContact CZ2-CB 4.43Å; W348-P390 HydrophobicContact CZ3-CB 4Å; W348-F557 WeakPolarHBondContact CA-O 3.32Å |
| 349 | I | 61.7 | Low | 53.9 | Low | 3 Ų | 3 | 54.4 Ų | 54.4 | 2% | 0.015 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 109.2 | 173.6 | -55 | -162.5 | 0 | 0 | 0 | 106.2 | Y364 F365 V366 G556 F557 F762 L765 | I349-Y364 HydrophobicContact CG2-CD1 4.17Å; I349-Y364 HydrophobicContact CG2-CG 4.42Å; I349-F365 VanDerWaalsContact CA-O 3.29Å; I349-F365 WeakPolarHBondContact CA-O 3.43Å; I349-V366 HydrophobicContact CD1-CB 4.5Å; I349-V366 HydrophobicContact CD1-CG1 4.31Å; I349-V366 HydrophobicContact CD1-CG2 3.55Å; I349-V366 HydrophobicContact CG1-CB 4.24Å; I349-V366 HydrophobicContact CG1-CG1 3.98Å; I349-V366 HydrophobicContact CG1-CG2 3.71Å; I349-G556 CarbonylContact O-C 3.51Å; I349-G556 WeakPolarHBondContact O-CA 3.34Å; I349-F557 HydrophobicContact CB-CE1 4.33Å; I349-F557 HydrophobicContact CB-CE2 4.36Å; I349-F557 HydrophobicContact CB-CZ 4.23Å; I349-F557 HydrophobicContact CD1-CE1 4.38Å; I349-F557 HydrophobicContact CD1-CE2 3.79Å; I349-F557 HydrophobicContact CD1-CZ 3.58Å; I349-F557 HydrophobicContact CG1-CE2 4Å; I349-F557 HydrophobicContact CG1-CZ 4.1Å; I349-F557 PolarHBondContact N-O 2.92Å; I349-F557 PolarHBondContact O-N 3.14Å; I349-F762 HydrophobicContact CD1-CD2 4.11Å; I349-L765 HydrophobicContact CD1-CD1 3.89Å |
| 350 | A | 63.5 | Low | 54.9 | Low | 3 Ų | 3 | 46 Ų | 46 | 3% | 0.025 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 152.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | W348 Q352 F365 P390 W555 | W348-A350 HydrophobicContact CE3-CB 3.71Å; W348-A350 HydrophobicContact CZ3-CB 3.86Å; A350-Q352 PolarHBondContact O-N 3.48Å; A350-F365 PolarHBondContact N-O 3.41Å; A350-F365 PolarHBondContact O-N 3.19Å; A350-P390 HydrophobicContact CB-CB 3.81Å; A350-P390 HydrophobicContact CB-CG 3.86Å; A350-W555 VanDerWaalsContact CA-O 3.27Å; A350-W555 WeakPolarHBondContact CA-O 3.48Å |
| 351 | H | 64.6 | Low | 55.6 | Low | 6 Ų | 6 | 45.4 Ų | 45.4 | 3% | 0.028 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 116 | 175.8 | -165.6 | -66.9 | 0 | 0 | 0 | 110.3 | L360 N363 Y364 S444 W445 W555 | H351-L360 PolarHBondContact NE2-O 2.95Å; H351-N363 WeakPolarHBondContact CA-O 3.28Å; H351-N363 WeakPolarHBondContact NE2-CB 3.26Å; H351-Y364 HydrophobicContact CB-CD1 4.46Å; H351-Y364 HydrophobicContact CB-CE1 4.21Å; H351-S444 WeakPolarHBondContact O-CB 3.44Å; H351-W445 AromaticContact CE1-CD1 2.92Å; H351-W445 AromaticContact CE1-CG 3.77Å; H351-W445 AromaticContact CE1-NE1 2.99Å; H351-W445 PolarHBondContact CE1-NE1 3.44Å; H351-W445 AromaticContact ND1-CD1 3.91Å; H351-W445 AromaticContact NE2-CD1 3.55Å; H351-W445 AromaticContact NE2-NE1 3.13Å; H351-W445 PolarHBondContact NE2-NE1 2.92Å; H351-W445 VanDerWaalsContact NE2-NE1 3.13Å; H351-W555 HydrophobicContact CB-CB 4.14Å; H351-W555 PolarHBondContact N-O 2.96Å; H351-W555 VanDerWaalsContact N-O 3.12Å |
| 352 | Q | 65.2 | Low | 56.2 | Low | 4 Ų | 4 | 41.9 Ų | 41.9 | 2% | 0.019 | 25% | 0.249 | C | C | . | . | trans | -135.5 | 162.3 | 179.5 | -58.9 | -167.8 | -41 | 0 | 0 | 112.4 | W348 A350 N363 F365 G441 | W348-Q352 VanDerWaalsContact CH2-NE2 3.28Å; W348-Q352 HydrophobicContact CZ3-CG 4.38Å; A350-Q352 PolarHBondContact O-N 3.48Å; Q352-N363 PolarHBondContact N-O 3.09Å; Q352-N363 WeakPolarHBondContact O-CB 3.34Å; Q352-F365 HydrophobicContact CB-CD2 3.87Å; Q352-F365 HydrophobicContact CB-CE2 4.36Å; Q352-F365 WeakPolarHBondContact O-CE2 3.46Å; Q352-G441 PolarHBondContact NE2-O 2.98Å; Q352-G441 VanDerWaalsContact OE1-CA 3.3Å | ||
| 353 | T | 62.5 | Low | 56.8 | Low | 2 Ų | 2 | 39.5 Ų | 39.5 | 1% | 0.012 | 23% | 0.229 | C | C | . | . | trans | -71.6 | 143.1 | 168.8 | 48.2 | 0 | 0 | 0 | 0 | 111 | F438 H439 P440 G441 L443 W445 I448 L473 | T353-F438 HydrophobicContact CG2-CD1 4.36Å; T353-H439 PolarHBondContact OG1-O 2.72Å; T353-P440 CarbonylContact O-C 3.6Å; T353-P440 WeakPolarHBondContact O-CA 3.23Å; T353-G441 PolarHBondContact O-N 3.47Å; T353-L443 VanDerWaalsContact CG2-O 3.31Å; T353-L443 WeakPolarHBondContact CG2-O 3.4Å; T353-L443 PolarHBondContact N-O 2.91Å; T353-L443 PolarHBondContact OG1-O 3.31Å; T353-L443 VanDerWaalsContact OG1-O 3.06Å; T353-W445 HydrophobicContact CG2-CB 4.2Å; T353-I448 HydrophobicContact CG2-CD1 3.76Å; T353-L473 HydrophobicContact CG2-CD1 4.4Å; T353-L473 HydrophobicContact CG2-CD2 4.16Å | ||
| 354 | N | 59.6 | Low | 57.4 | Low | 46 Ų | 46 | 41.3 Ų | 41.3 | 25% | 0.246 | 23% | 0.232 | C | C | . | . | trans | -132.5 | 151 | 172.4 | -173.9 | 16.3 | 0 | 0 | 0 | 110.3 | E356 F365 L473 | N354-E356 VanDerWaalsContact C-N 3.33Å; N354-E356 PolarHBondContact OD1-N 2.72Å; N354-F365 HydrophobicContact CB-CE1 4.04Å; N354-F365 HydrophobicContact CB-CE2 3.96Å; N354-F365 HydrophobicContact CB-CZ 3.33Å; N354-L473 WeakPolarHBondContact O-CD1 3.38Å | ||
| 355 | A | 56.4 | Low | 57.7 | Low | 74 Ų | 74 | 42.7 Ų | 42.7 | 61% | 0.612 | 23% | 0.234 | S | C | * | . | S | Bend | trans | -73.5 | -24.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | P440 | A355-P440 HydrophobicContact CB-CG 3.7Š|
| 356 | E | 50.1 | Low | 57.7 | Low | 74 Ų | 74 | 42.9 Ų | 42.9 | 35% | 0.346 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -100.3 | 104.1 | -167.8 | -62.8 | 178.9 | 179 | 0 | 0 | 113 | N354 | N354-E356 VanDerWaalsContact C-N 3.33Å; N354-E356 PolarHBondContact OD1-N 2.72Å |
| 357 | N | 49.8 | Very low | 57.6 | Low | 132 Ų | 132 | 47.6 Ų | 47.6 | 71% | 0.706 | 25% | 0.252 | S | S | * | . | trans | 59.5 | 170.9 | 157.7 | -75 | -32.2 | 0 | 0 | 0 | 119.8 | D359 | N357-D359 PolarHBondContact O-N 3.11Š| ||
| 358 | T | 53.9 | Low | 57.4 | Low | 74 Ų | 74 | 49.8 Ų | 49.8 | 45% | 0.454 | 26% | 0.261 | S | S | . | . | S | Bend | -108.7 | 16.1 | -103.8 | 51 | 0 | 0 | 0 | 0 | 113.9 | S471 N472 | T358-S471 CarbonylContact O-C 3.07Å; T358-N472 HydrophobicContact CG2-CB 4.35Å; T358-N472 VanDerWaalsContact O-CB 3.22Å; T358-N472 WeakPolarHBondContact O-CB 3.49Å | |
| 359 | D | 55 | Low | 57.1 | Low | 96 Ų | 96 | 50.6 Ų | 50.6 | 51% | 0.513 | 27% | 0.266 | S | S | . | . | trans | -129 | 122.8 | -177.6 | -73.8 | -35.9 | 0 | 0 | 0 | 111.3 | N357 D361 S362 S471 | N357-D359 PolarHBondContact O-N 3.11Å; D359-D361 PolarHBondContact O-N 2.83Å; D359-D361 VanDerWaalsContact O-N 3.14Å; D359-S362 PolarHBondContact O-N 3.41Å; D359-S362 PolarHBondContact O-OG 3.26Å; D359-S471 WeakPolarHBondContact CA-O 3.36Å | ||
| 360 | L | 53.9 | Low | 56.9 | Low | 14 Ų | 14 | 52.7 Ų | 52.7 | 7% | 0.073 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -59.1 | -24.9 | -179.4 | -68 | 177.3 | 0 | 0 | 0 | 113.8 | H351 N363 W445 V470 S471 L473 | H351-L360 PolarHBondContact NE2-O 2.95Å; L360-N363 PolarHBondContact O-ND2 3.19Å; L360-W445 HydrophobicContact CB-CZ2 3.9Å; L360-W445 HydrophobicContact CD1-CD2 4.33Å; L360-W445 HydrophobicContact CD1-CE3 4.38Å; L360-W445 HydrophobicContact CD1-CH2 3.99Å; L360-W445 HydrophobicContact CD1-CZ2 3.88Å; L360-W445 HydrophobicContact CD1-CZ3 4.22Å; L360-W445 HydrophobicContact CD2-CD2 3.94Å; L360-W445 HydrophobicContact CD2-CG 3.86Å; L360-W445 HydrophobicContact CG-CZ2 4.33Å; L360-W445 PolarHBondContact O-NE1 3.4Å; L360-V470 WeakPolarHBondContact CD1-O 3.12Å; L360-S471 PolarHBondContact N-O 3.28Å; L360-L473 HydrophobicContact CD2-CD2 3.68Å; L360-L473 HydrophobicContact CD2-CG 3.99Å |
| 361 | D | 51 | Low | 56.4 | Low | 139 Ų | 139 | 53.6 Ų | 53.6 | 74% | 0.743 | 28% | 0.28 | S | S | * | . | G | 310 helix | trans | -77.5 | -19.7 | -175.6 | -79.4 | -14.4 | 0 | 0 | 0 | 114.4 | D359 | D359-D361 PolarHBondContact O-N 2.83Å; D359-D361 VanDerWaalsContact O-N 3.14Å |
| 362 | S | 51.4 | Low | 55.5 | Low | 58 Ų | 58 | 57.2 Ų | 57.2 | 41% | 0.406 | 30% | 0.297 | S | S | . | . | G | 310 helix | trans | -86.6 | -0.4 | -179.5 | 39.1 | 0 | 0 | 0 | 0 | 115 | D359 Y364 | D359-S362 PolarHBondContact O-N 3.41Å; D359-S362 PolarHBondContact O-OG 3.26Å; S362-Y364 VanDerWaalsContact C-N 3.3Å; S362-Y364 PolarHBondContact O-N 3.45Å; S362-Y364 VanDerWaalsContact O-N 3.09Å |
| 363 | N | 56.2 | Low | 54.6 | Low | 5 Ų | 5 | 60 Ų | 60 | 3% | 0.027 | 31% | 0.312 | C | S | . | . | trans | -86.1 | 26.6 | -162.9 | -70.4 | -26.2 | 0 | 0 | 0 | 116.2 | H351 Q352 L360 F365 | H351-N363 WeakPolarHBondContact CA-O 3.28Å; H351-N363 WeakPolarHBondContact NE2-CB 3.26Å; Q352-N363 PolarHBondContact N-O 3.09Å; Q352-N363 WeakPolarHBondContact O-CB 3.34Å; L360-N363 PolarHBondContact O-ND2 3.19Å; N363-F365 HydrophobicContact CB-CE2 3.92Å; N363-F365 HydrophobicContact CB-CZ 4.42Å; N363-F365 WeakPolarHBondContact O-CD2 3.39Å; N363-F365 WeakPolarHBondContact O-CE2 3.4Å | ||
| 364 | Y | 58.2 | Low | 53.7 | Low | 102 Ų | 102 | 63.9 Ų | 63.9 | 40% | 0.4 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 109.6 | 168.6 | -73.4 | -85.2 | 0 | 0 | 0 | 108.8 | I349 H351 S362 | I349-Y364 HydrophobicContact CG2-CD1 4.17Å; I349-Y364 HydrophobicContact CG2-CG 4.42Å; H351-Y364 HydrophobicContact CB-CD1 4.46Å; H351-Y364 HydrophobicContact CB-CE1 4.21Å; S362-Y364 VanDerWaalsContact C-N 3.3Å; S362-Y364 PolarHBondContact O-N 3.45Å; S362-Y364 VanDerWaalsContact O-N 3.09Å |
| 365 | F | 55.1 | Low | 53.1 | Low | 44 Ų | 44 | 68.1 Ų | 68.1 | 19% | 0.193 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 131.6 | -179.6 | -62.9 | -80.8 | 0 | 0 | 0 | 109.7 | I349 A350 Q352 N354 N363 R367 | I349-F365 VanDerWaalsContact CA-O 3.29Å; I349-F365 WeakPolarHBondContact CA-O 3.43Å; A350-F365 PolarHBondContact N-O 3.41Å; A350-F365 PolarHBondContact O-N 3.19Å; Q352-F365 HydrophobicContact CB-CD2 3.87Å; Q352-F365 HydrophobicContact CB-CE2 4.36Å; Q352-F365 WeakPolarHBondContact O-CE2 3.46Å; N354-F365 HydrophobicContact CB-CE1 4.04Å; N354-F365 HydrophobicContact CB-CE2 3.96Å; N354-F365 HydrophobicContact CB-CZ 3.33Å; N363-F365 HydrophobicContact CB-CE2 3.92Å; N363-F365 HydrophobicContact CB-CZ 4.42Å; N363-F365 WeakPolarHBondContact O-CD2 3.39Å; N363-F365 WeakPolarHBondContact O-CE2 3.4Å; F365-R367 HydrophobicContact CB-CG 4.47Å |
| 366 | V | 57.4 | Low | 52.6 | Low | 5 Ų | 5 | 68.8 Ų | 68.8 | 3% | 0.03 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 115.1 | 166.6 | -163.8 | 0 | 0 | 0 | 0 | 106.4 | W347 W348 I349 L765 E769 | W347-V366 HydrophobicContact CE3-CG1 3.48Å; W347-V366 VanDerWaalsContact CE3-CG1 3.48Å; W347-V366 HydrophobicContact CZ3-CG1 4Å; W348-V366 WeakPolarHBondContact O-CA 3.34Å; I349-V366 HydrophobicContact CD1-CB 4.5Å; I349-V366 HydrophobicContact CD1-CG1 4.31Å; I349-V366 HydrophobicContact CD1-CG2 3.55Å; I349-V366 HydrophobicContact CG1-CB 4.24Å; I349-V366 HydrophobicContact CG1-CG1 3.98Å; I349-V366 HydrophobicContact CG1-CG2 3.71Å; V366-L765 HydrophobicContact CG2-CB 3.45Å; V366-L765 VanDerWaalsContact CG2-CB 3.45Å; V366-L765 HydrophobicContact CG2-CD1 3.6Å; V366-L765 HydrophobicContact CG2-CD2 4.37Å; V366-L765 HydrophobicContact CG2-CG 3.99Å; V366-E769 HydrophobicContact CB-CG 4.44Å |
| 367 | R | 58.3 | Low | 52.4 | Low | 107 Ų | 107 | 70.3 Ų | 70.3 | 40% | 0.404 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 146.5 | 172.8 | -71.7 | -160.3 | -174.7 | 178.6 | -0.2 | 109.9 | W347 W348 F365 | W347-R367 WeakPolarHBondContact CA-O 3.45Å; W348-R367 HydrophobicContact CD2-CB 4.05Å; W348-R367 HydrophobicContact CE3-CB 4.21Å; W348-R367 HydrophobicContact CH2-CB 3.62Å; W348-R367 HydrophobicContact CH2-CG 3.78Å; W348-R367 HydrophobicContact CZ2-CB 3.37Å; W348-R367 HydrophobicContact CZ2-CG 3.99Å; W348-R367 HydrophobicContact CZ3-CB 4.01Å; W348-R367 HydrophobicContact CZ3-CG 4.2Å; W348-R367 PolarHBondContact N-O 3.32Å; W348-R367 PolarHBondContact O-N 2.71Å; F365-R367 HydrophobicContact CB-CG 4.47Å |
| 368 | W | 58.2 | Low | 52.2 | Low | 53 Ų | 53 | 65.7 Ų | 65.7 | 20% | 0.201 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 141.2 | 170.1 | 179.9 | 77.7 | 0 | 0 | 0 | 109.5 | I346 W347 E370 L563 W571 | I346-W368 WeakPolarHBondContact O-CA 3.04Å; W347-W368 AromaticContact CD1-CD1 3.64Å; W347-W368 HydrophobicContact CD2-CB 4.12Å; W347-W368 AromaticContact CE2-CD1 3.73Å; W347-W368 HydrophobicContact CE3-CB 4.15Å; W347-W368 HydrophobicContact CH2-CB 4.38Å; W347-W368 HydrophobicContact CZ2-CB 4.3Å; W347-W368 HydrophobicContact CZ3-CB 4.29Å; W347-W368 AromaticContact NE1-CD1 3.39Å; W368-E370 HydrophobicContact CE3-CB 4.29Å; W368-E370 VanDerWaalsContact CH2-CA 3.5Å; W368-E370 HydrophobicContact CH2-CB 3.22Å; W368-E370 HydrophobicContact CH2-CG 3.3Å; W368-E370 HydrophobicContact CZ2-CB 3.89Å; W368-E370 HydrophobicContact CZ2-CG 3.93Å; W368-E370 HydrophobicContact CZ3-CB 3.44Å; W368-E370 VanDerWaalsContact CZ3-CB 3.44Å; W368-E370 HydrophobicContact CZ3-CG 4Å; W368-L563 HydrophobicContact CD2-CD1 4.39Å; W368-L563 HydrophobicContact CD2-CD2 4.04Å; W368-L563 HydrophobicContact CD2-CG 4.47Å; W368-L563 HydrophobicContact CG-CD2 4.14Å; W368-L563 HydrophobicContact CH2-CD1 3.63Å; W368-L563 HydrophobicContact CZ2-CD1 3.45Å; W368-L563 VanDerWaalsContact CZ2-CD1 3.45Å; W368-L563 HydrophobicContact CZ2-CD2 4.46Å; W368-L563 HydrophobicContact CZ2-CG 4.03Å; W368-L563 HydrophobicContact CZ3-CD1 4.23Å; W368-W571 HydrophobicContact CZ3-CB 4.36Å |
| 369 | T | 57.5 | Low | 51.7 | Low | 21 Ų | 21 | 67.8 Ų | 67.8 | 13% | 0.129 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 118 | 172.8 | -49 | 0 | 0 | 0 | 0 | 109.2 | G345 I346 W348 V392 | G345-T369 WeakPolarHBondContact CA-O 3.42Å; I346-T369 PolarHBondContact N-O 2.85Å; I346-T369 PolarHBondContact O-N 2.99Å; W348-T369 PolarHBondContact NE1-OG1 2.89Å; T369-V392 VanDerWaalsContact CG2-O 3.25Å; T369-V392 WeakPolarHBondContact CG2-O 3.16Å |
| 370 | E | 56.6 | Low | 51.2 | Low | 48 Ų | 48 | 67.1 Ų | 67.1 | 22% | 0.224 | 33% | 0.333 | C | S | . | . | trans | -66.9 | 137.7 | 177.9 | -164.1 | 173.2 | -176.8 | 0 | 0 | 110.4 | W368 Q372 N572 | W368-E370 HydrophobicContact CE3-CB 4.29Å; W368-E370 VanDerWaalsContact CH2-CA 3.5Å; W368-E370 HydrophobicContact CH2-CB 3.22Å; W368-E370 HydrophobicContact CH2-CG 3.3Å; W368-E370 HydrophobicContact CZ2-CB 3.89Å; W368-E370 HydrophobicContact CZ2-CG 3.93Å; W368-E370 HydrophobicContact CZ3-CB 3.44Å; W368-E370 VanDerWaalsContact CZ3-CB 3.44Å; W368-E370 HydrophobicContact CZ3-CG 4Å; E370-Q372 VanDerWaalsContact CD-CG 3.4Å; E370-Q372 HydrophobicContact CG-CG 3.76Å; E370-Q372 WeakPolarHBondContact OE1-CG 3.31Å; E370-Q372 PolarHBondContact OE2-NE2 2.65Å; E370-N572 PolarHBondContact OE1-OD1 3.14Å | ||
| 371 | I | 53 | Low | 50.8 | Low | 22 Ų | 22 | 69.1 Ų | 69.1 | 11% | 0.113 | 34% | 0.34 | C | S | . | . | trans | -107.8 | 88.2 | 170.3 | -61.4 | 178 | 0 | 0 | 0 | 107.1 | I346 N373 I385 L394 | I346-I371 HydrophobicContact CD1-CD1 4.17Å; I346-I371 HydrophobicContact CG1-CD1 4.21Å; I371-N373 VanDerWaalsContact C-N 3.34Å; I371-N373 PolarHBondContact O-N 3.4Å; I371-I385 HydrophobicContact CD1-CB 4.32Å; I371-I385 HydrophobicContact CD1-CD1 4.25Å; I371-I385 HydrophobicContact CD1-CG1 4.14Å; I371-I385 HydrophobicContact CD1-CG2 3.28Å; I371-L394 HydrophobicContact CB-CD1 3.91Å; I371-L394 HydrophobicContact CD1-CD1 4.07Å; I371-L394 HydrophobicContact CG1-CD1 3.65Å; I371-L394 HydrophobicContact CG2-CD1 3.35Å | ||
| 372 | Q | 46.3 | Very low | 50.6 | Low | 81 Ų | 81 | 65.4 Ų | 65.4 | 38% | 0.379 | 32% | 0.315 | S | S | . | . | trans | -78 | 84.6 | 174.7 | -68.6 | -173.7 | 6.8 | 0 | 0 | 109.3 | E370 L395 | E370-Q372 VanDerWaalsContact CD-CG 3.4Å; E370-Q372 HydrophobicContact CG-CG 3.76Å; E370-Q372 WeakPolarHBondContact OE1-CG 3.31Å; E370-Q372 PolarHBondContact OE2-NE2 2.65Å; Q372-L395 HydrophobicContact CB-CD1 4.36Å | ||
| 373 | N | 45.8 | Very low | 50.5 | Low | 64 Ų | 64 | 63.8 Ų | 63.8 | 34% | 0.342 | 31% | 0.308 | S | S | . | . | trans | -137.3 | 101.7 | 160 | -153.1 | -18.3 | 0 | 0 | 0 | 110.8 | I371 D375 Y376 | I371-N373 VanDerWaalsContact C-N 3.34Å; I371-N373 PolarHBondContact O-N 3.4Å; N373-D375 PolarHBondContact O-N 3.44Å; N373-Y376 HydrophobicContact CB-CD2 4.08Å; N373-Y376 WeakPolarHBondContact ND2-CD2 3.33Å | ||
| 374 | P | 44.8 | Very low | 50.2 | Low | 82 Ų | 82 | 63.9 Ų | 63.9 | 53% | 0.532 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -13.3 | -170.1 | 26.7 | -33.8 | 0 | 0 | 0 | 114.7 | K340 | K340-P374 PolarHBondContact NZ-O 3.13Š|
| 375 | D | 46.7 | Very low | 50 | Low | 135 Ų | 135 | 60.6 Ų | 60.6 | 72% | 0.722 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.1 | -2.9 | -174.8 | -74.9 | -26.9 | 0 | 0 | 0 | 115.4 | K340 N373 D377 | K340-D375 IonicContact NZ-OD1 2.82Å; N373-D375 PolarHBondContact O-N 3.44Å; D375-D377 PolarHBondContact O-N 3.21Å |
| 376 | Y | 45.1 | Very low | 50 | Low | 88 Ų | 88 | 58.6 Ų | 58.6 | 35% | 0.345 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -83.4 | 120.6 | 176.2 | -91.7 | -76.9 | 0 | 0 | 0 | 112 | Q285 N373 T378 | Q285-Y376 PolarHBondContact O-OH 3.24Å; N373-Y376 HydrophobicContact CB-CD2 4.08Å; N373-Y376 WeakPolarHBondContact ND2-CD2 3.33Å; Y376-T378 PolarHBondContact O-N 3.37Å |
| 377 | D | 46.6 | Very low | 49.9 | Very low | 106 Ų | 106 | 58.9 Ų | 58.9 | 57% | 0.567 | 29% | 0.292 | S | S | * | . | trans | -61.6 | 96.6 | 174.4 | -165 | 4.1 | 0 | 0 | 0 | 110.3 | D375 K379 N380 | D375-D377 PolarHBondContact O-N 3.21Å; D377-K379 PolarHBondContact O-N 3.48Å; D377-N380 PolarHBondContact O-N 3.04Å | ||
| 378 | T | 44.4 | Very low | 49.9 | Very low | 35 Ų | 35 | 54.7 Ų | 54.7 | 22% | 0.215 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -17 | -168.2 | 51.5 | 0 | 0 | 0 | 0 | 114.2 | L343 Y376 | L343-T378 HydrophobicContact CB-CG2 4.45Å; L343-T378 HydrophobicContact CD2-CG2 3.41Å; L343-T378 VanDerWaalsContact CD2-CG2 3.41Å; L343-T378 HydrophobicContact CG-CG2 3.76Å; Y376-T378 PolarHBondContact O-N 3.37Å |
| 379 | K | 44.3 | Very low | 49.9 | Very low | 119 Ų | 119 | 53 Ų | 53 | 52% | 0.517 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -38.1 | 180 | -70.5 | -172.6 | 176.1 | -172.9 | 0 | 112.6 | D377 | D377-K379 PolarHBondContact O-N 3.48Š|
| 380 | N | 44.5 | Very low | 50 | Low | 82 Ų | 82 | 52 Ų | 52 | 44% | 0.439 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -87.2 | -6.9 | -169.6 | -78.9 | -18.5 | 0 | 0 | 0 | 115.1 | R279 D377 | R279-N380 PolarHBondContact NH2-O 3.4Å; D377-N380 PolarHBondContact O-N 3.04Å |
| 381 | R | 44.9 | Very low | 50 | Low | 56 Ų | 56 | 50.9 Ų | 50.9 | 21% | 0.211 | 27% | 0.267 | C | S | . | . | trans | -134 | 18.2 | -167.2 | -69.3 | -163.3 | -175.2 | -174.1 | 5.7 | 116.6 | G383 T384 I385 | R381-G383 VanDerWaalsContact C-N 3.26Å; R381-G383 PolarHBondContact O-N 3.23Å; R381-T384 WeakPolarHBondContact CB-OG1 3.39Å; R381-T384 PolarHBondContact O-N 2.91Å; R381-T384 PolarHBondContact O-OG1 3.18Å; R381-I385 WeakPolarHBondContact O-CG1 3.45Å | ||
| 382 | R | 46.6 | Very low | 50 | Low | 61 Ų | 61 | 50.2 Ų | 50.2 | 23% | 0.23 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -58.8 | -35 | 178.4 | -74.8 | -179.7 | 179.2 | -161.8 | -12.3 | 113.3 | D546 L560 H562 | R382-D546 IonicContact NH1-OD1 2.63Å; R382-L560 HydrophobicContact CB-CD2 4.1Å; R382-L560 HydrophobicContact CG-CD2 4.22Å; R382-H562 PolarHBondContact NH2-NE2 2.86Å |
| 383 | G | 51 | Low | 50.3 | Low | 24 Ų | 24 | 49.1 Ų | 49.1 | 25% | 0.247 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -71.2 | -43 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | R381 I385 S386 | R381-G383 VanDerWaalsContact C-N 3.26Å; R381-G383 PolarHBondContact O-N 3.23Å; G383-I385 PolarHBondContact O-N 2.66Å; G383-S386 PolarHBondContact O-N 3.35Å; G383-S386 PolarHBondContact O-OG 3.32Å |
| 384 | T | 49.4 | Very low | 50.4 | Low | 6 Ų | 6 | 48.1 Ų | 48.1 | 4% | 0.037 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60 | -33.9 | -178 | 44.6 | 0 | 0 | 0 | 0 | 112.8 | E281 L283 R381 S386 A387 | E281-T384 HydrophobicContact CB-CG2 3.89Å; E281-T384 WeakPolarHBondContact OE2-CG2 3.4Å; L283-T384 WeakPolarHBondContact CD2-O 3.44Å; R381-T384 WeakPolarHBondContact CB-OG1 3.39Å; R381-T384 PolarHBondContact O-N 2.91Å; R381-T384 PolarHBondContact O-OG1 3.18Å; T384-S386 VanDerWaalsContact C-N 3.33Å; T384-S386 PolarHBondContact O-N 3.12Å; T384-A387 WeakPolarHBondContact O-CB 3.1Å; T384-A387 PolarHBondContact O-N 3.41Å |
| 385 | I | 53.7 | Low | 50.3 | Low | 33 Ų | 33 | 48.7 Ų | 48.7 | 17% | 0.169 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.8 | -31.1 | -175.5 | -69.7 | 168.8 | 0 | 0 | 0 | 112.4 | I346 I371 R381 G383 A387 F388 L560 | I346-I385 HydrophobicContact CD1-CG2 3.7Å; I346-I385 WeakPolarHBondContact CD1-O 3.33Å; I346-I385 HydrophobicContact CG1-CG2 3.26Å; I346-I385 WeakPolarHBondContact CG1-O 3.26Å; I371-I385 HydrophobicContact CD1-CB 4.32Å; I371-I385 HydrophobicContact CD1-CD1 4.25Å; I371-I385 HydrophobicContact CD1-CG1 4.14Å; I371-I385 HydrophobicContact CD1-CG2 3.28Å; R381-I385 WeakPolarHBondContact O-CG1 3.45Å; G383-I385 PolarHBondContact O-N 2.66Å; I385-A387 PolarHBondContact O-N 3.06Å; I385-F388 WeakPolarHBondContact O-CD2 3.44Å; I385-F388 PolarHBondContact O-N 2.93Å; I385-L560 HydrophobicContact CB-CD1 3.99Å; I385-L560 HydrophobicContact CG2-CD1 3.62Å |
| 386 | S | 55.6 | Low | 50.2 | Low | 2 Ų | 2 | 45.3 Ų | 45.3 | 1% | 0.014 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -16.3 | -180 | 64.4 | 0 | 0 | 0 | 0 | 114.5 | G383 T384 S558 | G383-S386 PolarHBondContact O-N 3.35Å; G383-S386 PolarHBondContact O-OG 3.32Å; T384-S386 VanDerWaalsContact C-N 3.33Å; T384-S386 PolarHBondContact O-N 3.12Å; S386-S558 VanDerWaalsContact O-CB 3.25Å; S386-S558 WeakPolarHBondContact O-CB 3.29Å |
| 387 | A | 55.3 | Low | 50.2 | Low | 12 Ų | 12 | 43.6 Ų | 43.6 | 10% | 0.099 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -13.7 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y231 W257 L283 T384 I385 R553 | Y231-A387 HydrophobicContact CE2-CB 4.3Å; W257-A387 HydrophobicContact CZ2-CB 4.2Å; L283-A387 HydrophobicContact CD2-CB 3.51Å; T384-A387 WeakPolarHBondContact O-CB 3.1Å; T384-A387 PolarHBondContact O-N 3.41Å; I385-A387 PolarHBondContact O-N 3.06Å; A387-R553 VanDerWaalsContact C-NH2 3.31Å; A387-R553 PolarHBondContact O-NH2 3.35Å |
| 388 | F | 57.3 | Low | 50.5 | Low | 19 Ų | 19 | 40.7 Ų | 40.7 | 8% | 0.083 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -67.1 | 141.7 | 179.9 | -71 | -93.2 | 0 | 0 | 0 | 111.9 | F284 I346 I385 V392 L394 R553 | F284-F388 HydrophobicContact CD1-CZ 4.43Å; F284-F388 AromaticContact CE1-CE1 3.51Å; F284-F388 HydrophobicContact CE1-CE1 3.51Å; F284-F388 AromaticContact CE1-CZ 3.51Å; F284-F388 HydrophobicContact CE1-CZ 3.51Å; F284-F388 HydrophobicContact CE2-CE1 4.01Å; F284-F388 HydrophobicContact CE2-CZ 4.11Å; F284-F388 HydrophobicContact CZ-CD1 4.12Å; F284-F388 AromaticContact CZ-CE1 3.08Å; F284-F388 HydrophobicContact CZ-CE1 3.08Å; F284-F388 AromaticContact CZ-CZ 3.37Å; F284-F388 HydrophobicContact CZ-CZ 3.37Å; I346-F388 HydrophobicContact CD1-CB 3.59Å; I346-F388 HydrophobicContact CD1-CD2 3.86Å; I346-F388 HydrophobicContact CD1-CG 4.07Å; I385-F388 WeakPolarHBondContact O-CD2 3.44Å; I385-F388 PolarHBondContact O-N 2.93Å; F388-V392 HydrophobicContact CD1-CG1 4.29Å; F388-L394 HydrophobicContact CD1-CD2 4.26Å; F388-L394 HydrophobicContact CE1-CD2 3.43Å; F388-L394 VanDerWaalsContact CE1-CD2 3.43Å; F388-L394 HydrophobicContact CE1-CG 4.45Å; F388-L394 HydrophobicContact CZ-CD2 3.73Å; F388-R553 PolarHBondContact O-NH2 2.87Å |
| 389 | P | 58.6 | Low | 51.1 | Low | 16 Ų | 16 | 39.5 Ų | 39.5 | 10% | 0.104 | 21% | 0.212 | C | C | . | . | trans | -59.5 | 147.1 | 173.6 | -12.6 | 21.3 | 0 | 0 | 0 | 111.7 | G391 V392 L516 | P389-G391 PolarHBondContact O-N 3.23Å; P389-V392 HydrophobicContact CB-CG2 3.85Å; P389-V392 HydrophobicContact CG-CG2 3.84Å; P389-V392 WeakPolarHBondContact O-CG2 3.28Å; P389-V392 PolarHBondContact O-N 3.31Å; P389-L516 HydrophobicContact CB-CD1 4.25Å | ||
| 390 | P | 60 | Low | 51.9 | Low | 2 Ų | 2 | 36.9 Ų | 36.9 | 1% | 0.013 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -43.2 | 126.9 | 164 | -32.8 | 38 | 0 | 0 | 0 | 113.2 | W348 A350 L516 | W348-P390 HydrophobicContact CB-CB 4.15Å; W348-P390 HydrophobicContact CB-CG 3.97Å; W348-P390 HydrophobicContact CD2-CB 3.48Å; W348-P390 VanDerWaalsContact CD2-CB 3.48Å; W348-P390 HydrophobicContact CD2-CG 4.27Å; W348-P390 HydrophobicContact CE3-CB 3.52Å; W348-P390 HydrophobicContact CE3-CG 4.3Å; W348-P390 HydrophobicContact CG-CB 3.8Å; W348-P390 HydrophobicContact CG-CG 4.18Å; W348-P390 HydrophobicContact CH2-CB 4.41Å; W348-P390 HydrophobicContact CZ2-CB 4.43Å; W348-P390 HydrophobicContact CZ3-CB 4Å; A350-P390 HydrophobicContact CB-CB 3.81Å; A350-P390 HydrophobicContact CB-CG 3.86Å; P390-L516 HydrophobicContact CB-CD2 4.16Å; P390-L516 HydrophobicContact CG-CD2 3.87Å |
| 391 | G | 55.4 | Low | 52.8 | Low | 23 Ų | 23 | 33.2 Ų | 33.2 | 24% | 0.237 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 88.3 | 0.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | P389 N393 | P389-G391 PolarHBondContact O-N 3.23Å; G391-N393 PolarHBondContact O-N 3.11Å |
| 392 | V | 54.7 | Low | 53.7 | Low | 9 Ų | 9 | 34.9 Ų | 34.9 | 6% | 0.055 | 20% | 0.196 | C | C | . | . | trans | -77.2 | 106.9 | 178.3 | 177.8 | 0 | 0 | 0 | 0 | 110.7 | I318 T369 F388 P389 P399 | I318-V392 HydrophobicContact CD1-CB 4.31Å; I318-V392 HydrophobicContact CD1-CG1 3.66Å; I318-V392 HydrophobicContact CD1-CG2 3.6Å; I318-V392 HydrophobicContact CG1-CG1 4.16Å; I318-V392 HydrophobicContact CG2-CG1 4.49Å; T369-V392 VanDerWaalsContact CG2-O 3.25Å; T369-V392 WeakPolarHBondContact CG2-O 3.16Å; F388-V392 HydrophobicContact CD1-CG1 4.29Å; P389-V392 HydrophobicContact CB-CG2 3.85Å; P389-V392 HydrophobicContact CG-CG2 3.84Å; P389-V392 WeakPolarHBondContact O-CG2 3.28Å; P389-V392 PolarHBondContact O-N 3.31Å; V392-P399 HydrophobicContact CG2-CG 4.29Å | ||
| 393 | N | 52.5 | Low | 54.5 | Low | 58 Ų | 58 | 37.4 Ų | 37.4 | 31% | 0.31 | 21% | 0.205 | S | C | . | . | trans | -84 | 116.1 | 168.5 | -173.5 | -10 | 0 | 0 | 0 | 109.1 | G391 L395 E396 | G391-N393 PolarHBondContact O-N 3.11Å; N393-L395 PolarHBondContact O-N 3.49Å; N393-L395 PolarHBondContact OD1-N 3.08Å; N393-E396 HydrophobicContact CB-CB 4.49Å; N393-E396 HydrophobicContact CB-CG 4.39Å; N393-E396 PolarHBondContact O-N 3.37Å | ||
| 394 | L | 47.5 | Very low | 55.1 | Low | 42 Ų | 42 | 40.4 Ų | 40.4 | 22% | 0.22 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -15.7 | -178.1 | -75.6 | 170.6 | 0 | 0 | 0 | 114.3 | F284 I371 F388 | F284-L394 HydrophobicContact CE1-CD2 4.33Å; I371-L394 HydrophobicContact CB-CD1 3.91Å; I371-L394 HydrophobicContact CD1-CD1 4.07Å; I371-L394 HydrophobicContact CG1-CD1 3.65Å; I371-L394 HydrophobicContact CG2-CD1 3.35Å; F388-L394 HydrophobicContact CD1-CD2 4.26Å; F388-L394 HydrophobicContact CE1-CD2 3.43Å; F388-L394 VanDerWaalsContact CE1-CD2 3.43Å; F388-L394 HydrophobicContact CE1-CG 4.45Å; F388-L394 HydrophobicContact CZ-CD2 3.73Å |
| 395 | L | 42.4 | Very low | 55.8 | Low | 94 Ų | 94 | 40.4 Ų | 40.4 | 49% | 0.492 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -17.1 | 174.9 | -63.5 | 171.1 | 0 | 0 | 0 | 112.8 | Q372 N393 | Q372-L395 HydrophobicContact CB-CD1 4.36Å; N393-L395 PolarHBondContact O-N 3.49Å; N393-L395 PolarHBondContact OD1-N 3.08Å |
| 396 | E | 44.3 | Very low | 56.2 | Low | 65 Ų | 65 | 44.6 Ų | 44.6 | 30% | 0.304 | 24% | 0.24 | S | C | . | . | trans | -105.5 | 122.5 | -179.4 | -65.5 | -159.9 | 122.8 | 0 | 0 | 110.4 | N393 V398 R403 | N393-E396 HydrophobicContact CB-CB 4.49Å; N393-E396 HydrophobicContact CB-CG 4.39Å; N393-E396 PolarHBondContact O-N 3.37Å; E396-V398 PolarHBondContact O-N 3.45Å; E396-R403 IonicContact OE1-CZ 3.18Å; E396-R403 IonicContact OE1-NH1 2.62Å; E396-R403 PolarHBondContact OE1-NH1 3.46Å; E396-R403 VanDerWaalsContact OE1-NH1 3.12Å; E396-R403 IonicContact OE1-NH2 2.78Å; E396-R403 PolarHBondContact OE1-NH2 2.81Å; E396-R403 IonicContact OE2-NH2 3.71Å; E396-R403 PolarHBondContact OE2-NH2 3.5Å | ||
| 397 | P | 45.3 | Very low | 56.5 | Low | 52 Ų | 52 | 48.1 Ų | 48.1 | 34% | 0.338 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -67.7 | -20.5 | -176.3 | 26.9 | -34.4 | 0 | 0 | 0 | 113 | ||
| 398 | V | 52.4 | Low | 56.8 | Low | 45 Ų | 45 | 48 Ų | 48 | 27% | 0.273 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -135.8 | 121.2 | -178.6 | -179.3 | 0 | 0 | 0 | 0 | 107.6 | E396 Y402 R403 | E396-V398 PolarHBondContact O-N 3.45Å; V398-Y402 HydrophobicContact CG1-CD1 3.61Å; V398-Y402 HydrophobicContact CG1-CG 4.06Å; V398-R403 HydrophobicContact CG1-CG 4.05Å; V398-R403 PolarHBondContact O-NE 2.98Å; V398-R403 PolarHBondContact O-NH2 3.27Å |
| 399 | P | 56.6 | Low | 56.8 | Low | 10 Ų | 10 | 50.6 Ų | 50.6 | 7% | 0.065 | 27% | 0.269 | C | S | . | . | trans | -52.4 | 144.6 | 174.5 | -25.1 | 33.6 | 0 | 0 | 0 | 111.3 | I318 V392 W401 Y402 R403 | I318-P399 HydrophobicContact CD1-CG 3.76Å; V392-P399 HydrophobicContact CG2-CG 4.29Å; P399-W401 HydrophobicContact CB-CD2 4.02Å; P399-W401 HydrophobicContact CB-CG 4.33Å; P399-W401 HydrophobicContact CB-CZ2 3.86Å; P399-W401 HydrophobicContact CG-CZ2 4.01Å; P399-W401 PolarHBondContact O-N 3.06Å; P399-W401 VanDerWaalsContact O-N 3.14Å; P399-Y402 PolarHBondContact O-N 3.31Å; P399-R403 PolarHBondContact O-N 3.19Å | ||
| 400 | S | 61 | Low | 56.5 | Low | 64 Ų | 64 | 57.8 Ų | 57.8 | 45% | 0.448 | 30% | 0.301 | S | S | . | . | G | 310 helix | trans | -54.1 | -36.4 | -177.1 | 53.4 | 0 | 0 | 0 | 0 | 113.4 | Y402 R403 | S400-Y402 VanDerWaalsContact C-N 3.28Å; S400-Y402 PolarHBondContact O-N 2.98Å; S400-R403 PolarHBondContact O-N 3.42Å |
| 401 | W | 65.2 | Low | 55.8 | Low | 4 Ų | 4 | 61.9 Ų | 61.9 | 2% | 0.015 | 33% | 0.33 | C | S | . | . | G | 310 helix | trans | -75.5 | -8.1 | 178.8 | 51.2 | -101 | 0 | 0 | 0 | 115.1 | L315 P399 C442 L443 Y505 I509 H512 E513 L516 | L315-W401 HydrophobicContact CD1-CH2 3.46Å; L315-W401 VanDerWaalsContact CD1-CH2 3.46Å; L315-W401 HydrophobicContact CD1-CZ3 3.64Å; L315-W401 HydrophobicContact CD2-CH2 4.28Å; L315-W401 HydrophobicContact CG-CH2 4.49Å; P399-W401 HydrophobicContact CB-CD2 4.02Å; P399-W401 HydrophobicContact CB-CG 4.33Å; P399-W401 HydrophobicContact CB-CZ2 3.86Å; P399-W401 HydrophobicContact CG-CZ2 4.01Å; P399-W401 PolarHBondContact O-N 3.06Å; P399-W401 VanDerWaalsContact O-N 3.14Å; W401-C442 VanDerWaalsContact CB-O 3.27Å; W401-C442 WeakPolarHBondContact CB-O 3.38Å; W401-L443 HydrophobicContact CB-CD2 4.17Å; W401-Y505 PolarHBondContact O-OH 3.05Å; W401-I509 HydrophobicContact CZ3-CG2 4.33Å; W401-I509 WeakPolarHBondContact O-CD1 3.16Å; W401-I509 WeakPolarHBondContact O-CG1 3.23Å; W401-H512 AromaticContact CD2-CD2 3.96Å; W401-E513 HydrophobicContact CH2-CG 4.09Å; W401-E513 HydrophobicContact CZ3-CG 3.81Å; W401-L516 HydrophobicContact CH2-CD1 4.43Å; W401-L516 HydrophobicContact CZ2-CD1 4.09Å |
| 402 | Y | 62.4 | Low | 55.5 | Low | 92 Ų | 92 | 67.8 Ų | 67.8 | 36% | 0.361 | 36% | 0.355 | S | S | . | . | G | 310 helix | trans | -97.2 | -14.6 | 172.3 | -163.3 | -87.6 | 0 | 0 | 0 | 112 | L315 V398 P399 S400 H404 I509 | L315-Y402 HydrophobicContact CD1-CD2 3.88Å; L315-Y402 HydrophobicContact CD1-CE2 4.09Å; V398-Y402 HydrophobicContact CG1-CD1 3.61Å; V398-Y402 HydrophobicContact CG1-CG 4.06Å; P399-Y402 PolarHBondContact O-N 3.31Å; S400-Y402 VanDerWaalsContact C-N 3.28Å; S400-Y402 PolarHBondContact O-N 2.98Å; Y402-H404 PolarHBondContact O-N 3.04Å; Y402-H404 VanDerWaalsContact O-N 3.13Å; Y402-I509 HydrophobicContact CD2-CG2 3.97Å; Y402-I509 HydrophobicContact CE2-CG2 4.23Å |
| 403 | R | 63.3 | Low | 55.1 | Low | 113 Ų | 113 | 73.5 Ų | 73.5 | 43% | 0.426 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -72.3 | 110.4 | 176.6 | -65.1 | -176.2 | -171.2 | 161.1 | 7.4 | 108.7 | E396 V398 P399 S400 Y505 | E396-R403 IonicContact OE1-CZ 3.18Å; E396-R403 IonicContact OE1-NH1 2.62Å; E396-R403 PolarHBondContact OE1-NH1 3.46Å; E396-R403 VanDerWaalsContact OE1-NH1 3.12Å; E396-R403 IonicContact OE1-NH2 2.78Å; E396-R403 PolarHBondContact OE1-NH2 2.81Å; E396-R403 IonicContact OE2-NH2 3.71Å; E396-R403 PolarHBondContact OE2-NH2 3.5Å; V398-R403 HydrophobicContact CG1-CG 4.05Å; V398-R403 PolarHBondContact O-NE 2.98Å; V398-R403 PolarHBondContact O-NH2 3.27Å; P399-R403 PolarHBondContact O-N 3.19Å; S400-R403 PolarHBondContact O-N 3.42Å; R403-Y505 PolarHBondContact O-OH 2.96Å; R403-Y505 VanDerWaalsContact O-OH 3.04Å |
| 404 | H | 65.1 | Low | 54.6 | Low | 87 Ų | 87 | 79.1 Ų | 79.1 | 40% | 0.403 | 42% | 0.415 | S | S | . | . | trans | -52.6 | 139.2 | 171.1 | -75.6 | -60.7 | 0 | 0 | 0 | 110.4 | Y402 T406 T409 Y505 | Y402-H404 PolarHBondContact O-N 3.04Å; Y402-H404 VanDerWaalsContact O-N 3.13Å; H404-T406 PolarHBondContact O-N 3.44Å; H404-T409 HydrophobicContact CB-CG2 3.81Å; H404-Y505 AromaticContact CE1-CD1 3.88Å; H404-Y505 AromaticContact ND1-CD1 3.34Å; H404-Y505 VanDerWaalsContact ND1-CD1 3.34Å; H404-Y505 WeakPolarHBondContact ND1-CD1 3.27Å; H404-Y505 AromaticContact ND1-CE1 3.64Å | ||
| 405 | P | 63.7 | Low | 54.4 | Low | 6 Ų | 6 | 80.4 Ų | 80.4 | 4% | 0.039 | 43% | 0.428 | C | S | . | . | trans | -40.7 | 134.8 | 165.6 | -35.2 | 36.6 | 0 | 0 | 0 | 113.3 | Y407 L408 T409 Y505 | P405-Y407 HydrophobicContact CB-CD1 3.75Å; P405-Y407 HydrophobicContact CB-CD2 4.38Å; P405-Y407 HydrophobicContact CB-CE1 3.33Å; P405-Y407 HydrophobicContact CB-CE2 3.99Å; P405-Y407 HydrophobicContact CB-CG 4.22Å; P405-Y407 WeakPolarHBondContact CB-OH 3.37Å; P405-Y407 HydrophobicContact CG-CE1 4.08Å; P405-Y407 WeakPolarHBondContact CG-OH 3.46Å; P405-Y407 PolarHBondContact O-N 2.97Å; P405-L408 HydrophobicContact CB-CB 4.15Å; P405-L408 HydrophobicContact CB-CD1 4.03Å; P405-L408 HydrophobicContact CB-CG 3.89Å; P405-L408 HydrophobicContact CG-CD1 3.69Å; P405-L408 HydrophobicContact CG-CG 4.14Å; P405-L408 PolarHBondContact O-N 2.78Å; P405-T409 PolarHBondContact O-N 3.5Å; P405-T409 PolarHBondContact O-OG1 3.03Å; P405-Y505 HydrophobicContact CG-CD2 4.32Å; P405-Y505 HydrophobicContact CG-CE2 4.23Å | ||
| 406 | T | 60.8 | Low | 54.5 | Low | 121 Ų | 121 | 81.4 Ų | 81.4 | 74% | 0.742 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | -30.7 | 177.9 | 13.4 | 0 | 0 | 0 | 0 | 112.8 | H404 T409 | H404-T406 PolarHBondContact O-N 3.44Å; T406-T409 WeakPolarHBondContact CA-OG1 3.4Å; T406-T409 PolarHBondContact O-OG1 3.49Å |
| 407 | Y | 62.8 | Low | 54.3 | Low | 76 Ų | 76 | 83.3 Ų | 83.3 | 30% | 0.298 | 46% | 0.457 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -17.4 | 176.5 | 66.5 | -98.7 | 0 | 0 | 0 | 114.2 | P405 I432 F433 | P405-Y407 HydrophobicContact CB-CD1 3.75Å; P405-Y407 HydrophobicContact CB-CD2 4.38Å; P405-Y407 HydrophobicContact CB-CE1 3.33Å; P405-Y407 HydrophobicContact CB-CE2 3.99Å; P405-Y407 HydrophobicContact CB-CG 4.22Å; P405-Y407 WeakPolarHBondContact CB-OH 3.37Å; P405-Y407 HydrophobicContact CG-CE1 4.08Å; P405-Y407 WeakPolarHBondContact CG-OH 3.46Å; P405-Y407 PolarHBondContact O-N 2.97Å; Y407-I432 HydrophobicContact CD1-CG2 4.03Å; Y407-I432 HydrophobicContact CE1-CG2 3.89Å; Y407-F433 HydrophobicContact CE2-CB 4.23Å; Y407-F433 AromaticContact CE2-CD2 3.96Å; Y407-F433 HydrophobicContact CE2-CD2 3.96Å; Y407-F433 AromaticContact CZ-CD2 3.78Å; Y407-F433 WeakPolarHBondContact OH-CA 3.37Å; Y407-F433 WeakPolarHBondContact OH-CB 3.45Å; Y407-F433 WeakPolarHBondContact OH-CD2 3.37Å; Y407-F433 WeakPolarHBondContact OH-CG 3.35Å |
| 408 | L | 61.7 | Low | 54.1 | Low | 10 Ų | 10 | 87.2 Ų | 87.2 | 5% | 0.052 | 47% | 0.474 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | -32.6 | 176 | -69 | -178 | 0 | 0 | 0 | 112.3 | P405 Q410 F433 K498 L501 N502 | P405-L408 HydrophobicContact CB-CB 4.15Å; P405-L408 HydrophobicContact CB-CD1 4.03Å; P405-L408 HydrophobicContact CB-CG 3.89Å; P405-L408 HydrophobicContact CG-CD1 3.69Å; P405-L408 HydrophobicContact CG-CG 4.14Å; P405-L408 PolarHBondContact O-N 2.78Å; L408-Q410 PolarHBondContact O-N 3.07Å; L408-F433 HydrophobicContact CD1-CD2 4.34Å; L408-F433 HydrophobicContact CD1-CE2 4.11Å; L408-K498 HydrophobicContact CD2-CG 4.44Å; L408-L501 HydrophobicContact CD2-CB 4.22Å; L408-N502 WeakPolarHBondContact CB-OD1 3.35Å; L408-N502 WeakPolarHBondContact CD1-OD1 3.22Å; L408-N502 VanDerWaalsContact CD2-OD1 3.29Å; L408-N502 WeakPolarHBondContact CD2-OD1 3.3Å; L408-N502 WeakPolarHBondContact CG-OD1 3.47Å |
| 409 | T | 56.7 | Low | 53.8 | Low | 74 Ų | 74 | 90.8 Ų | 90.8 | 45% | 0.454 | 49% | 0.492 | S | S | . | . | S | Bend | trans | -71 | 113.7 | 175.9 | 40.8 | 0 | 0 | 0 | 0 | 111.4 | H404 P405 T406 S411 | H404-T409 HydrophobicContact CB-CG2 3.81Å; P405-T409 PolarHBondContact O-N 3.5Å; P405-T409 PolarHBondContact O-OG1 3.03Å; T406-T409 WeakPolarHBondContact CA-OG1 3.4Å; T406-T409 PolarHBondContact O-OG1 3.49Å; T409-S411 PolarHBondContact O-N 2.99Å |
| 410 | Q | 53.7 | Low | 53.1 | Low | 166 Ų | 166 | 98.1 Ų | 98.1 | 78% | 0.776 | 53% | 0.53 | S | S | * | . | trans | -64 | 120.2 | 165.6 | -80.3 | 173.2 | -29 | 0 | 0 | 108.6 | L408 L412 | L408-Q410 PolarHBondContact O-N 3.07Å; Q410-L412 PolarHBondContact O-N 3.12Å | ||
| 411 | S | 44.7 | Very low | 52.2 | Low | 89 Ų | 89 | 101.6 Ų | 101.6 | 62% | 0.622 | 53% | 0.533 | S | S | * | . | trans | -59.9 | 124.3 | 169.4 | 51.2 | 0 | 0 | 0 | 0 | 108.5 | T409 D413 | T409-S411 PolarHBondContact O-N 2.99Å; S411-D413 PolarHBondContact O-N 3.46Å | ||
| 412 | L | 49.3 | Very low | 51.4 | Low | 146 Ų | 146 | 107 Ų | 107 | 76% | 0.764 | 56% | 0.563 | S | S | * | * | S | Bend | trans | -72.6 | -1.4 | -177.7 | -143.2 | 85.5 | 0 | 0 | 0 | 113.4 | Q410 D414 | Q410-L412 PolarHBondContact O-N 3.12Å; L412-D414 PolarHBondContact O-N 3.25Å |
| 413 | D | 46.2 | Very low | 50.9 | Low | 130 Ų | 130 | 112.1 Ų | 112.1 | 70% | 0.695 | 59% | 0.59 | S | S | * | * | trans | -87.6 | 100.7 | 175.4 | -70.4 | -27.6 | 0 | 0 | 0 | 108.7 | S411 S415 | S411-D413 PolarHBondContact O-N 3.46Å; D413-S415 PolarHBondContact O-N 3.29Å | ||
| 414 | D | 40.7 | Very low | 50.5 | Low | 175 Ų | 175 | 109.2 Ų | 109.2 | 94% | 0.936 | 59% | 0.587 | S | S | * | * | trans | -62.8 | 60.8 | 170.8 | -80.9 | -32.3 | 0 | 0 | 0 | 111.5 | L412 | L412-D414 PolarHBondContact O-N 3.25Š| ||
| 415 | S | 44 | Very low | 51 | Low | 70 Ų | 70 | 108.1 Ų | 108.1 | 49% | 0.49 | 59% | 0.589 | S | S | . | * | trans | -104.9 | 131.2 | 158.3 | 65.2 | 0 | 0 | 0 | 0 | 107.3 | D413 T417 | D413-S415 PolarHBondContact O-N 3.29Å; S415-T417 PolarHBondContact O-N 2.92Å | ||
| 416 | P | 45.7 | Very low | 51.8 | Low | 115 Ų | 115 | 110.6 Ų | 110.6 | 75% | 0.747 | 60% | 0.604 | S | S | * | * | trans | -74.9 | 82 | -176.4 | 32.6 | -32 | 0 | 0 | 0 | 107.6 | D418 | P416-D418 PolarHBondContact O-N 3.44Š| ||
| 417 | T | 40.2 | Very low | 52.8 | Low | 105 Ų | 105 | 108 Ų | 108 | 64% | 0.644 | 59% | 0.585 | S | S | * | * | trans | -76.2 | 59.4 | 153.1 | 48 | 0 | 0 | 0 | 0 | 107.8 | S415 N419 | S415-T417 PolarHBondContact O-N 2.92Å; T417-N419 PolarHBondContact O-N 3.27Å | ||
| 418 | D | 39.1 | Very low | 53.7 | Low | 133 Ų | 133 | 107.6 Ų | 107.6 | 71% | 0.711 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.7 | 127.8 | 154.3 | -88.7 | -27.8 | 0 | 0 | 0 | 106.6 | P416 | P416-D418 PolarHBondContact O-N 3.44Š|
| 419 | N | 46.7 | Very low | 54.5 | Low | 121 Ų | 121 | 108.9 Ų | 108.9 | 65% | 0.647 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 105.8 | 12.1 | 169 | -48.9 | -20.2 | 0 | 0 | 0 | 119.3 | T417 W421 D422 | T417-N419 PolarHBondContact O-N 3.27Å; N419-W421 PolarHBondContact O-N 3.18Å; N419-D422 PolarHBondContact O-N 3.28Å |
| 420 | L | 42.5 | Very low | 56 | Low | 164 Ų | 164 | 105.3 Ų | 105.3 | 86% | 0.859 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.2 | -6.2 | 163.5 | -146.1 | 85.2 | 0 | 0 | 0 | 113.5 | D422 | L420-D422 PolarHBondContact O-N 3.39Š|
| 421 | W | 42.9 | Very low | 57.5 | Low | 136 Ų | 136 | 100.4 Ų | 100.4 | 52% | 0.515 | 55% | 0.551 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83.5 | 28.2 | 165.7 | -61.3 | 86.4 | 0 | 0 | 0 | 111.8 | N419 E423 H494 K498 | N419-W421 PolarHBondContact O-N 3.18Å; W421-E423 PolarHBondContact O-N 3.09Å; W421-E423 VanDerWaalsContact O-N 3.15Å; W421-H494 AromaticContact CD2-CE1 3.95Å; W421-H494 AromaticContact CD2-NE2 3.47Å; W421-H494 AromaticContact CE2-NE2 3.74Å; W421-H494 AromaticContact CE3-CE1 3.13Å; W421-H494 AromaticContact CE3-NE2 3.09Å; W421-H494 AromaticContact CH2-CE1 3.71Å; W421-H494 AromaticContact CH2-NE2 3.26Å; W421-H494 VanDerWaalsContact CH2-NE2 3.26Å; W421-H494 WeakPolarHBondContact CH2-NE2 3.38Å; W421-H494 AromaticContact CZ2-NE2 3.64Å; W421-H494 AromaticContact CZ3-CE1 3Å; W421-H494 WeakPolarHBondContact CZ3-CE1 3.34Å; W421-H494 AromaticContact CZ3-NE2 3Å; W421-H494 WeakPolarHBondContact CZ3-NE2 3.38Å; W421-K498 HydrophobicContact CH2-CD 4.41Å; W421-K498 HydrophobicContact CZ2-CD 4.46Å |
| 422 | D | 47.5 | Very low | 59.2 | Low | 119 Ų | 119 | 99.9 Ų | 99.9 | 64% | 0.636 | 54% | 0.541 | S | S | * | . | trans | -56.8 | 112.9 | 172.3 | -105.8 | -6.3 | 0 | 0 | 0 | 109.6 | N419 L420 S424 | N419-D422 PolarHBondContact O-N 3.28Å; L420-D422 PolarHBondContact O-N 3.39Å; D422-S424 PolarHBondContact O-N 3.43Å | ||
| 423 | E | 52.2 | Low | 61 | Low | 199 Ų | 199 | 93 Ų | 93 | 93% | 0.93 | 51% | 0.505 | S | S | * | . | S | Bend | trans | 27.2 | 19.2 | 161.5 | -64.2 | -165.6 | 159.9 | 0 | 0 | 121.1 | W421 S425 | W421-E423 PolarHBondContact O-N 3.09Å; W421-E423 VanDerWaalsContact O-N 3.15Å; E423-S425 PolarHBondContact O-N 2.94Å |
| 424 | S | 55.2 | Low | 63 | Low | 51 Ų | 51 | 86.8 Ų | 86.8 | 36% | 0.357 | 47% | 0.472 | S | S | . | . | trans | -75 | 120.9 | 171.2 | 53.3 | 0 | 0 | 0 | 0 | 108.5 | D422 Q429 | D422-S424 PolarHBondContact O-N 3.43Å; S424-Q429 PolarHBondContact OG-NE2 3.46Å | ||
| 425 | S | 74 | Confident | 64.8 | Low | 64 Ų | 64 | 82.7 Ų | 82.7 | 45% | 0.448 | 45% | 0.449 | S | S | . | . | trans | -54.3 | 144.3 | 179.5 | 64.7 | 0 | 0 | 0 | 0 | 110.3 | E423 D427 V428 Q429 | E423-S425 PolarHBondContact O-N 2.94Å; S425-D427 PolarHBondContact O-N 3.41Å; S425-V428 PolarHBondContact O-N 2.92Å; S425-V428 WeakPolarHBondContact OG-CG2 3.49Å; S425-Q429 PolarHBondContact O-N 3.27Å | ||
| 426 | V | 80.5 | Confident | 66.5 | Low | 58 Ų | 58 | 82.3 Ų | 82.3 | 35% | 0.352 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -50 | -29.7 | 175.6 | 179.9 | 0 | 0 | 0 | 0 | 111.3 | Q429 L430 M485 I489 F497 | V426-Q429 PolarHBondContact O-N 2.84Å; V426-L430 PolarHBondContact O-N 3.39Å; V426-M485 HydrophobicContact CG1-CE 4.1Å; V426-M485 WeakPolarHBondContact O-CE 3.3Å; V426-I489 HydrophobicContact CG1-CD1 4.26Å; V426-I489 HydrophobicContact CG1-CG2 3.72Å; V426-F497 HydrophobicContact CG1-CD2 4.35Å; V426-F497 HydrophobicContact CG1-CE1 4.16Å; V426-F497 HydrophobicContact CG1-CE2 3.94Å; V426-F497 HydrophobicContact CG1-CZ 3.82Å |
| 427 | D | 83.4 | Confident | 68.2 | Low | 67 Ų | 67 | 76.9 Ų | 76.9 | 36% | 0.358 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -57.6 | -48.9 | 173.4 | -156.8 | 49.3 | 0 | 0 | 0 | 113.9 | S425 Q429 L430 H431 H481 M485 | S425-D427 PolarHBondContact O-N 3.41Å; D427-Q429 VanDerWaalsContact C-N 3.32Å; D427-Q429 PolarHBondContact O-N 3.42Å; D427-L430 PolarHBondContact O-N 3.11Å; D427-H431 WeakPolarHBondContact O-CB 3.3Å; D427-H431 PolarHBondContact O-CD2 3.22Å; D427-H431 PolarHBondContact O-N 3.42Å; D427-H481 IonicContact OD1-CE1 2.88Å; D427-H481 PolarHBondContact OD1-CE1 3.33Å; D427-H481 IonicContact OD1-NE2 3.83Å; D427-H481 PolarHBondContact OD1-NE2 3.34Å; D427-M485 HydrophobicContact CB-CE 4.19Å |
| 428 | V | 81.2 | Confident | 70.1 | Confident | 67 Ų | 67 | 72.9 Ų | 72.9 | 41% | 0.406 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -63.3 | -41 | 177.6 | 174.5 | 0 | 0 | 0 | 0 | 110.7 | S425 H431 I432 | S425-V428 PolarHBondContact O-N 2.92Å; S425-V428 WeakPolarHBondContact OG-CG2 3.49Å; V428-H431 WeakPolarHBondContact O-CB 3.39Å; V428-H431 PolarHBondContact O-N 3.02Å; V428-I432 HydrophobicContact CG1-CD1 3.96Å; V428-I432 VanDerWaalsContact O-CG1 3.31Å; V428-I432 WeakPolarHBondContact O-CG1 3.38Å; V428-I432 PolarHBondContact O-N 2.92Å |
| 429 | Q | 79.2 | Confident | 71.6 | Confident | 37 Ų | 37 | 72 Ų | 72 | 17% | 0.173 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -66.6 | -41.5 | 179.9 | -63 | -177.5 | 10.5 | 0 | 0 | 112 | S424 S425 V426 D427 H431 I432 F433 F497 | S424-Q429 PolarHBondContact OG-NE2 3.46Å; S425-Q429 PolarHBondContact O-N 3.27Å; V426-Q429 PolarHBondContact O-N 2.84Å; D427-Q429 VanDerWaalsContact C-N 3.32Å; D427-Q429 PolarHBondContact O-N 3.42Å; Q429-H431 VanDerWaalsContact C-N 3.32Å; Q429-H431 PolarHBondContact O-N 3.46Å; Q429-I432 PolarHBondContact O-N 2.73Å; Q429-F433 PolarHBondContact O-N 3.2Å; Q429-F497 HydrophobicContact CB-CE1 4.33Å |
| 430 | L | 86.8 | Confident | 72.4 | Confident | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -64.2 | -39.7 | 174.5 | -175.8 | 64.4 | 0 | 0 | 0 | 111.2 | V426 D427 F433 L434 H481 L484 M485 I489 F497 L501 | V426-L430 PolarHBondContact O-N 3.39Å; D427-L430 PolarHBondContact O-N 3.11Å; L430-F433 PolarHBondContact O-N 2.96Å; L430-L434 HydrophobicContact CD1-CD1 4.36Å; L430-L434 HydrophobicContact CD1-CG 4.22Å; L430-L434 HydrophobicContact CD2-CD1 4.46Å; L430-L434 HydrophobicContact CG-CD1 4.04Å; L430-L434 HydrophobicContact CG-CG 4.29Å; L430-L434 WeakPolarHBondContact O-CB 3.36Å; L430-L434 WeakPolarHBondContact O-CG 3.17Å; L430-L434 PolarHBondContact O-N 3.23Å; L430-H481 VanDerWaalsContact CD2-CD2 3.49Å; L430-H481 WeakPolarHBondContact CD2-CD2 3.47Å; L430-L484 HydrophobicContact CD1-CD1 3.84Å; L430-L484 HydrophobicContact CD2-CB 3.99Å; L430-L484 HydrophobicContact CD2-CD1 4.43Å; L430-M485 HydrophobicContact CB-CE 3.48Å; L430-M485 VanDerWaalsContact CB-CE 3.48Å; L430-M485 HydrophobicContact CD2-CE 3.41Å; L430-M485 VanDerWaalsContact CD2-CE 3.41Å; L430-M485 HydrophobicContact CD2-CG 3.75Å; L430-M485 HydrophobicContact CD2-SD 4.37Å; L430-M485 HydrophobicContact CG-CE 4.06Å; L430-I489 HydrophobicContact CD2-CD1 3.9Å; L430-F497 HydrophobicContact CB-CZ 4.48Å; L430-L501 HydrophobicContact CD1-CD2 3.98Å |
| 431 | H | 85.4 | Confident | 73.3 | Confident | 63 Ų | 63 | 61 Ų | 61 | 29% | 0.292 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -59 | -47.2 | 175 | -89.7 | -56.5 | 0 | 0 | 0 | 112.4 | D427 V428 Q429 F433 L434 D435 R477 H481 | D427-H431 WeakPolarHBondContact O-CB 3.3Å; D427-H431 PolarHBondContact O-CD2 3.22Å; D427-H431 PolarHBondContact O-N 3.42Å; V428-H431 WeakPolarHBondContact O-CB 3.39Å; V428-H431 PolarHBondContact O-N 3.02Å; Q429-H431 VanDerWaalsContact C-N 3.32Å; Q429-H431 PolarHBondContact O-N 3.46Å; H431-F433 VanDerWaalsContact C-N 3.34Å; H431-F433 PolarHBondContact O-N 3.24Å; H431-L434 PolarHBondContact O-N 3.41Å; H431-D435 WeakPolarHBondContact O-CB 3.43Å; H431-D435 PolarHBondContact O-N 3.13Å; H431-R477 PolarHBondContact ND1-NH1 2.79Å; H431-R477 PolarHBondContact ND1-NH2 2.82Å; H431-R477 PolarHBondContact O-NH2 3.34Å; H431-H481 AromaticContact CD2-NE2 3.64Å; H431-H481 AromaticContact CE1-CD2 3.76Å; H431-H481 AromaticContact CE1-NE2 3.64Å; H431-H481 AromaticContact ND1-CD2 3.97Å; H431-H481 AromaticContact NE2-CE1 3.81Å; H431-H481 AromaticContact NE2-NE2 3.42Å; H431-H481 PolarHBondContact NE2-NE2 2.93Å |
| 432 | I | 80.2 | Confident | 74.5 | Confident | 78 Ų | 78 | 55.1 Ų | 55.1 | 40% | 0.4 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -60.8 | -43.5 | 176.3 | -66 | 164.4 | 0 | 0 | 0 | 110.8 | Y407 V428 Q429 D435 Q436 | Y407-I432 HydrophobicContact CD1-CG2 4.03Å; Y407-I432 HydrophobicContact CE1-CG2 3.89Å; V428-I432 HydrophobicContact CG1-CD1 3.96Å; V428-I432 VanDerWaalsContact O-CG1 3.31Å; V428-I432 WeakPolarHBondContact O-CG1 3.38Å; V428-I432 PolarHBondContact O-N 2.92Å; Q429-I432 PolarHBondContact O-N 2.73Å; I432-D435 PolarHBondContact O-N 2.96Å; I432-Q436 PolarHBondContact O-N 3.46Å |
| 433 | F | 86.9 | Confident | 75.8 | Confident | 1 Ų | 1 | 49.4 Ų | 49.4 | 0% | 0.004 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.7 | -49 | 176.5 | 173.1 | -83.7 | 0 | 0 | 0 | 111.8 | Y407 L408 Q429 L430 H431 D435 Q436 L437 L501 F504 Y505 | Y407-F433 HydrophobicContact CE2-CB 4.23Å; Y407-F433 AromaticContact CE2-CD2 3.96Å; Y407-F433 HydrophobicContact CE2-CD2 3.96Å; Y407-F433 AromaticContact CZ-CD2 3.78Å; Y407-F433 WeakPolarHBondContact OH-CA 3.37Å; Y407-F433 WeakPolarHBondContact OH-CB 3.45Å; Y407-F433 WeakPolarHBondContact OH-CD2 3.37Å; Y407-F433 WeakPolarHBondContact OH-CG 3.35Å; L408-F433 HydrophobicContact CD1-CD2 4.34Å; L408-F433 HydrophobicContact CD1-CE2 4.11Å; Q429-F433 PolarHBondContact O-N 3.2Å; L430-F433 PolarHBondContact O-N 2.96Å; H431-F433 VanDerWaalsContact C-N 3.34Å; H431-F433 PolarHBondContact O-N 3.24Å; F433-D435 VanDerWaalsContact C-N 3.32Å; F433-D435 PolarHBondContact O-N 3.09Å; F433-Q436 PolarHBondContact O-N 3Å; F433-L437 HydrophobicContact CE1-CB 4.31Å; F433-L437 HydrophobicContact CE1-CD1 4.49Å; F433-L437 HydrophobicContact CE1-CD2 3.97Å; F433-L437 HydrophobicContact CZ-CD1 4.33Å; F433-L437 WeakPolarHBondContact O-CB 3.29Å; F433-L437 PolarHBondContact O-N 3.32Å; F433-L501 HydrophobicContact CB-CD1 4.16Å; F433-L501 HydrophobicContact CB-CD2 4.45Å; F433-L501 HydrophobicContact CD1-CD2 3.79Å; F433-L501 HydrophobicContact CD2-CB 3.8Å; F433-L501 HydrophobicContact CD2-CD1 3.92Å; F433-L501 HydrophobicContact CD2-CD2 3.87Å; F433-L501 HydrophobicContact CD2-CG 4.07Å; F433-L501 HydrophobicContact CE1-CD2 3.99Å; F433-L501 HydrophobicContact CE2-CB 3.79Å; F433-L501 HydrophobicContact CE2-CD2 4.14Å; F433-L501 HydrophobicContact CE2-CG 4.41Å; F433-L501 VanDerWaalsContact CE2-O 3.3Å; F433-L501 WeakPolarHBondContact CE2-O 3.4Å; F433-L501 HydrophobicContact CG-CD1 4.09Å; F433-L501 HydrophobicContact CG-CD2 3.78Å; F433-L501 HydrophobicContact CG-CG 4.36Å; F433-L501 HydrophobicContact CZ-CB 4.45Å; F433-L501 HydrophobicContact CZ-CD2 4.21Å; F433-F504 HydrophobicContact CE1-CB 4.44Å; F433-F504 AromaticContact CE1-CD1 3.46Å; F433-F504 HydrophobicContact CE1-CD1 3.46Å; F433-F504 VanDerWaalsContact CE1-CD1 3.46Å; F433-F504 AromaticContact CE1-CE1 3.94Å; F433-F504 HydrophobicContact CE1-CE1 3.94Å; F433-F504 HydrophobicContact CE1-CG 4.17Å; F433-F504 HydrophobicContact CZ-CB 3.92Å; F433-F504 AromaticContact CZ-CD1 3.81Å; F433-F504 HydrophobicContact CZ-CD1 3.81Å; F433-F504 HydrophobicContact CZ-CG 4.06Å; F433-Y505 HydrophobicContact CE2-CD2 4.5Å |
| 434 | L | 87.8 | Confident | 77 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -67.7 | -32 | 180 | -68.5 | 178.5 | 0 | 0 | 0 | 112.2 | L430 H431 Q436 L437 F438 R477 I480 H481 F504 | L430-L434 HydrophobicContact CD1-CD1 4.36Å; L430-L434 HydrophobicContact CD1-CG 4.22Å; L430-L434 HydrophobicContact CD2-CD1 4.46Å; L430-L434 HydrophobicContact CG-CD1 4.04Å; L430-L434 HydrophobicContact CG-CG 4.29Å; L430-L434 WeakPolarHBondContact O-CB 3.36Å; L430-L434 WeakPolarHBondContact O-CG 3.17Å; L430-L434 PolarHBondContact O-N 3.23Å; H431-L434 PolarHBondContact O-N 3.41Å; L434-Q436 VanDerWaalsContact C-N 3.28Å; L434-Q436 PolarHBondContact O-N 3.38Å; L434-L437 HydrophobicContact CD2-CD2 4.2Å; L434-L437 PolarHBondContact O-N 3.39Å; L434-F438 HydrophobicContact CB-CD2 4.46Å; L434-F438 HydrophobicContact CD2-CD2 4.45Å; L434-F438 HydrophobicContact CD2-CE2 4.2Å; L434-F438 VanDerWaalsContact O-CB 3.29Å; L434-F438 WeakPolarHBondContact O-CB 3.2Å; L434-F438 WeakPolarHBondContact O-CD2 3.25Å; L434-F438 PolarHBondContact O-N 3.44Å; L434-R477 HydrophobicContact CB-CG 4.28Å; L434-R477 HydrophobicContact CD1-CG 4.3Å; L434-I480 HydrophobicContact CD2-CG2 3.92Å; L434-H481 HydrophobicContact CD1-CB 3.64Å; L434-F504 HydrophobicContact CD2-CE1 4.36Å |
| 435 | D | 79.8 | Confident | 78.2 | Confident | 88 Ų | 88 | 38 Ų | 38 | 47% | 0.471 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -65.8 | -33.7 | 175.6 | -73.3 | -17 | 0 | 0 | 0 | 112.1 | H431 I432 F433 H439 R477 | H431-D435 WeakPolarHBondContact O-CB 3.43Å; H431-D435 PolarHBondContact O-N 3.13Å; I432-D435 PolarHBondContact O-N 2.96Å; F433-D435 VanDerWaalsContact C-N 3.32Å; F433-D435 PolarHBondContact O-N 3.09Å; D435-H439 WeakPolarHBondContact O-CA 3.44Å; D435-H439 PolarHBondContact O-N 3.38Å; D435-H439 VanDerWaalsContact O-N 3.14Å; D435-R477 IonicContact OD1-CZ 2.77Å; D435-R477 IonicContact OD1-NE 3.11Å; D435-R477 PolarHBondContact OD1-NE 2.88Å; D435-R477 VanDerWaalsContact OD1-NE 3.13Å; D435-R477 IonicContact OD1-NH2 3.47Å; D435-R477 PolarHBondContact OD1-NH2 3.28Å; D435-R477 IonicContact OD2-NH2 3.19Å |
| 436 | Q | 78.4 | Confident | 78.5 | Confident | 63 Ų | 63 | 38.6 Ų | 38.6 | 29% | 0.294 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -76.9 | -39.9 | 173.1 | -68.1 | -175.2 | -0.9 | 0 | 0 | 112.4 | I432 F433 L434 H439 | I432-Q436 PolarHBondContact O-N 3.46Å; F433-Q436 PolarHBondContact O-N 3Å; L434-Q436 VanDerWaalsContact C-N 3.28Å; L434-Q436 PolarHBondContact O-N 3.38Å; Q436-H439 WeakPolarHBondContact O-CB 3.24Å; Q436-H439 PolarHBondContact O-N 3.14Å |
| 437 | L | 82.3 | Confident | 78.6 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -64.1 | -41.9 | 177.3 | -167.6 | 77 | 0 | 0 | 0 | 111.7 | F433 L434 H439 L443 I448 F504 Y505 A508 | F433-L437 HydrophobicContact CE1-CB 4.31Å; F433-L437 HydrophobicContact CE1-CD1 4.49Å; F433-L437 HydrophobicContact CE1-CD2 3.97Å; F433-L437 HydrophobicContact CZ-CD1 4.33Å; F433-L437 WeakPolarHBondContact O-CB 3.29Å; F433-L437 PolarHBondContact O-N 3.32Å; L434-L437 HydrophobicContact CD2-CD2 4.2Å; L434-L437 PolarHBondContact O-N 3.39Å; L437-H439 VanDerWaalsContact C-N 3.27Å; L437-H439 PolarHBondContact O-N 2.97Å; L437-L443 HydrophobicContact CD1-CD1 3.56Å; L437-L443 HydrophobicContact CG-CD1 4.32Å; L437-I448 HydrophobicContact CD2-CG1 4.23Å; L437-I448 HydrophobicContact CD2-CG2 3.69Å; L437-I448 HydrophobicContact CG-CD1 4.12Å; L437-I448 HydrophobicContact CG-CG1 4.05Å; L437-I448 HydrophobicContact CG-CG2 4.41Å; L437-I448 WeakPolarHBondContact O-CD1 3.41Å; L437-F504 HydrophobicContact CD2-CD1 4.32Å; L437-F504 HydrophobicContact CD2-CE1 3.7Å; L437-F504 HydrophobicContact CD2-CE2 4.04Å; L437-F504 HydrophobicContact CD2-CZ 3.53Å; L437-Y505 HydrophobicContact CD1-CD2 3.87Å; L437-Y505 HydrophobicContact CD1-CE2 4.37Å; L437-A508 HydrophobicContact CD1-CB 4.09Å |
| 438 | F | 80.8 | Confident | 78.7 | Confident | 22 Ų | 22 | 32.6 Ų | 32.6 | 10% | 0.096 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | 11.2 | 176.4 | -76.5 | -95.9 | 0 | 0 | 0 | 113 | T353 L434 I448 L473 M476 R477 I480 | T353-F438 HydrophobicContact CG2-CD1 4.36Å; L434-F438 HydrophobicContact CB-CD2 4.46Å; L434-F438 HydrophobicContact CD2-CD2 4.45Å; L434-F438 HydrophobicContact CD2-CE2 4.2Å; L434-F438 VanDerWaalsContact O-CB 3.29Å; L434-F438 WeakPolarHBondContact O-CB 3.2Å; L434-F438 WeakPolarHBondContact O-CD2 3.25Å; L434-F438 PolarHBondContact O-N 3.44Å; F438-I448 HydrophobicContact CD1-CD1 4.26Å; F438-I448 HydrophobicContact CD2-CD1 4.44Å; F438-I448 HydrophobicContact CE1-CD1 4.26Å; F438-I448 HydrophobicContact CE2-CD1 4.43Å; F438-I448 HydrophobicContact CE2-CG2 3.9Å; F438-I448 HydrophobicContact CG-CD1 4.36Å; F438-I448 HydrophobicContact CZ-CD1 4.35Å; F438-I448 HydrophobicContact CZ-CG2 3.78Å; F438-L473 HydrophobicContact CE1-CD2 4.28Å; F438-M476 HydrophobicContact CE1-CB 4.47Å; F438-M476 HydrophobicContact CE1-CG 4.42Å; F438-M476 HydrophobicContact CE1-SD 4.28Å; F438-M476 HydrophobicContact CZ-CG 4.23Å; F438-M476 HydrophobicContact CZ-SD 4.39Å; F438-R477 HydrophobicContact CD1-CB 4.33Å; F438-R477 HydrophobicContact CD2-CB 4.22Å; F438-R477 HydrophobicContact CD2-CG 4.11Å; F438-R477 HydrophobicContact CE1-CB 4.13Å; F438-R477 HydrophobicContact CE2-CB 4.01Å; F438-R477 HydrophobicContact CE2-CG 4.19Å; F438-R477 HydrophobicContact CG-CB 4.37Å; F438-R477 HydrophobicContact CG-CG 4.48Å; F438-R477 HydrophobicContact CZ-CB 3.96Å; F438-I480 HydrophobicContact CE2-CD1 4.31Å; F438-I480 HydrophobicContact CZ-CD1 4Å |
| 439 | H | 70.4 | Confident | 79 | Confident | 114 Ų | 114 | 29.4 Ų | 29.4 | 53% | 0.528 | 15% | 0.147 | S | C | . | . | trans | -55.8 | 126.7 | 179.1 | -170.1 | 76.3 | 0 | 0 | 0 | 109.8 | T353 D435 Q436 L437 G441 C442 | T353-H439 PolarHBondContact OG1-O 2.72Å; D435-H439 WeakPolarHBondContact O-CA 3.44Å; D435-H439 PolarHBondContact O-N 3.38Å; D435-H439 VanDerWaalsContact O-N 3.14Å; Q436-H439 WeakPolarHBondContact O-CB 3.24Å; Q436-H439 PolarHBondContact O-N 3.14Å; L437-H439 VanDerWaalsContact C-N 3.27Å; L437-H439 PolarHBondContact O-N 2.97Å; H439-G441 PolarHBondContact O-N 2.81Å; H439-C442 HydrophobicContact CB-CB 3.94Å; H439-C442 WeakPolarHBondContact O-CB 3.44Å; H439-C442 PolarHBondContact O-N 3.21Å | ||
| 440 | P | 62.7 | Low | 79.3 | Confident | 45 Ų | 45 | 29.8 Ų | 29.8 | 29% | 0.292 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56 | 125.7 | -174.1 | -28.5 | 35.8 | 0 | 0 | 0 | 112.7 | T353 A355 C442 | T353-P440 CarbonylContact O-C 3.6Å; T353-P440 WeakPolarHBondContact O-CA 3.23Å; A355-P440 HydrophobicContact CB-CG 3.7Å; P440-C442 VanDerWaalsContact C-N 3.29Å; P440-C442 PolarHBondContact O-N 3.41Å |
| 441 | G | 61.8 | Low | 79.4 | Confident | 9 Ų | 9 | 29.8 Ų | 29.8 | 9% | 0.093 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.1 | 2.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q352 T353 H439 | Q352-G441 PolarHBondContact NE2-O 2.98Å; Q352-G441 VanDerWaalsContact OE1-CA 3.3Å; T353-G441 PolarHBondContact O-N 3.47Å; H439-G441 PolarHBondContact O-N 2.81Å |
| 442 | C | 67.6 | Low | 79.7 | Confident | 12 Ų | 12 | 26.8 Ų | 26.8 | 8% | 0.081 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -66.7 | -179 | -170.8 | 0 | 0 | 0 | 0 | 111.3 | W401 H439 P440 | W401-C442 VanDerWaalsContact CB-O 3.27Å; W401-C442 WeakPolarHBondContact CB-O 3.38Å; H439-C442 HydrophobicContact CB-CB 3.94Å; H439-C442 WeakPolarHBondContact O-CB 3.44Å; H439-C442 PolarHBondContact O-N 3.21Å; P440-C442 VanDerWaalsContact C-N 3.29Å; P440-C442 PolarHBondContact O-N 3.41Å |
| 443 | L | 75.8 | Confident | 80 | Confident | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -119 | 158.9 | -179.3 | -66.6 | 167 | 0 | 0 | 0 | 110.5 | T353 W401 L437 I448 Y505 A508 I509 H512 | T353-L443 VanDerWaalsContact CG2-O 3.31Å; T353-L443 WeakPolarHBondContact CG2-O 3.4Å; T353-L443 PolarHBondContact N-O 2.91Å; T353-L443 PolarHBondContact OG1-O 3.31Å; T353-L443 VanDerWaalsContact OG1-O 3.06Å; W401-L443 HydrophobicContact CB-CD2 4.17Å; L437-L443 HydrophobicContact CD1-CD1 3.56Å; L437-L443 HydrophobicContact CG-CD1 4.32Å; L443-I448 HydrophobicContact CB-CD1 4.32Å; L443-I448 HydrophobicContact CB-CG1 4.26Å; L443-Y505 HydrophobicContact CD1-CE2 4.43Å; L443-A508 HydrophobicContact CD1-CB 4.07Å; L443-I509 HydrophobicContact CD2-CG1 4.5Å; L443-H512 HydrophobicContact CD2-CB 3.71Å |
| 444 | S | 77.7 | Confident | 80.1 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.138 | C | C | . | . | trans | -76.5 | 146.1 | 168.9 | 73.7 | 0 | 0 | 0 | 0 | 109.8 | H351 F446 A447 I448 H512 W555 | H351-S444 WeakPolarHBondContact O-CB 3.44Å; S444-F446 PolarHBondContact O-N 2.77Å; S444-A447 WeakPolarHBondContact O-CB 3.22Å; S444-A447 PolarHBondContact O-N 3.08Å; S444-A447 VanDerWaalsContact O-N 3.15Å; S444-A447 WeakPolarHBondContact OG-CB 3.22Å; S444-A447 PolarHBondContact OG-N 3.2Å; S444-I448 WeakPolarHBondContact O-CG1 3.32Å; S444-I448 PolarHBondContact O-N 3.3Å; S444-H512 PolarHBondContact N-CE1 3.1Å; S444-H512 PolarHBondContact N-ND1 3.49Å; S444-W555 WeakPolarHBondContact OG-CH2 3.22Å; S444-W555 WeakPolarHBondContact OG-CZ3 3.42Å | ||
| 445 | W | 79.9 | Confident | 80 | Confident | 11 Ų | 11 | 27.1 Ų | 27.1 | 4% | 0.042 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -65 | -30.4 | 174.9 | 78.8 | -118.3 | 0 | 0 | 0 | 112.3 | H351 T353 L360 A447 I448 A449 F468 L473 M476 | H351-W445 AromaticContact CE1-CD1 2.92Å; H351-W445 AromaticContact CE1-CG 3.77Å; H351-W445 AromaticContact CE1-NE1 2.99Å; H351-W445 PolarHBondContact CE1-NE1 3.44Å; H351-W445 AromaticContact ND1-CD1 3.91Å; H351-W445 AromaticContact NE2-CD1 3.55Å; H351-W445 AromaticContact NE2-NE1 3.13Å; H351-W445 PolarHBondContact NE2-NE1 2.92Å; H351-W445 VanDerWaalsContact NE2-NE1 3.13Å; T353-W445 HydrophobicContact CG2-CB 4.2Å; L360-W445 HydrophobicContact CB-CZ2 3.9Å; L360-W445 HydrophobicContact CD1-CD2 4.33Å; L360-W445 HydrophobicContact CD1-CE3 4.38Å; L360-W445 HydrophobicContact CD1-CH2 3.99Å; L360-W445 HydrophobicContact CD1-CZ2 3.88Å; L360-W445 HydrophobicContact CD1-CZ3 4.22Å; L360-W445 HydrophobicContact CD2-CD2 3.94Å; L360-W445 HydrophobicContact CD2-CG 3.86Å; L360-W445 HydrophobicContact CG-CZ2 4.33Å; L360-W445 PolarHBondContact O-NE1 3.4Å; W445-A447 VanDerWaalsContact C-N 3.31Å; W445-A447 PolarHBondContact O-N 3.18Å; W445-I448 CarbonylContact O-C 3.49Å; W445-I448 WeakPolarHBondContact O-CB 3.42Å; W445-I448 PolarHBondContact O-N 3.3Å; W445-I448 VanDerWaalsContact O-N 3.17Å; W445-A449 HydrophobicContact CE3-CB 3.97Å; W445-A449 HydrophobicContact CZ3-CB 4.02Å; W445-A449 WeakPolarHBondContact O-CB 3.34Å; W445-A449 PolarHBondContact O-N 3.09Å; W445-F468 HydrophobicContact CH2-CD1 4.25Å; W445-F468 AromaticContact CZ3-CD1 3.87Å; W445-F468 HydrophobicContact CZ3-CD1 3.87Å; W445-F468 HydrophobicContact CZ3-CE1 4.28Å; W445-L473 HydrophobicContact CB-CD2 3.4Å; W445-L473 HydrophobicContact CG-CD2 3.98Å; W445-M476 HydrophobicContact CB-SD 4.08Å; W445-M476 HydrophobicContact CE3-CE 4.2Å; W445-M476 HydrophobicContact CE3-SD 3.98Å; W445-M476 WeakPolarHBondContact O-CE 3.49Å |
| 446 | F | 78.9 | Confident | 80.4 | Confident | 75 Ų | 75 | 23 Ų | 23 | 33% | 0.329 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -61.3 | -40 | 174.3 | -88.9 | -77.5 | 0 | 0 | 0 | 112.2 | S444 A449 N450 F468 W555 | S444-F446 PolarHBondContact O-N 2.77Å; F446-A449 PolarHBondContact O-N 2.93Å; F446-N450 WeakPolarHBondContact O-CB 3.28Å; F446-N450 PolarHBondContact O-N 3.03Å; F446-N450 PolarHBondContact O-ND2 2.99Å; F446-F468 HydrophobicContact CD1-CE1 4.4Å; F446-W555 HydrophobicContact CB-CZ2 4.23Å |
| 447 | A | 82.7 | Confident | 80.6 | Confident | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -60.5 | -47.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | S444 W445 A449 N450 A451 A508 H512 W555 | S444-A447 WeakPolarHBondContact O-CB 3.22Å; S444-A447 PolarHBondContact O-N 3.08Å; S444-A447 VanDerWaalsContact O-N 3.15Å; S444-A447 WeakPolarHBondContact OG-CB 3.22Å; S444-A447 PolarHBondContact OG-N 3.2Å; W445-A447 VanDerWaalsContact C-N 3.31Å; W445-A447 PolarHBondContact O-N 3.18Å; A447-A449 PolarHBondContact O-N 3.22Å; A447-N450 PolarHBondContact O-N 3.49Å; A447-A451 WeakPolarHBondContact O-CB 3.46Å; A447-A451 PolarHBondContact O-N 3.42Å; A447-A508 WeakPolarHBondContact CB-O 3.32Å; A447-H512 HydrophobicContact CB-CB 3.91Å; A447-W555 HydrophobicContact CB-CH2 3.72Å; A447-W555 HydrophobicContact CB-CZ3 4.05Å |
| 448 | I | 87 | Confident | 80.7 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61.3 | -44.2 | 178.1 | -60.5 | 171 | 0 | 0 | 0 | 110.9 | T353 L437 F438 L443 S444 W445 F452 M476 I480 F504 | T353-I448 HydrophobicContact CG2-CD1 3.76Å; L437-I448 HydrophobicContact CD2-CG1 4.23Å; L437-I448 HydrophobicContact CD2-CG2 3.69Å; L437-I448 HydrophobicContact CG-CD1 4.12Å; L437-I448 HydrophobicContact CG-CG1 4.05Å; L437-I448 HydrophobicContact CG-CG2 4.41Å; L437-I448 WeakPolarHBondContact O-CD1 3.41Å; F438-I448 HydrophobicContact CD1-CD1 4.26Å; F438-I448 HydrophobicContact CD2-CD1 4.44Å; F438-I448 HydrophobicContact CE1-CD1 4.26Å; F438-I448 HydrophobicContact CE2-CD1 4.43Å; F438-I448 HydrophobicContact CE2-CG2 3.9Å; F438-I448 HydrophobicContact CG-CD1 4.36Å; F438-I448 HydrophobicContact CZ-CD1 4.35Å; F438-I448 HydrophobicContact CZ-CG2 3.78Å; L443-I448 HydrophobicContact CB-CD1 4.32Å; L443-I448 HydrophobicContact CB-CG1 4.26Å; S444-I448 WeakPolarHBondContact O-CG1 3.32Å; S444-I448 PolarHBondContact O-N 3.3Å; W445-I448 CarbonylContact O-C 3.49Å; W445-I448 WeakPolarHBondContact O-CB 3.42Å; W445-I448 PolarHBondContact O-N 3.3Å; W445-I448 VanDerWaalsContact O-N 3.17Å; I448-F452 WeakPolarHBondContact O-CB 3.35Å; I448-F452 PolarHBondContact O-N 3.12Å; I448-M476 HydrophobicContact CB-CE 4.1Å; I448-M476 HydrophobicContact CG2-CE 3.9Å; I448-I480 HydrophobicContact CG2-CD1 3.79Å; I448-F504 HydrophobicContact CG2-CE2 4.43Å; I448-F504 HydrophobicContact CG2-CZ 4.11Å |
| 449 | A | 86.7 | Confident | 80.8 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64.2 | -46.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112 | W445 F446 A447 F452 K453 V467 F468 M476 | W445-A449 HydrophobicContact CE3-CB 3.97Å; W445-A449 HydrophobicContact CZ3-CB 4.02Å; W445-A449 WeakPolarHBondContact O-CB 3.34Å; W445-A449 PolarHBondContact O-N 3.09Å; F446-A449 PolarHBondContact O-N 2.93Å; A447-A449 PolarHBondContact O-N 3.22Å; A449-F452 PolarHBondContact O-N 2.97Å; A449-K453 WeakPolarHBondContact O-CB 3.46Å; A449-K453 PolarHBondContact O-N 3.38Å; A449-V467 HydrophobicContact CB-CG1 4.14Å; A449-F468 HydrophobicContact CB-CD1 4.15Å; A449-F468 HydrophobicContact CB-CE1 3.5Å; A449-F468 HydrophobicContact CB-CZ 3.77Å; A449-M476 VanDerWaalsContact CA-CE 3.48Å; A449-M476 HydrophobicContact CB-CE 3.46Å; A449-M476 VanDerWaalsContact CB-CE 3.46Å |
| 450 | N | 85.5 | Confident | 81.4 | Confident | 44 Ų | 44 | 32 Ų | 32 | 24% | 0.235 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -71.3 | -36.8 | -179.7 | -72.1 | -45.2 | 0 | 0 | 0 | 112.1 | F446 A447 K453 S454 F468 Y511 | F446-N450 WeakPolarHBondContact O-CB 3.28Å; F446-N450 PolarHBondContact O-N 3.03Å; F446-N450 PolarHBondContact O-ND2 2.99Å; A447-N450 PolarHBondContact O-N 3.49Å; N450-K453 PolarHBondContact O-N 2.92Å; N450-S454 WeakPolarHBondContact O-CB 3.39Å; N450-S454 PolarHBondContact O-N 3.31Å; N450-S454 PolarHBondContact O-OG 3.21Å; N450-F468 WeakPolarHBondContact OD1-CZ 3.16Å; N450-Y511 HydrophobicContact CB-CD1 3.77Å; N450-Y511 HydrophobicContact CB-CD2 3.81Å; N450-Y511 HydrophobicContact CB-CE1 3.74Å; N450-Y511 HydrophobicContact CB-CE2 3.79Å; N450-Y511 HydrophobicContact CB-CG 3.82Å; N450-Y511 WeakPolarHBondContact O-CE2 3.3Å |
| 451 | A | 89.2 | Confident | 82.2 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.4 | -45.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | A447 K453 S454 I455 F504 T507 A508 Y511 | A447-A451 WeakPolarHBondContact O-CB 3.46Å; A447-A451 PolarHBondContact O-N 3.42Å; A451-K453 PolarHBondContact O-N 2.93Å; A451-S454 PolarHBondContact O-N 3.2Å; A451-I455 WeakPolarHBondContact O-CG1 3.45Å; A451-I455 PolarHBondContact O-N 2.7Å; A451-F504 HydrophobicContact CB-CD2 3.8Å; A451-F504 HydrophobicContact CB-CE2 3.76Å; A451-T507 WeakPolarHBondContact CB-OG1 3.32Å; A451-A508 HydrophobicContact CB-CB 3.77Å; A451-Y511 HydrophobicContact CB-CD2 4.06Å |
| 452 | F | 91.1 | Very high | 82.3 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -59.7 | -46.4 | 173.8 | 175.7 | -105.3 | 0 | 0 | 0 | 111.5 | I448 A449 S454 I455 C456 C464 V467 F479 I480 T483 L484 F504 | I448-F452 WeakPolarHBondContact O-CB 3.35Å; I448-F452 PolarHBondContact O-N 3.12Å; A449-F452 PolarHBondContact O-N 2.97Å; F452-S454 PolarHBondContact O-N 2.98Å; F452-I455 WeakPolarHBondContact O-CB 3.32Å; F452-I455 PolarHBondContact O-N 2.85Å; F452-C456 WeakPolarHBondContact CZ-SG 3.48Å; F452-C456 PolarHBondContact O-N 2.95Å; F452-C456 PolarHBondContact O-SG 3.36Å; F452-C456 VanDerWaalsContact O-SG 3.33Å; F452-C464 HydrophobicContact CE1-CB 4.37Å; F452-V467 HydrophobicContact CD1-CB 4.35Å; F452-V467 HydrophobicContact CD1-CG1 4.4Å; F452-V467 HydrophobicContact CD1-CG2 4.19Å; F452-V467 HydrophobicContact CE1-CB 4.49Å; F452-F479 HydrophobicContact CE1-CD1 4.39Å; F452-F479 AromaticContact CE1-CE1 3.94Å; F452-F479 HydrophobicContact CE1-CE1 3.94Å; F452-F479 HydrophobicContact CZ-CE1 4.39Å; F452-I480 HydrophobicContact CB-CD1 4.13Å; F452-I480 HydrophobicContact CB-CG1 4.42Å; F452-I480 HydrophobicContact CD1-CG1 4.04Å; F452-I480 HydrophobicContact CD2-CB 4.28Å; F452-I480 HydrophobicContact CD2-CD1 4.38Å; F452-I480 HydrophobicContact CD2-CG1 3.87Å; F452-I480 HydrophobicContact CD2-CG2 3.77Å; F452-I480 HydrophobicContact CE1-CG1 4.27Å; F452-I480 HydrophobicContact CE2-CB 4.26Å; F452-I480 HydrophobicContact CE2-CG1 4.1Å; F452-I480 HydrophobicContact CE2-CG2 3.95Å; F452-I480 HydrophobicContact CG-CD1 4.08Å; F452-I480 HydrophobicContact CG-CG1 3.83Å; F452-I480 HydrophobicContact CZ-CG1 4.28Å; F452-T483 HydrophobicContact CE2-CG2 4.49Å; F452-T483 HydrophobicContact CZ-CG2 3.75Å; F452-L484 HydrophobicContact CD2-CD2 4.42Å; F452-L484 HydrophobicContact CE2-CD2 3.98Å; F452-L484 HydrophobicContact CE2-CG 4.06Å; F452-F504 HydrophobicContact CB-CE2 3.91Å; F452-F504 HydrophobicContact CB-CZ 3.83Å; F452-F504 HydrophobicContact CD2-CZ 4.33Å |
| 453 | K | 87.7 | Confident | 82.2 | Confident | 54 Ų | 54 | 44.5 Ų | 44.5 | 24% | 0.235 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.4 | -45.5 | 175.2 | 177.7 | 167.4 | 175.4 | 164.6 | 0 | 111.9 | A449 N450 A451 I455 C456 E457 D465 F468 | A449-K453 WeakPolarHBondContact O-CB 3.46Å; A449-K453 PolarHBondContact O-N 3.38Å; N450-K453 PolarHBondContact O-N 2.92Å; A451-K453 PolarHBondContact O-N 2.93Å; K453-I455 VanDerWaalsContact C-N 3.27Å; K453-I455 PolarHBondContact O-N 3.2Å; K453-C456 PolarHBondContact O-N 3.3Å; K453-E457 WeakPolarHBondContact CE-OE1 3.44Å; K453-E457 HydrophobicContact CG-CG 4.34Å; K453-E457 IonicContact NZ-OE1 3.3Å; K453-E457 WeakPolarHBondContact O-CB 3.39Å; K453-E457 WeakPolarHBondContact O-CG 3.42Å; K453-E457 PolarHBondContact O-N 2.98Å; K453-D465 IonicContact NZ-OD1 3.89Å; K453-D465 PolarHBondContact NZ-OD1 3.02Å; K453-F468 HydrophobicContact CD-CE2 3.97Å |
| 454 | S | 87.3 | Confident | 81.7 | Confident | 30 Ų | 30 | 45 Ų | 45 | 21% | 0.21 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.8 | -37.3 | 178.5 | -56.6 | 0 | 0 | 0 | 0 | 111.5 | N450 A451 F452 S458 Y511 | N450-S454 WeakPolarHBondContact O-CB 3.39Å; N450-S454 PolarHBondContact O-N 3.31Å; N450-S454 PolarHBondContact O-OG 3.21Å; A451-S454 PolarHBondContact O-N 3.2Å; F452-S454 PolarHBondContact O-N 2.98Å; S454-S458 WeakPolarHBondContact O-CB 3.4Å; S454-S458 PolarHBondContact O-N 3.07Å; S454-Y511 VanDerWaalsContact OG-CE2 3.27Å; S454-Y511 WeakPolarHBondContact OG-CE2 3.24Å; S454-Y511 PolarHBondContact OG-OH 2.9Å |
| 455 | I | 87.7 | Confident | 81.3 | Confident | 3 Ų | 3 | 49.7 Ų | 49.7 | 2% | 0.015 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.8 | -51.7 | 172.5 | -73 | 165.6 | 0 | 0 | 0 | 110.7 | A451 F452 K453 E457 S458 Y459 L488 M500 F504 | A451-I455 WeakPolarHBondContact O-CG1 3.45Å; A451-I455 PolarHBondContact O-N 2.7Å; F452-I455 WeakPolarHBondContact O-CB 3.32Å; F452-I455 PolarHBondContact O-N 2.85Å; K453-I455 VanDerWaalsContact C-N 3.27Å; K453-I455 PolarHBondContact O-N 3.2Å; I455-E457 PolarHBondContact O-N 3.03Å; I455-S458 WeakPolarHBondContact CA-OG 3.4Å; I455-S458 WeakPolarHBondContact O-CB 3.34Å; I455-S458 PolarHBondContact O-N 3.46Å; I455-S458 PolarHBondContact O-OG 3.12Å; I455-Y459 HydrophobicContact CG2-CD2 3.82Å; I455-Y459 HydrophobicContact CG2-CE2 3.96Å; I455-Y459 VanDerWaalsContact O-CD2 3.26Å; I455-Y459 WeakPolarHBondContact O-CD2 3.47Å; I455-Y459 PolarHBondContact O-N 2.97Å; I455-L488 HydrophobicContact CG2-CD1 4.31Å; I455-M500 HydrophobicContact CG2-CG 4.3Å; I455-F504 HydrophobicContact CD1-CB 3.14Å; I455-F504 HydrophobicContact CD1-CD1 4.1Å; I455-F504 HydrophobicContact CD1-CD2 3.38Å; I455-F504 HydrophobicContact CD1-CE2 4.31Å; I455-F504 HydrophobicContact CD1-CG 3.27Å |
| 456 | C | 86.3 | Confident | 80.9 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -56.5 | -41.1 | 179 | -71.3 | 0 | 0 | 0 | 0 | 112.2 | F452 K453 Y459 S460 L461 C464 | F452-C456 WeakPolarHBondContact CZ-SG 3.48Å; F452-C456 PolarHBondContact O-N 2.95Å; F452-C456 PolarHBondContact O-SG 3.36Å; F452-C456 VanDerWaalsContact O-SG 3.33Å; K453-C456 PolarHBondContact O-N 3.3Å; C456-Y459 CarbonylContact O-C 3.42Å; C456-Y459 PolarHBondContact O-N 3.21Å; C456-S460 PolarHBondContact O-N 2.86Å; C456-L461 HydrophobicContact CB-CB 4.08Å; C456-L461 HydrophobicContact CB-CD1 4.44Å; C456-L461 PolarHBondContact O-N 3.36Å; C456-C464 HydrophobicContact CB-CB 4.06Å; C456-C464 WeakPolarHBondContact CB-SG 3.4Å; C456-C464 PolarHBondContact SG-SG 3.31Å |
| 457 | E | 84.4 | Confident | 80.7 | Confident | 117 Ų | 117 | 47.6 Ų | 47.6 | 55% | 0.547 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -63.3 | -43.4 | 173.7 | -73.4 | 174.9 | 178.5 | 0 | 0 | 111.8 | K453 I455 Y459 S460 | K453-E457 WeakPolarHBondContact CE-OE1 3.44Å; K453-E457 HydrophobicContact CG-CG 4.34Å; K453-E457 IonicContact NZ-OE1 3.3Å; K453-E457 WeakPolarHBondContact O-CB 3.39Å; K453-E457 WeakPolarHBondContact O-CG 3.42Å; K453-E457 PolarHBondContact O-N 2.98Å; I455-E457 PolarHBondContact O-N 3.03Å; E457-Y459 PolarHBondContact O-N 2.9Å; E457-S460 PolarHBondContact O-N 2.68Å |
| 458 | S | 83.3 | Confident | 80.1 | Confident | 80 Ų | 80 | 50.7 Ų | 50.7 | 56% | 0.559 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -61.3 | -27.1 | 176.4 | 74.6 | 0 | 0 | 0 | 0 | 113.3 | S454 I455 | S454-S458 WeakPolarHBondContact O-CB 3.4Å; S454-S458 PolarHBondContact O-N 3.07Å; I455-S458 WeakPolarHBondContact CA-OG 3.4Å; I455-S458 WeakPolarHBondContact O-CB 3.34Å; I455-S458 PolarHBondContact O-N 3.46Å; I455-S458 PolarHBondContact O-OG 3.12Å |
| 459 | Y | 83.6 | Confident | 79.2 | Confident | 90 Ų | 90 | 56.1 Ų | 56.1 | 35% | 0.353 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.8 | 13 | 175.5 | -69.6 | -81.3 | 0 | 0 | 0 | 113.6 | I455 C456 E457 L461 L488 L492 M500 | I455-Y459 HydrophobicContact CG2-CD2 3.82Å; I455-Y459 HydrophobicContact CG2-CE2 3.96Å; I455-Y459 VanDerWaalsContact O-CD2 3.26Å; I455-Y459 WeakPolarHBondContact O-CD2 3.47Å; I455-Y459 PolarHBondContact O-N 2.97Å; C456-Y459 CarbonylContact O-C 3.42Å; C456-Y459 PolarHBondContact O-N 3.21Å; E457-Y459 PolarHBondContact O-N 2.9Å; Y459-L461 VanDerWaalsContact C-N 3.32Å; Y459-L461 PolarHBondContact O-N 3.37Å; Y459-L488 HydrophobicContact CD1-CD2 3.73Å; Y459-L488 HydrophobicContact CD2-CD2 3.56Å; Y459-L488 HydrophobicContact CE1-CD2 4.31Å; Y459-L488 HydrophobicContact CE2-CD2 4.19Å; Y459-L488 HydrophobicContact CG-CD2 3.32Å; Y459-L492 HydrophobicContact CE1-CD2 3.85Å; Y459-M500 HydrophobicContact CE2-CG 4.05Å |
| 460 | S | 83.4 | Confident | 78.3 | Confident | 102 Ų | 102 | 57 Ų | 57 | 71% | 0.713 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.5 | 32.4 | 175.8 | -53.3 | 0 | 0 | 0 | 0 | 115.7 | C456 E457 | C456-S460 PolarHBondContact O-N 2.86Å; E457-S460 PolarHBondContact O-N 2.68Å |
| 461 | L | 78.9 | Confident | 77.3 | Confident | 36 Ų | 36 | 57.4 Ų | 57.4 | 19% | 0.188 | 32% | 0.32 | C | S | . | . | trans | -83.2 | 119.9 | 175.6 | -72.3 | 140.6 | 0 | 0 | 0 | 111 | C456 Y459 K487 L488 | C456-L461 HydrophobicContact CB-CB 4.08Å; C456-L461 HydrophobicContact CB-CD1 4.44Å; C456-L461 PolarHBondContact O-N 3.36Å; Y459-L461 VanDerWaalsContact C-N 3.32Å; Y459-L461 PolarHBondContact O-N 3.37Å; L461-K487 HydrophobicContact CD2-CB 3.54Å; L461-K487 HydrophobicContact CD2-CD 3.62Å; L461-K487 HydrophobicContact CD2-CG 4.23Å; L461-L488 HydrophobicContact CD1-CD1 3.48Å; L461-L488 VanDerWaalsContact CD1-CD1 3.48Å; L461-L488 HydrophobicContact CD1-CD2 3.74Å; L461-L488 HydrophobicContact CD1-CG 3.42Å; L461-L488 VanDerWaalsContact CD1-CG 3.42Å | ||
| 462 | L | 63.8 | Low | 76.5 | Confident | 151 Ų | 151 | 58.4 Ų | 58.4 | 79% | 0.791 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -83.1 | 150.4 | 174 | -70.7 | 127.6 | 0 | 0 | 0 | 111.2 | ||
| 463 | D | 65.9 | Low | 75.7 | Confident | 141 Ų | 141 | 59.5 Ų | 59.5 | 75% | 0.754 | 33% | 0.331 | S | S | * | . | trans | 69.7 | 52.4 | -179.4 | -69.3 | -27 | 0 | 0 | 0 | 116.9 | ||||
| 464 | C | 63.9 | Low | 75.3 | Confident | 10 Ų | 10 | 63 Ų | 63 | 7% | 0.068 | 35% | 0.348 | C | S | . | . | trans | -100.3 | -6.1 | 173 | -58.4 | 0 | 0 | 0 | 0 | 114.1 | F452 C456 S466 V467 | F452-C464 HydrophobicContact CE1-CB 4.37Å; C456-C464 HydrophobicContact CB-CB 4.06Å; C456-C464 WeakPolarHBondContact CB-SG 3.4Å; C456-C464 PolarHBondContact SG-SG 3.31Å; C464-S466 PolarHBondContact O-N 3.06Å; C464-S466 VanDerWaalsContact O-N 3.15Å; C464-V467 WeakPolarHBondContact O-CG1 3.4Å; C464-V467 PolarHBondContact O-N 2.76Å; C464-V467 VanDerWaalsContact O-N 3.09Å | ||
| 465 | D | 71.3 | Confident | 75 | Confident | 99 Ų | 99 | 65.7 Ų | 65.7 | 53% | 0.529 | 36% | 0.357 | S | S | . | . | G | 310 helix | trans | -63.8 | -19 | 176.5 | -77.1 | -19.4 | 0 | 0 | 0 | 112.5 | K453 V467 F468 | K453-D465 IonicContact NZ-OD1 3.89Å; K453-D465 PolarHBondContact NZ-OD1 3.02Å; D465-V467 PolarHBondContact O-N 2.93Å; D465-F468 PolarHBondContact O-N 2.88Å |
| 466 | S | 71.2 | Confident | 74.8 | Confident | 43 Ų | 43 | 65.5 Ų | 65.5 | 30% | 0.301 | 36% | 0.357 | S | S | . | . | G | 310 helix | trans | -59.9 | -23.3 | 173 | 57.8 | 0 | 0 | 0 | 0 | 112.9 | C464 F468 T469 F479 | C464-S466 PolarHBondContact O-N 3.06Å; C464-S466 VanDerWaalsContact O-N 3.15Å; S466-F468 PolarHBondContact O-N 3.09Å; S466-T469 WeakPolarHBondContact CA-OG1 3.43Å; S466-T469 PolarHBondContact O-N 3.23Å; S466-T469 PolarHBondContact O-OG1 3.37Å; S466-F479 WeakPolarHBondContact OG-CE2 3.47Å; S466-F479 WeakPolarHBondContact OG-CZ 3.32Å |
| 467 | V | 74.8 | Confident | 74.8 | Confident | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 36% | 0.363 | C | S | . | . | G | 310 helix | trans | -60.1 | -29.5 | 175.1 | 82.2 | 0 | 0 | 0 | 0 | 112.1 | A449 F452 C464 D465 T469 V470 M476 F479 I480 | A449-V467 HydrophobicContact CB-CG1 4.14Å; F452-V467 HydrophobicContact CD1-CB 4.35Å; F452-V467 HydrophobicContact CD1-CG1 4.4Å; F452-V467 HydrophobicContact CD1-CG2 4.19Å; F452-V467 HydrophobicContact CE1-CB 4.49Å; C464-V467 WeakPolarHBondContact O-CG1 3.4Å; C464-V467 PolarHBondContact O-N 2.76Å; C464-V467 VanDerWaalsContact O-N 3.09Å; D465-V467 PolarHBondContact O-N 2.93Å; V467-T469 VanDerWaalsContact C-N 3.34Å; V467-V470 WeakPolarHBondContact O-CG2 3.35Å; V467-M476 HydrophobicContact CG2-CE 4.02Å; V467-M476 HydrophobicContact CG2-CG 3.82Å; V467-F479 HydrophobicContact CB-CD1 3.97Å; V467-F479 HydrophobicContact CB-CE1 3.89Å; V467-F479 HydrophobicContact CG2-CD1 3.84Å; V467-F479 HydrophobicContact CG2-CE1 4.24Å; V467-I480 HydrophobicContact CG2-CD1 4.31Å; V467-I480 HydrophobicContact CG2-CG1 4.12Å |
| 468 | F | 68.6 | Low | 74.9 | Confident | 64 Ų | 64 | 64.6 Ų | 64.6 | 28% | 0.281 | 36% | 0.355 | S | S | . | . | G | 310 helix | trans | -82.6 | -10.8 | 176.5 | -62.6 | -80 | 0 | 0 | 0 | 113.4 | W445 F446 A449 N450 K453 D465 S466 | W445-F468 HydrophobicContact CH2-CD1 4.25Å; W445-F468 AromaticContact CZ3-CD1 3.87Å; W445-F468 HydrophobicContact CZ3-CD1 3.87Å; W445-F468 HydrophobicContact CZ3-CE1 4.28Å; F446-F468 HydrophobicContact CD1-CE1 4.4Å; A449-F468 HydrophobicContact CB-CD1 4.15Å; A449-F468 HydrophobicContact CB-CE1 3.5Å; A449-F468 HydrophobicContact CB-CZ 3.77Å; N450-F468 WeakPolarHBondContact OD1-CZ 3.16Å; K453-F468 HydrophobicContact CD-CE2 3.97Å; D465-F468 PolarHBondContact O-N 2.88Å; S466-F468 PolarHBondContact O-N 3.09Å |
| 469 | T | 69.7 | Low | 75.1 | Confident | 115 Ų | 115 | 63.4 Ų | 63.4 | 71% | 0.706 | 34% | 0.34 | S | S | * | . | G | 310 helix | trans | -91.1 | -5.8 | 177.4 | 66.1 | 0 | 0 | 0 | 0 | 113.2 | S466 V467 | S466-T469 WeakPolarHBondContact CA-OG1 3.43Å; S466-T469 PolarHBondContact O-N 3.23Å; S466-T469 PolarHBondContact O-OG1 3.37Å; V467-T469 VanDerWaalsContact C-N 3.34Å |
| 470 | V | 67.3 | Low | 75.4 | Confident | 19 Ų | 19 | 59.1 Ų | 59.1 | 12% | 0.115 | 32% | 0.323 | C | S | . | . | trans | -67 | 139.2 | -178 | 174.8 | 0 | 0 | 0 | 0 | 111.1 | L360 V467 N472 E475 M476 | L360-V470 WeakPolarHBondContact CD1-O 3.12Å; V467-V470 WeakPolarHBondContact O-CG2 3.35Å; V470-N472 WeakPolarHBondContact CG1-O 3.28Å; V470-E475 HydrophobicContact CG1-CB 3.21Å; V470-E475 HydrophobicContact CG1-CG 4.39Å; V470-M476 HydrophobicContact CB-CB 4.45Å; V470-M476 HydrophobicContact CG1-CB 3.99Å | ||
| 471 | S | 65.1 | Low | 75.8 | Confident | 51 Ų | 51 | 55.5 Ų | 55.5 | 36% | 0.357 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -76.2 | -40.1 | -177.6 | 64.6 | 0 | 0 | 0 | 0 | 112.6 | T358 D359 L360 E475 | T358-S471 CarbonylContact O-C 3.07Å; D359-S471 WeakPolarHBondContact CA-O 3.36Å; L360-S471 PolarHBondContact N-O 3.28Å; S471-E475 PolarHBondContact N-OE2 3.03Å; S471-E475 VanDerWaalsContact N-OE2 3.14Å; S471-E475 VanDerWaalsContact OG-CD 3.22Å; S471-E475 PolarHBondContact OG-OE1 3.4Å; S471-E475 PolarHBondContact OG-OE2 3.43Å |
| 472 | N | 71.8 | Confident | 76.3 | Confident | 21 Ų | 21 | 61.6 Ų | 61.6 | 11% | 0.112 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -134.7 | 159 | -171.6 | 61.9 | 73 | 0 | 0 | 0 | 114.2 | T358 V470 H474 E475 M476 | T358-N472 HydrophobicContact CG2-CB 4.35Å; T358-N472 VanDerWaalsContact O-CB 3.22Å; T358-N472 WeakPolarHBondContact O-CB 3.49Å; V470-N472 WeakPolarHBondContact CG1-O 3.28Å; N472-H474 PolarHBondContact O-N 3.35Å; N472-H474 WeakPolarHBondContact OD1-CB 3.23Å; N472-H474 PolarHBondContact OD1-N 3.33Å; N472-E475 PolarHBondContact ND2-OE1 2.83Å; N472-E475 PolarHBondContact O-N 3.36Å; N472-E475 WeakPolarHBondContact OD1-CB 3.3Å; N472-E475 WeakPolarHBondContact OD1-CG 3.28Å; N472-E475 PolarHBondContact OD1-N 3.34Å; N472-M476 PolarHBondContact O-N 3.32Å |
| 473 | L | 74.2 | Confident | 77.5 | Confident | 23 Ų | 23 | 54.9 Ų | 54.9 | 12% | 0.12 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.6 | -29.9 | 179.9 | -70.3 | 171.4 | 0 | 0 | 0 | 113.4 | T353 N354 L360 F438 W445 M476 R477 | T353-L473 HydrophobicContact CG2-CD1 4.4Å; T353-L473 HydrophobicContact CG2-CD2 4.16Å; N354-L473 WeakPolarHBondContact O-CD1 3.38Å; L360-L473 HydrophobicContact CD2-CD2 3.68Å; L360-L473 HydrophobicContact CD2-CG 3.99Å; F438-L473 HydrophobicContact CE1-CD2 4.28Å; W445-L473 HydrophobicContact CB-CD2 3.4Å; W445-L473 HydrophobicContact CG-CD2 3.98Å; L473-M476 HydrophobicContact CD2-SD 4.48Å; L473-M476 WeakPolarHBondContact O-CB 3.28Å; L473-M476 PolarHBondContact O-N 2.89Å; L473-R477 WeakPolarHBondContact O-CB 3.28Å; L473-R477 PolarHBondContact O-N 3.47Å |
| 474 | H | 78.6 | Confident | 78.6 | Confident | 127 Ų | 127 | 48.2 Ų | 48.2 | 59% | 0.588 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -69.6 | -48.5 | 179 | -177.9 | 74.3 | 0 | 0 | 0 | 111.3 | N472 M476 R477 V478 | N472-H474 PolarHBondContact O-N 3.35Å; N472-H474 WeakPolarHBondContact OD1-CB 3.23Å; N472-H474 PolarHBondContact OD1-N 3.33Å; H474-M476 PolarHBondContact O-N 2.93Å; H474-R477 PolarHBondContact O-N 3.29Å; H474-V478 WeakPolarHBondContact O-CB 3.47Å; H474-V478 VanDerWaalsContact O-CG2 3.26Å; H474-V478 WeakPolarHBondContact O-CG2 3.47Å; H474-V478 PolarHBondContact O-N 3.1Å |
| 475 | E | 80.6 | Confident | 79.8 | Confident | 87 Ų | 87 | 49.2 Ų | 49.2 | 41% | 0.407 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -57.1 | -35.2 | 171 | -80.2 | 174.1 | -169.3 | 0 | 0 | 110.8 | V470 S471 N472 V478 F479 | V470-E475 HydrophobicContact CG1-CB 3.21Å; V470-E475 HydrophobicContact CG1-CG 4.39Å; S471-E475 PolarHBondContact N-OE2 3.03Å; S471-E475 VanDerWaalsContact N-OE2 3.14Å; S471-E475 VanDerWaalsContact OG-CD 3.22Å; S471-E475 PolarHBondContact OG-OE1 3.4Å; S471-E475 PolarHBondContact OG-OE2 3.43Å; N472-E475 PolarHBondContact ND2-OE1 2.83Å; N472-E475 PolarHBondContact O-N 3.36Å; N472-E475 WeakPolarHBondContact OD1-CB 3.3Å; N472-E475 WeakPolarHBondContact OD1-CG 3.28Å; N472-E475 PolarHBondContact OD1-N 3.34Å; E475-V478 PolarHBondContact O-N 3.34Å; E475-F479 WeakPolarHBondContact O-CB 3.46Å; E475-F479 PolarHBondContact O-N 3.18Å |
| 476 | M | 83.5 | Confident | 80.5 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -70.6 | -45.1 | 179.9 | -174.4 | -175.6 | 170.7 | 0 | 0 | 110 | F438 W445 I448 A449 V467 V470 N472 L473 H474 F479 I480 | F438-M476 HydrophobicContact CE1-CB 4.47Å; F438-M476 HydrophobicContact CE1-CG 4.42Å; F438-M476 HydrophobicContact CE1-SD 4.28Å; F438-M476 HydrophobicContact CZ-CG 4.23Å; F438-M476 HydrophobicContact CZ-SD 4.39Å; W445-M476 HydrophobicContact CB-SD 4.08Å; W445-M476 HydrophobicContact CE3-CE 4.2Å; W445-M476 HydrophobicContact CE3-SD 3.98Å; W445-M476 WeakPolarHBondContact O-CE 3.49Å; I448-M476 HydrophobicContact CB-CE 4.1Å; I448-M476 HydrophobicContact CG2-CE 3.9Å; A449-M476 VanDerWaalsContact CA-CE 3.48Å; A449-M476 HydrophobicContact CB-CE 3.46Å; A449-M476 VanDerWaalsContact CB-CE 3.46Å; V467-M476 HydrophobicContact CG2-CE 4.02Å; V467-M476 HydrophobicContact CG2-CG 3.82Å; V470-M476 HydrophobicContact CB-CB 4.45Å; V470-M476 HydrophobicContact CG1-CB 3.99Å; N472-M476 PolarHBondContact O-N 3.32Å; L473-M476 HydrophobicContact CD2-SD 4.48Å; L473-M476 WeakPolarHBondContact O-CB 3.28Å; L473-M476 PolarHBondContact O-N 2.89Å; H474-M476 PolarHBondContact O-N 2.93Å; M476-F479 PolarHBondContact O-N 3.47Å; M476-I480 HydrophobicContact CE-CD1 3.86Å; M476-I480 HydrophobicContact CG-CD1 4.11Å; M476-I480 WeakPolarHBondContact O-CB 3.47Å; M476-I480 VanDerWaalsContact O-CG1 3.26Å; M476-I480 WeakPolarHBondContact O-CG1 3.4Å; M476-I480 PolarHBondContact O-N 3.41Å |
| 477 | R | 87.1 | Confident | 81.1 | Confident | 35 Ų | 35 | 52.1 Ų | 52.1 | 13% | 0.132 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59.4 | -46.5 | 173 | -177.8 | -179.6 | 179.3 | -80 | 0.5 | 111.1 | H431 L434 D435 F438 L473 H474 I480 H481 | H431-R477 PolarHBondContact ND1-NH1 2.79Å; H431-R477 PolarHBondContact ND1-NH2 2.82Å; H431-R477 PolarHBondContact O-NH2 3.34Å; L434-R477 HydrophobicContact CB-CG 4.28Å; L434-R477 HydrophobicContact CD1-CG 4.3Å; D435-R477 IonicContact OD1-CZ 2.77Å; D435-R477 IonicContact OD1-NE 3.11Å; D435-R477 PolarHBondContact OD1-NE 2.88Å; D435-R477 VanDerWaalsContact OD1-NE 3.13Å; D435-R477 IonicContact OD1-NH2 3.47Å; D435-R477 PolarHBondContact OD1-NH2 3.28Å; D435-R477 IonicContact OD2-NH2 3.19Å; F438-R477 HydrophobicContact CD1-CB 4.33Å; F438-R477 HydrophobicContact CD2-CB 4.22Å; F438-R477 HydrophobicContact CD2-CG 4.11Å; F438-R477 HydrophobicContact CE1-CB 4.13Å; F438-R477 HydrophobicContact CE2-CB 4.01Å; F438-R477 HydrophobicContact CE2-CG 4.19Å; F438-R477 HydrophobicContact CG-CB 4.37Å; F438-R477 HydrophobicContact CG-CG 4.48Å; F438-R477 HydrophobicContact CZ-CB 3.96Å; L473-R477 WeakPolarHBondContact O-CB 3.28Å; L473-R477 PolarHBondContact O-N 3.47Å; H474-R477 PolarHBondContact O-N 3.29Å; R477-I480 PolarHBondContact O-N 3.21Å; R477-H481 WeakPolarHBondContact O-CB 3.31Å; R477-H481 PolarHBondContact O-N 2.86Å |
| 478 | V | 86.4 | Confident | 81.6 | Confident | 63 Ų | 63 | 52.4 Ų | 52.4 | 38% | 0.382 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -64.7 | -41.8 | 178.4 | 171.2 | 0 | 0 | 0 | 0 | 110.8 | H474 E475 H481 R482 | H474-V478 WeakPolarHBondContact O-CB 3.47Å; H474-V478 VanDerWaalsContact O-CG2 3.26Å; H474-V478 WeakPolarHBondContact O-CG2 3.47Å; H474-V478 PolarHBondContact O-N 3.1Å; E475-V478 PolarHBondContact O-N 3.34Å; V478-H481 PolarHBondContact O-N 3.45Å; V478-R482 WeakPolarHBondContact O-CB 3.27Å; V478-R482 PolarHBondContact O-N 3.33Å |
| 479 | F | 87 | Confident | 82.4 | Confident | 55 Ų | 55 | 50.5 Ų | 50.5 | 24% | 0.241 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -64.4 | -46.1 | 177.2 | 179.7 | -93 | 0 | 0 | 0 | 111.5 | F452 S466 V467 E475 M476 T483 | F452-F479 HydrophobicContact CE1-CD1 4.39Å; F452-F479 AromaticContact CE1-CE1 3.94Å; F452-F479 HydrophobicContact CE1-CE1 3.94Å; F452-F479 HydrophobicContact CZ-CE1 4.39Å; S466-F479 WeakPolarHBondContact OG-CE2 3.47Å; S466-F479 WeakPolarHBondContact OG-CZ 3.32Å; V467-F479 HydrophobicContact CB-CD1 3.97Å; V467-F479 HydrophobicContact CB-CE1 3.89Å; V467-F479 HydrophobicContact CG2-CD1 3.84Å; V467-F479 HydrophobicContact CG2-CE1 4.24Å; E475-F479 WeakPolarHBondContact O-CB 3.46Å; E475-F479 PolarHBondContact O-N 3.18Å; M476-F479 PolarHBondContact O-N 3.47Å; F479-T483 VanDerWaalsContact O-CB 3.28Å; F479-T483 WeakPolarHBondContact O-CB 3.36Å; F479-T483 PolarHBondContact O-N 3.49Å; F479-T483 PolarHBondContact O-OG1 3.49Å |
| 480 | I | 90.4 | Very high | 83.1 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.7 | -49.6 | 175.6 | -71.4 | 175.1 | 0 | 0 | 0 | 109.9 | L434 F438 I448 F452 V467 M476 R477 R482 T483 L484 F504 | L434-I480 HydrophobicContact CD2-CG2 3.92Å; F438-I480 HydrophobicContact CE2-CD1 4.31Å; F438-I480 HydrophobicContact CZ-CD1 4Å; I448-I480 HydrophobicContact CG2-CD1 3.79Å; F452-I480 HydrophobicContact CB-CD1 4.13Å; F452-I480 HydrophobicContact CB-CG1 4.42Å; F452-I480 HydrophobicContact CD1-CG1 4.04Å; F452-I480 HydrophobicContact CD2-CB 4.28Å; F452-I480 HydrophobicContact CD2-CD1 4.38Å; F452-I480 HydrophobicContact CD2-CG1 3.87Å; F452-I480 HydrophobicContact CD2-CG2 3.77Å; F452-I480 HydrophobicContact CE1-CG1 4.27Å; F452-I480 HydrophobicContact CE2-CB 4.26Å; F452-I480 HydrophobicContact CE2-CG1 4.1Å; F452-I480 HydrophobicContact CE2-CG2 3.95Å; F452-I480 HydrophobicContact CG-CD1 4.08Å; F452-I480 HydrophobicContact CG-CG1 3.83Å; F452-I480 HydrophobicContact CZ-CG1 4.28Å; V467-I480 HydrophobicContact CG2-CD1 4.31Å; V467-I480 HydrophobicContact CG2-CG1 4.12Å; M476-I480 HydrophobicContact CE-CD1 3.86Å; M476-I480 HydrophobicContact CG-CD1 4.11Å; M476-I480 WeakPolarHBondContact O-CB 3.47Å; M476-I480 VanDerWaalsContact O-CG1 3.26Å; M476-I480 WeakPolarHBondContact O-CG1 3.4Å; M476-I480 PolarHBondContact O-N 3.41Å; R477-I480 PolarHBondContact O-N 3.21Å; I480-R482 PolarHBondContact O-N 2.93Å; I480-T483 PolarHBondContact O-N 2.85Å; I480-L484 HydrophobicContact CG2-CD1 3.73Å; I480-L484 HydrophobicContact CG2-CG 4.18Å; I480-L484 WeakPolarHBondContact O-CB 3.27Å; I480-L484 VanDerWaalsContact O-CG 3.26Å; I480-L484 WeakPolarHBondContact O-CG 3.36Å; I480-L484 PolarHBondContact O-N 3.35Å; I480-F504 HydrophobicContact CD1-CZ 4.48Å; I480-F504 HydrophobicContact CG2-CE1 4.02Å; I480-F504 HydrophobicContact CG2-CZ 4.26Å |
| 481 | H | 92.5 | Very high | 83.9 | Confident | 26 Ų | 26 | 55 Ų | 55 | 12% | 0.12 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -54 | -54 | 177.9 | -178 | -85.5 | 0 | 0 | 0 | 111.3 | D427 L430 H431 L434 R477 V478 T483 L484 M485 | D427-H481 IonicContact OD1-CE1 2.88Å; D427-H481 PolarHBondContact OD1-CE1 3.33Å; D427-H481 IonicContact OD1-NE2 3.83Å; D427-H481 PolarHBondContact OD1-NE2 3.34Å; L430-H481 VanDerWaalsContact CD2-CD2 3.49Å; L430-H481 WeakPolarHBondContact CD2-CD2 3.47Å; H431-H481 AromaticContact CD2-NE2 3.64Å; H431-H481 AromaticContact CE1-CD2 3.76Å; H431-H481 AromaticContact CE1-NE2 3.64Å; H431-H481 AromaticContact ND1-CD2 3.97Å; H431-H481 AromaticContact NE2-CE1 3.81Å; H431-H481 AromaticContact NE2-NE2 3.42Å; H431-H481 PolarHBondContact NE2-NE2 2.93Å; L434-H481 HydrophobicContact CD1-CB 3.64Å; R477-H481 WeakPolarHBondContact O-CB 3.31Å; R477-H481 PolarHBondContact O-N 2.86Å; V478-H481 PolarHBondContact O-N 3.45Å; H481-T483 PolarHBondContact O-N 3.35Å; H481-L484 PolarHBondContact O-N 3.02Å; H481-M485 VanDerWaalsContact O-CB 3.32Å; H481-M485 WeakPolarHBondContact O-CB 3.18Å; H481-M485 WeakPolarHBondContact O-CG 3.44Å; H481-M485 PolarHBondContact O-N 2.87Å |
| 482 | R | 89.1 | Confident | 84.8 | Confident | 163 Ų | 163 | 54.3 Ų | 54.3 | 62% | 0.615 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -61.3 | -42.5 | -179.8 | -171 | 176.7 | -159.1 | 161.7 | 9 | 112 | V478 I480 M485 D486 | V478-R482 WeakPolarHBondContact O-CB 3.27Å; V478-R482 PolarHBondContact O-N 3.33Å; I480-R482 PolarHBondContact O-N 2.93Å; R482-M485 PolarHBondContact O-N 3.4Å; R482-D486 WeakPolarHBondContact CG-OD2 3.32Å; R482-D486 IonicContact NE-OD2 3.12Å; R482-D486 WeakPolarHBondContact O-CB 3.44Å; R482-D486 PolarHBondContact O-N 2.8Å |
| 483 | T | 88.1 | Confident | 85.4 | Confident | 11 Ų | 11 | 58.7 Ų | 58.7 | 7% | 0.067 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -69.2 | -39.9 | 179.9 | -53.6 | 0 | 0 | 0 | 0 | 111.6 | F452 F479 I480 H481 K487 | F452-T483 HydrophobicContact CE2-CG2 4.49Å; F452-T483 HydrophobicContact CZ-CG2 3.75Å; F479-T483 VanDerWaalsContact O-CB 3.28Å; F479-T483 WeakPolarHBondContact O-CB 3.36Å; F479-T483 PolarHBondContact O-N 3.49Å; F479-T483 PolarHBondContact O-OG1 3.49Å; I480-T483 PolarHBondContact O-N 2.85Å; H481-T483 PolarHBondContact O-N 3.35Å; T483-K487 HydrophobicContact CG2-CD 4.15Å; T483-K487 HydrophobicContact CG2-CG 4.47Å; T483-K487 VanDerWaalsContact O-CB 3.32Å; T483-K487 WeakPolarHBondContact O-CB 3.22Å; T483-K487 PolarHBondContact O-N 2.84Å |
| 484 | L | 89.1 | Confident | 85.6 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 31% | 0.307 | C | S | . | . | I | π-helix | trans | -64.6 | -47 | 174.6 | -68.6 | 178.9 | 0 | 0 | 0 | 110.8 | L430 F452 I480 H481 L488 I489 M500 F504 | L430-L484 HydrophobicContact CD1-CD1 3.84Å; L430-L484 HydrophobicContact CD2-CB 3.99Å; L430-L484 HydrophobicContact CD2-CD1 4.43Å; F452-L484 HydrophobicContact CD2-CD2 4.42Å; F452-L484 HydrophobicContact CE2-CD2 3.98Å; F452-L484 HydrophobicContact CE2-CG 4.06Å; I480-L484 HydrophobicContact CG2-CD1 3.73Å; I480-L484 HydrophobicContact CG2-CG 4.18Å; I480-L484 WeakPolarHBondContact O-CB 3.27Å; I480-L484 VanDerWaalsContact O-CG 3.26Å; I480-L484 WeakPolarHBondContact O-CG 3.36Å; I480-L484 PolarHBondContact O-N 3.35Å; H481-L484 PolarHBondContact O-N 3.02Å; L484-L488 HydrophobicContact CD2-CB 4.43Å; L484-L488 HydrophobicContact CD2-CD1 3.48Å; L484-L488 VanDerWaalsContact CD2-CD1 3.48Å; L484-L488 WeakPolarHBondContact O-CB 3.4Å; L484-L488 PolarHBondContact O-N 3.49Å; L484-L488 VanDerWaalsContact O-N 3.13Å; L484-I489 HydrophobicContact CB-CD1 4.3Å; L484-I489 WeakPolarHBondContact O-CB 3.41Å; L484-I489 VanDerWaalsContact O-CG1 3.29Å; L484-I489 WeakPolarHBondContact O-CG1 3.34Å; L484-I489 PolarHBondContact O-N 3.43Å; L484-M500 HydrophobicContact CD2-CE 4.24Å; L484-M500 HydrophobicContact CD2-SD 4.13Å; L484-F504 HydrophobicContact CD1-CD1 4.44Å; L484-F504 HydrophobicContact CD1-CE1 4.19Å |
| 485 | M | 88.4 | Confident | 85.6 | Confident | 31 Ų | 31 | 59.3 Ų | 59.3 | 15% | 0.153 | 30% | 0.303 | C | S | . | . | I | π-helix | trans | -66.8 | -46.2 | 179.6 | -81 | -65.1 | 164.6 | 0 | 0 | 114 | V426 D427 L430 H481 R482 I489 P490 | V426-M485 HydrophobicContact CG1-CE 4.1Å; V426-M485 WeakPolarHBondContact O-CE 3.3Å; D427-M485 HydrophobicContact CB-CE 4.19Å; L430-M485 HydrophobicContact CB-CE 3.48Å; L430-M485 VanDerWaalsContact CB-CE 3.48Å; L430-M485 HydrophobicContact CD2-CE 3.41Å; L430-M485 VanDerWaalsContact CD2-CE 3.41Å; L430-M485 HydrophobicContact CD2-CG 3.75Å; L430-M485 HydrophobicContact CD2-SD 4.37Å; L430-M485 HydrophobicContact CG-CE 4.06Å; H481-M485 VanDerWaalsContact O-CB 3.32Å; H481-M485 WeakPolarHBondContact O-CB 3.18Å; H481-M485 WeakPolarHBondContact O-CG 3.44Å; H481-M485 PolarHBondContact O-N 2.87Å; R482-M485 PolarHBondContact O-N 3.4Å; M485-I489 HydrophobicContact CE-CD1 3.49Å; M485-I489 VanDerWaalsContact CE-CD1 3.49Å; M485-I489 HydrophobicContact CG-CD1 4.2Å; M485-I489 HydrophobicContact SD-CD1 3.6Å; M485-I489 VanDerWaalsContact SD-CD1 3.6Å; M485-I489 HydrophobicContact SD-CG2 4.42Å; M485-P490 WeakPolarHBondContact O-CD 3.43Å; M485-P490 WeakPolarHBondContact O-CG 3.37Å |
| 486 | D | 86.3 | Confident | 85.8 | Confident | 104 Ų | 104 | 55.9 Ų | 55.9 | 56% | 0.556 | 29% | 0.291 | S | S | * | . | I | π-helix | trans | -81.7 | -33.3 | -172.5 | -65.3 | -11 | 0 | 0 | 0 | 111.6 | R482 | R482-D486 WeakPolarHBondContact CG-OD2 3.32Å; R482-D486 IonicContact NE-OD2 3.12Å; R482-D486 WeakPolarHBondContact O-CB 3.44Å; R482-D486 PolarHBondContact O-N 2.8Å |
| 487 | K | 85.3 | Confident | 85.9 | Confident | 99 Ų | 99 | 56.4 Ų | 56.4 | 43% | 0.43 | 29% | 0.293 | S | S | . | . | I | π-helix | trans | -112.8 | -30.7 | -169.4 | -54.2 | -166.5 | 179.5 | 179.4 | 0 | 115.7 | L461 T483 N491 | L461-K487 HydrophobicContact CD2-CB 3.54Å; L461-K487 HydrophobicContact CD2-CD 3.62Å; L461-K487 HydrophobicContact CD2-CG 4.23Å; T483-K487 HydrophobicContact CG2-CD 4.15Å; T483-K487 HydrophobicContact CG2-CG 4.47Å; T483-K487 VanDerWaalsContact O-CB 3.32Å; T483-K487 WeakPolarHBondContact O-CB 3.22Å; T483-K487 PolarHBondContact O-N 2.84Å; K487-N491 PolarHBondContact O-ND2 2.96Å |
| 488 | L | 83.9 | Confident | 85.6 | Confident | 6 Ų | 6 | 56.8 Ų | 56.8 | 3% | 0.031 | 30% | 0.296 | C | S | . | . | I | π-helix | trans | -103.9 | -55.7 | -172.2 | -91.2 | 158.5 | 0 | 0 | 0 | 113.1 | I455 Y459 L461 L484 P490 N491 | I455-L488 HydrophobicContact CG2-CD1 4.31Å; Y459-L488 HydrophobicContact CD1-CD2 3.73Å; Y459-L488 HydrophobicContact CD2-CD2 3.56Å; Y459-L488 HydrophobicContact CE1-CD2 4.31Å; Y459-L488 HydrophobicContact CE2-CD2 4.19Å; Y459-L488 HydrophobicContact CG-CD2 3.32Å; L461-L488 HydrophobicContact CD1-CD1 3.48Å; L461-L488 VanDerWaalsContact CD1-CD1 3.48Å; L461-L488 HydrophobicContact CD1-CD2 3.74Å; L461-L488 HydrophobicContact CD1-CG 3.42Å; L461-L488 VanDerWaalsContact CD1-CG 3.42Å; L484-L488 HydrophobicContact CD2-CB 4.43Å; L484-L488 HydrophobicContact CD2-CD1 3.48Å; L484-L488 VanDerWaalsContact CD2-CD1 3.48Å; L484-L488 WeakPolarHBondContact O-CB 3.4Å; L484-L488 PolarHBondContact O-N 3.49Å; L484-L488 VanDerWaalsContact O-N 3.13Å; L488-P490 VanDerWaalsContact C-N 3.35Å; L488-N491 PolarHBondContact O-N 3.3Å |
| 489 | I | 86.6 | Confident | 85.6 | Confident | 24 Ų | 24 | 57.6 Ų | 57.6 | 12% | 0.123 | 30% | 0.301 | C | S | . | . | G | 310 helix | trans | -56.7 | -37.9 | -174.2 | -70.1 | 172.1 | 0 | 0 | 0 | 113.5 | V426 L430 L484 M485 N491 L492 F497 M500 | V426-I489 HydrophobicContact CG1-CD1 4.26Å; V426-I489 HydrophobicContact CG1-CG2 3.72Å; L430-I489 HydrophobicContact CD2-CD1 3.9Å; L484-I489 HydrophobicContact CB-CD1 4.3Å; L484-I489 WeakPolarHBondContact O-CB 3.41Å; L484-I489 VanDerWaalsContact O-CG1 3.29Å; L484-I489 WeakPolarHBondContact O-CG1 3.34Å; L484-I489 PolarHBondContact O-N 3.43Å; M485-I489 HydrophobicContact CE-CD1 3.49Å; M485-I489 VanDerWaalsContact CE-CD1 3.49Å; M485-I489 HydrophobicContact CG-CD1 4.2Å; M485-I489 HydrophobicContact SD-CD1 3.6Å; M485-I489 VanDerWaalsContact SD-CD1 3.6Å; M485-I489 HydrophobicContact SD-CG2 4.42Å; I489-N491 PolarHBondContact O-N 2.93Å; I489-L492 PolarHBondContact O-N 3.49Å; I489-L492 VanDerWaalsContact O-N 3.12Å; I489-F497 HydrophobicContact CD1-CD2 4.14Å; I489-F497 HydrophobicContact CD1-CE2 3.63Å; I489-F497 HydrophobicContact CG1-CD2 3.94Å; I489-F497 HydrophobicContact CG1-CE2 3.96Å; I489-M500 HydrophobicContact CG1-CE 4.33Å |
| 490 | P | 83.5 | Confident | 85.7 | Confident | 90 Ų | 90 | 55 Ų | 55 | 58% | 0.584 | 29% | 0.29 | S | S | * | . | G | 310 helix | trans | -61.6 | -18.8 | 177.8 | -24.5 | 35.7 | 0 | 0 | 0 | 114.1 | M485 L488 | M485-P490 WeakPolarHBondContact O-CD 3.43Å; M485-P490 WeakPolarHBondContact O-CG 3.37Å; L488-P490 VanDerWaalsContact C-N 3.35Å |
| 491 | N | 84.5 | Confident | 85.6 | Confident | 139 Ų | 139 | 55.3 Ų | 55.3 | 74% | 0.743 | 29% | 0.291 | S | S | * | . | G | 310 helix | trans | -102.6 | -0.9 | -177.8 | -60.7 | -36.4 | 0 | 0 | 0 | 113.3 | K487 L488 I489 | K487-N491 PolarHBondContact O-ND2 2.96Å; L488-N491 PolarHBondContact O-N 3.3Å; I489-N491 PolarHBondContact O-N 2.93Å |
| 492 | L | 84.8 | Confident | 85.2 | Confident | 37 Ų | 37 | 56.7 Ų | 56.7 | 19% | 0.194 | 30% | 0.299 | C | S | . | . | trans | -108.1 | 136.4 | -175.7 | -67.5 | 170.2 | 0 | 0 | 0 | 110.3 | Y459 I489 M500 | Y459-L492 HydrophobicContact CE1-CD2 3.85Å; I489-L492 PolarHBondContact O-N 3.49Å; I489-L492 VanDerWaalsContact O-N 3.12Å; L492-M500 HydrophobicContact CD1-CB 4.16Å; L492-M500 HydrophobicContact CD1-CE 4.08Å; L492-M500 HydrophobicContact CD1-CG 4.28Å | ||
| 493 | D | 84.2 | Confident | 85 | Confident | 112 Ų | 112 | 52 Ų | 52 | 60% | 0.599 | 29% | 0.289 | S | S | * | . | trans | -75 | 173 | 163.5 | 67.3 | -6.9 | 0 | 0 | 0 | 110.3 | A495 G496 F497 | D493-A495 VanDerWaalsContact C-N 3.3Å; D493-A495 PolarHBondContact O-N 3.35Å; D493-G496 PolarHBondContact O-N 3.13Å; D493-G496 VanDerWaalsContact O-N 3.14Å; D493-G496 VanDerWaalsContact OD1-CA 3.29Å; D493-G496 WeakPolarHBondContact OD1-CA 3.47Å; D493-G496 PolarHBondContact OD1-N 3.17Å; D493-F497 PolarHBondContact O-N 3.16Å | ||
| 494 | H | 77.9 | Confident | 85.1 | Confident | 103 Ų | 103 | 51.4 Ų | 51.4 | 48% | 0.477 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -60.4 | -39 | -175.2 | -166.8 | 71.4 | 0 | 0 | 0 | 113.3 | W421 F497 K498 | W421-H494 AromaticContact CD2-CE1 3.95Å; W421-H494 AromaticContact CD2-NE2 3.47Å; W421-H494 AromaticContact CE2-NE2 3.74Å; W421-H494 AromaticContact CE3-CE1 3.13Å; W421-H494 AromaticContact CE3-NE2 3.09Å; W421-H494 AromaticContact CH2-CE1 3.71Å; W421-H494 AromaticContact CH2-NE2 3.26Å; W421-H494 VanDerWaalsContact CH2-NE2 3.26Å; W421-H494 WeakPolarHBondContact CH2-NE2 3.38Å; W421-H494 AromaticContact CZ2-NE2 3.64Å; W421-H494 AromaticContact CZ3-CE1 3Å; W421-H494 WeakPolarHBondContact CZ3-CE1 3.34Å; W421-H494 AromaticContact CZ3-NE2 3Å; W421-H494 WeakPolarHBondContact CZ3-NE2 3.38Å; H494-F497 PolarHBondContact O-N 3.35Å; H494-K498 PolarHBondContact O-N 3.37Å |
| 495 | A | 79.2 | Confident | 85 | Confident | 61 Ų | 61 | 51.8 Ų | 51.8 | 50% | 0.504 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -68.2 | -41.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | D493 K498 T499 | D493-A495 VanDerWaalsContact C-N 3.3Å; D493-A495 PolarHBondContact O-N 3.35Å; A495-K498 PolarHBondContact O-N 2.9Å; A495-T499 WeakPolarHBondContact O-CB 3.28Å; A495-T499 PolarHBondContact O-N 3.37Å; A495-T499 PolarHBondContact O-OG1 2.62Å |
| 496 | G | 84.3 | Confident | 84.7 | Confident | 15 Ų | 15 | 52.1 Ų | 52.1 | 16% | 0.155 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.1 | -40.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | D493 T499 M500 | D493-G496 PolarHBondContact O-N 3.13Å; D493-G496 VanDerWaalsContact O-N 3.14Å; D493-G496 VanDerWaalsContact OD1-CA 3.29Å; D493-G496 WeakPolarHBondContact OD1-CA 3.47Å; D493-G496 PolarHBondContact OD1-N 3.17Å; G496-T499 PolarHBondContact O-N 3.5Å; G496-M500 VanDerWaalsContact O-CB 3.26Å; G496-M500 WeakPolarHBondContact O-CB 3.28Å; G496-M500 PolarHBondContact O-N 2.65Å |
| 497 | F | 84.6 | Confident | 84.6 | Confident | 11 Ų | 11 | 48.5 Ų | 48.5 | 5% | 0.048 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59.9 | -50.8 | 174.4 | 176.3 | -112.1 | 0 | 0 | 0 | 111.9 | V426 Q429 L430 I489 D493 H494 T499 M500 L501 | V426-F497 HydrophobicContact CG1-CD2 4.35Å; V426-F497 HydrophobicContact CG1-CE1 4.16Å; V426-F497 HydrophobicContact CG1-CE2 3.94Å; V426-F497 HydrophobicContact CG1-CZ 3.82Å; Q429-F497 HydrophobicContact CB-CE1 4.33Å; L430-F497 HydrophobicContact CB-CZ 4.48Å; I489-F497 HydrophobicContact CD1-CD2 4.14Å; I489-F497 HydrophobicContact CD1-CE2 3.63Å; I489-F497 HydrophobicContact CG1-CD2 3.94Å; I489-F497 HydrophobicContact CG1-CE2 3.96Å; D493-F497 PolarHBondContact O-N 3.16Å; H494-F497 PolarHBondContact O-N 3.35Å; F497-T499 VanDerWaalsContact C-N 3.33Å; F497-T499 PolarHBondContact O-N 3.06Å; F497-M500 HydrophobicContact CD2-CE 3.93Å; F497-M500 HydrophobicContact CE2-CE 4.18Å; F497-M500 WeakPolarHBondContact O-CB 3.39Å; F497-M500 PolarHBondContact O-N 2.74Å; F497-L501 HydrophobicContact CD1-CD1 4.35Å; F497-L501 HydrophobicContact CE1-CD1 3.7Å; F497-L501 HydrophobicContact CE1-CG 4.47Å; F497-L501 HydrophobicContact CE2-CD1 4.09Å; F497-L501 HydrophobicContact CE2-CD2 4.29Å; F497-L501 HydrophobicContact CE2-CG 4.16Å; F497-L501 HydrophobicContact CZ-CD1 3.57Å; F497-L501 HydrophobicContact CZ-CD2 4.48Å; F497-L501 HydrophobicContact CZ-CG 4.15Å; F497-L501 WeakPolarHBondContact O-CG 3.41Å; F497-L501 PolarHBondContact O-N 3.09Å |
| 498 | K | 82.5 | Confident | 84.5 | Confident | 43 Ų | 43 | 43.8 Ų | 43.8 | 19% | 0.187 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.4 | -40.9 | 177.9 | -171.1 | 175.4 | -175.8 | 175 | 0 | 112 | L408 W421 H494 A495 M500 L501 N502 | L408-K498 HydrophobicContact CD2-CG 4.44Å; W421-K498 HydrophobicContact CH2-CD 4.41Å; W421-K498 HydrophobicContact CZ2-CD 4.46Å; H494-K498 PolarHBondContact O-N 3.37Å; A495-K498 PolarHBondContact O-N 2.9Å; K498-M500 VanDerWaalsContact C-N 3.34Å; K498-L501 PolarHBondContact O-N 2.95Å; K498-N502 WeakPolarHBondContact O-CB 3.13Å; K498-N502 PolarHBondContact O-N 2.93Å |
| 499 | T | 84.6 | Confident | 84.2 | Confident | 80 Ų | 80 | 43.9 Ų | 43.9 | 49% | 0.491 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -64.9 | -39.9 | 177.6 | -54.6 | 0 | 0 | 0 | 0 | 111.2 | A495 G496 F497 N502 T503 | A495-T499 WeakPolarHBondContact O-CB 3.28Å; A495-T499 PolarHBondContact O-N 3.37Å; A495-T499 PolarHBondContact O-OG1 2.62Å; G496-T499 PolarHBondContact O-N 3.5Å; F497-T499 VanDerWaalsContact C-N 3.33Å; F497-T499 PolarHBondContact O-N 3.06Å; T499-N502 PolarHBondContact O-N 3.34Å; T499-T503 WeakPolarHBondContact O-CB 3.36Å; T499-T503 PolarHBondContact O-N 3.48Å; T499-T503 PolarHBondContact O-OG1 3.48Å |
| 500 | M | 88.9 | Confident | 83.7 | Confident | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.005 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.8 | -45.7 | 175.1 | -178.8 | -87.4 | -71.1 | 0 | 0 | 111.4 | I455 Y459 L484 I489 L492 G496 F497 K498 T503 F504 | I455-M500 HydrophobicContact CG2-CG 4.3Å; Y459-M500 HydrophobicContact CE2-CG 4.05Å; L484-M500 HydrophobicContact CD2-CE 4.24Å; L484-M500 HydrophobicContact CD2-SD 4.13Å; I489-M500 HydrophobicContact CG1-CE 4.33Å; L492-M500 HydrophobicContact CD1-CB 4.16Å; L492-M500 HydrophobicContact CD1-CE 4.08Å; L492-M500 HydrophobicContact CD1-CG 4.28Å; G496-M500 VanDerWaalsContact O-CB 3.26Å; G496-M500 WeakPolarHBondContact O-CB 3.28Å; G496-M500 PolarHBondContact O-N 2.65Å; F497-M500 HydrophobicContact CD2-CE 3.93Å; F497-M500 HydrophobicContact CE2-CE 4.18Å; F497-M500 WeakPolarHBondContact O-CB 3.39Å; F497-M500 PolarHBondContact O-N 2.74Å; K498-M500 VanDerWaalsContact C-N 3.34Å; M500-T503 PolarHBondContact O-N 3.22Å; M500-F504 WeakPolarHBondContact O-CB 3.43Å; M500-F504 PolarHBondContact O-N 2.88Å |
| 501 | L | 88.4 | Confident | 83.5 | Confident | 5 Ų | 5 | 46.6 Ų | 46.6 | 3% | 0.026 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.5 | -42.5 | 175.9 | -67.4 | -172.4 | 0 | 0 | 0 | 112.6 | L408 L430 F433 F497 K498 T503 F504 Y505 | L408-L501 HydrophobicContact CD2-CB 4.22Å; L430-L501 HydrophobicContact CD1-CD2 3.98Å; F433-L501 HydrophobicContact CB-CD1 4.16Å; F433-L501 HydrophobicContact CB-CD2 4.45Å; F433-L501 HydrophobicContact CD1-CD2 3.79Å; F433-L501 HydrophobicContact CD2-CB 3.8Å; F433-L501 HydrophobicContact CD2-CD1 3.92Å; F433-L501 HydrophobicContact CD2-CD2 3.87Å; F433-L501 HydrophobicContact CD2-CG 4.07Å; F433-L501 HydrophobicContact CE1-CD2 3.99Å; F433-L501 HydrophobicContact CE2-CB 3.79Å; F433-L501 HydrophobicContact CE2-CD2 4.14Å; F433-L501 HydrophobicContact CE2-CG 4.41Å; F433-L501 VanDerWaalsContact CE2-O 3.3Å; F433-L501 WeakPolarHBondContact CE2-O 3.4Å; F433-L501 HydrophobicContact CG-CD1 4.09Å; F433-L501 HydrophobicContact CG-CD2 3.78Å; F433-L501 HydrophobicContact CG-CG 4.36Å; F433-L501 HydrophobicContact CZ-CB 4.45Å; F433-L501 HydrophobicContact CZ-CD2 4.21Å; F497-L501 HydrophobicContact CD1-CD1 4.35Å; F497-L501 HydrophobicContact CE1-CD1 3.7Å; F497-L501 HydrophobicContact CE1-CG 4.47Å; F497-L501 HydrophobicContact CE2-CD1 4.09Å; F497-L501 HydrophobicContact CE2-CD2 4.29Å; F497-L501 HydrophobicContact CE2-CG 4.16Å; F497-L501 HydrophobicContact CZ-CD1 3.57Å; F497-L501 HydrophobicContact CZ-CD2 4.48Å; F497-L501 HydrophobicContact CZ-CG 4.15Å; F497-L501 WeakPolarHBondContact O-CG 3.41Å; F497-L501 PolarHBondContact O-N 3.09Å; K498-L501 PolarHBondContact O-N 2.95Å; L501-T503 VanDerWaalsContact C-N 3.34Å; L501-T503 PolarHBondContact O-N 3.16Å; L501-F504 WeakPolarHBondContact O-CB 3.4Å; L501-F504 PolarHBondContact O-N 3.35Å; L501-Y505 WeakPolarHBondContact O-CB 3.11Å; L501-Y505 PolarHBondContact O-N 3.42Å |
| 502 | N | 84.1 | Confident | 83.1 | Confident | 55 Ų | 55 | 40.2 Ų | 40.2 | 29% | 0.294 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -59.6 | -45.9 | 173.7 | -84.9 | -20.7 | 0 | 0 | 0 | 111.7 | L408 K498 T499 F504 Y505 A506 | L408-N502 WeakPolarHBondContact CB-OD1 3.35Å; L408-N502 WeakPolarHBondContact CD1-OD1 3.22Å; L408-N502 VanDerWaalsContact CD2-OD1 3.29Å; L408-N502 WeakPolarHBondContact CD2-OD1 3.3Å; L408-N502 WeakPolarHBondContact CG-OD1 3.47Å; K498-N502 WeakPolarHBondContact O-CB 3.13Å; K498-N502 PolarHBondContact O-N 2.93Å; T499-N502 PolarHBondContact O-N 3.34Å; N502-F504 VanDerWaalsContact C-N 3.31Å; N502-F504 PolarHBondContact O-N 2.97Å; N502-Y505 PolarHBondContact O-N 3.26Å; N502-A506 WeakPolarHBondContact O-CB 3.27Å; N502-A506 PolarHBondContact O-N 3.02Å |
| 503 | T | 86 | Confident | 82.2 | Confident | 64 Ų | 64 | 39.3 Ų | 39.3 | 39% | 0.393 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -64.4 | -38.9 | 177.9 | -52.9 | 0 | 0 | 0 | 0 | 110.5 | T499 M500 L501 T507 | T499-T503 WeakPolarHBondContact O-CB 3.36Å; T499-T503 PolarHBondContact O-N 3.48Å; T499-T503 PolarHBondContact O-OG1 3.48Å; M500-T503 PolarHBondContact O-N 3.22Å; L501-T503 VanDerWaalsContact C-N 3.34Å; L501-T503 PolarHBondContact O-N 3.16Å; T503-T507 HydrophobicContact CG2-CG2 4.23Å; T503-T507 WeakPolarHBondContact O-CB 3.49Å; T503-T507 VanDerWaalsContact O-CG2 3.26Å; T503-T507 WeakPolarHBondContact O-CG2 3.48Å; T503-T507 PolarHBondContact O-N 2.83Å; T503-T507 PolarHBondContact O-OG1 3.47Å |
| 504 | F | 90.3 | Very high | 81.4 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.3 | -48.4 | 176.4 | -165.5 | -176.8 | 0 | 0 | 0 | 111.7 | F433 L434 L437 I448 A451 F452 I455 I480 L484 M500 L501 N502 T507 A508 | F433-F504 HydrophobicContact CE1-CB 4.44Å; F433-F504 AromaticContact CE1-CD1 3.46Å; F433-F504 HydrophobicContact CE1-CD1 3.46Å; F433-F504 VanDerWaalsContact CE1-CD1 3.46Å; F433-F504 AromaticContact CE1-CE1 3.94Å; F433-F504 HydrophobicContact CE1-CE1 3.94Å; F433-F504 HydrophobicContact CE1-CG 4.17Å; F433-F504 HydrophobicContact CZ-CB 3.92Å; F433-F504 AromaticContact CZ-CD1 3.81Å; F433-F504 HydrophobicContact CZ-CD1 3.81Å; F433-F504 HydrophobicContact CZ-CG 4.06Å; L434-F504 HydrophobicContact CD2-CE1 4.36Å; L437-F504 HydrophobicContact CD2-CD1 4.32Å; L437-F504 HydrophobicContact CD2-CE1 3.7Å; L437-F504 HydrophobicContact CD2-CE2 4.04Å; L437-F504 HydrophobicContact CD2-CZ 3.53Å; I448-F504 HydrophobicContact CG2-CE2 4.43Å; I448-F504 HydrophobicContact CG2-CZ 4.11Å; A451-F504 HydrophobicContact CB-CD2 3.8Å; A451-F504 HydrophobicContact CB-CE2 3.76Å; F452-F504 HydrophobicContact CB-CE2 3.91Å; F452-F504 HydrophobicContact CB-CZ 3.83Å; F452-F504 HydrophobicContact CD2-CZ 4.33Å; I455-F504 HydrophobicContact CD1-CB 3.14Å; I455-F504 HydrophobicContact CD1-CD1 4.1Å; I455-F504 HydrophobicContact CD1-CD2 3.38Å; I455-F504 HydrophobicContact CD1-CE2 4.31Å; I455-F504 HydrophobicContact CD1-CG 3.27Å; I480-F504 HydrophobicContact CD1-CZ 4.48Å; I480-F504 HydrophobicContact CG2-CE1 4.02Å; I480-F504 HydrophobicContact CG2-CZ 4.26Å; L484-F504 HydrophobicContact CD1-CD1 4.44Å; L484-F504 HydrophobicContact CD1-CE1 4.19Å; M500-F504 WeakPolarHBondContact O-CB 3.43Å; M500-F504 PolarHBondContact O-N 2.88Å; L501-F504 WeakPolarHBondContact O-CB 3.4Å; L501-F504 PolarHBondContact O-N 3.35Å; N502-F504 VanDerWaalsContact C-N 3.31Å; N502-F504 PolarHBondContact O-N 2.97Å; F504-T507 PolarHBondContact O-OG1 3.34Å; F504-A508 VanDerWaalsContact O-CB 3.24Å; F504-A508 WeakPolarHBondContact O-CB 3.41Å; F504-A508 PolarHBondContact O-N 2.88Å |
| 505 | Y | 87.3 | Confident | 80.9 | Confident | 7 Ų | 7 | 32.6 Ų | 32.6 | 3% | 0.027 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -65.4 | -45.3 | -179.4 | -166.6 | -100 | 0 | 0 | 0 | 111.8 | W401 R403 H404 P405 F433 L437 L443 L501 N502 A508 I509 | W401-Y505 PolarHBondContact O-OH 3.05Å; R403-Y505 PolarHBondContact O-OH 2.96Å; R403-Y505 VanDerWaalsContact O-OH 3.04Å; H404-Y505 AromaticContact CE1-CD1 3.88Å; H404-Y505 AromaticContact ND1-CD1 3.34Å; H404-Y505 VanDerWaalsContact ND1-CD1 3.34Å; H404-Y505 WeakPolarHBondContact ND1-CD1 3.27Å; H404-Y505 AromaticContact ND1-CE1 3.64Å; P405-Y505 HydrophobicContact CG-CD2 4.32Å; P405-Y505 HydrophobicContact CG-CE2 4.23Å; F433-Y505 HydrophobicContact CE2-CD2 4.5Å; L437-Y505 HydrophobicContact CD1-CD2 3.87Å; L437-Y505 HydrophobicContact CD1-CE2 4.37Å; L443-Y505 HydrophobicContact CD1-CE2 4.43Å; L501-Y505 WeakPolarHBondContact O-CB 3.11Å; L501-Y505 PolarHBondContact O-N 3.42Å; N502-Y505 PolarHBondContact O-N 3.26Å; Y505-A508 PolarHBondContact O-N 2.65Å; Y505-I509 HydrophobicContact CD1-CD1 3.61Å; Y505-I509 HydrophobicContact CD1-CG1 4.39Å; Y505-I509 HydrophobicContact CE1-CD1 3.3Å; Y505-I509 HydrophobicContact CE1-CG1 4.18Å; Y505-I509 WeakPolarHBondContact O-CG1 3.5Å; Y505-I509 PolarHBondContact O-N 3.47Å |
| 506 | A | 81.8 | Confident | 80.1 | Confident | 38 Ų | 38 | 30.1 Ų | 30.1 | 31% | 0.314 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -61.2 | -48.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | N502 A508 I509 D510 | N502-A506 WeakPolarHBondContact O-CB 3.27Å; N502-A506 PolarHBondContact O-N 3.02Å; A506-A508 VanDerWaalsContact C-N 3.3Å; A506-A508 PolarHBondContact O-N 3.32Å; A506-I509 WeakPolarHBondContact O-CB 3.5Å; A506-I509 PolarHBondContact O-N 2.83Å; A506-I509 VanDerWaalsContact O-N 3.11Å; A506-D510 VanDerWaalsContact O-CG 3.32Å; A506-D510 PolarHBondContact O-N 2.75Å |
| 507 | T | 83.2 | Confident | 79.1 | Confident | 29 Ų | 29 | 31.9 Ų | 31.9 | 18% | 0.178 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.9 | -35.2 | 176.7 | 52 | 0 | 0 | 0 | 0 | 112.2 | A451 T503 F504 I509 D510 Y511 | A451-T507 WeakPolarHBondContact CB-OG1 3.32Å; T503-T507 HydrophobicContact CG2-CG2 4.23Å; T503-T507 WeakPolarHBondContact O-CB 3.49Å; T503-T507 VanDerWaalsContact O-CG2 3.26Å; T503-T507 WeakPolarHBondContact O-CG2 3.48Å; T503-T507 PolarHBondContact O-N 2.83Å; T503-T507 PolarHBondContact O-OG1 3.47Å; F504-T507 PolarHBondContact O-OG1 3.34Å; T507-I509 VanDerWaalsContact C-N 3.35Å; T507-D510 PolarHBondContact O-N 3.02Å; T507-Y511 WeakPolarHBondContact O-CD2 3.38Å; T507-Y511 PolarHBondContact O-N 2.94Å |
| 508 | A | 84.2 | Confident | 78.1 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -65.6 | -38.2 | 174 | 0 | 0 | 0 | 0 | 0 | 111.7 | L437 L443 A447 A451 F504 Y505 A506 H512 | L437-A508 HydrophobicContact CD1-CB 4.09Å; L443-A508 HydrophobicContact CD1-CB 4.07Å; A447-A508 WeakPolarHBondContact CB-O 3.32Å; A451-A508 HydrophobicContact CB-CB 3.77Å; F504-A508 VanDerWaalsContact O-CB 3.24Å; F504-A508 WeakPolarHBondContact O-CB 3.41Å; F504-A508 PolarHBondContact O-N 2.88Å; Y505-A508 PolarHBondContact O-N 2.65Å; A506-A508 VanDerWaalsContact C-N 3.3Å; A506-A508 PolarHBondContact O-N 3.32Å; A508-H512 WeakPolarHBondContact O-CB 3.18Å; A508-H512 PolarHBondContact O-N 3.07Å |
| 509 | I | 78.3 | Confident | 77.1 | Confident | 7 Ų | 7 | 34.2 Ų | 34.2 | 4% | 0.036 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.1 | -48.6 | 171.3 | -71 | 169.8 | 0 | 0 | 0 | 110.5 | W401 Y402 L443 Y505 A506 T507 Y511 H512 E513 | W401-I509 HydrophobicContact CZ3-CG2 4.33Å; W401-I509 WeakPolarHBondContact O-CD1 3.16Å; W401-I509 WeakPolarHBondContact O-CG1 3.23Å; Y402-I509 HydrophobicContact CD2-CG2 3.97Å; Y402-I509 HydrophobicContact CE2-CG2 4.23Å; L443-I509 HydrophobicContact CD2-CG1 4.5Å; Y505-I509 HydrophobicContact CD1-CD1 3.61Å; Y505-I509 HydrophobicContact CD1-CG1 4.39Å; Y505-I509 HydrophobicContact CE1-CD1 3.3Å; Y505-I509 HydrophobicContact CE1-CG1 4.18Å; Y505-I509 WeakPolarHBondContact O-CG1 3.5Å; Y505-I509 PolarHBondContact O-N 3.47Å; A506-I509 WeakPolarHBondContact O-CB 3.5Å; A506-I509 PolarHBondContact O-N 2.83Å; A506-I509 VanDerWaalsContact O-N 3.11Å; T507-I509 VanDerWaalsContact C-N 3.35Å; I509-Y511 PolarHBondContact O-N 2.93Å; I509-H512 CarbonylContact O-C 3.54Å; I509-H512 VanDerWaalsContact O-CA 3.3Å; I509-H512 WeakPolarHBondContact O-CA 3.33Å; I509-H512 WeakPolarHBondContact O-CB 3.05Å; I509-H512 PolarHBondContact O-N 3.4Å; I509-E513 HydrophobicContact CG2-CG 4.1Å; I509-E513 WeakPolarHBondContact CG2-OE1 3.34Å; I509-E513 WeakPolarHBondContact O-CG 3.18Å; I509-E513 PolarHBondContact O-N 3.06Å |
| 510 | D | 74.5 | Confident | 76.1 | Confident | 92 Ų | 92 | 31.3 Ų | 31.3 | 49% | 0.492 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -59.1 | -47.3 | -178.2 | -67.1 | -22.9 | 0 | 0 | 0 | 111.8 | A506 T507 H512 H514 | A506-D510 VanDerWaalsContact O-CG 3.32Å; A506-D510 PolarHBondContact O-N 2.75Å; T507-D510 PolarHBondContact O-N 3.02Å; D510-H512 PolarHBondContact O-N 3.17Å; D510-H514 VanDerWaalsContact O-CB 3.26Å; D510-H514 WeakPolarHBondContact O-CB 3.38Å; D510-H514 PolarHBondContact O-N 3.41Å |
| 511 | Y | 78.9 | Confident | 74.9 | Confident | 80 Ų | 80 | 31.9 Ų | 31.9 | 31% | 0.314 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -61 | -40.2 | 173.1 | -81 | -66.1 | 0 | 0 | 0 | 110.6 | N450 A451 S454 T507 I509 H514 G515 W555 | N450-Y511 HydrophobicContact CB-CD1 3.77Å; N450-Y511 HydrophobicContact CB-CD2 3.81Å; N450-Y511 HydrophobicContact CB-CE1 3.74Å; N450-Y511 HydrophobicContact CB-CE2 3.79Å; N450-Y511 HydrophobicContact CB-CG 3.82Å; N450-Y511 WeakPolarHBondContact O-CE2 3.3Å; A451-Y511 HydrophobicContact CB-CD2 4.06Å; S454-Y511 VanDerWaalsContact OG-CE2 3.27Å; S454-Y511 WeakPolarHBondContact OG-CE2 3.24Å; S454-Y511 PolarHBondContact OG-OH 2.9Å; T507-Y511 WeakPolarHBondContact O-CD2 3.38Å; T507-Y511 PolarHBondContact O-N 2.94Å; I509-Y511 PolarHBondContact O-N 2.93Å; Y511-H514 PolarHBondContact O-N 2.96Å; Y511-G515 PolarHBondContact O-N 3.27Å; Y511-W555 VanDerWaalsContact C-CH2 3.48Å; Y511-W555 WeakPolarHBondContact O-CH2 3.47Å; Y511-W555 WeakPolarHBondContact O-CZ2 3.34Å |
| 512 | H | 76.4 | Confident | 73.7 | Confident | 4 Ų | 4 | 36.1 Ų | 36.1 | 2% | 0.019 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.9 | -50.8 | 179.9 | -167.2 | 65.7 | 0 | 0 | 0 | 112.9 | W401 L443 S444 A447 A508 I509 D510 H514 G515 L516 W555 | W401-H512 AromaticContact CD2-CD2 3.96Å; L443-H512 HydrophobicContact CD2-CB 3.71Å; S444-H512 PolarHBondContact N-CE1 3.1Å; S444-H512 PolarHBondContact N-ND1 3.49Å; A447-H512 HydrophobicContact CB-CB 3.91Å; A508-H512 WeakPolarHBondContact O-CB 3.18Å; A508-H512 PolarHBondContact O-N 3.07Å; I509-H512 CarbonylContact O-C 3.54Å; I509-H512 VanDerWaalsContact O-CA 3.3Å; I509-H512 WeakPolarHBondContact O-CA 3.33Å; I509-H512 WeakPolarHBondContact O-CB 3.05Å; I509-H512 PolarHBondContact O-N 3.4Å; D510-H512 PolarHBondContact O-N 3.17Å; H512-H514 VanDerWaalsContact C-N 3.35Å; H512-H514 PolarHBondContact O-N 3.41Å; H512-G515 WeakPolarHBondContact O-CA 3.48Å; H512-G515 PolarHBondContact O-N 2.98Å; H512-G515 VanDerWaalsContact O-N 3.09Å; H512-L516 WeakPolarHBondContact O-CG 3.4Å; H512-L516 PolarHBondContact O-N 3.45Å; H512-W555 VanDerWaalsContact CA-CZ3 3.45Å; H512-W555 HydrophobicContact CB-CZ3 4.28Å; H512-W555 AromaticContact ND1-CZ3 3.58Å; H512-W555 WeakPolarHBondContact O-CZ3 3.4Å |
| 513 | E | 67.1 | Low | 72.6 | Confident | 18 Ų | 18 | 36.7 Ų | 36.7 | 8% | 0.084 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -58.2 | -46 | 175.8 | -70.8 | 178.5 | -169.7 | 0 | 0 | 112.1 | S313 L315 W401 I509 G515 L516 Q517 | S313-E513 PolarHBondContact OG-OE2 3.38Å; L315-E513 HydrophobicContact CD1-CG 3.7Å; L315-E513 WeakPolarHBondContact CD1-OE1 3.25Å; L315-E513 HydrophobicContact CD2-CG 4.24Å; L315-E513 HydrophobicContact CG-CG 3.83Å; L315-E513 WeakPolarHBondContact CG-OE1 3.3Å; W401-E513 HydrophobicContact CH2-CG 4.09Å; W401-E513 HydrophobicContact CZ3-CG 3.81Å; I509-E513 HydrophobicContact CG2-CG 4.1Å; I509-E513 WeakPolarHBondContact CG2-OE1 3.34Å; I509-E513 WeakPolarHBondContact O-CG 3.18Å; I509-E513 PolarHBondContact O-N 3.06Å; E513-G515 PolarHBondContact O-N 3.31Å; E513-L516 WeakPolarHBondContact O-CA 3.28Å; E513-L516 PolarHBondContact O-N 3.44Å; E513-Q517 PolarHBondContact O-N 2.8Å |
| 514 | H | 67.3 | Low | 71.1 | Confident | 74 Ų | 74 | 36.1 Ų | 36.1 | 34% | 0.343 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -61.4 | -31 | 177.7 | -175.6 | -116.9 | 0 | 0 | 0 | 112.3 | D510 Y511 H512 L516 R554 | D510-H514 VanDerWaalsContact O-CB 3.26Å; D510-H514 WeakPolarHBondContact O-CB 3.38Å; D510-H514 PolarHBondContact O-N 3.41Å; Y511-H514 PolarHBondContact O-N 2.96Å; H512-H514 VanDerWaalsContact C-N 3.35Å; H512-H514 PolarHBondContact O-N 3.41Å; H514-L516 VanDerWaalsContact C-N 3.35Å; H514-R554 PolarHBondContact CE1-NH1 3.48Å; H514-R554 PolarHBondContact NE2-NH1 3.3Å |
| 515 | G | 66 | Low | 69.1 | Low | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -69 | -27.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y511 H512 E513 R554 W555 | Y511-G515 PolarHBondContact O-N 3.27Å; H512-G515 WeakPolarHBondContact O-CA 3.48Å; H512-G515 PolarHBondContact O-N 2.98Å; H512-G515 VanDerWaalsContact O-N 3.09Å; E513-G515 PolarHBondContact O-N 3.31Å; G515-R554 CarbonylContact O-C 3.43Å; G515-R554 WeakPolarHBondContact O-CB 3.47Å; G515-R554 PolarHBondContact O-N 3.02Å; G515-W555 VanDerWaalsContact CA-CE2 3.46Å; G515-W555 VanDerWaalsContact CA-CE3 3.45Å; G515-W555 PolarHBondContact O-N 3.3Å |
| 516 | L | 64.2 | Low | 67.1 | Low | 9 Ų | 9 | 40.8 Ų | 40.8 | 5% | 0.047 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -89.6 | -7.1 | 179.6 | -61 | -179.3 | 0 | 0 | 0 | 113.2 | P389 P390 W401 H512 E513 H514 R553 | P389-L516 HydrophobicContact CB-CD1 4.25Å; P390-L516 HydrophobicContact CB-CD2 4.16Å; P390-L516 HydrophobicContact CG-CD2 3.87Å; W401-L516 HydrophobicContact CH2-CD1 4.43Å; W401-L516 HydrophobicContact CZ2-CD1 4.09Å; H512-L516 WeakPolarHBondContact O-CG 3.4Å; H512-L516 PolarHBondContact O-N 3.45Å; E513-L516 WeakPolarHBondContact O-CA 3.28Å; E513-L516 PolarHBondContact O-N 3.44Å; H514-L516 VanDerWaalsContact C-N 3.35Å; L516-R553 VanDerWaalsContact O-CD 3.24Å; L516-R553 WeakPolarHBondContact O-CD 3.35Å; L516-R553 WeakPolarHBondContact O-CG 3.37Å; L516-R553 PolarHBondContact O-NH1 3.5Å |
| 517 | Q | 63.1 | Low | 65.2 | Low | 52 Ų | 52 | 42.8 Ų | 42.8 | 24% | 0.243 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -61.1 | 140.3 | -179.7 | -70.4 | -179.5 | -1 | 0 | 0 | 112.5 | E513 L519 R553 R554 | E513-Q517 PolarHBondContact O-N 2.8Å; Q517-L519 PolarHBondContact O-N 2.72Å; Q517-R553 WeakPolarHBondContact O-CA 3.49Å; Q517-R554 PolarHBondContact O-N 3.07Å |
| 518 | P | 62.6 | Low | 63 | Low | 13 Ų | 13 | 48.6 Ų | 48.6 | 8% | 0.084 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 125.5 | 175 | 27.8 | -32.6 | 0 | 0 | 0 | 109.5 | R215 Y231 V551 I552 | R215-P518 VanDerWaalsContact CZ-O 3.22Å; R215-P518 PolarHBondContact NE-O 2.95Å; R215-P518 PolarHBondContact NH2-O 2.64Å; Y231-P518 HydrophobicContact CE1-CG 4.28Å; P518-V551 HydrophobicContact CB-CG1 3.81Å; P518-I552 CarbonylContact C-O 3.53Å; P518-I552 WeakPolarHBondContact CA-O 3.44Å |
| 519 | L | 61.8 | Low | 60.6 | Low | 91 Ų | 91 | 52.7 Ų | 52.7 | 48% | 0.476 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | -29.7 | 174.9 | -71.1 | -177.3 | 0 | 0 | 0 | 112.1 | Q517 I552 R554 | Q517-L519 PolarHBondContact O-N 2.72Å; L519-I552 PolarHBondContact N-O 3.1Å; L519-R554 VanDerWaalsContact CD1-CA 3.44Å; L519-R554 HydrophobicContact CD1-CB 3.75Å; L519-R554 HydrophobicContact CD1-CG 4.16Å; L519-R554 HydrophobicContact CG-CB 4.14Å |
| 520 | G | 63.4 | Low | 58.4 | Low | 18 Ų | 18 | 57.6 Ų | 57.6 | 19% | 0.186 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -170.3 | 168.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | I552 | G520-I552 PolarHBondContact N-O 2.78Å; G520-I552 PolarHBondContact O-N 3.48Å |
| 521 | L | 65.2 | Low | 56.4 | Low | 14 Ų | 14 | 59.4 Ų | 59.4 | 7% | 0.073 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 131.3 | -177.3 | -57.9 | 175.2 | 0 | 0 | 0 | 109.6 | R215 Y219 W257 V551 | R215-L521 HydrophobicContact CB-CD1 4.36Å; Y219-L521 PolarHBondContact OH-O 3.2Å; W257-L521 HydrophobicContact CH2-CD1 3.67Å; W257-L521 HydrophobicContact CH2-CD2 3.62Å; W257-L521 HydrophobicContact CH2-CG 4.29Å; W257-L521 HydrophobicContact CZ3-CD1 3.48Å; W257-L521 VanDerWaalsContact CZ3-CD1 3.48Å; W257-L521 HydrophobicContact CZ3-CD2 4.34Å; L521-V551 HydrophobicContact CD2-CG1 4.4Å; L521-V551 HydrophobicContact CD2-CG2 4.06Å |
| 522 | L | 62.7 | Low | 54.3 | Low | 93 Ų | 93 | 61.1 Ų | 61.1 | 49% | 0.487 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 133.3 | 172.2 | -68.1 | 177.5 | 0 | 0 | 0 | 110 | I549 I550 I552 | L522-I549 WeakPolarHBondContact O-CA 3.41Å; L522-I550 HydrophobicContact CB-CB 4.31Å; L522-I550 PolarHBondContact N-O 2.84Å; L522-I550 PolarHBondContact O-N 3.14Å; L522-I552 HydrophobicContact CD1-CD1 3.58Å; L522-I552 HydrophobicContact CD1-CG1 4.2Å; L522-I552 HydrophobicContact CD2-CD1 4.45Å; L522-I552 HydrophobicContact CG-CD1 3.62Å; L522-I552 HydrophobicContact CG-CG1 4.32Å |
| 523 | R | 59.8 | Low | 52.1 | Low | 67 Ų | 67 | 66.5 Ų | 66.5 | 25% | 0.253 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 126.8 | 170.4 | -179.2 | 179 | 173.9 | -160.5 | -2.8 | 109.5 | Y219 D547 | Y219-R523 HydrophobicContact CD1-CB 3.91Å; Y219-R523 HydrophobicContact CD2-CB 4.49Å; Y219-R523 HydrophobicContact CE1-CB 3.42Å; Y219-R523 VanDerWaalsContact CE1-CB 3.42Å; Y219-R523 HydrophobicContact CE2-CB 4.07Å; Y219-R523 HydrophobicContact CG-CB 4.41Å; Y219-R523 PolarHBondContact OH-N 3.01Å; R523-D547 IonicContact CZ-OD2 2.78Å; R523-D547 IonicContact NE-OD2 3.09Å; R523-D547 PolarHBondContact NE-OD2 3.47Å; R523-D547 IonicContact NH2-OD2 3.8Å; R523-D547 PolarHBondContact NH2-OD2 3.04Å |
| 524 | L | 55.6 | Low | 50.4 | Low | 52 Ų | 52 | 69 Ų | 69 | 27% | 0.272 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 105.9 | 163 | -81.7 | 160.2 | 0 | 0 | 0 | 107.9 | T548 I550 I559 | L524-T548 PolarHBondContact N-O 3.36Å; L524-T548 PolarHBondContact O-N 2.85Å; L524-I550 HydrophobicContact CD1-CD1 3.36Å; L524-I550 HydrophobicContact CD1-CG1 3.97Å; L524-I550 HydrophobicContact CG-CD1 4.1Å; L524-I559 HydrophobicContact CD1-CD1 4.29Å |
| 525 | S | 47.5 | Very low | 48.7 | Very low | 78 Ų | 78 | 71 Ų | 71 | 55% | 0.545 | 44% | 0.443 | S | S | . | . | trans | -78.5 | 128.2 | 175.3 | 58.8 | 0 | 0 | 0 | 0 | 110.8 | T527 D547 | S525-T527 PolarHBondContact O-N 3.45Å; S525-D547 WeakPolarHBondContact CA-OD1 3.48Å | ||
| 526 | T | 45.9 | Very low | 47 | Very low | 27 Ų | 27 | 76.1 Ų | 76.1 | 17% | 0.166 | 48% | 0.479 | C | S | . | . | trans | -74.9 | 115.9 | 163.1 | 54.2 | 0 | 0 | 0 | 0 | 108.1 | D528 S544 D546 D547 | T526-D528 PolarHBondContact O-N 2.83Å; T526-S544 PolarHBondContact OG1-OG 3.25Å; T526-D546 HydrophobicContact CG2-CB 4.18Å; T526-D547 PolarHBondContact N-OD1 3.43Å; T526-D547 VanDerWaalsContact N-OD1 3.13Å | ||
| 527 | T | 42.1 | Very low | 45.5 | Very low | 80 Ų | 80 | 83.2 Ų | 83.2 | 49% | 0.491 | 52% | 0.522 | S | S | . | . | trans | -62.6 | 128.1 | -172.3 | 44.4 | 0 | 0 | 0 | 0 | 112.6 | S525 T529 | S525-T527 PolarHBondContact O-N 3.45Å; T527-T529 VanDerWaalsContact C-N 3.34Å; T527-T529 PolarHBondContact O-N 2.81Å | ||
| 528 | D | 35.9 | Very low | 43.9 | Very low | 152 Ų | 152 | 85.7 Ų | 85.7 | 81% | 0.813 | 55% | 0.545 | S | S | * | . | trans | -64 | 82.5 | 173.2 | -78.6 | -44.3 | 0 | 0 | 0 | 111.9 | T526 T530 | T526-D528 PolarHBondContact O-N 2.83Å; D528-T530 VanDerWaalsContact C-N 3.28Å; D528-T530 PolarHBondContact O-N 3.34Å | ||
| 529 | T | 34 | Very low | 42.5 | Very low | 86 Ų | 86 | 88 Ų | 88 | 53% | 0.528 | 57% | 0.572 | S | S | . | * | trans | -85.9 | 71.5 | 163.2 | 53.8 | 0 | 0 | 0 | 0 | 109.4 | T527 | T527-T529 VanDerWaalsContact C-N 3.34Å; T527-T529 PolarHBondContact O-N 2.81Å | ||
| 530 | T | 32.8 | Very low | 41.2 | Very low | 109 Ų | 109 | 93.2 Ų | 93.2 | 67% | 0.669 | 59% | 0.591 | S | S | * | * | trans | -127.4 | 82.7 | 159.2 | 52.1 | 0 | 0 | 0 | 0 | 109.8 | D528 | D528-T530 VanDerWaalsContact C-N 3.28Å; D528-T530 PolarHBondContact O-N 3.34Å | ||
| 531 | T | 33.1 | Very low | 39.8 | Very low | 130 Ų | 130 | 95.8 Ų | 95.8 | 80% | 0.798 | 60% | 0.599 | S | S | * | * | trans | -69.3 | 129.4 | 161.9 | 38.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 532 | S | 32.9 | Very low | 38.5 | Very low | 117 Ų | 117 | 102.4 Ų | 102.4 | 82% | 0.818 | 63% | 0.627 | S | S | * | * | trans | 68.1 | 143.4 | 162.9 | 79.8 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 533 | S | 32 | Very low | 37.5 | Very low | 116 Ų | 116 | 100 Ų | 100 | 81% | 0.811 | 62% | 0.618 | S | S | * | * | cis | -166 | 152.5 | 3 | 47.2 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 534 | G | 31.5 | Very low | 36.8 | Very low | 70 Ų | 70 | 99.2 Ų | 99.2 | 72% | 0.722 | 62% | 0.622 | S | S | * | * | trans | 93.1 | 104 | 158 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 535 | S | 29.9 | Very low | 36.2 | Very low | 116 Ų | 116 | 103 Ų | 103 | 81% | 0.811 | 64% | 0.638 | S | S | * | * | trans | 51.9 | 91.9 | 146.4 | 69.8 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 536 | S | 32 | Very low | 36.1 | Very low | 109 Ų | 109 | 103.5 Ų | 103.5 | 76% | 0.762 | 64% | 0.635 | S | S | * | * | 169 | 99.1 | 118.4 | 43.3 | 0 | 0 | 0 | 0 | 107.6 | S538 | S536-S538 VanDerWaalsContact C-N 3.26Å; S536-S538 PolarHBondContact O-N 2.88Å | |||
| 537 | T | 32.7 | Very low | 36.3 | Very low | 157 Ų | 157 | 103.5 Ų | 103.5 | 96% | 0.963 | 63% | 0.634 | S | S | * | * | trans | -67.9 | 83.7 | 172.5 | 42 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 538 | S | 29.5 | Very low | 36.9 | Very low | 104 Ų | 104 | 101.5 Ų | 101.5 | 73% | 0.727 | 62% | 0.621 | S | S | * | * | trans | -153 | 104.3 | 160.7 | 62.2 | 0 | 0 | 0 | 0 | 110.7 | S536 | S536-S538 VanDerWaalsContact C-N 3.26Å; S536-S538 PolarHBondContact O-N 2.88Å | ||
| 539 | G | 32.5 | Very low | 38.1 | Very low | 62 Ų | 62 | 94.8 Ų | 94.8 | 64% | 0.639 | 59% | 0.586 | S | S | * | * | trans | 93 | 27.5 | 137.8 | 0 | 0 | 0 | 0 | 0 | 119.8 | M541 | G539-M541 PolarHBondContact O-N 3.21Š| ||
| 540 | K | 34 | Very low | 39.5 | Very low | 200 Ų | 200 | 91.9 Ų | 91.9 | 87% | 0.87 | 57% | 0.567 | S | S | * | * | trans | -77.8 | 60.7 | 156.8 | -72.4 | -170.7 | 179.2 | -177.8 | 0 | 109.8 | F542 | K540-F542 VanDerWaalsContact C-N 3.35Š| ||
| 541 | M | 34.6 | Very low | 40.9 | Very low | 72 Ų | 72 | 86.9 Ų | 86.9 | 36% | 0.355 | 54% | 0.536 | S | S | . | . | trans | -92.8 | 4.3 | -177.6 | -158.2 | 175.6 | 171 | 0 | 0 | 112.3 | L278 G539 | L278-M541 HydrophobicContact CD2-CE 4.47Å; G539-M541 PolarHBondContact O-N 3.21Å | ||
| 542 | F | 37.4 | Very low | 42.4 | Very low | 153 Ų | 153 | 83.6 Ų | 83.6 | 67% | 0.671 | 51% | 0.513 | S | S | * | . | S | Bend | trans | -107.1 | 137.2 | -178.9 | -63 | -75.9 | 0 | 0 | 0 | 110.3 | K540 | K540-F542 VanDerWaalsContact C-N 3.35Š|
| 543 | P | 41.2 | Very low | 44.1 | Very low | 44 Ų | 44 | 78.8 Ų | 78.8 | 29% | 0.286 | 48% | 0.477 | S | S | . | . | trans | -54 | 142.6 | 164.8 | 24.2 | -31.2 | 0 | 0 | 0 | 109.1 | W259 | W259-P543 HydrophobicContact CZ3-CG 4.48Š| ||
| 544 | S | 45.7 | Very low | 45.5 | Very low | 50 Ų | 50 | 79.7 Ų | 79.7 | 35% | 0.35 | 46% | 0.462 | S | S | . | . | trans | -56.8 | 144.8 | 177.6 | 58.5 | 0 | 0 | 0 | 0 | 109.3 | T526 D546 D547 | T526-S544 PolarHBondContact OG1-OG 3.25Å; S544-D546 PolarHBondContact O-N 2.87Å; S544-D547 PolarHBondContact O-N 3.13Å; S544-D547 VanDerWaalsContact O-N 3.12Å; S544-D547 PolarHBondContact OG-OD1 3.41Å | ||
| 545 | E | 43.4 | Very low | 47 | Very low | 131 Ų | 131 | 77.8 Ų | 77.8 | 61% | 0.612 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -9.7 | 174.1 | -74.3 | -175.9 | 167 | 0 | 0 | 113.1 | ||
| 546 | D | 45.7 | Very low | 48.6 | Very low | 89 Ų | 89 | 72.8 Ų | 72.8 | 48% | 0.476 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | -6.7 | -176.9 | -63.5 | -40.1 | 0 | 0 | 0 | 114.2 | R382 T526 S544 T548 | R382-D546 IonicContact NH1-OD1 2.63Å; T526-D546 HydrophobicContact CG2-CB 4.18Å; S544-D546 PolarHBondContact O-N 2.87Å; D546-T548 PolarHBondContact O-N 3Å; D546-T548 PolarHBondContact O-OG1 3.03Å |
| 547 | D | 48.9 | Very low | 50.2 | Low | 27 Ų | 27 | 69.7 Ų | 69.7 | 14% | 0.144 | 37% | 0.373 | C | S | . | . | P | Polyproline II helix | trans | -66.3 | 119.6 | 176.6 | -82.5 | -18.3 | 0 | 0 | 0 | 111.1 | R523 S525 T526 S544 | R523-D547 IonicContact CZ-OD2 2.78Å; R523-D547 IonicContact NE-OD2 3.09Å; R523-D547 PolarHBondContact NE-OD2 3.47Å; R523-D547 IonicContact NH2-OD2 3.8Å; R523-D547 PolarHBondContact NH2-OD2 3.04Å; S525-D547 WeakPolarHBondContact CA-OD1 3.48Å; T526-D547 PolarHBondContact N-OD1 3.43Å; T526-D547 VanDerWaalsContact N-OD1 3.13Å; S544-D547 PolarHBondContact O-N 3.13Å; S544-D547 VanDerWaalsContact O-N 3.12Å; S544-D547 PolarHBondContact OG-OD1 3.41Å |
| 548 | T | 56.1 | Low | 51.5 | Low | 37 Ų | 37 | 62.2 Ų | 62.2 | 23% | 0.227 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 124 | -175.2 | -38.2 | 0 | 0 | 0 | 0 | 109.9 | L524 D546 I559 L560 | L524-T548 PolarHBondContact N-O 3.36Å; L524-T548 PolarHBondContact O-N 2.85Å; D546-T548 PolarHBondContact O-N 3Å; D546-T548 PolarHBondContact O-OG1 3.03Å; T548-I559 HydrophobicContact CG2-CG1 4.05Å; T548-L560 HydrophobicContact CG2-CB 4.39Å |
| 549 | I | 60.8 | Low | 53.1 | Low | 12 Ų | 12 | 57.6 Ų | 57.6 | 6% | 0.062 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 128.3 | 172.6 | -54.2 | 171.5 | 0 | 0 | 0 | 108.6 | W259 L522 | W259-I549 HydrophobicContact CH2-CD1 3.36Å; W259-I549 HydrophobicContact CH2-CG1 4.25Å; W259-I549 HydrophobicContact CZ2-CD1 3.51Å; L522-I549 WeakPolarHBondContact O-CA 3.41Å |
| 550 | I | 63.6 | Low | 54.2 | Low | 25 Ų | 25 | 56 Ų | 56 | 13% | 0.128 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 125.4 | 168.8 | -61.5 | 173.2 | 0 | 0 | 0 | 108 | L522 L524 F557 I559 | L522-I550 HydrophobicContact CB-CB 4.31Å; L522-I550 PolarHBondContact N-O 2.84Å; L522-I550 PolarHBondContact O-N 3.14Å; L524-I550 HydrophobicContact CD1-CD1 3.36Å; L524-I550 HydrophobicContact CD1-CG1 3.97Å; L524-I550 HydrophobicContact CG-CD1 4.1Å; I550-F557 HydrophobicContact CG2-CB 3.86Å; I550-F557 HydrophobicContact CG2-CD2 4.26Å; I550-F557 HydrophobicContact CG2-CG 4.35Å; I550-I559 HydrophobicContact CD1-CD1 3.95Å; I550-I559 HydrophobicContact CG1-CB 4.43Å; I550-I559 HydrophobicContact CG1-CD1 3.87Å; I550-I559 HydrophobicContact CG1-CG1 4.03Å |
| 551 | V | 61.6 | Low | 55.6 | Low | 4 Ų | 4 | 47.6 Ų | 47.6 | 2% | 0.024 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 113.5 | 171.2 | -178.2 | 0 | 0 | 0 | 0 | 108.3 | P518 L521 R553 F557 S558 | P518-V551 HydrophobicContact CB-CG1 3.81Å; L521-V551 HydrophobicContact CD2-CG1 4.4Å; L521-V551 HydrophobicContact CD2-CG2 4.06Å; V551-R553 HydrophobicContact CG1-CG 4.36Å; V551-F557 VanDerWaalsContact O-CA 3.24Å; V551-F557 WeakPolarHBondContact O-CA 3.45Å; V551-F557 WeakPolarHBondContact O-CB 3.33Å; V551-S558 PolarHBondContact N-O 3.4Å; V551-S558 PolarHBondContact O-N 3.05Å |
| 552 | I | 64.5 | Low | 56.5 | Low | 61 Ų | 61 | 46.7 Ų | 46.7 | 31% | 0.313 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 130.5 | 174 | -59.6 | 167.8 | 0 | 0 | 0 | 108.2 | P518 L519 G520 L522 | P518-I552 CarbonylContact C-O 3.53Å; P518-I552 WeakPolarHBondContact CA-O 3.44Å; L519-I552 PolarHBondContact N-O 3.1Å; G520-I552 PolarHBondContact N-O 2.78Å; G520-I552 PolarHBondContact O-N 3.48Å; L522-I552 HydrophobicContact CD1-CD1 3.58Å; L522-I552 HydrophobicContact CD1-CG1 4.2Å; L522-I552 HydrophobicContact CD2-CD1 4.45Å; L522-I552 HydrophobicContact CG-CD1 3.62Å; L522-I552 HydrophobicContact CG-CG1 4.32Å |
| 553 | R | 68 | Low | 57.4 | Low | 16 Ų | 16 | 40.5 Ų | 40.5 | 6% | 0.06 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 165.5 | 176.4 | -58.5 | 176.2 | -175.6 | -81.5 | -2.2 | 109.9 | A387 F388 L516 Q517 V551 W555 G556 S558 | A387-R553 VanDerWaalsContact C-NH2 3.31Å; A387-R553 PolarHBondContact O-NH2 3.35Å; F388-R553 PolarHBondContact O-NH2 2.87Å; L516-R553 VanDerWaalsContact O-CD 3.24Å; L516-R553 WeakPolarHBondContact O-CD 3.35Å; L516-R553 WeakPolarHBondContact O-CG 3.37Å; L516-R553 PolarHBondContact O-NH1 3.5Å; Q517-R553 WeakPolarHBondContact O-CA 3.49Å; V551-R553 HydrophobicContact CG1-CG 4.36Å; R553-W555 PolarHBondContact O-N 3.36Å; R553-G556 CarbonylContact C-O 3.57Å; R553-G556 WeakPolarHBondContact CA-O 3.35Å; R553-G556 WeakPolarHBondContact CB-O 3.26Å; R553-G556 PolarHBondContact N-O 2.93Å; R553-G556 PolarHBondContact O-N 2.95Å; R553-G556 VanDerWaalsContact O-O 3.05Å; R553-S558 PolarHBondContact NE-OG 3.39Å; R553-S558 VanDerWaalsContact NE-OG 3.16Å |
| 554 | R | 61.8 | Low | 58.3 | Low | 135 Ų | 135 | 39.6 Ų | 39.6 | 51% | 0.509 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -31.9 | -179.8 | -169.2 | 173.5 | -176.1 | 146.6 | -0.7 | 112.8 | H514 G515 Q517 L519 | H514-R554 PolarHBondContact CE1-NH1 3.48Å; H514-R554 PolarHBondContact NE2-NH1 3.3Å; G515-R554 CarbonylContact O-C 3.43Å; G515-R554 WeakPolarHBondContact O-CB 3.47Å; G515-R554 PolarHBondContact O-N 3.02Å; Q517-R554 PolarHBondContact O-N 3.07Å; L519-R554 VanDerWaalsContact CD1-CA 3.44Å; L519-R554 HydrophobicContact CD1-CB 3.75Å; L519-R554 HydrophobicContact CD1-CG 4.16Å; L519-R554 HydrophobicContact CG-CB 4.14Å |
| 555 | W | 64.1 | Low | 59 | Low | 29 Ų | 29 | 41.3 Ų | 41.3 | 11% | 0.11 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -121.4 | 35.1 | 176.4 | -56.6 | -28.3 | 0 | 0 | 0 | 114.2 | A350 H351 S444 F446 A447 Y511 H512 G515 R553 | A350-W555 VanDerWaalsContact CA-O 3.27Å; A350-W555 WeakPolarHBondContact CA-O 3.48Å; H351-W555 HydrophobicContact CB-CB 4.14Å; H351-W555 PolarHBondContact N-O 2.96Å; H351-W555 VanDerWaalsContact N-O 3.12Å; S444-W555 WeakPolarHBondContact OG-CH2 3.22Å; S444-W555 WeakPolarHBondContact OG-CZ3 3.42Å; F446-W555 HydrophobicContact CB-CZ2 4.23Å; A447-W555 HydrophobicContact CB-CH2 3.72Å; A447-W555 HydrophobicContact CB-CZ3 4.05Å; Y511-W555 VanDerWaalsContact C-CH2 3.48Å; Y511-W555 WeakPolarHBondContact O-CH2 3.47Å; Y511-W555 WeakPolarHBondContact O-CZ2 3.34Å; H512-W555 VanDerWaalsContact CA-CZ3 3.45Å; H512-W555 HydrophobicContact CB-CZ3 4.28Å; H512-W555 AromaticContact ND1-CZ3 3.58Å; H512-W555 WeakPolarHBondContact O-CZ3 3.4Å; G515-W555 VanDerWaalsContact CA-CE2 3.46Å; G515-W555 VanDerWaalsContact CA-CE3 3.45Å; G515-W555 PolarHBondContact O-N 3.3Å; R553-W555 PolarHBondContact O-N 3.36Å |
| 556 | G | 62.9 | Low | 59.9 | Low | 12 Ų | 12 | 35.5 Ų | 35.5 | 12% | 0.124 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 158.4 | -168.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 116 | I349 R553 | I349-G556 CarbonylContact O-C 3.51Å; I349-G556 WeakPolarHBondContact O-CA 3.34Å; R553-G556 CarbonylContact C-O 3.57Å; R553-G556 WeakPolarHBondContact CA-O 3.35Å; R553-G556 WeakPolarHBondContact CB-O 3.26Å; R553-G556 PolarHBondContact N-O 2.93Å; R553-G556 PolarHBondContact O-N 2.95Å; R553-G556 VanDerWaalsContact O-O 3.05Å |
| 557 | F | 65.4 | Low | 60.7 | Low | 43 Ų | 43 | 31.4 Ų | 31.4 | 19% | 0.189 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 151.6 | 167.5 | 54.2 | -91.6 | 0 | 0 | 0 | 111.4 | W348 I349 I550 V551 F762 | W348-F557 WeakPolarHBondContact CA-O 3.32Å; I349-F557 HydrophobicContact CB-CE1 4.33Å; I349-F557 HydrophobicContact CB-CE2 4.36Å; I349-F557 HydrophobicContact CB-CZ 4.23Å; I349-F557 HydrophobicContact CD1-CE1 4.38Å; I349-F557 HydrophobicContact CD1-CE2 3.79Å; I349-F557 HydrophobicContact CD1-CZ 3.58Å; I349-F557 HydrophobicContact CG1-CE2 4Å; I349-F557 HydrophobicContact CG1-CZ 4.1Å; I349-F557 PolarHBondContact N-O 2.92Å; I349-F557 PolarHBondContact O-N 3.14Å; I550-F557 HydrophobicContact CG2-CB 3.86Å; I550-F557 HydrophobicContact CG2-CD2 4.26Å; I550-F557 HydrophobicContact CG2-CG 4.35Å; V551-F557 VanDerWaalsContact O-CA 3.24Å; V551-F557 WeakPolarHBondContact O-CA 3.45Å; V551-F557 WeakPolarHBondContact O-CB 3.33Å; F557-F762 HydrophobicContact CE2-CD2 4.32Å |
| 558 | S | 60.6 | Low | 61.3 | Low | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 131.5 | 176.9 | -58.1 | 0 | 0 | 0 | 0 | 109.4 | S386 V551 R553 | S386-S558 VanDerWaalsContact O-CB 3.25Å; S386-S558 WeakPolarHBondContact O-CB 3.29Å; V551-S558 PolarHBondContact N-O 3.4Å; V551-S558 PolarHBondContact O-N 3.05Å; R553-S558 PolarHBondContact NE-OG 3.39Å; R553-S558 VanDerWaalsContact NE-OG 3.16Å |
| 559 | I | 63.3 | Low | 61.6 | Low | 8 Ų | 8 | 29.9 Ų | 29.9 | 4% | 0.041 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 145.2 | 179.7 | -166.3 | 171.7 | 0 | 0 | 0 | 111.1 | W347 L524 T548 I550 F762 | W347-I559 CarbonylContact C-O 3.56Å; W347-I559 WeakPolarHBondContact CA-O 3.3Å; W347-I559 HydrophobicContact CB-CG2 4.06Å; W347-I559 PolarHBondContact N-O 3.01Å; W347-I559 PolarHBondContact O-N 3.41Å; L524-I559 HydrophobicContact CD1-CD1 4.29Å; T548-I559 HydrophobicContact CG2-CG1 4.05Å; I550-I559 HydrophobicContact CD1-CD1 3.95Å; I550-I559 HydrophobicContact CG1-CB 4.43Å; I550-I559 HydrophobicContact CG1-CD1 3.87Å; I550-I559 HydrophobicContact CG1-CG1 4.03Å; I559-F762 HydrophobicContact CG2-CD2 4.41Å; I559-F762 HydrophobicContact CG2-CE2 3.56Å; I559-F762 HydrophobicContact CG2-CZ 3.94Å |
| 560 | L | 54.6 | Low | 61.7 | Low | 28 Ų | 28 | 29.5 Ų | 29.5 | 15% | 0.147 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 118.6 | 172.5 | -162 | 102.4 | 0 | 0 | 0 | 109.6 | R382 I385 T548 | R382-L560 HydrophobicContact CB-CD2 4.1Å; R382-L560 HydrophobicContact CG-CD2 4.22Å; I385-L560 HydrophobicContact CB-CD1 3.99Å; I385-L560 HydrophobicContact CG2-CD1 3.62Å; T548-L560 HydrophobicContact CG2-CB 4.39Å |
| 561 | R | 62.7 | Low | 61.4 | Low | 23 Ų | 23 | 32.9 Ų | 32.9 | 9% | 0.087 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 138.7 | 171.1 | 160.7 | -166.1 | 161.4 | -166.5 | -12.3 | 109.4 | W347 E567 F762 S766 | W347-R561 HydrophobicContact CG-CB 3.99Å; W347-R561 PolarHBondContact NE1-O 3.4Å; R561-E567 IonicContact NH2-OE1 3.48Å; R561-E567 PolarHBondContact NH2-OE1 2.86Å; R561-E567 IonicContact NH2-OE2 3.24Å; R561-E567 PolarHBondContact NH2-OE2 3.23Å; R561-F762 HydrophobicContact CB-CZ 4.32Å; R561-S766 PolarHBondContact NH1-OG 3.12Å; R561-S766 VanDerWaalsContact NH1-OG 3.07Å |
| 562 | H | 54 | Low | 61.2 | Low | 53 Ų | 53 | 33.8 Ų | 33.8 | 25% | 0.245 | 16% | 0.156 | C | C | . | . | P | Polyproline II helix | trans | -75 | 146 | 172.7 | -85.5 | -72.9 | 0 | 0 | 0 | 112.2 | A342 R382 F940 | A342-H562 PolarHBondContact O-CE1 2.66Å; R382-H562 PolarHBondContact NH2-NE2 2.86Å; H562-F940 HydrophobicContact CB-CE2 4.17Å |
| 563 | L | 55.8 | Low | 60.5 | Low | 24 Ų | 24 | 36 Ų | 36 | 13% | 0.126 | 17% | 0.168 | C | C | . | . | P | Polyproline II helix | trans | -68.8 | 146.1 | 170.7 | -68.6 | 174.1 | 0 | 0 | 0 | 110.7 | W347 W368 E567 I568 | W347-L563 HydrophobicContact CZ2-CD2 3.91Å; W368-L563 HydrophobicContact CD2-CD1 4.39Å; W368-L563 HydrophobicContact CD2-CD2 4.04Å; W368-L563 HydrophobicContact CD2-CG 4.47Å; W368-L563 HydrophobicContact CG-CD2 4.14Å; W368-L563 HydrophobicContact CH2-CD1 3.63Å; W368-L563 HydrophobicContact CZ2-CD1 3.45Å; W368-L563 VanDerWaalsContact CZ2-CD1 3.45Å; W368-L563 HydrophobicContact CZ2-CD2 4.46Å; W368-L563 HydrophobicContact CZ2-CG 4.03Å; W368-L563 HydrophobicContact CZ3-CD1 4.23Å; L563-E567 WeakPolarHBondContact CA-OE2 3.39Å; L563-E567 HydrophobicContact CB-CB 4.05Å; L563-E567 HydrophobicContact CD2-CB 3.92Å; L563-E567 HydrophobicContact CG-CB 4.47Å; L563-I568 HydrophobicContact CB-CD1 4.32Å; L563-I568 HydrophobicContact CB-CG1 3.49Å; L563-I568 VanDerWaalsContact CB-CG1 3.49Å; L563-I568 HydrophobicContact CD1-CG1 4.29Å |
| 564 | Q | 60.8 | Low | 59.6 | Low | 25 Ų | 25 | 40.6 Ų | 40.6 | 12% | 0.117 | 19% | 0.193 | C | C | . | . | P | Polyproline II helix | trans | -73.3 | 159.3 | 169.2 | -64.1 | -178.9 | -7.2 | 0 | 0 | 111 | V566 E567 I568 S770 | Q564-V566 VanDerWaalsContact C-N 3.26Å; Q564-V566 PolarHBondContact O-N 3.09Å; Q564-V566 VanDerWaalsContact O-N 3.15Å; Q564-E567 HydrophobicContact CB-CB 4.44Å; Q564-E567 HydrophobicContact CB-CG 4.08Å; Q564-E567 PolarHBondContact N-OE2 2.92Å; Q564-E567 CarbonylContact O-C 3.57Å; Q564-E567 WeakPolarHBondContact O-CA 2.87Å; Q564-E567 WeakPolarHBondContact O-CB 3.17Å; Q564-E567 PolarHBondContact O-N 3.37Å; Q564-I568 WeakPolarHBondContact O-CG1 3.5Å; Q564-I568 PolarHBondContact O-N 2.8Å; Q564-S770 PolarHBondContact OE1-OG 3Å |
| 565 | D | 60 | Low | 58.8 | Low | 86 Ų | 86 | 37.6 Ų | 37.6 | 46% | 0.46 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -53.5 | -40.2 | -177 | -67.1 | -22.5 | 0 | 0 | 0 | 113.7 | I568 L569 I581 | D565-I568 PolarHBondContact O-N 2.96Å; D565-L569 WeakPolarHBondContact O-CB 3.47Å; D565-L569 PolarHBondContact O-N 3.36Å; D565-I581 HydrophobicContact CB-CD1 4.3Å |
| 566 | V | 62.2 | Low | 58.1 | Low | 9 Ų | 9 | 37.9 Ų | 37.9 | 6% | 0.055 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -67.7 | -41.3 | 176 | -169.7 | 0 | 0 | 0 | 0 | 111.8 | Q564 L569 L570 L686 L687 R774 F777 | Q564-V566 VanDerWaalsContact C-N 3.26Å; Q564-V566 PolarHBondContact O-N 3.09Å; Q564-V566 VanDerWaalsContact O-N 3.15Å; V566-L569 PolarHBondContact O-N 2.99Å; V566-L570 WeakPolarHBondContact O-CB 3.48Å; V566-L570 PolarHBondContact O-N 3.47Å; V566-L686 HydrophobicContact CB-CD2 4.15Å; V566-L686 HydrophobicContact CG1-CD2 4.15Å; V566-L686 HydrophobicContact CG2-CD2 3.7Å; V566-L686 HydrophobicContact CG2-CG 4.16Å; V566-L687 HydrophobicContact CG1-CD2 4.21Å; V566-R774 HydrophobicContact CG1-CG 4.09Å; V566-F777 HydrophobicContact CG1-CD1 3.87Å; V566-F777 HydrophobicContact CG1-CE1 4.35Å |
| 567 | E | 62.5 | Low | 57.2 | Low | 3 Ų | 3 | 41.7 Ų | 41.7 | 1% | 0.014 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65.5 | -40.4 | 177.4 | -61.9 | 168.7 | 175.5 | 0 | 0 | 110.4 | R561 L563 Q564 L570 W571 | R561-E567 IonicContact NH2-OE1 3.48Å; R561-E567 PolarHBondContact NH2-OE1 2.86Å; R561-E567 IonicContact NH2-OE2 3.24Å; R561-E567 PolarHBondContact NH2-OE2 3.23Å; L563-E567 WeakPolarHBondContact CA-OE2 3.39Å; L563-E567 HydrophobicContact CB-CB 4.05Å; L563-E567 HydrophobicContact CD2-CB 3.92Å; L563-E567 HydrophobicContact CG-CB 4.47Å; Q564-E567 HydrophobicContact CB-CB 4.44Å; Q564-E567 HydrophobicContact CB-CG 4.08Å; Q564-E567 PolarHBondContact N-OE2 2.92Å; Q564-E567 CarbonylContact O-C 3.57Å; Q564-E567 WeakPolarHBondContact O-CA 2.87Å; Q564-E567 WeakPolarHBondContact O-CB 3.17Å; Q564-E567 PolarHBondContact O-N 3.37Å; E567-L570 PolarHBondContact O-N 2.83Å; E567-W571 WeakPolarHBondContact O-CB 3.37Å; E567-W571 VanDerWaalsContact O-CD1 3.24Å; E567-W571 PolarHBondContact O-N 3.49Å |
| 568 | I | 61.2 | Low | 56.3 | Low | 24 Ų | 24 | 40.6 Ų | 40.6 | 12% | 0.123 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.4 | -49.5 | 174.3 | -67.4 | 170.5 | 0 | 0 | 0 | 109.9 | L563 Q564 D565 L570 N572 P576 | L563-I568 HydrophobicContact CB-CD1 4.32Å; L563-I568 HydrophobicContact CB-CG1 3.49Å; L563-I568 VanDerWaalsContact CB-CG1 3.49Å; L563-I568 HydrophobicContact CD1-CG1 4.29Å; Q564-I568 WeakPolarHBondContact O-CG1 3.5Å; Q564-I568 PolarHBondContact O-N 2.8Å; D565-I568 PolarHBondContact O-N 2.96Å; I568-L570 VanDerWaalsContact C-N 3.31Å; I568-L570 PolarHBondContact O-N 2.59Å; I568-N572 HydrophobicContact CG2-CB 4.43Å; I568-N572 VanDerWaalsContact O-CB 3.26Å; I568-N572 WeakPolarHBondContact O-CB 3.44Å; I568-N572 PolarHBondContact O-N 2.88Å; I568-P576 HydrophobicContact CG2-CB 3.96Å; I568-P576 HydrophobicContact CG2-CG 4.34Å |
| 569 | L | 63.4 | Low | 55.6 | Low | 8 Ų | 8 | 47.2 Ų | 47.2 | 4% | 0.042 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62 | -40.4 | -178.6 | -168 | 73.4 | 0 | 0 | 0 | 111.7 | D565 V566 P576 T599 R603 L683 L686 F777 | D565-L569 WeakPolarHBondContact O-CB 3.47Å; D565-L569 PolarHBondContact O-N 3.36Å; V566-L569 PolarHBondContact O-N 2.99Å; L569-P576 HydrophobicContact CD1-CG 3.54Å; L569-T599 HydrophobicContact CD1-CG2 3.99Å; L569-T599 HydrophobicContact CD2-CG2 3.61Å; L569-T599 HydrophobicContact CG-CG2 3.57Å; L569-R603 PolarHBondContact O-NH2 3.49Å; L569-L683 HydrophobicContact CD2-CD2 3.53Å; L569-L686 HydrophobicContact CD2-CD2 3.75Å; L569-F777 HydrophobicContact CD2-CE1 4.03Å; L569-F777 HydrophobicContact CD2-CZ 4.15Å |
| 570 | L | 62.4 | Low | 54.7 | Low | 3 Ų | 3 | 56.9 Ų | 56.9 | 2% | 0.016 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -74.2 | -43.3 | -179.7 | -171.5 | 67.7 | 0 | 0 | 0 | 112.7 | V566 E567 I568 R603 L606 F777 | V566-L570 WeakPolarHBondContact O-CB 3.48Å; V566-L570 PolarHBondContact O-N 3.47Å; E567-L570 PolarHBondContact O-N 2.83Å; I568-L570 VanDerWaalsContact C-N 3.31Å; I568-L570 PolarHBondContact O-N 2.59Å; L570-R603 PolarHBondContact O-NE 2.96Å; L570-R603 PolarHBondContact O-NH2 3.31Å; L570-L606 HydrophobicContact CD1-CD1 3.96Å; L570-L606 HydrophobicContact CD2-CD1 4.46Å; L570-F777 HydrophobicContact CD1-CB 3.94Å; L570-F777 HydrophobicContact CD1-CD2 3.78Å; L570-F777 HydrophobicContact CD1-CE2 4.44Å; L570-F777 HydrophobicContact CD1-CG 3.84Å; L570-F777 HydrophobicContact CD2-CB 4.18Å |
| 571 | W | 58.5 | Low | 54.2 | Low | 96 Ų | 96 | 57 Ų | 57 | 36% | 0.364 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -97.1 | -27 | -169.9 | -64.4 | 114 | 0 | 0 | 0 | 114.7 | W368 E567 T773 | W368-W571 HydrophobicContact CZ3-CB 4.36Å; E567-W571 WeakPolarHBondContact O-CB 3.37Å; E567-W571 VanDerWaalsContact O-CD1 3.24Å; E567-W571 PolarHBondContact O-N 3.49Å; W571-T773 HydrophobicContact CZ2-CG2 4.24Å |
| 572 | N | 56.4 | Low | 53.2 | Low | 24 Ų | 24 | 62.8 Ų | 62.8 | 13% | 0.128 | 31% | 0.309 | C | S | . | . | trans | -85 | 136.8 | 179.9 | -74.7 | -5 | 0 | 0 | 0 | 112.6 | E370 I568 I574 R603 | E370-N572 PolarHBondContact OE1-OD1 3.14Å; I568-N572 HydrophobicContact CG2-CB 4.43Å; I568-N572 VanDerWaalsContact O-CB 3.26Å; I568-N572 WeakPolarHBondContact O-CB 3.44Å; I568-N572 PolarHBondContact O-N 2.88Å; N572-I574 PolarHBondContact O-N 2.86Å; N572-R603 PolarHBondContact O-NH1 2.8Å; N572-R603 PolarHBondContact O-NH2 3.15Å | ||
| 573 | N | 49.8 | Very low | 52.6 | Low | 108 Ų | 108 | 61.5 Ų | 61.5 | 58% | 0.578 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -70.4 | -19.5 | 170.3 | -73.2 | -28.9 | 0 | 0 | 0 | 113.3 | R603 | N573-R603 PolarHBondContact OD1-NH1 3.35Š|
| 574 | I | 48.4 | Very low | 52.2 | Low | 112 Ų | 112 | 63.9 Ų | 63.9 | 57% | 0.574 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -90.8 | 122.2 | -176.7 | -54.2 | 169.2 | 0 | 0 | 0 | 107.8 | N572 P576 | N572-I574 PolarHBondContact O-N 2.86Å; I574-P576 WeakPolarHBondContact O-CD 3.44Å; I574-P576 VanDerWaalsContact O-N 3.09Å |
| 575 | P | 46.8 | Very low | 51.5 | Low | 72 Ų | 72 | 70.8 Ų | 70.8 | 47% | 0.468 | 35% | 0.354 | S | S | . | . | P | Polyproline II helix | trans | -56.2 | 120.3 | 176.3 | 24 | -33.1 | 0 | 0 | 0 | 108.4 | V596 | P575-V596 HydrophobicContact CB-CG2 3.52Å; P575-V596 HydrophobicContact CG-CG2 4.49Å |
| 576 | P | 47.5 | Very low | 50.8 | Low | 34 Ų | 34 | 68.9 Ų | 68.9 | 22% | 0.221 | 34% | 0.344 | C | S | . | . | P | Polyproline II helix | trans | -56.3 | 152.7 | 175.3 | 21.8 | -29.4 | 0 | 0 | 0 | 108.4 | I568 L569 I574 I578 | I568-P576 HydrophobicContact CG2-CB 3.96Å; I568-P576 HydrophobicContact CG2-CG 4.34Å; L569-P576 HydrophobicContact CD1-CG 3.54Å; I574-P576 WeakPolarHBondContact O-CD 3.44Å; I574-P576 VanDerWaalsContact O-N 3.09Å; P576-I578 WeakPolarHBondContact O-CG1 3.21Å; P576-I578 PolarHBondContact O-N 2.98Å |
| 577 | I | 44.9 | Very low | 50.3 | Low | 92 Ų | 92 | 77 Ų | 77 | 47% | 0.472 | 39% | 0.387 | S | S | . | . | trans | -62.9 | 86.1 | 174.5 | -59.6 | 164.7 | 0 | 0 | 0 | 107 | D579 R580 | I577-D579 HydrophobicContact CG2-CB 4.03Å; I577-D579 PolarHBondContact O-N 3.08Å; I577-D579 VanDerWaalsContact O-N 3.12Å; I577-R580 PolarHBondContact O-N 3.07Å | ||
| 578 | I | 46.7 | Very low | 49.8 | Very low | 20 Ų | 20 | 80.9 Ų | 80.9 | 10% | 0.103 | 41% | 0.411 | C | S | . | . | G | 310 helix | trans | -59.1 | -24 | -177.8 | -71 | 165.6 | 0 | 0 | 0 | 109.8 | P576 R580 I581 T592 V595 | P576-I578 WeakPolarHBondContact O-CG1 3.21Å; P576-I578 PolarHBondContact O-N 2.98Å; I578-R580 PolarHBondContact O-N 2.94Å; I578-I581 PolarHBondContact O-N 3.3Å; I578-T592 HydrophobicContact CB-CG2 4.15Å; I578-T592 HydrophobicContact CD1-CG2 3.99Å; I578-T592 HydrophobicContact CG2-CG2 4.06Å; I578-V595 HydrophobicContact CD1-CB 4.46Å; I578-V595 HydrophobicContact CD1-CG1 4.34Å |
| 579 | D | 44.7 | Very low | 49.8 | Very low | 140 Ų | 140 | 89.9 Ų | 89.9 | 75% | 0.749 | 45% | 0.449 | S | S | * | . | G | 310 helix | trans | -54.9 | -21.5 | 177.5 | -67.1 | -18.1 | 0 | 0 | 0 | 114.6 | I577 | I577-D579 HydrophobicContact CG2-CB 4.03Å; I577-D579 PolarHBondContact O-N 3.08Å; I577-D579 VanDerWaalsContact O-N 3.12Å |
| 580 | R | 45.5 | Very low | 49.6 | Very low | 211 Ų | 211 | 90.9 Ų | 90.9 | 80% | 0.796 | 46% | 0.456 | S | S | * | . | G | 310 helix | trans | -83.5 | -20.4 | 174.6 | -80.7 | -168.8 | -180 | -167.1 | -1.5 | 114.5 | I577 I578 Q582 | I577-R580 PolarHBondContact O-N 3.07Å; I578-R580 PolarHBondContact O-N 2.94Å; R580-Q582 VanDerWaalsContact C-N 3.32Å; R580-Q582 PolarHBondContact O-N 2.87Å |
| 581 | I | 43.2 | Very low | 50 | Low | 29 Ų | 29 | 94 Ų | 94 | 15% | 0.149 | 47% | 0.472 | C | S | . | . | trans | -96.1 | 67.8 | -177.9 | -49 | 176.5 | 0 | 0 | 0 | 107.7 | D565 I578 S583 Y682 L686 I692 | D565-I581 HydrophobicContact CB-CD1 4.3Å; I578-I581 PolarHBondContact O-N 3.3Å; I581-S583 PolarHBondContact O-N 3.36Å; I581-Y682 WeakPolarHBondContact CB-OH 3.39Å; I581-Y682 HydrophobicContact CG2-CE2 4.49Å; I581-L686 HydrophobicContact CD1-CD1 4.06Å; I581-L686 HydrophobicContact CG2-CD1 4.33Å; I581-I692 HydrophobicContact CG2-CD1 4.26Å | ||
| 582 | Q | 42.8 | Very low | 50.4 | Low | 146 Ų | 146 | 92.5 Ų | 92.5 | 68% | 0.682 | 47% | 0.474 | S | S | * | . | trans | -59.4 | 108.4 | 164.3 | -77.6 | 176.1 | -18.2 | 0 | 0 | 107.5 | R580 K695 | R580-Q582 VanDerWaalsContact C-N 3.32Å; R580-Q582 PolarHBondContact O-N 2.87Å; Q582-K695 PolarHBondContact O-NZ 3.06Å | ||
| 583 | S | 41.9 | Very low | 51.2 | Low | 25 Ų | 25 | 96.1 Ų | 96.1 | 18% | 0.175 | 49% | 0.49 | C | S | . | . | trans | -66.9 | 132.9 | 165.8 | 58.4 | 0 | 0 | 0 | 0 | 107.5 | I581 H585 | I581-S583 PolarHBondContact O-N 3.36Å; S583-H585 PolarHBondContact O-N 2.88Å; S583-H585 VanDerWaalsContact O-N 3.07Å | ||
| 584 | P | 47.4 | Very low | 52.4 | Low | 74 Ų | 74 | 91.6 Ų | 91.6 | 48% | 0.481 | 47% | 0.466 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -8.1 | -175.1 | 21.9 | -30 | 0 | 0 | 0 | 114.3 | ||
| 585 | H | 45.9 | Very low | 53.6 | Low | 170 Ų | 170 | 86.3 Ų | 86.3 | 79% | 0.787 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -136.5 | 15.2 | -165.9 | -62.1 | -51.8 | 0 | 0 | 0 | 116 | S583 | S583-H585 PolarHBondContact O-N 2.88Å; S583-H585 VanDerWaalsContact O-N 3.07Å |
| 586 | L | 44.5 | Very low | 54.8 | Low | 46 Ų | 46 | 83.9 Ų | 83.9 | 24% | 0.241 | 42% | 0.423 | C | S | . | . | trans | -115.8 | 101.6 | 169.3 | -93.8 | 83.8 | 0 | 0 | 0 | 111 | T588 V590 T678 I681 | L586-T588 PolarHBondContact O-N 2.86Å; L586-V590 HydrophobicContact CD2-CG2 3.91Å; L586-T678 HydrophobicContact CD2-CG2 3.3Å; L586-I681 HydrophobicContact CD1-CG2 4.25Å | ||
| 587 | D | 51.6 | Low | 56 | Low | 180 Ų | 180 | 84.9 Ų | 84.9 | 96% | 0.963 | 43% | 0.426 | S | S | * | . | trans | -66.7 | -10.6 | 165.5 | -74.1 | -30.1 | 0 | 0 | 0 | 112.5 | ||||
| 588 | T | 52.8 | Low | 57.6 | Low | 85 Ų | 85 | 80.5 Ų | 80.5 | 52% | 0.521 | 40% | 0.403 | S | S | . | . | S | Bend | trans | -89.7 | 123.4 | 178.4 | 46.8 | 0 | 0 | 0 | 0 | 110.6 | L586 V590 | L586-T588 PolarHBondContact O-N 2.86Å; T588-V590 PolarHBondContact O-N 2.66Å |
| 589 | K | 59.7 | Low | 58.9 | Low | 212 Ų | 212 | 79.8 Ų | 79.8 | 92% | 0.922 | 40% | 0.4 | S | S | * | . | trans | -54.5 | 108 | 172.3 | -76.3 | -177 | 176.8 | 178.4 | 0 | 109.4 | N591 | K589-N591 PolarHBondContact O-N 3.19Š| ||
| 590 | V | 60.5 | Low | 60.3 | Low | 30 Ų | 30 | 75 Ų | 75 | 18% | 0.182 | 38% | 0.376 | C | S | . | . | trans | -64.7 | 125.1 | 174.8 | -176.8 | 0 | 0 | 0 | 0 | 108.1 | L586 T588 T592 V595 T678 Y682 | L586-V590 HydrophobicContact CD2-CG2 3.91Å; T588-V590 PolarHBondContact O-N 2.66Å; V590-T592 PolarHBondContact O-N 3.31Å; V590-V595 HydrophobicContact CG1-CG2 3.58Å; V590-T678 HydrophobicContact CG2-CG2 4.08Å; V590-Y682 HydrophobicContact CG1-CG 4.29Å; V590-Y682 HydrophobicContact CG2-CD2 4.21Å | ||
| 591 | N | 70 | Confident | 61.7 | Low | 67 Ų | 67 | 65.2 Ų | 65.2 | 36% | 0.358 | 34% | 0.34 | S | S | . | . | trans | -68.9 | 101.8 | 171.7 | -176.7 | -1 | 0 | 0 | 0 | 108.6 | K589 Q593 N594 V595 | K589-N591 PolarHBondContact O-N 3.19Å; N591-Q593 PolarHBondContact O-N 3.18Å; N591-Q593 PolarHBondContact OD1-N 2.87Å; N591-N594 HydrophobicContact CB-CB 4.4Å; N591-N594 PolarHBondContact ND2-OD1 3.07Å; N591-N594 VanDerWaalsContact ND2-OD1 3.14Å; N591-N594 PolarHBondContact O-N 3.21Å; N591-N594 VanDerWaalsContact O-N 3.12Å; N591-V595 PolarHBondContact O-N 2.72Å | ||
| 592 | T | 68.3 | Low | 63.5 | Low | 65 Ų | 65 | 63.9 Ų | 63.9 | 40% | 0.399 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -56.1 | -34.4 | -177.6 | 50.8 | 0 | 0 | 0 | 0 | 112.1 | I578 V590 N594 V595 V596 | I578-T592 HydrophobicContact CB-CG2 4.15Å; I578-T592 HydrophobicContact CD1-CG2 3.99Å; I578-T592 HydrophobicContact CG2-CG2 4.06Å; V590-T592 PolarHBondContact O-N 3.31Å; T592-N594 VanDerWaalsContact C-N 3.35Å; T592-N594 PolarHBondContact O-N 2.87Å; T592-V595 PolarHBondContact O-N 2.84Å; T592-V596 VanDerWaalsContact O-CG2 3.3Å; T592-V596 WeakPolarHBondContact O-CG2 3.32Å; T592-V596 PolarHBondContact O-N 3.5Å |
| 593 | Q | 72.3 | Confident | 64.9 | Low | 101 Ų | 101 | 59.1 Ų | 59.1 | 47% | 0.472 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -63 | -42 | 179.7 | -170.3 | 59.2 | 39.1 | 0 | 0 | 111.7 | N591 V595 V596 D597 | N591-Q593 PolarHBondContact O-N 3.18Å; N591-Q593 PolarHBondContact OD1-N 2.87Å; Q593-V595 VanDerWaalsContact C-N 3.3Å; Q593-V595 PolarHBondContact O-N 3.29Å; Q593-V596 WeakPolarHBondContact O-CB 3.43Å; Q593-V596 PolarHBondContact O-N 3.46Å; Q593-V596 VanDerWaalsContact O-N 3.16Å; Q593-D597 PolarHBondContact NE2-OD1 2.84Å; Q593-D597 PolarHBondContact O-N 3.43Å |
| 594 | N | 74.2 | Confident | 66.4 | Low | 13 Ų | 13 | 62.4 Ų | 62.4 | 7% | 0.07 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -65.5 | -35 | 178.9 | -67.7 | 1 | 0 | 0 | 0 | 112.2 | N591 T592 L598 S675 H676 A679 | N591-N594 HydrophobicContact CB-CB 4.4Å; N591-N594 PolarHBondContact ND2-OD1 3.07Å; N591-N594 VanDerWaalsContact ND2-OD1 3.14Å; N591-N594 PolarHBondContact O-N 3.21Å; N591-N594 VanDerWaalsContact O-N 3.12Å; T592-N594 VanDerWaalsContact C-N 3.35Å; T592-N594 PolarHBondContact O-N 2.87Å; N594-L598 VanDerWaalsContact O-CB 3.23Å; N594-L598 WeakPolarHBondContact O-CB 3.25Å; N594-L598 PolarHBondContact O-N 2.98Å; N594-S675 VanDerWaalsContact ND2-CB 3.28Å; N594-S675 WeakPolarHBondContact ND2-CB 3.49Å; N594-S675 PolarHBondContact ND2-O 2.69Å; N594-S675 VanDerWaalsContact ND2-O 3.16Å; N594-S675 PolarHBondContact ND2-OG 3.35Å; N594-H676 PolarHBondContact ND2-N 3.31Å; N594-A679 HydrophobicContact CB-CB 3.89Å |
| 595 | V | 74 | Confident | 67.8 | Low | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64.5 | -44.8 | 174.3 | 177.8 | 0 | 0 | 0 | 0 | 109.8 | I578 V590 N591 T592 Q593 L598 T599 A679 Y682 L683 | I578-V595 HydrophobicContact CD1-CB 4.46Å; I578-V595 HydrophobicContact CD1-CG1 4.34Å; V590-V595 HydrophobicContact CG1-CG2 3.58Å; N591-V595 PolarHBondContact O-N 2.72Å; T592-V595 PolarHBondContact O-N 2.84Å; Q593-V595 VanDerWaalsContact C-N 3.3Å; Q593-V595 PolarHBondContact O-N 3.29Å; V595-L598 PolarHBondContact O-N 3.22Å; V595-T599 HydrophobicContact CG1-CG2 4.42Å; V595-T599 WeakPolarHBondContact O-CG2 3.08Å; V595-T599 PolarHBondContact O-N 3.37Å; V595-T599 PolarHBondContact O-OG1 2.92Å; V595-A679 HydrophobicContact CG2-CB 3.71Å; V595-Y682 HydrophobicContact CG1-CD1 3.9Å; V595-Y682 HydrophobicContact CG1-CE1 3.98Å; V595-Y682 HydrophobicContact CG2-CD1 3.88Å; V595-Y682 HydrophobicContact CG2-CE1 4.48Å; V595-Y682 HydrophobicContact CG2-CG 4.48Å; V595-L683 HydrophobicContact CG1-CD2 3.85Å; V595-L683 HydrophobicContact CG1-CG 4.4Å |
| 596 | V | 71.7 | Confident | 69.2 | Low | 22 Ų | 22 | 51.5 Ų | 51.5 | 13% | 0.133 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.2 | -51.2 | 177.5 | 175.6 | 0 | 0 | 0 | 0 | 110.6 | P575 T592 Q593 L598 T599 T600 | P575-V596 HydrophobicContact CB-CG2 3.52Å; P575-V596 HydrophobicContact CG-CG2 4.49Å; T592-V596 VanDerWaalsContact O-CG2 3.3Å; T592-V596 WeakPolarHBondContact O-CG2 3.32Å; T592-V596 PolarHBondContact O-N 3.5Å; Q593-V596 WeakPolarHBondContact O-CB 3.43Å; Q593-V596 PolarHBondContact O-N 3.46Å; Q593-V596 VanDerWaalsContact O-N 3.16Å; V596-L598 VanDerWaalsContact C-N 3.31Å; V596-L598 PolarHBondContact O-N 3.14Å; V596-T599 WeakPolarHBondContact CA-OG1 3.31Å; V596-T599 PolarHBondContact O-N 2.94Å; V596-T599 VanDerWaalsContact O-N 3.12Å; V596-T599 PolarHBondContact O-OG1 2.76Å; V596-T600 HydrophobicContact CG1-CG2 4.32Å; V596-T600 WeakPolarHBondContact O-CG2 3.37Å; V596-T600 PolarHBondContact O-N 3.06Å |
| 597 | D | 74.1 | Confident | 70.3 | Confident | 54 Ų | 54 | 55.6 Ų | 55.6 | 29% | 0.289 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -56.6 | -47.5 | 179.7 | -65 | -17.2 | 0 | 0 | 0 | 110.6 | Q593 T599 T600 D601 | Q593-D597 PolarHBondContact NE2-OD1 2.84Å; Q593-D597 PolarHBondContact O-N 3.43Å; D597-T599 PolarHBondContact O-N 3.37Å; D597-T600 PolarHBondContact O-N 3.38Å; D597-T600 PolarHBondContact O-OG1 3.31Å; D597-D601 VanDerWaalsContact O-CG 3.28Å; D597-D601 PolarHBondContact O-N 2.89Å |
| 598 | L | 77.2 | Confident | 71.2 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.3 | -41.2 | 177.2 | -177.1 | 54.1 | 0 | 0 | 0 | 113 | N594 V595 V596 D601 C602 F667 V680 L683 L781 L784 | N594-L598 VanDerWaalsContact O-CB 3.23Å; N594-L598 WeakPolarHBondContact O-CB 3.25Å; N594-L598 PolarHBondContact O-N 2.98Å; V595-L598 PolarHBondContact O-N 3.22Å; V596-L598 VanDerWaalsContact C-N 3.31Å; V596-L598 PolarHBondContact O-N 3.14Å; L598-D601 PolarHBondContact O-N 3.01Å; L598-C602 PolarHBondContact O-N 3.48Å; L598-C602 PolarHBondContact O-SG 3.47Å; L598-F667 HydrophobicContact CB-CE2 3.81Å; L598-F667 HydrophobicContact CB-CZ 4.01Å; L598-F667 HydrophobicContact CD1-CD1 4Å; L598-F667 HydrophobicContact CD1-CD2 3.9Å; L598-F667 HydrophobicContact CD1-CE1 3.83Å; L598-F667 HydrophobicContact CD1-CE2 3.71Å; L598-F667 HydrophobicContact CD1-CG 4.06Å; L598-F667 HydrophobicContact CD1-CZ 3.7Å; L598-F667 HydrophobicContact CD2-CE1 4.04Å; L598-F667 HydrophobicContact CD2-CE2 4.33Å; L598-F667 HydrophobicContact CD2-CZ 3.7Å; L598-F667 HydrophobicContact CG-CE1 4.47Å; L598-F667 HydrophobicContact CG-CE2 4.16Å; L598-F667 HydrophobicContact CG-CZ 4.01Å; L598-V680 HydrophobicContact CD2-CG2 3.74Å; L598-L683 HydrophobicContact CB-CD1 4.25Å; L598-L683 HydrophobicContact CD2-CD1 3.4Å; L598-L683 HydrophobicContact CD2-CG 4.39Å; L598-L683 HydrophobicContact CG-CD1 3.61Å; L598-L781 HydrophobicContact CD1-CD1 3.79Å; L598-L781 HydrophobicContact CD2-CD1 3.85Å; L598-L781 HydrophobicContact CG-CD1 4.01Å; L598-L784 HydrophobicContact CD1-CD1 3.65Å |
| 599 | T | 75.5 | Confident | 72.2 | Confident | 5 Ų | 5 | 46.3 Ų | 46.3 | 3% | 0.031 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -66.8 | -38.4 | 175.9 | 59.7 | 0 | 0 | 0 | 0 | 112.2 | L569 V595 V596 D597 D601 C602 R603 L683 F777 | L569-T599 HydrophobicContact CD1-CG2 3.99Å; L569-T599 HydrophobicContact CD2-CG2 3.61Å; L569-T599 HydrophobicContact CG-CG2 3.57Å; V595-T599 HydrophobicContact CG1-CG2 4.42Å; V595-T599 WeakPolarHBondContact O-CG2 3.08Å; V595-T599 PolarHBondContact O-N 3.37Å; V595-T599 PolarHBondContact O-OG1 2.92Å; V596-T599 WeakPolarHBondContact CA-OG1 3.31Å; V596-T599 PolarHBondContact O-N 2.94Å; V596-T599 VanDerWaalsContact O-N 3.12Å; V596-T599 PolarHBondContact O-OG1 2.76Å; D597-T599 PolarHBondContact O-N 3.37Å; T599-D601 VanDerWaalsContact C-N 3.31Å; T599-D601 PolarHBondContact O-N 3.2Å; T599-C602 PolarHBondContact O-N 3.42Å; T599-R603 PolarHBondContact O-N 3.02Å; T599-L683 HydrophobicContact CG2-CD1 4.21Å; T599-L683 HydrophobicContact CG2-CD2 3.94Å; T599-F777 HydrophobicContact CG2-CE2 4.39Å; T599-F777 HydrophobicContact CG2-CZ 3.87Å |
| 600 | T | 74 | Confident | 72.6 | Confident | 40 Ų | 40 | 40.1 Ų | 40.1 | 25% | 0.245 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -66.1 | -36.7 | 175.6 | 66.3 | 0 | 0 | 0 | 0 | 111.5 | V596 D597 R603 K604 | V596-T600 HydrophobicContact CG1-CG2 4.32Å; V596-T600 WeakPolarHBondContact O-CG2 3.37Å; V596-T600 PolarHBondContact O-N 3.06Å; D597-T600 PolarHBondContact O-N 3.38Å; D597-T600 PolarHBondContact O-OG1 3.31Å; T600-R603 PolarHBondContact O-N 3.18Å; T600-K604 VanDerWaalsContact O-CG 3.31Å; T600-K604 WeakPolarHBondContact O-CG 3.34Å; T600-K604 PolarHBondContact O-N 3.37Å |
| 601 | D | 74.9 | Confident | 73 | Confident | 6 Ų | 6 | 42.2 Ų | 42.2 | 3% | 0.032 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -70 | -39.2 | 177 | -67.6 | -23.1 | 0 | 0 | 0 | 111.7 | D597 L598 T599 R603 K604 I605 F663 S665 L784 | D597-D601 VanDerWaalsContact O-CG 3.28Å; D597-D601 PolarHBondContact O-N 2.89Å; L598-D601 PolarHBondContact O-N 3.01Å; T599-D601 VanDerWaalsContact C-N 3.31Å; T599-D601 PolarHBondContact O-N 3.2Å; D601-R603 VanDerWaalsContact C-N 3.32Å; D601-R603 PolarHBondContact O-N 3.43Å; D601-K604 PolarHBondContact O-N 3.24Å; D601-K604 IonicContact OD1-NZ 2.96Å; D601-K604 PolarHBondContact OD1-NZ 2.98Å; D601-I605 WeakPolarHBondContact O-CG1 3.26Å; D601-I605 PolarHBondContact O-N 3.03Å; D601-F663 HydrophobicContact CB-CZ 4.45Å; D601-S665 WeakPolarHBondContact OD2-CB 3.28Å; D601-L784 HydrophobicContact CB-CD1 4.05Å |
| 602 | C | 79.4 | Confident | 73.1 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -58.1 | -44.6 | 171 | -68.3 | 0 | 0 | 0 | 0 | 111.5 | L598 T599 I605 L606 F777 A780 | L598-C602 PolarHBondContact O-N 3.48Å; L598-C602 PolarHBondContact O-SG 3.47Å; T599-C602 PolarHBondContact O-N 3.42Å; C602-I605 PolarHBondContact O-N 3.43Å; C602-L606 WeakPolarHBondContact O-CG 3.48Å; C602-L606 PolarHBondContact O-N 2.84Å; C602-F777 HydrophobicContact CB-CD2 3.92Å; C602-F777 HydrophobicContact CB-CE2 3.84Å; C602-A780 HydrophobicContact CB-CB 3.86Å |
| 603 | R | 73.8 | Confident | 73.1 | Confident | 47 Ų | 47 | 43.6 Ų | 43.6 | 18% | 0.177 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.2 | -45.3 | 177.7 | -172.6 | -176.2 | -59.3 | 144.3 | 11 | 112.2 | L569 L570 N572 N573 T599 T600 D601 I605 L606 H607 | L569-R603 PolarHBondContact O-NH2 3.49Å; L570-R603 PolarHBondContact O-NE 2.96Å; L570-R603 PolarHBondContact O-NH2 3.31Å; N572-R603 PolarHBondContact O-NH1 2.8Å; N572-R603 PolarHBondContact O-NH2 3.15Å; N573-R603 PolarHBondContact OD1-NH1 3.35Å; T599-R603 PolarHBondContact O-N 3.02Å; T600-R603 PolarHBondContact O-N 3.18Å; D601-R603 VanDerWaalsContact C-N 3.32Å; D601-R603 PolarHBondContact O-N 3.43Å; R603-I605 VanDerWaalsContact C-N 3.31Å; R603-I605 PolarHBondContact O-N 2.91Å; R603-L606 PolarHBondContact O-N 3.19Å; R603-H607 PolarHBondContact O-N 3.27Å |
| 604 | K | 73.4 | Confident | 73.3 | Confident | 94 Ų | 94 | 43 Ų | 43 | 41% | 0.409 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -59.4 | -44 | 176.7 | -71.6 | 169.7 | -162.1 | 154.7 | 0 | 110.9 | T600 D601 H607 I608 F663 | T600-K604 VanDerWaalsContact O-CG 3.31Å; T600-K604 WeakPolarHBondContact O-CG 3.34Å; T600-K604 PolarHBondContact O-N 3.37Å; D601-K604 PolarHBondContact O-N 3.24Å; D601-K604 IonicContact OD1-NZ 2.96Å; D601-K604 PolarHBondContact OD1-NZ 2.98Å; K604-H607 PolarHBondContact O-N 3.03Å; K604-I608 VanDerWaalsContact O-CG1 3.27Å; K604-I608 WeakPolarHBondContact O-CG1 3.48Å; K604-I608 PolarHBondContact O-N 2.78Å; K604-F663 HydrophobicContact CB-CE2 4.21Å; K604-F663 HydrophobicContact CD-CD2 4.13Å; K604-F663 HydrophobicContact CD-CE2 3.6Å |
| 605 | I | 75.7 | Confident | 73.4 | Confident | 7 Ų | 7 | 43.5 Ų | 43.5 | 4% | 0.036 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.2 | -46.9 | 176.9 | -74.4 | 169.4 | 0 | 0 | 0 | 111 | D601 C602 R603 H607 I608 L609 A780 I783 L784 | D601-I605 WeakPolarHBondContact O-CG1 3.26Å; D601-I605 PolarHBondContact O-N 3.03Å; C602-I605 PolarHBondContact O-N 3.43Å; R603-I605 VanDerWaalsContact C-N 3.31Å; R603-I605 PolarHBondContact O-N 2.91Å; I605-H607 VanDerWaalsContact C-N 3.27Å; I605-H607 PolarHBondContact O-N 2.86Å; I605-I608 PolarHBondContact O-N 2.91Å; I605-I608 VanDerWaalsContact O-N 3.14Å; I605-L609 HydrophobicContact CG2-CD1 3.82Å; I605-L609 HydrophobicContact CG2-CG 4.16Å; I605-L609 WeakPolarHBondContact O-CB 3.18Å; I605-L609 VanDerWaalsContact O-CG 3.29Å; I605-L609 WeakPolarHBondContact O-CG 3.27Å; I605-L609 PolarHBondContact O-N 2.88Å; I605-A780 HydrophobicContact CG2-CB 4.46Å; I605-I783 HydrophobicContact CG2-CD1 4.19Å; I605-I783 HydrophobicContact CG2-CG2 4.5Å; I605-L784 HydrophobicContact CD1-CD1 4.03Å; I605-L784 HydrophobicContact CD1-CD2 3.25Å; I605-L784 HydrophobicContact CD1-CG 3.4Å; I605-L784 VanDerWaalsContact CD1-CG 3.4Å |
| 606 | L | 75.4 | Confident | 73 | Confident | 7 Ų | 7 | 46.1 Ų | 46.1 | 4% | 0.037 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59 | -40.7 | 177.1 | -74.1 | 169.8 | 0 | 0 | 0 | 111.9 | L570 C602 R603 L609 Q610 L776 A780 | L570-L606 HydrophobicContact CD1-CD1 3.96Å; L570-L606 HydrophobicContact CD2-CD1 4.46Å; C602-L606 WeakPolarHBondContact O-CG 3.48Å; C602-L606 PolarHBondContact O-N 2.84Å; R603-L606 PolarHBondContact O-N 3.19Å; L606-L609 PolarHBondContact O-N 3.46Å; L606-Q610 VanDerWaalsContact O-CB 3.29Å; L606-Q610 WeakPolarHBondContact O-CB 3.39Å; L606-Q610 WeakPolarHBondContact O-CG 3.42Å; L606-Q610 PolarHBondContact O-N 3.27Å; L606-L776 HydrophobicContact CD1-CB 4.15Å; L606-L776 HydrophobicContact CD2-CB 3.88Å; L606-L776 HydrophobicContact CD2-CD2 4.12Å; L606-L776 HydrophobicContact CD2-CG 4.47Å; L606-A780 HydrophobicContact CD1-CB 4.24Å; L606-A780 HydrophobicContact CD2-CB 4.21Å; L606-A780 HydrophobicContact CG-CB 3.88Å |
| 607 | H | 67.5 | Low | 73 | Confident | 133 Ų | 133 | 50.5 Ų | 50.5 | 62% | 0.616 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -66.2 | -39 | 176.4 | -166.8 | -63.1 | 0 | 0 | 0 | 112.3 | R603 K604 I605 A611 | R603-H607 PolarHBondContact O-N 3.27Å; K604-H607 PolarHBondContact O-N 3.03Å; I605-H607 VanDerWaalsContact C-N 3.27Å; I605-H607 PolarHBondContact O-N 2.86Å; H607-A611 WeakPolarHBondContact O-CB 3.37Å; H607-A611 PolarHBondContact O-N 2.94Å; H607-A611 VanDerWaalsContact O-N 3.13Å |
| 608 | I | 70.5 | Confident | 73.2 | Confident | 68 Ų | 68 | 48.2 Ų | 48.2 | 35% | 0.349 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -64.7 | -46.1 | 175.2 | -69.3 | 163.5 | 0 | 0 | 0 | 110.2 | K604 I605 A611 Q612 | K604-I608 VanDerWaalsContact O-CG1 3.27Å; K604-I608 WeakPolarHBondContact O-CG1 3.48Å; K604-I608 PolarHBondContact O-N 2.78Å; I605-I608 PolarHBondContact O-N 2.91Å; I605-I608 VanDerWaalsContact O-N 3.14Å; I608-A611 PolarHBondContact O-N 3.09Å; I608-Q612 WeakPolarHBondContact O-CG 3.36Å; I608-Q612 PolarHBondContact O-N 3.16Å; I608-Q612 PolarHBondContact O-NE2 3.17Å |
| 609 | L | 73.7 | Confident | 73.1 | Confident | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60.5 | -50.4 | 177.5 | -70.3 | 174.1 | 0 | 0 | 0 | 110.3 | I605 L606 A611 Q612 W615 W618 I641 L645 F779 I783 | I605-L609 HydrophobicContact CG2-CD1 3.82Å; I605-L609 HydrophobicContact CG2-CG 4.16Å; I605-L609 WeakPolarHBondContact O-CB 3.18Å; I605-L609 VanDerWaalsContact O-CG 3.29Å; I605-L609 WeakPolarHBondContact O-CG 3.27Å; I605-L609 PolarHBondContact O-N 2.88Å; L606-L609 PolarHBondContact O-N 3.46Å; L609-A611 PolarHBondContact O-N 2.81Å; L609-Q612 VanDerWaalsContact O-CB 3.27Å; L609-Q612 WeakPolarHBondContact O-CB 3.13Å; L609-Q612 PolarHBondContact O-N 2.94Å; L609-W615 HydrophobicContact CB-CE3 3.82Å; L609-W615 HydrophobicContact CB-CZ3 3.96Å; L609-W615 HydrophobicContact CD1-CZ3 4.22Å; L609-W615 VanDerWaalsContact O-CB 3.28Å; L609-W615 WeakPolarHBondContact O-CB 3.38Å; L609-W618 HydrophobicContact CD2-CE3 4.01Å; L609-W618 HydrophobicContact CD2-CZ3 3.67Å; L609-I641 HydrophobicContact CD2-CG2 3.68Å; L609-L645 HydrophobicContact CD2-CD1 4Å; L609-F779 HydrophobicContact CD1-CD1 4.5Å; L609-F779 HydrophobicContact CD1-CE1 4.32Å; L609-I783 HydrophobicContact CD1-CD1 3.72Å |
| 610 | Q | 69 | Low | 72.8 | Confident | 83 Ų | 83 | 51.5 Ų | 51.5 | 39% | 0.388 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -59.8 | -27.6 | 179.5 | -76 | 174.1 | -5.5 | 0 | 0 | 113.6 | L606 Q612 W615 | L606-Q610 VanDerWaalsContact O-CB 3.29Å; L606-Q610 WeakPolarHBondContact O-CB 3.39Å; L606-Q610 WeakPolarHBondContact O-CG 3.42Å; L606-Q610 PolarHBondContact O-N 3.27Å; Q610-Q612 VanDerWaalsContact C-N 3.31Å; Q610-W615 HydrophobicContact CG-CD2 4.32Å; Q610-W615 HydrophobicContact CG-CZ2 4.16Å |
| 611 | A | 68.2 | Low | 72.8 | Confident | 73 Ų | 73 | 51.2 Ų | 51.2 | 60% | 0.603 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | -13.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | H607 I608 L609 | H607-A611 WeakPolarHBondContact O-CB 3.37Å; H607-A611 PolarHBondContact O-N 2.94Å; H607-A611 VanDerWaalsContact O-N 3.13Å; I608-A611 PolarHBondContact O-N 3.09Å; L609-A611 PolarHBondContact O-N 2.81Å |
| 612 | Q | 71.6 | Confident | 72.9 | Confident | 43 Ų | 43 | 51.9 Ų | 51.9 | 20% | 0.201 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -75.8 | 138.3 | 178.7 | -61.5 | -52.4 | -54.8 | 0 | 0 | 111.5 | I608 L609 Q610 K614 W615 W618 L645 | I608-Q612 WeakPolarHBondContact O-CG 3.36Å; I608-Q612 PolarHBondContact O-N 3.16Å; I608-Q612 PolarHBondContact O-NE2 3.17Å; L609-Q612 VanDerWaalsContact O-CB 3.27Å; L609-Q612 WeakPolarHBondContact O-CB 3.13Å; L609-Q612 PolarHBondContact O-N 2.94Å; Q610-Q612 VanDerWaalsContact C-N 3.31Å; Q612-K614 PolarHBondContact O-N 3.39Å; Q612-K614 VanDerWaalsContact O-N 3.16Å; Q612-W615 WeakPolarHBondContact O-CB 3.32Å; Q612-W615 PolarHBondContact O-N 2.8Å; Q612-W618 HydrophobicContact CB-CH2 3.95Å; Q612-W618 HydrophobicContact CB-CZ3 3.64Å; Q612-W618 HydrophobicContact CG-CH2 3.88Å; Q612-W618 HydrophobicContact CG-CZ3 3.67Å; Q612-L645 HydrophobicContact CG-CD2 4.23Å |
| 613 | P | 69.7 | Low | 72.5 | Confident | 118 Ų | 118 | 52.5 Ų | 52.5 | 77% | 0.766 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -23.9 | 177.3 | 25.9 | -34.1 | 0 | 0 | 0 | 112.8 | W615 P616 | P613-W615 VanDerWaalsContact C-N 3.34Å; P613-P616 WeakPolarHBondContact O-CD 3.09Å |
| 614 | K | 75.3 | Confident | 71.8 | Confident | 90 Ų | 90 | 51.4 Ų | 51.4 | 39% | 0.391 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -6.9 | 175.3 | -67.1 | -177.6 | 179.5 | 178.4 | 0 | 113.8 | Q612 P616 H617 W618 E644 | Q612-K614 PolarHBondContact O-N 3.39Å; Q612-K614 VanDerWaalsContact O-N 3.16Å; K614-P616 VanDerWaalsContact C-CD 3.44Å; K614-H617 WeakPolarHBondContact O-CA 3.05Å; K614-H617 WeakPolarHBondContact O-CB 3.41Å; K614-H617 PolarHBondContact O-N 2.87Å; K614-W618 HydrophobicContact CB-CD2 4.09Å; K614-W618 HydrophobicContact CB-CH2 4.26Å; K614-W618 HydrophobicContact CB-CZ2 3.73Å; K614-W618 HydrophobicContact CD-CZ2 3.99Å; K614-W618 PolarHBondContact O-N 3.36Å; K614-E644 WeakPolarHBondContact CD-OE2 3.18Å; K614-E644 IonicContact NZ-OE1 3.19Å; K614-E644 PolarHBondContact NZ-OE1 3.41Å; K614-E644 IonicContact NZ-OE2 2.92Å; K614-E644 PolarHBondContact NZ-OE2 3.21Å |
| 615 | W | 77.2 | Confident | 70.8 | Confident | 23 Ų | 23 | 50 Ų | 50 | 9% | 0.087 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -52.1 | -44.7 | -179.8 | 176.7 | -119.2 | 0 | 0 | 0 | 114.2 | L609 Q610 Q612 P613 H617 W618 K619 L776 | L609-W615 HydrophobicContact CB-CE3 3.82Å; L609-W615 HydrophobicContact CB-CZ3 3.96Å; L609-W615 HydrophobicContact CD1-CZ3 4.22Å; L609-W615 VanDerWaalsContact O-CB 3.28Å; L609-W615 WeakPolarHBondContact O-CB 3.38Å; Q610-W615 HydrophobicContact CG-CD2 4.32Å; Q610-W615 HydrophobicContact CG-CZ2 4.16Å; Q612-W615 WeakPolarHBondContact O-CB 3.32Å; Q612-W615 PolarHBondContact O-N 2.8Å; P613-W615 VanDerWaalsContact C-N 3.34Å; W615-H617 PolarHBondContact O-N 2.83Å; W615-W618 HydrophobicContact CE3-CB 4.32Å; W615-W618 HydrophobicContact CE3-CE3 4.21Å; W615-W618 PolarHBondContact O-N 3.01Å; W615-W618 VanDerWaalsContact O-N 3.15Å; W615-K619 HydrophobicContact CD2-CB 4.16Å; W615-K619 HydrophobicContact CH2-CB 4.35Å; W615-K619 HydrophobicContact CZ2-CB 3.97Å; W615-K619 HydrophobicContact CZ2-CD 4.12Å; W615-K619 HydrophobicContact CZ2-CG 4.05Å; W615-K619 WeakPolarHBondContact O-CB 3.34Å; W615-K619 PolarHBondContact O-N 2.92Å; W615-L776 HydrophobicContact CH2-CD2 3.51Å; W615-L776 HydrophobicContact CZ2-CD2 3.73Å |
| 616 | P | 65.9 | Low | 69.3 | Low | 55 Ų | 55 | 52.4 Ų | 52.4 | 36% | 0.357 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -60.2 | -34.4 | 178 | -22.3 | 34.6 | 0 | 0 | 0 | 111.9 | P613 K614 A620 | P613-P616 WeakPolarHBondContact O-CD 3.09Å; K614-P616 VanDerWaalsContact C-CD 3.44Å; P616-A620 WeakPolarHBondContact O-CA 3.5Å; P616-A620 WeakPolarHBondContact O-CB 3.26Å; P616-A620 PolarHBondContact O-N 3.11Å |
| 617 | H | 72.1 | Confident | 67.9 | Low | 113 Ų | 113 | 62.2 Ų | 62.2 | 52% | 0.523 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -71.4 | -44.1 | 175.4 | -177.5 | 64.1 | 0 | 0 | 0 | 112 | K614 W615 A620 N621 | K614-H617 WeakPolarHBondContact O-CA 3.05Å; K614-H617 WeakPolarHBondContact O-CB 3.41Å; K614-H617 PolarHBondContact O-N 2.87Å; W615-H617 PolarHBondContact O-N 2.83Å; H617-A620 PolarHBondContact O-N 2.91Å; H617-N621 PolarHBondContact CD2-ND2 3.22Å; H617-N621 PolarHBondContact CE1-ND2 3.15Å; H617-N621 PolarHBondContact NE2-ND2 3.26Å; H617-N621 WeakPolarHBondContact O-CB 3.28Å; H617-N621 PolarHBondContact O-N 2.86Å; H617-N621 PolarHBondContact O-ND2 3.42Å; H617-N621 PolarHBondContact O-OD1 2.93Å |
| 618 | W | 76.6 | Confident | 66.9 | Low | 7 Ų | 7 | 59.1 Ų | 59.1 | 3% | 0.027 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -66.7 | -43.2 | 176.7 | -60.2 | -28.5 | 0 | 0 | 0 | 112.3 | L609 Q612 K614 W615 N621 L622 I641 E644 L645 | L609-W618 HydrophobicContact CD2-CE3 4.01Å; L609-W618 HydrophobicContact CD2-CZ3 3.67Å; Q612-W618 HydrophobicContact CB-CH2 3.95Å; Q612-W618 HydrophobicContact CB-CZ3 3.64Å; Q612-W618 HydrophobicContact CG-CH2 3.88Å; Q612-W618 HydrophobicContact CG-CZ3 3.67Å; K614-W618 HydrophobicContact CB-CD2 4.09Å; K614-W618 HydrophobicContact CB-CH2 4.26Å; K614-W618 HydrophobicContact CB-CZ2 3.73Å; K614-W618 HydrophobicContact CD-CZ2 3.99Å; K614-W618 PolarHBondContact O-N 3.36Å; W615-W618 HydrophobicContact CE3-CB 4.32Å; W615-W618 HydrophobicContact CE3-CE3 4.21Å; W615-W618 PolarHBondContact O-N 3.01Å; W615-W618 VanDerWaalsContact O-N 3.15Å; W618-N621 PolarHBondContact O-N 3.28Å; W618-L622 VanDerWaalsContact O-CB 3.29Å; W618-L622 WeakPolarHBondContact O-CB 3.38Å; W618-L622 PolarHBondContact O-N 2.88Å; W618-I641 HydrophobicContact CB-CD1 4.1Å; W618-I641 HydrophobicContact CD2-CD1 3.91Å; W618-I641 HydrophobicContact CD2-CG1 3.75Å; W618-I641 HydrophobicContact CE3-CD1 4.19Å; W618-I641 HydrophobicContact CE3-CG1 4.2Å; W618-I641 HydrophobicContact CG-CD1 3.88Å; W618-I641 HydrophobicContact CG-CG1 3.99Å; W618-I641 HydrophobicContact CZ2-CG1 4.15Å; W618-I641 HydrophobicContact CZ3-CG2 4.5Å; W618-E644 VanDerWaalsContact CZ2-OE2 3.31Å; W618-E644 WeakPolarHBondContact CZ2-OE2 3.27Å; W618-L645 HydrophobicContact CH2-CD2 4.32Å |
| 619 | K | 75.8 | Confident | 66 | Low | 46 Ų | 46 | 61.4 Ų | 61.4 | 20% | 0.2 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -58.7 | -49.2 | 172.3 | -172.8 | -179 | -178.2 | -174.8 | 0 | 109.5 | W615 N621 L622 F623 E772 | W615-K619 HydrophobicContact CD2-CB 4.16Å; W615-K619 HydrophobicContact CH2-CB 4.35Å; W615-K619 HydrophobicContact CZ2-CB 3.97Å; W615-K619 HydrophobicContact CZ2-CD 4.12Å; W615-K619 HydrophobicContact CZ2-CG 4.05Å; W615-K619 WeakPolarHBondContact O-CB 3.34Å; W615-K619 PolarHBondContact O-N 2.92Å; K619-N621 PolarHBondContact O-N 3.08Å; K619-L622 PolarHBondContact O-N 3.44Å; K619-L622 VanDerWaalsContact O-N 3.14Å; K619-F623 HydrophobicContact CB-CD2 4.47Å; K619-F623 HydrophobicContact CD-CD2 4.43Å; K619-F623 HydrophobicContact CD-CE2 4.48Å; K619-F623 HydrophobicContact CG-CD2 3.45Å; K619-F623 VanDerWaalsContact CG-CD2 3.45Å; K619-F623 HydrophobicContact CG-CE2 3.68Å; K619-F623 WeakPolarHBondContact O-CD2 3.46Å; K619-F623 PolarHBondContact O-N 3.47Å; K619-E772 WeakPolarHBondContact CE-OE1 3.15Å; K619-E772 IonicContact NZ-OE1 2.66Å; K619-E772 PolarHBondContact NZ-OE1 2.9Å |
| 620 | A | 69.1 | Low | 64.8 | Low | 28 Ų | 28 | 66.6 Ų | 66.6 | 23% | 0.231 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -56.6 | -47.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | P616 H617 L622 F623 G624 T626 | P616-A620 WeakPolarHBondContact O-CA 3.5Å; P616-A620 WeakPolarHBondContact O-CB 3.26Å; P616-A620 PolarHBondContact O-N 3.11Å; H617-A620 PolarHBondContact O-N 2.91Å; A620-L622 VanDerWaalsContact C-N 3.27Å; A620-L622 PolarHBondContact O-N 2.93Å; A620-F623 PolarHBondContact O-N 2.99Å; A620-G624 CarbonylContact O-C 3.41Å; A620-G624 WeakPolarHBondContact O-CA 3.23Å; A620-G624 PolarHBondContact O-N 2.69Å; A620-T626 HydrophobicContact CB-CG2 4.34Å |
| 621 | N | 74.3 | Confident | 64.3 | Low | 33 Ų | 33 | 63.6 Ų | 63.6 | 18% | 0.176 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -65.8 | -28.8 | 178.7 | -66.4 | -17.9 | 0 | 0 | 0 | 113.6 | H617 W618 K619 L637 | H617-N621 PolarHBondContact CD2-ND2 3.22Å; H617-N621 PolarHBondContact CE1-ND2 3.15Å; H617-N621 PolarHBondContact NE2-ND2 3.26Å; H617-N621 WeakPolarHBondContact O-CB 3.28Å; H617-N621 PolarHBondContact O-N 2.86Å; H617-N621 PolarHBondContact O-ND2 3.42Å; H617-N621 PolarHBondContact O-OD1 2.93Å; W618-N621 PolarHBondContact O-N 3.28Å; K619-N621 PolarHBondContact O-N 3.08Å; N621-L637 HydrophobicContact CB-CD1 4.08Å; N621-L637 HydrophobicContact CB-CD2 4.17Å |
| 622 | L | 77 | Confident | 64.2 | Low | 20 Ų | 20 | 63.3 Ų | 63.3 | 11% | 0.105 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -76.1 | -45.6 | 179.1 | -176.5 | 63.4 | 0 | 0 | 0 | 112.3 | W618 K619 A620 L637 I775 L776 F779 I844 | W618-L622 VanDerWaalsContact O-CB 3.29Å; W618-L622 WeakPolarHBondContact O-CB 3.38Å; W618-L622 PolarHBondContact O-N 2.88Å; K619-L622 PolarHBondContact O-N 3.44Å; K619-L622 VanDerWaalsContact O-N 3.14Å; A620-L622 VanDerWaalsContact C-N 3.27Å; A620-L622 PolarHBondContact O-N 2.93Å; L622-L637 HydrophobicContact CB-CD2 4.05Å; L622-L637 HydrophobicContact CD1-CD2 4.44Å; L622-I775 HydrophobicContact CD1-CG2 4.2Å; L622-I775 HydrophobicContact CD2-CG2 3.89Å; L622-I775 HydrophobicContact CG-CG2 3.86Å; L622-L776 HydrophobicContact CD2-CD2 4.36Å; L622-F779 HydrophobicContact CD1-CD2 3.53Å; L622-F779 HydrophobicContact CD1-CE2 3.77Å; L622-F779 HydrophobicContact CD1-CG 4.05Å; L622-F779 HydrophobicContact CD1-CZ 4.47Å; L622-F779 HydrophobicContact CD2-CB 4.06Å; L622-F779 HydrophobicContact CD2-CD1 3.87Å; L622-F779 HydrophobicContact CD2-CD2 4.08Å; L622-F779 HydrophobicContact CD2-CE1 4.27Å; L622-F779 HydrophobicContact CD2-CE2 4.46Å; L622-F779 HydrophobicContact CD2-CG 3.74Å; L622-F779 HydrophobicContact CG-CD2 4.46Å; L622-I844 HydrophobicContact CD1-CG2 3.84Å |
| 623 | F | 71.5 | Confident | 64.2 | Low | 14 Ų | 14 | 62.2 Ų | 62.2 | 6% | 0.061 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -98.4 | -47.3 | -176.5 | -66.6 | -75.8 | 0 | 0 | 0 | 112.8 | K619 A620 R625 E772 I775 L776 N852 | K619-F623 HydrophobicContact CB-CD2 4.47Å; K619-F623 HydrophobicContact CD-CD2 4.43Å; K619-F623 HydrophobicContact CD-CE2 4.48Å; K619-F623 HydrophobicContact CG-CD2 3.45Å; K619-F623 VanDerWaalsContact CG-CD2 3.45Å; K619-F623 HydrophobicContact CG-CE2 3.68Å; K619-F623 WeakPolarHBondContact O-CD2 3.46Å; K619-F623 PolarHBondContact O-N 3.47Å; A620-F623 PolarHBondContact O-N 2.99Å; F623-R625 PolarHBondContact O-N 3.46Å; F623-E772 HydrophobicContact CE1-CB 4.1Å; F623-E772 HydrophobicContact CE1-CG 3.73Å; F623-E772 HydrophobicContact CE2-CG 4.41Å; F623-E772 HydrophobicContact CZ-CB 4.48Å; F623-E772 HydrophobicContact CZ-CG 3.68Å; F623-I775 HydrophobicContact CD1-CD1 3.91Å; F623-I775 HydrophobicContact CD1-CG2 4.28Å; F623-I775 HydrophobicContact CE1-CB 3.63Å; F623-I775 HydrophobicContact CE1-CD1 3.56Å; F623-I775 HydrophobicContact CE1-CG1 4.2Å; F623-I775 HydrophobicContact CE1-CG2 3.48Å; F623-I775 VanDerWaalsContact CE1-CG2 3.48Å; F623-I775 HydrophobicContact CZ-CB 3.99Å; F623-I775 HydrophobicContact CZ-CG2 3.63Å; F623-L776 HydrophobicContact CE2-CD2 3.76Å; F623-L776 HydrophobicContact CE2-CG 4.35Å; F623-L776 HydrophobicContact CZ-CD2 3.73Å; F623-L776 HydrophobicContact CZ-CG 3.87Å; F623-N852 PolarHBondContact O-ND2 3.08Å |
| 624 | G | 58.7 | Low | 64.6 | Low | 23 Ų | 23 | 57 Ų | 57 | 24% | 0.237 | 30% | 0.297 | C | S | . | . | trans | -85.5 | 102.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | A620 T626 | A620-G624 CarbonylContact O-C 3.41Å; A620-G624 WeakPolarHBondContact O-CA 3.23Å; A620-G624 PolarHBondContact O-N 2.69Å; G624-T626 PolarHBondContact O-N 3.16Å | ||
| 625 | R | 51.1 | Low | 64.9 | Low | 66 Ų | 66 | 54.2 Ų | 54.2 | 25% | 0.249 | 29% | 0.286 | C | S | . | . | trans | -73.6 | 73.1 | 153.9 | -59.6 | -137.1 | -155.9 | 152.1 | 8.7 | 107.9 | F623 N631 M985 L986 | F623-R625 PolarHBondContact O-N 3.46Å; R625-N631 PolarHBondContact NE-OD1 2.8Å; R625-N631 VanDerWaalsContact NH1-CB 3.29Å; R625-N631 PolarHBondContact NH1-ND2 3.05Å; R625-N631 PolarHBondContact NH1-OD1 2.79Å; R625-N631 PolarHBondContact NH2-OD1 2.78Å; R625-M985 PolarHBondContact NH1-O 3.31Å; R625-L986 HydrophobicContact CB-CD2 3.84Å; R625-L986 HydrophobicContact CG-CD2 3.37Å; R625-L986 VanDerWaalsContact CZ-CA 3.47Å; R625-L986 PolarHBondContact NH1-O 3.34Å; R625-L986 PolarHBondContact NH2-O 2.88Å | ||
| 626 | T | 44.1 | Very low | 65 | Low | 57 Ų | 57 | 55.8 Ų | 55.8 | 35% | 0.35 | 30% | 0.298 | S | S | . | . | trans | -57.6 | 163.8 | 177.9 | 50.2 | 0 | 0 | 0 | 0 | 110.4 | A620 G624 S628 | A620-T626 HydrophobicContact CB-CG2 4.34Å; G624-T626 PolarHBondContact O-N 3.16Å; T626-S628 CarbonylContact O-C 3.4Å; T626-S628 PolarHBondContact O-N 2.96Å; T626-S628 PolarHBondContact O-OG 2.91Å | ||
| 627 | K | 48 | Very low | 65.7 | Low | 213 Ų | 213 | 53.4 Ų | 53.4 | 93% | 0.926 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -35.3 | -22.3 | -172.4 | -64.9 | 175.2 | 179.3 | 174.7 | 0 | 118.2 | N629 | K627-N629 PolarHBondContact O-N 3.41Š|
| 628 | S | 45.4 | Very low | 66.3 | Low | 67 Ų | 67 | 48 Ų | 48 | 47% | 0.469 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -73.3 | 117.4 | 168.7 | 54.3 | 0 | 0 | 0 | 0 | 111.1 | T626 L630 | T626-S628 CarbonylContact O-C 3.4Å; T626-S628 PolarHBondContact O-N 2.96Å; T626-S628 PolarHBondContact O-OG 2.91Å; S628-L630 PolarHBondContact O-N 3.36Å |
| 629 | N | 50.8 | Low | 66.6 | Low | 116 Ų | 116 | 49.8 Ų | 49.8 | 62% | 0.62 | 27% | 0.266 | S | S | * | . | trans | -61 | 11.9 | 178.1 | -70.5 | -27.3 | 0 | 0 | 0 | 115.7 | K627 M985 | K627-N629 PolarHBondContact O-N 3.41Å; N629-M985 HydrophobicContact CB-CE 4.1Å; N629-M985 WeakPolarHBondContact O-CE 3.23Å | ||
| 630 | L | 49.4 | Very low | 66.9 | Low | 111 Ų | 111 | 51.5 Ų | 51.5 | 58% | 0.581 | 28% | 0.275 | S | S | * | . | trans | -97.6 | 112.8 | -175 | -69.1 | 163.7 | 0 | 0 | 0 | 110.1 | S628 I632 | S628-L630 PolarHBondContact O-N 3.36Å; L630-I632 PolarHBondContact O-N 3.06Å | ||
| 631 | N | 59 | Low | 67.5 | Low | 20 Ų | 20 | 50.2 Ų | 50.2 | 11% | 0.107 | 26% | 0.264 | C | S | . | . | trans | -69.9 | 101.2 | 167.3 | -175.5 | 7.4 | 0 | 0 | 0 | 108.2 | R625 L988 P990 | R625-N631 PolarHBondContact NE-OD1 2.8Å; R625-N631 VanDerWaalsContact NH1-CB 3.29Å; R625-N631 PolarHBondContact NH1-ND2 3.05Å; R625-N631 PolarHBondContact NH1-OD1 2.79Å; R625-N631 PolarHBondContact NH2-OD1 2.78Å; N631-L988 PolarHBondContact ND2-O 3Å; N631-P990 HydrophobicContact CB-CB 4.47Å; N631-P990 WeakPolarHBondContact O-CB 3.48Å | ||
| 632 | I | 64.9 | Low | 67.7 | Low | 66 Ų | 66 | 49.1 Ų | 49.1 | 34% | 0.338 | 26% | 0.258 | S | S | . | . | trans | -81.8 | 126.7 | 172.4 | -60.5 | 168.1 | 0 | 0 | 0 | 107 | L630 V636 | L630-I632 PolarHBondContact O-N 3.06Å; I632-V636 HydrophobicContact CG2-CB 4.05Å; I632-V636 HydrophobicContact CG2-CG1 3.98Å | ||
| 633 | S | 72 | Confident | 67.8 | Low | 20 Ų | 20 | 53.4 Ų | 53.4 | 14% | 0.14 | 28% | 0.277 | C | S | . | . | trans | -63.9 | 138.7 | 177.1 | 81.4 | 0 | 0 | 0 | 0 | 109.5 | L635 V636 L637 | S633-L635 PolarHBondContact O-N 2.91Å; S633-V636 PolarHBondContact O-N 3.41Å; S633-V636 VanDerWaalsContact OG-CG2 3.28Å; S633-V636 WeakPolarHBondContact OG-CG2 3.43Å; S633-V636 PolarHBondContact OG-N 3.18Å; S633-L637 PolarHBondContact O-N 3.39Å | ||
| 634 | P | 79.2 | Confident | 68 | Low | 10 Ų | 10 | 55.2 Ų | 55.2 | 7% | 0.065 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -51.6 | -32.4 | 175.4 | -28.1 | 32.3 | 0 | 0 | 0 | 112.8 | L637 V638 L782 V841 I844 Q845 | P634-L637 PolarHBondContact O-N 3.45Å; P634-V638 WeakPolarHBondContact O-CG2 3.35Å; P634-V638 PolarHBondContact O-N 2.91Å; P634-L782 HydrophobicContact CB-CD2 4.18Å; P634-V841 HydrophobicContact CG-CG1 4.3Å; P634-I844 HydrophobicContact CB-CD1 4.3Å; P634-I844 HydrophobicContact CB-CG2 4.06Å; P634-I844 HydrophobicContact CG-CB 4.25Å; P634-I844 HydrophobicContact CG-CG2 3.73Å; P634-Q845 HydrophobicContact CG-CG 3.93Å |
| 635 | L | 80.2 | Confident | 68.6 | Low | 30 Ų | 30 | 54.5 Ų | 54.5 | 16% | 0.157 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -66 | -41.6 | 176.9 | -175.4 | 61.3 | 0 | 0 | 0 | 112.9 | S633 L637 V638 E639 R786 K837 V841 | S633-L635 PolarHBondContact O-N 2.91Å; L635-L637 VanDerWaalsContact C-N 3.32Å; L635-V638 WeakPolarHBondContact O-CB 3.2Å; L635-V638 PolarHBondContact O-N 3.15Å; L635-E639 WeakPolarHBondContact O-CG 3.29Å; L635-E639 PolarHBondContact O-N 3.42Å; L635-R786 HydrophobicContact CD1-CG 4.29Å; L635-K837 HydrophobicContact CD1-CD 3.63Å; L635-K837 HydrophobicContact CD1-CG 3.98Å; L635-K837 HydrophobicContact CD2-CD 3.82Å; L635-K837 HydrophobicContact CD2-CG 4.28Å; L635-K837 HydrophobicContact CG-CD 4.39Å; L635-V841 HydrophobicContact CB-CG2 4.06Å |
| 636 | V | 79.3 | Confident | 69.4 | Low | 57 Ų | 57 | 53.9 Ų | 53.9 | 35% | 0.345 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -64.8 | -40.3 | 175.9 | 169.4 | 0 | 0 | 0 | 0 | 110.4 | I632 S633 V638 E639 Q640 | I632-V636 HydrophobicContact CG2-CB 4.05Å; I632-V636 HydrophobicContact CG2-CG1 3.98Å; S633-V636 PolarHBondContact O-N 3.41Å; S633-V636 VanDerWaalsContact OG-CG2 3.28Å; S633-V636 WeakPolarHBondContact OG-CG2 3.43Å; S633-V636 PolarHBondContact OG-N 3.18Å; V636-V638 VanDerWaalsContact C-N 3.32Å; V636-V638 PolarHBondContact O-N 3.29Å; V636-E639 PolarHBondContact O-N 3.33Å; V636-Q640 HydrophobicContact CG1-CG 4.5Å; V636-Q640 WeakPolarHBondContact O-CG 3.41Å; V636-Q640 PolarHBondContact O-N 3.47Å |
| 637 | L | 81.8 | Confident | 70.5 | Confident | 4 Ų | 4 | 58.4 Ų | 58.4 | 2% | 0.021 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.4 | -41 | 174.6 | -175.4 | 66.3 | 0 | 0 | 0 | 111.2 | N621 L622 S633 P634 L635 Q640 I641 F779 | N621-L637 HydrophobicContact CB-CD1 4.08Å; N621-L637 HydrophobicContact CB-CD2 4.17Å; L622-L637 HydrophobicContact CB-CD2 4.05Å; L622-L637 HydrophobicContact CD1-CD2 4.44Å; S633-L637 PolarHBondContact O-N 3.39Å; P634-L637 PolarHBondContact O-N 3.45Å; L635-L637 VanDerWaalsContact C-N 3.32Å; L637-Q640 PolarHBondContact O-N 3.42Å; L637-I641 HydrophobicContact CD1-CD1 4.31Å; L637-I641 HydrophobicContact CG-CD1 3.95Å; L637-I641 WeakPolarHBondContact O-CB 3.49Å; L637-I641 WeakPolarHBondContact O-CG1 3.41Å; L637-I641 PolarHBondContact O-N 2.76Å; L637-F779 HydrophobicContact CD2-CE2 4.04Å; L637-F779 HydrophobicContact CD2-CZ 3.87Å; L637-F779 HydrophobicContact CG-CE2 4.41Å; L637-F779 HydrophobicContact CG-CZ 4.11Å |
| 638 | V | 83.7 | Confident | 70.9 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62.6 | -43.4 | 173.9 | 165.3 | 0 | 0 | 0 | 0 | 111.7 | P634 L635 V636 I641 I642 F779 L782 I783 R786 | P634-V638 WeakPolarHBondContact O-CG2 3.35Å; P634-V638 PolarHBondContact O-N 2.91Å; L635-V638 WeakPolarHBondContact O-CB 3.2Å; L635-V638 PolarHBondContact O-N 3.15Å; V636-V638 VanDerWaalsContact C-N 3.32Å; V636-V638 PolarHBondContact O-N 3.29Å; V638-I641 PolarHBondContact O-N 3.34Å; V638-I642 HydrophobicContact CG1-CD1 3.63Å; V638-I642 HydrophobicContact CG1-CG1 4.29Å; V638-I642 WeakPolarHBondContact O-CB 3.34Å; V638-I642 VanDerWaalsContact O-CG1 3.25Å; V638-I642 WeakPolarHBondContact O-CG1 3.38Å; V638-I642 PolarHBondContact O-N 2.89Å; V638-F779 HydrophobicContact CG2-CD2 3.99Å; V638-F779 HydrophobicContact CG2-CE2 3.44Å; V638-F779 VanDerWaalsContact CG2-CE2 3.44Å; V638-F779 HydrophobicContact CG2-CZ 3.9Å; V638-L782 HydrophobicContact CG2-CD2 3.82Å; V638-L782 HydrophobicContact CG2-CG 4.01Å; V638-I783 HydrophobicContact CB-CG1 4.32Å; V638-I783 HydrophobicContact CG1-CB 4.42Å; V638-I783 HydrophobicContact CG1-CG1 3.89Å; V638-I783 HydrophobicContact CG2-CG1 3.67Å; V638-R786 HydrophobicContact CG1-CB 3.96Å; V638-R786 HydrophobicContact CG1-CG 4.08Å |
| 639 | E | 83.9 | Confident | 71 | Confident | 44 Ų | 44 | 53.7 Ų | 53.7 | 21% | 0.206 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.8 | -44.6 | 177.2 | -72.8 | 179.6 | 164.1 | 0 | 0 | 111.7 | L635 V636 I641 I642 E643 R786 | L635-E639 WeakPolarHBondContact O-CG 3.29Å; L635-E639 PolarHBondContact O-N 3.42Å; V636-E639 PolarHBondContact O-N 3.33Å; E639-I641 VanDerWaalsContact C-N 3.35Å; E639-I641 PolarHBondContact O-N 3.38Å; E639-I642 PolarHBondContact O-N 3.41Å; E639-E643 WeakPolarHBondContact O-CB 3.05Å; E639-E643 WeakPolarHBondContact O-CG 3.46Å; E639-E643 PolarHBondContact O-N 2.82Å; E639-R786 IonicContact OE1-CZ 3.12Å; E639-R786 IonicContact OE1-NE 2.7Å; E639-R786 PolarHBondContact OE1-NE 2.97Å; E639-R786 IonicContact OE1-NH2 2.76Å; E639-R786 PolarHBondContact OE1-NH2 3.43Å |
| 640 | Q | 81.8 | Confident | 70.6 | Confident | 83 Ų | 83 | 57.4 Ų | 57.4 | 39% | 0.388 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -59.6 | -45.4 | 174.4 | -73.2 | 173.8 | -10 | 0 | 0 | 111.7 | V636 L637 E643 E644 | V636-Q640 HydrophobicContact CG1-CG 4.5Å; V636-Q640 WeakPolarHBondContact O-CG 3.41Å; V636-Q640 PolarHBondContact O-N 3.47Å; L637-Q640 PolarHBondContact O-N 3.42Å; Q640-E643 PolarHBondContact O-N 3.41Å; Q640-E644 WeakPolarHBondContact O-CB 3.33Å; Q640-E644 VanDerWaalsContact O-CG 3.3Å; Q640-E644 WeakPolarHBondContact O-CG 3.33Å; Q640-E644 PolarHBondContact O-N 3.35Å |
| 641 | I | 80.5 | Confident | 70.1 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64.4 | -43.2 | 178.4 | -72.5 | 170 | 0 | 0 | 0 | 110.7 | L609 W618 L637 V638 E639 E644 L645 F779 | L609-I641 HydrophobicContact CD2-CG2 3.68Å; W618-I641 HydrophobicContact CB-CD1 4.1Å; W618-I641 HydrophobicContact CD2-CD1 3.91Å; W618-I641 HydrophobicContact CD2-CG1 3.75Å; W618-I641 HydrophobicContact CE3-CD1 4.19Å; W618-I641 HydrophobicContact CE3-CG1 4.2Å; W618-I641 HydrophobicContact CG-CD1 3.88Å; W618-I641 HydrophobicContact CG-CG1 3.99Å; W618-I641 HydrophobicContact CZ2-CG1 4.15Å; W618-I641 HydrophobicContact CZ3-CG2 4.5Å; L637-I641 HydrophobicContact CD1-CD1 4.31Å; L637-I641 HydrophobicContact CG-CD1 3.95Å; L637-I641 WeakPolarHBondContact O-CB 3.49Å; L637-I641 WeakPolarHBondContact O-CG1 3.41Å; L637-I641 PolarHBondContact O-N 2.76Å; V638-I641 PolarHBondContact O-N 3.34Å; E639-I641 VanDerWaalsContact C-N 3.35Å; E639-I641 PolarHBondContact O-N 3.38Å; I641-E644 PolarHBondContact O-N 2.97Å; I641-L645 HydrophobicContact CG2-CD1 3.39Å; I641-L645 HydrophobicContact CG2-CG 4.08Å; I641-L645 WeakPolarHBondContact O-CB 3.38Å; I641-L645 WeakPolarHBondContact O-CD1 3.14Å; I641-L645 WeakPolarHBondContact O-CG 3.47Å; I641-L645 PolarHBondContact O-N 3.24Å; I641-F779 HydrophobicContact CD1-CE1 3.89Å; I641-F779 HydrophobicContact CD1-CZ 3.59Å |
| 642 | I | 80.2 | Confident | 69.2 | Low | 11 Ų | 11 | 57.4 Ų | 57.4 | 6% | 0.056 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63 | -46.4 | 177.3 | -69.9 | 169 | 0 | 0 | 0 | 110.4 | V638 E639 L645 D646 I783 R786 L790 | V638-I642 HydrophobicContact CG1-CD1 3.63Å; V638-I642 HydrophobicContact CG1-CG1 4.29Å; V638-I642 WeakPolarHBondContact O-CB 3.34Å; V638-I642 VanDerWaalsContact O-CG1 3.25Å; V638-I642 WeakPolarHBondContact O-CG1 3.38Å; V638-I642 PolarHBondContact O-N 2.89Å; E639-I642 PolarHBondContact O-N 3.41Å; I642-L645 PolarHBondContact O-N 2.95Å; I642-D646 VanDerWaalsContact O-CB 3.27Å; I642-D646 WeakPolarHBondContact O-CB 3.12Å; I642-D646 PolarHBondContact O-N 2.8Å; I642-I783 HydrophobicContact CG1-CG2 4.37Å; I642-R786 HydrophobicContact CD1-CB 4.08Å; I642-R786 HydrophobicContact CD1-CG 3.84Å; I642-L790 HydrophobicContact CG2-CD1 4.13Å |
| 643 | E | 78.3 | Confident | 67.9 | Low | 109 Ų | 109 | 59.4 Ų | 59.4 | 51% | 0.509 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.6 | -45.5 | 177.6 | -75.3 | 179 | -175.2 | 0 | 0 | 112.1 | E639 Q640 D646 Q647 | E639-E643 WeakPolarHBondContact O-CB 3.05Å; E639-E643 WeakPolarHBondContact O-CG 3.46Å; E639-E643 PolarHBondContact O-N 2.82Å; Q640-E643 PolarHBondContact O-N 3.41Å; E643-D646 PolarHBondContact O-N 3.47Å; E643-Q647 VanDerWaalsContact O-CG 3.31Å; E643-Q647 WeakPolarHBondContact O-CG 3.38Å; E643-Q647 PolarHBondContact O-N 3.05Å |
| 644 | E | 76.4 | Confident | 65.9 | Low | 53 Ų | 53 | 62.8 Ų | 62.8 | 25% | 0.248 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -67.8 | -39.5 | 178.7 | -73.3 | -167.7 | 165.4 | 0 | 0 | 112.2 | K614 W618 Q640 I641 Q647 I648 | K614-E644 WeakPolarHBondContact CD-OE2 3.18Å; K614-E644 IonicContact NZ-OE1 3.19Å; K614-E644 PolarHBondContact NZ-OE1 3.41Å; K614-E644 IonicContact NZ-OE2 2.92Å; K614-E644 PolarHBondContact NZ-OE2 3.21Å; W618-E644 VanDerWaalsContact CZ2-OE2 3.31Å; W618-E644 WeakPolarHBondContact CZ2-OE2 3.27Å; Q640-E644 WeakPolarHBondContact O-CB 3.33Å; Q640-E644 VanDerWaalsContact O-CG 3.3Å; Q640-E644 WeakPolarHBondContact O-CG 3.33Å; Q640-E644 PolarHBondContact O-N 3.35Å; I641-E644 PolarHBondContact O-N 2.97Å; E644-Q647 PolarHBondContact O-N 3.07Å; E644-I648 VanDerWaalsContact O-CG1 3.31Å; E644-I648 WeakPolarHBondContact O-CG1 3.43Å; E644-I648 PolarHBondContact O-N 2.98Å; E644-I648 VanDerWaalsContact O-N 3.09Å |
| 645 | L | 70.1 | Confident | 63.5 | Low | 7 Ų | 7 | 66.5 Ų | 66.5 | 4% | 0.037 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -69.3 | -37 | 176.8 | -74.3 | 173.8 | 0 | 0 | 0 | 112 | L609 Q612 W618 I641 I642 Q647 I648 N649 W652 | L609-L645 HydrophobicContact CD2-CD1 4Å; Q612-L645 HydrophobicContact CG-CD2 4.23Å; W618-L645 HydrophobicContact CH2-CD2 4.32Å; I641-L645 HydrophobicContact CG2-CD1 3.39Å; I641-L645 HydrophobicContact CG2-CG 4.08Å; I641-L645 WeakPolarHBondContact O-CB 3.38Å; I641-L645 WeakPolarHBondContact O-CD1 3.14Å; I641-L645 WeakPolarHBondContact O-CG 3.47Å; I641-L645 PolarHBondContact O-N 3.24Å; I642-L645 PolarHBondContact O-N 2.95Å; L645-Q647 VanDerWaalsContact C-N 3.31Å; L645-I648 PolarHBondContact O-N 3.43Å; L645-N649 PolarHBondContact O-N 2.9Å; L645-W652 VanDerWaalsContact C-NE1 3.29Å; L645-W652 HydrophobicContact CB-CH2 4.36Å; L645-W652 HydrophobicContact CB-CZ2 3.42Å; L645-W652 VanDerWaalsContact CB-CZ2 3.42Å; L645-W652 HydrophobicContact CD1-CH2 3.75Å; L645-W652 HydrophobicContact CD1-CZ2 3.52Å; L645-W652 HydrophobicContact CD2-CZ2 4.01Å; L645-W652 HydrophobicContact CG-CZ2 3.82Å; L645-W652 PolarHBondContact O-NE1 3.3Å |
| 646 | D | 69.3 | Low | 61.5 | Low | 53 Ų | 53 | 71.1 Ų | 71.1 | 28% | 0.283 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -65.5 | -33.6 | 173.1 | -82.6 | -25.1 | 0 | 0 | 0 | 111.1 | I642 E643 N649 R787 | I642-D646 VanDerWaalsContact O-CB 3.27Å; I642-D646 WeakPolarHBondContact O-CB 3.12Å; I642-D646 PolarHBondContact O-N 2.8Å; E643-D646 PolarHBondContact O-N 3.47Å; D646-N649 CarbonylContact O-C 3.3Å; D646-N649 VanDerWaalsContact O-C 3.3Å; D646-N649 VanDerWaalsContact O-O 3.09Å; D646-R787 IonicContact OD1-CZ 3.75Å; D646-R787 IonicContact OD1-NH1 3.65Å; D646-R787 PolarHBondContact OD1-NH1 3.39Å; D646-R787 IonicContact OD1-NH2 2.73Å; D646-R787 PolarHBondContact OD1-NH2 3.25Å; D646-R787 IonicContact OD2-CZ 3.26Å; D646-R787 IonicContact OD2-NH1 3.01Å; D646-R787 PolarHBondContact OD2-NH1 3.38Å; D646-R787 IonicContact OD2-NH2 2.77Å |
| 647 | Q | 65.7 | Low | 59 | Low | 153 Ų | 153 | 75 Ų | 75 | 72% | 0.715 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -70.7 | -37.7 | 175 | -75.6 | 174.3 | 15.5 | 0 | 0 | 113.5 | E643 E644 L645 N649 | E643-Q647 VanDerWaalsContact O-CG 3.31Å; E643-Q647 WeakPolarHBondContact O-CG 3.38Å; E643-Q647 PolarHBondContact O-N 3.05Å; E644-Q647 PolarHBondContact O-N 3.07Å; L645-Q647 VanDerWaalsContact C-N 3.31Å; Q647-N649 VanDerWaalsContact C-N 3.31Å |
| 648 | I | 56.8 | Low | 56.6 | Low | 99 Ų | 99 | 82.7 Ų | 82.7 | 51% | 0.508 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -71.3 | -31.4 | 179.6 | -67.2 | 164 | 0 | 0 | 0 | 110.9 | E644 L645 | E644-I648 VanDerWaalsContact O-CG1 3.31Å; E644-I648 WeakPolarHBondContact O-CG1 3.43Å; E644-I648 PolarHBondContact O-N 2.98Å; E644-I648 VanDerWaalsContact O-N 3.09Å; L645-I648 PolarHBondContact O-N 3.43Å |
| 649 | N | 47.9 | Very low | 54 | Low | 81 Ų | 81 | 87.4 Ų | 87.4 | 43% | 0.433 | 47% | 0.465 | S | S | . | . | trans | -127.6 | 97 | -178.2 | -78.6 | -22.5 | 0 | 0 | 0 | 109.7 | L645 D646 Q647 C651 W652 | L645-N649 PolarHBondContact O-N 2.9Å; D646-N649 CarbonylContact O-C 3.3Å; D646-N649 VanDerWaalsContact O-C 3.3Å; D646-N649 VanDerWaalsContact O-O 3.09Å; Q647-N649 VanDerWaalsContact C-N 3.31Å; N649-C651 PolarHBondContact O-N 2.94Å; N649-W652 VanDerWaalsContact CB-CD1 3.47Å | ||
| 650 | E | 43.3 | Very low | 51.7 | Low | 195 Ų | 195 | 91.2 Ų | 91.2 | 91% | 0.911 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -0.1 | 160.9 | -77.6 | -167.9 | 161.9 | 0 | 0 | 112.6 | ||
| 651 | C | 38.1 | Very low | 49.6 | Very low | 60 Ų | 60 | 93.6 Ų | 93.6 | 41% | 0.405 | 52% | 0.517 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -135.7 | 57.9 | -176.7 | -70.5 | 0 | 0 | 0 | 0 | 112.4 | N649 L653 | N649-C651 PolarHBondContact O-N 2.94Å; C651-L653 CarbonylContact C-O 3.5Å; C651-L653 WeakPolarHBondContact CA-O 3.3Å; C651-L653 WeakPolarHBondContact CB-O 3.48Å; C651-L653 CarbonylContact O-C 3.31Å; C651-L653 VanDerWaalsContact O-C 3.31Å; C651-L653 PolarHBondContact O-N 3.28Å |
| 652 | W | 41.1 | Very low | 47.4 | Very low | 70 Ų | 70 | 101.1 Ų | 101.1 | 27% | 0.265 | 55% | 0.549 | S | S | . | . | S | Bend | trans | -58 | -5.9 | 161.5 | -92.4 | 68.5 | 0 | 0 | 0 | 113.4 | L645 N649 | L645-W652 VanDerWaalsContact C-NE1 3.29Å; L645-W652 HydrophobicContact CB-CH2 4.36Å; L645-W652 HydrophobicContact CB-CZ2 3.42Å; L645-W652 VanDerWaalsContact CB-CZ2 3.42Å; L645-W652 HydrophobicContact CD1-CH2 3.75Å; L645-W652 HydrophobicContact CD1-CZ2 3.52Å; L645-W652 HydrophobicContact CD2-CZ2 4.01Å; L645-W652 HydrophobicContact CG-CZ2 3.82Å; L645-W652 PolarHBondContact O-NE1 3.3Å; N649-W652 VanDerWaalsContact CB-CD1 3.47Å |
| 653 | L | 35.9 | Very low | 45.6 | Very low | 108 Ų | 108 | 103.6 Ų | 103.6 | 57% | 0.565 | 56% | 0.56 | S | S | * | * | S | Bend | trans | -129.3 | 131.8 | 145.5 | -80.6 | 93.3 | 0 | 0 | 0 | 108.7 | C651 | C651-L653 CarbonylContact C-O 3.5Å; C651-L653 WeakPolarHBondContact CA-O 3.3Å; C651-L653 WeakPolarHBondContact CB-O 3.48Å; C651-L653 CarbonylContact O-C 3.31Å; C651-L653 VanDerWaalsContact O-C 3.31Å; C651-L653 PolarHBondContact O-N 3.28Å |
| 654 | P | 30.7 | Very low | 44.4 | Very low | 92 Ų | 92 | 106.2 Ų | 106.2 | 60% | 0.597 | 57% | 0.57 | S | S | * | * | trans | -63.8 | 142.8 | 175 | 25.8 | -30.6 | 0 | 0 | 0 | 110 | ||||
| 655 | P | 29.7 | Very low | 43.6 | Very low | 87 Ų | 87 | 103.9 Ų | 103.9 | 57% | 0.565 | 56% | 0.559 | S | S | * | * | trans | -58.4 | 150.9 | 170.4 | -4.7 | 19 | 0 | 0 | 0 | 108.3 | I657 | P655-I657 PolarHBondContact O-N 3.38Š| ||
| 656 | P | 36.6 | Very low | 43.1 | Very low | 128 Ų | 128 | 105.1 Ų | 105.1 | 83% | 0.831 | 57% | 0.568 | S | S | * | * | S | Bend | trans | -77.4 | 72.2 | -164.2 | 33.8 | -35.6 | 0 | 0 | 0 | 111.2 | ||
| 657 | I | 28.1 | Very low | 42.8 | Very low | 137 Ų | 137 | 102.7 Ų | 102.7 | 70% | 0.703 | 56% | 0.555 | S | S | * | * | S | Bend | trans | -138.5 | 98.3 | 170.1 | -53.8 | -179.6 | 0 | 0 | 0 | 108 | P655 | P655-I657 PolarHBondContact O-N 3.38Š|
| 658 | I | 30.6 | Very low | 42.4 | Very low | 166 Ų | 166 | 96.7 Ų | 96.7 | 85% | 0.851 | 53% | 0.529 | S | S | * | . | S | Bend | trans | 57.9 | 75.7 | 150.6 | -43.8 | 166.7 | 0 | 0 | 0 | 116.2 | ||
| 659 | S | 29.9 | Very low | 42.7 | Very low | 99 Ų | 99 | 95.6 Ų | 95.6 | 69% | 0.692 | 53% | 0.527 | S | S | * | . | trans | -163.4 | 145.5 | 137.5 | 63.2 | 0 | 0 | 0 | 0 | 110.4 | V661 | S659-V661 PolarHBondContact O-N 2.85Š| ||
| 660 | S | 34.9 | Very low | 43.2 | Very low | 125 Ų | 125 | 92.6 Ų | 92.6 | 87% | 0.874 | 52% | 0.515 | S | S | * | . | S | Bend | trans | -86.9 | 18.2 | -155 | 44.8 | 0 | 0 | 0 | 0 | 116.8 | ||
| 661 | V | 37.6 | Very low | 44.2 | Very low | 132 Ų | 132 | 86.9 Ų | 86.9 | 80% | 0.8 | 50% | 0.497 | S | S | * | . | trans | -113.3 | 75.4 | 173.7 | -169.5 | 0 | 0 | 0 | 0 | 109.7 | S659 F663 | S659-V661 PolarHBondContact O-N 2.85Å; V661-F663 PolarHBondContact O-N 3.1Å | ||
| 662 | K | 35.3 | Very low | 45.6 | Very low | 158 Ų | 158 | 85.9 Ų | 85.9 | 69% | 0.687 | 49% | 0.488 | S | S | * | . | trans | -70.9 | 108.9 | 173.8 | -66.3 | -176.7 | 176.4 | -179.3 | 0 | 108.7 | K664 | K662-K664 HydrophobicContact CB-CG 3.89Å; K662-K664 PolarHBondContact O-N 3.06Å | ||
| 663 | F | 42.2 | Very low | 47 | Very low | 64 Ų | 64 | 85 Ų | 85 | 28% | 0.281 | 49% | 0.492 | S | S | . | . | trans | -67.4 | 83.2 | 167.2 | -161 | -87.8 | 0 | 0 | 0 | 108.6 | D601 K604 V661 S665 | D601-F663 HydrophobicContact CB-CZ 4.45Å; K604-F663 HydrophobicContact CB-CE2 4.21Å; K604-F663 HydrophobicContact CD-CD2 4.13Å; K604-F663 HydrophobicContact CD-CE2 3.6Å; V661-F663 PolarHBondContact O-N 3.1Å; F663-S665 WeakPolarHBondContact CE1-OG 3.35Å; F663-S665 PolarHBondContact O-N 3.41Å | ||
| 664 | K | 52 | Low | 48.6 | Very low | 163 Ų | 163 | 84.3 Ų | 84.3 | 71% | 0.709 | 49% | 0.489 | S | S | * | . | trans | -95.5 | 46.7 | 178.9 | -69 | -173 | 174.8 | -176.2 | 0 | 111.2 | K662 P666 | K662-K664 HydrophobicContact CB-CG 3.89Å; K662-K664 PolarHBondContact O-N 3.06Å; K664-P666 WeakPolarHBondContact O-CD 3.37Å | ||
| 665 | S | 59.8 | Low | 50.6 | Low | 5 Ų | 5 | 82 Ų | 82 | 4% | 0.035 | 48% | 0.475 | C | S | . | . | trans | -75.4 | 127.6 | 175.9 | 80.3 | 0 | 0 | 0 | 0 | 110 | D601 F663 F667 C668 | D601-S665 WeakPolarHBondContact OD2-CB 3.28Å; F663-S665 WeakPolarHBondContact CE1-OG 3.35Å; F663-S665 PolarHBondContact O-N 3.41Å; S665-F667 PolarHBondContact O-N 3.37Å; S665-F667 VanDerWaalsContact O-N 3.17Å; S665-C668 PolarHBondContact O-N 3.18Å; S665-C668 VanDerWaalsContact O-N 3.09Å; S665-C668 PolarHBondContact OG-N 2.93Å; S665-C668 PolarHBondContact OG-SG 3.27Å | ||
| 666 | P | 60.1 | Low | 52.8 | Low | 33 Ų | 33 | 78.8 Ų | 78.8 | 21% | 0.214 | 45% | 0.452 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -17.9 | 173.9 | 20.9 | -28.9 | 0 | 0 | 0 | 112.8 | K664 C668 T669 H676 | K664-P666 WeakPolarHBondContact O-CD 3.37Å; P666-C668 VanDerWaalsContact C-N 3.3Å; P666-C668 PolarHBondContact O-N 2.78Å; P666-T669 PolarHBondContact O-OG1 3.38Å; P666-H676 WeakPolarHBondContact CG-NE2 3.49Å |
| 667 | F | 62 | Low | 54.6 | Low | 2 Ų | 2 | 74.2 Ų | 74.2 | 1% | 0.009 | 42% | 0.421 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -19.6 | 174 | -67 | -85.2 | 0 | 0 | 0 | 113.6 | L598 S665 L672 H676 V680 L784 N788 | L598-F667 HydrophobicContact CB-CE2 3.81Å; L598-F667 HydrophobicContact CB-CZ 4.01Å; L598-F667 HydrophobicContact CD1-CD1 4Å; L598-F667 HydrophobicContact CD1-CD2 3.9Å; L598-F667 HydrophobicContact CD1-CE1 3.83Å; L598-F667 HydrophobicContact CD1-CE2 3.71Å; L598-F667 HydrophobicContact CD1-CG 4.06Å; L598-F667 HydrophobicContact CD1-CZ 3.7Å; L598-F667 HydrophobicContact CD2-CE1 4.04Å; L598-F667 HydrophobicContact CD2-CE2 4.33Å; L598-F667 HydrophobicContact CD2-CZ 3.7Å; L598-F667 HydrophobicContact CG-CE1 4.47Å; L598-F667 HydrophobicContact CG-CE2 4.16Å; L598-F667 HydrophobicContact CG-CZ 4.01Å; S665-F667 PolarHBondContact O-N 3.37Å; S665-F667 VanDerWaalsContact O-N 3.17Å; F667-L672 HydrophobicContact CD1-CD1 4.36Å; F667-L672 HydrophobicContact CD1-CD2 3.33Å; F667-L672 HydrophobicContact CD1-CG 4.44Å; F667-L672 HydrophobicContact CE1-CD2 3.36Å; F667-L672 HydrophobicContact CG-CD2 3.92Å; F667-L672 HydrophobicContact CZ-CD2 4Å; F667-H676 HydrophobicContact CE1-CB 4.16Å; F667-H676 AromaticContact CE2-CD2 3.61Å; F667-H676 HydrophobicContact CZ-CB 3.83Å; F667-H676 AromaticContact CZ-CD2 3.66Å; F667-V680 HydrophobicContact CE1-CG2 3.79Å; F667-V680 HydrophobicContact CZ-CG2 4.4Å; F667-L784 HydrophobicContact CB-CD2 4.38Å; F667-N788 VanDerWaalsContact O-CB 3.24Å; F667-N788 WeakPolarHBondContact O-CB 3.27Å; F667-N788 PolarHBondContact O-OD1 3.43Å |
| 668 | C | 58.3 | Low | 56.8 | Low | 26 Ų | 26 | 69 Ų | 69 | 18% | 0.176 | 40% | 0.395 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | -13.3 | 176.8 | -70.4 | 0 | 0 | 0 | 0 | 113.6 | S665 P666 | S665-C668 PolarHBondContact O-N 3.18Å; S665-C668 VanDerWaalsContact O-N 3.09Å; S665-C668 PolarHBondContact OG-N 2.93Å; S665-C668 PolarHBondContact OG-SG 3.27Å; P666-C668 VanDerWaalsContact C-N 3.3Å; P666-C668 PolarHBondContact O-N 2.78Å |
| 669 | T | 62 | Low | 59 | Low | 76 Ų | 76 | 61 Ų | 61 | 47% | 0.466 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | -4.4 | -174.5 | 57 | 0 | 0 | 0 | 0 | 114.3 | P666 S671 | P666-T669 PolarHBondContact O-OG1 3.38Å; T669-S671 VanDerWaalsContact C-N 3.26Å; T669-S671 PolarHBondContact O-N 3.3Å; T669-S671 PolarHBondContact OG1-OG 2.99Å |
| 670 | G | 59.4 | Low | 61.4 | Low | 18 Ų | 18 | 56.4 Ų | 56.4 | 19% | 0.186 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.7 | -0.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | N788 | G670-N788 WeakPolarHBondContact CA-OD1 3.28Å; G670-N788 PolarHBondContact N-OD1 3.06Å |
| 671 | S | 63.9 | Low | 63.4 | Low | 76 Ų | 76 | 54.2 Ų | 54.2 | 53% | 0.531 | 30% | 0.299 | S | S | . | . | trans | -108.3 | 61.8 | -170 | 65.9 | 0 | 0 | 0 | 0 | 112.5 | T669 | T669-S671 VanDerWaalsContact C-N 3.26Å; T669-S671 PolarHBondContact O-N 3.3Å; T669-S671 PolarHBondContact OG1-OG 2.99Å | ||
| 672 | L | 68.1 | Low | 65.2 | Low | 39 Ų | 39 | 48.1 Ų | 48.1 | 20% | 0.204 | 26% | 0.262 | C | S | . | . | trans | -78.2 | 126 | 177.7 | -70.1 | 171.9 | 0 | 0 | 0 | 111.6 | F667 H676 N788 W832 | F667-L672 HydrophobicContact CD1-CD1 4.36Å; F667-L672 HydrophobicContact CD1-CD2 3.33Å; F667-L672 HydrophobicContact CD1-CG 4.44Å; F667-L672 HydrophobicContact CE1-CD2 3.36Å; F667-L672 HydrophobicContact CG-CD2 3.92Å; F667-L672 HydrophobicContact CZ-CD2 4Å; L672-H676 HydrophobicContact CB-CB 4.37Å; L672-H676 HydrophobicContact CD2-CB 3.52Å; L672-N788 HydrophobicContact CD1-CB 4.49Å; L672-N788 WeakPolarHBondContact CD1-ND2 3.41Å; L672-W832 HydrophobicContact CD1-CH2 3.5Å; L672-W832 HydrophobicContact CD1-CZ2 3.59Å | ||
| 673 | S | 70.5 | Confident | 67.2 | Low | 50 Ų | 50 | 40.6 Ų | 40.6 | 35% | 0.35 | 23% | 0.229 | S | C | . | . | trans | -82.9 | 164.9 | 167.5 | 73.4 | 0 | 0 | 0 | 0 | 111.7 | S675 H676 L677 | S673-S675 PolarHBondContact O-N 2.89Å; S673-S675 VanDerWaalsContact O-N 3.14Å; S673-S675 PolarHBondContact OG-N 2.8Å; S673-S675 PolarHBondContact OG-OG 2.78Å; S673-H676 PolarHBondContact N-ND1 2.8Å; S673-H676 WeakPolarHBondContact O-CB 3.32Å; S673-H676 PolarHBondContact O-N 2.84Å; S673-H676 PolarHBondContact OG-CE1 2.94Å; S673-H676 PolarHBondContact OG-ND1 2.84Å; S673-L677 PolarHBondContact O-N 2.8Å | ||
| 674 | N | 69.9 | Low | 68.9 | Low | 94 Ų | 94 | 38.4 Ų | 38.4 | 50% | 0.503 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -51.8 | -36.2 | 173.3 | -81.2 | -16.9 | 0 | 0 | 0 | 113.2 | H676 L677 T678 I828 | N674-H676 VanDerWaalsContact C-N 3.27Å; N674-H676 PolarHBondContact O-N 2.73Å; N674-L677 WeakPolarHBondContact O-CB 3.25Å; N674-L677 PolarHBondContact O-N 2.76Å; N674-T678 PolarHBondContact O-N 2.81Å; N674-T678 PolarHBondContact O-OG1 3.33Å; N674-I828 WeakPolarHBondContact OD1-CD1 3.37Å; N674-I828 WeakPolarHBondContact OD1-CG1 3.22Å |
| 675 | S | 72 | Confident | 69.7 | Low | 43 Ų | 43 | 32 Ų | 32 | 30% | 0.301 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -69.4 | -23 | 178.6 | 56.1 | 0 | 0 | 0 | 0 | 113.6 | N594 S673 A679 | N594-S675 VanDerWaalsContact ND2-CB 3.28Å; N594-S675 WeakPolarHBondContact ND2-CB 3.49Å; N594-S675 PolarHBondContact ND2-O 2.69Å; N594-S675 VanDerWaalsContact ND2-O 3.16Å; N594-S675 PolarHBondContact ND2-OG 3.35Å; S673-S675 PolarHBondContact O-N 2.89Å; S673-S675 VanDerWaalsContact O-N 3.14Å; S673-S675 PolarHBondContact OG-N 2.8Å; S673-S675 PolarHBondContact OG-OG 2.78Å; S675-A679 PolarHBondContact O-N 3.21Å |
| 676 | H | 75.1 | Confident | 70.2 | Confident | 20 Ų | 20 | 32.2 Ų | 32.2 | 9% | 0.093 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -76.6 | -38.3 | 170.8 | -62.2 | 89 | 0 | 0 | 0 | 111.2 | N594 P666 F667 L672 S673 N674 T678 A679 V680 | N594-H676 PolarHBondContact ND2-N 3.31Å; P666-H676 WeakPolarHBondContact CG-NE2 3.49Å; F667-H676 HydrophobicContact CE1-CB 4.16Å; F667-H676 AromaticContact CE2-CD2 3.61Å; F667-H676 HydrophobicContact CZ-CB 3.83Å; F667-H676 AromaticContact CZ-CD2 3.66Å; L672-H676 HydrophobicContact CB-CB 4.37Å; L672-H676 HydrophobicContact CD2-CB 3.52Å; S673-H676 PolarHBondContact N-ND1 2.8Å; S673-H676 WeakPolarHBondContact O-CB 3.32Å; S673-H676 PolarHBondContact O-N 2.84Å; S673-H676 PolarHBondContact OG-CE1 2.94Å; S673-H676 PolarHBondContact OG-ND1 2.84Å; N674-H676 VanDerWaalsContact C-N 3.27Å; N674-H676 PolarHBondContact O-N 2.73Å; H676-T678 VanDerWaalsContact C-N 3.32Å; H676-T678 PolarHBondContact O-N 3.06Å; H676-A679 WeakPolarHBondContact O-CB 3.42Å; H676-A679 PolarHBondContact O-N 3.29Å; H676-A679 VanDerWaalsContact O-N 3.14Å; H676-V680 WeakPolarHBondContact O-CG2 3.43Å; H676-V680 PolarHBondContact O-N 3.19Å |
| 677 | L | 74.8 | Confident | 70.8 | Confident | 33 Ų | 33 | 30.7 Ų | 30.7 | 17% | 0.173 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -58.9 | -46.5 | 173.8 | -171.5 | 79.4 | 0 | 0 | 0 | 110.7 | S673 N674 A679 V680 I681 W832 | S673-L677 PolarHBondContact O-N 2.8Å; N674-L677 WeakPolarHBondContact O-CB 3.25Å; N674-L677 PolarHBondContact O-N 2.76Å; L677-A679 VanDerWaalsContact C-N 3.27Å; L677-A679 PolarHBondContact O-N 2.9Å; L677-V680 PolarHBondContact O-N 2.89Å; L677-I681 HydrophobicContact CD2-CD1 4.38Å; L677-I681 HydrophobicContact CG-CD1 4.08Å; L677-I681 WeakPolarHBondContact O-CG1 3.32Å; L677-I681 PolarHBondContact O-N 2.78Å; L677-W832 HydrophobicContact CD1-CB 4.17Å; L677-W832 HydrophobicContact CD1-CD2 3.11Å; L677-W832 HydrophobicContact CD1-CE3 3.13Å; L677-W832 HydrophobicContact CD1-CG 3.61Å; L677-W832 HydrophobicContact CD1-CH2 4Å; L677-W832 HydrophobicContact CD1-CZ2 3.98Å; L677-W832 HydrophobicContact CD1-CZ3 3.6Å |
| 678 | T | 74.2 | Confident | 70.8 | Confident | 26 Ų | 26 | 32.7 Ų | 32.7 | 16% | 0.16 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58.9 | -38.8 | 175 | -45.7 | 0 | 0 | 0 | 0 | 111.9 | L586 V590 N674 H676 I681 Y682 | L586-T678 HydrophobicContact CD2-CG2 3.3Å; V590-T678 HydrophobicContact CG2-CG2 4.08Å; N674-T678 PolarHBondContact O-N 2.81Å; N674-T678 PolarHBondContact O-OG1 3.33Å; H676-T678 VanDerWaalsContact C-N 3.32Å; H676-T678 PolarHBondContact O-N 3.06Å; T678-I681 PolarHBondContact O-N 2.84Å; T678-Y682 WeakPolarHBondContact O-CB 3.14Å; T678-Y682 PolarHBondContact O-N 2.86Å |
| 679 | A | 77.5 | Confident | 70.7 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -67 | -40.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | N594 V595 S675 H676 L677 Y682 L683 | N594-A679 HydrophobicContact CB-CB 3.89Å; V595-A679 HydrophobicContact CG2-CB 3.71Å; S675-A679 PolarHBondContact O-N 3.21Å; H676-A679 WeakPolarHBondContact O-CB 3.42Å; H676-A679 PolarHBondContact O-N 3.29Å; H676-A679 VanDerWaalsContact O-N 3.14Å; L677-A679 VanDerWaalsContact C-N 3.27Å; L677-A679 PolarHBondContact O-N 2.9Å; A679-Y682 PolarHBondContact O-N 3.34Å; A679-L683 WeakPolarHBondContact O-CG 3.31Å; A679-L683 PolarHBondContact O-N 3.3Å |
| 680 | V | 80.5 | Confident | 70.2 | Confident | 2 Ų | 2 | 30.3 Ų | 30.3 | 1% | 0.012 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.7 | -48.1 | 173.8 | 172.8 | 0 | 0 | 0 | 0 | 110.4 | L598 F667 H676 L677 Y682 L683 L684 I785 | L598-V680 HydrophobicContact CD2-CG2 3.74Å; F667-V680 HydrophobicContact CE1-CG2 3.79Å; F667-V680 HydrophobicContact CZ-CG2 4.4Å; H676-V680 WeakPolarHBondContact O-CG2 3.43Å; H676-V680 PolarHBondContact O-N 3.19Å; L677-V680 PolarHBondContact O-N 2.89Å; V680-Y682 VanDerWaalsContact C-N 3.27Å; V680-Y682 PolarHBondContact O-N 2.8Å; V680-L683 PolarHBondContact O-N 2.87Å; V680-L684 HydrophobicContact CG1-CD1 3.98Å; V680-L684 HydrophobicContact CG1-CG 4.25Å; V680-L684 VanDerWaalsContact O-CG 3.31Å; V680-L684 WeakPolarHBondContact O-CG 3.46Å; V680-L684 PolarHBondContact O-N 3.15Å; V680-I785 HydrophobicContact CG1-CD1 3.82Å |
| 681 | I | 75.8 | Confident | 69.3 | Low | 78 Ų | 78 | 33 Ų | 33 | 40% | 0.4 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -59.8 | -40.7 | 177.6 | -66.9 | 167.2 | 0 | 0 | 0 | 110.7 | L586 L677 T678 L684 S685 | L586-I681 HydrophobicContact CD1-CG2 4.25Å; L677-I681 HydrophobicContact CD2-CD1 4.38Å; L677-I681 HydrophobicContact CG-CD1 4.08Å; L677-I681 WeakPolarHBondContact O-CG1 3.32Å; L677-I681 PolarHBondContact O-N 2.78Å; T678-I681 PolarHBondContact O-N 2.84Å; I681-L684 PolarHBondContact O-N 2.79Å; I681-S685 WeakPolarHBondContact O-CB 3.3Å; I681-S685 PolarHBondContact O-N 2.79Å |
| 682 | Y | 75 | Confident | 68 | Low | 4 Ų | 4 | 31.3 Ų | 31.3 | 2% | 0.016 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61 | -47.8 | 174.8 | 177.1 | -95 | 0 | 0 | 0 | 111.9 | I581 V590 V595 T678 A679 V680 S685 L686 | I581-Y682 WeakPolarHBondContact CB-OH 3.39Å; I581-Y682 HydrophobicContact CG2-CE2 4.49Å; V590-Y682 HydrophobicContact CG1-CG 4.29Å; V590-Y682 HydrophobicContact CG2-CD2 4.21Å; V595-Y682 HydrophobicContact CG1-CD1 3.9Å; V595-Y682 HydrophobicContact CG1-CE1 3.98Å; V595-Y682 HydrophobicContact CG2-CD1 3.88Å; V595-Y682 HydrophobicContact CG2-CE1 4.48Å; V595-Y682 HydrophobicContact CG2-CG 4.48Å; T678-Y682 WeakPolarHBondContact O-CB 3.14Å; T678-Y682 PolarHBondContact O-N 2.86Å; A679-Y682 PolarHBondContact O-N 3.34Å; V680-Y682 VanDerWaalsContact C-N 3.27Å; V680-Y682 PolarHBondContact O-N 2.8Å; Y682-S685 PolarHBondContact O-N 3.33Å; Y682-S685 PolarHBondContact O-OG 3.19Å; Y682-L686 HydrophobicContact CE1-CD1 4.36Å; Y682-L686 PolarHBondContact O-N 2.98Å |
| 683 | L | 77.8 | Confident | 66.5 | Low | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64.8 | -39.5 | 176.9 | -70.4 | -174.6 | 0 | 0 | 0 | 112.9 | L569 V595 L598 T599 A679 V680 S685 L686 L687 F777 L781 | L569-L683 HydrophobicContact CD2-CD2 3.53Å; V595-L683 HydrophobicContact CG1-CD2 3.85Å; V595-L683 HydrophobicContact CG1-CG 4.4Å; L598-L683 HydrophobicContact CB-CD1 4.25Å; L598-L683 HydrophobicContact CD2-CD1 3.4Å; L598-L683 HydrophobicContact CD2-CG 4.39Å; L598-L683 HydrophobicContact CG-CD1 3.61Å; T599-L683 HydrophobicContact CG2-CD1 4.21Å; T599-L683 HydrophobicContact CG2-CD2 3.94Å; A679-L683 WeakPolarHBondContact O-CG 3.31Å; A679-L683 PolarHBondContact O-N 3.3Å; V680-L683 PolarHBondContact O-N 2.87Å; L683-S685 VanDerWaalsContact C-N 3.31Å; L683-L686 WeakPolarHBondContact O-CB 3.34Å; L683-L686 PolarHBondContact O-N 2.88Å; L683-L687 WeakPolarHBondContact O-CB 3.29Å; L683-L687 WeakPolarHBondContact O-CG 3.28Å; L683-L687 PolarHBondContact O-N 2.75Å; L683-F777 HydrophobicContact CD1-CE2 4.34Å; L683-F777 HydrophobicContact CD1-CZ 3.91Å; L683-F777 HydrophobicContact CD2-CE1 4.28Å; L683-F777 HydrophobicContact CD2-CZ 3.82Å; L683-F777 HydrophobicContact CG-CZ 4.38Å; L683-L781 HydrophobicContact CB-CD2 4.11Å; L683-L781 HydrophobicContact CD1-CD1 4.44Å; L683-L781 HydrophobicContact CD1-CD2 4.49Å |
| 684 | L | 77.3 | Confident | 64.7 | Low | 19 Ų | 19 | 32 Ų | 32 | 10% | 0.099 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.4 | -44.3 | 173.2 | -70.7 | 176.1 | 0 | 0 | 0 | 110.7 | V680 I681 L686 L687 D688 L781 A836 L840 | V680-L684 HydrophobicContact CG1-CD1 3.98Å; V680-L684 HydrophobicContact CG1-CG 4.25Å; V680-L684 VanDerWaalsContact O-CG 3.31Å; V680-L684 WeakPolarHBondContact O-CG 3.46Å; V680-L684 PolarHBondContact O-N 3.15Å; I681-L684 PolarHBondContact O-N 2.79Å; L684-L686 VanDerWaalsContact C-N 3.31Å; L684-L686 PolarHBondContact O-N 2.78Å; L684-L687 PolarHBondContact O-N 3.44Å; L684-D688 VanDerWaalsContact O-CB 3.25Å; L684-D688 WeakPolarHBondContact O-CB 3.35Å; L684-D688 PolarHBondContact O-N 3.07Å; L684-L781 HydrophobicContact CD2-CD2 4.21Å; L684-A836 HydrophobicContact CD1-CB 4.07Å; L684-L840 HydrophobicContact CD2-CD1 4.04Å; L684-L840 HydrophobicContact CD2-CD2 3.31Å; L684-L840 HydrophobicContact CD2-CG 3.41Å; L684-L840 VanDerWaalsContact CD2-CG 3.41Å |
| 685 | S | 70.8 | Confident | 63 | Low | 28 Ų | 28 | 31.2 Ų | 31.2 | 20% | 0.196 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -61.2 | -41.4 | 175 | 80.3 | 0 | 0 | 0 | 0 | 111 | I681 Y682 L683 L687 D688 N689 | I681-S685 WeakPolarHBondContact O-CB 3.3Å; I681-S685 PolarHBondContact O-N 2.79Å; Y682-S685 PolarHBondContact O-N 3.33Å; Y682-S685 PolarHBondContact O-OG 3.19Å; L683-S685 VanDerWaalsContact C-N 3.31Å; S685-L687 PolarHBondContact O-N 3.21Å; S685-D688 CarbonylContact O-C 3.6Å; S685-D688 PolarHBondContact O-N 3.05Å; S685-N689 WeakPolarHBondContact O-CA 3.28Å; S685-N689 WeakPolarHBondContact O-CB 3.37Å; S685-N689 PolarHBondContact O-N 2.75Å; S685-N689 PolarHBondContact O-ND2 3.29Å |
| 686 | L | 68.3 | Low | 61.4 | Low | 10 Ų | 10 | 33.4 Ų | 33.4 | 5% | 0.052 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65.9 | -36.4 | 178.9 | -165.1 | 113.5 | 0 | 0 | 0 | 112.7 | V566 L569 I581 Y682 L683 L684 | V566-L686 HydrophobicContact CB-CD2 4.15Å; V566-L686 HydrophobicContact CG1-CD2 4.15Å; V566-L686 HydrophobicContact CG2-CD2 3.7Å; V566-L686 HydrophobicContact CG2-CG 4.16Å; L569-L686 HydrophobicContact CD2-CD2 3.75Å; I581-L686 HydrophobicContact CD1-CD1 4.06Å; I581-L686 HydrophobicContact CG2-CD1 4.33Å; Y682-L686 HydrophobicContact CE1-CD1 4.36Å; Y682-L686 PolarHBondContact O-N 2.98Å; L683-L686 WeakPolarHBondContact O-CB 3.34Å; L683-L686 PolarHBondContact O-N 2.88Å; L684-L686 VanDerWaalsContact C-N 3.31Å; L684-L686 PolarHBondContact O-N 2.78Å |
| 687 | L | 73.1 | Confident | 59.3 | Low | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -72.1 | -42.2 | 173.8 | -74.5 | 168.2 | 0 | 0 | 0 | 111.9 | V566 L683 L684 S685 N689 R774 F777 A778 L781 L840 L843 | V566-L687 HydrophobicContact CG1-CD2 4.21Å; L683-L687 WeakPolarHBondContact O-CB 3.29Å; L683-L687 WeakPolarHBondContact O-CG 3.28Å; L683-L687 PolarHBondContact O-N 2.75Å; L684-L687 PolarHBondContact O-N 3.44Å; S685-L687 PolarHBondContact O-N 3.21Å; L687-N689 VanDerWaalsContact C-N 3.28Å; L687-R774 HydrophobicContact CD2-CB 4.32Å; L687-F777 HydrophobicContact CD2-CB 4.34Å; L687-F777 HydrophobicContact CD2-CD1 3.78Å; L687-F777 HydrophobicContact CD2-CE1 4.48Å; L687-F777 HydrophobicContact CD2-CG 4.34Å; L687-F777 HydrophobicContact CG-CD1 4.31Å; L687-A778 HydrophobicContact CD1-CB 3.96Å; L687-A778 HydrophobicContact CD2-CB 4.48Å; L687-L781 HydrophobicContact CD1-CD2 4.27Å; L687-L840 HydrophobicContact CD1-CD2 4.28Å; L687-L843 HydrophobicContact CB-CD1 4.05Å; L687-L843 HydrophobicContact CB-CD2 3.86Å; L687-L843 HydrophobicContact CD1-CD2 4.32Å; L687-L843 HydrophobicContact CD2-CD2 4.47Å; L687-L843 HydrophobicContact CG-CD2 4.45Å |
| 688 | D | 63 | Low | 57.1 | Low | 44 Ų | 44 | 38 Ų | 38 | 24% | 0.235 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66.3 | -31 | 175.1 | -85.4 | -12.2 | 0 | 0 | 0 | 111.6 | L684 S685 C690 R839 L843 | L684-D688 VanDerWaalsContact O-CB 3.25Å; L684-D688 WeakPolarHBondContact O-CB 3.35Å; L684-D688 PolarHBondContact O-N 3.07Å; S685-D688 CarbonylContact O-C 3.6Å; S685-D688 PolarHBondContact O-N 3.05Å; D688-C690 PolarHBondContact O-N 3.08Å; D688-R839 IonicContact OD1-CZ 2.85Å; D688-R839 IonicContact OD1-NE 3.18Å; D688-R839 PolarHBondContact OD1-NE 2.97Å; D688-R839 IonicContact OD1-NH2 3.36Å; D688-R839 IonicContact OD2-CZ 3.27Å; D688-R839 VanDerWaalsContact OD2-CZ 3.3Å; D688-R839 IonicContact OD2-NE 2.7Å; D688-R839 PolarHBondContact OD2-NE 2.8Å; D688-R839 IonicContact OD2-NH2 3.76Å; D688-R839 PolarHBondContact OD2-NH2 2.85Å; D688-L843 WeakPolarHBondContact OD1-CD1 3.4Å |
| 689 | N | 56.4 | Low | 55.1 | Low | 36 Ų | 36 | 40.8 Ų | 40.8 | 19% | 0.193 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -69.6 | 46.5 | -179.7 | -79.9 | -35.6 | 0 | 0 | 0 | 113.2 | S685 L687 D691 I692 | S685-N689 WeakPolarHBondContact O-CA 3.28Å; S685-N689 WeakPolarHBondContact O-CB 3.37Å; S685-N689 PolarHBondContact O-N 2.75Å; S685-N689 PolarHBondContact O-ND2 3.29Å; L687-N689 VanDerWaalsContact C-N 3.28Å; N689-D691 PolarHBondContact O-N 3.37Å; N689-I692 HydrophobicContact CB-CB 4Å; N689-I692 HydrophobicContact CB-CD1 3.92Å; N689-I692 HydrophobicContact CB-CG1 3.79Å; N689-I692 VanDerWaalsContact CG-CG1 3.46Å; N689-I692 WeakPolarHBondContact ND2-CD1 3.27Å; N689-I692 PolarHBondContact O-N 3.09Å |
| 690 | C | 50.7 | Low | 52.7 | Low | 15 Ų | 15 | 45.7 Ų | 45.7 | 10% | 0.101 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -44.1 | -26.4 | 136.1 | -64.4 | 0 | 0 | 0 | 0 | 111.4 | D688 R774 S951 | D688-C690 PolarHBondContact O-N 3.08Å; C690-R774 PolarHBondContact SG-NH1 2.72Å; C690-R774 VanDerWaalsContact SG-NH1 3.43Å; C690-S951 PolarHBondContact SG-OG 2.99Å |
| 691 | D | 41.4 | Very low | 50.2 | Low | 74 Ų | 74 | 50.7 Ų | 50.7 | 40% | 0.396 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | -79.3 | -20.4 | 177.4 | -71.7 | -25.6 | 0 | 0 | 0 | 117 | N689 M693 N694 | N689-D691 PolarHBondContact O-N 3.37Å; D691-M693 PolarHBondContact O-N 3.35Å; D691-M693 VanDerWaalsContact O-N 3.13Å; D691-N694 WeakPolarHBondContact O-CA 3.32Å; D691-N694 WeakPolarHBondContact O-CB 2.99Å; D691-N694 PolarHBondContact O-N 3.44Å; D691-N694 PolarHBondContact O-ND2 3.04Å |
| 692 | I | 35.4 | Very low | 48.1 | Very low | 41 Ų | 41 | 51.6 Ų | 51.6 | 21% | 0.21 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -70.8 | -9.6 | 179.3 | -80.6 | 176.5 | 0 | 0 | 0 | 113.3 | I581 N689 N694 K695 | I581-I692 HydrophobicContact CG2-CD1 4.26Å; N689-I692 HydrophobicContact CB-CB 4Å; N689-I692 HydrophobicContact CB-CD1 3.92Å; N689-I692 HydrophobicContact CB-CG1 3.79Å; N689-I692 VanDerWaalsContact CG-CG1 3.46Å; N689-I692 WeakPolarHBondContact ND2-CD1 3.27Å; N689-I692 PolarHBondContact O-N 3.09Å; I692-N694 PolarHBondContact O-N 2.87Å; I692-K695 PolarHBondContact O-N 2.92Å |
| 693 | M | 36.6 | Very low | 45.9 | Very low | 46 Ų | 46 | 58 Ų | 58 | 23% | 0.227 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -57 | -18.1 | 161.3 | -57.9 | -65.1 | -84.4 | 0 | 0 | 112.5 | D691 S696 N944 S948 | D691-M693 PolarHBondContact O-N 3.35Å; D691-M693 VanDerWaalsContact O-N 3.13Å; M693-S696 PolarHBondContact O-OG 2.82Å; M693-N944 HydrophobicContact CE-CB 3.8Å; M693-N944 WeakPolarHBondContact CE-O 3.25Å; M693-S948 WeakPolarHBondContact CB-OG 3.41Å; M693-S948 VanDerWaalsContact CG-CB 3.43Å; M693-S948 WeakPolarHBondContact CG-OG 3.12Å |
| 694 | N | 34 | Very low | 43.8 | Very low | 59 Ų | 59 | 64.8 Ų | 64.8 | 32% | 0.316 | 35% | 0.353 | S | S | . | . | G | 310 helix | trans | -75.3 | -9.8 | 171.6 | -70 | -29.4 | 0 | 0 | 0 | 115.3 | D691 I692 S696 V697 Q698 | D691-N694 WeakPolarHBondContact O-CA 3.32Å; D691-N694 WeakPolarHBondContact O-CB 2.99Å; D691-N694 PolarHBondContact O-N 3.44Å; D691-N694 PolarHBondContact O-ND2 3.04Å; I692-N694 PolarHBondContact O-N 2.87Å; N694-S696 PolarHBondContact O-N 3.21Å; N694-V697 CarbonylContact O-C 3.4Å; N694-V697 VanDerWaalsContact O-CA 3.26Å; N694-V697 WeakPolarHBondContact O-CA 3.27Å; N694-V697 WeakPolarHBondContact O-CB 3.44Å; N694-V697 PolarHBondContact O-N 3.33Å; N694-Q698 PolarHBondContact O-N 3.35Å |
| 695 | K | 33.4 | Very low | 41.4 | Very low | 77 Ų | 77 | 70.7 Ų | 70.7 | 34% | 0.335 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -67.2 | -22.8 | 177 | -90.5 | -170.3 | 169.1 | -175.6 | 0 | 113.1 | Q582 I692 V697 | Q582-K695 PolarHBondContact O-NZ 3.06Å; I692-K695 PolarHBondContact O-N 2.92Å; K695-V697 PolarHBondContact O-N 3.35Å |
| 696 | S | 38.4 | Very low | 39.3 | Very low | 89 Ų | 89 | 76.4 Ų | 76.4 | 62% | 0.622 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -73.2 | -14.5 | 165.9 | 66.8 | 0 | 0 | 0 | 0 | 113.4 | M693 N694 S699 | M693-S696 PolarHBondContact O-OG 2.82Å; N694-S696 PolarHBondContact O-N 3.21Å; S696-S699 PolarHBondContact O-OG 3.35Å |
| 697 | V | 30.9 | Very low | 37.4 | Very low | 55 Ų | 55 | 82.4 Ų | 82.4 | 33% | 0.333 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -98.5 | -27.5 | 178.2 | -172 | 0 | 0 | 0 | 0 | 112 | N694 K695 S699 L700 Q701 | N694-V697 CarbonylContact O-C 3.4Å; N694-V697 VanDerWaalsContact O-CA 3.26Å; N694-V697 WeakPolarHBondContact O-CA 3.27Å; N694-V697 WeakPolarHBondContact O-CB 3.44Å; N694-V697 PolarHBondContact O-N 3.33Å; K695-V697 PolarHBondContact O-N 3.35Å; V697-S699 PolarHBondContact O-N 3.04Å; V697-L700 WeakPolarHBondContact O-CA 3.33Å; V697-L700 VanDerWaalsContact O-CB 3.28Å; V697-L700 WeakPolarHBondContact O-CB 3.35Å; V697-L700 PolarHBondContact O-N 2.99Å; V697-Q701 PolarHBondContact O-N 2.97Å |
| 698 | Q | 28.6 | Very low | 35.3 | Very low | 94 Ų | 94 | 88.9 Ų | 88.9 | 44% | 0.439 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.5 | -27.6 | 177 | -88.5 | -175 | -15.6 | 0 | 0 | 113.6 | N694 L700 Q701 S702 | N694-Q698 PolarHBondContact O-N 3.35Å; Q698-L700 PolarHBondContact O-N 3.23Å; Q698-Q701 WeakPolarHBondContact O-CA 3.26Å; Q698-Q701 WeakPolarHBondContact O-CB 3.45Å; Q698-Q701 PolarHBondContact O-N 2.9Å; Q698-S702 PolarHBondContact O-N 2.95Å |
| 699 | S | 32.5 | Very low | 33.5 | Very low | 85 Ų | 85 | 93.6 Ų | 93.6 | 59% | 0.594 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.4 | -20.5 | 168.7 | 40.1 | 0 | 0 | 0 | 0 | 113.2 | S696 V697 S702 | S696-S699 PolarHBondContact O-OG 3.35Å; V697-S699 PolarHBondContact O-N 3.04Å; S699-S702 PolarHBondContact O-OG 3.25Å |
| 700 | L | 27.2 | Very low | 32.1 | Very low | 103 Ų | 103 | 97 Ų | 97 | 54% | 0.539 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -89 | -14.3 | 169.5 | -65 | 165.8 | 0 | 0 | 0 | 112.8 | V697 Q698 L703 | V697-L700 WeakPolarHBondContact O-CA 3.33Å; V697-L700 VanDerWaalsContact O-CB 3.28Å; V697-L700 WeakPolarHBondContact O-CB 3.35Å; V697-L700 PolarHBondContact O-N 2.99Å; Q698-L700 PolarHBondContact O-N 3.23Å; L700-L703 WeakPolarHBondContact O-CB 3.47Å; L700-L703 PolarHBondContact O-N 3.23Å; L700-L703 VanDerWaalsContact O-N 3.1Å |
| 701 | Q | 27.3 | Very low | 31 | Very low | 107 Ų | 107 | 102.4 Ų | 102.4 | 50% | 0.5 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -79.7 | -19.2 | 178.6 | -157.8 | 156.2 | 23.8 | 0 | 0 | 114 | V697 Q698 L703 F704 | V697-Q701 PolarHBondContact O-N 2.97Å; Q698-Q701 WeakPolarHBondContact O-CA 3.26Å; Q698-Q701 WeakPolarHBondContact O-CB 3.45Å; Q698-Q701 PolarHBondContact O-N 2.9Å; Q701-L703 PolarHBondContact O-N 2.96Å; Q701-F704 HydrophobicContact CB-CD2 4.06Å; Q701-F704 HydrophobicContact CG-CB 4.23Å; Q701-F704 HydrophobicContact CG-CD2 3.96Å; Q701-F704 WeakPolarHBondContact O-CA 3.33Å; Q701-F704 WeakPolarHBondContact O-CB 3.44Å; Q701-F704 PolarHBondContact O-N 3.47Å |
| 702 | S | 31.5 | Very low | 30.1 | Very low | 96 Ų | 96 | 109.8 Ų | 109.8 | 67% | 0.671 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.3 | -11.8 | 162.2 | 68.6 | 0 | 0 | 0 | 0 | 113.7 | Q698 S699 | Q698-S702 PolarHBondContact O-N 2.95Å; S699-S702 PolarHBondContact O-OG 3.25Å |
| 703 | L | 29.3 | Very low | 29.5 | Very low | 139 Ų | 139 | 116.5 Ų | 116.5 | 73% | 0.728 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.5 | -11 | 167.8 | -137.5 | 89 | 0 | 0 | 0 | 112.7 | L700 Q701 | L700-L703 WeakPolarHBondContact O-CB 3.47Å; L700-L703 PolarHBondContact O-N 3.23Å; L700-L703 VanDerWaalsContact O-N 3.1Å; Q701-L703 PolarHBondContact O-N 2.96Å |
| 704 | F | 33.8 | Very low | 28.9 | Very low | 143 Ų | 143 | 122 Ų | 122 | 63% | 0.627 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -99.3 | -4.1 | -176.4 | -65.4 | -54.6 | 0 | 0 | 0 | 114 | Q701 M706 | Q701-F704 HydrophobicContact CB-CD2 4.06Å; Q701-F704 HydrophobicContact CG-CB 4.23Å; Q701-F704 HydrophobicContact CG-CD2 3.96Å; Q701-F704 WeakPolarHBondContact O-CA 3.33Å; Q701-F704 WeakPolarHBondContact O-CB 3.44Å; Q701-F704 PolarHBondContact O-N 3.47Å; F704-M706 PolarHBondContact O-N 3.27Å; F704-M706 VanDerWaalsContact O-N 3.16Å |
| 705 | D | 26.3 | Very low | 28.3 | Very low | 143 Ų | 143 | 128.2 Ų | 128.2 | 77% | 0.765 | 68% | 0.681 | S | S | * | * | trans | -81.8 | 28.9 | 170.4 | -87.1 | -15.8 | 0 | 0 | 0 | 112.8 | D707 | D705-D707 PolarHBondContact O-N 3.15Š| ||
| 706 | M | 27.8 | Very low | 27.8 | Very low | 148 Ų | 148 | 133.1 Ų | 133.1 | 73% | 0.729 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -86.5 | 92.7 | 166.1 | -75.6 | -90.3 | 58.1 | 0 | 0 | 109.2 | F704 T708 | F704-M706 PolarHBondContact O-N 3.27Å; F704-M706 VanDerWaalsContact O-N 3.16Å; M706-T708 PolarHBondContact O-N 3.22Å |
| 707 | D | 27.8 | Very low | 27.1 | Very low | 135 Ų | 135 | 136 Ų | 136 | 72% | 0.722 | 71% | 0.712 | S | S | * | * | trans | 9.7 | 101.8 | 164.5 | -73.3 | -38.4 | 0 | 0 | 0 | 115.6 | D705 N709 | D705-D707 PolarHBondContact O-N 3.15Å; D707-N709 PolarHBondContact O-N 2.92Å | ||
| 708 | T | 28.9 | Very low | 26.8 | Very low | 137 Ų | 137 | 139.8 Ų | 139.8 | 84% | 0.84 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -71.1 | 39.9 | 175.8 | 54.4 | 0 | 0 | 0 | 0 | 113.8 | M706 | M706-T708 PolarHBondContact O-N 3.22Š|
| 709 | N | 26.2 | Very low | 26.6 | Very low | 144 Ų | 144 | 142.7 Ų | 142.7 | 77% | 0.77 | 75% | 0.754 | S | S | * | * | trans | -123.6 | 22.1 | -175.5 | -92.9 | -2.4 | 0 | 0 | 0 | 115 | D707 T711 | D707-N709 PolarHBondContact O-N 2.92Å; N709-T711 PolarHBondContact O-N 3.25Å | ||
| 710 | S | 26.3 | Very low | 26.1 | Very low | 107 Ų | 107 | 148.1 Ų | 148.1 | 75% | 0.748 | 77% | 0.77 | S | S | * | * | trans | -94 | 87 | 161.2 | 63.6 | 0 | 0 | 0 | 0 | 109.3 | Y712 | S710-Y712 PolarHBondContact O-N 3.42Š| ||
| 711 | T | 26.4 | Very low | 26 | Very low | 129 Ų | 129 | 147.4 Ų | 147.4 | 79% | 0.791 | 77% | 0.773 | S | S | * | * | trans | -50.1 | 124.4 | 167.7 | 39.2 | 0 | 0 | 0 | 0 | 110.3 | N709 E713 | N709-T711 PolarHBondContact O-N 3.25Å; T711-E713 PolarHBondContact O-N 3.26Å; T711-E713 VanDerWaalsContact O-N 3.1Å | ||
| 712 | Y | 23.3 | Very low | 25.7 | Very low | 229 Ų | 229 | 154.1 Ų | 154.1 | 90% | 0.898 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -51.9 | 105 | 161.8 | -104.7 | -106.9 | 0 | 0 | 0 | 109.3 | S710 | S710-Y712 PolarHBondContact O-N 3.42Š|
| 713 | E | 23.9 | Very low | 25.4 | Very low | 182 Ų | 182 | 160.3 Ų | 160.3 | 85% | 0.85 | 80% | 0.804 | S | S | * | * | trans | -179.2 | 138.8 | 145.7 | -98.8 | 162.5 | -158.7 | 0 | 0 | 106.6 | T711 | T711-E713 PolarHBondContact O-N 3.26Å; T711-E713 VanDerWaalsContact O-N 3.1Å | ||
| 714 | D | 24 | Very low | 25 | Very low | 162 Ų | 162 | 160.7 Ų | 160.7 | 87% | 0.866 | 81% | 0.807 | S | S | * | * | trans | 79.9 | 69.8 | -178 | -54.4 | -20 | 0 | 0 | 0 | 117.9 | ||||
| 715 | M | 21.1 | Very low | 24.5 | Very low | 189 Ų | 189 | 161.6 Ų | 161.6 | 93% | 0.931 | 82% | 0.819 | S | S | * | * | trans | -149.5 | 65.1 | 144 | -137.3 | 174.1 | 60.7 | 0 | 0 | 112.1 | I717 | M715-I717 PolarHBondContact O-N 2.72Š| ||
| 716 | E | 22.5 | Very low | 24.3 | Very low | 179 Ų | 179 | 160.6 Ų | 160.6 | 84% | 0.836 | 82% | 0.823 | S | S | * | * | trans | -69.1 | 112.3 | 155.9 | -81.9 | -172 | 155.2 | 0 | 0 | 109.8 | ||||
| 717 | I | 23.9 | Very low | 24 | Very low | 150 Ų | 150 | 165.1 Ų | 165.1 | 77% | 0.769 | 83% | 0.832 | S | S | * | * | trans | 42.5 | 88.9 | 133.4 | -47.1 | 172 | 0 | 0 | 0 | 115.8 | M715 | M715-I717 PolarHBondContact O-N 2.72Š| ||
| 718 | T | 24.7 | Very low | 23.7 | Very low | 134 Ų | 134 | 163.8 Ų | 163.8 | 82% | 0.822 | 83% | 0.833 | S | S | * | * | trans | -138 | 79.9 | 147.2 | 42.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 719 | N | 24.3 | Very low | 23.4 | Very low | 156 Ų | 156 | 165.3 Ų | 165.3 | 83% | 0.834 | 83% | 0.834 | S | S | * | * | trans | -137.8 | 58.3 | 160.6 | -103.6 | -20.2 | 0 | 0 | 0 | 110 | ||||
| 720 | Q | 22.4 | Very low | 23.2 | Very low | 199 Ų | 199 | 161.5 Ų | 161.5 | 93% | 0.93 | 83% | 0.829 | S | S | * | * | trans | -89.8 | 76.5 | 156.8 | -78.5 | -171.2 | -0.6 | 0 | 0 | 109.3 | ||||
| 721 | S | 23.9 | Very low | 23.1 | Very low | 87 Ų | 87 | 165.2 Ų | 165.2 | 61% | 0.608 | 84% | 0.835 | S | S | * | * | S | Bend | trans | -167.1 | 136.4 | 146.3 | 60.6 | 0 | 0 | 0 | 0 | 107.2 | ||
| 722 | W | 21.9 | Very low | 22.9 | Very low | 248 Ų | 248 | 170.2 Ų | 170.2 | 94% | 0.939 | 84% | 0.839 | S | S | * | * | S | Bend | trans | 111.5 | 10 | -179.3 | -63.1 | 28.8 | 0 | 0 | 0 | 116.3 | ||
| 723 | Y | 24.2 | Very low | 22.9 | Very low | 226 Ų | 226 | 165 Ų | 165 | 89% | 0.886 | 83% | 0.831 | S | S | * | * | S | Bend | trans | -102.9 | 6.6 | 168.8 | -122.1 | -81.2 | 0 | 0 | 0 | 116.3 | ||
| 724 | N | 22 | Very low | 22.8 | Very low | 147 Ų | 147 | 161.6 Ų | 161.6 | 79% | 0.786 | 83% | 0.827 | S | S | * | * | S | Bend | trans | -135.9 | 92.8 | 174.8 | -80.6 | -33 | 0 | 0 | 0 | 109.7 | ||
| 725 | N | 23 | Very low | 22.7 | Very low | 162 Ų | 162 | 158.8 Ų | 158.8 | 87% | 0.866 | 82% | 0.82 | S | S | * | * | trans | 175.9 | 87.7 | 142.3 | -87.1 | -20.8 | 0 | 0 | 0 | 109.9 | ||||
| 726 | S | 22.4 | Very low | 22.8 | Very low | 122 Ų | 122 | 159.3 Ų | 159.3 | 85% | 0.853 | 82% | 0.818 | S | S | * | * | trans | 170.1 | 79.4 | 135.3 | 42.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 727 | R | 20.4 | Very low | 22.8 | Very low | 244 Ų | 244 | 158.3 Ų | 158.3 | 92% | 0.921 | 82% | 0.817 | S | S | * | * | trans | -67.9 | 146.7 | 144.8 | -91.5 | -178.3 | 173.9 | 177.4 | -1.3 | 108.2 | ||||
| 728 | S | 23 | Very low | 23.2 | Very low | 107 Ų | 107 | 156 Ų | 156 | 75% | 0.748 | 81% | 0.812 | S | S | * | * | trans | 64.4 | 108.3 | 166.8 | 72.4 | 0 | 0 | 0 | 0 | 117 | ||||
| 729 | I | 22.5 | Very low | 23.3 | Very low | 169 Ų | 169 | 156.6 Ų | 156.6 | 87% | 0.867 | 82% | 0.815 | S | S | * | * | -155.2 | 115.1 | 126.4 | -105.8 | 140.7 | 0 | 0 | 0 | 108.8 | |||||
| 730 | G | 21.2 | Very low | 23.5 | Very low | 64 Ų | 64 | 156.8 Ų | 156.8 | 66% | 0.66 | 82% | 0.816 | S | S | * | * | trans | -77.2 | 156.2 | 159 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 731 | E | 23.1 | Very low | 23.8 | Very low | 185 Ų | 185 | 150.4 Ų | 150.4 | 86% | 0.864 | 80% | 0.804 | S | S | * | * | trans | 55.6 | 100.1 | 158 | -61.4 | -176.1 | 169.9 | 0 | 0 | 117.6 | ||||
| 732 | R | 23.5 | Very low | 24 | Very low | 233 Ų | 233 | 155.7 Ų | 155.7 | 88% | 0.879 | 82% | 0.819 | S | S | * | * | -178.7 | 120.9 | 112.4 | -98.3 | 171.4 | -169.5 | -169.4 | 3.7 | 112.1 | |||||
| 733 | T | 23.8 | Very low | 24.4 | Very low | 120 Ų | 120 | 149.8 Ų | 149.8 | 74% | 0.736 | 81% | 0.81 | S | S | * | * | trans | 27.2 | 123.9 | 134.1 | 58.5 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 734 | S | 21.4 | Very low | 24.6 | Very low | 110 Ų | 110 | 145 Ų | 145 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | trans | 83.7 | 126.3 | 141.8 | 66.9 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 735 | S | 22 | Very low | 25.1 | Very low | 103 Ų | 103 | 142.8 Ų | 142.8 | 72% | 0.72 | 79% | 0.787 | S | S | * | * | trans | 84.8 | 107.2 | 154.3 | 65.1 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 736 | F | 22.4 | Very low | 25.8 | Very low | 200 Ų | 200 | 143.4 Ų | 143.4 | 88% | 0.877 | 78% | 0.782 | S | S | * | * | trans | 44.8 | 118.4 | 137.4 | -67.6 | -87.1 | 0 | 0 | 0 | 117.6 | ||||
| 737 | I | 23 | Very low | 26.4 | Very low | 158 Ų | 158 | 144.5 Ų | 144.5 | 81% | 0.81 | 77% | 0.774 | S | S | * | * | -172.1 | 154 | 82.2 | -83.4 | 172.8 | 0 | 0 | 0 | 108.3 | |||||
| 738 | P | 32.9 | Very low | 27.1 | Very low | 103 Ų | 103 | 135 Ų | 135 | 67% | 0.669 | 74% | 0.744 | S | S | * | * | trans | -94.3 | 143.2 | -149.7 | 35.4 | -28.5 | 0 | 0 | 0 | 115 | N740 | P738-N740 PolarHBondContact O-N 2.87Š| ||
| 739 | T | 27.1 | Very low | 27.9 | Very low | 145 Ų | 145 | 135.3 Ų | 135.3 | 89% | 0.89 | 73% | 0.732 | S | S | * | * | trans | -79.1 | 97.4 | 166.1 | 48.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 740 | N | 27.2 | Very low | 28.7 | Very low | 160 Ų | 160 | 132.8 Ų | 132.8 | 86% | 0.856 | 72% | 0.715 | S | S | * | * | trans | -67.4 | 129.8 | 162.4 | -88.7 | -20.2 | 0 | 0 | 0 | 110 | P738 | P738-N740 PolarHBondContact O-N 2.87Š| ||
| 741 | G | 28.2 | Very low | 29.3 | Very low | 65 Ų | 65 | 133.5 Ų | 133.5 | 67% | 0.67 | 70% | 0.7 | S | S | * | * | S | Bend | trans | 134.3 | 110 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 742 | Q | 28.6 | Very low | 30.1 | Very low | 199 Ų | 199 | 126.7 Ų | 126.7 | 93% | 0.93 | 67% | 0.671 | S | S | * | * | trans | 93.7 | 74.8 | 174 | -50.6 | 178.1 | -3.5 | 0 | 0 | 117.5 | ||||
| 743 | T | 29.8 | Very low | 30.9 | Very low | 123 Ų | 123 | 124.8 Ų | 124.8 | 76% | 0.755 | 66% | 0.664 | S | S | * | * | trans | -136.2 | 6.3 | 158.6 | 45.5 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 744 | I | 28.7 | Very low | 31.7 | Very low | 126 Ų | 126 | 126 Ų | 126 | 65% | 0.646 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82 | -22 | -175.9 | -61.3 | 174.5 | 0 | 0 | 0 | 112.9 | K746 E747 | I744-K746 VanDerWaalsContact C-N 3.25Å; I744-K746 PolarHBondContact O-N 3.36Å; I744-E747 PolarHBondContact O-N 2.96Å |
| 745 | D | 33.7 | Very low | 32.7 | Very low | 100 Ų | 100 | 122 Ų | 122 | 54% | 0.535 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -74.7 | -11.6 | -175.3 | -149.3 | 43.5 | 0 | 0 | 0 | 114.4 | K749 | D745-K749 IonicContact OD2-NZ 3.71Å; D745-K749 PolarHBondContact OD2-NZ 2.92Å |
| 746 | K | 37.6 | Very low | 33.9 | Very low | 176 Ų | 176 | 120 Ų | 120 | 77% | 0.765 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -87.5 | -21.8 | 177.8 | -80.9 | -177.1 | 179 | 173.7 | 0 | 113.9 | I744 K750 | I744-K746 VanDerWaalsContact C-N 3.25Å; I744-K746 PolarHBondContact O-N 3.36Å; K746-K750 WeakPolarHBondContact O-CB 3.45Å; K746-K750 PolarHBondContact O-N 3.44Å |
| 747 | E | 33.7 | Very low | 35.3 | Very low | 145 Ų | 145 | 116.6 Ų | 116.6 | 68% | 0.678 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -86.8 | -41.7 | -173 | -69.3 | -164.1 | 151.4 | 0 | 0 | 113.1 | I744 K750 F751 | I744-E747 PolarHBondContact O-N 2.96Å; E747-K750 VanDerWaalsContact O-CB 3.32Å; E747-K750 WeakPolarHBondContact O-CB 3.5Å; E747-K750 PolarHBondContact O-N 2.96Å; E747-K750 VanDerWaalsContact O-N 3.14Å; E747-F751 PolarHBondContact O-N 3Å |
| 748 | S | 35.6 | Very low | 36.5 | Very low | 44 Ų | 44 | 112.3 Ų | 112.3 | 31% | 0.308 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -66.9 | -41.3 | 177.5 | 62.2 | 0 | 0 | 0 | 0 | 112.4 | K750 F751 T752 | S748-K750 PolarHBondContact O-N 2.53Å; S748-F751 WeakPolarHBondContact O-CB 3.29Å; S748-F751 PolarHBondContact O-N 3.03Å; S748-T752 PolarHBondContact O-N 3.31Å; S748-T752 VanDerWaalsContact O-N 3.16Å |
| 749 | K | 40 | Very low | 37.6 | Very low | 114 Ų | 114 | 108.4 Ų | 108.4 | 50% | 0.496 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -63.3 | -29.2 | 171.4 | -74.9 | 175.6 | -179.5 | 154.3 | 0 | 112.6 | D745 | D745-K749 IonicContact OD2-NZ 3.71Å; D745-K749 PolarHBondContact OD2-NZ 2.92Å |
| 750 | K | 38.5 | Very low | 39.2 | Very low | 115 Ų | 115 | 102.1 Ų | 102.1 | 50% | 0.5 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -72.2 | -35.6 | 172.1 | -127.9 | 175.8 | -178.7 | 177.3 | 0 | 110.9 | K746 E747 S748 K754 | K746-K750 WeakPolarHBondContact O-CB 3.45Å; K746-K750 PolarHBondContact O-N 3.44Å; E747-K750 VanDerWaalsContact O-CB 3.32Å; E747-K750 WeakPolarHBondContact O-CB 3.5Å; E747-K750 PolarHBondContact O-N 2.96Å; E747-K750 VanDerWaalsContact O-N 3.14Å; S748-K750 PolarHBondContact O-N 2.53Å; K750-K754 HydrophobicContact CG-CD 4.48Å; K750-K754 WeakPolarHBondContact O-CB 3.3Å; K750-K754 WeakPolarHBondContact O-CD 3.42Å; K750-K754 WeakPolarHBondContact O-CG 3.45Å; K750-K754 PolarHBondContact O-N 3Å; K750-K754 VanDerWaalsContact O-N 3.12Å |
| 751 | F | 34.4 | Very low | 40.8 | Very low | 80 Ų | 80 | 97.9 Ų | 97.9 | 35% | 0.351 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -68.5 | -51.9 | -177.6 | -168.3 | -98.5 | 0 | 0 | 0 | 112 | E747 S748 R753 K754 L755 W939 F942 | E747-F751 PolarHBondContact O-N 3Å; S748-F751 WeakPolarHBondContact O-CB 3.29Å; S748-F751 PolarHBondContact O-N 3.03Å; F751-R753 VanDerWaalsContact C-N 3.34Å; F751-R753 PolarHBondContact O-N 3.37Å; F751-K754 PolarHBondContact O-N 3.36Å; F751-L755 HydrophobicContact CE1-CD1 4.46Å; F751-L755 HydrophobicContact CE1-CD2 4.22Å; F751-L755 HydrophobicContact CZ-CD2 4.39Å; F751-L755 PolarHBondContact O-N 3.19Å; F751-W939 HydrophobicContact CE1-CE3 4.38Å; F751-W939 HydrophobicContact CE1-CZ3 4.11Å; F751-W939 HydrophobicContact CZ-CE3 4.01Å; F751-W939 HydrophobicContact CZ-CZ3 4.1Å; F751-F942 HydrophobicContact CD1-CD2 4.48Å; F751-F942 HydrophobicContact CD1-CE2 4.29Å; F751-F942 HydrophobicContact CE1-CD1 4.28Å; F751-F942 AromaticContact CE1-CD2 3.98Å; F751-F942 HydrophobicContact CE1-CD2 3.98Å; F751-F942 HydrophobicContact CE1-CE1 4.36Å; F751-F942 HydrophobicContact CE1-CE2 4.07Å; F751-F942 HydrophobicContact CE1-CG 4.08Å; F751-F942 HydrophobicContact CE1-CZ 4.24Å |
| 752 | T | 40.7 | Very low | 42.3 | Very low | 42 Ų | 42 | 95.2 Ų | 95.2 | 26% | 0.258 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62.4 | -38 | 179.7 | 51.4 | 0 | 0 | 0 | 0 | 112.9 | S748 K754 | S748-T752 PolarHBondContact O-N 3.31Å; S748-T752 VanDerWaalsContact O-N 3.16Å; T752-K754 VanDerWaalsContact C-N 3.3Å; T752-K754 PolarHBondContact O-N 3.17Å |
| 753 | R | 40.1 | Very low | 44 | Very low | 192 Ų | 192 | 85.7 Ų | 85.7 | 73% | 0.725 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -72.7 | -18.1 | 174.6 | -73.2 | -175.8 | -179 | 171.9 | 1.2 | 114.2 | F751 | F751-R753 VanDerWaalsContact C-N 3.34Å; F751-R753 PolarHBondContact O-N 3.37Å |
| 754 | K | 39.3 | Very low | 46.1 | Very low | 147 Ų | 147 | 80.8 Ų | 80.8 | 64% | 0.639 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -93.1 | -5.5 | 179.4 | -83.5 | 179.8 | 170.4 | -162.6 | 0 | 113.8 | K750 F751 T752 S756 | K750-K754 HydrophobicContact CG-CD 4.48Å; K750-K754 WeakPolarHBondContact O-CB 3.3Å; K750-K754 WeakPolarHBondContact O-CD 3.42Å; K750-K754 WeakPolarHBondContact O-CG 3.45Å; K750-K754 PolarHBondContact O-N 3Å; K750-K754 VanDerWaalsContact O-N 3.12Å; F751-K754 PolarHBondContact O-N 3.36Å; T752-K754 VanDerWaalsContact C-N 3.3Å; T752-K754 PolarHBondContact O-N 3.17Å; K754-S756 PolarHBondContact O-N 3.15Å |
| 755 | L | 44.2 | Very low | 47.9 | Very low | 26 Ų | 26 | 76 Ų | 76 | 14% | 0.136 | 37% | 0.37 | C | S | . | . | trans | -66.7 | 120.1 | 178.4 | -71.2 | 169.1 | 0 | 0 | 0 | 109.8 | F751 W916 W939 F942 | F751-L755 HydrophobicContact CE1-CD1 4.46Å; F751-L755 HydrophobicContact CE1-CD2 4.22Å; F751-L755 HydrophobicContact CZ-CD2 4.39Å; F751-L755 PolarHBondContact O-N 3.19Å; L755-W916 HydrophobicContact CD1-CZ2 4Å; L755-W939 HydrophobicContact CD1-CH2 4.38Å; L755-W939 HydrophobicContact CD1-CZ3 4.31Å; L755-W939 HydrophobicContact CD2-CE3 4.33Å; L755-W939 HydrophobicContact CD2-CH2 3.4Å; L755-W939 HydrophobicContact CD2-CZ3 3.24Å; L755-W939 HydrophobicContact CG-CH2 4.49Å; L755-W939 HydrophobicContact CG-CZ3 4.41Å; L755-F942 HydrophobicContact CD1-CE1 3.72Å; L755-F942 HydrophobicContact CD1-CZ 3.56Å | ||
| 756 | S | 46 | Very low | 49.3 | Very low | 59 Ų | 59 | 71.3 Ų | 71.3 | 41% | 0.413 | 35% | 0.345 | S | S | . | . | trans | -59.2 | 148 | 176.2 | 74.5 | 0 | 0 | 0 | 0 | 110 | K754 S758 S759 V760 | K754-S756 PolarHBondContact O-N 3.15Å; S756-S758 PolarHBondContact O-N 2.95Å; S756-S759 WeakPolarHBondContact O-CA 3.31Å; S756-S759 VanDerWaalsContact O-CB 3.27Å; S756-S759 WeakPolarHBondContact O-CB 3.44Å; S756-S759 PolarHBondContact O-N 2.97Å; S756-S759 PolarHBondContact OG-N 2.88Å; S756-S759 PolarHBondContact OG-OG 3.24Å; S756-V760 PolarHBondContact O-N 3.27Å | ||
| 757 | N | 52.7 | Low | 50.9 | Low | 130 Ų | 130 | 63.3 Ų | 63.3 | 70% | 0.695 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -52.6 | -32 | 174.7 | -71.7 | -15.2 | 0 | 0 | 0 | 112.2 | S759 V760 Q761 | N757-S759 VanDerWaalsContact C-N 3.32Å; N757-S759 PolarHBondContact O-N 2.79Å; N757-V760 PolarHBondContact O-N 3.23Å; N757-Q761 WeakPolarHBondContact O-CB 3.23Å; N757-Q761 PolarHBondContact O-N 3.07Å |
| 758 | S | 48.1 | Very low | 52.8 | Low | 68 Ų | 68 | 56.9 Ų | 56.9 | 48% | 0.476 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -62.2 | -37.2 | 174.6 | -52.9 | 0 | 0 | 0 | 0 | 112.6 | S756 F762 | S756-S758 PolarHBondContact O-N 2.95Å; S758-F762 WeakPolarHBondContact O-CB 3.26Å; S758-F762 PolarHBondContact O-N 2.81Å |
| 759 | S | 54.8 | Low | 54.3 | Low | 20 Ų | 20 | 57.5 Ų | 57.5 | 14% | 0.14 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -66.9 | -41.7 | 175.6 | -52.4 | 0 | 0 | 0 | 0 | 111.6 | S756 N757 F762 I763 | S756-S759 WeakPolarHBondContact O-CA 3.31Å; S756-S759 VanDerWaalsContact O-CB 3.27Å; S756-S759 WeakPolarHBondContact O-CB 3.44Å; S756-S759 PolarHBondContact O-N 2.97Å; S756-S759 PolarHBondContact OG-N 2.88Å; S756-S759 PolarHBondContact OG-OG 3.24Å; N757-S759 VanDerWaalsContact C-N 3.32Å; N757-S759 PolarHBondContact O-N 2.79Å; S759-F762 WeakPolarHBondContact O-CB 3.43Å; S759-F762 PolarHBondContact O-N 2.91Å; S759-I763 WeakPolarHBondContact O-CG1 3.5Å; S759-I763 PolarHBondContact O-N 3.47Å |
| 760 | V | 60.2 | Low | 55.7 | Low | 14 Ų | 14 | 52.3 Ų | 52.3 | 9% | 0.085 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65.6 | -45.4 | 176.5 | -178.2 | 0 | 0 | 0 | 0 | 110.7 | S756 N757 F762 I763 R764 W916 | S756-V760 PolarHBondContact O-N 3.27Å; N757-V760 PolarHBondContact O-N 3.23Å; V760-F762 VanDerWaalsContact C-N 3.27Å; V760-F762 PolarHBondContact O-N 2.66Å; V760-I763 PolarHBondContact O-N 2.83Å; V760-I763 VanDerWaalsContact O-N 3.17Å; V760-R764 PolarHBondContact O-N 2.78Å; V760-W916 HydrophobicContact CG1-CB 4.09Å; V760-W916 HydrophobicContact CG1-CD2 3.99Å; V760-W916 HydrophobicContact CG1-CG 3.61Å; V760-W916 HydrophobicContact CG2-CD2 4.42Å; V760-W916 HydrophobicContact CG2-CG 4.33Å; V760-W916 HydrophobicContact CG2-CZ2 4.47Å; V760-W916 VanDerWaalsContact CG2-NE1 3.32Å |
| 761 | Q | 61.7 | Low | 57.5 | Low | 70 Ų | 70 | 47 Ų | 47 | 33% | 0.327 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -59.1 | -40.1 | 175.1 | -176.2 | 177 | -2.6 | 0 | 0 | 111.5 | N757 R764 L765 | N757-Q761 WeakPolarHBondContact O-CB 3.23Å; N757-Q761 PolarHBondContact O-N 3.07Å; Q761-R764 PolarHBondContact O-N 2.88Å; Q761-L765 HydrophobicContact CG-CD1 3.92Å; Q761-L765 WeakPolarHBondContact O-CB 3.34Å; Q761-L765 VanDerWaalsContact O-CG 3.27Å; Q761-L765 WeakPolarHBondContact O-CG 3.26Å; Q761-L765 PolarHBondContact O-N 3.3Å |
| 762 | F | 59.9 | Low | 59.6 | Low | 9 Ų | 9 | 44.6 Ų | 44.6 | 4% | 0.039 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64.1 | -43.2 | 175.3 | -179.2 | -99.3 | 0 | 0 | 0 | 112.4 | I349 F557 I559 R561 S758 S759 V760 S766 I943 | I349-F762 HydrophobicContact CD1-CD2 4.11Å; F557-F762 HydrophobicContact CE2-CD2 4.32Å; I559-F762 HydrophobicContact CG2-CD2 4.41Å; I559-F762 HydrophobicContact CG2-CE2 3.56Å; I559-F762 HydrophobicContact CG2-CZ 3.94Å; R561-F762 HydrophobicContact CB-CZ 4.32Å; S758-F762 WeakPolarHBondContact O-CB 3.26Å; S758-F762 PolarHBondContact O-N 2.81Å; S759-F762 WeakPolarHBondContact O-CB 3.43Å; S759-F762 PolarHBondContact O-N 2.91Å; V760-F762 VanDerWaalsContact C-N 3.27Å; V760-F762 PolarHBondContact O-N 2.66Å; F762-S766 WeakPolarHBondContact O-CB 3.48Å; F762-S766 PolarHBondContact O-N 3.03Å; F762-S766 PolarHBondContact O-OG 2.76Å; F762-I943 HydrophobicContact CD1-CD1 4.34Å; F762-I943 HydrophobicContact CE1-CD1 3.95Å |
| 763 | I | 64.3 | Low | 61.1 | Low | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.7 | -46 | 175.8 | -68.4 | 166.3 | 0 | 0 | 0 | 110.5 | S759 V760 L765 S766 L767 F912 W916 W939 F942 I943 V946 L947 | S759-I763 WeakPolarHBondContact O-CG1 3.5Å; S759-I763 PolarHBondContact O-N 3.47Å; V760-I763 PolarHBondContact O-N 2.83Å; V760-I763 VanDerWaalsContact O-N 3.17Å; I763-L765 PolarHBondContact O-N 3.18Å; I763-S766 WeakPolarHBondContact O-CB 3.39Å; I763-S766 PolarHBondContact O-N 2.86Å; I763-L767 PolarHBondContact O-N 2.86Å; I763-F912 HydrophobicContact CG2-CE1 4.39Å; I763-F912 HydrophobicContact CG2-CZ 3.99Å; I763-W916 HydrophobicContact CD1-CH2 3.93Å; I763-W916 HydrophobicContact CD1-CZ2 4.45Å; I763-W916 HydrophobicContact CD1-CZ3 4.38Å; I763-W916 HydrophobicContact CG2-CZ3 4.42Å; I763-W939 HydrophobicContact CD1-CH2 4.06Å; I763-W939 HydrophobicContact CD1-CZ2 4.41Å; I763-F942 HydrophobicContact CD1-CE1 4.08Å; I763-I943 HydrophobicContact CG1-CG1 4.43Å; I763-V946 HydrophobicContact CG2-CG1 3.95Å; I763-L947 HydrophobicContact CG2-CD2 4.22Å |
| 764 | R | 73.9 | Confident | 63.1 | Low | 20 Ų | 20 | 35 Ų | 35 | 8% | 0.075 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -57 | -52.3 | 177.9 | 178.5 | 173.9 | 64.8 | 83.2 | 1.7 | 111.9 | V760 Q761 S766 L767 A768 T854 T910 F912 D913 | V760-R764 PolarHBondContact O-N 2.78Å; Q761-R764 PolarHBondContact O-N 2.88Å; R764-S766 VanDerWaalsContact C-N 3.3Å; R764-S766 PolarHBondContact O-N 3.5Å; R764-L767 PolarHBondContact O-N 2.77Å; R764-A768 PolarHBondContact O-N 3.42Å; R764-T854 WeakPolarHBondContact CD-O 3.27Å; R764-T854 PolarHBondContact NH1-O 2.96Å; R764-T910 WeakPolarHBondContact CD-OG1 3.31Å; R764-F912 HydrophobicContact CB-CD1 3.58Å; R764-F912 HydrophobicContact CB-CE1 3.81Å; R764-F912 HydrophobicContact CB-CG 4.41Å; R764-F912 HydrophobicContact CG-CB 4.26Å; R764-F912 HydrophobicContact CG-CD1 3.74Å; R764-F912 HydrophobicContact CG-CE1 4.43Å; R764-F912 HydrophobicContact CG-CG 4.15Å; R764-D913 VanDerWaalsContact CD-OD1 3.25Å; R764-D913 WeakPolarHBondContact CD-OD1 3.3Å; R764-D913 IonicContact CZ-OD2 2.67Å; R764-D913 IonicContact NE-OD1 3.57Å; R764-D913 PolarHBondContact NE-OD1 3.39Å; R764-D913 IonicContact NE-OD2 2.8Å; R764-D913 PolarHBondContact NE-OD2 3.38Å; R764-D913 VanDerWaalsContact NE-OD2 3.17Å |
| 765 | L | 65.4 | Low | 65.2 | Low | 26 Ų | 26 | 28 Ų | 28 | 14% | 0.136 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -67.7 | -34.6 | -178.3 | -66.5 | 168.4 | 0 | 0 | 0 | 111.5 | I349 V366 Q761 I763 L767 A768 E769 | I349-L765 HydrophobicContact CD1-CD1 3.89Å; V366-L765 HydrophobicContact CG2-CB 3.45Å; V366-L765 VanDerWaalsContact CG2-CB 3.45Å; V366-L765 HydrophobicContact CG2-CD1 3.6Å; V366-L765 HydrophobicContact CG2-CD2 4.37Å; V366-L765 HydrophobicContact CG2-CG 3.99Å; Q761-L765 HydrophobicContact CG-CD1 3.92Å; Q761-L765 WeakPolarHBondContact O-CB 3.34Å; Q761-L765 VanDerWaalsContact O-CG 3.27Å; Q761-L765 WeakPolarHBondContact O-CG 3.26Å; Q761-L765 PolarHBondContact O-N 3.3Å; I763-L765 PolarHBondContact O-N 3.18Å; L765-L767 VanDerWaalsContact C-N 3.33Å; L765-L767 PolarHBondContact O-N 3.24Å; L765-A768 PolarHBondContact O-N 2.97Å; L765-E769 PolarHBondContact O-N 3.38Å |
| 766 | S | 64.9 | Low | 67.1 | Low | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61.3 | -39.3 | 172.2 | -73.4 | 0 | 0 | 0 | 0 | 112.9 | R561 F762 I763 R764 S770 | R561-S766 PolarHBondContact NH1-OG 3.12Å; R561-S766 VanDerWaalsContact NH1-OG 3.07Å; F762-S766 WeakPolarHBondContact O-CB 3.48Å; F762-S766 PolarHBondContact O-N 3.03Å; F762-S766 PolarHBondContact O-OG 2.76Å; I763-S766 WeakPolarHBondContact O-CB 3.39Å; I763-S766 PolarHBondContact O-N 2.86Å; R764-S766 VanDerWaalsContact C-N 3.3Å; R764-S766 PolarHBondContact O-N 3.5Å; S766-S770 VanDerWaalsContact O-CB 3.27Å; S766-S770 WeakPolarHBondContact O-CB 3.27Å; S766-S770 PolarHBondContact O-N 3.11Å; S766-S770 VanDerWaalsContact O-N 3.09Å |
| 767 | L | 70.8 | Confident | 68.9 | Low | 9 Ų | 9 | 24.2 Ų | 24.2 | 5% | 0.047 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -70 | -39.4 | 175.5 | -174.8 | 61.6 | 0 | 0 | 0 | 111.7 | I763 R764 L765 S770 T771 T854 F912 L947 F950 | I763-L767 PolarHBondContact O-N 2.86Å; R764-L767 PolarHBondContact O-N 2.77Å; L765-L767 VanDerWaalsContact C-N 3.33Å; L765-L767 PolarHBondContact O-N 3.24Å; L767-S770 PolarHBondContact O-N 2.74Å; L767-T771 HydrophobicContact CD1-CG2 4.28Å; L767-T771 WeakPolarHBondContact O-CB 3.23Å; L767-T771 WeakPolarHBondContact O-CG2 3.47Å; L767-T771 PolarHBondContact O-N 3.39Å; L767-T771 PolarHBondContact O-OG1 2.78Å; L767-T854 HydrophobicContact CB-CG2 4.07Å; L767-T854 HydrophobicContact CD2-CG2 3.69Å; L767-T854 HydrophobicContact CG-CG2 3.87Å; L767-F912 HydrophobicContact CD2-CD2 3.89Å; L767-F912 HydrophobicContact CD2-CE2 3.56Å; L767-F912 HydrophobicContact CD2-CZ 4.44Å; L767-L947 HydrophobicContact CB-CD2 3.61Å; L767-L947 HydrophobicContact CD1-CD2 3.83Å; L767-L947 HydrophobicContact CG-CD2 4.22Å; L767-F950 HydrophobicContact CD2-CB 4.4Å |
| 768 | A | 72.4 | Confident | 70.6 | Confident | 10 Ų | 10 | 18 Ų | 18 | 8% | 0.083 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -60.1 | -49.6 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | R764 L765 T771 E772 H851 T854 | R764-A768 PolarHBondContact O-N 3.42Å; L765-A768 PolarHBondContact O-N 2.97Å; A768-T771 PolarHBondContact O-N 2.81Å; A768-T771 PolarHBondContact O-OG1 2.89Å; A768-E772 VanDerWaalsContact O-CB 3.32Å; A768-E772 WeakPolarHBondContact O-CB 3.49Å; A768-E772 PolarHBondContact O-N 3.19Å; A768-H851 PolarHBondContact O-ND1 3.39Å; A768-T854 WeakPolarHBondContact CA-OG1 3.48Å; A768-T854 VanDerWaalsContact CB-OG1 3.22Å; A768-T854 WeakPolarHBondContact CB-OG1 3.44Å |
| 769 | E | 67.7 | Low | 72.6 | Confident | 57 Ų | 57 | 14.8 Ų | 14.8 | 27% | 0.266 | 7% | 0.074 | S | C | . | . | H | α-helix | trans | -64.5 | -42.2 | 177.2 | -77.6 | -71.6 | 159.2 | 0 | 0 | 112.2 | W347 V366 L765 T771 E772 T773 | W347-E769 HydrophobicContact CZ3-CB 4.39Å; W347-E769 HydrophobicContact CZ3-CG 4.37Å; V366-E769 HydrophobicContact CB-CG 4.44Å; L765-E769 PolarHBondContact O-N 3.38Å; E769-T771 PolarHBondContact O-N 3.13Å; E769-E772 PolarHBondContact O-N 3.44Å; E769-T773 WeakPolarHBondContact O-CG2 3.46Å; E769-T773 PolarHBondContact O-N 3.43Å; E769-T773 PolarHBondContact O-OG1 2.84Å |
| 770 | S | 70.2 | Confident | 74.1 | Confident | 4 Ų | 4 | 13.9 Ų | 13.9 | 3% | 0.028 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -64.2 | -41.4 | 177.9 | -179.1 | 0 | 0 | 0 | 0 | 112 | Q564 S766 L767 T773 R774 | Q564-S770 PolarHBondContact OE1-OG 3Å; S766-S770 VanDerWaalsContact O-CB 3.27Å; S766-S770 WeakPolarHBondContact O-CB 3.27Å; S766-S770 PolarHBondContact O-N 3.11Å; S766-S770 VanDerWaalsContact O-N 3.09Å; L767-S770 PolarHBondContact O-N 2.74Å; S770-T773 PolarHBondContact O-OG1 2.73Å; S770-R774 WeakPolarHBondContact O-CD 3.47Å; S770-R774 WeakPolarHBondContact O-CG 3.46Å; S770-R774 PolarHBondContact O-N 3.37Å |
| 771 | T | 75.7 | Confident | 75.4 | Confident | 3 Ų | 3 | 13.2 Ų | 13.2 | 2% | 0.018 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -69.1 | -39.3 | 175.6 | 49.7 | 0 | 0 | 0 | 0 | 111.6 | L767 A768 E769 R774 I775 L847 L850 | L767-T771 HydrophobicContact CD1-CG2 4.28Å; L767-T771 WeakPolarHBondContact O-CB 3.23Å; L767-T771 WeakPolarHBondContact O-CG2 3.47Å; L767-T771 PolarHBondContact O-N 3.39Å; L767-T771 PolarHBondContact O-OG1 2.78Å; A768-T771 PolarHBondContact O-N 2.81Å; A768-T771 PolarHBondContact O-OG1 2.89Å; E769-T771 PolarHBondContact O-N 3.13Å; T771-R774 PolarHBondContact O-N 2.97Å; T771-I775 WeakPolarHBondContact O-CD1 3.39Å; T771-I775 VanDerWaalsContact O-CG1 3.23Å; T771-I775 WeakPolarHBondContact O-CG1 3.49Å; T771-I775 PolarHBondContact O-N 2.84Å; T771-L847 HydrophobicContact CG2-CD2 4.49Å; T771-L850 HydrophobicContact CG2-CB 4.01Å |
| 772 | E | 78.1 | Confident | 76.6 | Confident | 31 Ų | 31 | 9.9 Ų | 9.9 | 15% | 0.145 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -61.8 | -50.1 | 177.6 | 178.7 | 166.8 | 175 | 0 | 0 | 112.4 | K619 F623 A768 E769 R774 I775 L776 H851 | K619-E772 WeakPolarHBondContact CE-OE1 3.15Å; K619-E772 IonicContact NZ-OE1 2.66Å; K619-E772 PolarHBondContact NZ-OE1 2.9Å; F623-E772 HydrophobicContact CE1-CB 4.1Å; F623-E772 HydrophobicContact CE1-CG 3.73Å; F623-E772 HydrophobicContact CE2-CG 4.41Å; F623-E772 HydrophobicContact CZ-CB 4.48Å; F623-E772 HydrophobicContact CZ-CG 3.68Å; A768-E772 VanDerWaalsContact O-CB 3.32Å; A768-E772 WeakPolarHBondContact O-CB 3.49Å; A768-E772 PolarHBondContact O-N 3.19Å; E769-E772 PolarHBondContact O-N 3.44Å; E772-R774 VanDerWaalsContact C-N 3.3Å; E772-R774 PolarHBondContact O-N 3.19Å; E772-I775 PolarHBondContact O-N 3.3Å; E772-L776 HydrophobicContact CG-CD1 4.42Å; E772-L776 WeakPolarHBondContact O-CG 3.1Å; E772-L776 PolarHBondContact O-N 3.41Å; E772-H851 IonicContact OE2-CE1 2.74Å |
| 773 | T | 73.6 | Confident | 77.8 | Confident | 9 Ų | 9 | 9.7 Ų | 9.7 | 6% | 0.055 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -59.6 | -39.9 | 178.1 | 50.1 | 0 | 0 | 0 | 0 | 112.4 | W571 E769 S770 L776 F777 | W571-T773 HydrophobicContact CZ2-CG2 4.24Å; E769-T773 WeakPolarHBondContact O-CG2 3.46Å; E769-T773 PolarHBondContact O-N 3.43Å; E769-T773 PolarHBondContact O-OG1 2.84Å; S770-T773 PolarHBondContact O-OG1 2.73Å; T773-L776 PolarHBondContact O-N 3.22Å; T773-F777 WeakPolarHBondContact O-CB 3.39Å; T773-F777 PolarHBondContact O-N 3.47Å |
| 774 | R | 80.9 | Confident | 78.7 | Confident | 22 Ų | 22 | 9.9 Ų | 9.9 | 8% | 0.083 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -66.5 | -41.4 | 175.3 | -68.9 | 171.6 | -170.2 | -147.6 | 2.5 | 112.7 | V566 L687 C690 S770 T771 E772 F777 A778 L847 | V566-R774 HydrophobicContact CG1-CG 4.09Å; L687-R774 HydrophobicContact CD2-CB 4.32Å; C690-R774 PolarHBondContact SG-NH1 2.72Å; C690-R774 VanDerWaalsContact SG-NH1 3.43Å; S770-R774 WeakPolarHBondContact O-CD 3.47Å; S770-R774 WeakPolarHBondContact O-CG 3.46Å; S770-R774 PolarHBondContact O-N 3.37Å; T771-R774 PolarHBondContact O-N 2.97Å; E772-R774 VanDerWaalsContact C-N 3.3Å; E772-R774 PolarHBondContact O-N 3.19Å; R774-F777 PolarHBondContact O-N 3Å; R774-A778 VanDerWaalsContact O-CB 3.3Å; R774-A778 WeakPolarHBondContact O-CB 3.48Å; R774-A778 PolarHBondContact O-N 3Å; R774-L847 HydrophobicContact CB-CD1 3.64Å |
| 775 | I | 84.2 | Confident | 79.1 | Confident | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -61.8 | -47.3 | 175.6 | -70.3 | 159 | 0 | 0 | 0 | 110.2 | L622 F623 T771 E772 F777 A778 F779 I844 L847 H851 | L622-I775 HydrophobicContact CD1-CG2 4.2Å; L622-I775 HydrophobicContact CD2-CG2 3.89Å; L622-I775 HydrophobicContact CG-CG2 3.86Å; F623-I775 HydrophobicContact CD1-CD1 3.91Å; F623-I775 HydrophobicContact CD1-CG2 4.28Å; F623-I775 HydrophobicContact CE1-CB 3.63Å; F623-I775 HydrophobicContact CE1-CD1 3.56Å; F623-I775 HydrophobicContact CE1-CG1 4.2Å; F623-I775 HydrophobicContact CE1-CG2 3.48Å; F623-I775 VanDerWaalsContact CE1-CG2 3.48Å; F623-I775 HydrophobicContact CZ-CB 3.99Å; F623-I775 HydrophobicContact CZ-CG2 3.63Å; T771-I775 WeakPolarHBondContact O-CD1 3.39Å; T771-I775 VanDerWaalsContact O-CG1 3.23Å; T771-I775 WeakPolarHBondContact O-CG1 3.49Å; T771-I775 PolarHBondContact O-N 2.84Å; E772-I775 PolarHBondContact O-N 3.3Å; I775-F777 VanDerWaalsContact C-N 3.31Å; I775-F777 PolarHBondContact O-N 3.26Å; I775-A778 PolarHBondContact O-N 3.24Å; I775-F779 WeakPolarHBondContact O-CB 3.39Å; I775-F779 PolarHBondContact O-N 3.4Å; I775-I844 HydrophobicContact CG2-CG2 4.26Å; I775-L847 HydrophobicContact CD1-CB 3.87Å; I775-L847 HydrophobicContact CG1-CB 3.43Å; I775-L847 VanDerWaalsContact CG1-CB 3.43Å; I775-L847 HydrophobicContact CG1-CD1 4.17Å; I775-L847 HydrophobicContact CG1-CG 4.46Å; I775-H851 HydrophobicContact CD1-CB 4.16Å |
| 776 | L | 83.7 | Confident | 79.9 | Confident | 6 Ų | 6 | 9.4 Ų | 9.4 | 3% | 0.031 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -58.7 | -44.2 | 177 | -70.5 | -179.4 | 0 | 0 | 0 | 111.6 | L606 W615 L622 F623 E772 T773 F779 A780 | L606-L776 HydrophobicContact CD1-CB 4.15Å; L606-L776 HydrophobicContact CD2-CB 3.88Å; L606-L776 HydrophobicContact CD2-CD2 4.12Å; L606-L776 HydrophobicContact CD2-CG 4.47Å; W615-L776 HydrophobicContact CH2-CD2 3.51Å; W615-L776 HydrophobicContact CZ2-CD2 3.73Å; L622-L776 HydrophobicContact CD2-CD2 4.36Å; F623-L776 HydrophobicContact CE2-CD2 3.76Å; F623-L776 HydrophobicContact CE2-CG 4.35Å; F623-L776 HydrophobicContact CZ-CD2 3.73Å; F623-L776 HydrophobicContact CZ-CG 3.87Å; E772-L776 HydrophobicContact CG-CD1 4.42Å; E772-L776 WeakPolarHBondContact O-CG 3.1Å; E772-L776 PolarHBondContact O-N 3.41Å; T773-L776 PolarHBondContact O-N 3.22Å; L776-F779 PolarHBondContact O-N 3.22Å; L776-A780 WeakPolarHBondContact O-CB 3.44Å; L776-A780 PolarHBondContact O-N 2.99Å |
| 777 | F | 84.6 | Confident | 80.5 | Confident | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -66 | -46.8 | 179.3 | -173.4 | -160.2 | 0 | 0 | 0 | 112.1 | V566 L569 L570 T599 C602 L683 L687 T773 R774 I775 F779 A780 L781 | V566-F777 HydrophobicContact CG1-CD1 3.87Å; V566-F777 HydrophobicContact CG1-CE1 4.35Å; L569-F777 HydrophobicContact CD2-CE1 4.03Å; L569-F777 HydrophobicContact CD2-CZ 4.15Å; L570-F777 HydrophobicContact CD1-CB 3.94Å; L570-F777 HydrophobicContact CD1-CD2 3.78Å; L570-F777 HydrophobicContact CD1-CE2 4.44Å; L570-F777 HydrophobicContact CD1-CG 3.84Å; L570-F777 HydrophobicContact CD2-CB 4.18Å; T599-F777 HydrophobicContact CG2-CE2 4.39Å; T599-F777 HydrophobicContact CG2-CZ 3.87Å; C602-F777 HydrophobicContact CB-CD2 3.92Å; C602-F777 HydrophobicContact CB-CE2 3.84Å; L683-F777 HydrophobicContact CD1-CE2 4.34Å; L683-F777 HydrophobicContact CD1-CZ 3.91Å; L683-F777 HydrophobicContact CD2-CE1 4.28Å; L683-F777 HydrophobicContact CD2-CZ 3.82Å; L683-F777 HydrophobicContact CG-CZ 4.38Å; L687-F777 HydrophobicContact CD2-CB 4.34Å; L687-F777 HydrophobicContact CD2-CD1 3.78Å; L687-F777 HydrophobicContact CD2-CE1 4.48Å; L687-F777 HydrophobicContact CD2-CG 4.34Å; L687-F777 HydrophobicContact CG-CD1 4.31Å; T773-F777 WeakPolarHBondContact O-CB 3.39Å; T773-F777 PolarHBondContact O-N 3.47Å; R774-F777 PolarHBondContact O-N 3Å; I775-F777 VanDerWaalsContact C-N 3.31Å; I775-F777 PolarHBondContact O-N 3.26Å; F777-F779 VanDerWaalsContact C-N 3.28Å; F777-F779 PolarHBondContact O-N 3.42Å; F777-A780 PolarHBondContact O-N 3.14Å; F777-L781 WeakPolarHBondContact O-CB 3.16Å; F777-L781 PolarHBondContact O-N 3.17Å |
| 778 | A | 87.7 | Confident | 80.7 | Confident | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -60.6 | -38.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L687 R774 I775 L781 L782 L840 L843 I844 | L687-A778 HydrophobicContact CD1-CB 3.96Å; L687-A778 HydrophobicContact CD2-CB 4.48Å; R774-A778 VanDerWaalsContact O-CB 3.3Å; R774-A778 WeakPolarHBondContact O-CB 3.48Å; R774-A778 PolarHBondContact O-N 3Å; I775-A778 PolarHBondContact O-N 3.24Å; A778-L781 PolarHBondContact O-N 3.2Å; A778-L782 WeakPolarHBondContact O-CB 3.36Å; A778-L782 PolarHBondContact O-N 3.37Å; A778-L840 HydrophobicContact CB-CD2 3.97Å; A778-L843 HydrophobicContact CB-CD2 3.47Å; A778-L843 VanDerWaalsContact CB-CD2 3.47Å; A778-I844 HydrophobicContact CB-CD1 4.21Å; A778-I844 HydrophobicContact CB-CG1 3.68Å |
| 779 | F | 89.4 | Confident | 80.8 | Confident | 1 Ų | 1 | 12.8 Ų | 12.8 | 0% | 0.004 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -67 | -44.3 | 177.6 | -172.2 | -110.6 | 0 | 0 | 0 | 112.3 | L609 L622 L637 V638 I641 I775 L776 F777 L781 L782 I783 I844 | L609-F779 HydrophobicContact CD1-CD1 4.5Å; L609-F779 HydrophobicContact CD1-CE1 4.32Å; L622-F779 HydrophobicContact CD1-CD2 3.53Å; L622-F779 HydrophobicContact CD1-CE2 3.77Å; L622-F779 HydrophobicContact CD1-CG 4.05Å; L622-F779 HydrophobicContact CD1-CZ 4.47Å; L622-F779 HydrophobicContact CD2-CB 4.06Å; L622-F779 HydrophobicContact CD2-CD1 3.87Å; L622-F779 HydrophobicContact CD2-CD2 4.08Å; L622-F779 HydrophobicContact CD2-CE1 4.27Å; L622-F779 HydrophobicContact CD2-CE2 4.46Å; L622-F779 HydrophobicContact CD2-CG 3.74Å; L622-F779 HydrophobicContact CG-CD2 4.46Å; L637-F779 HydrophobicContact CD2-CE2 4.04Å; L637-F779 HydrophobicContact CD2-CZ 3.87Å; L637-F779 HydrophobicContact CG-CE2 4.41Å; L637-F779 HydrophobicContact CG-CZ 4.11Å; V638-F779 HydrophobicContact CG2-CD2 3.99Å; V638-F779 HydrophobicContact CG2-CE2 3.44Å; V638-F779 VanDerWaalsContact CG2-CE2 3.44Å; V638-F779 HydrophobicContact CG2-CZ 3.9Å; I641-F779 HydrophobicContact CD1-CE1 3.89Å; I641-F779 HydrophobicContact CD1-CZ 3.59Å; I775-F779 WeakPolarHBondContact O-CB 3.39Å; I775-F779 PolarHBondContact O-N 3.4Å; L776-F779 PolarHBondContact O-N 3.22Å; F777-F779 VanDerWaalsContact C-N 3.28Å; F777-F779 PolarHBondContact O-N 3.42Å; F779-L781 VanDerWaalsContact C-N 3.31Å; F779-L781 PolarHBondContact O-N 3.2Å; F779-L782 WeakPolarHBondContact O-CB 3.34Å; F779-L782 PolarHBondContact O-N 2.78Å; F779-I783 HydrophobicContact CD1-CD1 3.9Å; F779-I783 HydrophobicContact CE1-CD1 3.71Å; F779-I783 HydrophobicContact CZ-CD1 4.31Å; F779-I783 WeakPolarHBondContact O-CG1 3.5Å; F779-I783 PolarHBondContact O-N 2.74Å; F779-I844 HydrophobicContact CB-CD1 4.24Å; F779-I844 HydrophobicContact CD2-CD1 4.28Å |
| 780 | A | 86.3 | Confident | 80.8 | Confident | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -61.7 | -40.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | C602 I605 L606 L776 F777 L782 I783 L784 | C602-A780 HydrophobicContact CB-CB 3.86Å; I605-A780 HydrophobicContact CG2-CB 4.46Å; L606-A780 HydrophobicContact CD1-CB 4.24Å; L606-A780 HydrophobicContact CD2-CB 4.21Å; L606-A780 HydrophobicContact CG-CB 3.88Å; L776-A780 WeakPolarHBondContact O-CB 3.44Å; L776-A780 PolarHBondContact O-N 2.99Å; F777-A780 PolarHBondContact O-N 3.14Å; A780-L782 VanDerWaalsContact C-N 3.34Å; A780-I783 PolarHBondContact O-N 3Å; A780-L784 PolarHBondContact O-N 2.98Å; A780-L784 VanDerWaalsContact O-N 3.15Å |
| 781 | L | 87.2 | Confident | 80.6 | Confident | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -64.5 | -38.6 | 175.3 | -173.8 | 59.6 | 0 | 0 | 0 | 111.8 | L598 L683 L684 L687 F777 A778 F779 L784 I785 L840 | L598-L781 HydrophobicContact CD1-CD1 3.79Å; L598-L781 HydrophobicContact CD2-CD1 3.85Å; L598-L781 HydrophobicContact CG-CD1 4.01Å; L683-L781 HydrophobicContact CB-CD2 4.11Å; L683-L781 HydrophobicContact CD1-CD1 4.44Å; L683-L781 HydrophobicContact CD1-CD2 4.49Å; L684-L781 HydrophobicContact CD2-CD2 4.21Å; L687-L781 HydrophobicContact CD1-CD2 4.27Å; F777-L781 WeakPolarHBondContact O-CB 3.16Å; F777-L781 PolarHBondContact O-N 3.17Å; A778-L781 PolarHBondContact O-N 3.2Å; F779-L781 VanDerWaalsContact C-N 3.31Å; F779-L781 PolarHBondContact O-N 3.2Å; L781-L784 PolarHBondContact O-N 3.44Å; L781-I785 HydrophobicContact CD1-CD1 4.37Å; L781-I785 HydrophobicContact CG-CD1 4.12Å; L781-I785 WeakPolarHBondContact O-CG1 3.49Å; L781-I785 PolarHBondContact O-N 2.72Å; L781-L840 HydrophobicContact CB-CD1 4.33Å; L781-L840 HydrophobicContact CD2-CD1 4.27Å; L781-L840 HydrophobicContact CD2-CD2 4.19Å; L781-L840 HydrophobicContact CG-CD1 3.99Å |
| 782 | L | 87.5 | Confident | 80 | Confident | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -63.1 | -41.9 | 175.7 | -177.9 | 63.6 | 0 | 0 | 0 | 112 | P634 V638 A778 F779 A780 I785 R786 K837 L840 V841 I844 | P634-L782 HydrophobicContact CB-CD2 4.18Å; V638-L782 HydrophobicContact CG2-CD2 3.82Å; V638-L782 HydrophobicContact CG2-CG 4.01Å; A778-L782 WeakPolarHBondContact O-CB 3.36Å; A778-L782 PolarHBondContact O-N 3.37Å; F779-L782 WeakPolarHBondContact O-CB 3.34Å; F779-L782 PolarHBondContact O-N 2.78Å; A780-L782 VanDerWaalsContact C-N 3.34Å; L782-I785 PolarHBondContact O-N 3.24Å; L782-R786 WeakPolarHBondContact O-CB 3.17Å; L782-R786 PolarHBondContact O-N 3.41Å; L782-K837 HydrophobicContact CD1-CB 4.36Å; L782-K837 HydrophobicContact CD1-CG 3.88Å; L782-L840 HydrophobicContact CB-CB 4.38Å; L782-L840 HydrophobicContact CB-CD1 4.1Å; L782-L840 HydrophobicContact CD1-CB 4.02Å; L782-L840 HydrophobicContact CD1-CD1 4.28Å; L782-V841 HydrophobicContact CD1-CG2 4.25Å; L782-V841 HydrophobicContact CD2-CG2 3.96Å; L782-I844 HydrophobicContact CB-CD1 4.4Å; L782-I844 HydrophobicContact CD2-CD1 3.82Å |
| 783 | I | 85.9 | Confident | 79 | Confident | 6 Ų | 6 | 17.8 Ų | 17.8 | 3% | 0.031 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -59.8 | -46.9 | 175.3 | -67.5 | 167.5 | 0 | 0 | 0 | 110.7 | I605 L609 V638 I642 F779 A780 R786 R787 | I605-I783 HydrophobicContact CG2-CD1 4.19Å; I605-I783 HydrophobicContact CG2-CG2 4.5Å; L609-I783 HydrophobicContact CD1-CD1 3.72Å; V638-I783 HydrophobicContact CB-CG1 4.32Å; V638-I783 HydrophobicContact CG1-CB 4.42Å; V638-I783 HydrophobicContact CG1-CG1 3.89Å; V638-I783 HydrophobicContact CG2-CG1 3.67Å; I642-I783 HydrophobicContact CG1-CG2 4.37Å; F779-I783 HydrophobicContact CD1-CD1 3.9Å; F779-I783 HydrophobicContact CE1-CD1 3.71Å; F779-I783 HydrophobicContact CZ-CD1 4.31Å; F779-I783 WeakPolarHBondContact O-CG1 3.5Å; F779-I783 PolarHBondContact O-N 2.74Å; A780-I783 PolarHBondContact O-N 3Å; I783-R786 PolarHBondContact O-N 2.8Å; I783-R787 WeakPolarHBondContact O-CB 3.34Å; I783-R787 PolarHBondContact O-N 3.45Å |
| 784 | L | 83.1 | Confident | 77.9 | Confident | 3 Ų | 3 | 19.4 Ų | 19.4 | 2% | 0.016 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -61.2 | -47.1 | 178.6 | -76.2 | 172.9 | 0 | 0 | 0 | 112.4 | L598 D601 I605 F667 A780 L781 R787 N788 | L598-L784 HydrophobicContact CD1-CD1 3.65Å; D601-L784 HydrophobicContact CB-CD1 4.05Å; I605-L784 HydrophobicContact CD1-CD1 4.03Å; I605-L784 HydrophobicContact CD1-CD2 3.25Å; I605-L784 HydrophobicContact CD1-CG 3.4Å; I605-L784 VanDerWaalsContact CD1-CG 3.4Å; F667-L784 HydrophobicContact CB-CD2 4.38Å; A780-L784 PolarHBondContact O-N 2.98Å; A780-L784 VanDerWaalsContact O-N 3.15Å; L781-L784 PolarHBondContact O-N 3.44Å; L784-R787 PolarHBondContact O-N 3.32Å; L784-N788 WeakPolarHBondContact O-CB 3.27Å; L784-N788 PolarHBondContact O-N 3.35Å |
| 785 | I | 82.7 | Confident | 75.7 | Confident | 3 Ų | 3 | 23.4 Ų | 23.4 | 2% | 0.015 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -64.2 | -43.3 | 179.7 | -68.2 | 171.1 | 0 | 0 | 0 | 110.8 | V680 L781 L782 N788 E789 A836 L840 | V680-I785 HydrophobicContact CG1-CD1 3.82Å; L781-I785 HydrophobicContact CD1-CD1 4.37Å; L781-I785 HydrophobicContact CG-CD1 4.12Å; L781-I785 WeakPolarHBondContact O-CG1 3.49Å; L781-I785 PolarHBondContact O-N 2.72Å; L782-I785 PolarHBondContact O-N 3.24Å; I785-N788 PolarHBondContact O-N 2.81Å; I785-E789 PolarHBondContact O-N 2.85Å; I785-A836 HydrophobicContact CD1-CB 4.2Å; I785-L840 HydrophobicContact CD1-CD1 3.61Å |
| 786 | R | 82.3 | Confident | 73.4 | Confident | 34 Ų | 34 | 28.9 Ų | 28.9 | 13% | 0.128 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -65.6 | -40.8 | 178.9 | -176.1 | 55.5 | 173.6 | 153.1 | 3.6 | 111.8 | L635 V638 E639 I642 L782 I783 E789 L790 | L635-R786 HydrophobicContact CD1-CG 4.29Å; V638-R786 HydrophobicContact CG1-CB 3.96Å; V638-R786 HydrophobicContact CG1-CG 4.08Å; E639-R786 IonicContact OE1-CZ 3.12Å; E639-R786 IonicContact OE1-NE 2.7Å; E639-R786 PolarHBondContact OE1-NE 2.97Å; E639-R786 IonicContact OE1-NH2 2.76Å; E639-R786 PolarHBondContact OE1-NH2 3.43Å; I642-R786 HydrophobicContact CD1-CB 4.08Å; I642-R786 HydrophobicContact CD1-CG 3.84Å; L782-R786 WeakPolarHBondContact O-CB 3.17Å; L782-R786 PolarHBondContact O-N 3.41Å; I783-R786 PolarHBondContact O-N 2.8Å; R786-E789 IonicContact CZ-OE2 3.31Å; R786-E789 IonicContact NH1-OE1 2.78Å; R786-E789 PolarHBondContact NH1-OE1 3.22Å; R786-E789 IonicContact NH1-OE2 3.32Å; R786-E789 PolarHBondContact NH1-OE2 2.93Å; R786-E789 WeakPolarHBondContact O-CB 3.26Å; R786-E789 PolarHBondContact O-N 3.27Å; R786-L790 WeakPolarHBondContact O-CG 3.5Å; R786-L790 PolarHBondContact O-N 3.17Å; R786-L790 VanDerWaalsContact O-N 3.1Å |
| 787 | R | 76.1 | Confident | 71 | Confident | 61 Ų | 61 | 36.5 Ų | 36.5 | 23% | 0.23 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.3 | -41.5 | 175.7 | -177.5 | 55.1 | 168.3 | -161.7 | -13 | 111.8 | D646 I783 L784 E789 L790 A791 | D646-R787 IonicContact OD1-CZ 3.75Å; D646-R787 IonicContact OD1-NH1 3.65Å; D646-R787 PolarHBondContact OD1-NH1 3.39Å; D646-R787 IonicContact OD1-NH2 2.73Å; D646-R787 PolarHBondContact OD1-NH2 3.25Å; D646-R787 IonicContact OD2-CZ 3.26Å; D646-R787 IonicContact OD2-NH1 3.01Å; D646-R787 PolarHBondContact OD2-NH1 3.38Å; D646-R787 IonicContact OD2-NH2 2.77Å; I783-R787 WeakPolarHBondContact O-CB 3.34Å; I783-R787 PolarHBondContact O-N 3.45Å; L784-R787 PolarHBondContact O-N 3.32Å; R787-E789 VanDerWaalsContact C-N 3.31Å; R787-E789 PolarHBondContact O-N 2.95Å; R787-L790 PolarHBondContact O-N 2.86Å; R787-A791 PolarHBondContact O-N 2.82Å |
| 788 | N | 75.6 | Confident | 68.6 | Low | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.011 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.7 | -41.3 | 176 | -174.2 | 65.4 | 0 | 0 | 0 | 112.2 | F667 G670 L672 L784 I785 A791 S792 H833 | F667-N788 VanDerWaalsContact O-CB 3.24Å; F667-N788 WeakPolarHBondContact O-CB 3.27Å; F667-N788 PolarHBondContact O-OD1 3.43Å; G670-N788 WeakPolarHBondContact CA-OD1 3.28Å; G670-N788 PolarHBondContact N-OD1 3.06Å; L672-N788 HydrophobicContact CD1-CB 4.49Å; L672-N788 WeakPolarHBondContact CD1-ND2 3.41Å; L784-N788 WeakPolarHBondContact O-CB 3.27Å; L784-N788 PolarHBondContact O-N 3.35Å; I785-N788 PolarHBondContact O-N 2.81Å; N788-A791 PolarHBondContact O-N 3.3Å; N788-S792 PolarHBondContact O-N 2.95Å; N788-S792 PolarHBondContact O-OG 2.84Å; N788-H833 PolarHBondContact ND2-NE2 3.24Å |
| 789 | E | 73.8 | Confident | 66 | Low | 26 Ų | 26 | 53.9 Ų | 53.9 | 12% | 0.121 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.4 | -45.2 | 175.2 | -171.1 | -169.9 | 161.7 | 0 | 0 | 111.8 | I785 R786 R787 A791 S792 N793 K837 | I785-E789 PolarHBondContact O-N 2.85Å; R786-E789 IonicContact CZ-OE2 3.31Å; R786-E789 IonicContact NH1-OE1 2.78Å; R786-E789 PolarHBondContact NH1-OE1 3.22Å; R786-E789 IonicContact NH1-OE2 3.32Å; R786-E789 PolarHBondContact NH1-OE2 2.93Å; R786-E789 WeakPolarHBondContact O-CB 3.26Å; R786-E789 PolarHBondContact O-N 3.27Å; R787-E789 VanDerWaalsContact C-N 3.31Å; R787-E789 PolarHBondContact O-N 2.95Å; E789-A791 VanDerWaalsContact C-N 3.32Å; E789-A791 PolarHBondContact O-N 3.05Å; E789-S792 WeakPolarHBondContact CA-OG 3.31Å; E789-S792 PolarHBondContact O-N 3.48Å; E789-S792 PolarHBondContact O-OG 3.4Å; E789-N793 PolarHBondContact O-N 2.75Å; E789-N793 VanDerWaalsContact O-N 3.08Å; E789-K837 IonicContact OE1-NZ 3.86Å; E789-K837 PolarHBondContact OE1-NZ 3.3Å; E789-K837 IonicContact OE2-NZ 3.55Å; E789-K837 PolarHBondContact OE2-NZ 2.86Å |
| 790 | L | 69.3 | Low | 63.1 | Low | 71 Ų | 71 | 60.9 Ų | 60.9 | 37% | 0.372 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -62.9 | -38.6 | 176.4 | -68.7 | 171.1 | 0 | 0 | 0 | 111.8 | I642 R786 R787 | I642-L790 HydrophobicContact CG2-CD1 4.13Å; R786-L790 WeakPolarHBondContact O-CG 3.5Å; R786-L790 PolarHBondContact O-N 3.17Å; R786-L790 VanDerWaalsContact O-N 3.1Å; R787-L790 PolarHBondContact O-N 2.86Å |
| 791 | A | 65.9 | Low | 60.5 | Low | 32 Ų | 32 | 67.5 Ų | 67.5 | 26% | 0.264 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -69.3 | -41.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | R787 N788 E789 G794 | R787-A791 PolarHBondContact O-N 2.82Å; N788-A791 PolarHBondContact O-N 3.3Å; E789-A791 VanDerWaalsContact C-N 3.32Å; E789-A791 PolarHBondContact O-N 3.05Å; A791-G794 PolarHBondContact O-N 3.47Å |
| 792 | S | 62.6 | Low | 57.9 | Low | 19 Ų | 19 | 74.5 Ų | 74.5 | 13% | 0.133 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -69.1 | -34.5 | -180 | 56.3 | 0 | 0 | 0 | 0 | 113.2 | N788 E789 G794 L795 I796 | N788-S792 PolarHBondContact O-N 2.95Å; N788-S792 PolarHBondContact O-OG 2.84Å; E789-S792 WeakPolarHBondContact CA-OG 3.31Å; E789-S792 PolarHBondContact O-N 3.48Å; E789-S792 PolarHBondContact O-OG 3.4Å; S792-G794 PolarHBondContact O-N 3.09Å; S792-L795 WeakPolarHBondContact O-CB 3.45Å; S792-L795 PolarHBondContact O-N 3.18Å; S792-I796 PolarHBondContact O-N 3.2Å |
| 793 | N | 57.1 | Low | 55.4 | Low | 79 Ų | 79 | 82.3 Ų | 82.3 | 42% | 0.422 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -64 | -29.7 | 177.8 | -74.8 | -12.9 | 0 | 0 | 0 | 112.4 | E789 L795 M797 | E789-N793 PolarHBondContact O-N 2.75Å; E789-N793 VanDerWaalsContact O-N 3.08Å; N793-L795 VanDerWaalsContact C-N 3.32Å; N793-L795 PolarHBondContact O-N 3.19Å; N793-M797 PolarHBondContact O-N 3.16Å |
| 794 | G | 49.1 | Very low | 52.9 | Low | 43 Ų | 43 | 89 Ų | 89 | 44% | 0.443 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -64.7 | -33.7 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | A791 S792 | A791-G794 PolarHBondContact O-N 3.47Å; S792-G794 PolarHBondContact O-N 3.09Å |
| 795 | L | 36.5 | Very low | 50.6 | Low | 105 Ų | 105 | 95.7 Ų | 95.7 | 55% | 0.55 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -77.8 | -34.1 | 177.7 | -85.7 | 157.5 | 0 | 0 | 0 | 113 | S792 N793 L798 | S792-L795 WeakPolarHBondContact O-CB 3.45Å; S792-L795 PolarHBondContact O-N 3.18Å; N793-L795 VanDerWaalsContact C-N 3.32Å; N793-L795 PolarHBondContact O-N 3.19Å; L795-L798 PolarHBondContact O-N 3.41Å |
| 796 | I | 35.5 | Very low | 48.2 | Very low | 116 Ų | 116 | 102.1 Ų | 102.1 | 60% | 0.595 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -69.1 | -36.1 | 178.3 | -63.7 | 168.7 | 0 | 0 | 0 | 110.7 | S792 L798 R799 | S792-I796 PolarHBondContact O-N 3.2Å; I796-L798 VanDerWaalsContact C-N 3.28Å; I796-L798 PolarHBondContact O-N 2.73Å; I796-R799 PolarHBondContact O-N 2.69Å |
| 797 | M | 32.2 | Very low | 45.9 | Very low | 165 Ų | 165 | 108.4 Ų | 108.4 | 81% | 0.813 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -66.8 | -25.3 | 175.8 | -74.2 | -70.3 | -103.4 | 0 | 0 | 113.7 | N793 | N793-M797 PolarHBondContact O-N 3.16Å |
| 798 | L | 34.7 | Very low | 43.8 | Very low | 137 Ų | 137 | 112.3 Ų | 112.3 | 72% | 0.717 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -81 | -16.2 | 177.5 | -78.6 | 165.1 | 0 | 0 | 0 | 113.8 | L795 I796 | L795-L798 PolarHBondContact O-N 3.41Å; I796-L798 VanDerWaalsContact C-N 3.28Å; I796-L798 PolarHBondContact O-N 2.73Å |
| 799 | R | 32.7 | Very low | 41.8 | Very low | 229 Ų | 229 | 119.6 Ų | 119.6 | 86% | 0.864 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -91.6 | -6.2 | -174.4 | -160.6 | 167.4 | -178.6 | 175.6 | 0.1 | 114.5 | I796 N801 | I796-R799 PolarHBondContact O-N 2.69Å; R799-N801 VanDerWaalsContact C-N 3.33Å; R799-N801 PolarHBondContact O-N 3.32Å |
| 800 | N | 29.6 | Very low | 39.8 | Very low | 147 Ų | 147 | 123.3 Ų | 123.3 | 79% | 0.786 | 67% | 0.667 | S | S | * | * | trans | -94.9 | 24 | -179.5 | -136.8 | 16.1 | 0 | 0 | 0 | 114.3 | N802 | N800-N802 PolarHBondContact O-N 3.32Š| ||
| 801 | N | 31 | Very low | 38.1 | Very low | 140 Ų | 140 | 126.7 Ų | 126.7 | 75% | 0.749 | 69% | 0.685 | S | S | * | * | trans | -86.8 | 101.2 | 172.7 | -108.8 | -6.8 | 0 | 0 | 0 | 110.5 | R799 N803 | R799-N801 VanDerWaalsContact C-N 3.33Å; R799-N801 PolarHBondContact O-N 3.32Å; N801-N803 PolarHBondContact O-N 2.87Å | ||
| 802 | N | 33.6 | Very low | 36.3 | Very low | 147 Ų | 147 | 132.9 Ų | 132.9 | 79% | 0.786 | 71% | 0.708 | S | S | * | * | trans | 6.3 | 95.1 | 148.2 | -76.1 | -20.4 | 0 | 0 | 0 | 115.8 | N800 | N800-N802 PolarHBondContact O-N 3.32Š| ||
| 803 | N | 35 | Very low | 34.8 | Very low | 163 Ų | 163 | 138.1 Ų | 138.1 | 87% | 0.872 | 74% | 0.735 | S | S | * | * | trans | -118.6 | 63.1 | 155.3 | -91.2 | -9 | 0 | 0 | 0 | 108.9 | N801 N805 | N801-N803 PolarHBondContact O-N 2.87Å; N803-N805 VanDerWaalsContact C-N 3.33Å; N803-N805 PolarHBondContact O-N 3.11Å | ||
| 804 | N | 33.5 | Very low | 33.6 | Very low | 148 Ų | 148 | 140.7 Ų | 140.7 | 79% | 0.791 | 75% | 0.749 | S | S | * | * | trans | -70.9 | 99.7 | 144 | -93.7 | -7.5 | 0 | 0 | 0 | 105.8 | ||||
| 805 | N | 33 | Very low | 32.7 | Very low | 142 Ų | 142 | 146.4 Ų | 146.4 | 76% | 0.759 | 76% | 0.764 | S | S | * | * | trans | -168.7 | 109.3 | 149.2 | -94.9 | -22.4 | 0 | 0 | 0 | 109.2 | N803 | N803-N805 VanDerWaalsContact C-N 3.33Å; N803-N805 PolarHBondContact O-N 3.11Å | ||
| 806 | N | 33.6 | Very low | 32.3 | Very low | 139 Ų | 139 | 148 Ų | 148 | 74% | 0.743 | 77% | 0.773 | S | S | * | * | 17.4 | 121 | 127.6 | -63.5 | -11.7 | 0 | 0 | 0 | 114.8 | |||||
| 807 | N | 34.5 | Very low | 32.1 | Very low | 165 Ų | 165 | 151 Ų | 151 | 88% | 0.882 | 79% | 0.79 | S | S | * | * | -162.9 | 129.9 | 111.7 | -87.3 | -24 | 0 | 0 | 0 | 110.3 | |||||
| 808 | N | 31.8 | Very low | 31.9 | Very low | 143 Ų | 143 | 150.4 Ų | 150.4 | 77% | 0.765 | 79% | 0.791 | S | S | * | * | trans | -64.9 | 172.6 | 165.1 | -60.7 | -36.6 | 0 | 0 | 0 | 110.4 | ||||
| 809 | D | 32.5 | Very low | 31.4 | Very low | 156 Ų | 156 | 149 Ų | 149 | 83% | 0.834 | 79% | 0.791 | S | S | * | * | trans | 96.5 | 95.2 | 158.1 | -48.3 | -24.8 | 0 | 0 | 0 | 115.6 | ||||
| 810 | A | 32.8 | Very low | 31.3 | Very low | 104 Ų | 104 | 146.4 Ų | 146.4 | 86% | 0.86 | 79% | 0.793 | S | S | * | * | trans | -158.8 | 108.7 | 137.7 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 811 | D | 32.4 | Very low | 31.3 | Very low | 142 Ų | 142 | 144.1 Ų | 144.1 | 76% | 0.759 | 80% | 0.795 | S | S | * | * | trans | -70.3 | 149.3 | 173.3 | -66.8 | -49.6 | 0 | 0 | 0 | 112.5 | ||||
| 812 | E | 29.6 | Very low | 31.2 | Very low | 161 Ų | 161 | 144.9 Ų | 144.9 | 75% | 0.752 | 80% | 0.799 | S | S | * | * | trans | 66.4 | 109.5 | 135.3 | -72 | 177.7 | -179.3 | 0 | 0 | 121 | ||||
| 813 | D | 30.3 | Very low | 31 | Very low | 129 Ų | 129 | 147.5 Ų | 147.5 | 69% | 0.69 | 80% | 0.803 | S | S | * | * | 111.3 | 130.4 | 116.6 | -66.7 | -9.8 | 0 | 0 | 0 | 121.3 | |||||
| 814 | D | 32.4 | Very low | 30.5 | Very low | 134 Ų | 134 | 148.1 Ų | 148.1 | 72% | 0.717 | 80% | 0.801 | S | S | * | * | trans | 93.2 | 92.7 | 150.5 | -57.5 | -20.8 | 0 | 0 | 0 | 121.8 | ||||
| 815 | E | 28.7 | Very low | 30.5 | Very low | 163 Ų | 163 | 146.6 Ų | 146.6 | 76% | 0.762 | 80% | 0.799 | S | S | * | * | 67.7 | 115.2 | 119.1 | -68 | -175.8 | 172 | 0 | 0 | 121.4 | |||||
| 816 | D | 28.8 | Very low | 30.4 | Very low | 139 Ų | 139 | 149.5 Ų | 149.5 | 74% | 0.743 | 81% | 0.805 | S | S | * | * | trans | 68.1 | 98.6 | 134.2 | -58.1 | -14.3 | 0 | 0 | 0 | 120.3 | ||||
| 817 | D | 31.3 | Very low | 30.6 | Very low | 177 Ų | 177 | 146.4 Ų | 146.4 | 95% | 0.947 | 81% | 0.806 | S | S | * | * | -158.6 | 128.7 | 122.4 | -109.6 | -25.9 | 0 | 0 | 0 | 112 | |||||
| 818 | D | 27.5 | Very low | 30.9 | Very low | 154 Ų | 154 | 142.7 Ų | 142.7 | 82% | 0.824 | 79% | 0.785 | S | S | * | * | trans | -73.8 | 145.4 | -167.5 | -109.1 | -38.8 | 0 | 0 | 0 | 114.7 | ||||
| 819 | C | 25.8 | Very low | 31.7 | Very low | 108 Ų | 108 | 141.1 Ų | 141.1 | 73% | 0.73 | 78% | 0.777 | S | S | * | * | trans | 67.4 | 87.3 | 148.6 | -77.4 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 820 | L | 29.1 | Very low | 32.7 | Very low | 173 Ų | 173 | 141.3 Ų | 141.3 | 91% | 0.906 | 78% | 0.776 | S | S | * | * | -144.3 | 91.8 | 128 | -81 | -177.2 | 0 | 0 | 0 | 109.2 | D822 | L820-D822 PolarHBondContact O-N 3.45Š| |||
| 821 | A | 29.3 | Very low | 34.2 | Very low | 100 Ų | 100 | 140.3 Ų | 140.3 | 83% | 0.826 | 76% | 0.756 | S | S | * | * | trans | -63.3 | 101.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110 | K823 | A821-K823 PolarHBondContact O-N 2.95Š| ||
| 822 | D | 30.2 | Very low | 35.9 | Very low | 156 Ų | 156 | 135.5 Ų | 135.5 | 83% | 0.834 | 73% | 0.728 | S | S | * | * | trans | -55 | 101.6 | 168.1 | -94 | -29.1 | 0 | 0 | 0 | 109.5 | L820 Q824 | L820-D822 PolarHBondContact O-N 3.45Å; D822-Q824 VanDerWaalsContact C-N 3.32Å; D822-Q824 PolarHBondContact O-N 3.23Å | ||
| 823 | K | 28.2 | Very low | 37.8 | Very low | 201 Ų | 201 | 129.2 Ų | 129.2 | 87% | 0.874 | 70% | 0.698 | S | S | * | * | trans | -61.2 | 99.5 | 161.5 | -75.9 | -179.2 | 177.8 | 176.2 | 0 | 107 | A821 | A821-K823 PolarHBondContact O-N 2.95Š| ||
| 824 | Q | 25.9 | Very low | 39.7 | Very low | 177 Ų | 177 | 125.7 Ų | 125.7 | 83% | 0.827 | 68% | 0.68 | S | S | * | * | trans | -47.8 | 125.6 | 172 | -75.9 | -167.5 | -17.1 | 0 | 0 | 109.4 | D822 K826 | D822-Q824 VanDerWaalsContact C-N 3.32Å; D822-Q824 PolarHBondContact O-N 3.23Å; Q824-K826 PolarHBondContact O-N 3.12Å | ||
| 825 | P | 32 | Very low | 41.5 | Very low | 116 Ų | 116 | 123.8 Ų | 123.8 | 75% | 0.753 | 67% | 0.669 | S | S | * | * | trans | -64.7 | 123.4 | -176.9 | 25.1 | -31.4 | 0 | 0 | 0 | 108.7 | G827 | P825-G827 PolarHBondContact O-N 2.88Š| ||
| 826 | K | 32.5 | Very low | 43.6 | Very low | 203 Ų | 203 | 116.5 Ų | 116.5 | 88% | 0.883 | 64% | 0.637 | S | S | * | * | trans | -44.1 | 116.8 | 170.3 | -74 | -179.8 | 174.4 | -177.6 | 0 | 108.3 | Q824 I828 | Q824-K826 PolarHBondContact O-N 3.12Å; K826-I828 PolarHBondContact O-N 3.05Å | ||
| 827 | G | 36.2 | Very low | 46.1 | Very low | 74 Ų | 74 | 110.6 Ų | 110.6 | 76% | 0.763 | 61% | 0.605 | S | S | * | * | P | Polyproline II helix | trans | -50.5 | 132.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | P825 D829 | P825-G827 PolarHBondContact O-N 2.88Å; G827-D829 PolarHBondContact O-N 2.71Å |
| 828 | I | 41.6 | Very low | 48.2 | Very low | 86 Ų | 86 | 103.6 Ų | 103.6 | 44% | 0.441 | 57% | 0.567 | S | S | . | * | P | Polyproline II helix | trans | -57.8 | 124.2 | 175.3 | -59.5 | 157.6 | 0 | 0 | 0 | 107.3 | N674 K826 I830 | N674-I828 WeakPolarHBondContact OD1-CD1 3.37Å; N674-I828 WeakPolarHBondContact OD1-CG1 3.22Å; K826-I828 PolarHBondContact O-N 3.05Å; I828-I830 PolarHBondContact O-N 2.83Å; I828-I830 VanDerWaalsContact O-N 3.14Å |
| 829 | D | 48.4 | Very low | 50.5 | Low | 110 Ų | 110 | 101.9 Ų | 101.9 | 59% | 0.588 | 55% | 0.549 | S | S | * | . | P | Polyproline II helix | trans | -53.6 | 117.7 | 179.2 | -165.3 | -7.6 | 0 | 0 | 0 | 109.8 | G827 N831 W832 | G827-D829 PolarHBondContact O-N 2.71Å; D829-N831 PolarHBondContact O-N 3.42Å; D829-W832 PolarHBondContact O-N 3.48Å; D829-W832 VanDerWaalsContact O-N 3.12Å |
| 830 | I | 54.2 | Low | 53.1 | Low | 160 Ų | 160 | 96.7 Ų | 96.7 | 82% | 0.821 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -15.8 | -176.9 | -69.2 | 163.2 | 0 | 0 | 0 | 111.1 | I828 | I828-I830 PolarHBondContact O-N 2.83Å; I828-I830 VanDerWaalsContact O-N 3.14Å |
| 831 | N | 63.4 | Low | 55.6 | Low | 83 Ų | 83 | 89.1 Ų | 89.1 | 44% | 0.444 | 48% | 0.475 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | -1.7 | 179.2 | -95.4 | -22.7 | 0 | 0 | 0 | 116.7 | D829 H833 N834 N835 | D829-N831 PolarHBondContact O-N 3.42Å; N831-H833 PolarHBondContact O-N 2.89Å; N831-N834 PolarHBondContact O-N 3.1Å; N831-N835 PolarHBondContact O-N 3.24Å |
| 832 | W | 68.9 | Low | 57.8 | Low | 41 Ų | 41 | 85 Ų | 85 | 16% | 0.155 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -62.3 | -39.7 | -173.7 | 82.6 | -95.6 | 0 | 0 | 0 | 113.9 | L672 L677 D829 N834 N835 A836 | L672-W832 HydrophobicContact CD1-CH2 3.5Å; L672-W832 HydrophobicContact CD1-CZ2 3.59Å; L677-W832 HydrophobicContact CD1-CB 4.17Å; L677-W832 HydrophobicContact CD1-CD2 3.11Å; L677-W832 HydrophobicContact CD1-CE3 3.13Å; L677-W832 HydrophobicContact CD1-CG 3.61Å; L677-W832 HydrophobicContact CD1-CH2 4Å; L677-W832 HydrophobicContact CD1-CZ2 3.98Å; L677-W832 HydrophobicContact CD1-CZ3 3.6Å; D829-W832 PolarHBondContact O-N 3.48Å; D829-W832 VanDerWaalsContact O-N 3.12Å; W832-N834 VanDerWaalsContact C-N 3.29Å; W832-N834 PolarHBondContact O-N 3.24Å; W832-N835 PolarHBondContact O-N 3.23Å; W832-A836 HydrophobicContact CE3-CB 4.25Å; W832-A836 HydrophobicContact CZ3-CB 4.4Å; W832-A836 WeakPolarHBondContact O-CB 3.3Å; W832-A836 PolarHBondContact O-N 2.83Å |
| 833 | H | 69.4 | Low | 60.1 | Low | 29 Ų | 29 | 78 Ų | 78 | 13% | 0.134 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -61.3 | -41.8 | 178 | -67.9 | 86.2 | 0 | 0 | 0 | 110.9 | N788 N831 K837 | N788-H833 PolarHBondContact ND2-NE2 3.24Å; N831-H833 PolarHBondContact O-N 2.89Å; H833-K837 WeakPolarHBondContact O-CB 3.23Å; H833-K837 PolarHBondContact O-N 3.18Å |
| 834 | N | 70.1 | Confident | 62.6 | Low | 56 Ų | 56 | 68.7 Ų | 68.7 | 30% | 0.299 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -65.2 | -43.2 | 178.2 | -75.5 | -29.7 | 0 | 0 | 0 | 111 | N831 W832 K837 N838 | N831-N834 PolarHBondContact O-N 3.1Å; W832-N834 VanDerWaalsContact C-N 3.29Å; W832-N834 PolarHBondContact O-N 3.24Å; N834-K837 PolarHBondContact OD1-NZ 2.8Å; N834-N838 VanDerWaalsContact O-CB 3.28Å; N834-N838 WeakPolarHBondContact O-CB 3.45Å; N834-N838 PolarHBondContact O-N 2.83Å; N834-N838 PolarHBondContact O-ND2 3.35Å |
| 835 | N | 69.7 | Low | 65.1 | Low | 94 Ų | 94 | 60.6 Ų | 60.6 | 50% | 0.503 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -63.5 | -46.9 | 177.1 | -69.5 | -15.3 | 0 | 0 | 0 | 111.9 | N831 W832 N838 R839 | N831-N835 PolarHBondContact O-N 3.24Å; W832-N835 PolarHBondContact O-N 3.23Å; N835-N838 PolarHBondContact O-N 2.7Å; N835-R839 VanDerWaalsContact O-CB 3.26Å; N835-R839 WeakPolarHBondContact O-CB 3.34Å; N835-R839 PolarHBondContact O-N 3.39Å |
| 836 | A | 73.3 | Confident | 67.2 | Low | 10 Ų | 10 | 55.5 Ų | 55.5 | 8% | 0.083 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.1 | -43.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L684 I785 W832 R839 L840 | L684-A836 HydrophobicContact CD1-CB 4.07Å; I785-A836 HydrophobicContact CD1-CB 4.2Å; W832-A836 HydrophobicContact CE3-CB 4.25Å; W832-A836 HydrophobicContact CZ3-CB 4.4Å; W832-A836 WeakPolarHBondContact O-CB 3.3Å; W832-A836 PolarHBondContact O-N 2.83Å; A836-R839 PolarHBondContact O-N 2.83Å; A836-L840 WeakPolarHBondContact O-CG 3.16Å; A836-L840 PolarHBondContact O-N 3.24Å |
| 837 | K | 81.1 | Confident | 69.4 | Low | 14 Ų | 14 | 45.9 Ų | 45.9 | 6% | 0.061 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -60.9 | -50.2 | 176.3 | 178.1 | 173.6 | 60.5 | -166.9 | 0 | 111.5 | L635 L782 E789 H833 N834 R839 L840 V841 | L635-K837 HydrophobicContact CD1-CD 3.63Å; L635-K837 HydrophobicContact CD1-CG 3.98Å; L635-K837 HydrophobicContact CD2-CD 3.82Å; L635-K837 HydrophobicContact CD2-CG 4.28Å; L635-K837 HydrophobicContact CG-CD 4.39Å; L782-K837 HydrophobicContact CD1-CB 4.36Å; L782-K837 HydrophobicContact CD1-CG 3.88Å; E789-K837 IonicContact OE1-NZ 3.86Å; E789-K837 PolarHBondContact OE1-NZ 3.3Å; E789-K837 IonicContact OE2-NZ 3.55Å; E789-K837 PolarHBondContact OE2-NZ 2.86Å; H833-K837 WeakPolarHBondContact O-CB 3.23Å; H833-K837 PolarHBondContact O-N 3.18Å; N834-K837 PolarHBondContact OD1-NZ 2.8Å; K837-R839 VanDerWaalsContact C-N 3.29Å; K837-R839 PolarHBondContact O-N 2.77Å; K837-L840 PolarHBondContact O-N 2.95Å; K837-V841 VanDerWaalsContact O-CG2 3.29Å; K837-V841 WeakPolarHBondContact O-CG2 3.14Å; K837-V841 PolarHBondContact O-N 2.91Å |
| 838 | N | 74.9 | Confident | 71.5 | Confident | 30 Ų | 30 | 42.9 Ų | 42.9 | 16% | 0.16 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.8 | -40.2 | 178.6 | -68.7 | -15.4 | 0 | 0 | 0 | 111.1 | N834 N835 V841 S842 | N834-N838 VanDerWaalsContact O-CB 3.28Å; N834-N838 WeakPolarHBondContact O-CB 3.45Å; N834-N838 PolarHBondContact O-N 2.83Å; N834-N838 PolarHBondContact O-ND2 3.35Å; N835-N838 PolarHBondContact O-N 2.7Å; N838-V841 PolarHBondContact O-N 3.33Å; N838-S842 WeakPolarHBondContact O-CB 3.02Å; N838-S842 PolarHBondContact O-N 2.76Å |
| 839 | R | 75.4 | Confident | 73.3 | Confident | 118 Ų | 118 | 38.8 Ų | 38.8 | 45% | 0.445 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -63.9 | -42.9 | 176.4 | -170.7 | 62.6 | 174.6 | -173.6 | -0 | 112.5 | D688 N835 A836 K837 S842 L843 | D688-R839 IonicContact OD1-CZ 2.85Å; D688-R839 IonicContact OD1-NE 3.18Å; D688-R839 PolarHBondContact OD1-NE 2.97Å; D688-R839 IonicContact OD1-NH2 3.36Å; D688-R839 IonicContact OD2-CZ 3.27Å; D688-R839 VanDerWaalsContact OD2-CZ 3.3Å; D688-R839 IonicContact OD2-NE 2.7Å; D688-R839 PolarHBondContact OD2-NE 2.8Å; D688-R839 IonicContact OD2-NH2 3.76Å; D688-R839 PolarHBondContact OD2-NH2 2.85Å; N835-R839 VanDerWaalsContact O-CB 3.26Å; N835-R839 WeakPolarHBondContact O-CB 3.34Å; N835-R839 PolarHBondContact O-N 3.39Å; A836-R839 PolarHBondContact O-N 2.83Å; K837-R839 VanDerWaalsContact C-N 3.29Å; K837-R839 PolarHBondContact O-N 2.77Å; R839-S842 WeakPolarHBondContact O-CB 3.16Å; R839-S842 PolarHBondContact O-N 3.08Å; R839-L843 WeakPolarHBondContact O-CB 3.08Å; R839-L843 PolarHBondContact O-N 3.25Å |
| 840 | L | 82 | Confident | 74.6 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -66.4 | -42.3 | 176.3 | -80.1 | 170 | 0 | 0 | 0 | 113 | L684 L687 A778 L781 L782 I785 A836 K837 S842 L843 I844 | L684-L840 HydrophobicContact CD2-CD1 4.04Å; L684-L840 HydrophobicContact CD2-CD2 3.31Å; L684-L840 HydrophobicContact CD2-CG 3.41Å; L684-L840 VanDerWaalsContact CD2-CG 3.41Å; L687-L840 HydrophobicContact CD1-CD2 4.28Å; A778-L840 HydrophobicContact CB-CD2 3.97Å; L781-L840 HydrophobicContact CB-CD1 4.33Å; L781-L840 HydrophobicContact CD2-CD1 4.27Å; L781-L840 HydrophobicContact CD2-CD2 4.19Å; L781-L840 HydrophobicContact CG-CD1 3.99Å; L782-L840 HydrophobicContact CB-CB 4.38Å; L782-L840 HydrophobicContact CB-CD1 4.1Å; L782-L840 HydrophobicContact CD1-CB 4.02Å; L782-L840 HydrophobicContact CD1-CD1 4.28Å; I785-L840 HydrophobicContact CD1-CD1 3.61Å; A836-L840 WeakPolarHBondContact O-CG 3.16Å; A836-L840 PolarHBondContact O-N 3.24Å; K837-L840 PolarHBondContact O-N 2.95Å; L840-S842 VanDerWaalsContact C-N 3.28Å; L840-S842 PolarHBondContact O-N 3.05Å; L840-L843 PolarHBondContact O-N 2.97Å; L840-I844 WeakPolarHBondContact O-CB 3.25Å; L840-I844 WeakPolarHBondContact O-CD1 3.49Å; L840-I844 VanDerWaalsContact O-CG1 3.24Å; L840-I844 WeakPolarHBondContact O-CG1 2.83Å; L840-I844 PolarHBondContact O-N 2.79Å |
| 841 | V | 81.8 | Confident | 75.9 | Confident | 13 Ų | 13 | 27 Ų | 27 | 8% | 0.079 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -59.3 | -45.3 | 175.8 | 169.5 | 0 | 0 | 0 | 0 | 110.1 | P634 L635 L782 K837 N838 I844 Q845 | P634-V841 HydrophobicContact CG-CG1 4.3Å; L635-V841 HydrophobicContact CB-CG2 4.06Å; L782-V841 HydrophobicContact CD1-CG2 4.25Å; L782-V841 HydrophobicContact CD2-CG2 3.96Å; K837-V841 VanDerWaalsContact O-CG2 3.29Å; K837-V841 WeakPolarHBondContact O-CG2 3.14Å; K837-V841 PolarHBondContact O-N 2.91Å; N838-V841 PolarHBondContact O-N 3.33Å; V841-I844 PolarHBondContact O-N 3.19Å; V841-Q845 WeakPolarHBondContact O-CB 3.34Å; V841-Q845 VanDerWaalsContact O-CG 3.29Å; V841-Q845 WeakPolarHBondContact O-CG 3.3Å; V841-Q845 PolarHBondContact O-N 2.93Å |
| 842 | S | 74.5 | Confident | 76.7 | Confident | 15 Ų | 15 | 24.1 Ų | 24.1 | 11% | 0.105 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -57.3 | -49.1 | 174.2 | 169.5 | 0 | 0 | 0 | 0 | 112.5 | N838 R839 L840 Q845 S846 W1066 | N838-S842 WeakPolarHBondContact O-CB 3.02Å; N838-S842 PolarHBondContact O-N 2.76Å; R839-S842 WeakPolarHBondContact O-CB 3.16Å; R839-S842 PolarHBondContact O-N 3.08Å; L840-S842 VanDerWaalsContact C-N 3.28Å; L840-S842 PolarHBondContact O-N 3.05Å; S842-Q845 PolarHBondContact O-N 3.23Å; S842-S846 PolarHBondContact O-N 3.22Å; S842-S846 PolarHBondContact O-OG 3.14Å; S842-W1066 VanDerWaalsContact CB-CB 3.41Å; S842-W1066 WeakPolarHBondContact OG-CB 3.43Å |
| 843 | L | 77.6 | Confident | 77.1 | Confident | 9 Ų | 9 | 22.3 Ų | 22.3 | 5% | 0.047 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -64.2 | -42.7 | 179.5 | -177 | 117.5 | 0 | 0 | 0 | 112.7 | L687 D688 A778 R839 L840 Q845 S846 L847 | L687-L843 HydrophobicContact CB-CD1 4.05Å; L687-L843 HydrophobicContact CB-CD2 3.86Å; L687-L843 HydrophobicContact CD1-CD2 4.32Å; L687-L843 HydrophobicContact CD2-CD2 4.47Å; L687-L843 HydrophobicContact CG-CD2 4.45Å; D688-L843 WeakPolarHBondContact OD1-CD1 3.4Å; A778-L843 HydrophobicContact CB-CD2 3.47Å; A778-L843 VanDerWaalsContact CB-CD2 3.47Å; R839-L843 WeakPolarHBondContact O-CB 3.08Å; R839-L843 PolarHBondContact O-N 3.25Å; L840-L843 PolarHBondContact O-N 2.97Å; L843-Q845 VanDerWaalsContact C-N 3.29Å; L843-Q845 PolarHBondContact O-N 3.02Å; L843-S846 WeakPolarHBondContact CA-OG 3.46Å; L843-S846 PolarHBondContact O-N 3.21Å; L843-S846 PolarHBondContact O-OG 3.29Å; L843-L847 HydrophobicContact CD2-CD1 3.65Å; L843-L847 HydrophobicContact CG-CD1 3.88Å; L843-L847 HydrophobicContact CG-CG 4.37Å; L843-L847 WeakPolarHBondContact O-CB 3.31Å; L843-L847 VanDerWaalsContact O-CG 3.31Å; L843-L847 WeakPolarHBondContact O-CG 3.17Å; L843-L847 PolarHBondContact O-N 3.5Å |
| 844 | I | 82.2 | Confident | 77.3 | Confident | 4 Ų | 4 | 21 Ų | 21 | 2% | 0.021 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -61.8 | -41 | 176.7 | -70.6 | 162.9 | 0 | 0 | 0 | 110.2 | L622 P634 I775 A778 F779 L782 L840 V841 G848 | L622-I844 HydrophobicContact CD1-CG2 3.84Å; P634-I844 HydrophobicContact CB-CD1 4.3Å; P634-I844 HydrophobicContact CB-CG2 4.06Å; P634-I844 HydrophobicContact CG-CB 4.25Å; P634-I844 HydrophobicContact CG-CG2 3.73Å; I775-I844 HydrophobicContact CG2-CG2 4.26Å; A778-I844 HydrophobicContact CB-CD1 4.21Å; A778-I844 HydrophobicContact CB-CG1 3.68Å; F779-I844 HydrophobicContact CB-CD1 4.24Å; F779-I844 HydrophobicContact CD2-CD1 4.28Å; L782-I844 HydrophobicContact CB-CD1 4.4Å; L782-I844 HydrophobicContact CD2-CD1 3.82Å; L840-I844 WeakPolarHBondContact O-CB 3.25Å; L840-I844 WeakPolarHBondContact O-CD1 3.49Å; L840-I844 VanDerWaalsContact O-CG1 3.24Å; L840-I844 WeakPolarHBondContact O-CG1 2.83Å; L840-I844 PolarHBondContact O-N 2.79Å; V841-I844 PolarHBondContact O-N 3.19Å; I844-G848 PolarHBondContact O-N 2.84Å |
| 845 | Q | 78.2 | Confident | 77.3 | Confident | 8 Ų | 8 | 21.8 Ų | 21.8 | 4% | 0.037 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -70 | -38.9 | 179.2 | -71 | 176.9 | -41 | 0 | 0 | 112.4 | P634 V841 S842 L843 G848 F849 W1066 | P634-Q845 HydrophobicContact CG-CG 3.93Å; V841-Q845 WeakPolarHBondContact O-CB 3.34Å; V841-Q845 VanDerWaalsContact O-CG 3.29Å; V841-Q845 WeakPolarHBondContact O-CG 3.3Å; V841-Q845 PolarHBondContact O-N 2.93Å; S842-Q845 PolarHBondContact O-N 3.23Å; L843-Q845 VanDerWaalsContact C-N 3.29Å; L843-Q845 PolarHBondContact O-N 3.02Å; Q845-G848 PolarHBondContact O-N 3.08Å; Q845-F849 PolarHBondContact O-N 2.84Å; Q845-W1066 HydrophobicContact CB-CD2 4.09Å; Q845-W1066 HydrophobicContact CB-CG 4.38Å; Q845-W1066 HydrophobicContact CB-CH2 4.47Å; Q845-W1066 HydrophobicContact CB-CZ2 3.89Å |
| 846 | S | 75.4 | Confident | 77.4 | Confident | 8 Ų | 8 | 18.2 Ų | 18.2 | 6% | 0.056 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -68.6 | -44.4 | 176.9 | 69.9 | 0 | 0 | 0 | 0 | 112.6 | S842 L843 G848 F849 L850 W1066 | S842-S846 PolarHBondContact O-N 3.22Å; S842-S846 PolarHBondContact O-OG 3.14Å; L843-S846 WeakPolarHBondContact CA-OG 3.46Å; L843-S846 PolarHBondContact O-N 3.21Å; L843-S846 PolarHBondContact O-OG 3.29Å; S846-G848 VanDerWaalsContact C-N 3.32Å; S846-F849 WeakPolarHBondContact O-CB 3.26Å; S846-F849 PolarHBondContact O-N 3.12Å; S846-L850 PolarHBondContact O-N 3.45Å; S846-W1066 VanDerWaalsContact CA-CZ3 3.49Å |
| 847 | L | 79.2 | Confident | 77.2 | Confident | 2 Ų | 2 | 23.1 Ų | 23.1 | 1% | 0.01 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -65.8 | -38 | 174.1 | -68.6 | 171.3 | 0 | 0 | 0 | 111.2 | T771 R774 I775 L843 F849 L850 H851 | T771-L847 HydrophobicContact CG2-CD2 4.49Å; R774-L847 HydrophobicContact CB-CD1 3.64Å; I775-L847 HydrophobicContact CD1-CB 3.87Å; I775-L847 HydrophobicContact CG1-CB 3.43Å; I775-L847 VanDerWaalsContact CG1-CB 3.43Å; I775-L847 HydrophobicContact CG1-CD1 4.17Å; I775-L847 HydrophobicContact CG1-CG 4.46Å; L843-L847 HydrophobicContact CD2-CD1 3.65Å; L843-L847 HydrophobicContact CG-CD1 3.88Å; L843-L847 HydrophobicContact CG-CG 4.37Å; L843-L847 WeakPolarHBondContact O-CB 3.31Å; L843-L847 VanDerWaalsContact O-CG 3.31Å; L843-L847 WeakPolarHBondContact O-CG 3.17Å; L843-L847 PolarHBondContact O-N 3.5Å; L847-F849 VanDerWaalsContact C-N 3.27Å; L847-F849 PolarHBondContact O-N 3.03Å; L847-L850 HydrophobicContact CD2-CD1 4.46Å; L847-L850 PolarHBondContact O-N 3.36Å; L847-H851 WeakPolarHBondContact O-CB 3.27Å; L847-H851 PolarHBondContact O-N 3.11Å |
| 848 | G | 79.8 | Confident | 76.4 | Confident | 10 Ų | 10 | 22.6 Ų | 22.6 | 10% | 0.103 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -60.4 | -36.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | I844 Q845 S846 N852 | I844-G848 PolarHBondContact O-N 2.84Å; Q845-G848 PolarHBondContact O-N 3.08Å; S846-G848 VanDerWaalsContact C-N 3.32Å; G848-N852 PolarHBondContact O-N 2.94Å; G848-N852 VanDerWaalsContact O-N 3.11Å; G848-N852 PolarHBondContact O-ND2 3.47Å |
| 849 | F | 79.8 | Confident | 75.8 | Confident | 1 Ų | 1 | 28 Ų | 28 | 0% | 0.004 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -62.7 | -49.2 | 171.7 | -177.1 | -90.4 | 0 | 0 | 0 | 111.8 | Q845 S846 L847 H851 N852 L853 P956 I964 L983 L986 L987 W1066 | Q845-F849 PolarHBondContact O-N 2.84Å; S846-F849 WeakPolarHBondContact O-CB 3.26Å; S846-F849 PolarHBondContact O-N 3.12Å; L847-F849 VanDerWaalsContact C-N 3.27Å; L847-F849 PolarHBondContact O-N 3.03Å; F849-H851 PolarHBondContact O-N 3.2Å; F849-N852 PolarHBondContact O-N 3.43Å; F849-L853 HydrophobicContact CD1-CD1 4.3Å; F849-L853 HydrophobicContact CE1-CD1 3.89Å; F849-L853 HydrophobicContact CE1-CD2 4.37Å; F849-L853 HydrophobicContact CE1-CG 4.27Å; F849-L853 HydrophobicContact CZ-CD2 4.45Å; F849-L853 PolarHBondContact O-N 2.99Å; F849-P956 HydrophobicContact CB-CG 4.21Å; F849-P956 HydrophobicContact CD1-CG 3.8Å; F849-P956 HydrophobicContact CE1-CG 4.33Å; F849-P956 HydrophobicContact CG-CG 3.96Å; F849-I964 HydrophobicContact CE1-CD1 4.18Å; F849-I964 HydrophobicContact CE1-CG1 3.97Å; F849-I964 HydrophobicContact CZ-CD1 4.21Å; F849-I964 HydrophobicContact CZ-CG1 4.08Å; F849-I964 HydrophobicContact CZ-CG2 3.84Å; F849-L983 HydrophobicContact CD2-CD2 4.22Å; F849-L983 HydrophobicContact CE2-CB 4.09Å; F849-L983 HydrophobicContact CE2-CD2 3.8Å; F849-L983 HydrophobicContact CE2-CG 4.37Å; F849-L983 HydrophobicContact CZ-CD2 4.28Å; F849-L986 HydrophobicContact CB-CD1 4.39Å; F849-L986 HydrophobicContact CD2-CB 3.96Å; F849-L986 HydrophobicContact CD2-CD1 3.85Å; F849-L986 HydrophobicContact CG-CD1 4.49Å; F849-L987 HydrophobicContact CD2-CD2 3.91Å; F849-L987 HydrophobicContact CD2-CG 4.22Å; F849-L987 HydrophobicContact CE2-CD1 4.06Å; F849-L987 HydrophobicContact CE2-CD2 3.99Å; F849-L987 HydrophobicContact CE2-CG 4.05Å; F849-W1066 HydrophobicContact CB-CH2 4.38Å |
| 850 | L | 76.5 | Confident | 75 | Confident | 6 Ų | 6 | 26.8 Ų | 26.8 | 3% | 0.031 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -60.7 | -43.9 | 178.1 | -70.2 | 174 | 0 | 0 | 0 | 112.5 | T771 S846 L847 N852 L853 T854 L954 | T771-L850 HydrophobicContact CG2-CB 4.01Å; S846-L850 PolarHBondContact O-N 3.45Å; L847-L850 HydrophobicContact CD2-CD1 4.46Å; L847-L850 PolarHBondContact O-N 3.36Å; L850-N852 VanDerWaalsContact C-N 3.32Å; L850-N852 PolarHBondContact O-N 3.34Å; L850-L853 HydrophobicContact CD2-CD1 4.49Å; L850-L853 WeakPolarHBondContact O-CB 3.44Å; L850-L853 PolarHBondContact O-N 3.45Å; L850-T854 PolarHBondContact O-N 3.11Å; L850-L954 HydrophobicContact CD2-CB 3.52Å |
| 851 | H | 80.2 | Confident | 73.8 | Confident | 16 Ų | 16 | 29.7 Ų | 29.7 | 7% | 0.074 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -58 | -45.7 | 176.3 | 180 | 82.4 | 0 | 0 | 0 | 110.9 | A768 E772 I775 L847 F849 L853 T854 V855 | A768-H851 PolarHBondContact O-ND1 3.39Å; E772-H851 IonicContact OE2-CE1 2.74Å; I775-H851 HydrophobicContact CD1-CB 4.16Å; L847-H851 WeakPolarHBondContact O-CB 3.27Å; L847-H851 PolarHBondContact O-N 3.11Å; F849-H851 PolarHBondContact O-N 3.2Å; H851-L853 VanDerWaalsContact C-N 3.29Å; H851-L853 PolarHBondContact O-N 2.87Å; H851-T854 PolarHBondContact O-N 3.47Å; H851-T854 PolarHBondContact O-OG1 2.78Å; H851-V855 PolarHBondContact O-N 2.97Å |
| 852 | N | 79.7 | Confident | 72.5 | Confident | 23 Ų | 23 | 31 Ų | 31 | 12% | 0.123 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -59.8 | -35.2 | 178 | -84.3 | -68.9 | 0 | 0 | 0 | 112.8 | F623 G848 F849 L850 T854 V855 V856 L986 | F623-N852 PolarHBondContact O-ND2 3.08Å; G848-N852 PolarHBondContact O-N 2.94Å; G848-N852 VanDerWaalsContact O-N 3.11Å; G848-N852 PolarHBondContact O-ND2 3.47Å; F849-N852 PolarHBondContact O-N 3.43Å; L850-N852 VanDerWaalsContact C-N 3.32Å; L850-N852 PolarHBondContact O-N 3.34Å; N852-T854 PolarHBondContact O-N 2.69Å; N852-V855 PolarHBondContact O-N 3.14Å; N852-V856 HydrophobicContact CB-CG2 4.14Å; N852-V856 WeakPolarHBondContact O-CB 3.25Å; N852-V856 WeakPolarHBondContact O-CG2 3.27Å; N852-V856 PolarHBondContact O-N 3.06Å; N852-L986 HydrophobicContact CB-CD1 3.92Å |
| 853 | L | 78.2 | Confident | 71.7 | Confident | 2 Ų | 2 | 35.7 Ų | 35.7 | 1% | 0.01 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.5 | -32 | 174.7 | -60.5 | 179.4 | 0 | 0 | 0 | 113 | F849 L850 H851 I911 F912 L954 V967 L983 | F849-L853 HydrophobicContact CD1-CD1 4.3Å; F849-L853 HydrophobicContact CE1-CD1 3.89Å; F849-L853 HydrophobicContact CE1-CD2 4.37Å; F849-L853 HydrophobicContact CE1-CG 4.27Å; F849-L853 HydrophobicContact CZ-CD2 4.45Å; F849-L853 PolarHBondContact O-N 2.99Å; L850-L853 HydrophobicContact CD2-CD1 4.49Å; L850-L853 WeakPolarHBondContact O-CB 3.44Å; L850-L853 PolarHBondContact O-N 3.45Å; H851-L853 VanDerWaalsContact C-N 3.29Å; H851-L853 PolarHBondContact O-N 2.87Å; L853-I911 HydrophobicContact CD2-CB 4.32Å; L853-I911 HydrophobicContact CD2-CD1 4.36Å; L853-I911 HydrophobicContact CD2-CG2 3.78Å; L853-F912 WeakPolarHBondContact O-CB 3.41Å; L853-F912 PolarHBondContact O-N 3.38Å; L853-L954 HydrophobicContact CD1-CB 4.2Å; L853-L954 HydrophobicContact CD1-CD1 3.87Å; L853-V967 HydrophobicContact CD2-CG1 3.99Å; L853-L983 HydrophobicContact CD2-CD1 3.86Å; L853-L983 HydrophobicContact CD2-CD2 4.01Å |
| 854 | T | 72.8 | Confident | 70.9 | Confident | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.006 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -84.8 | -21.2 | -178.1 | 66.3 | 0 | 0 | 0 | 0 | 114.2 | R764 L767 A768 L850 H851 N852 T910 F912 | R764-T854 WeakPolarHBondContact CD-O 3.27Å; R764-T854 PolarHBondContact NH1-O 2.96Å; L767-T854 HydrophobicContact CB-CG2 4.07Å; L767-T854 HydrophobicContact CD2-CG2 3.69Å; L767-T854 HydrophobicContact CG-CG2 3.87Å; A768-T854 WeakPolarHBondContact CA-OG1 3.48Å; A768-T854 VanDerWaalsContact CB-OG1 3.22Å; A768-T854 WeakPolarHBondContact CB-OG1 3.44Å; L850-T854 PolarHBondContact O-N 3.11Å; H851-T854 PolarHBondContact O-N 3.47Å; H851-T854 PolarHBondContact O-OG1 2.78Å; N852-T854 PolarHBondContact O-N 2.69Å; T854-T910 WeakPolarHBondContact O-CG2 3.28Å; T854-F912 HydrophobicContact CG2-CB 4.37Å; T854-F912 HydrophobicContact CG2-CD2 4.26Å; T854-F912 HydrophobicContact CG2-CG 4.42Å |
| 855 | V | 70.8 | Confident | 70.1 | Confident | 73 Ų | 73 | 46.5 Ų | 46.5 | 44% | 0.442 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -105.9 | -40.7 | -174.4 | 177.6 | 0 | 0 | 0 | 0 | 111.9 | H851 N852 R857 | H851-V855 PolarHBondContact O-N 2.97Å; N852-V855 PolarHBondContact O-N 3.14Å; V855-R857 PolarHBondContact O-N 3.16Å; V855-R857 VanDerWaalsContact O-N 3.11Å |
| 856 | V | 71.5 | Confident | 69.8 | Low | 20 Ų | 20 | 51.8 Ų | 51.8 | 12% | 0.121 | 27% | 0.265 | C | S | . | . | trans | -65.9 | 114.5 | -176.1 | 172.7 | 0 | 0 | 0 | 0 | 109.7 | N852 T910 I911 E979 | N852-V856 HydrophobicContact CB-CG2 4.14Å; N852-V856 WeakPolarHBondContact O-CB 3.25Å; N852-V856 WeakPolarHBondContact O-CG2 3.27Å; N852-V856 PolarHBondContact O-N 3.06Å; V856-T910 VanDerWaalsContact O-CA 3.23Å; V856-T910 WeakPolarHBondContact O-CA 3.13Å; V856-T910 WeakPolarHBondContact O-CB 3.49Å; V856-I911 HydrophobicContact CB-CD1 4Å; V856-I911 HydrophobicContact CB-CG1 4.47Å; V856-I911 HydrophobicContact CG1-CD1 3.73Å; V856-I911 HydrophobicContact CG1-CG1 4.25Å; V856-I911 PolarHBondContact O-N 3.21Å; V856-E979 HydrophobicContact CG1-CG 4.2Å; V856-E979 WeakPolarHBondContact CG1-OE2 3.48Å | ||
| 857 | R | 68.6 | Low | 69.7 | Low | 113 Ų | 113 | 52 Ų | 52 | 43% | 0.426 | 27% | 0.265 | S | S | . | . | B | Isolated β-bridge | trans | -84.5 | 134.5 | 174.1 | -71.8 | -179.4 | -175.5 | -136.2 | 17.2 | 110.8 | V855 R859 G908 L909 T910 | V855-R857 PolarHBondContact O-N 3.16Å; V855-R857 VanDerWaalsContact O-N 3.11Å; R857-R859 PolarHBondContact O-N 3.37Å; R857-G908 WeakPolarHBondContact CD-O 3.31Å; R857-G908 PolarHBondContact NH1-O 3.06Å; R857-G908 VanDerWaalsContact NH1-O 3.09Å; R857-L909 WeakPolarHBondContact CA-O 3.18Å; R857-T910 HydrophobicContact CG-CG2 3.78Å |
| 858 | V | 65.4 | Low | 69.6 | Low | 2 Ų | 2 | 54.5 Ų | 54.5 | 1% | 0.012 | 28% | 0.283 | C | S | . | . | P | Polyproline II helix | trans | -77 | 119 | 176.4 | -177.7 | 0 | 0 | 0 | 0 | 108.6 | G908 L909 I911 Q914 L971 H976 | V858-G908 PolarHBondContact O-N 3.44Å; V858-L909 PolarHBondContact N-O 3.26Å; V858-I911 HydrophobicContact CG2-CG1 3.73Å; V858-Q914 VanDerWaalsContact CB-NE2 3.26Å; V858-Q914 VanDerWaalsContact CG1-NE2 3.29Å; V858-Q914 HydrophobicContact CG2-CG 4.46Å; V858-L971 HydrophobicContact CG2-CD2 4.45Å; V858-H976 HydrophobicContact CG1-CB 4.49Å; V858-H976 VanDerWaalsContact CG1-CD2 3.42Å; V858-H976 WeakPolarHBondContact CG1-CD2 3.4Å; V858-H976 WeakPolarHBondContact CG1-CE1 3.42Å; V858-H976 VanDerWaalsContact CG1-ND1 3.33Å; V858-H976 WeakPolarHBondContact CG1-ND1 3.12Å; V858-H976 WeakPolarHBondContact CG1-NE2 2.81Å |
| 859 | R | 63.2 | Low | 69.6 | Low | 144 Ų | 144 | 57.6 Ų | 57.6 | 54% | 0.543 | 30% | 0.296 | S | S | . | . | P | Polyproline II helix | trans | -62.8 | 153.3 | 178.4 | -69.8 | -177.6 | 178 | 171.9 | -1 | 110 | R857 T861 H976 N978 | R857-R859 PolarHBondContact O-N 3.37Å; R859-T861 PolarHBondContact O-N 3.25Å; R859-H976 PolarHBondContact O-CE1 2.99Å; R859-N978 PolarHBondContact NH1-ND2 2.83Å |
| 860 | P | 58.4 | Low | 69.7 | Low | 93 Ų | 93 | 57.8 Ų | 57.8 | 60% | 0.604 | 30% | 0.297 | S | S | * | . | P | Polyproline II helix | trans | -49.5 | 137 | 171.9 | 16.3 | -27.5 | 0 | 0 | 0 | 111 | P907 | P860-P907 HydrophobicContact CB-CB 3.83Å; P860-P907 HydrophobicContact CB-CG 4.17Å |
| 861 | T | 56.3 | Low | 69.8 | Low | 61 Ų | 61 | 62.6 Ų | 62.6 | 37% | 0.374 | 32% | 0.315 | S | S | . | . | P | Polyproline II helix | trans | -50.5 | 137.4 | -178.6 | 47 | 0 | 0 | 0 | 0 | 110 | R859 | R859-T861 PolarHBondContact O-N 3.25Š|
| 862 | P | 54.5 | Low | 69.8 | Low | 39 Ų | 39 | 65.5 Ų | 65.5 | 25% | 0.253 | 33% | 0.331 | S | S | . | . | P | Polyproline II helix | trans | -59.5 | 161.8 | 171.6 | 26.3 | -32 | 0 | 0 | 0 | 110.4 | K866 L867 | P862-K866 HydrophobicContact CB-CB 4.18Å; P862-K866 HydrophobicContact CB-CD 4.09Å; P862-L867 HydrophobicContact CG-CD2 4.28Å; P862-L867 HydrophobicContact CG-CG 4.46Å |
| 863 | D | 57.7 | Low | 70.1 | Confident | 114 Ų | 114 | 64.5 Ų | 64.5 | 61% | 0.61 | 33% | 0.325 | S | S | * | . | trans | -41.2 | 143.1 | -179.4 | -147.9 | -15.7 | 0 | 0 | 0 | 112.7 | D865 K866 L867 | D863-D865 PolarHBondContact O-N 3.47Å; D863-D865 VanDerWaalsContact O-N 3.08Å; D863-K866 HydrophobicContact CB-CG 4.44Å; D863-K866 WeakPolarHBondContact O-CA 3.18Å; D863-K866 WeakPolarHBondContact O-CB 3.1Å; D863-K866 PolarHBondContact O-N 3.31Å; D863-L867 PolarHBondContact O-N 3.47Å | ||
| 864 | M | 59.6 | Low | 70.3 | Confident | 124 Ų | 124 | 64.4 Ų | 64.4 | 61% | 0.611 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -57.1 | -32.5 | -173 | -76.3 | -64 | -60.7 | 0 | 0 | 112.3 | K866 L867 S868 | M864-K866 VanDerWaalsContact C-N 3.34Å; M864-K866 PolarHBondContact O-N 2.92Å; M864-L867 PolarHBondContact O-N 3.22Å; M864-L867 HydrophobicContact SD-CD1 4.16Å; M864-S868 PolarHBondContact O-N 3.33Å; M864-S868 VanDerWaalsContact O-N 3.14Å |
| 865 | D | 65.6 | Low | 70.7 | Confident | 116 Ų | 116 | 67.2 Ų | 67.2 | 62% | 0.62 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -67.9 | -30.9 | 175.9 | -61.8 | -19.3 | 0 | 0 | 0 | 112.7 | D863 S868 I869 | D863-D865 PolarHBondContact O-N 3.47Å; D863-D865 VanDerWaalsContact O-N 3.08Å; D865-S868 PolarHBondContact O-OG 2.99Å; D865-I869 WeakPolarHBondContact O-CD1 3.37Å; D865-I869 WeakPolarHBondContact O-CG1 3.42Å; D865-I869 PolarHBondContact O-N 3.38Å |
| 866 | K | 72.1 | Confident | 71.1 | Confident | 120 Ų | 120 | 65.5 Ų | 65.5 | 52% | 0.522 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -72.3 | -35.8 | 172.8 | -68.5 | -173.6 | 177 | -174.1 | 0 | 111 | P862 D863 M864 I869 I870 | P862-K866 HydrophobicContact CB-CB 4.18Å; P862-K866 HydrophobicContact CB-CD 4.09Å; D863-K866 HydrophobicContact CB-CG 4.44Å; D863-K866 WeakPolarHBondContact O-CA 3.18Å; D863-K866 WeakPolarHBondContact O-CB 3.1Å; D863-K866 PolarHBondContact O-N 3.31Å; M864-K866 VanDerWaalsContact C-N 3.34Å; M864-K866 PolarHBondContact O-N 2.92Å; K866-I869 PolarHBondContact O-N 3.08Å; K866-I870 WeakPolarHBondContact O-CB 3.38Å; K866-I870 WeakPolarHBondContact O-CD1 3.17Å; K866-I870 WeakPolarHBondContact O-CG1 3.21Å; K866-I870 PolarHBondContact O-N 3.11Å |
| 867 | L | 73.5 | Confident | 71.5 | Confident | 13 Ų | 13 | 64.6 Ų | 64.6 | 7% | 0.068 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -67.5 | -35.6 | 178.2 | -75.8 | 176.6 | 0 | 0 | 0 | 112.9 | P862 D863 M864 I870 R871 C974 | P862-L867 HydrophobicContact CG-CD2 4.28Å; P862-L867 HydrophobicContact CG-CG 4.46Å; D863-L867 PolarHBondContact O-N 3.47Å; M864-L867 PolarHBondContact O-N 3.22Å; M864-L867 HydrophobicContact SD-CD1 4.16Å; L867-I870 PolarHBondContact O-N 3.38Å; L867-R871 WeakPolarHBondContact O-CG 3.08Å; L867-R871 PolarHBondContact O-N 2.8Å; L867-C974 WeakPolarHBondContact CD2-O 3.27Å |
| 868 | S | 76.7 | Confident | 71.5 | Confident | 54 Ų | 54 | 59.3 Ų | 59.3 | 38% | 0.378 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -63.2 | -47.4 | 173.9 | 56.1 | 0 | 0 | 0 | 0 | 111.1 | M864 D865 I870 R871 D872 | M864-S868 PolarHBondContact O-N 3.33Å; M864-S868 VanDerWaalsContact O-N 3.14Å; D865-S868 PolarHBondContact O-OG 2.99Å; S868-I870 VanDerWaalsContact C-N 3.3Å; S868-I870 PolarHBondContact O-N 3.26Å; S868-R871 WeakPolarHBondContact O-CB 3.41Å; S868-R871 PolarHBondContact O-N 3.15Å; S868-R871 VanDerWaalsContact O-N 3.11Å; S868-D872 VanDerWaalsContact O-CG 3.32Å; S868-D872 PolarHBondContact O-N 3.26Å |
| 869 | I | 80.5 | Confident | 71.6 | Confident | 74 Ų | 74 | 59.4 Ų | 59.4 | 38% | 0.379 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -57.8 | -43.7 | 176.1 | -65.5 | 167.1 | 0 | 0 | 0 | 111.1 | D865 K866 D872 H873 | D865-I869 WeakPolarHBondContact O-CD1 3.37Å; D865-I869 WeakPolarHBondContact O-CG1 3.42Å; D865-I869 PolarHBondContact O-N 3.38Å; K866-I869 PolarHBondContact O-N 3.08Å; I869-D872 PolarHBondContact O-N 3.18Å; I869-H873 WeakPolarHBondContact CG2-CE1 3.29Å; I869-H873 PolarHBondContact O-CD2 3.16Å; I869-H873 PolarHBondContact O-N 3.34Å; I869-H873 PolarHBondContact O-ND1 3.2Å |
| 870 | I | 81.3 | Confident | 71 | Confident | 6 Ų | 6 | 56.8 Ų | 56.8 | 3% | 0.031 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.3 | -44.3 | 177.1 | -70.3 | 163.2 | 0 | 0 | 0 | 111.1 | K866 L867 S868 D872 H873 L874 W1084 | K866-I870 WeakPolarHBondContact O-CB 3.38Å; K866-I870 WeakPolarHBondContact O-CD1 3.17Å; K866-I870 WeakPolarHBondContact O-CG1 3.21Å; K866-I870 PolarHBondContact O-N 3.11Å; L867-I870 PolarHBondContact O-N 3.38Å; S868-I870 VanDerWaalsContact C-N 3.3Å; S868-I870 PolarHBondContact O-N 3.26Å; I870-D872 VanDerWaalsContact C-N 3.35Å; I870-H873 WeakPolarHBondContact O-CB 3.45Å; I870-H873 PolarHBondContact O-N 2.97Å; I870-L874 HydrophobicContact CG2-CD1 4.03Å; I870-L874 VanDerWaalsContact O-CG 3.31Å; I870-L874 WeakPolarHBondContact O-CG 3.03Å; I870-L874 PolarHBondContact O-N 3.45Å; I870-W1084 HydrophobicContact CD1-CB 4.33Å; I870-W1084 HydrophobicContact CD1-CD2 4.2Å; I870-W1084 HydrophobicContact CD1-CE3 4.34Å; I870-W1084 HydrophobicContact CD1-CG 4.19Å; I870-W1084 HydrophobicContact CG1-CB 4.34Å; I870-W1084 HydrophobicContact CG1-CD2 3.77Å; I870-W1084 HydrophobicContact CG1-CE3 4.3Å; I870-W1084 HydrophobicContact CG1-CG 3.76Å; I870-W1084 HydrophobicContact CG2-CD2 4.28Å; I870-W1084 HydrophobicContact CG2-CE3 4.35Å; I870-W1084 HydrophobicContact CG2-CH2 3.83Å; I870-W1084 HydrophobicContact CG2-CZ2 3.78Å; I870-W1084 HydrophobicContact CG2-CZ3 4.13Å |
| 871 | R | 79.9 | Confident | 70.7 | Confident | 106 Ų | 106 | 56.9 Ų | 56.9 | 40% | 0.4 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.8 | -42.3 | 176.3 | -75.4 | 175.6 | -179.8 | 172.1 | 0.9 | 111.6 | L867 S868 H873 L874 N875 | L867-R871 WeakPolarHBondContact O-CG 3.08Å; L867-R871 PolarHBondContact O-N 2.8Å; S868-R871 WeakPolarHBondContact O-CB 3.41Å; S868-R871 PolarHBondContact O-N 3.15Å; S868-R871 VanDerWaalsContact O-N 3.11Å; R871-H873 VanDerWaalsContact C-N 3.34Å; R871-H873 PolarHBondContact O-N 3.16Å; R871-L874 PolarHBondContact O-N 2.61Å; R871-N875 VanDerWaalsContact O-CB 3.28Å; R871-N875 WeakPolarHBondContact O-CB 3.47Å; R871-N875 PolarHBondContact O-N 3.02Å; R871-N875 PolarHBondContact O-ND2 3.44Å |
| 872 | D | 80.6 | Confident | 69.9 | Low | 78 Ų | 78 | 57.4 Ų | 57.4 | 42% | 0.417 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61.2 | -44.4 | 176.2 | -67.6 | -20 | 0 | 0 | 0 | 111 | S868 I869 I870 L874 N875 I876 V1188 | S868-D872 VanDerWaalsContact O-CG 3.32Å; S868-D872 PolarHBondContact O-N 3.26Å; I869-D872 PolarHBondContact O-N 3.18Å; I870-D872 VanDerWaalsContact C-N 3.35Å; D872-L874 PolarHBondContact O-N 3.21Å; D872-N875 PolarHBondContact O-N 3.4Å; D872-I876 WeakPolarHBondContact O-CD1 3.45Å; D872-I876 WeakPolarHBondContact O-CG1 3.32Å; D872-I876 PolarHBondContact O-N 3.24Å; D872-V1188 HydrophobicContact CB-CG1 4.44Å |
| 873 | H | 85 | Confident | 69.1 | Low | 1 Ų | 1 | 60.1 Ų | 60.1 | 1% | 0.005 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -58.1 | -44.6 | 174 | -66.9 | 164.5 | 0 | 0 | 0 | 113.4 | I869 I870 R871 I876 L877 W1084 I1185 S1189 | I869-H873 WeakPolarHBondContact CG2-CE1 3.29Å; I869-H873 PolarHBondContact O-CD2 3.16Å; I869-H873 PolarHBondContact O-N 3.34Å; I869-H873 PolarHBondContact O-ND1 3.2Å; I870-H873 WeakPolarHBondContact O-CB 3.45Å; I870-H873 PolarHBondContact O-N 2.97Å; R871-H873 VanDerWaalsContact C-N 3.34Å; R871-H873 PolarHBondContact O-N 3.16Å; H873-I876 PolarHBondContact O-N 3.07Å; H873-L877 PolarHBondContact O-N 3.28Å; H873-W1084 AromaticContact ND1-CD1 3.62Å; H873-W1084 AromaticContact ND1-NE1 3.24Å; H873-W1084 PolarHBondContact ND1-NE1 2.7Å; H873-I1185 HydrophobicContact CB-CG2 3.78Å; H873-I1185 VanDerWaalsContact CD2-CG2 3.41Å; H873-I1185 WeakPolarHBondContact CD2-CG2 3.49Å; H873-I1185 VanDerWaalsContact CG-CG2 3.42Å; H873-I1185 PolarHBondContact NE2-O 2.69Å; H873-S1189 PolarHBondContact CE1-OG 3.15Å; H873-S1189 PolarHBondContact NE2-OG 3.45Å |
| 874 | L | 82.9 | Confident | 68.1 | Low | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -70.7 | -37.9 | 179.5 | -65.4 | 172.6 | 0 | 0 | 0 | 111.8 | I870 R871 D872 I876 L877 G878 I879 L972 W973 W1084 | I870-L874 HydrophobicContact CG2-CD1 4.03Å; I870-L874 VanDerWaalsContact O-CG 3.31Å; I870-L874 WeakPolarHBondContact O-CG 3.03Å; I870-L874 PolarHBondContact O-N 3.45Å; R871-L874 PolarHBondContact O-N 2.61Å; D872-L874 PolarHBondContact O-N 3.21Å; L874-I876 VanDerWaalsContact C-N 3.34Å; L874-I876 PolarHBondContact O-N 3.17Å; L874-L877 CarbonylContact O-C 3.59Å; L874-L877 PolarHBondContact O-N 3.49Å; L874-G878 PolarHBondContact O-N 2.92Å; L874-I879 HydrophobicContact CB-CB 4.21Å; L874-I879 HydrophobicContact CB-CD1 4.35Å; L874-I879 HydrophobicContact CD2-CD1 3.74Å; L874-I879 PolarHBondContact O-N 3.46Å; L874-L972 WeakPolarHBondContact CD1-O 3.33Å; L874-L972 HydrophobicContact CD2-CB 4.33Å; L874-W973 HydrophobicContact CD1-CE3 4.14Å; L874-W1084 HydrophobicContact CD1-CH2 4.39Å; L874-W1084 HydrophobicContact CD2-CH2 4.02Å; L874-W1084 HydrophobicContact CD2-CZ2 4Å; L874-W1084 HydrophobicContact CG-CH2 4.38Å; L874-W1084 HydrophobicContact CG-CZ2 4.22Å |
| 875 | N | 80.2 | Confident | 66.6 | Low | 60 Ų | 60 | 58.3 Ų | 58.3 | 32% | 0.321 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -60.6 | -42.9 | 173.6 | -76.1 | -26.3 | 0 | 0 | 0 | 111.3 | R871 D872 L877 G878 I879 | R871-N875 VanDerWaalsContact O-CB 3.28Å; R871-N875 WeakPolarHBondContact O-CB 3.47Å; R871-N875 PolarHBondContact O-N 3.02Å; R871-N875 PolarHBondContact O-ND2 3.44Å; D872-N875 PolarHBondContact O-N 3.4Å; N875-L877 VanDerWaalsContact C-N 3.28Å; N875-L877 PolarHBondContact O-N 2.93Å; N875-G878 WeakPolarHBondContact O-CA 3.46Å; N875-G878 PolarHBondContact O-N 2.74Å; N875-I879 PolarHBondContact OD1-O 2.73Å |
| 876 | I | 79.6 | Confident | 65 | Low | 38 Ų | 38 | 58 Ų | 58 | 20% | 0.195 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -59.9 | -40 | 176.1 | -71.4 | 161.1 | 0 | 0 | 0 | 111.4 | D872 H873 L874 G878 K1181 S1184 I1185 V1188 | D872-I876 WeakPolarHBondContact O-CD1 3.45Å; D872-I876 WeakPolarHBondContact O-CG1 3.32Å; D872-I876 PolarHBondContact O-N 3.24Å; H873-I876 PolarHBondContact O-N 3.07Å; L874-I876 VanDerWaalsContact C-N 3.34Å; L874-I876 PolarHBondContact O-N 3.17Å; I876-G878 PolarHBondContact O-N 2.96Å; I876-K1181 WeakPolarHBondContact O-CE 3.37Å; I876-K1181 PolarHBondContact O-NZ 3.49Å; I876-K1181 VanDerWaalsContact O-NZ 3.08Å; I876-S1184 WeakPolarHBondContact CG2-OG 3.3Å; I876-I1185 HydrophobicContact CG2-CG1 4.34Å; I876-V1188 HydrophobicContact CD1-CB 4.15Å; I876-V1188 HydrophobicContact CD1-CG2 3.41Å; I876-V1188 VanDerWaalsContact CD1-CG2 3.41Å |
| 877 | L | 79.9 | Confident | 63 | Low | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | 0.6 | 174.9 | -70.6 | -177.1 | 0 | 0 | 0 | 113.6 | H873 L874 N875 L1080 F1138 E1141 F1142 K1181 L1182 I1185 | H873-L877 PolarHBondContact O-N 3.28Å; L874-L877 CarbonylContact O-C 3.59Å; L874-L877 PolarHBondContact O-N 3.49Å; N875-L877 VanDerWaalsContact C-N 3.28Å; N875-L877 PolarHBondContact O-N 2.93Å; L877-L1080 HydrophobicContact CD1-CD1 4Å; L877-L1080 HydrophobicContact CD1-CD2 4.07Å; L877-F1138 HydrophobicContact CB-CD1 3.44Å; L877-F1138 VanDerWaalsContact CB-CD1 3.44Å; L877-F1138 HydrophobicContact CB-CE1 3.47Å; L877-F1138 VanDerWaalsContact CB-CE1 3.47Å; L877-F1138 HydrophobicContact CB-CG 4.46Å; L877-F1138 HydrophobicContact CD1-CD1 4.18Å; L877-F1138 HydrophobicContact CD1-CE1 3.48Å; L877-F1138 VanDerWaalsContact CD1-CE1 3.48Å; L877-F1138 HydrophobicContact CD1-CZ 3.82Å; L877-F1138 HydrophobicContact CG-CD1 4.42Å; L877-F1138 HydrophobicContact CG-CE1 4.14Å; L877-F1138 WeakPolarHBondContact O-CD1 3.38Å; L877-E1141 WeakPolarHBondContact O-CB 3.33Å; L877-E1141 VanDerWaalsContact O-CG 3.25Å; L877-E1141 WeakPolarHBondContact O-CG 3.35Å; L877-F1142 HydrophobicContact CD2-CE2 3.74Å; L877-F1142 HydrophobicContact CD2-CZ 3.72Å; L877-K1181 HydrophobicContact CD2-CG 3.92Å; L877-L1182 HydrophobicContact CD2-CD2 4.14Å; L877-I1185 HydrophobicContact CD1-CD1 3.51Å; L877-I1185 HydrophobicContact CD2-CD1 3.71Å; L877-I1185 HydrophobicContact CD2-CG1 4.31Å; L877-I1185 HydrophobicContact CG-CD1 3.53Å; L877-I1185 HydrophobicContact CG-CG1 4.23Å |
| 878 | G | 68.8 | Low | 61 | Low | 2 Ų | 2 | 72.6 Ų | 72.6 | 2% | 0.021 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 83.9 | 11.1 | 175 | 0 | 0 | 0 | 0 | 0 | 114.9 | L874 N875 I876 H880 I882 | L874-G878 PolarHBondContact O-N 2.92Å; N875-G878 WeakPolarHBondContact O-CA 3.46Å; N875-G878 PolarHBondContact O-N 2.74Å; I876-G878 PolarHBondContact O-N 2.96Å; G878-H880 PolarHBondContact O-N 3.15Å; G878-I882 WeakPolarHBondContact O-CD1 3.38Å |
| 879 | I | 66.5 | Low | 58.7 | Low | 4 Ų | 4 | 76.7 Ų | 76.7 | 2% | 0.021 | 37% | 0.371 | C | S | . | . | trans | -75.6 | 87.6 | 159.7 | -61.9 | 165.9 | 0 | 0 | 0 | 106.1 | L874 N875 W969 W973 L1137 F1138 | L874-I879 HydrophobicContact CB-CB 4.21Å; L874-I879 HydrophobicContact CB-CD1 4.35Å; L874-I879 HydrophobicContact CD2-CD1 3.74Å; L874-I879 PolarHBondContact O-N 3.46Å; N875-I879 PolarHBondContact OD1-O 2.73Å; I879-W969 VanDerWaalsContact CG2-NE1 3.34Å; I879-W973 HydrophobicContact CG2-CE3 3.85Å; I879-W973 HydrophobicContact CG2-CZ3 3.76Å; I879-L1137 HydrophobicContact CD1-CD1 4.5Å; I879-L1137 HydrophobicContact CD1-CD2 4.36Å; I879-L1137 HydrophobicContact CD1-CG 4.04Å; I879-L1137 VanDerWaalsContact CG1-O 3.28Å; I879-L1137 WeakPolarHBondContact CG1-O 3.5Å; I879-F1138 HydrophobicContact CD1-CD1 3.6Å; I879-F1138 HydrophobicContact CD1-CE1 3.11Å; I879-F1138 HydrophobicContact CD1-CZ 3.8Å; I879-F1138 HydrophobicContact CG1-CD1 3.46Å; I879-F1138 VanDerWaalsContact CG1-CD1 3.46Å; I879-F1138 HydrophobicContact CG1-CE1 3.57Å; I879-F1138 HydrophobicContact CG1-CG 4.42Å | ||
| 880 | H | 51 | Low | 56.3 | Low | 89 Ų | 89 | 80.5 Ų | 80.5 | 41% | 0.412 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -101.2 | -172.9 | 158 | -155.5 | -87 | 0 | 0 | 0 | 107.6 | G878 I882 | G878-H880 PolarHBondContact O-N 3.15Å; H880-I882 HydrophobicContact CB-CG1 4.34Å; H880-I882 PolarHBondContact O-N 2.88Å |
| 881 | D | 51.8 | Low | 53.9 | Low | 95 Ų | 95 | 86.6 Ų | 86.6 | 51% | 0.508 | 43% | 0.43 | S | S | . | . | S | Bend | trans | -52.8 | 20.7 | 176.9 | -58.7 | -47 | 0 | 0 | 0 | 117.2 | L883 F884 | D881-L883 PolarHBondContact O-N 3.34Å; D881-F884 HydrophobicContact CB-CD2 4.13Å; D881-F884 HydrophobicContact CB-CE2 4.45Å; D881-F884 VanDerWaalsContact O-CD2 3.29Å; D881-F884 WeakPolarHBondContact O-CD2 3.41Å; D881-F884 PolarHBondContact O-N 3.08Å |
| 882 | I | 41.3 | Very low | 51.6 | Low | 73 Ų | 73 | 89.1 Ų | 89.1 | 37% | 0.374 | 45% | 0.452 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | 74.8 | 177.1 | -46.3 | 169.8 | 0 | 0 | 0 | 109.7 | G878 H880 P1139 K1140 | G878-I882 WeakPolarHBondContact O-CD1 3.38Å; H880-I882 HydrophobicContact CB-CG1 4.34Å; H880-I882 PolarHBondContact O-N 2.88Å; I882-P1139 HydrophobicContact CB-CG 4.45Å; I882-P1139 HydrophobicContact CD1-CG 4.13Å; I882-P1139 HydrophobicContact CG2-CG 3.87Å; I882-K1140 HydrophobicContact CD1-CB 4.32Å; I882-K1140 HydrophobicContact CD1-CD 3.47Å; I882-K1140 VanDerWaalsContact CD1-CD 3.47Å; I882-K1140 HydrophobicContact CD1-CG 3.51Å |
| 883 | L | 37.3 | Very low | 49.2 | Very low | 95 Ų | 95 | 89.8 Ų | 89.8 | 50% | 0.497 | 46% | 0.462 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -146.7 | 23.8 | 135.8 | -99.2 | 161.1 | 0 | 0 | 0 | 109.8 | D881 P885 W921 | D881-L883 PolarHBondContact O-N 3.34Å; L883-P885 WeakPolarHBondContact O-CD 3.29Å; L883-W921 HydrophobicContact CD1-CZ2 3.98Å |
| 884 | F | 35.2 | Very low | 46.5 | Very low | 103 Ų | 103 | 96.6 Ų | 96.6 | 45% | 0.452 | 50% | 0.504 | S | S | . | . | trans | -94.6 | 92.5 | 164.7 | -76.5 | -71.2 | 0 | 0 | 0 | 109.9 | D881 I886 L898 | D881-F884 HydrophobicContact CB-CD2 4.13Å; D881-F884 HydrophobicContact CB-CE2 4.45Å; D881-F884 VanDerWaalsContact O-CD2 3.29Å; D881-F884 WeakPolarHBondContact O-CD2 3.41Å; D881-F884 PolarHBondContact O-N 3.08Å; F884-I886 HydrophobicContact CB-CD1 3.87Å; F884-I886 HydrophobicContact CB-CG1 3.96Å; F884-I886 HydrophobicContact CD1-CD1 3.74Å; F884-I886 HydrophobicContact CD1-CG1 4.1Å; F884-I886 HydrophobicContact CG-CD1 3.96Å; F884-I886 HydrophobicContact CG-CG1 4.4Å; F884-I886 PolarHBondContact O-N 2.77Å; F884-L898 HydrophobicContact CE1-CB 4.42Å; F884-L898 VanDerWaalsContact CE1-O 3.3Å; F884-L898 WeakPolarHBondContact CE1-O 3.33Å; F884-L898 WeakPolarHBondContact CZ-O 3.27Å | ||
| 885 | P | 28.7 | Very low | 43.9 | Very low | 97 Ų | 97 | 102.9 Ų | 102.9 | 63% | 0.63 | 54% | 0.542 | S | S | * | . | trans | -75.2 | 72.1 | 159.4 | 33 | -31.3 | 0 | 0 | 0 | 107.9 | L883 E887 | L883-P885 WeakPolarHBondContact O-CD 3.29Å; P885-E887 VanDerWaalsContact C-N 3.32Å | ||
| 886 | I | 31.7 | Very low | 41.5 | Very low | 111 Ų | 111 | 104.4 Ų | 104.4 | 57% | 0.569 | 56% | 0.564 | S | S | * | * | trans | -75.1 | -24.7 | 175.1 | -73.5 | 167.1 | 0 | 0 | 0 | 110.8 | F884 | F884-I886 HydrophobicContact CB-CD1 3.87Å; F884-I886 HydrophobicContact CB-CG1 3.96Å; F884-I886 HydrophobicContact CD1-CD1 3.74Å; F884-I886 HydrophobicContact CD1-CG1 4.1Å; F884-I886 HydrophobicContact CG-CD1 3.96Å; F884-I886 HydrophobicContact CG-CG1 4.4Å; F884-I886 PolarHBondContact O-N 2.77Å | ||
| 887 | E | 30.9 | Very low | 39.1 | Very low | 195 Ų | 195 | 109.9 Ų | 109.9 | 91% | 0.911 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.7 | -8.6 | -171.1 | -72.9 | -174.5 | 165.4 | 0 | 0 | 116.2 | P885 | P885-E887 VanDerWaalsContact C-N 3.32Š|
| 888 | R | 31.4 | Very low | 36.5 | Very low | 243 Ų | 243 | 116.4 Ų | 116.4 | 92% | 0.917 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108 | 1.4 | 176.9 | -84.2 | -168.9 | -178.8 | -177.3 | 1 | 115.9 | ||
| 889 | L | 27.6 | Very low | 34.6 | Very low | 140 Ų | 140 | 121.3 Ų | 121.3 | 73% | 0.733 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -100.6 | 99.8 | 172.3 | -79 | 159.3 | 0 | 0 | 0 | 109.2 | T891 | L889-T891 PolarHBondContact O-N 2.83Š|
| 890 | N | 30.1 | Very low | 33.1 | Very low | 155 Ų | 155 | 124.7 Ų | 124.7 | 83% | 0.829 | 68% | 0.681 | S | S | * | * | trans | -17 | 120.7 | 173.3 | -95.5 | -28.3 | 0 | 0 | 0 | 114.5 | N892 | N890-N892 PolarHBondContact O-N 3.33Š| ||
| 891 | T | 31.4 | Very low | 32.5 | Very low | 133 Ų | 133 | 124 Ų | 124 | 82% | 0.816 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -64.7 | 20.8 | -167.6 | 44.3 | 0 | 0 | 0 | 0 | 117.2 | L889 | L889-T891 PolarHBondContact O-N 2.83Š|
| 892 | N | 32.2 | Very low | 32.1 | Very low | 160 Ų | 160 | 122 Ų | 122 | 86% | 0.856 | 68% | 0.677 | S | S | * | * | trans | -113.7 | 18.3 | -173.4 | -74.6 | -12.5 | 0 | 0 | 0 | 115.8 | N890 | N890-N892 PolarHBondContact O-N 3.33Š| ||
| 893 | S | 29.3 | Very low | 32.2 | Very low | 91 Ų | 91 | 119.2 Ų | 119.2 | 64% | 0.636 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -139.7 | 110.2 | 168.2 | 62.1 | 0 | 0 | 0 | 0 | 113.9 | T895 | S893-T895 PolarHBondContact O-N 2.61Š|
| 894 | T | 28.4 | Very low | 32.6 | Very low | 145 Ų | 145 | 119.4 Ų | 119.4 | 89% | 0.89 | 67% | 0.666 | S | S | * | * | trans | 22.7 | 87.9 | 158.8 | 52.1 | 0 | 0 | 0 | 0 | 117.4 | A896 | T894-A896 PolarHBondContact O-N 3.46Š| ||
| 895 | T | 28.2 | Very low | 33.4 | Very low | 131 Ų | 131 | 115.7 Ų | 115.7 | 80% | 0.804 | 65% | 0.65 | S | S | * | * | trans | -82.6 | 10.9 | -178.6 | 33.9 | 0 | 0 | 0 | 0 | 116.1 | S893 | S893-T895 PolarHBondContact O-N 2.61Š| ||
| 896 | A | 30 | Very low | 34.4 | Very low | 93 Ų | 93 | 114 Ų | 114 | 77% | 0.769 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -91 | 4.4 | -166.7 | 0 | 0 | 0 | 0 | 0 | 117.4 | T894 | T894-A896 PolarHBondContact O-N 3.46Š|
| 897 | L | 28.8 | Very low | 35.5 | Very low | 153 Ų | 153 | 112.6 Ų | 112.6 | 80% | 0.801 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -124.5 | 7.6 | -169.1 | -95.4 | 157.1 | 0 | 0 | 0 | 117.3 | ||
| 898 | L | 26.4 | Very low | 36.8 | Very low | 137 Ų | 137 | 104.8 Ų | 104.8 | 72% | 0.717 | 61% | 0.608 | S | S | * | * | trans | -110.8 | 14.5 | -174.5 | -73.9 | 169.7 | 0 | 0 | 0 | 115.8 | F884 V900 | F884-L898 HydrophobicContact CE1-CB 4.42Å; F884-L898 VanDerWaalsContact CE1-O 3.3Å; F884-L898 WeakPolarHBondContact CE1-O 3.33Å; F884-L898 WeakPolarHBondContact CZ-O 3.27Å; L898-V900 VanDerWaalsContact C-N 3.25Å; L898-V900 PolarHBondContact O-N 3.19Å | ||
| 899 | S | 29.4 | Very low | 38.4 | Very low | 105 Ų | 105 | 95.4 Ų | 95.4 | 73% | 0.734 | 58% | 0.576 | S | S | * | * | trans | -84.9 | 21.8 | 175.7 | 61.3 | 0 | 0 | 0 | 0 | 114.6 | P901 | S899-P901 WeakPolarHBondContact O-CD 3.45Š| ||
| 900 | V | 33.5 | Very low | 40.5 | Very low | 75 Ų | 75 | 88.8 Ų | 88.8 | 46% | 0.455 | 54% | 0.541 | S | S | . | . | trans | -83.4 | 107 | -178.8 | -177.2 | 0 | 0 | 0 | 0 | 109.2 | S46 L898 | S46-V900 VanDerWaalsContact O-CG1 3.32Å; S46-V900 WeakPolarHBondContact O-CG1 3.3Å; L898-V900 VanDerWaalsContact C-N 3.25Å; L898-V900 PolarHBondContact O-N 3.19Å | ||
| 901 | P | 38.8 | Very low | 42.6 | Very low | 73 Ų | 73 | 81.4 Ų | 81.4 | 47% | 0.474 | 50% | 0.502 | S | S | . | . | P | Polyproline II helix | trans | -61.1 | 153.2 | 174.9 | 26.4 | -33.7 | 0 | 0 | 0 | 110.3 | S899 A903 | S899-P901 WeakPolarHBondContact O-CD 3.45Å; P901-A903 PolarHBondContact O-N 2.72Å; P901-A903 VanDerWaalsContact O-N 3.11Å |
| 902 | P | 43.6 | Very low | 44.6 | Very low | 53 Ų | 53 | 75.1 Ų | 75.1 | 34% | 0.344 | 46% | 0.463 | S | S | . | . | S | Bend | trans | -48.9 | 124.3 | 177 | 19.5 | -31.2 | 0 | 0 | 0 | 109.2 | N904 W969 | P902-N904 PolarHBondContact O-N 2.76Å; P902-W969 HydrophobicContact CG-CH2 4.45Å |
| 903 | A | 42.7 | Very low | 46.5 | Very low | 15 Ų | 15 | 68.3 Ų | 68.3 | 12% | 0.124 | 43% | 0.427 | C | S | . | . | P | Polyproline II helix | trans | -53.2 | 126.1 | -168.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | Q48 P901 Q905 | Q48-A903 HydrophobicContact CB-CB 3.9Å; Q48-A903 HydrophobicContact CG-CB 4.39Å; P901-A903 PolarHBondContact O-N 2.72Å; P901-A903 VanDerWaalsContact O-N 3.11Å; A903-Q905 PolarHBondContact O-N 3.15Å |
| 904 | N | 46.9 | Very low | 48.4 | Very low | 100 Ų | 100 | 64.1 Ų | 64.1 | 54% | 0.535 | 40% | 0.397 | S | S | . | . | trans | -39.6 | 109.5 | 178.7 | -78.3 | -23.7 | 0 | 0 | 0 | 110.6 | V47 P902 T906 | V47-N904 HydrophobicContact CG1-CB 3.92Å; V47-N904 WeakPolarHBondContact CG1-ND2 3.18Å; P902-N904 PolarHBondContact O-N 2.76Å; N904-T906 PolarHBondContact O-N 3.08Å | ||
| 905 | Q | 50.9 | Low | 50.4 | Low | 24 Ų | 24 | 57.4 Ų | 57.4 | 11% | 0.112 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -57.1 | 123.5 | -174.3 | -72.5 | -176.2 | -1.7 | 0 | 0 | 110.5 | A903 P907 Q914 L970 C974 H976 | A903-Q905 PolarHBondContact O-N 3.15Å; Q905-P907 WeakPolarHBondContact O-CD 2.95Å; Q905-Q914 VanDerWaalsContact CD-OE1 3.31Å; Q905-Q914 VanDerWaalsContact OE1-NE2 3.17Å; Q905-L970 PolarHBondContact NE2-O 2.68Å; Q905-C974 VanDerWaalsContact CD-CB 3.47Å; Q905-C974 HydrophobicContact CG-CB 4.48Å; Q905-C974 PolarHBondContact NE2-SG 3.4Å; Q905-H976 PolarHBondContact OE1-CD2 3.03Å; Q905-H976 PolarHBondContact OE1-NE2 3.11Å |
| 906 | T | 51.4 | Low | 52.3 | Low | 62 Ų | 62 | 52.5 Ų | 52.5 | 38% | 0.38 | 32% | 0.323 | S | S | . | . | P | Polyproline II helix | trans | -82.1 | 123.5 | 177.8 | 51.2 | 0 | 0 | 0 | 0 | 110.2 | N904 L909 | N904-T906 PolarHBondContact O-N 3.08Å; T906-L909 WeakPolarHBondContact OG1-CD1 3.35Å; T906-L909 VanDerWaalsContact OG1-CG 3.31Å; T906-L909 WeakPolarHBondContact OG1-CG 3.12Å |
| 907 | P | 53.5 | Low | 53.9 | Low | 81 Ų | 81 | 51.9 Ų | 51.9 | 53% | 0.526 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.4 | 143.1 | 174.1 | -10.6 | 3 | 0 | 0 | 0 | 113.4 | P860 Q905 | P860-P907 HydrophobicContact CB-CB 3.83Å; P860-P907 HydrophobicContact CB-CG 4.17Å; Q905-P907 WeakPolarHBondContact O-CD 2.95Å |
| 908 | G | 58.4 | Low | 55.4 | Low | 31 Ų | 31 | 45.4 Ų | 45.4 | 32% | 0.32 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.9 | -7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | R857 V858 | R857-G908 WeakPolarHBondContact CD-O 3.31Å; R857-G908 PolarHBondContact NH1-O 3.06Å; R857-G908 VanDerWaalsContact NH1-O 3.09Å; V858-G908 PolarHBondContact O-N 3.44Å |
| 909 | L | 65.4 | Low | 56.9 | Low | 46 Ų | 46 | 40.2 Ų | 40.2 | 24% | 0.241 | 24% | 0.243 | C | C | . | . | trans | -74.1 | 153.6 | 167.2 | -71.8 | -169 | 0 | 0 | 0 | 111.2 | R857 V858 T906 D913 Q914 L917 | R857-L909 WeakPolarHBondContact CA-O 3.18Å; V858-L909 PolarHBondContact N-O 3.26Å; T906-L909 WeakPolarHBondContact OG1-CD1 3.35Å; T906-L909 VanDerWaalsContact OG1-CG 3.31Å; T906-L909 WeakPolarHBondContact OG1-CG 3.12Å; L909-D913 HydrophobicContact CB-CB 3.9Å; L909-D913 HydrophobicContact CD1-CB 4.14Å; L909-D913 HydrophobicContact CD2-CB 4.13Å; L909-D913 HydrophobicContact CG-CB 4.29Å; L909-Q914 HydrophobicContact CB-CG 4.33Å; L909-L917 HydrophobicContact CD1-CD1 3.55Å | ||
| 910 | T | 71.8 | Confident | 58.1 | Low | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.006 | 23% | 0.23 | C | C | . | . | B | Isolated β-bridge | trans | -78 | 165 | 172.2 | 71.2 | 0 | 0 | 0 | 0 | 112.3 | R764 T854 V856 R857 F912 D913 Q914 | R764-T910 WeakPolarHBondContact CD-OG1 3.31Å; T854-T910 WeakPolarHBondContact O-CG2 3.28Å; V856-T910 VanDerWaalsContact O-CA 3.23Å; V856-T910 WeakPolarHBondContact O-CA 3.13Å; V856-T910 WeakPolarHBondContact O-CB 3.49Å; R857-T910 HydrophobicContact CG-CG2 3.78Å; T910-F912 PolarHBondContact O-N 3.11Å; T910-F912 PolarHBondContact OG1-N 2.95Å; T910-D913 PolarHBondContact N-OD2 2.85Å; T910-D913 PolarHBondContact O-N 2.85Å; T910-D913 VanDerWaalsContact O-N 3.09Å; T910-D913 PolarHBondContact OG1-N 3.47Å; T910-D913 VanDerWaalsContact OG1-N 3.17Å; T910-D913 PolarHBondContact OG1-OD2 3.24Å; T910-Q914 WeakPolarHBondContact O-CG 3.28Å; T910-Q914 PolarHBondContact O-N 3.34Å |
| 911 | I | 73.2 | Confident | 58.7 | Low | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -56.5 | -40.5 | 174.4 | -57.3 | 174 | 0 | 0 | 0 | 110 | L853 V856 V858 Q914 I915 V967 L971 E979 L983 | L853-I911 HydrophobicContact CD2-CB 4.32Å; L853-I911 HydrophobicContact CD2-CD1 4.36Å; L853-I911 HydrophobicContact CD2-CG2 3.78Å; V856-I911 HydrophobicContact CB-CD1 4Å; V856-I911 HydrophobicContact CB-CG1 4.47Å; V856-I911 HydrophobicContact CG1-CD1 3.73Å; V856-I911 HydrophobicContact CG1-CG1 4.25Å; V856-I911 PolarHBondContact O-N 3.21Å; V858-I911 HydrophobicContact CG2-CG1 3.73Å; I911-Q914 PolarHBondContact O-N 3.25Å; I911-I915 HydrophobicContact CG2-CD1 3.89Å; I911-I915 HydrophobicContact CG2-CG1 4.4Å; I911-I915 WeakPolarHBondContact O-CB 3.49Å; I911-I915 VanDerWaalsContact O-CG1 3.23Å; I911-I915 WeakPolarHBondContact O-CG1 3.41Å; I911-I915 PolarHBondContact O-N 3.36Å; I911-V967 HydrophobicContact CG2-CG1 3.91Å; I911-L971 HydrophobicContact CD1-CD1 4.28Å; I911-L971 HydrophobicContact CG1-CD2 4.36Å; I911-E979 HydrophobicContact CD1-CB 4.35Å; I911-L983 HydrophobicContact CD1-CD1 3.99Å; I911-L983 HydrophobicContact CD1-CG 4.47Å |
| 912 | F | 74.3 | Confident | 59.1 | Low | 1 Ų | 1 | 35.8 Ų | 35.8 | 0% | 0.004 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59.4 | -46.2 | 173.4 | -178 | -86.3 | 0 | 0 | 0 | 113.1 | I763 R764 L767 L853 T854 T910 Q914 I915 W916 F950 | I763-F912 HydrophobicContact CG2-CE1 4.39Å; I763-F912 HydrophobicContact CG2-CZ 3.99Å; R764-F912 HydrophobicContact CB-CD1 3.58Å; R764-F912 HydrophobicContact CB-CE1 3.81Å; R764-F912 HydrophobicContact CB-CG 4.41Å; R764-F912 HydrophobicContact CG-CB 4.26Å; R764-F912 HydrophobicContact CG-CD1 3.74Å; R764-F912 HydrophobicContact CG-CE1 4.43Å; R764-F912 HydrophobicContact CG-CG 4.15Å; L767-F912 HydrophobicContact CD2-CD2 3.89Å; L767-F912 HydrophobicContact CD2-CE2 3.56Å; L767-F912 HydrophobicContact CD2-CZ 4.44Å; L853-F912 WeakPolarHBondContact O-CB 3.41Å; L853-F912 PolarHBondContact O-N 3.38Å; T854-F912 HydrophobicContact CG2-CB 4.37Å; T854-F912 HydrophobicContact CG2-CD2 4.26Å; T854-F912 HydrophobicContact CG2-CG 4.42Å; T910-F912 PolarHBondContact O-N 3.11Å; T910-F912 PolarHBondContact OG1-N 2.95Å; F912-Q914 VanDerWaalsContact C-N 3.26Å; F912-Q914 PolarHBondContact O-N 3.11Å; F912-I915 PolarHBondContact O-N 3.03Å; F912-W916 HydrophobicContact CE1-CE3 4.14Å; F912-W916 HydrophobicContact CZ-CE3 4Å; F912-W916 HydrophobicContact CZ-CZ3 4.48Å; F912-W916 WeakPolarHBondContact O-CB 3.36Å; F912-W916 PolarHBondContact O-N 3.26Å; F912-F950 HydrophobicContact CD2-CD1 4.11Å; F912-F950 HydrophobicContact CD2-CE1 4.16Å; F912-F950 HydrophobicContact CE2-CB 4.48Å; F912-F950 AromaticContact CE2-CD1 3.43Å; F912-F950 HydrophobicContact CE2-CD1 3.43Å; F912-F950 VanDerWaalsContact CE2-CD1 3.43Å; F912-F950 HydrophobicContact CE2-CD2 4.32Å; F912-F950 AromaticContact CE2-CE1 3.55Å; F912-F950 HydrophobicContact CE2-CE1 3.55Å; F912-F950 HydrophobicContact CE2-CE2 4.46Å; F912-F950 AromaticContact CE2-CG 3.82Å; F912-F950 HydrophobicContact CE2-CG 3.82Å; F912-F950 HydrophobicContact CE2-CZ 4.08Å; F912-F950 HydrophobicContact CZ-CD1 4.21Å; F912-F950 HydrophobicContact CZ-CD2 4.47Å; F912-F950 HydrophobicContact CZ-CE1 4.03Å; F912-F950 HydrophobicContact CZ-CE2 4.34Å; F912-F950 HydrophobicContact CZ-CG 4.41Å; F912-F950 HydrophobicContact CZ-CZ 4.09Å |
| 913 | D | 72.3 | Confident | 59.3 | Low | 17 Ų | 17 | 38.5 Ų | 38.5 | 9% | 0.091 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.4 | -37.6 | 179.5 | -66.3 | -34.5 | 0 | 0 | 0 | 110.8 | R764 L909 T910 W916 L917 | R764-D913 VanDerWaalsContact CD-OD1 3.25Å; R764-D913 WeakPolarHBondContact CD-OD1 3.3Å; R764-D913 IonicContact CZ-OD2 2.67Å; R764-D913 IonicContact NE-OD1 3.57Å; R764-D913 PolarHBondContact NE-OD1 3.39Å; R764-D913 IonicContact NE-OD2 2.8Å; R764-D913 PolarHBondContact NE-OD2 3.38Å; R764-D913 VanDerWaalsContact NE-OD2 3.17Å; L909-D913 HydrophobicContact CB-CB 3.9Å; L909-D913 HydrophobicContact CD1-CB 4.14Å; L909-D913 HydrophobicContact CD2-CB 4.13Å; L909-D913 HydrophobicContact CG-CB 4.29Å; T910-D913 PolarHBondContact N-OD2 2.85Å; T910-D913 PolarHBondContact O-N 2.85Å; T910-D913 VanDerWaalsContact O-N 3.09Å; T910-D913 PolarHBondContact OG1-N 3.47Å; T910-D913 VanDerWaalsContact OG1-N 3.17Å; T910-D913 PolarHBondContact OG1-OD2 3.24Å; D913-W916 PolarHBondContact O-N 3.16Å; D913-L917 WeakPolarHBondContact O-CG 3.28Å; D913-L917 PolarHBondContact O-N 2.9Å |
| 914 | Q | 68.7 | Low | 59 | Low | 3 Ų | 3 | 44.4 Ų | 44.4 | 1% | 0.014 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -68.1 | -40.7 | 175.1 | -67.4 | -171.6 | -13.2 | 0 | 0 | 112.8 | V858 Q905 L909 T910 I911 F912 W916 L917 N918 L970 | V858-Q914 VanDerWaalsContact CB-NE2 3.26Å; V858-Q914 VanDerWaalsContact CG1-NE2 3.29Å; V858-Q914 HydrophobicContact CG2-CG 4.46Å; Q905-Q914 VanDerWaalsContact CD-OE1 3.31Å; Q905-Q914 VanDerWaalsContact OE1-NE2 3.17Å; L909-Q914 HydrophobicContact CB-CG 4.33Å; T910-Q914 WeakPolarHBondContact O-CG 3.28Å; T910-Q914 PolarHBondContact O-N 3.34Å; I911-Q914 PolarHBondContact O-N 3.25Å; F912-Q914 VanDerWaalsContact C-N 3.26Å; F912-Q914 PolarHBondContact O-N 3.11Å; Q914-W916 VanDerWaalsContact C-N 3.3Å; Q914-L917 PolarHBondContact O-N 3.29Å; Q914-N918 PolarHBondContact O-N 2.75Å; Q914-N918 PolarHBondContact O-ND2 3.5Å; Q914-L970 HydrophobicContact CB-CD2 4.06Å |
| 915 | I | 69.3 | Low | 58.5 | Low | 5 Ų | 5 | 41.5 Ų | 41.5 | 3% | 0.026 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61 | -43.4 | 174 | -71.6 | 165.9 | 0 | 0 | 0 | 109.9 | I911 F912 N918 W919 L922 F950 L954 V967 | I911-I915 HydrophobicContact CG2-CD1 3.89Å; I911-I915 HydrophobicContact CG2-CG1 4.4Å; I911-I915 WeakPolarHBondContact O-CB 3.49Å; I911-I915 VanDerWaalsContact O-CG1 3.23Å; I911-I915 WeakPolarHBondContact O-CG1 3.41Å; I911-I915 PolarHBondContact O-N 3.36Å; F912-I915 PolarHBondContact O-N 3.03Å; I915-N918 CarbonylContact O-C 3.38Å; I915-N918 PolarHBondContact O-N 2.7Å; I915-N918 VanDerWaalsContact O-N 3.13Å; I915-W919 WeakPolarHBondContact O-CA 3.35Å; I915-W919 PolarHBondContact O-N 2.66Å; I915-L922 HydrophobicContact CG2-CD1 3.25Å; I915-F950 HydrophobicContact CG2-CE1 3.93Å; I915-L954 HydrophobicContact CD1-CD1 4.32Å; I915-V967 HydrophobicContact CD1-CG1 4.15Å; I915-V967 HydrophobicContact CD1-CG2 3.7Å; I915-V967 HydrophobicContact CG1-CG2 4.44Å |
| 916 | W | 69 | Low | 58.1 | Low | 28 Ų | 28 | 43.3 Ų | 43.3 | 11% | 0.106 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.4 | -43.9 | 179.5 | -173.2 | -83.9 | 0 | 0 | 0 | 112.5 | L755 V760 I763 F912 D913 Q914 N918 W919 F942 V946 F950 | L755-W916 HydrophobicContact CD1-CZ2 4Å; V760-W916 HydrophobicContact CG1-CB 4.09Å; V760-W916 HydrophobicContact CG1-CD2 3.99Å; V760-W916 HydrophobicContact CG1-CG 3.61Å; V760-W916 HydrophobicContact CG2-CD2 4.42Å; V760-W916 HydrophobicContact CG2-CG 4.33Å; V760-W916 HydrophobicContact CG2-CZ2 4.47Å; V760-W916 VanDerWaalsContact CG2-NE1 3.32Å; I763-W916 HydrophobicContact CD1-CH2 3.93Å; I763-W916 HydrophobicContact CD1-CZ2 4.45Å; I763-W916 HydrophobicContact CD1-CZ3 4.38Å; I763-W916 HydrophobicContact CG2-CZ3 4.42Å; F912-W916 HydrophobicContact CE1-CE3 4.14Å; F912-W916 HydrophobicContact CZ-CE3 4Å; F912-W916 HydrophobicContact CZ-CZ3 4.48Å; F912-W916 WeakPolarHBondContact O-CB 3.36Å; F912-W916 PolarHBondContact O-N 3.26Å; D913-W916 PolarHBondContact O-N 3.16Å; Q914-W916 VanDerWaalsContact C-N 3.3Å; W916-N918 PolarHBondContact O-N 3.18Å; W916-W919 WeakPolarHBondContact O-CB 3.4Å; W916-W919 PolarHBondContact O-N 3.15Å; W916-W919 VanDerWaalsContact O-N 3.08Å; W916-F942 HydrophobicContact CH2-CZ 4.27Å; W916-V946 HydrophobicContact CH2-CG1 3.84Å; W916-V946 HydrophobicContact CH2-CG2 4.33Å; W916-V946 HydrophobicContact CZ3-CG1 3.5Å; W916-F950 AromaticContact CE3-CE2 3.58Å; W916-F950 HydrophobicContact CE3-CE2 3.58Å; W916-F950 AromaticContact CE3-CZ 3.43Å; W916-F950 HydrophobicContact CE3-CZ 3.43Å; W916-F950 VanDerWaalsContact CE3-CZ 3.43Å; W916-F950 HydrophobicContact CZ3-CD2 4.37Å; W916-F950 AromaticContact CZ3-CE2 3.37Å; W916-F950 HydrophobicContact CZ3-CE2 3.37Å; W916-F950 AromaticContact CZ3-CZ 3.77Å; W916-F950 HydrophobicContact CZ3-CZ 3.77Å |
| 917 | L | 63.1 | Low | 57.2 | Low | 79 Ų | 79 | 45.7 Ų | 45.7 | 41% | 0.414 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -62.6 | -26.8 | 176.4 | -71.2 | 170.5 | 0 | 0 | 0 | 112.4 | L909 D913 Q914 | L909-L917 HydrophobicContact CD1-CD1 3.55Å; D913-L917 WeakPolarHBondContact O-CG 3.28Å; D913-L917 PolarHBondContact O-N 2.9Å; Q914-L917 PolarHBondContact O-N 3.29Å |
| 918 | N | 60.1 | Low | 56.3 | Low | 18 Ų | 18 | 50.2 Ų | 50.2 | 10% | 0.096 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.7 | 22.5 | 176.6 | -61.6 | -69.4 | 0 | 0 | 0 | 112.2 | Q914 I915 W916 D920 W921 L922 L970 | Q914-N918 PolarHBondContact O-N 2.75Å; Q914-N918 PolarHBondContact O-ND2 3.5Å; I915-N918 CarbonylContact O-C 3.38Å; I915-N918 PolarHBondContact O-N 2.7Å; I915-N918 VanDerWaalsContact O-N 3.13Å; W916-N918 PolarHBondContact O-N 3.18Å; N918-D920 VanDerWaalsContact C-N 3.34Å; N918-D920 PolarHBondContact O-N 3.3Å; N918-W921 VanDerWaalsContact O-CB 3.28Å; N918-W921 WeakPolarHBondContact O-CB 3.28Å; N918-W921 PolarHBondContact O-N 3.26Å; N918-L922 PolarHBondContact O-N 3.39Å; N918-L970 HydrophobicContact CB-CD1 4.06Å |
| 919 | W | 59.6 | Low | 55 | Low | 28 Ų | 28 | 54.6 Ų | 54.6 | 11% | 0.106 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.4 | -36.6 | -172.2 | -179.2 | -111.9 | 0 | 0 | 0 | 113.9 | I915 W916 W921 L922 K923 F950 L953 | I915-W919 WeakPolarHBondContact O-CA 3.35Å; I915-W919 PolarHBondContact O-N 2.66Å; W916-W919 WeakPolarHBondContact O-CB 3.4Å; W916-W919 PolarHBondContact O-N 3.15Å; W916-W919 VanDerWaalsContact O-N 3.08Å; W919-W921 PolarHBondContact O-N 3.44Å; W919-W921 VanDerWaalsContact O-N 3.16Å; W919-L922 HydrophobicContact CE3-CB 4.33Å; W919-L922 HydrophobicContact CE3-CD1 3.86Å; W919-L922 HydrophobicContact CZ3-CD1 3.96Å; W919-L922 PolarHBondContact O-N 3.19Å; W919-L922 VanDerWaalsContact O-N 3.11Å; W919-K923 PolarHBondContact O-N 3.07Å; W919-F950 HydrophobicContact CD2-CE2 4.25Å; W919-F950 AromaticContact CD2-CZ 3.92Å; W919-F950 HydrophobicContact CD2-CZ 3.92Å; W919-F950 AromaticContact CE3-CE1 3.73Å; W919-F950 HydrophobicContact CE3-CE1 3.73Å; W919-F950 AromaticContact CE3-CE2 3.86Å; W919-F950 HydrophobicContact CE3-CE2 3.86Å; W919-F950 AromaticContact CE3-CZ 3.22Å; W919-F950 HydrophobicContact CE3-CZ 3.22Å; W919-F950 HydrophobicContact CH2-CD1 4.38Å; W919-F950 AromaticContact CH2-CD2 3.84Å; W919-F950 HydrophobicContact CH2-CD2 3.84Å; W919-F950 HydrophobicContact CH2-CE1 4.11Å; W919-F950 AromaticContact CH2-CE2 3.48Å; W919-F950 HydrophobicContact CH2-CE2 3.48Å; W919-F950 VanDerWaalsContact CH2-CE2 3.48Å; W919-F950 HydrophobicContact CH2-CG 4.29Å; W919-F950 AromaticContact CH2-CZ 3.66Å; W919-F950 HydrophobicContact CH2-CZ 3.66Å; W919-F950 HydrophobicContact CZ2-CD2 4.48Å; W919-F950 AromaticContact CZ2-CE2 3.91Å; W919-F950 HydrophobicContact CZ2-CE2 3.91Å; W919-F950 HydrophobicContact CZ2-CZ 4.29Å; W919-F950 AromaticContact CZ3-CD1 3.9Å; W919-F950 HydrophobicContact CZ3-CD1 3.9Å; W919-F950 HydrophobicContact CZ3-CD2 4.06Å; W919-F950 AromaticContact CZ3-CE1 3.33Å; W919-F950 HydrophobicContact CZ3-CE1 3.33Å; W919-F950 AromaticContact CZ3-CE2 3.46Å; W919-F950 HydrophobicContact CZ3-CE2 3.46Å; W919-F950 VanDerWaalsContact CZ3-CE2 3.46Å; W919-F950 HydrophobicContact CZ3-CG 4.26Å; W919-F950 AromaticContact CZ3-CZ 3.08Å; W919-F950 HydrophobicContact CZ3-CZ 3.08Å; W919-L953 HydrophobicContact CH2-CD1 3.73Å; W919-L953 HydrophobicContact CZ3-CD1 4.33Å |
| 920 | D | 52.8 | Low | 53.4 | Low | 84 Ų | 84 | 60.6 Ų | 60.6 | 45% | 0.449 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -56.8 | -31 | 176 | -73.2 | -16.9 | 0 | 0 | 0 | 111.2 | N918 | N918-D920 VanDerWaalsContact C-N 3.34Å; N918-D920 PolarHBondContact O-N 3.3Å |
| 921 | W | 46.8 | Very low | 51.5 | Low | 56 Ų | 56 | 66 Ų | 66 | 21% | 0.212 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -74.1 | -40.3 | 176.9 | 171.9 | 86.1 | 0 | 0 | 0 | 112.8 | L883 N918 W919 K923 L924 W969 | L883-W921 HydrophobicContact CD1-CZ2 3.98Å; N918-W921 VanDerWaalsContact O-CB 3.28Å; N918-W921 WeakPolarHBondContact O-CB 3.28Å; N918-W921 PolarHBondContact O-N 3.26Å; W919-W921 PolarHBondContact O-N 3.44Å; W919-W921 VanDerWaalsContact O-N 3.16Å; W921-K923 VanDerWaalsContact C-N 3.34Å; W921-K923 PolarHBondContact O-N 3.49Å; W921-L924 PolarHBondContact O-N 2.96Å; W921-W969 AromaticContact CE2-CZ3 3.92Å; W921-W969 HydrophobicContact CH2-CD2 4.15Å; W921-W969 AromaticContact CH2-CE3 3.44Å; W921-W969 HydrophobicContact CH2-CE3 3.44Å; W921-W969 VanDerWaalsContact CH2-CE3 3.44Å; W921-W969 HydrophobicContact CH2-CZ3 4Å; W921-W969 AromaticContact CZ2-CD2 3.91Å; W921-W969 HydrophobicContact CZ2-CD2 3.91Å; W921-W969 AromaticContact CZ2-CE3 3.33Å; W921-W969 HydrophobicContact CZ2-CE3 3.33Å; W921-W969 HydrophobicContact CZ2-CH2 4.33Å; W921-W969 AromaticContact CZ2-CZ3 3.57Å; W921-W969 HydrophobicContact CZ2-CZ3 3.57Å; W921-W969 HydrophobicContact CZ3-CE3 4.34Å |
| 922 | L | 46.6 | Very low | 49.7 | Very low | 19 Ų | 19 | 71 Ų | 71 | 10% | 0.099 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -63.8 | -36.6 | 178.2 | -85.4 | 175.5 | 0 | 0 | 0 | 113.2 | I915 N918 W919 L924 C925 S926 | I915-L922 HydrophobicContact CG2-CD1 3.25Å; N918-L922 PolarHBondContact O-N 3.39Å; W919-L922 HydrophobicContact CE3-CB 4.33Å; W919-L922 HydrophobicContact CE3-CD1 3.86Å; W919-L922 HydrophobicContact CZ3-CD1 3.96Å; W919-L922 PolarHBondContact O-N 3.19Å; W919-L922 VanDerWaalsContact O-N 3.11Å; L922-L924 VanDerWaalsContact C-N 3.31Å; L922-L924 PolarHBondContact O-N 2.94Å; L922-C925 PolarHBondContact O-N 2.78Å; L922-S926 PolarHBondContact O-N 3.2Å |
| 923 | K | 48.9 | Very low | 48 | Very low | 110 Ų | 110 | 73.1 Ų | 73.1 | 48% | 0.478 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -64.3 | -33 | 177.2 | -80.9 | -174.2 | 168.2 | -177.3 | 0 | 113.2 | W919 W921 C925 S926 | W919-K923 PolarHBondContact O-N 3.07Å; W921-K923 VanDerWaalsContact C-N 3.34Å; W921-K923 PolarHBondContact O-N 3.49Å; K923-C925 VanDerWaalsContact C-N 3.31Å; K923-S926 PolarHBondContact O-N 2.8Å; K923-S926 PolarHBondContact O-OG 3.33Å |
| 924 | L | 36.9 | Very low | 46.6 | Very low | 139 Ų | 139 | 75 Ų | 75 | 73% | 0.728 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -70 | -29.3 | 178.3 | -81 | 157.2 | 0 | 0 | 0 | 112.3 | W921 L922 | W921-L924 PolarHBondContact O-N 2.96Å; L922-L924 VanDerWaalsContact C-N 3.31Å; L922-L924 PolarHBondContact O-N 2.94Å |
| 925 | C | 35.7 | Very low | 45.4 | Very low | 40 Ų | 40 | 79.9 Ų | 79.9 | 27% | 0.27 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -77 | -23 | 178.1 | -63.2 | 0 | 0 | 0 | 0 | 113.2 | L922 K923 S927 | L922-C925 PolarHBondContact O-N 2.78Å; K923-C925 VanDerWaalsContact C-N 3.31Å; C925-S927 VanDerWaalsContact C-N 3.26Å; C925-S927 PolarHBondContact O-N 2.89Å |
| 926 | S | 41.6 | Very low | 44.2 | Very low | 61 Ų | 61 | 82.2 Ų | 82.2 | 43% | 0.427 | 46% | 0.457 | S | S | . | . | S | Bend | trans | -81.8 | 71.9 | 171.9 | 66.9 | 0 | 0 | 0 | 0 | 110.1 | L922 K923 K928 | L922-S926 PolarHBondContact O-N 3.2Å; K923-S926 PolarHBondContact O-N 2.8Å; K923-S926 PolarHBondContact O-OG 3.33Å; S926-K928 PolarHBondContact O-N 3.4Å |
| 927 | S | 33.9 | Very low | 43 | Very low | 112 Ų | 112 | 83.6 Ų | 83.6 | 78% | 0.783 | 47% | 0.471 | S | S | * | . | trans | -71.9 | 42.2 | -172.7 | 69.9 | 0 | 0 | 0 | 0 | 114.9 | C925 | C925-S927 VanDerWaalsContact C-N 3.26Å; C925-S927 PolarHBondContact O-N 2.89Å | ||
| 928 | K | 33.8 | Very low | 42.2 | Very low | 177 Ų | 177 | 80.9 Ų | 80.9 | 77% | 0.77 | 46% | 0.458 | S | S | * | . | trans | -126.5 | 111.1 | 172.9 | -75.4 | -171.6 | 176 | -176.5 | 0 | 110.6 | S926 | S926-K928 PolarHBondContact O-N 3.4Š| ||
| 929 | T | 31.9 | Very low | 41.8 | Very low | 122 Ų | 122 | 81.8 Ų | 81.8 | 75% | 0.748 | 46% | 0.461 | S | S | * | . | trans | 74.5 | 134.1 | 159.4 | 62.8 | 0 | 0 | 0 | 0 | 119 | I931 | T929-I931 VanDerWaalsContact C-N 3.32Å; T929-I931 PolarHBondContact O-N 2.81Å | ||
| 930 | D | 31.4 | Very low | 41.4 | Very low | 172 Ų | 172 | 85.4 Ų | 85.4 | 92% | 0.92 | 48% | 0.477 | S | S | * | . | trans | -60.7 | 85.4 | 170.5 | -68.8 | -47.3 | 0 | 0 | 0 | 110.7 | S932 | D930-S932 PolarHBondContact O-N 2.81Š| ||
| 931 | I | 31.9 | Very low | 41.5 | Very low | 115 Ų | 115 | 85.5 Ų | 85.5 | 59% | 0.59 | 48% | 0.475 | S | S | * | . | trans | -78.1 | 108.8 | 174.7 | -62.6 | 163.2 | 0 | 0 | 0 | 107.4 | T929 S933 | T929-I931 VanDerWaalsContact C-N 3.32Å; T929-I931 PolarHBondContact O-N 2.81Å; I931-S933 PolarHBondContact O-N 3.05Å; I931-S933 VanDerWaalsContact O-N 3.14Å | ||
| 932 | S | 35.2 | Very low | 42.1 | Very low | 105 Ų | 105 | 83.3 Ų | 83.3 | 73% | 0.734 | 47% | 0.467 | S | S | * | . | P | Polyproline II helix | trans | -49.3 | 120.4 | 164 | 55.3 | 0 | 0 | 0 | 0 | 108.8 | D930 P934 | D930-S932 PolarHBondContact O-N 2.81Å; S932-P934 WeakPolarHBondContact O-CD 3.37Å; S932-P934 VanDerWaalsContact O-N 3.13Å |
| 933 | S | 39.2 | Very low | 42.6 | Very low | 46 Ų | 46 | 83 Ų | 83 | 32% | 0.322 | 47% | 0.465 | S | S | . | . | P | Polyproline II helix | trans | -53.4 | 119.5 | -175.1 | 56.3 | 0 | 0 | 0 | 0 | 110.6 | I931 S935 | I931-S933 PolarHBondContact O-N 3.05Å; I931-S933 VanDerWaalsContact O-N 3.14Å; S933-S935 PolarHBondContact O-N 2.97Å; S933-S935 VanDerWaalsContact O-N 3.11Å |
| 934 | P | 43 | Very low | 43.2 | Very low | 55 Ų | 55 | 79.7 Ų | 79.7 | 36% | 0.357 | 45% | 0.453 | S | S | . | . | P | Polyproline II helix | trans | -59.4 | 120.3 | 177.1 | 20.5 | -30.7 | 0 | 0 | 0 | 109.5 | S932 F936 Y945 | S932-P934 WeakPolarHBondContact O-CD 3.37Å; S932-P934 VanDerWaalsContact O-N 3.13Å; P934-F936 HydrophobicContact CB-CE1 3.93Å; P934-F936 HydrophobicContact CB-CE2 4.31Å; P934-F936 HydrophobicContact CB-CZ 3.81Å; P934-F936 HydrophobicContact CG-CE1 3.97Å; P934-F936 HydrophobicContact CG-CE2 3.88Å; P934-F936 HydrophobicContact CG-CZ 3.37Å; P934-F936 WeakPolarHBondContact O-CD2 3.46Å; P934-F936 WeakPolarHBondContact O-CE2 3.38Å; P934-F936 PolarHBondContact O-N 2.83Å; P934-Y945 HydrophobicContact CG-CE1 4.43Å |
| 935 | S | 42 | Very low | 44.4 | Very low | 107 Ų | 107 | 75.9 Ų | 75.9 | 75% | 0.748 | 43% | 0.429 | S | S | * | . | trans | -73.4 | 104 | 168.6 | 54.5 | 0 | 0 | 0 | 0 | 107.8 | S933 | S933-S935 PolarHBondContact O-N 2.97Å; S933-S935 VanDerWaalsContact O-N 3.11Å | ||
| 936 | F | 44.5 | Very low | 45.6 | Very low | 53 Ų | 53 | 74.4 Ų | 74.4 | 23% | 0.232 | 42% | 0.419 | C | S | . | . | trans | -79.7 | 125 | 176.3 | -56.6 | -72.5 | 0 | 0 | 0 | 109.5 | P934 S938 E941 F942 Y945 | P934-F936 HydrophobicContact CB-CE1 3.93Å; P934-F936 HydrophobicContact CB-CE2 4.31Å; P934-F936 HydrophobicContact CB-CZ 3.81Å; P934-F936 HydrophobicContact CG-CE1 3.97Å; P934-F936 HydrophobicContact CG-CE2 3.88Å; P934-F936 HydrophobicContact CG-CZ 3.37Å; P934-F936 WeakPolarHBondContact O-CD2 3.46Å; P934-F936 WeakPolarHBondContact O-CE2 3.38Å; P934-F936 PolarHBondContact O-N 2.83Å; F936-S938 VanDerWaalsContact C-N 3.34Å; F936-E941 HydrophobicContact CD1-CB 4.15Å; F936-F942 HydrophobicContact CB-CB 4.23Å; F936-F942 HydrophobicContact CD1-CB 4.32Å; F936-F942 HydrophobicContact CD2-CB 4.3Å; F936-F942 AromaticContact CD2-CD2 3.76Å; F936-F942 HydrophobicContact CD2-CD2 3.76Å; F936-F942 AromaticContact CE2-CD2 3.75Å; F936-F942 HydrophobicContact CE2-CD2 3.75Å; F936-F942 HydrophobicContact CE2-CE2 4.42Å; F936-F942 HydrophobicContact CG-CB 4.02Å; F936-F942 HydrophobicContact CG-CD2 4.32Å; F936-F942 HydrophobicContact CZ-CD2 4.3Å; F936-Y945 AromaticContact CE1-CD1 3.86Å; F936-Y945 HydrophobicContact CE1-CD1 3.86Å; F936-Y945 HydrophobicContact CE1-CD2 4.34Å; F936-Y945 AromaticContact CE1-CG 3.63Å; F936-Y945 HydrophobicContact CE1-CG 3.63Å; F936-Y945 HydrophobicContact CE2-CD1 4.45Å; F936-Y945 AromaticContact CZ-CD1 3.37Å; F936-Y945 HydrophobicContact CZ-CD1 3.37Å; F936-Y945 HydrophobicContact CZ-CD2 4.45Å; F936-Y945 AromaticContact CZ-CE1 3.92Å; F936-Y945 HydrophobicContact CZ-CE1 3.92Å; F936-Y945 AromaticContact CZ-CG 3.66Å; F936-Y945 HydrophobicContact CZ-CG 3.66Å | ||
| 937 | S | 43.4 | Very low | 46.6 | Very low | 57 Ų | 57 | 71.9 Ų | 71.9 | 40% | 0.399 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -79.7 | -21.9 | 177.5 | 68.6 | 0 | 0 | 0 | 0 | 112.3 | E941 | S937-E941 WeakPolarHBondContact CB-OE2 3.29Å; S937-E941 PolarHBondContact N-OE2 2.83Å; S937-E941 PolarHBondContact OG-OE1 2.8Å; S937-E941 PolarHBondContact OG-OE2 3.36Å |
| 938 | S | 46.9 | Very low | 48.1 | Very low | 22 Ų | 22 | 67 Ų | 67 | 15% | 0.154 | 37% | 0.366 | C | S | . | . | S | Bend | trans | -144.2 | 154.5 | -177.2 | 66.7 | 0 | 0 | 0 | 0 | 112.7 | F936 F940 E941 F942 | F936-S938 VanDerWaalsContact C-N 3.34Å; S938-F940 PolarHBondContact O-N 3.21Å; S938-E941 PolarHBondContact O-N 2.78Å; S938-E941 WeakPolarHBondContact OG-CG 3.41Å; S938-E941 PolarHBondContact OG-N 2.84Å; S938-F942 PolarHBondContact O-N 2.85Å |
| 939 | W | 51.7 | Low | 49.6 | Very low | 38 Ų | 38 | 59.8 Ų | 59.8 | 14% | 0.144 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -56.7 | -30.3 | 170.8 | -178.6 | -121 | 0 | 0 | 0 | 112.2 | F751 L755 I763 F942 I943 | F751-W939 HydrophobicContact CE1-CE3 4.38Å; F751-W939 HydrophobicContact CE1-CZ3 4.11Å; F751-W939 HydrophobicContact CZ-CE3 4.01Å; F751-W939 HydrophobicContact CZ-CZ3 4.1Å; L755-W939 HydrophobicContact CD1-CH2 4.38Å; L755-W939 HydrophobicContact CD1-CZ3 4.31Å; L755-W939 HydrophobicContact CD2-CE3 4.33Å; L755-W939 HydrophobicContact CD2-CH2 3.4Å; L755-W939 HydrophobicContact CD2-CZ3 3.24Å; L755-W939 HydrophobicContact CG-CH2 4.49Å; L755-W939 HydrophobicContact CG-CZ3 4.41Å; I763-W939 HydrophobicContact CD1-CH2 4.06Å; I763-W939 HydrophobicContact CD1-CZ2 4.41Å; W939-F942 HydrophobicContact CE3-CB 4.45Å; W939-F942 AromaticContact CE3-CD1 3.61Å; W939-F942 HydrophobicContact CE3-CD1 3.61Å; W939-F942 HydrophobicContact CE3-CE1 4.26Å; W939-F942 HydrophobicContact CE3-CG 4.31Å; W939-F942 AromaticContact CH2-CD1 3.77Å; W939-F942 HydrophobicContact CH2-CD1 3.77Å; W939-F942 AromaticContact CH2-CE1 3.69Å; W939-F942 HydrophobicContact CH2-CE1 3.69Å; W939-F942 AromaticContact CZ3-CD1 3.15Å; W939-F942 HydrophobicContact CZ3-CD1 3.15Å; W939-F942 AromaticContact CZ3-CE1 3.35Å; W939-F942 HydrophobicContact CZ3-CE1 3.35Å; W939-F942 HydrophobicContact CZ3-CG 4.15Å; W939-F942 HydrophobicContact CZ3-CZ 4.46Å; W939-F942 PolarHBondContact O-N 2.82Å; W939-I943 HydrophobicContact CD2-CD1 4.14Å; W939-I943 HydrophobicContact CD2-CG1 4.26Å; W939-I943 HydrophobicContact CG-CD1 4.13Å; W939-I943 HydrophobicContact CZ2-CD1 4.01Å; W939-I943 HydrophobicContact CZ2-CG1 4Å; W939-I943 WeakPolarHBondContact O-CG1 3.38Å; W939-I943 PolarHBondContact O-N 3.09Å |
| 940 | F | 52.4 | Low | 51.3 | Low | 104 Ų | 104 | 54 Ų | 54 | 46% | 0.456 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -65.2 | -48.6 | 175.8 | 175.4 | -101.7 | 0 | 0 | 0 | 112.7 | H562 S938 F942 I943 N944 | H562-F940 HydrophobicContact CB-CE2 4.17Å; S938-F940 PolarHBondContact O-N 3.21Å; F940-F942 VanDerWaalsContact C-N 3.28Å; F940-F942 PolarHBondContact O-N 2.62Å; F940-I943 PolarHBondContact O-N 3.23Å; F940-N944 WeakPolarHBondContact CE1-ND2 3.41Å; F940-N944 WeakPolarHBondContact CE2-ND2 3.5Å; F940-N944 WeakPolarHBondContact CZ-ND2 3.32Å; F940-N944 PolarHBondContact O-N 3.06Å; F940-N944 PolarHBondContact O-ND2 3.36Å |
| 941 | E | 53.5 | Low | 53 | Low | 86 Ų | 86 | 46.2 Ų | 46.2 | 40% | 0.402 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -60.8 | -40.5 | 175.8 | -74.7 | 177.5 | 168.9 | 0 | 0 | 111.4 | F936 S937 S938 Y945 | F936-E941 HydrophobicContact CD1-CB 4.15Å; S937-E941 WeakPolarHBondContact CB-OE2 3.29Å; S937-E941 PolarHBondContact N-OE2 2.83Å; S937-E941 PolarHBondContact OG-OE1 2.8Å; S937-E941 PolarHBondContact OG-OE2 3.36Å; S938-E941 PolarHBondContact O-N 2.78Å; S938-E941 WeakPolarHBondContact OG-CG 3.41Å; S938-E941 PolarHBondContact OG-N 2.84Å; E941-Y945 WeakPolarHBondContact O-CB 3.18Å; E941-Y945 PolarHBondContact O-N 2.97Å |
| 942 | F | 59 | Low | 54.7 | Low | 9 Ų | 9 | 43.8 Ų | 43.8 | 4% | 0.039 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.9 | -50.9 | 175.5 | 175.5 | -97.8 | 0 | 0 | 0 | 112.3 | F751 L755 I763 W916 F936 S938 W939 F940 N944 Y945 V946 | F751-F942 HydrophobicContact CD1-CD2 4.48Å; F751-F942 HydrophobicContact CD1-CE2 4.29Å; F751-F942 HydrophobicContact CE1-CD1 4.28Å; F751-F942 AromaticContact CE1-CD2 3.98Å; F751-F942 HydrophobicContact CE1-CD2 3.98Å; F751-F942 HydrophobicContact CE1-CE1 4.36Å; F751-F942 HydrophobicContact CE1-CE2 4.07Å; F751-F942 HydrophobicContact CE1-CG 4.08Å; F751-F942 HydrophobicContact CE1-CZ 4.24Å; L755-F942 HydrophobicContact CD1-CE1 3.72Å; L755-F942 HydrophobicContact CD1-CZ 3.56Å; I763-F942 HydrophobicContact CD1-CE1 4.08Å; W916-F942 HydrophobicContact CH2-CZ 4.27Å; F936-F942 HydrophobicContact CB-CB 4.23Å; F936-F942 HydrophobicContact CD1-CB 4.32Å; F936-F942 HydrophobicContact CD2-CB 4.3Å; F936-F942 AromaticContact CD2-CD2 3.76Å; F936-F942 HydrophobicContact CD2-CD2 3.76Å; F936-F942 AromaticContact CE2-CD2 3.75Å; F936-F942 HydrophobicContact CE2-CD2 3.75Å; F936-F942 HydrophobicContact CE2-CE2 4.42Å; F936-F942 HydrophobicContact CG-CB 4.02Å; F936-F942 HydrophobicContact CG-CD2 4.32Å; F936-F942 HydrophobicContact CZ-CD2 4.3Å; S938-F942 PolarHBondContact O-N 2.85Å; W939-F942 HydrophobicContact CE3-CB 4.45Å; W939-F942 AromaticContact CE3-CD1 3.61Å; W939-F942 HydrophobicContact CE3-CD1 3.61Å; W939-F942 HydrophobicContact CE3-CE1 4.26Å; W939-F942 HydrophobicContact CE3-CG 4.31Å; W939-F942 AromaticContact CH2-CD1 3.77Å; W939-F942 HydrophobicContact CH2-CD1 3.77Å; W939-F942 AromaticContact CH2-CE1 3.69Å; W939-F942 HydrophobicContact CH2-CE1 3.69Å; W939-F942 AromaticContact CZ3-CD1 3.15Å; W939-F942 HydrophobicContact CZ3-CD1 3.15Å; W939-F942 AromaticContact CZ3-CE1 3.35Å; W939-F942 HydrophobicContact CZ3-CE1 3.35Å; W939-F942 HydrophobicContact CZ3-CG 4.15Å; W939-F942 HydrophobicContact CZ3-CZ 4.46Å; W939-F942 PolarHBondContact O-N 2.82Å; F940-F942 VanDerWaalsContact C-N 3.28Å; F940-F942 PolarHBondContact O-N 2.62Å; F942-N944 VanDerWaalsContact C-N 3.32Å; F942-N944 PolarHBondContact O-N 2.91Å; F942-Y945 PolarHBondContact O-N 2.84Å; F942-V946 HydrophobicContact CD1-CG2 4.2Å; F942-V946 HydrophobicContact CD2-CG2 4.08Å; F942-V946 HydrophobicContact CE1-CG2 3.8Å; F942-V946 HydrophobicContact CE2-CG2 3.66Å; F942-V946 HydrophobicContact CG-CG2 4.35Å; F942-V946 HydrophobicContact CZ-CG2 3.52Å; F942-V946 WeakPolarHBondContact O-CB 3.27Å; F942-V946 VanDerWaalsContact O-CG2 3.25Å; F942-V946 WeakPolarHBondContact O-CG2 3.49Å; F942-V946 PolarHBondContact O-N 3.34Å |
| 943 | I | 58.9 | Low | 56.2 | Low | 13 Ų | 13 | 40.7 Ų | 40.7 | 7% | 0.067 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -58.6 | -46.4 | 179.7 | -74 | 166.1 | 0 | 0 | 0 | 110.6 | F762 I763 W939 F940 V946 L947 | F762-I943 HydrophobicContact CD1-CD1 4.34Å; F762-I943 HydrophobicContact CE1-CD1 3.95Å; I763-I943 HydrophobicContact CG1-CG1 4.43Å; W939-I943 HydrophobicContact CD2-CD1 4.14Å; W939-I943 HydrophobicContact CD2-CG1 4.26Å; W939-I943 HydrophobicContact CG-CD1 4.13Å; W939-I943 HydrophobicContact CZ2-CD1 4.01Å; W939-I943 HydrophobicContact CZ2-CG1 4Å; W939-I943 WeakPolarHBondContact O-CG1 3.38Å; W939-I943 PolarHBondContact O-N 3.09Å; F940-I943 PolarHBondContact O-N 3.23Å; I943-V946 PolarHBondContact O-N 3.4Å; I943-L947 HydrophobicContact CG2-CD1 3.68Å; I943-L947 HydrophobicContact CG2-CG 4.16Å; I943-L947 WeakPolarHBondContact O-CB 3.36Å; I943-L947 VanDerWaalsContact O-CG 3.3Å; I943-L947 WeakPolarHBondContact O-CG 3.32Å; I943-L947 PolarHBondContact O-N 2.96Å |
| 944 | N | 59.7 | Low | 57.7 | Low | 41 Ų | 41 | 38.7 Ų | 38.7 | 22% | 0.219 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.2 | -55.2 | 179.1 | -71.7 | -29 | 0 | 0 | 0 | 109.8 | M693 F940 F942 V946 L947 S948 | M693-N944 HydrophobicContact CE-CB 3.8Å; M693-N944 WeakPolarHBondContact CE-O 3.25Å; F940-N944 WeakPolarHBondContact CE1-ND2 3.41Å; F940-N944 WeakPolarHBondContact CE2-ND2 3.5Å; F940-N944 WeakPolarHBondContact CZ-ND2 3.32Å; F940-N944 PolarHBondContact O-N 3.06Å; F940-N944 PolarHBondContact O-ND2 3.36Å; F942-N944 VanDerWaalsContact C-N 3.32Å; F942-N944 PolarHBondContact O-N 2.91Å; N944-V946 VanDerWaalsContact C-N 3.25Å; N944-V946 PolarHBondContact O-N 3.43Å; N944-L947 PolarHBondContact O-N 3.27Å; N944-L947 VanDerWaalsContact O-N 3.09Å; N944-S948 PolarHBondContact O-N 3.31Å |
| 945 | Y | 62.2 | Low | 59 | Low | 59 Ų | 59 | 36.5 Ų | 36.5 | 23% | 0.231 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -52.3 | -44.8 | 178.7 | 176.3 | -97.3 | 0 | 0 | 0 | 112.9 | P934 F936 E941 F942 S948 E949 | P934-Y945 HydrophobicContact CG-CE1 4.43Å; F936-Y945 AromaticContact CE1-CD1 3.86Å; F936-Y945 HydrophobicContact CE1-CD1 3.86Å; F936-Y945 HydrophobicContact CE1-CD2 4.34Å; F936-Y945 AromaticContact CE1-CG 3.63Å; F936-Y945 HydrophobicContact CE1-CG 3.63Å; F936-Y945 HydrophobicContact CE2-CD1 4.45Å; F936-Y945 AromaticContact CZ-CD1 3.37Å; F936-Y945 HydrophobicContact CZ-CD1 3.37Å; F936-Y945 HydrophobicContact CZ-CD2 4.45Å; F936-Y945 AromaticContact CZ-CE1 3.92Å; F936-Y945 HydrophobicContact CZ-CE1 3.92Å; F936-Y945 AromaticContact CZ-CG 3.66Å; F936-Y945 HydrophobicContact CZ-CG 3.66Å; E941-Y945 WeakPolarHBondContact O-CB 3.18Å; E941-Y945 PolarHBondContact O-N 2.97Å; F942-Y945 PolarHBondContact O-N 2.84Å; Y945-S948 WeakPolarHBondContact O-CB 3.42Å; Y945-S948 PolarHBondContact O-N 3.08Å; Y945-E949 HydrophobicContact CD1-CG 4.38Å; Y945-E949 HydrophobicContact CD2-CG 4.45Å; Y945-E949 HydrophobicContact CE1-CG 3.84Å; Y945-E949 HydrophobicContact CE2-CG 3.88Å; Y945-E949 PolarHBondContact O-N 2.7Å |
| 946 | V | 62.2 | Low | 60.2 | Low | 9 Ų | 9 | 31.5 Ų | 31.5 | 6% | 0.055 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.4 | -51.9 | 177.3 | 168.5 | 0 | 0 | 0 | 0 | 111.3 | I763 W916 F942 I943 N944 S948 E949 F950 | I763-V946 HydrophobicContact CG2-CG1 3.95Å; W916-V946 HydrophobicContact CH2-CG1 3.84Å; W916-V946 HydrophobicContact CH2-CG2 4.33Å; W916-V946 HydrophobicContact CZ3-CG1 3.5Å; F942-V946 HydrophobicContact CD1-CG2 4.2Å; F942-V946 HydrophobicContact CD2-CG2 4.08Å; F942-V946 HydrophobicContact CE1-CG2 3.8Å; F942-V946 HydrophobicContact CE2-CG2 3.66Å; F942-V946 HydrophobicContact CG-CG2 4.35Å; F942-V946 HydrophobicContact CZ-CG2 3.52Å; F942-V946 WeakPolarHBondContact O-CB 3.27Å; F942-V946 VanDerWaalsContact O-CG2 3.25Å; F942-V946 WeakPolarHBondContact O-CG2 3.49Å; F942-V946 PolarHBondContact O-N 3.34Å; I943-V946 PolarHBondContact O-N 3.4Å; N944-V946 VanDerWaalsContact C-N 3.25Å; N944-V946 PolarHBondContact O-N 3.43Å; V946-S948 PolarHBondContact O-N 3.25Å; V946-E949 PolarHBondContact O-N 3.3Å; V946-F950 HydrophobicContact CG1-CD2 3.66Å; V946-F950 HydrophobicContact CG1-CE2 3.77Å; V946-F950 VanDerWaalsContact O-CD2 3.29Å; V946-F950 WeakPolarHBondContact O-CD2 3.46Å; V946-F950 PolarHBondContact O-N 3.06Å |
| 947 | L | 62.4 | Low | 61.1 | Low | 8 Ų | 8 | 31.8 Ų | 31.8 | 4% | 0.042 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -58.8 | -35 | 179.6 | -69.4 | 174.2 | 0 | 0 | 0 | 112 | I763 L767 I943 N944 S951 | I763-L947 HydrophobicContact CG2-CD2 4.22Å; L767-L947 HydrophobicContact CB-CD2 3.61Å; L767-L947 HydrophobicContact CD1-CD2 3.83Å; L767-L947 HydrophobicContact CG-CD2 4.22Å; I943-L947 HydrophobicContact CG2-CD1 3.68Å; I943-L947 HydrophobicContact CG2-CG 4.16Å; I943-L947 WeakPolarHBondContact O-CB 3.36Å; I943-L947 VanDerWaalsContact O-CG 3.3Å; I943-L947 WeakPolarHBondContact O-CG 3.32Å; I943-L947 PolarHBondContact O-N 2.96Å; N944-L947 PolarHBondContact O-N 3.27Å; N944-L947 VanDerWaalsContact O-N 3.09Å; L947-S951 WeakPolarHBondContact O-CB 3.5Å; L947-S951 PolarHBondContact O-N 3.46Å; L947-S951 VanDerWaalsContact O-N 3.1Å |
| 948 | S | 64.6 | Low | 62 | Low | 8 Ų | 8 | 31 Ų | 31 | 6% | 0.056 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.8 | -55 | 173.1 | 178.6 | 0 | 0 | 0 | 0 | 112.8 | M693 N944 Y945 V946 F950 S951 R952 | M693-S948 WeakPolarHBondContact CB-OG 3.41Å; M693-S948 VanDerWaalsContact CG-CB 3.43Å; M693-S948 WeakPolarHBondContact CG-OG 3.12Å; N944-S948 PolarHBondContact O-N 3.31Å; Y945-S948 WeakPolarHBondContact O-CB 3.42Å; Y945-S948 PolarHBondContact O-N 3.08Å; V946-S948 PolarHBondContact O-N 3.25Å; S948-F950 VanDerWaalsContact C-N 3.29Å; S948-F950 PolarHBondContact O-N 3.37Å; S948-S951 PolarHBondContact O-N 3.39Å; S948-S951 VanDerWaalsContact O-N 3.15Å; S948-R952 WeakPolarHBondContact O-CB 3.19Å; S948-R952 PolarHBondContact O-N 2.85Å |
| 949 | E | 65.5 | Low | 62.6 | Low | 26 Ų | 26 | 34.8 Ų | 34.8 | 12% | 0.121 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.7 | -40.4 | -174.6 | -78.6 | -62.1 | 161.3 | 0 | 0 | 110.9 | Y945 V946 R952 L953 | Y945-E949 HydrophobicContact CD1-CG 4.38Å; Y945-E949 HydrophobicContact CD2-CG 4.45Å; Y945-E949 HydrophobicContact CE1-CG 3.84Å; Y945-E949 HydrophobicContact CE2-CG 3.88Å; Y945-E949 PolarHBondContact O-N 2.7Å; V946-E949 PolarHBondContact O-N 3.3Å; E949-R952 PolarHBondContact O-N 3.24Å; E949-R952 IonicContact OE1-NE 2.95Å; E949-R952 IonicContact OE1-NH2 3.81Å; E949-R952 IonicContact OE2-CZ 2.79Å; E949-R952 IonicContact OE2-NE 2.9Å; E949-R952 PolarHBondContact OE2-NE 3.15Å; E949-R952 IonicContact OE2-NH2 3.39Å; E949-R952 PolarHBondContact OE2-NH2 3.16Å; E949-L953 HydrophobicContact CB-CD1 4.5Å; E949-L953 VanDerWaalsContact O-CB 3.27Å; E949-L953 WeakPolarHBondContact O-CB 3.39Å; E949-L953 WeakPolarHBondContact O-CD1 3.5Å; E949-L953 VanDerWaalsContact O-CG 3.29Å; E949-L953 WeakPolarHBondContact O-CG 3.44Å; E949-L953 PolarHBondContact O-N 2.84Å |
| 950 | F | 68.5 | Low | 63.1 | Low | 2 Ų | 2 | 33.3 Ų | 33.3 | 1% | 0.009 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.2 | -44.2 | 174.8 | -87.4 | -85.3 | 0 | 0 | 0 | 112.2 | L767 F912 I915 W916 W919 V946 S948 R952 L954 | L767-F950 HydrophobicContact CD2-CB 4.4Å; F912-F950 HydrophobicContact CD2-CD1 4.11Å; F912-F950 HydrophobicContact CD2-CE1 4.16Å; F912-F950 HydrophobicContact CE2-CB 4.48Å; F912-F950 AromaticContact CE2-CD1 3.43Å; F912-F950 HydrophobicContact CE2-CD1 3.43Å; F912-F950 VanDerWaalsContact CE2-CD1 3.43Å; F912-F950 HydrophobicContact CE2-CD2 4.32Å; F912-F950 AromaticContact CE2-CE1 3.55Å; F912-F950 HydrophobicContact CE2-CE1 3.55Å; F912-F950 HydrophobicContact CE2-CE2 4.46Å; F912-F950 AromaticContact CE2-CG 3.82Å; F912-F950 HydrophobicContact CE2-CG 3.82Å; F912-F950 HydrophobicContact CE2-CZ 4.08Å; F912-F950 HydrophobicContact CZ-CD1 4.21Å; F912-F950 HydrophobicContact CZ-CD2 4.47Å; F912-F950 HydrophobicContact CZ-CE1 4.03Å; F912-F950 HydrophobicContact CZ-CE2 4.34Å; F912-F950 HydrophobicContact CZ-CG 4.41Å; F912-F950 HydrophobicContact CZ-CZ 4.09Å; I915-F950 HydrophobicContact CG2-CE1 3.93Å; W916-F950 AromaticContact CE3-CE2 3.58Å; W916-F950 HydrophobicContact CE3-CE2 3.58Å; W916-F950 AromaticContact CE3-CZ 3.43Å; W916-F950 HydrophobicContact CE3-CZ 3.43Å; W916-F950 VanDerWaalsContact CE3-CZ 3.43Å; W916-F950 HydrophobicContact CZ3-CD2 4.37Å; W916-F950 AromaticContact CZ3-CE2 3.37Å; W916-F950 HydrophobicContact CZ3-CE2 3.37Å; W916-F950 AromaticContact CZ3-CZ 3.77Å; W916-F950 HydrophobicContact CZ3-CZ 3.77Å; W919-F950 HydrophobicContact CD2-CE2 4.25Å; W919-F950 AromaticContact CD2-CZ 3.92Å; W919-F950 HydrophobicContact CD2-CZ 3.92Å; W919-F950 AromaticContact CE3-CE1 3.73Å; W919-F950 HydrophobicContact CE3-CE1 3.73Å; W919-F950 AromaticContact CE3-CE2 3.86Å; W919-F950 HydrophobicContact CE3-CE2 3.86Å; W919-F950 AromaticContact CE3-CZ 3.22Å; W919-F950 HydrophobicContact CE3-CZ 3.22Å; W919-F950 HydrophobicContact CH2-CD1 4.38Å; W919-F950 AromaticContact CH2-CD2 3.84Å; W919-F950 HydrophobicContact CH2-CD2 3.84Å; W919-F950 HydrophobicContact CH2-CE1 4.11Å; W919-F950 AromaticContact CH2-CE2 3.48Å; W919-F950 HydrophobicContact CH2-CE2 3.48Å; W919-F950 VanDerWaalsContact CH2-CE2 3.48Å; W919-F950 HydrophobicContact CH2-CG 4.29Å; W919-F950 AromaticContact CH2-CZ 3.66Å; W919-F950 HydrophobicContact CH2-CZ 3.66Å; W919-F950 HydrophobicContact CZ2-CD2 4.48Å; W919-F950 AromaticContact CZ2-CE2 3.91Å; W919-F950 HydrophobicContact CZ2-CE2 3.91Å; W919-F950 HydrophobicContact CZ2-CZ 4.29Å; W919-F950 AromaticContact CZ3-CD1 3.9Å; W919-F950 HydrophobicContact CZ3-CD1 3.9Å; W919-F950 HydrophobicContact CZ3-CD2 4.06Å; W919-F950 AromaticContact CZ3-CE1 3.33Å; W919-F950 HydrophobicContact CZ3-CE1 3.33Å; W919-F950 AromaticContact CZ3-CE2 3.46Å; W919-F950 HydrophobicContact CZ3-CE2 3.46Å; W919-F950 VanDerWaalsContact CZ3-CE2 3.46Å; W919-F950 HydrophobicContact CZ3-CG 4.26Å; W919-F950 AromaticContact CZ3-CZ 3.08Å; W919-F950 HydrophobicContact CZ3-CZ 3.08Å; V946-F950 HydrophobicContact CG1-CD2 3.66Å; V946-F950 HydrophobicContact CG1-CE2 3.77Å; V946-F950 VanDerWaalsContact O-CD2 3.29Å; V946-F950 WeakPolarHBondContact O-CD2 3.46Å; V946-F950 PolarHBondContact O-N 3.06Å; S948-F950 VanDerWaalsContact C-N 3.29Å; S948-F950 PolarHBondContact O-N 3.37Å; F950-R952 VanDerWaalsContact C-N 3.29Å; F950-R952 PolarHBondContact O-N 3.17Å; F950-L954 HydrophobicContact CD1-CD1 3.81Å; F950-L954 WeakPolarHBondContact O-CB 3.17Å; F950-L954 WeakPolarHBondContact O-CG 3.43Å; F950-L954 PolarHBondContact O-N 3.41Å; F950-L954 VanDerWaalsContact O-N 3.12Å |
| 951 | S | 66.7 | Low | 63.8 | Low | 8 Ų | 8 | 28.4 Ų | 28.4 | 6% | 0.056 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -64.9 | -34 | 177 | -167.9 | 0 | 0 | 0 | 0 | 112.2 | C690 L947 S948 S955 | C690-S951 PolarHBondContact SG-OG 2.99Å; L947-S951 WeakPolarHBondContact O-CB 3.5Å; L947-S951 PolarHBondContact O-N 3.46Å; L947-S951 VanDerWaalsContact O-N 3.1Å; S948-S951 PolarHBondContact O-N 3.39Å; S948-S951 VanDerWaalsContact O-N 3.15Å; S951-S955 VanDerWaalsContact O-CB 3.27Å; S951-S955 WeakPolarHBondContact O-CB 3.49Å; S951-S955 PolarHBondContact O-N 3.21Å |
| 952 | R | 67.3 | Low | 64.3 | Low | 63 Ų | 63 | 27.9 Ų | 27.9 | 24% | 0.238 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -74.8 | -49.8 | 179.6 | -169.9 | -174.5 | 67.2 | 76.9 | 1.5 | 111.8 | S948 E949 F950 I958 | S948-R952 WeakPolarHBondContact O-CB 3.19Å; S948-R952 PolarHBondContact O-N 2.85Å; E949-R952 PolarHBondContact O-N 3.24Å; E949-R952 IonicContact OE1-NE 2.95Å; E949-R952 IonicContact OE1-NH2 3.81Å; E949-R952 IonicContact OE2-CZ 2.79Å; E949-R952 IonicContact OE2-NE 2.9Å; E949-R952 PolarHBondContact OE2-NE 3.15Å; E949-R952 IonicContact OE2-NH2 3.39Å; E949-R952 PolarHBondContact OE2-NH2 3.16Å; F950-R952 VanDerWaalsContact C-N 3.29Å; F950-R952 PolarHBondContact O-N 3.17Å; R952-I958 HydrophobicContact CG-CD1 4.25Å; R952-I958 HydrophobicContact CG-CG2 4.42Å |
| 953 | L | 65.9 | Low | 64.7 | Low | 41 Ų | 41 | 28.3 Ų | 28.3 | 22% | 0.215 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -68.7 | -34.7 | -176.1 | -73.4 | 165.3 | 0 | 0 | 0 | 112.8 | W919 E949 G963 | W919-L953 HydrophobicContact CH2-CD1 3.73Å; W919-L953 HydrophobicContact CZ3-CD1 4.33Å; E949-L953 HydrophobicContact CB-CD1 4.5Å; E949-L953 VanDerWaalsContact O-CB 3.27Å; E949-L953 WeakPolarHBondContact O-CB 3.39Å; E949-L953 WeakPolarHBondContact O-CD1 3.5Å; E949-L953 VanDerWaalsContact O-CG 3.29Å; E949-L953 WeakPolarHBondContact O-CG 3.44Å; E949-L953 PolarHBondContact O-N 2.84Å; L953-G963 WeakPolarHBondContact O-CA 3.25Å |
| 954 | L | 72.2 | Confident | 65.4 | Low | 4 Ų | 4 | 27.7 Ų | 27.7 | 2% | 0.021 | 15% | 0.146 | C | C | . | . | S | Bend | trans | -101 | 0 | -173.1 | -57.4 | 177.6 | 0 | 0 | 0 | 113.6 | L850 L853 I915 F950 P956 V967 | L850-L954 HydrophobicContact CD2-CB 3.52Å; L853-L954 HydrophobicContact CD1-CB 4.2Å; L853-L954 HydrophobicContact CD1-CD1 3.87Å; I915-L954 HydrophobicContact CD1-CD1 4.32Å; F950-L954 HydrophobicContact CD1-CD1 3.81Å; F950-L954 WeakPolarHBondContact O-CB 3.17Å; F950-L954 WeakPolarHBondContact O-CG 3.43Å; F950-L954 PolarHBondContact O-N 3.41Å; F950-L954 VanDerWaalsContact O-N 3.12Å; L954-P956 WeakPolarHBondContact O-CD 3.37Å; L954-V967 HydrophobicContact CD2-CG2 3.59Å |
| 955 | S | 70.1 | Confident | 66 | Low | 8 Ų | 8 | 26 Ų | 26 | 6% | 0.056 | 14% | 0.138 | C | C | . | . | trans | -71 | 126.4 | 175.6 | -178.4 | 0 | 0 | 0 | 0 | 110.8 | S951 T957 I958 | S951-S955 VanDerWaalsContact O-CB 3.27Å; S951-S955 WeakPolarHBondContact O-CB 3.49Å; S951-S955 PolarHBondContact O-N 3.21Å; S955-T957 PolarHBondContact O-N 2.92Å; S955-T957 PolarHBondContact OG-OG1 3.17Å; S955-I958 PolarHBondContact O-N 3.02Å | ||
| 956 | P | 67.8 | Low | 66.3 | Low | 2 Ų | 2 | 24.1 Ų | 24.1 | 1% | 0.013 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -16.9 | 179.6 | -18.4 | 32.1 | 0 | 0 | 0 | 115 | F849 L954 G961 I964 L987 W1066 | F849-P956 HydrophobicContact CB-CG 4.21Å; F849-P956 HydrophobicContact CD1-CG 3.8Å; F849-P956 HydrophobicContact CE1-CG 4.33Å; F849-P956 HydrophobicContact CG-CG 3.96Å; L954-P956 WeakPolarHBondContact O-CD 3.37Å; P956-G961 PolarHBondContact O-N 2.89Å; P956-I964 HydrophobicContact CB-CD1 3.34Å; P956-I964 HydrophobicContact CG-CD1 3.46Å; P956-I964 VanDerWaalsContact CG-CD1 3.46Å; P956-I964 HydrophobicContact CG-CG1 4.49Å; P956-L987 HydrophobicContact CB-CD2 4.07Å; P956-L987 HydrophobicContact CG-CD2 4.09Å; P956-W1066 HydrophobicContact CB-CE3 4Å; P956-W1066 HydrophobicContact CB-CH2 3.84Å; P956-W1066 HydrophobicContact CB-CZ3 3.24Å; P956-W1066 HydrophobicContact CG-CE3 4.41Å; P956-W1066 HydrophobicContact CG-CH2 3.64Å; P956-W1066 HydrophobicContact CG-CZ3 3.28Å |
| 957 | T | 62.8 | Low | 66.9 | Low | 60 Ų | 60 | 23.8 Ų | 23.8 | 37% | 0.368 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -18.9 | 177.9 | 56.9 | 0 | 0 | 0 | 0 | 112.9 | S955 W1066 | S955-T957 PolarHBondContact O-N 2.92Å; S955-T957 PolarHBondContact OG-OG1 3.17Å; T957-W1066 HydrophobicContact CG2-CE3 4.1Å |
| 958 | I | 62.3 | Low | 67.7 | Low | 40 Ų | 40 | 23.4 Ų | 23.4 | 21% | 0.205 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -95.9 | 138.5 | -174.3 | -59 | 177.3 | 0 | 0 | 0 | 109.6 | R952 S955 G960 G961 | R952-I958 HydrophobicContact CG-CD1 4.25Å; R952-I958 HydrophobicContact CG-CG2 4.42Å; S955-I958 PolarHBondContact O-N 3.02Å; I958-G960 PolarHBondContact O-N 3.35Å; I958-G961 PolarHBondContact O-N 3.09Å |
| 959 | D | 59.9 | Low | 68.2 | Low | 101 Ų | 101 | 24.9 Ų | 24.9 | 54% | 0.54 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.2 | 18.3 | -177.4 | -67.8 | -34.8 | 0 | 0 | 0 | 114.9 | Q962 | D959-Q962 WeakPolarHBondContact O-CG 3.46Š|
| 960 | G | 61.4 | Low | 68.6 | Low | 8 Ų | 8 | 23.9 Ų | 23.9 | 8% | 0.082 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.5 | 20.6 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | I958 | I958-G960 PolarHBondContact O-N 3.35Š|
| 961 | G | 66.2 | Low | 69.1 | Low | 1 Ų | 1 | 23.8 Ų | 23.8 | 1% | 0.01 | 13% | 0.128 | C | C | . | . | S | Bend | trans | 80.2 | 18.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | P956 I958 G963 I964 | P956-G961 PolarHBondContact O-N 2.89Å; I958-G961 PolarHBondContact O-N 3.09Å; G961-G963 VanDerWaalsContact C-N 3.28Å; G961-G963 PolarHBondContact O-N 2.87Å; G961-I964 VanDerWaalsContact O-CB 3.29Å; G961-I964 WeakPolarHBondContact O-CB 3.25Å; G961-I964 PolarHBondContact O-N 3.34Å |
| 962 | Q | 65.5 | Low | 69.7 | Low | 74 Ų | 74 | 23.5 Ų | 23.5 | 35% | 0.346 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -58.1 | -36.2 | -179.1 | -77.9 | -172.6 | -19.9 | 0 | 0 | 113.4 | D959 I964 V965 L1133 I1136 | D959-Q962 WeakPolarHBondContact O-CG 3.46Å; Q962-I964 PolarHBondContact O-N 3Å; Q962-V965 VanDerWaalsContact O-CB 3.31Å; Q962-V965 WeakPolarHBondContact O-CB 3.48Å; Q962-V965 PolarHBondContact O-N 3.13Å; Q962-V965 VanDerWaalsContact O-N 3.14Å; Q962-L1133 HydrophobicContact CG-CD2 4.13Å; Q962-I1136 HydrophobicContact CG-CD1 4.29Å |
| 963 | G | 66.8 | Low | 70 | Confident | 18 Ų | 18 | 22.2 Ų | 22.2 | 19% | 0.186 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -64.8 | -24.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | L953 G961 V965 S966 | L953-G963 WeakPolarHBondContact O-CA 3.25Å; G961-G963 VanDerWaalsContact C-N 3.28Å; G961-G963 PolarHBondContact O-N 2.87Å; G963-V965 VanDerWaalsContact C-N 3.31Å; G963-V965 PolarHBondContact O-N 3.21Å; G963-S966 WeakPolarHBondContact O-CB 3.5Å; G963-S966 PolarHBondContact O-N 3.04Å |
| 964 | I | 74.2 | Confident | 70.2 | Confident | 1 Ų | 1 | 21.4 Ų | 21.4 | 1% | 0.005 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -69.8 | -31.3 | 176 | -58.9 | 168.9 | 0 | 0 | 0 | 111.3 | F849 P956 G961 Q962 S966 V967 L968 L987 | F849-I964 HydrophobicContact CE1-CD1 4.18Å; F849-I964 HydrophobicContact CE1-CG1 3.97Å; F849-I964 HydrophobicContact CZ-CD1 4.21Å; F849-I964 HydrophobicContact CZ-CG1 4.08Å; F849-I964 HydrophobicContact CZ-CG2 3.84Å; P956-I964 HydrophobicContact CB-CD1 3.34Å; P956-I964 HydrophobicContact CG-CD1 3.46Å; P956-I964 VanDerWaalsContact CG-CD1 3.46Å; P956-I964 HydrophobicContact CG-CG1 4.49Å; G961-I964 VanDerWaalsContact O-CB 3.29Å; G961-I964 WeakPolarHBondContact O-CB 3.25Å; G961-I964 PolarHBondContact O-N 3.34Å; Q962-I964 PolarHBondContact O-N 3Å; I964-S966 PolarHBondContact O-N 3.33Å; I964-V967 PolarHBondContact O-N 3.15Å; I964-L968 HydrophobicContact CG2-CD1 3.76Å; I964-L968 HydrophobicContact CG2-CG 4.02Å; I964-L968 PolarHBondContact O-N 2.86Å; I964-L987 HydrophobicContact CD1-CD2 4.21Å; I964-L987 HydrophobicContact CG2-CD1 4.2Å |
| 965 | V | 72.6 | Confident | 70.2 | Confident | 6 Ų | 6 | 21.4 Ų | 21.4 | 4% | 0.036 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -56.2 | -38.6 | 176.1 | -177.8 | 0 | 0 | 0 | 0 | 110 | Q962 G963 L968 W969 F1073 L1133 I1136 L1137 | Q962-V965 VanDerWaalsContact O-CB 3.31Å; Q962-V965 WeakPolarHBondContact O-CB 3.48Å; Q962-V965 PolarHBondContact O-N 3.13Å; Q962-V965 VanDerWaalsContact O-N 3.14Å; G963-V965 VanDerWaalsContact C-N 3.31Å; G963-V965 PolarHBondContact O-N 3.21Å; V965-L968 PolarHBondContact O-N 3.29Å; V965-W969 VanDerWaalsContact O-CB 3.28Å; V965-W969 WeakPolarHBondContact O-CB 3.24Å; V965-W969 PolarHBondContact O-N 3.48Å; V965-F1073 HydrophobicContact CG1-CZ 4.4Å; V965-F1073 HydrophobicContact CG2-CZ 4.26Å; V965-L1133 HydrophobicContact CG2-CB 4.16Å; V965-L1133 HydrophobicContact CG2-CD1 4.23Å; V965-L1133 HydrophobicContact CG2-CD2 3.93Å; V965-L1133 HydrophobicContact CG2-CG 4.33Å; V965-I1136 HydrophobicContact CG1-CB 4.48Å; V965-I1136 HydrophobicContact CG1-CG2 4.08Å; V965-L1137 HydrophobicContact CG1-CB 4.07Å; V965-L1137 HydrophobicContact CG1-CD1 3.9Å |
| 966 | S | 68.5 | Low | 70.5 | Confident | 18 Ų | 18 | 21.6 Ų | 21.6 | 13% | 0.126 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -69 | -39.2 | 178.3 | -59.2 | 0 | 0 | 0 | 0 | 112.5 | G963 I964 L970 | G963-S966 WeakPolarHBondContact O-CB 3.5Å; G963-S966 PolarHBondContact O-N 3.04Å; I964-S966 PolarHBondContact O-N 3.33Å; S966-L970 PolarHBondContact O-N 3.43Å; S966-L970 VanDerWaalsContact O-N 3.15Å |
| 967 | V | 74.8 | Confident | 71 | Confident | 2 Ų | 2 | 22.3 Ų | 22.3 | 1% | 0.012 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -65.8 | -46.7 | 175.3 | -180 | 0 | 0 | 0 | 0 | 110.9 | L853 I911 I915 L954 I964 L970 L971 L983 | L853-V967 HydrophobicContact CD2-CG1 3.99Å; I911-V967 HydrophobicContact CG2-CG1 3.91Å; I915-V967 HydrophobicContact CD1-CG1 4.15Å; I915-V967 HydrophobicContact CD1-CG2 3.7Å; I915-V967 HydrophobicContact CG1-CG2 4.44Å; L954-V967 HydrophobicContact CD2-CG2 3.59Å; I964-V967 PolarHBondContact O-N 3.15Å; V967-L970 PolarHBondContact O-N 3.24Å; V967-L971 HydrophobicContact CG1-CD1 4.18Å; V967-L971 WeakPolarHBondContact O-CG 3.24Å; V967-L971 PolarHBondContact O-N 3.5Å; V967-L971 VanDerWaalsContact O-N 3.12Å; V967-L983 HydrophobicContact CG1-CD1 4.22Å |
| 968 | L | 79.2 | Confident | 71.6 | Confident | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -67.1 | -36.2 | 178.9 | -71.8 | 171.9 | 0 | 0 | 0 | 111.8 | I964 V965 L970 L971 L972 V980 L983 F1073 | I964-L968 HydrophobicContact CG2-CD1 3.76Å; I964-L968 HydrophobicContact CG2-CG 4.02Å; I964-L968 PolarHBondContact O-N 2.86Å; V965-L968 PolarHBondContact O-N 3.29Å; L968-L970 PolarHBondContact O-N 3.4Å; L968-L971 PolarHBondContact O-N 3.33Å; L968-L972 VanDerWaalsContact O-CB 3.3Å; L968-L972 WeakPolarHBondContact O-CB 3.21Å; L968-L972 WeakPolarHBondContact O-CG 3.4Å; L968-L972 PolarHBondContact O-N 3.26Å; L968-V980 HydrophobicContact CD2-CG1 4.31Å; L968-L983 HydrophobicContact CD2-CB 4.43Å; L968-F1073 HydrophobicContact CB-CZ 4.38Å; L968-F1073 HydrophobicContact CD1-CE1 3.42Å; L968-F1073 VanDerWaalsContact CD1-CE1 3.42Å; L968-F1073 HydrophobicContact CD1-CZ 3.74Å |
| 969 | W | 75.2 | Confident | 72.4 | Confident | 39 Ų | 39 | 20.8 Ų | 20.8 | 15% | 0.148 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -56.8 | -50.5 | 172.3 | -178.7 | 84.8 | 0 | 0 | 0 | 111.3 | I879 P902 W921 V965 L971 L972 W973 L1137 | I879-W969 VanDerWaalsContact CG2-NE1 3.34Å; P902-W969 HydrophobicContact CG-CH2 4.45Å; W921-W969 AromaticContact CE2-CZ3 3.92Å; W921-W969 HydrophobicContact CH2-CD2 4.15Å; W921-W969 AromaticContact CH2-CE3 3.44Å; W921-W969 HydrophobicContact CH2-CE3 3.44Å; W921-W969 VanDerWaalsContact CH2-CE3 3.44Å; W921-W969 HydrophobicContact CH2-CZ3 4Å; W921-W969 AromaticContact CZ2-CD2 3.91Å; W921-W969 HydrophobicContact CZ2-CD2 3.91Å; W921-W969 AromaticContact CZ2-CE3 3.33Å; W921-W969 HydrophobicContact CZ2-CE3 3.33Å; W921-W969 HydrophobicContact CZ2-CH2 4.33Å; W921-W969 AromaticContact CZ2-CZ3 3.57Å; W921-W969 HydrophobicContact CZ2-CZ3 3.57Å; W921-W969 HydrophobicContact CZ3-CE3 4.34Å; V965-W969 VanDerWaalsContact O-CB 3.28Å; V965-W969 WeakPolarHBondContact O-CB 3.24Å; V965-W969 PolarHBondContact O-N 3.48Å; W969-L971 VanDerWaalsContact C-N 3.28Å; W969-L971 PolarHBondContact O-N 3.33Å; W969-L972 PolarHBondContact O-N 3.24Å; W969-W973 HydrophobicContact CZ2-CD2 4.31Å; W969-W973 HydrophobicContact CZ2-CE3 4.44Å; W969-W973 HydrophobicContact CZ2-CG 4.44Å; W969-W973 VanDerWaalsContact O-CB 3.28Å; W969-W973 WeakPolarHBondContact O-CB 3.34Å; W969-W973 PolarHBondContact O-N 3.05Å; W969-L1137 HydrophobicContact CB-CD1 3.56Å; W969-L1137 VanDerWaalsContact CD1-CD1 3.49Å; W969-L1137 HydrophobicContact CG-CD1 3.92Å |
| 970 | L | 72.8 | Confident | 73.5 | Confident | 6 Ų | 6 | 16 Ų | 16 | 3% | 0.031 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -61.6 | -37 | -179 | -168.3 | 118.2 | 0 | 0 | 0 | 112.2 | Q905 Q914 N918 S966 V967 L968 C974 | Q905-L970 PolarHBondContact NE2-O 2.68Å; Q914-L970 HydrophobicContact CB-CD2 4.06Å; N918-L970 HydrophobicContact CB-CD1 4.06Å; S966-L970 PolarHBondContact O-N 3.43Å; S966-L970 VanDerWaalsContact O-N 3.15Å; V967-L970 PolarHBondContact O-N 3.24Å; L968-L970 PolarHBondContact O-N 3.4Å; L970-C974 PolarHBondContact O-N 3.3Å |
| 971 | L | 78.4 | Confident | 74.4 | Confident | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -75.5 | -39.5 | 177.8 | -67.2 | 173.5 | 0 | 0 | 0 | 112.9 | V858 I911 V967 L968 W969 G975 H976 E979 V980 L983 | V858-L971 HydrophobicContact CG2-CD2 4.45Å; I911-L971 HydrophobicContact CD1-CD1 4.28Å; I911-L971 HydrophobicContact CG1-CD2 4.36Å; V967-L971 HydrophobicContact CG1-CD1 4.18Å; V967-L971 WeakPolarHBondContact O-CG 3.24Å; V967-L971 PolarHBondContact O-N 3.5Å; V967-L971 VanDerWaalsContact O-N 3.12Å; L968-L971 PolarHBondContact O-N 3.33Å; W969-L971 VanDerWaalsContact C-N 3.28Å; W969-L971 PolarHBondContact O-N 3.33Å; L971-G975 PolarHBondContact O-N 2.99Å; L971-G975 VanDerWaalsContact O-N 3.15Å; L971-H976 HydrophobicContact CD2-CB 4.19Å; L971-H976 PolarHBondContact O-N 3.31Å; L971-E979 HydrophobicContact CD2-CB 4.48Å; L971-V980 HydrophobicContact CB-CG2 3.56Å; L971-L983 HydrophobicContact CD1-CD1 3.53Å |
| 972 | L | 79.8 | Confident | 74.8 | Confident | 1 Ų | 1 | 20.5 Ų | 20.5 | 1% | 0.005 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -64.9 | -48.1 | 175.8 | -73.6 | 168.9 | 0 | 0 | 0 | 110.5 | L874 L968 W969 C974 G975 V980 L1080 W1084 L1137 | L874-L972 WeakPolarHBondContact CD1-O 3.33Å; L874-L972 HydrophobicContact CD2-CB 4.33Å; L968-L972 VanDerWaalsContact O-CB 3.3Å; L968-L972 WeakPolarHBondContact O-CB 3.21Å; L968-L972 WeakPolarHBondContact O-CG 3.4Å; L968-L972 PolarHBondContact O-N 3.26Å; W969-L972 PolarHBondContact O-N 3.24Å; L972-C974 PolarHBondContact O-N 3.1Å; L972-G975 PolarHBondContact O-N 3.38Å; L972-V980 HydrophobicContact CD2-CG1 4.04Å; L972-V980 HydrophobicContact CD2-CG2 4.11Å; L972-V980 HydrophobicContact CG-CG2 4.23Å; L972-L1080 HydrophobicContact CD2-CB 4.38Å; L972-L1080 HydrophobicContact CD2-CD1 4.38Å; L972-W1084 HydrophobicContact CB-CH2 4.04Å; L972-W1084 HydrophobicContact CB-CZ3 4.43Å; L972-W1084 HydrophobicContact CD2-CH2 3.42Å; L972-W1084 VanDerWaalsContact CD2-CH2 3.42Å; L972-W1084 HydrophobicContact CD2-CZ2 4.49Å; L972-W1084 HydrophobicContact CD2-CZ3 3.57Å; L972-W1084 HydrophobicContact CG-CH2 4.34Å; L972-L1137 HydrophobicContact CD1-CD2 3.76Å |
| 973 | W | 73.8 | Confident | 75.5 | Confident | 37 Ų | 37 | 17.1 Ų | 17.1 | 14% | 0.14 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -58.4 | -32.9 | -179.7 | -172 | -101.6 | 0 | 0 | 0 | 113.3 | L874 I879 W969 | L874-W973 HydrophobicContact CD1-CE3 4.14Å; I879-W973 HydrophobicContact CG2-CE3 3.85Å; I879-W973 HydrophobicContact CG2-CZ3 3.76Å; W969-W973 HydrophobicContact CZ2-CD2 4.31Å; W969-W973 HydrophobicContact CZ2-CE3 4.44Å; W969-W973 HydrophobicContact CZ2-CG 4.44Å; W969-W973 VanDerWaalsContact O-CB 3.28Å; W969-W973 WeakPolarHBondContact O-CB 3.34Å; W969-W973 PolarHBondContact O-N 3.05Å |
| 974 | C | 70 | Confident | 76.2 | Confident | 24 Ų | 24 | 16.2 Ų | 16.2 | 16% | 0.162 | 8% | 0.082 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97 | 5.4 | 178 | -65.6 | 0 | 0 | 0 | 0 | 114.3 | L867 Q905 L970 L972 | L867-C974 WeakPolarHBondContact CD2-O 3.27Å; Q905-C974 VanDerWaalsContact CD-CB 3.47Å; Q905-C974 HydrophobicContact CG-CB 4.48Å; Q905-C974 PolarHBondContact NE2-SG 3.4Å; L970-C974 PolarHBondContact O-N 3.3Å; L972-C974 PolarHBondContact O-N 3.1Å |
| 975 | G | 73 | Confident | 76.3 | Confident | 4 Ų | 4 | 18.7 Ų | 18.7 | 4% | 0.041 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.2 | 24.1 | 170.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | L971 L972 S977 | L971-G975 PolarHBondContact O-N 2.99Å; L971-G975 VanDerWaalsContact O-N 3.15Å; L972-G975 PolarHBondContact O-N 3.38Å; G975-S977 VanDerWaalsContact C-N 3.26Å; G975-S977 PolarHBondContact O-N 3.23Å |
| 976 | H | 76.7 | Confident | 76.3 | Confident | 11 Ų | 11 | 18.7 Ų | 18.7 | 5% | 0.051 | 9% | 0.094 | C | C | . | . | trans | -83.8 | 64.2 | -177 | -66.2 | -58.6 | 0 | 0 | 0 | 112.7 | V858 R859 Q905 L971 N978 E979 V980 | V858-H976 HydrophobicContact CG1-CB 4.49Å; V858-H976 VanDerWaalsContact CG1-CD2 3.42Å; V858-H976 WeakPolarHBondContact CG1-CD2 3.4Å; V858-H976 WeakPolarHBondContact CG1-CE1 3.42Å; V858-H976 VanDerWaalsContact CG1-ND1 3.33Å; V858-H976 WeakPolarHBondContact CG1-ND1 3.12Å; V858-H976 WeakPolarHBondContact CG1-NE2 2.81Å; R859-H976 PolarHBondContact O-CE1 2.99Å; Q905-H976 PolarHBondContact OE1-CD2 3.03Å; Q905-H976 PolarHBondContact OE1-NE2 3.11Å; L971-H976 HydrophobicContact CD2-CB 4.19Å; L971-H976 PolarHBondContact O-N 3.31Å; H976-N978 VanDerWaalsContact C-N 3.31Å; H976-N978 PolarHBondContact O-N 3.4Å; H976-E979 HydrophobicContact CB-CB 4.36Å; H976-E979 HydrophobicContact CB-CG 4.43Å; H976-E979 PolarHBondContact O-N 3.18Å; H976-V980 WeakPolarHBondContact O-CG2 3.2Å; H976-V980 PolarHBondContact O-N 2.86Å | ||
| 977 | S | 76.5 | Confident | 76.7 | Confident | 17 Ų | 17 | 17.9 Ų | 17.9 | 12% | 0.119 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -51.3 | -45.7 | -173.6 | 61.6 | 0 | 0 | 0 | 0 | 113.6 | G975 E979 V980 M981 A1081 S1085 | G975-S977 VanDerWaalsContact C-N 3.26Å; G975-S977 PolarHBondContact O-N 3.23Å; S977-E979 VanDerWaalsContact C-N 3.32Å; S977-E979 PolarHBondContact O-N 3.5Å; S977-V980 PolarHBondContact O-N 3.26Å; S977-M981 WeakPolarHBondContact O-CB 3.41Å; S977-M981 WeakPolarHBondContact O-CG 3.38Å; S977-M981 PolarHBondContact O-N 3.06Å; S977-A1081 VanDerWaalsContact CB-O 3.28Å; S977-A1081 WeakPolarHBondContact CB-O 3.29Å; S977-A1081 WeakPolarHBondContact O-CB 3.34Å; S977-S1085 WeakPolarHBondContact CB-OG 3.35Å; S977-S1085 PolarHBondContact OG-OG 3.3Å; S977-S1085 VanDerWaalsContact OG-OG 3.09Å |
| 978 | N | 77.2 | Confident | 76.6 | Confident | 64 Ų | 64 | 18.6 Ų | 18.6 | 34% | 0.342 | 9% | 0.092 | S | C | . | . | H | α-helix | trans | -61.8 | -39 | -179.5 | -73.4 | -45.3 | 0 | 0 | 0 | 113 | R859 H976 M981 K982 | R859-N978 PolarHBondContact NH1-ND2 2.83Å; H976-N978 VanDerWaalsContact C-N 3.31Å; H976-N978 PolarHBondContact O-N 3.4Å; N978-M981 WeakPolarHBondContact OD1-CE 3.37Å; N978-K982 WeakPolarHBondContact O-CG 3.49Å; N978-K982 PolarHBondContact O-N 3.44Å |
| 979 | E | 78.9 | Confident | 75.8 | Confident | 4 Ų | 4 | 20.6 Ų | 20.6 | 2% | 0.019 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -78.5 | -36.3 | -177.9 | -51.2 | -45.9 | 147.3 | 0 | 0 | 111.3 | V856 I911 L971 H976 S977 K982 L983 | V856-E979 HydrophobicContact CG1-CG 4.2Å; V856-E979 WeakPolarHBondContact CG1-OE2 3.48Å; I911-E979 HydrophobicContact CD1-CB 4.35Å; L971-E979 HydrophobicContact CD2-CB 4.48Å; H976-E979 HydrophobicContact CB-CB 4.36Å; H976-E979 HydrophobicContact CB-CG 4.43Å; H976-E979 PolarHBondContact O-N 3.18Å; S977-E979 VanDerWaalsContact C-N 3.32Å; S977-E979 PolarHBondContact O-N 3.5Å; E979-K982 VanDerWaalsContact CD-NZ 3.28Å; E979-K982 PolarHBondContact O-N 3.31Å; E979-K982 IonicContact OE1-NZ 3.19Å; E979-K982 PolarHBondContact OE1-NZ 2.76Å; E979-K982 WeakPolarHBondContact OE2-CD 3.47Å; E979-K982 WeakPolarHBondContact OE2-CE 3.49Å; E979-K982 IonicContact OE2-NZ 2.78Å; E979-K982 PolarHBondContact OE2-NZ 3.13Å; E979-L983 WeakPolarHBondContact O-CB 3.44Å; E979-L983 WeakPolarHBondContact O-CG 3.23Å; E979-L983 PolarHBondContact O-N 3.11Å |
| 980 | V | 82.6 | Confident | 75 | Confident | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -58.3 | -48.7 | 168.5 | 175 | 0 | 0 | 0 | 0 | 110.5 | L968 L971 L972 H976 S977 K982 L983 C984 C1077 A1081 | L968-V980 HydrophobicContact CD2-CG1 4.31Å; L971-V980 HydrophobicContact CB-CG2 3.56Å; L972-V980 HydrophobicContact CD2-CG1 4.04Å; L972-V980 HydrophobicContact CD2-CG2 4.11Å; L972-V980 HydrophobicContact CG-CG2 4.23Å; H976-V980 WeakPolarHBondContact O-CG2 3.2Å; H976-V980 PolarHBondContact O-N 2.86Å; S977-V980 PolarHBondContact O-N 3.26Å; V980-K982 PolarHBondContact O-N 3.18Å; V980-L983 PolarHBondContact O-N 3.17Å; V980-C984 VanDerWaalsContact O-CB 3.29Å; V980-C984 WeakPolarHBondContact O-CB 3.48Å; V980-C984 PolarHBondContact O-N 3.26Å; V980-C984 PolarHBondContact O-SG 3.14Å; V980-C1077 HydrophobicContact CG1-CB 4.02Å; V980-A1081 HydrophobicContact CB-CB 4.16Å; V980-A1081 HydrophobicContact CG1-CB 4.06Å |
| 981 | M | 79.4 | Confident | 73.9 | Confident | 22 Ų | 22 | 24.4 Ų | 24.4 | 11% | 0.108 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -59 | -49.5 | 177.9 | -75 | -176.3 | -67.8 | 0 | 0 | 111.4 | S977 N978 L983 C984 M985 A1081 K1082 | S977-M981 WeakPolarHBondContact O-CB 3.41Å; S977-M981 WeakPolarHBondContact O-CG 3.38Å; S977-M981 PolarHBondContact O-N 3.06Å; N978-M981 WeakPolarHBondContact OD1-CE 3.37Å; M981-L983 PolarHBondContact O-N 2.94Å; M981-C984 PolarHBondContact O-N 3.26Å; M981-M985 VanDerWaalsContact O-CB 3.3Å; M981-M985 WeakPolarHBondContact O-CB 3.33Å; M981-M985 WeakPolarHBondContact O-CG 3.48Å; M981-M985 PolarHBondContact O-N 2.58Å; M981-A1081 HydrophobicContact CG-CB 3.54Å; M981-A1081 HydrophobicContact SD-CB 4.32Å; M981-K1082 HydrophobicContact SD-CD 3.62Å; M981-K1082 WeakPolarHBondContact SD-CE 3.35Å; M981-K1082 HydrophobicContact SD-CG 3.81Å |
| 982 | K | 75.4 | Confident | 72 | Confident | 82 Ų | 82 | 34.8 Ų | 34.8 | 36% | 0.357 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -56.4 | -51.9 | 178.6 | -74 | 178.8 | -152.1 | 154.3 | 0 | 111.2 | N978 E979 V980 M985 L986 | N978-K982 WeakPolarHBondContact O-CG 3.49Å; N978-K982 PolarHBondContact O-N 3.44Å; E979-K982 VanDerWaalsContact CD-NZ 3.28Å; E979-K982 PolarHBondContact O-N 3.31Å; E979-K982 IonicContact OE1-NZ 3.19Å; E979-K982 PolarHBondContact OE1-NZ 2.76Å; E979-K982 WeakPolarHBondContact OE2-CD 3.47Å; E979-K982 WeakPolarHBondContact OE2-CE 3.49Å; E979-K982 IonicContact OE2-NZ 2.78Å; E979-K982 PolarHBondContact OE2-NZ 3.13Å; V980-K982 PolarHBondContact O-N 3.18Å; K982-M985 PolarHBondContact O-N 3.12Å; K982-L986 WeakPolarHBondContact O-CG 3.5Å; K982-L986 PolarHBondContact O-N 2.7Å |
| 983 | L | 79.3 | Confident | 69.9 | Low | 3 Ų | 3 | 38.3 Ų | 38.3 | 2% | 0.016 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64.7 | -41.4 | -179 | -69.9 | -175.4 | 0 | 0 | 0 | 112.7 | F849 L853 I911 V967 L968 L971 E979 V980 M981 L986 L987 | F849-L983 HydrophobicContact CD2-CD2 4.22Å; F849-L983 HydrophobicContact CE2-CB 4.09Å; F849-L983 HydrophobicContact CE2-CD2 3.8Å; F849-L983 HydrophobicContact CE2-CG 4.37Å; F849-L983 HydrophobicContact CZ-CD2 4.28Å; L853-L983 HydrophobicContact CD2-CD1 3.86Å; L853-L983 HydrophobicContact CD2-CD2 4.01Å; I911-L983 HydrophobicContact CD1-CD1 3.99Å; I911-L983 HydrophobicContact CD1-CG 4.47Å; V967-L983 HydrophobicContact CG1-CD1 4.22Å; L968-L983 HydrophobicContact CD2-CB 4.43Å; L971-L983 HydrophobicContact CD1-CD1 3.53Å; E979-L983 WeakPolarHBondContact O-CB 3.44Å; E979-L983 WeakPolarHBondContact O-CG 3.23Å; E979-L983 PolarHBondContact O-N 3.11Å; V980-L983 PolarHBondContact O-N 3.17Å; M981-L983 PolarHBondContact O-N 2.94Å; L983-L986 HydrophobicContact CD2-CD1 3.98Å; L983-L986 WeakPolarHBondContact O-CA 3.36Å; L983-L986 WeakPolarHBondContact O-CB 3.25Å; L983-L986 PolarHBondContact O-N 3.23Å; L983-L986 VanDerWaalsContact O-N 3.07Å; L983-L987 WeakPolarHBondContact O-CG 3.48Å; L983-L987 PolarHBondContact O-N 3.19Å |
| 984 | C | 82.3 | Confident | 68.1 | Low | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -69.2 | -37.2 | 177.9 | -70 | 0 | 0 | 0 | 0 | 112.1 | V980 M981 L986 L987 L988 V1074 C1077 I1078 | V980-C984 VanDerWaalsContact O-CB 3.29Å; V980-C984 WeakPolarHBondContact O-CB 3.48Å; V980-C984 PolarHBondContact O-N 3.26Å; V980-C984 PolarHBondContact O-SG 3.14Å; M981-C984 PolarHBondContact O-N 3.26Å; C984-L986 PolarHBondContact O-N 3.45Å; C984-L987 PolarHBondContact O-N 2.93Å; C984-L988 PolarHBondContact O-N 2.89Å; C984-L988 VanDerWaalsContact O-N 3.16Å; C984-V1074 HydrophobicContact CB-CG1 3.7Å; C984-V1074 WeakPolarHBondContact O-CG1 3.45Å; C984-C1077 WeakPolarHBondContact SG-CB 3.42Å; C984-I1078 HydrophobicContact CB-CD1 3.74Å; C984-I1078 HydrophobicContact CB-CG1 3.37Å |
| 985 | M | 76.9 | Confident | 66.2 | Low | 52 Ų | 52 | 48.4 Ų | 48.4 | 26% | 0.256 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -64.5 | -27.4 | 170.1 | -64.7 | -64.4 | -76.4 | 0 | 0 | 111.3 | R625 N629 M981 K982 L987 L988 I1078 | R625-M985 PolarHBondContact NH1-O 3.31Å; N629-M985 HydrophobicContact CB-CE 4.1Å; N629-M985 WeakPolarHBondContact O-CE 3.23Å; M981-M985 VanDerWaalsContact O-CB 3.3Å; M981-M985 WeakPolarHBondContact O-CB 3.33Å; M981-M985 WeakPolarHBondContact O-CG 3.48Å; M981-M985 PolarHBondContact O-N 2.58Å; K982-M985 PolarHBondContact O-N 3.12Å; M985-L987 PolarHBondContact O-N 3.11Å; M985-L988 HydrophobicContact SD-CD1 3.77Å; M985-I1078 HydrophobicContact SD-CD1 3.92Å |
| 986 | L | 72.4 | Confident | 64.1 | Low | 6 Ų | 6 | 56.1 Ų | 56.1 | 3% | 0.031 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -53.8 | -37.3 | 169.4 | -63.2 | -170.2 | 0 | 0 | 0 | 112.8 | R625 F849 N852 K982 L983 C984 | R625-L986 HydrophobicContact CB-CD2 3.84Å; R625-L986 HydrophobicContact CG-CD2 3.37Å; R625-L986 VanDerWaalsContact CZ-CA 3.47Å; R625-L986 PolarHBondContact NH1-O 3.34Å; R625-L986 PolarHBondContact NH2-O 2.88Å; F849-L986 HydrophobicContact CB-CD1 4.39Å; F849-L986 HydrophobicContact CD2-CB 3.96Å; F849-L986 HydrophobicContact CD2-CD1 3.85Å; F849-L986 HydrophobicContact CG-CD1 4.49Å; N852-L986 HydrophobicContact CB-CD1 3.92Å; K982-L986 WeakPolarHBondContact O-CG 3.5Å; K982-L986 PolarHBondContact O-N 2.7Å; L983-L986 HydrophobicContact CD2-CD1 3.98Å; L983-L986 WeakPolarHBondContact O-CA 3.36Å; L983-L986 WeakPolarHBondContact O-CB 3.25Å; L983-L986 PolarHBondContact O-N 3.23Å; L983-L986 VanDerWaalsContact O-N 3.07Å; C984-L986 PolarHBondContact O-N 3.45Å |
| 987 | L | 75.9 | Confident | 62 | Low | 2 Ų | 2 | 60.2 Ų | 60.2 | 1% | 0.01 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -99 | -18.5 | -167.2 | -57.6 | 164.6 | 0 | 0 | 0 | 113.5 | F849 P956 I964 L983 C984 M985 W1066 W1067 | F849-L987 HydrophobicContact CD2-CD2 3.91Å; F849-L987 HydrophobicContact CD2-CG 4.22Å; F849-L987 HydrophobicContact CE2-CD1 4.06Å; F849-L987 HydrophobicContact CE2-CD2 3.99Å; F849-L987 HydrophobicContact CE2-CG 4.05Å; P956-L987 HydrophobicContact CB-CD2 4.07Å; P956-L987 HydrophobicContact CG-CD2 4.09Å; I964-L987 HydrophobicContact CD1-CD2 4.21Å; I964-L987 HydrophobicContact CG2-CD1 4.2Å; L983-L987 WeakPolarHBondContact O-CG 3.48Å; L983-L987 PolarHBondContact O-N 3.19Å; C984-L987 PolarHBondContact O-N 2.93Å; M985-L987 PolarHBondContact O-N 3.11Å; L987-W1066 HydrophobicContact CD2-CH2 3.64Å; L987-W1066 HydrophobicContact CD2-CZ2 4.04Å; L987-W1066 HydrophobicContact CD2-CZ3 4.48Å; L987-W1067 HydrophobicContact CB-CD2 4.29Å; L987-W1067 HydrophobicContact CB-CE3 3.3Å; L987-W1067 HydrophobicContact CB-CH2 3.96Å; L987-W1067 HydrophobicContact CB-CZ3 3.04Å; L987-W1067 HydrophobicContact CD1-CE3 4.36Å; L987-W1067 HydrophobicContact CD1-CH2 3.52Å; L987-W1067 HydrophobicContact CD1-CZ2 4.39Å; L987-W1067 HydrophobicContact CD1-CZ3 3.54Å; L987-W1067 HydrophobicContact CD2-CE3 4.33Å; L987-W1067 HydrophobicContact CD2-CZ3 4.3Å; L987-W1067 HydrophobicContact CG-CE3 4.19Å; L987-W1067 HydrophobicContact CG-CH2 4.25Å; L987-W1067 HydrophobicContact CG-CZ3 3.78Å |
| 988 | L | 73 | Confident | 59.9 | Low | 17 Ų | 17 | 61 Ų | 61 | 9% | 0.089 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -68.7 | 146.4 | 174.1 | -75.3 | 178.6 | 0 | 0 | 0 | 112.5 | N631 C984 M985 F1071 V1074 H1075 I1078 | N631-L988 PolarHBondContact ND2-O 3Å; C984-L988 PolarHBondContact O-N 2.89Å; C984-L988 VanDerWaalsContact O-N 3.16Å; M985-L988 HydrophobicContact SD-CD1 3.77Å; L988-F1071 HydrophobicContact CD2-CD1 4.18Å; L988-V1074 HydrophobicContact CD2-CB 4.03Å; L988-V1074 HydrophobicContact CD2-CG1 3.8Å; L988-V1074 HydrophobicContact CG-CG1 3.81Å; L988-H1075 WeakPolarHBondContact CD2-NE2 3.38Å; L988-I1078 HydrophobicContact CD1-CD1 3.41Å; L988-I1078 VanDerWaalsContact CD1-CD1 3.41Å; L988-I1078 HydrophobicContact CG-CD1 4.11Å |
| 989 | P | 63.4 | Low | 57.9 | Low | 42 Ų | 42 | 63 Ų | 63 | 27% | 0.273 | 33% | 0.333 | S | S | . | . | P | Polyproline II helix | trans | -64.4 | 142 | 171.6 | 28.7 | -33.7 | 0 | 0 | 0 | 109.9 | T991 W1065 F1071 | P989-T991 PolarHBondContact O-N 3.18Å; P989-W1065 HydrophobicContact CB-CD2 3.86Å; P989-W1065 HydrophobicContact CB-CE3 4.34Å; P989-W1065 HydrophobicContact CB-CG 4.2Å; P989-W1065 HydrophobicContact CB-CZ2 4.48Å; P989-F1071 HydrophobicContact CG-CE1 4.4Å; P989-F1071 HydrophobicContact CG-CZ 4.5Å |
| 990 | P | 57.1 | Low | 55.7 | Low | 26 Ų | 26 | 65.2 Ų | 65.2 | 17% | 0.169 | 35% | 0.352 | C | S | . | . | P | Polyproline II helix | trans | -60.4 | 134.1 | 171.3 | 29.9 | -36.2 | 0 | 0 | 0 | 110 | N631 R992 W1065 | N631-P990 HydrophobicContact CB-CB 4.47Å; N631-P990 WeakPolarHBondContact O-CB 3.48Å; P990-R992 PolarHBondContact O-N 3.14Å; P990-W1065 HydrophobicContact CG-CH2 3.07Å; P990-W1065 HydrophobicContact CG-CZ2 3.28Å; P990-W1065 HydrophobicContact CG-CZ3 3.93Å |
| 991 | T | 49.8 | Very low | 53.3 | Low | 98 Ų | 98 | 67.9 Ų | 67.9 | 60% | 0.601 | 37% | 0.374 | S | S | * | . | P | Polyproline II helix | trans | -60.6 | 119.6 | 173.7 | 49.2 | 0 | 0 | 0 | 0 | 109 | P989 S993 | P989-T991 PolarHBondContact O-N 3.18Å; T991-S993 PolarHBondContact O-N 3.01Å |
| 992 | R | 38.4 | Very low | 51.2 | Low | 219 Ų | 219 | 74.7 Ų | 74.7 | 83% | 0.826 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -67.7 | 81.2 | 169.9 | -82.4 | -172.9 | 175.4 | -174.5 | -0.1 | 108.9 | P990 | P990-R992 PolarHBondContact O-N 3.14Š|
| 993 | S | 35.5 | Very low | 49.2 | Very low | 74 Ų | 74 | 78.8 Ų | 78.8 | 52% | 0.517 | 42% | 0.423 | S | S | . | . | trans | -160.4 | 71.7 | 176.6 | 52.8 | 0 | 0 | 0 | 0 | 112.4 | T991 | T991-S993 PolarHBondContact O-N 3.01Š| ||
| 994 | A | 35.7 | Very low | 47 | Very low | 80 Ų | 80 | 86.9 Ų | 86.9 | 66% | 0.661 | 46% | 0.459 | S | S | * | . | S | Bend | trans | -134.5 | -37.8 | 157.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | V997 G998 | A994-V997 PolarHBondContact O-N 3.46Å; A994-G998 PolarHBondContact O-N 3.03Å |
| 995 | R | 30.6 | Very low | 44.6 | Very low | 194 Ų | 194 | 92.6 Ų | 92.6 | 73% | 0.732 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -71 | -32.1 | -179.4 | -128.1 | 178.5 | -167.3 | 176.2 | 6.5 | 114.3 | N999 | R995-N999 PolarHBondContact O-N 2.95Å |
| 996 | M | 29.5 | Very low | 42.3 | Very low | 165 Ų | 165 | 92.9 Ų | 92.9 | 81% | 0.813 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -75.7 | -31 | 175.5 | -86.3 | -159.4 | 162.8 | 0 | 0 | 113.3 | G998 N999 A1000 | M996-G998 VanDerWaalsContact C-N 3.33Å; M996-N999 PolarHBondContact O-N 3.2Å; M996-A1000 WeakPolarHBondContact O-CB 3.28Å; M996-A1000 PolarHBondContact O-N 2.73Å |
| 997 | V | 33 | Very low | 40.5 | Very low | 97 Ų | 97 | 100 Ų | 100 | 59% | 0.588 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -68 | -37.3 | 174.1 | -176.8 | 0 | 0 | 0 | 0 | 110.5 | A994 N999 A1001 | A994-V997 PolarHBondContact O-N 3.46Å; V997-N999 PolarHBondContact O-N 3.07Å; V997-A1001 WeakPolarHBondContact O-CB 3.47Å; V997-A1001 PolarHBondContact O-N 3.16Å |
| 998 | G | 32.3 | Very low | 38.2 | Very low | 35 Ų | 35 | 107.4 Ų | 107.4 | 36% | 0.361 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -64.2 | -37.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114 | A994 M996 K1002 | A994-G998 PolarHBondContact O-N 3.03Å; M996-G998 VanDerWaalsContact C-N 3.33Å; G998-K1002 WeakPolarHBondContact O-CG 3.24Å; G998-K1002 PolarHBondContact O-N 3.43Å |
| 999 | N | 33.7 | Very low | 36.1 | Very low | 104 Ų | 104 | 113.6 Ų | 113.6 | 56% | 0.556 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -80.3 | -34.9 | 178.3 | -79.4 | -2.8 | 0 | 0 | 0 | 113 | R995 M996 V997 A1001 K1002 Q1003 | R995-N999 PolarHBondContact O-N 2.95Å; M996-N999 PolarHBondContact O-N 3.2Å; V997-N999 PolarHBondContact O-N 3.07Å; N999-A1001 VanDerWaalsContact C-N 3.32Å; N999-K1002 PolarHBondContact O-N 2.88Å; N999-Q1003 PolarHBondContact O-N 3.33Å |
| 1000 | A | 33.1 | Very low | 34.4 | Very low | 52 Ų | 52 | 117.7 Ų | 117.7 | 43% | 0.43 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -64.7 | -38.9 | 170 | 0 | 0 | 0 | 0 | 0 | 111.3 | M996 Q1003 F1004 | M996-A1000 WeakPolarHBondContact O-CB 3.28Å; M996-A1000 PolarHBondContact O-N 2.73Å; A1000-Q1003 PolarHBondContact O-N 2.96Å; A1000-F1004 PolarHBondContact O-N 3.41Å |
| 1001 | A | 33.3 | Very low | 33.1 | Very low | 55 Ų | 55 | 122.9 Ų | 122.9 | 46% | 0.455 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -65.8 | -36.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | V997 N999 V1005 | V997-A1001 WeakPolarHBondContact O-CB 3.47Å; V997-A1001 PolarHBondContact O-N 3.16Å; N999-A1001 VanDerWaalsContact C-N 3.32Å; A1001-V1005 VanDerWaalsContact O-CG2 3.23Å; A1001-V1005 WeakPolarHBondContact O-CG2 3.25Å; A1001-V1005 PolarHBondContact O-N 2.92Å |
| 1002 | K | 34 | Very low | 32.1 | Very low | 165 Ų | 165 | 125 Ų | 125 | 72% | 0.717 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -71.7 | -32.6 | 174 | -80.1 | -178.2 | 177.1 | -178.8 | 0 | 113.2 | G998 N999 V1005 | G998-K1002 WeakPolarHBondContact O-CG 3.24Å; G998-K1002 PolarHBondContact O-N 3.43Å; N999-K1002 PolarHBondContact O-N 2.88Å; K1002-V1005 PolarHBondContact O-N 3.43Å |
| 1003 | Q | 33.9 | Very low | 31.5 | Very low | 169 Ų | 169 | 122.6 Ų | 122.6 | 79% | 0.79 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -72.5 | -32.4 | 175.9 | -122.2 | 172.6 | -6.7 | 0 | 0 | 112.3 | N999 A1000 V1005 G1006 | N999-Q1003 PolarHBondContact O-N 3.33Å; A1000-Q1003 PolarHBondContact O-N 2.96Å; Q1003-V1005 VanDerWaalsContact C-N 3.31Å; Q1003-V1005 PolarHBondContact O-N 2.9Å; Q1003-G1006 PolarHBondContact O-N 3.32Å |
| 1004 | F | 33.5 | Very low | 31.3 | Very low | 172 Ų | 172 | 125.9 Ų | 125.9 | 75% | 0.754 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -76.5 | -13.4 | 174.4 | -97.2 | -82.3 | 0 | 0 | 0 | 114.7 | A1000 G1006 | A1000-F1004 PolarHBondContact O-N 3.41Å; F1004-G1006 VanDerWaalsContact C-N 3.3Å |
| 1005 | V | 31.2 | Very low | 30.9 | Very low | 121 Ų | 121 | 130.9 Ų | 130.9 | 73% | 0.733 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.4 | 3.7 | 175.7 | 175.2 | 0 | 0 | 0 | 0 | 112.1 | A1001 K1002 Q1003 | A1001-V1005 VanDerWaalsContact O-CG2 3.23Å; A1001-V1005 WeakPolarHBondContact O-CG2 3.25Å; A1001-V1005 PolarHBondContact O-N 2.92Å; K1002-V1005 PolarHBondContact O-N 3.43Å; Q1003-V1005 VanDerWaalsContact C-N 3.31Å; Q1003-V1005 PolarHBondContact O-N 2.9Å |
| 1006 | G | 29.9 | Very low | 30.8 | Very low | 57 Ų | 57 | 132.6 Ų | 132.6 | 59% | 0.588 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.7 | -25.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | Q1003 F1004 | Q1003-G1006 PolarHBondContact O-N 3.32Å; F1004-G1006 VanDerWaalsContact C-N 3.3Å |
| 1007 | D | 33.1 | Very low | 30.8 | Very low | 157 Ų | 157 | 130 Ų | 130 | 84% | 0.84 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -127.3 | 11.5 | -164 | -86.4 | -23.9 | 0 | 0 | 0 | 116.8 | N1009 | D1007-N1009 PolarHBondContact O-N 3.42Š|
| 1008 | I | 29.1 | Very low | 30.4 | Very low | 157 Ų | 157 | 134.2 Ų | 134.2 | 81% | 0.805 | 70% | 0.697 | S | S | * | * | trans | -103.5 | 72.5 | 173.6 | -51.3 | -178.8 | 0 | 0 | 0 | 109.7 | ||||
| 1009 | N | 29 | Very low | 30.1 | Very low | 147 Ų | 147 | 140.9 Ų | 140.9 | 79% | 0.786 | 72% | 0.719 | S | S | * | * | trans | -71.3 | 127.9 | 164.2 | -108 | -26.1 | 0 | 0 | 0 | 110 | D1007 | D1007-N1009 PolarHBondContact O-N 3.42Š| ||
| 1010 | N | 27.9 | Very low | 29.8 | Very low | 128 Ų | 128 | 142.3 Ų | 142.3 | 68% | 0.684 | 73% | 0.726 | S | S | * | * | S | Bend | trans | 74.9 | 118.9 | 157.5 | -66.8 | -24.5 | 0 | 0 | 0 | 120.4 | ||
| 1011 | N | 28.8 | Very low | 29.4 | Very low | 135 Ų | 135 | 145.5 Ų | 145.5 | 72% | 0.722 | 74% | 0.735 | S | S | * | * | trans | 95.1 | 108.6 | 142.2 | -62.8 | -17 | 0 | 0 | 0 | 119.5 | ||||
| 1012 | N | 28 | Very low | 29 | Very low | 141 Ų | 141 | 151.1 Ų | 151.1 | 75% | 0.754 | 75% | 0.749 | S | S | * | * | trans | 79.9 | 115.4 | 140 | -65.7 | -16.3 | 0 | 0 | 0 | 120.4 | ||||
| 1013 | Q | 27 | Very low | 28.5 | Very low | 169 Ų | 169 | 147.8 Ų | 147.8 | 79% | 0.79 | 75% | 0.747 | S | S | * | * | trans | 56.9 | 100.8 | 137 | -66.4 | -174.4 | -28.4 | 0 | 0 | 118.3 | ||||
| 1014 | D | 30.5 | Very low | 28 | Very low | 143 Ų | 143 | 142.9 Ų | 142.9 | 77% | 0.765 | 73% | 0.731 | S | S | * | * | 169.3 | 113.5 | 104.8 | -88.8 | -21.6 | 0 | 0 | 0 | 112.3 | R1016 | D1014-R1016 VanDerWaalsContact C-N 3.34Å; D1014-R1016 PolarHBondContact O-N 2.79Å | |||
| 1015 | H | 27.3 | Very low | 27.7 | Very low | 185 Ų | 185 | 140.2 Ų | 140.2 | 86% | 0.856 | 73% | 0.731 | S | S | * | * | trans | -73.8 | 65.9 | -179.2 | -90.6 | -76.4 | 0 | 0 | 0 | 113.5 | ||||
| 1016 | R | 27.9 | Very low | 27.4 | Very low | 230 Ų | 230 | 140.8 Ų | 140.8 | 87% | 0.868 | 73% | 0.73 | S | S | * | * | trans | -126.3 | 4.2 | 173.9 | -87.5 | -170.4 | 176.6 | -178.7 | 0.5 | 117.7 | D1014 | D1014-R1016 VanDerWaalsContact C-N 3.34Å; D1014-R1016 PolarHBondContact O-N 2.79Å | ||
| 1017 | T | 30.2 | Very low | 27.1 | Very low | 110 Ų | 110 | 145 Ų | 145 | 68% | 0.675 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -89.8 | -7.6 | -179.7 | 19.5 | 0 | 0 | 0 | 0 | 116 | Q1019 | T1017-Q1019 PolarHBondContact O-N 3.19Š|
| 1018 | W | 24.9 | Very low | 26.8 | Very low | 186 Ų | 186 | 143 Ų | 143 | 71% | 0.705 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.4 | -18.1 | -177.2 | -81.5 | 89.9 | 0 | 0 | 0 | 115.4 | ||
| 1019 | Q | 25 | Very low | 26.5 | Very low | 176 Ų | 176 | 142.7 Ų | 142.7 | 82% | 0.822 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.2 | -14.4 | -176.8 | -84.6 | -177.6 | -21 | 0 | 0 | 115.2 | T1017 | T1017-Q1019 PolarHBondContact O-N 3.19Š|
| 1020 | L | 27.6 | Very low | 26.5 | Very low | 134 Ų | 134 | 139.2 Ų | 139.2 | 70% | 0.702 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -87.9 | -15.3 | -179.1 | -86.4 | 156.6 | 0 | 0 | 0 | 114.1 | ||
| 1021 | L | 25 | Very low | 26.5 | Very low | 118 Ų | 118 | 140.4 Ų | 140.4 | 62% | 0.618 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.1 | -19.4 | -178.8 | -94.5 | 153.8 | 0 | 0 | 0 | 114.7 | L1027 | L1021-L1027 HydrophobicContact CD2-CD1 4.41Š|
| 1022 | F | 24.8 | Very low | 26.4 | Very low | 174 Ų | 174 | 141 Ų | 141 | 76% | 0.763 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100 | -3.2 | -174.7 | -74.1 | -73.9 | 0 | 0 | 0 | 115.1 | ||
| 1023 | S | 24.6 | Very low | 26.4 | Very low | 95 Ų | 95 | 138.7 Ų | 138.7 | 66% | 0.664 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -111.1 | -1 | -173.5 | -48.1 | 0 | 0 | 0 | 0 | 115 | ||
| 1024 | S | 22.8 | Very low | 26.4 | Very low | 65 Ų | 65 | 133.5 Ų | 133.5 | 46% | 0.455 | 70% | 0.699 | S | S | . | * | trans | -125.8 | 109 | -175.9 | -54.3 | 0 | 0 | 0 | 0 | 110.7 | D1026 | S1024-D1026 PolarHBondContact O-N 3.06Š| ||
| 1025 | P | 26.2 | Very low | 26.2 | Very low | 116 Ų | 116 | 135 Ų | 135 | 75% | 0.753 | 70% | 0.702 | S | S | * | * | G | 310 helix | trans | -70.4 | 9.3 | 176.9 | -13.1 | 28.3 | 0 | 0 | 0 | 114.8 | L1027 | P1025-L1027 VanDerWaalsContact C-N 3.29Å; P1025-L1027 PolarHBondContact O-N 3.28Å |
| 1026 | D | 25 | Very low | 26.1 | Very low | 133 Ų | 133 | 131.8 Ų | 131.8 | 71% | 0.711 | 69% | 0.69 | S | S | * | * | G | 310 helix | trans | -82.9 | 4.6 | -170.3 | -70.4 | -28.7 | 0 | 0 | 0 | 114.9 | S1024 I1028 | S1024-D1026 PolarHBondContact O-N 3.06Å; D1026-I1028 VanDerWaalsContact C-N 3.28Å; D1026-I1028 PolarHBondContact O-N 3.28Å |
| 1027 | L | 23.8 | Very low | 26.3 | Very low | 145 Ų | 145 | 130.2 Ų | 130.2 | 76% | 0.759 | 68% | 0.684 | S | S | * | * | G | 310 helix | trans | -88.9 | 21.3 | 178 | -106.2 | 130.1 | 0 | 0 | 0 | 115 | L1021 P1025 N1029 | L1021-L1027 HydrophobicContact CD2-CD1 4.41Å; P1025-L1027 VanDerWaalsContact C-N 3.29Å; P1025-L1027 PolarHBondContact O-N 3.28Å; L1027-N1029 VanDerWaalsContact C-N 3.32Å |
| 1028 | I | 27 | Very low | 26 | Very low | 117 Ų | 117 | 132.8 Ų | 132.8 | 60% | 0.6 | 69% | 0.689 | S | S | * | * | trans | -98.6 | 68.3 | 158 | -49.8 | 176.4 | 0 | 0 | 0 | 106.8 | D1026 T1030 | D1026-I1028 VanDerWaalsContact C-N 3.28Å; D1026-I1028 PolarHBondContact O-N 3.28Å; I1028-T1030 HydrophobicContact CG2-CG2 3.82Å; I1028-T1030 PolarHBondContact O-N 2.88Å | ||
| 1029 | N | 23.9 | Very low | 26 | Very low | 149 Ų | 149 | 129.3 Ų | 129.3 | 80% | 0.797 | 69% | 0.693 | S | S | * | * | trans | -84.7 | 90.9 | 175.1 | -128.5 | -0.6 | 0 | 0 | 0 | 107.7 | L1027 N1031 | L1027-N1029 VanDerWaalsContact C-N 3.32Å; N1029-N1031 PolarHBondContact O-N 2.79Å; N1029-N1031 VanDerWaalsContact O-N 3.09Å | ||
| 1030 | T | 27.7 | Very low | 26.1 | Very low | 74 Ų | 74 | 128.3 Ų | 128.3 | 45% | 0.454 | 69% | 0.688 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -79.7 | 77.9 | -178.7 | 58.3 | 0 | 0 | 0 | 0 | 110.2 | I1028 D1033 | I1028-T1030 HydrophobicContact CG2-CG2 3.82Å; I1028-T1030 PolarHBondContact O-N 2.88Å; T1030-D1033 VanDerWaalsContact CG2-OD2 3.32Å; T1030-D1033 WeakPolarHBondContact CG2-OD2 3.2Å |
| 1031 | N | 28 | Very low | 25.9 | Very low | 154 Ų | 154 | 128.9 Ų | 128.9 | 82% | 0.824 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.6 | -14.6 | 158.1 | -87.8 | -7.8 | 0 | 0 | 0 | 113 | N1029 | N1029-N1031 PolarHBondContact O-N 2.79Å; N1029-N1031 VanDerWaalsContact O-N 3.09Å |
| 1032 | D | 26.4 | Very low | 26 | Very low | 146 Ų | 146 | 129.3 Ų | 129.3 | 78% | 0.781 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -106.6 | 4.5 | 178.2 | -67.8 | -19.9 | 0 | 0 | 0 | 114.3 | G1034 | D1032-G1034 PolarHBondContact O-N 3.33Š|
| 1033 | D | 28 | Very low | 26 | Very low | 93 Ų | 93 | 127.5 Ų | 127.5 | 50% | 0.497 | 70% | 0.697 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -77.3 | -2.7 | 177.6 | -70.6 | -37.7 | 0 | 0 | 0 | 113.9 | T1030 | T1030-D1033 VanDerWaalsContact CG2-OD2 3.32Å; T1030-D1033 WeakPolarHBondContact CG2-OD2 3.2Å |
| 1034 | G | 26.7 | Very low | 26.1 | Very low | 60 Ų | 60 | 130.7 Ų | 130.7 | 62% | 0.619 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.6 | -28 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | D1032 | D1032-G1034 PolarHBondContact O-N 3.33Š|
| 1035 | E | 26.7 | Very low | 26.4 | Very low | 176 Ų | 176 | 134.5 Ų | 134.5 | 82% | 0.822 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -89.7 | -10.8 | -177 | -70.4 | -169.6 | 163 | 0 | 0 | 113.7 | W1037 | E1035-W1037 VanDerWaalsContact C-N 3.29Å; E1035-W1037 PolarHBondContact O-N 3.34Å |
| 1036 | L | 26.6 | Very low | 26.4 | Very low | 116 Ų | 116 | 135 Ų | 135 | 61% | 0.607 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -76.6 | -9.4 | -170.1 | -137.5 | 101.8 | 0 | 0 | 0 | 115.2 | ||
| 1037 | W | 31.3 | Very low | 26.5 | Very low | 197 Ų | 197 | 137.1 Ų | 137.1 | 75% | 0.746 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -128.5 | -2.7 | -175.2 | -62.7 | 97 | 0 | 0 | 0 | 115.3 | E1035 S1039 | E1035-W1037 VanDerWaalsContact C-N 3.29Å; E1035-W1037 PolarHBondContact O-N 3.34Å; W1037-S1039 VanDerWaalsContact C-N 3.3Å; W1037-S1039 PolarHBondContact O-N 2.92Å |
| 1038 | Q | 24.5 | Very low | 26.6 | Very low | 165 Ų | 165 | 137 Ų | 137 | 77% | 0.771 | 73% | 0.734 | S | S | * | * | trans | -79.7 | -4.5 | 175.3 | -79 | -169.9 | -2.1 | 0 | 0 | 114.3 | Q1040 | Q1038-Q1040 PolarHBondContact O-N 2.89Š| ||
| 1039 | S | 25.2 | Very low | 26.6 | Very low | 112 Ų | 112 | 141.5 Ų | 141.5 | 78% | 0.783 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.6 | 25.6 | 175.6 | 58.6 | 0 | 0 | 0 | 0 | 114.9 | W1037 | W1037-S1039 VanDerWaalsContact C-N 3.3Å; W1037-S1039 PolarHBondContact O-N 2.92Å |
| 1040 | Q | 25.9 | Very low | 26.8 | Very low | 156 Ų | 156 | 142.2 Ų | 142.2 | 73% | 0.729 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.3 | -5.1 | 171.4 | -92.8 | -173.3 | -9.8 | 0 | 0 | 114.6 | Q1038 V1042 | Q1038-Q1040 PolarHBondContact O-N 2.89Å; Q1040-V1042 PolarHBondContact O-N 3.21Å |
| 1041 | N | 24.1 | Very low | 26.8 | Very low | 146 Ų | 146 | 146.1 Ų | 146.1 | 78% | 0.781 | 77% | 0.767 | S | S | * | * | trans | -88.7 | 89.4 | 169.9 | -76.1 | -5.1 | 0 | 0 | 0 | 108.8 | D1043 | N1041-D1043 PolarHBondContact O-N 2.68Š| ||
| 1042 | V | 26.1 | Very low | 26.8 | Very low | 126 Ų | 126 | 146.2 Ų | 146.2 | 76% | 0.764 | 77% | 0.768 | S | S | * | * | trans | -61 | 114.4 | 163.6 | 175.2 | 0 | 0 | 0 | 0 | 106.4 | Q1040 N1044 | Q1040-V1042 PolarHBondContact O-N 3.21Å; V1042-N1044 PolarHBondContact O-N 3.17Å; V1042-N1044 VanDerWaalsContact O-N 3.13Å | ||
| 1043 | D | 26.2 | Very low | 26.8 | Very low | 136 Ų | 136 | 144.4 Ų | 144.4 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | trans | -51.9 | 116.9 | 173.9 | -72.9 | -47.7 | 0 | 0 | 0 | 109.2 | N1041 D1045 | N1041-D1043 PolarHBondContact O-N 2.68Å; D1043-D1045 PolarHBondContact O-N 3.35Å | ||
| 1044 | N | 26.5 | Very low | 26.8 | Very low | 162 Ų | 162 | 147.3 Ų | 147.3 | 87% | 0.866 | 78% | 0.782 | S | S | * | * | trans | -72.7 | 68.9 | 170.1 | -79.2 | -30.6 | 0 | 0 | 0 | 108.8 | V1042 T1046 | V1042-N1044 PolarHBondContact O-N 3.17Å; V1042-N1044 VanDerWaalsContact O-N 3.13Å; N1044-T1046 PolarHBondContact O-N 3.08Å | ||
| 1045 | D | 27.9 | Very low | 26.7 | Very low | 146 Ų | 146 | 151.7 Ų | 151.7 | 78% | 0.781 | 79% | 0.791 | S | S | * | * | trans | -82.8 | 97.3 | 164.7 | -87.7 | -19.2 | 0 | 0 | 0 | 108.6 | D1043 L1047 | D1043-D1045 PolarHBondContact O-N 3.35Å; D1045-L1047 PolarHBondContact O-N 3.06Å | ||
| 1046 | T | 27 | Very low | 26.7 | Very low | 127 Ų | 127 | 151.3 Ų | 151.3 | 78% | 0.779 | 80% | 0.795 | S | S | * | * | trans | -24.8 | 116.7 | 154.1 | 37.9 | 0 | 0 | 0 | 0 | 112.8 | N1044 | N1044-T1046 PolarHBondContact O-N 3.08Š| ||
| 1047 | L | 27.1 | Very low | 26.7 | Very low | 177 Ų | 177 | 153.1 Ų | 153.1 | 93% | 0.927 | 81% | 0.805 | S | S | * | * | trans | -155.7 | 127.7 | 145.2 | -95.8 | 171.9 | 0 | 0 | 0 | 109.2 | D1045 | D1045-L1047 PolarHBondContact O-N 3.06Š| ||
| 1048 | D | 25.8 | Very low | 26.5 | Very low | 143 Ų | 143 | 146.7 Ų | 146.7 | 77% | 0.765 | 80% | 0.799 | S | S | * | * | trans | -56.7 | 145.5 | -174.9 | -76.7 | -54.3 | 0 | 0 | 0 | 114.6 | ||||
| 1049 | Y | 26.3 | Very low | 26.4 | Very low | 211 Ų | 211 | 144.8 Ų | 144.8 | 83% | 0.827 | 81% | 0.805 | S | S | * | * | trans | 15.4 | 114.7 | 147.6 | -74 | -93.2 | 0 | 0 | 0 | 117.8 | ||||
| 1050 | D | 28.1 | Very low | 26.5 | Very low | 163 Ų | 163 | 143.9 Ų | 143.9 | 87% | 0.872 | 80% | 0.798 | S | S | * | * | -161 | 134.5 | 116.3 | -94.5 | -28.9 | 0 | 0 | 0 | 110.6 | D1052 | D1050-D1052 PolarHBondContact O-N 3.26Š| |||
| 1051 | D | 28.1 | Very low | 26.7 | Very low | 156 Ų | 156 | 139.4 Ų | 139.4 | 83% | 0.834 | 79% | 0.794 | S | S | * | * | trans | -52.4 | 122.3 | 170.5 | -84.2 | -46.1 | 0 | 0 | 0 | 110.9 | ||||
| 1052 | D | 27.6 | Very low | 27.3 | Very low | 157 Ų | 157 | 142.4 Ų | 142.4 | 84% | 0.84 | 80% | 0.795 | S | S | * | * | -168.4 | 118.9 | 126 | -98 | -27.5 | 0 | 0 | 0 | 110.6 | D1050 N1054 | D1050-D1052 PolarHBondContact O-N 3.26Å; D1052-N1054 PolarHBondContact O-N 3.46Å; D1052-N1054 VanDerWaalsContact O-N 3.09Å | |||
| 1053 | S | 27 | Very low | 27.9 | Very low | 108 Ų | 108 | 139.9 Ų | 139.9 | 76% | 0.755 | 78% | 0.776 | S | S | * | * | trans | -56.5 | 103 | 177.6 | 52.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1054 | N | 27.2 | Very low | 28.8 | Very low | 153 Ų | 153 | 136.7 Ų | 136.7 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | trans | -174.9 | 77.9 | 149.4 | -103.7 | -21.1 | 0 | 0 | 0 | 111 | D1052 | D1052-N1054 PolarHBondContact O-N 3.46Å; D1052-N1054 VanDerWaalsContact O-N 3.09Å | ||
| 1055 | N | 26 | Very low | 30.1 | Very low | 153 Ų | 153 | 132.2 Ų | 132.2 | 82% | 0.818 | 74% | 0.735 | S | S | * | * | trans | -119.7 | 100.5 | 158.5 | -87.4 | -23.1 | 0 | 0 | 0 | 109.7 | D1057 | N1055-D1057 PolarHBondContact O-N 3.12Š| ||
| 1056 | N | 26 | Very low | 31.8 | Very low | 168 Ų | 168 | 126.1 Ų | 126.1 | 90% | 0.898 | 70% | 0.701 | S | S | * | * | trans | -56.2 | 87.2 | 155.9 | -95.4 | -29.5 | 0 | 0 | 0 | 108.6 | G1058 | N1056-G1058 PolarHBondContact O-N 3Š| ||
| 1057 | D | 27.4 | Very low | 33.4 | Very low | 154 Ų | 154 | 120.2 Ų | 120.2 | 82% | 0.824 | 67% | 0.665 | S | S | * | * | trans | -75.9 | 112 | 167.9 | -89.2 | -20.3 | 0 | 0 | 0 | 109.8 | N1055 S1059 | N1055-D1057 PolarHBondContact O-N 3.12Å; D1057-S1059 PolarHBondContact O-N 3.19Å | ||
| 1058 | G | 25.8 | Very low | 34.7 | Very low | 61 Ų | 61 | 118.6 Ų | 118.6 | 63% | 0.629 | 65% | 0.653 | S | S | * | * | trans | -57.8 | 124.9 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | N1056 S1060 | N1056-G1058 PolarHBondContact O-N 3Å; G1058-S1060 PolarHBondContact O-N 3.32Å | ||
| 1059 | S | 24 | Very low | 36.6 | Very low | 126 Ų | 126 | 116 Ų | 116 | 88% | 0.881 | 63% | 0.634 | S | S | * | * | trans | 27.7 | 59.7 | 134.8 | 69.4 | 0 | 0 | 0 | 0 | 117.5 | D1057 G1061 | D1057-S1059 PolarHBondContact O-N 3.19Å; S1059-G1061 PolarHBondContact O-N 3.02Å | ||
| 1060 | S | 26.4 | Very low | 38.8 | Very low | 92 Ų | 92 | 106 Ų | 106 | 64% | 0.643 | 60% | 0.595 | S | S | * | * | trans | -82.2 | 92.6 | 159.6 | -175.3 | 0 | 0 | 0 | 0 | 108.1 | G1058 R1062 | G1058-S1060 PolarHBondContact O-N 3.32Å; S1060-R1062 PolarHBondContact O-N 3.4Å | ||
| 1061 | G | 30.6 | Very low | 41.3 | Very low | 63 Ų | 63 | 99.1 Ų | 99.1 | 65% | 0.649 | 56% | 0.557 | S | S | * | * | trans | -64.2 | 74.4 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | S1059 I1063 | S1059-G1061 PolarHBondContact O-N 3.02Å; G1061-I1063 PolarHBondContact O-N 3.19Å; G1061-I1063 VanDerWaalsContact O-N 3.17Å | ||
| 1062 | R | 35.8 | Very low | 43.9 | Very low | 209 Ų | 209 | 91.7 Ų | 91.7 | 79% | 0.789 | 52% | 0.518 | S | S | * | . | trans | -71.1 | 101.9 | 170.1 | -72.7 | -174.2 | -177.1 | -172.8 | 1.8 | 107.8 | S1060 S1064 | S1060-R1062 PolarHBondContact O-N 3.4Å; R1062-S1064 PolarHBondContact O-N 3.28Å | ||
| 1063 | I | 38.3 | Very low | 46.6 | Very low | 73 Ų | 73 | 84.2 Ų | 84.2 | 37% | 0.374 | 48% | 0.478 | S | S | . | . | trans | -64.8 | 104.8 | 167.9 | -60.8 | 164 | 0 | 0 | 0 | 106.1 | G1061 W1065 | G1061-I1063 PolarHBondContact O-N 3.19Å; G1061-I1063 VanDerWaalsContact O-N 3.17Å; I1063-W1065 HydrophobicContact CG2-CZ2 4.4Å; I1063-W1065 PolarHBondContact O-N 3.16Å | ||
| 1064 | S | 45.4 | Very low | 49.4 | Very low | 69 Ų | 69 | 79.1 Ų | 79.1 | 48% | 0.483 | 44% | 0.442 | S | S | . | . | trans | -65.9 | 105 | 168.5 | 48.9 | 0 | 0 | 0 | 0 | 107.8 | R1062 | R1062-S1064 PolarHBondContact O-N 3.28Š| ||
| 1065 | W | 54.4 | Low | 52.3 | Low | 68 Ų | 68 | 72.8 Ų | 72.8 | 26% | 0.258 | 41% | 0.407 | S | S | . | . | trans | -64.1 | 141.2 | 173.9 | -82.9 | 97.5 | 0 | 0 | 0 | 109.5 | P989 P990 I1063 W1067 E1068 | P989-W1065 HydrophobicContact CB-CD2 3.86Å; P989-W1065 HydrophobicContact CB-CE3 4.34Å; P989-W1065 HydrophobicContact CB-CG 4.2Å; P989-W1065 HydrophobicContact CB-CZ2 4.48Å; P990-W1065 HydrophobicContact CG-CH2 3.07Å; P990-W1065 HydrophobicContact CG-CZ2 3.28Å; P990-W1065 HydrophobicContact CG-CZ3 3.93Å; I1063-W1065 HydrophobicContact CG2-CZ2 4.4Å; I1063-W1065 PolarHBondContact O-N 3.16Å; W1065-W1067 VanDerWaalsContact C-N 3.26Å; W1065-W1067 PolarHBondContact O-N 3.22Å; W1065-E1068 WeakPolarHBondContact O-CG 3.3Å | ||
| 1066 | W | 62.7 | Low | 55.3 | Low | 17 Ų | 17 | 65.5 Ų | 65.5 | 6% | 0.064 | 37% | 0.369 | C | S | . | . | S | Bend | trans | -69.4 | -19 | -171.4 | 64.4 | -78.7 | 0 | 0 | 0 | 115.2 | S842 Q845 S846 F849 P956 T957 L987 | S842-W1066 VanDerWaalsContact CB-CB 3.41Å; S842-W1066 WeakPolarHBondContact OG-CB 3.43Å; Q845-W1066 HydrophobicContact CB-CD2 4.09Å; Q845-W1066 HydrophobicContact CB-CG 4.38Å; Q845-W1066 HydrophobicContact CB-CH2 4.47Å; Q845-W1066 HydrophobicContact CB-CZ2 3.89Å; S846-W1066 VanDerWaalsContact CA-CZ3 3.49Å; F849-W1066 HydrophobicContact CB-CH2 4.38Å; P956-W1066 HydrophobicContact CB-CE3 4Å; P956-W1066 HydrophobicContact CB-CH2 3.84Å; P956-W1066 HydrophobicContact CB-CZ3 3.24Å; P956-W1066 HydrophobicContact CG-CE3 4.41Å; P956-W1066 HydrophobicContact CG-CH2 3.64Å; P956-W1066 HydrophobicContact CG-CZ3 3.28Å; T957-W1066 HydrophobicContact CG2-CE3 4.1Å; L987-W1066 HydrophobicContact CD2-CH2 3.64Å; L987-W1066 HydrophobicContact CD2-CZ2 4.04Å; L987-W1066 HydrophobicContact CD2-CZ3 4.48Å |
| 1067 | W | 60.8 | Low | 58.3 | Low | 4 Ų | 4 | 57.5 Ų | 57.5 | 2% | 0.015 | 33% | 0.326 | C | S | . | . | trans | -108.9 | 109.3 | 168.3 | -171.6 | 29.9 | 0 | 0 | 0 | 109.7 | L987 W1065 F1071 F1073 V1074 L1133 | L987-W1067 HydrophobicContact CB-CD2 4.29Å; L987-W1067 HydrophobicContact CB-CE3 3.3Å; L987-W1067 HydrophobicContact CB-CH2 3.96Å; L987-W1067 HydrophobicContact CB-CZ3 3.04Å; L987-W1067 HydrophobicContact CD1-CE3 4.36Å; L987-W1067 HydrophobicContact CD1-CH2 3.52Å; L987-W1067 HydrophobicContact CD1-CZ2 4.39Å; L987-W1067 HydrophobicContact CD1-CZ3 3.54Å; L987-W1067 HydrophobicContact CD2-CE3 4.33Å; L987-W1067 HydrophobicContact CD2-CZ3 4.3Å; L987-W1067 HydrophobicContact CG-CE3 4.19Å; L987-W1067 HydrophobicContact CG-CH2 4.25Å; L987-W1067 HydrophobicContact CG-CZ3 3.78Å; W1065-W1067 VanDerWaalsContact C-N 3.26Å; W1065-W1067 PolarHBondContact O-N 3.22Å; W1067-F1071 HydrophobicContact CE3-CE1 4.21Å; W1067-F1071 WeakPolarHBondContact O-CZ 3.42Å; W1067-F1073 HydrophobicContact CH2-CD1 4.28Å; W1067-F1073 HydrophobicContact CZ2-CD1 4.41Å; W1067-V1074 HydrophobicContact CE3-CG2 3.86Å; W1067-V1074 HydrophobicContact CH2-CB 4.36Å; W1067-V1074 HydrophobicContact CH2-CG1 4.47Å; W1067-V1074 HydrophobicContact CH2-CG2 3.21Å; W1067-V1074 HydrophobicContact CZ2-CG2 4.22Å; W1067-V1074 HydrophobicContact CZ3-CB 4.05Å; W1067-V1074 HydrophobicContact CZ3-CG1 3.95Å; W1067-V1074 HydrophobicContact CZ3-CG2 2.94Å; W1067-L1133 HydrophobicContact CZ2-CD1 3.95Å | ||
| 1068 | E | 55.5 | Low | 61.2 | Low | 143 Ų | 143 | 50.3 Ų | 50.3 | 67% | 0.668 | 29% | 0.287 | S | S | * | . | trans | -98.2 | -6.7 | -170 | -76.7 | -175 | 149.4 | 0 | 0 | 115.2 | W1065 | W1065-E1068 WeakPolarHBondContact O-CG 3.3Š| ||
| 1069 | K | 64.9 | Low | 64.1 | Low | 88 Ų | 88 | 47.4 Ų | 47.4 | 38% | 0.383 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -104.1 | -53.9 | -155.4 | -61.9 | -163.2 | -175 | -179.5 | 0 | 117.9 | Y1105 | K1069-Y1105 VanDerWaalsContact C-OH 3.29Å; K1069-Y1105 WeakPolarHBondContact O-CE1 3.4Å; K1069-Y1105 PolarHBondContact O-OH 2.91Å |
| 1070 | D | 73.7 | Confident | 67.2 | Low | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | trans | -145.4 | 80.6 | -168.6 | -167.1 | -10.3 | 0 | 0 | 0 | 113.9 | S1072 F1073 V1074 L1132 L1133 I1134 | D1070-S1072 PolarHBondContact O-N 3.3Å; D1070-S1072 WeakPolarHBondContact OD1-CA 3.39Å; D1070-S1072 WeakPolarHBondContact OD1-CB 3.31Å; D1070-S1072 PolarHBondContact OD1-N 3.1Å; D1070-S1072 VanDerWaalsContact OD1-N 3.08Å; D1070-S1072 PolarHBondContact OD1-OG 3.03Å; D1070-F1073 HydrophobicContact CB-CB 4.14Å; D1070-F1073 WeakPolarHBondContact O-CB 3.44Å; D1070-F1073 PolarHBondContact O-N 3.43Å; D1070-F1073 PolarHBondContact OD1-N 3.34Å; D1070-V1074 WeakPolarHBondContact O-CG2 3.5Å; D1070-L1132 WeakPolarHBondContact OD2-CA 3.5Å; D1070-L1133 HydrophobicContact CB-CB 4.19Å; D1070-L1133 HydrophobicContact CB-CD1 4.26Å; D1070-L1133 HydrophobicContact CB-CG 4.1Å; D1070-L1133 PolarHBondContact OD2-N 3.05Å; D1070-I1134 PolarHBondContact OD2-N 3.41Å | ||
| 1071 | F | 80.5 | Confident | 70.2 | Confident | 19 Ų | 19 | 37 Ų | 37 | 8% | 0.083 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65.8 | -22.5 | 173 | -67 | -60 | 0 | 0 | 0 | 113.6 | L988 P989 W1067 F1073 V1074 H1075 W1101 Y1105 | L988-F1071 HydrophobicContact CD2-CD1 4.18Å; P989-F1071 HydrophobicContact CG-CE1 4.4Å; P989-F1071 HydrophobicContact CG-CZ 4.5Å; W1067-F1071 HydrophobicContact CE3-CE1 4.21Å; W1067-F1071 WeakPolarHBondContact O-CZ 3.42Å; F1071-F1073 VanDerWaalsContact C-N 3.32Å; F1071-F1073 PolarHBondContact O-N 2.97Å; F1071-V1074 HydrophobicContact CD1-CG2 4.28Å; F1071-V1074 PolarHBondContact O-N 3.11Å; F1071-H1075 PolarHBondContact O-CD2 3.16Å; F1071-H1075 VanDerWaalsContact O-CD2 3.31Å; F1071-H1075 PolarHBondContact O-N 2.82Å; F1071-H1075 VanDerWaalsContact O-N 3.14Å; F1071-W1101 HydrophobicContact CB-CB 4.49Å; F1071-W1101 HydrophobicContact CB-CD2 3.7Å; F1071-W1101 HydrophobicContact CB-CE3 4.14Å; F1071-W1101 HydrophobicContact CB-CG 3.84Å; F1071-W1101 HydrophobicContact CB-CZ2 4.42Å; F1071-W1101 HydrophobicContact CD2-CD2 4.38Å; F1071-W1101 HydrophobicContact CD2-CE3 4.11Å; F1071-W1101 AromaticContact CD2-CH2 3.93Å; F1071-W1101 HydrophobicContact CD2-CH2 3.93Å; F1071-W1101 HydrophobicContact CD2-CZ2 4.19Å; F1071-W1101 AromaticContact CD2-CZ3 3.88Å; F1071-W1101 HydrophobicContact CD2-CZ3 3.88Å; F1071-W1101 HydrophobicContact CG-CD2 4.44Å; F1071-W1101 HydrophobicContact CG-CZ2 4.44Å; F1071-Y1105 PolarHBondContact N-OH 2.77Å |
| 1072 | S | 82 | Confident | 72.8 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -65.8 | -38.6 | 176.8 | 70.9 | 0 | 0 | 0 | 0 | 111.1 | D1070 V1074 L1076 A1098 I1134 | D1070-S1072 PolarHBondContact O-N 3.3Å; D1070-S1072 WeakPolarHBondContact OD1-CA 3.39Å; D1070-S1072 WeakPolarHBondContact OD1-CB 3.31Å; D1070-S1072 PolarHBondContact OD1-N 3.1Å; D1070-S1072 VanDerWaalsContact OD1-N 3.08Å; D1070-S1072 PolarHBondContact OD1-OG 3.03Å; S1072-V1074 PolarHBondContact O-N 3.42Å; S1072-L1076 VanDerWaalsContact O-CB 3.29Å; S1072-L1076 WeakPolarHBondContact O-CB 3.41Å; S1072-L1076 PolarHBondContact O-N 3.26Å; S1072-A1098 VanDerWaalsContact CB-O 3.28Å; S1072-A1098 WeakPolarHBondContact CB-O 3.48Å; S1072-A1098 WeakPolarHBondContact O-CB 3.17Å; S1072-I1134 WeakPolarHBondContact OG-CD1 3.24Å |
| 1073 | F | 85.1 | Confident | 75.2 | Confident | 1 Ų | 1 | 25.7 Ų | 25.7 | 0% | 0.004 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -62.5 | -40.2 | 173.9 | 173.2 | -106.1 | 0 | 0 | 0 | 113.4 | V965 L968 W1067 D1070 F1071 L1076 C1077 L1133 I1134 L1137 | V965-F1073 HydrophobicContact CG1-CZ 4.4Å; V965-F1073 HydrophobicContact CG2-CZ 4.26Å; L968-F1073 HydrophobicContact CB-CZ 4.38Å; L968-F1073 HydrophobicContact CD1-CE1 3.42Å; L968-F1073 VanDerWaalsContact CD1-CE1 3.42Å; L968-F1073 HydrophobicContact CD1-CZ 3.74Å; W1067-F1073 HydrophobicContact CH2-CD1 4.28Å; W1067-F1073 HydrophobicContact CZ2-CD1 4.41Å; D1070-F1073 HydrophobicContact CB-CB 4.14Å; D1070-F1073 WeakPolarHBondContact O-CB 3.44Å; D1070-F1073 PolarHBondContact O-N 3.43Å; D1070-F1073 PolarHBondContact OD1-N 3.34Å; F1071-F1073 VanDerWaalsContact C-N 3.32Å; F1071-F1073 PolarHBondContact O-N 2.97Å; F1073-L1076 WeakPolarHBondContact O-CB 3.48Å; F1073-L1076 PolarHBondContact O-N 3.22Å; F1073-C1077 PolarHBondContact O-N 3.24Å; F1073-C1077 PolarHBondContact O-SG 2.8Å; F1073-L1133 HydrophobicContact CB-CB 4.23Å; F1073-L1133 HydrophobicContact CD1-CB 4.26Å; F1073-L1133 HydrophobicContact CD1-CD1 4.27Å; F1073-L1133 HydrophobicContact CD2-CB 4.25Å; F1073-L1133 HydrophobicContact CG-CB 4.01Å; F1073-I1134 HydrophobicContact CB-CG1 3.76Å; F1073-I1134 HydrophobicContact CD2-CG1 4.29Å; F1073-L1137 HydrophobicContact CE2-CB 3.99Å; F1073-L1137 HydrophobicContact CE2-CD2 3.58Å; F1073-L1137 HydrophobicContact CE2-CG 4.34Å; F1073-L1137 HydrophobicContact CZ-CD2 4.24Å |
| 1074 | V | 85.4 | Confident | 77.5 | Confident | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -66.5 | -50.6 | -178.7 | -158.9 | 0 | 0 | 0 | 0 | 111 | C984 L988 W1067 D1070 F1071 S1072 L1076 C1077 I1078 | C984-V1074 HydrophobicContact CB-CG1 3.7Å; C984-V1074 WeakPolarHBondContact O-CG1 3.45Å; L988-V1074 HydrophobicContact CD2-CB 4.03Å; L988-V1074 HydrophobicContact CD2-CG1 3.8Å; L988-V1074 HydrophobicContact CG-CG1 3.81Å; W1067-V1074 HydrophobicContact CE3-CG2 3.86Å; W1067-V1074 HydrophobicContact CH2-CB 4.36Å; W1067-V1074 HydrophobicContact CH2-CG1 4.47Å; W1067-V1074 HydrophobicContact CH2-CG2 3.21Å; W1067-V1074 HydrophobicContact CZ2-CG2 4.22Å; W1067-V1074 HydrophobicContact CZ3-CB 4.05Å; W1067-V1074 HydrophobicContact CZ3-CG1 3.95Å; W1067-V1074 HydrophobicContact CZ3-CG2 2.94Å; D1070-V1074 WeakPolarHBondContact O-CG2 3.5Å; F1071-V1074 HydrophobicContact CD1-CG2 4.28Å; F1071-V1074 PolarHBondContact O-N 3.11Å; S1072-V1074 PolarHBondContact O-N 3.42Å; V1074-L1076 VanDerWaalsContact C-N 3.26Å; V1074-L1076 PolarHBondContact O-N 3.19Å; V1074-C1077 PolarHBondContact O-N 3.42Å; V1074-I1078 HydrophobicContact CG1-CD1 4.03Å; V1074-I1078 VanDerWaalsContact O-CG1 3.32Å; V1074-I1078 WeakPolarHBondContact O-CG1 3.29Å; V1074-I1078 PolarHBondContact O-N 3.42Å |
| 1075 | H | 87.8 | Confident | 79.2 | Confident | 20 Ų | 20 | 22.7 Ų | 22.7 | 9% | 0.093 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -66.9 | -32 | -179.9 | -77.9 | -60.9 | 0 | 0 | 0 | 111.5 | L988 F1071 G1079 H1094 A1098 W1101 | L988-H1075 WeakPolarHBondContact CD2-NE2 3.38Å; F1071-H1075 PolarHBondContact O-CD2 3.16Å; F1071-H1075 VanDerWaalsContact O-CD2 3.31Å; F1071-H1075 PolarHBondContact O-N 2.82Å; F1071-H1075 VanDerWaalsContact O-N 3.14Å; H1075-G1079 PolarHBondContact O-N 2.96Å; H1075-H1094 AromaticContact CE1-ND1 3.95Å; H1075-H1094 AromaticContact ND1-CE1 3.98Å; H1075-H1094 AromaticContact ND1-ND1 3.26Å; H1075-H1094 PolarHBondContact ND1-ND1 3.19Å; H1075-A1098 HydrophobicContact CB-CB 3.68Å; H1075-W1101 AromaticContact CD2-CD1 3.56Å; H1075-W1101 AromaticContact CD2-NE1 3.67Å; H1075-W1101 AromaticContact NE2-NE1 3.65Å |
| 1076 | L | 89.7 | Confident | 80.4 | Confident | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -61 | -49.7 | 169.3 | 175.7 | 61.2 | 0 | 0 | 0 | 111.7 | S1072 F1073 V1074 I1078 G1079 L1080 F1095 I1134 F1138 F1142 F1178 L1182 | S1072-L1076 VanDerWaalsContact O-CB 3.29Å; S1072-L1076 WeakPolarHBondContact O-CB 3.41Å; S1072-L1076 PolarHBondContact O-N 3.26Å; F1073-L1076 WeakPolarHBondContact O-CB 3.48Å; F1073-L1076 PolarHBondContact O-N 3.22Å; V1074-L1076 VanDerWaalsContact C-N 3.26Å; V1074-L1076 PolarHBondContact O-N 3.19Å; L1076-I1078 PolarHBondContact O-N 3.35Å; L1076-G1079 PolarHBondContact O-N 3.38Å; L1076-L1080 HydrophobicContact CD1-CD1 4.42Å; L1076-L1080 HydrophobicContact CD1-CG 4.45Å; L1076-L1080 HydrophobicContact CG-CD1 4.48Å; L1076-L1080 WeakPolarHBondContact O-CG 3.37Å; L1076-L1080 PolarHBondContact O-N 3.07Å; L1076-F1095 HydrophobicContact CD1-CD1 4.24Å; L1076-F1095 HydrophobicContact CD1-CE1 3.95Å; L1076-I1134 HydrophobicContact CD2-CD1 4.33Å; L1076-I1134 HydrophobicContact CD2-CG1 4.36Å; L1076-I1134 HydrophobicContact CD2-CG2 4.26Å; L1076-F1138 HydrophobicContact CD2-CD2 4.01Å; L1076-F1138 HydrophobicContact CD2-CE2 3.45Å; L1076-F1138 VanDerWaalsContact CD2-CE2 3.45Å; L1076-F1138 HydrophobicContact CD2-CZ 4.22Å; L1076-F1138 HydrophobicContact CG-CE2 4.32Å; L1076-F1142 HydrophobicContact CD2-CE2 4.33Å; L1076-F1178 HydrophobicContact CB-CZ 4.45Å; L1076-F1178 HydrophobicContact CD1-CZ 4.16Å; L1076-F1178 HydrophobicContact CD2-CE2 4.23Å; L1076-F1178 HydrophobicContact CD2-CZ 4.38Å; L1076-L1182 HydrophobicContact CD1-CD1 4.23Å; L1076-L1182 HydrophobicContact CD1-CD2 3.45Å; L1076-L1182 VanDerWaalsContact CD1-CD2 3.45Å; L1076-L1182 HydrophobicContact CD1-CG 4.46Å |
| 1077 | C | 88.5 | Confident | 81.4 | Confident | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -62.6 | -41.5 | 178.6 | -66.7 | 0 | 0 | 0 | 0 | 112.3 | V980 C984 F1073 V1074 L1080 A1081 | V980-C1077 HydrophobicContact CG1-CB 4.02Å; C984-C1077 WeakPolarHBondContact SG-CB 3.42Å; F1073-C1077 PolarHBondContact O-N 3.24Å; F1073-C1077 PolarHBondContact O-SG 2.8Å; V1074-C1077 PolarHBondContact O-N 3.42Å; C1077-L1080 PolarHBondContact O-N 3.1Å; C1077-A1081 WeakPolarHBondContact O-CB 3.42Å; C1077-A1081 PolarHBondContact O-N 2.93Å |
| 1078 | I | 87.2 | Confident | 82.6 | Confident | 3 Ų | 3 | 25.4 Ų | 25.4 | 2% | 0.015 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -65 | -43.9 | 175.8 | -65.5 | 165.6 | 0 | 0 | 0 | 110.5 | C984 M985 L988 V1074 L1076 L1080 A1081 K1082 | C984-I1078 HydrophobicContact CB-CD1 3.74Å; C984-I1078 HydrophobicContact CB-CG1 3.37Å; M985-I1078 HydrophobicContact SD-CD1 3.92Å; L988-I1078 HydrophobicContact CD1-CD1 3.41Å; L988-I1078 VanDerWaalsContact CD1-CD1 3.41Å; L988-I1078 HydrophobicContact CG-CD1 4.11Å; V1074-I1078 HydrophobicContact CG1-CD1 4.03Å; V1074-I1078 VanDerWaalsContact O-CG1 3.32Å; V1074-I1078 WeakPolarHBondContact O-CG1 3.29Å; V1074-I1078 PolarHBondContact O-N 3.42Å; L1076-I1078 PolarHBondContact O-N 3.35Å; I1078-L1080 PolarHBondContact O-N 3.15Å; I1078-A1081 PolarHBondContact O-N 2.72Å; I1078-K1082 HydrophobicContact CG2-CG 4.2Å; I1078-K1082 WeakPolarHBondContact O-CB 3.3Å; I1078-K1082 WeakPolarHBondContact O-CG 3.33Å; I1078-K1082 PolarHBondContact O-N 2.7Å |
| 1079 | G | 88 | Confident | 84 | Confident | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -59.7 | -44.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | H1075 L1076 K1082 L1083 A1091 F1095 | H1075-G1079 PolarHBondContact O-N 2.96Å; L1076-G1079 PolarHBondContact O-N 3.38Å; G1079-K1082 PolarHBondContact O-N 2.77Å; G1079-L1083 WeakPolarHBondContact O-CB 3.23Å; G1079-L1083 PolarHBondContact O-N 3.29Å; G1079-A1091 VanDerWaalsContact O-CB 3.25Å; G1079-A1091 WeakPolarHBondContact O-CB 3.31Å; G1079-F1095 VanDerWaalsContact C-CZ 3.4Å |
| 1080 | L | 89.5 | Confident | 84.9 | Confident | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -61.2 | -46.5 | 174.4 | -72 | 173 | 0 | 0 | 0 | 111.9 | L877 L972 L1076 C1077 I1078 K1082 L1083 W1084 F1095 F1138 I1185 | L877-L1080 HydrophobicContact CD1-CD1 4Å; L877-L1080 HydrophobicContact CD1-CD2 4.07Å; L972-L1080 HydrophobicContact CD2-CB 4.38Å; L972-L1080 HydrophobicContact CD2-CD1 4.38Å; L1076-L1080 HydrophobicContact CD1-CD1 4.42Å; L1076-L1080 HydrophobicContact CD1-CG 4.45Å; L1076-L1080 HydrophobicContact CG-CD1 4.48Å; L1076-L1080 WeakPolarHBondContact O-CG 3.37Å; L1076-L1080 PolarHBondContact O-N 3.07Å; C1077-L1080 PolarHBondContact O-N 3.1Å; I1078-L1080 PolarHBondContact O-N 3.15Å; L1080-K1082 VanDerWaalsContact C-N 3.35Å; L1080-K1082 PolarHBondContact O-N 3.01Å; L1080-L1083 WeakPolarHBondContact O-CB 3.36Å; L1080-L1083 PolarHBondContact O-N 3.29Å; L1080-W1084 HydrophobicContact CB-CH2 4.3Å; L1080-W1084 HydrophobicContact CB-CZ2 3.99Å; L1080-W1084 HydrophobicContact CD2-CZ2 4.36Å; L1080-W1084 VanDerWaalsContact O-CD2 3.25Å; L1080-W1084 PolarHBondContact O-N 3.17Å; L1080-F1095 HydrophobicContact CD2-CZ 4.23Å; L1080-F1095 HydrophobicContact CG-CE1 4.36Å; L1080-F1095 HydrophobicContact CG-CZ 4.39Å; L1080-F1138 HydrophobicContact CD1-CZ 4.19Å; L1080-I1185 HydrophobicContact CD2-CD1 3.78Å |
| 1081 | A | 87.7 | Confident | 85.6 | Confident | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -65.2 | -37.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | S977 V980 M981 C1077 I1078 W1084 S1085 | S977-A1081 VanDerWaalsContact CB-O 3.28Å; S977-A1081 WeakPolarHBondContact CB-O 3.29Å; S977-A1081 WeakPolarHBondContact O-CB 3.34Å; V980-A1081 HydrophobicContact CB-CB 4.16Å; V980-A1081 HydrophobicContact CG1-CB 4.06Å; M981-A1081 HydrophobicContact CG-CB 3.54Å; M981-A1081 HydrophobicContact SD-CB 4.32Å; C1077-A1081 WeakPolarHBondContact O-CB 3.42Å; C1077-A1081 PolarHBondContact O-N 2.93Å; I1078-A1081 PolarHBondContact O-N 2.72Å; A1081-W1084 PolarHBondContact O-N 3.21Å; A1081-S1085 WeakPolarHBondContact O-CB 3.39Å; A1081-S1085 PolarHBondContact O-N 3.01Å; A1081-S1085 VanDerWaalsContact O-N 3.12Å; A1081-S1085 PolarHBondContact O-OG 2.99Å |
| 1082 | K | 85.6 | Confident | 86.1 | Confident | 30 Ų | 30 | 19 Ų | 19 | 13% | 0.13 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -66.6 | -40 | 174.3 | -77.7 | -72.1 | -175.9 | 174.9 | 0 | 112.1 | M981 I1078 G1079 L1080 W1084 S1085 G1086 E1087 A1091 | M981-K1082 HydrophobicContact SD-CD 3.62Å; M981-K1082 WeakPolarHBondContact SD-CE 3.35Å; M981-K1082 HydrophobicContact SD-CG 3.81Å; I1078-K1082 HydrophobicContact CG2-CG 4.2Å; I1078-K1082 WeakPolarHBondContact O-CB 3.3Å; I1078-K1082 WeakPolarHBondContact O-CG 3.33Å; I1078-K1082 PolarHBondContact O-N 2.7Å; G1079-K1082 PolarHBondContact O-N 2.77Å; L1080-K1082 VanDerWaalsContact C-N 3.35Å; L1080-K1082 PolarHBondContact O-N 3.01Å; K1082-W1084 PolarHBondContact O-N 2.72Å; K1082-S1085 PolarHBondContact O-N 3.11Å; K1082-S1085 VanDerWaalsContact O-N 3.15Å; K1082-G1086 PolarHBondContact O-N 3.33Å; K1082-E1087 HydrophobicContact CD-CB 4.21Å; K1082-E1087 HydrophobicContact CD-CG 4.5Å; K1082-E1087 VanDerWaalsContact CD-OE2 3.29Å; K1082-E1087 WeakPolarHBondContact CD-OE2 3.26Å; K1082-E1087 WeakPolarHBondContact CE-OE2 3.42Å; K1082-E1087 IonicContact NZ-OE1 3.7Å; K1082-E1087 PolarHBondContact NZ-OE1 2.98Å; K1082-E1087 IonicContact NZ-OE2 2.73Å; K1082-E1087 PolarHBondContact NZ-OE2 3.01Å; K1082-E1087 PolarHBondContact O-N 3.03Å; K1082-A1091 HydrophobicContact CB-CB 4.15Å |
| 1083 | L | 87.4 | Confident | 86.3 | Confident | 5 Ų | 5 | 24.3 Ų | 24.3 | 3% | 0.026 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -58.5 | -48.6 | 173.9 | -177.7 | 66.4 | 0 | 0 | 0 | 111.2 | G1079 L1080 S1085 G1086 A1091 I1185 F1186 Y1191 | G1079-L1083 WeakPolarHBondContact O-CB 3.23Å; G1079-L1083 PolarHBondContact O-N 3.29Å; L1080-L1083 WeakPolarHBondContact O-CB 3.36Å; L1080-L1083 PolarHBondContact O-N 3.29Å; L1083-S1085 PolarHBondContact O-N 3.39Å; L1083-G1086 PolarHBondContact O-N 2.99Å; L1083-A1091 HydrophobicContact CB-CB 3.96Å; L1083-I1185 HydrophobicContact CD2-CG2 3.47Å; L1083-I1185 VanDerWaalsContact CD2-CG2 3.47Å; L1083-F1186 HydrophobicContact CD1-CD1 3.75Å; L1083-F1186 HydrophobicContact CD1-CE1 3.56Å; L1083-F1186 HydrophobicContact CD1-CZ 4.47Å; L1083-Y1191 HydrophobicContact CD1-CD2 3.66Å; L1083-Y1191 HydrophobicContact CD1-CE2 3.56Å |
| 1084 | W | 85.1 | Confident | 86.5 | Confident | 30 Ų | 30 | 26.4 Ų | 26.4 | 11% | 0.114 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -70.3 | -16.4 | 179.7 | -52.9 | -24.9 | 0 | 0 | 0 | 113.7 | I870 H873 L874 L972 L1080 A1081 K1082 G1086 | I870-W1084 HydrophobicContact CD1-CB 4.33Å; I870-W1084 HydrophobicContact CD1-CD2 4.2Å; I870-W1084 HydrophobicContact CD1-CE3 4.34Å; I870-W1084 HydrophobicContact CD1-CG 4.19Å; I870-W1084 HydrophobicContact CG1-CB 4.34Å; I870-W1084 HydrophobicContact CG1-CD2 3.77Å; I870-W1084 HydrophobicContact CG1-CE3 4.3Å; I870-W1084 HydrophobicContact CG1-CG 3.76Å; I870-W1084 HydrophobicContact CG2-CD2 4.28Å; I870-W1084 HydrophobicContact CG2-CE3 4.35Å; I870-W1084 HydrophobicContact CG2-CH2 3.83Å; I870-W1084 HydrophobicContact CG2-CZ2 3.78Å; I870-W1084 HydrophobicContact CG2-CZ3 4.13Å; H873-W1084 AromaticContact ND1-CD1 3.62Å; H873-W1084 AromaticContact ND1-NE1 3.24Å; H873-W1084 PolarHBondContact ND1-NE1 2.7Å; L874-W1084 HydrophobicContact CD1-CH2 4.39Å; L874-W1084 HydrophobicContact CD2-CH2 4.02Å; L874-W1084 HydrophobicContact CD2-CZ2 4Å; L874-W1084 HydrophobicContact CG-CH2 4.38Å; L874-W1084 HydrophobicContact CG-CZ2 4.22Å; L972-W1084 HydrophobicContact CB-CH2 4.04Å; L972-W1084 HydrophobicContact CB-CZ3 4.43Å; L972-W1084 HydrophobicContact CD2-CH2 3.42Å; L972-W1084 VanDerWaalsContact CD2-CH2 3.42Å; L972-W1084 HydrophobicContact CD2-CZ2 4.49Å; L972-W1084 HydrophobicContact CD2-CZ3 3.57Å; L972-W1084 HydrophobicContact CG-CH2 4.34Å; L1080-W1084 HydrophobicContact CB-CH2 4.3Å; L1080-W1084 HydrophobicContact CB-CZ2 3.99Å; L1080-W1084 HydrophobicContact CD2-CZ2 4.36Å; L1080-W1084 VanDerWaalsContact O-CD2 3.25Å; L1080-W1084 PolarHBondContact O-N 3.17Å; A1081-W1084 PolarHBondContact O-N 3.21Å; K1082-W1084 PolarHBondContact O-N 2.72Å; W1084-G1086 VanDerWaalsContact C-N 3.31Å |
| 1085 | S | 81 | Confident | 86.8 | Confident | 49 Ų | 49 | 26.4 Ų | 26.4 | 34% | 0.343 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -1.8 | 172.9 | -52.6 | 0 | 0 | 0 | 0 | 112.7 | S977 A1081 K1082 L1083 | S977-S1085 WeakPolarHBondContact CB-OG 3.35Å; S977-S1085 PolarHBondContact OG-OG 3.3Å; S977-S1085 VanDerWaalsContact OG-OG 3.09Å; A1081-S1085 WeakPolarHBondContact O-CB 3.39Å; A1081-S1085 PolarHBondContact O-N 3.01Å; A1081-S1085 VanDerWaalsContact O-N 3.12Å; A1081-S1085 PolarHBondContact O-OG 2.99Å; K1082-S1085 PolarHBondContact O-N 3.11Å; K1082-S1085 VanDerWaalsContact O-N 3.15Å; L1083-S1085 PolarHBondContact O-N 3.39Å |
| 1086 | G | 80.5 | Confident | 86.7 | Confident | 47 Ų | 47 | 27 Ų | 27 | 49% | 0.485 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 86.9 | 5.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | K1082 L1083 W1084 S1088 | K1082-G1086 PolarHBondContact O-N 3.33Å; L1083-G1086 PolarHBondContact O-N 2.99Å; W1084-G1086 VanDerWaalsContact C-N 3.31Å; G1086-S1088 PolarHBondContact O-N 3.18Å |
| 1087 | E | 84.1 | Confident | 86.5 | Confident | 79 Ų | 79 | 29.3 Ų | 29.3 | 37% | 0.369 | 17% | 0.17 | S | C | . | . | trans | -94.1 | 69.1 | 178.4 | -65.5 | -179.2 | -135.9 | 0 | 0 | 111 | K1082 G1089 S1090 A1091 | K1082-E1087 HydrophobicContact CD-CB 4.21Å; K1082-E1087 HydrophobicContact CD-CG 4.5Å; K1082-E1087 VanDerWaalsContact CD-OE2 3.29Å; K1082-E1087 WeakPolarHBondContact CD-OE2 3.26Å; K1082-E1087 WeakPolarHBondContact CE-OE2 3.42Å; K1082-E1087 IonicContact NZ-OE1 3.7Å; K1082-E1087 PolarHBondContact NZ-OE1 2.98Å; K1082-E1087 IonicContact NZ-OE2 2.73Å; K1082-E1087 PolarHBondContact NZ-OE2 3.01Å; K1082-E1087 PolarHBondContact O-N 3.03Å; E1087-G1089 PolarHBondContact O-N 3.27Å; E1087-S1090 PolarHBondContact O-N 2.88Å; E1087-S1090 PolarHBondContact OE2-OG 3.33Å; E1087-S1090 VanDerWaalsContact OE2-OG 3.1Å; E1087-A1091 PolarHBondContact O-N 3.08Å | ||
| 1088 | S | 85.9 | Confident | 86.5 | Confident | 19 Ų | 19 | 29.3 Ų | 29.3 | 13% | 0.133 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -57.9 | -43 | -177.6 | 56.2 | 0 | 0 | 0 | 0 | 113.2 | G1086 S1090 A1091 K1092 E1194 | G1086-S1088 PolarHBondContact O-N 3.18Å; S1088-S1090 PolarHBondContact O-N 3.29Å; S1088-A1091 WeakPolarHBondContact O-CB 3.3Å; S1088-A1091 PolarHBondContact O-N 3.03Å; S1088-K1092 PolarHBondContact O-N 2.88Å; S1088-E1194 VanDerWaalsContact CB-OE1 3.24Å; S1088-E1194 WeakPolarHBondContact CB-OE1 3.48Å; S1088-E1194 PolarHBondContact OG-OE1 3.16Å |
| 1089 | G | 84 | Confident | 86.6 | Confident | 31 Ų | 31 | 29.1 Ų | 29.1 | 32% | 0.32 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -62.1 | -41.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | E1087 K1092 K1093 | E1087-G1089 PolarHBondContact O-N 3.27Å; G1089-K1092 PolarHBondContact O-N 2.86Å; G1089-K1093 PolarHBondContact O-N 3.46Å |
| 1090 | S | 84.4 | Confident | 86.5 | Confident | 45 Ų | 45 | 32.4 Ų | 32.4 | 32% | 0.315 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -66.2 | -41 | 174.2 | -59.3 | 0 | 0 | 0 | 0 | 111.5 | E1087 S1088 K1093 H1094 | E1087-S1090 PolarHBondContact O-N 2.88Å; E1087-S1090 PolarHBondContact OE2-OG 3.33Å; E1087-S1090 VanDerWaalsContact OE2-OG 3.1Å; S1088-S1090 PolarHBondContact O-N 3.29Å; S1090-K1093 PolarHBondContact O-N 3.37Å; S1090-H1094 PolarHBondContact O-CD2 3.32Å; S1090-H1094 PolarHBondContact O-N 2.76Å; S1090-H1094 VanDerWaalsContact O-N 3.12Å |
| 1091 | A | 87.9 | Confident | 86.2 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.6 | -45.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | G1079 K1082 L1083 E1087 S1088 K1093 H1094 F1095 F1186 | G1079-A1091 VanDerWaalsContact O-CB 3.25Å; G1079-A1091 WeakPolarHBondContact O-CB 3.31Å; K1082-A1091 HydrophobicContact CB-CB 4.15Å; L1083-A1091 HydrophobicContact CB-CB 3.96Å; E1087-A1091 PolarHBondContact O-N 3.08Å; S1088-A1091 WeakPolarHBondContact O-CB 3.3Å; S1088-A1091 PolarHBondContact O-N 3.03Å; A1091-K1093 PolarHBondContact O-N 2.85Å; A1091-H1094 PolarHBondContact O-N 2.81Å; A1091-F1095 HydrophobicContact CB-CE2 4.11Å; A1091-F1095 WeakPolarHBondContact O-CD2 3.17Å; A1091-F1095 VanDerWaalsContact O-CG 3.28Å; A1091-F1095 WeakPolarHBondContact O-CG 3.41Å; A1091-F1095 PolarHBondContact O-N 2.84Å; A1091-F1186 HydrophobicContact CB-CE1 4.47Å; A1091-F1186 HydrophobicContact CB-CZ 4.27Å |
| 1092 | K | 90.7 | Very high | 85.9 | Confident | 41 Ų | 41 | 36.6 Ų | 36.6 | 18% | 0.178 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -54 | -50.3 | 174.3 | -176.6 | -172.6 | 73.9 | -171.5 | 0 | 111.8 | S1088 G1089 H1094 F1095 I1096 F1186 E1194 D1197 L1198 | S1088-K1092 PolarHBondContact O-N 2.88Å; G1089-K1092 PolarHBondContact O-N 2.86Å; K1092-H1094 VanDerWaalsContact C-N 3.35Å; K1092-H1094 PolarHBondContact O-N 2.9Å; K1092-F1095 PolarHBondContact O-N 2.8Å; K1092-I1096 HydrophobicContact CG-CD1 4.2Å; K1092-I1096 WeakPolarHBondContact O-CG1 3.28Å; K1092-I1096 PolarHBondContact O-N 2.8Å; K1092-F1186 HydrophobicContact CB-CZ 4.45Å; K1092-E1194 HydrophobicContact CB-CG 4.4Å; K1092-E1194 HydrophobicContact CD-CB 4.25Å; K1092-E1194 HydrophobicContact CD-CG 4.31Å; K1092-D1197 HydrophobicContact CD-CB 3.84Å; K1092-D1197 IonicContact NZ-OD2 3.4Å; K1092-D1197 PolarHBondContact NZ-OD2 3.09Å; K1092-L1198 HydrophobicContact CD-CG 4.45Å; K1092-L1198 HydrophobicContact CG-CD1 4.44Å; K1092-L1198 HydrophobicContact CG-CD2 3.85Å; K1092-L1198 HydrophobicContact CG-CG 3.93Å |
| 1093 | K | 87.7 | Confident | 85.8 | Confident | 110 Ų | 110 | 38.5 Ų | 38.5 | 48% | 0.478 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -56.6 | -48.3 | 178.5 | -71.8 | -176.8 | 179.4 | -175.2 | 0 | 111.1 | G1089 S1090 A1091 F1095 I1096 T1097 | G1089-K1093 PolarHBondContact O-N 3.46Å; S1090-K1093 PolarHBondContact O-N 3.37Å; A1091-K1093 PolarHBondContact O-N 2.85Å; K1093-F1095 PolarHBondContact O-N 2.79Å; K1093-I1096 PolarHBondContact O-N 2.92Å; K1093-T1097 PolarHBondContact O-N 3.09Å; K1093-T1097 PolarHBondContact O-OG1 3.13Å |
| 1094 | H | 88.7 | Confident | 85.4 | Confident | 45 Ų | 45 | 41.3 Ų | 41.3 | 21% | 0.208 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65.2 | -35.3 | 178.8 | -79 | -58 | 0 | 0 | 0 | 113.8 | H1075 S1090 A1091 K1092 T1097 A1098 | H1075-H1094 AromaticContact CE1-ND1 3.95Å; H1075-H1094 AromaticContact ND1-CE1 3.98Å; H1075-H1094 AromaticContact ND1-ND1 3.26Å; H1075-H1094 PolarHBondContact ND1-ND1 3.19Å; S1090-H1094 PolarHBondContact O-CD2 3.32Å; S1090-H1094 PolarHBondContact O-N 2.76Å; S1090-H1094 VanDerWaalsContact O-N 3.12Å; A1091-H1094 PolarHBondContact O-N 2.81Å; K1092-H1094 VanDerWaalsContact C-N 3.35Å; K1092-H1094 PolarHBondContact O-N 2.9Å; H1094-T1097 PolarHBondContact O-N 3.05Å; H1094-A1098 WeakPolarHBondContact O-CB 3.49Å; H1094-A1098 PolarHBondContact O-N 3.46Å |
| 1095 | F | 90.9 | Very high | 84.9 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -67.2 | -37.9 | 174.6 | -66.2 | -35.3 | 0 | 0 | 0 | 112.7 | L1076 G1079 L1080 A1091 K1092 K1093 A1098 S1099 L1182 F1186 | L1076-F1095 HydrophobicContact CD1-CD1 4.24Å; L1076-F1095 HydrophobicContact CD1-CE1 3.95Å; G1079-F1095 VanDerWaalsContact C-CZ 3.4Å; L1080-F1095 HydrophobicContact CD2-CZ 4.23Å; L1080-F1095 HydrophobicContact CG-CE1 4.36Å; L1080-F1095 HydrophobicContact CG-CZ 4.39Å; A1091-F1095 HydrophobicContact CB-CE2 4.11Å; A1091-F1095 WeakPolarHBondContact O-CD2 3.17Å; A1091-F1095 VanDerWaalsContact O-CG 3.28Å; A1091-F1095 WeakPolarHBondContact O-CG 3.41Å; A1091-F1095 PolarHBondContact O-N 2.84Å; K1092-F1095 PolarHBondContact O-N 2.8Å; K1093-F1095 PolarHBondContact O-N 2.79Å; F1095-A1098 PolarHBondContact O-N 2.98Å; F1095-S1099 WeakPolarHBondContact O-CB 3.35Å; F1095-S1099 PolarHBondContact O-N 2.92Å; F1095-L1182 HydrophobicContact CB-CD1 3.78Å; F1095-L1182 HydrophobicContact CD1-CD1 3.68Å; F1095-L1182 HydrophobicContact CD1-CD2 4.32Å; F1095-L1182 HydrophobicContact CD2-CD1 4.46Å; F1095-L1182 HydrophobicContact CE1-CD1 4.36Å; F1095-L1182 HydrophobicContact CE1-CD2 4.19Å; F1095-L1182 HydrophobicContact CG-CD1 3.73Å; F1095-L1182 HydrophobicContact CZ-CD2 4.48Å; F1095-F1186 AromaticContact CD2-CE2 3.44Å; F1095-F1186 HydrophobicContact CD2-CE2 3.44Å; F1095-F1186 VanDerWaalsContact CD2-CE2 3.44Å; F1095-F1186 AromaticContact CD2-CZ 3.56Å; F1095-F1186 HydrophobicContact CD2-CZ 3.56Å; F1095-F1186 HydrophobicContact CE2-CE1 4.49Å; F1095-F1186 AromaticContact CE2-CE2 3.47Å; F1095-F1186 HydrophobicContact CE2-CE2 3.47Å; F1095-F1186 VanDerWaalsContact CE2-CE2 3.47Å; F1095-F1186 AromaticContact CE2-CZ 3.45Å; F1095-F1186 HydrophobicContact CE2-CZ 3.45Å; F1095-F1186 VanDerWaalsContact CE2-CZ 3.45Å |
| 1096 | I | 86.7 | Confident | 84.7 | Confident | 34 Ų | 34 | 39.6 Ų | 39.6 | 17% | 0.174 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.5 | -47.2 | 171.5 | -65.3 | 168.2 | 0 | 0 | 0 | 109.7 | K1092 K1093 A1098 S1099 N1100 L1198 F1201 | K1092-I1096 HydrophobicContact CG-CD1 4.2Å; K1092-I1096 WeakPolarHBondContact O-CG1 3.28Å; K1092-I1096 PolarHBondContact O-N 2.8Å; K1093-I1096 PolarHBondContact O-N 2.92Å; I1096-A1098 VanDerWaalsContact C-N 3.35Å; I1096-A1098 PolarHBondContact O-N 3.33Å; I1096-S1099 WeakPolarHBondContact O-CB 3.39Å; I1096-S1099 PolarHBondContact O-N 2.87Å; I1096-S1099 VanDerWaalsContact O-N 3.12Å; I1096-S1099 PolarHBondContact O-OG 3.36Å; I1096-N1100 PolarHBondContact O-N 2.99Å; I1096-L1198 HydrophobicContact CD1-CD2 3.99Å; I1096-L1198 HydrophobicContact CG1-CD2 3.63Å; I1096-F1201 HydrophobicContact CG2-CE1 4.21Å; I1096-F1201 HydrophobicContact CG2-CE2 3.98Å; I1096-F1201 HydrophobicContact CG2-CZ 3.77Å |
| 1097 | T | 85.4 | Confident | 84.6 | Confident | 47 Ų | 47 | 40.4 Ų | 40.4 | 29% | 0.288 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -58.8 | -44.6 | 176.2 | -46.7 | 0 | 0 | 0 | 0 | 111.9 | K1093 H1094 S1099 N1100 W1101 | K1093-T1097 PolarHBondContact O-N 3.09Å; K1093-T1097 PolarHBondContact O-OG1 3.13Å; H1094-T1097 PolarHBondContact O-N 3.05Å; T1097-S1099 VanDerWaalsContact C-N 3.29Å; T1097-S1099 PolarHBondContact O-N 3.17Å; T1097-N1100 PolarHBondContact O-N 3.4Å; T1097-W1101 PolarHBondContact O-N 3.17Å |
| 1098 | A | 88.1 | Confident | 83.9 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -58.6 | -42.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | S1072 H1075 H1094 F1095 I1096 W1101 L1102 F1178 | S1072-A1098 VanDerWaalsContact CB-O 3.28Å; S1072-A1098 WeakPolarHBondContact CB-O 3.48Å; S1072-A1098 WeakPolarHBondContact O-CB 3.17Å; H1075-A1098 HydrophobicContact CB-CB 3.68Å; H1094-A1098 WeakPolarHBondContact O-CB 3.49Å; H1094-A1098 PolarHBondContact O-N 3.46Å; F1095-A1098 PolarHBondContact O-N 2.98Å; I1096-A1098 VanDerWaalsContact C-N 3.35Å; I1096-A1098 PolarHBondContact O-N 3.33Å; A1098-W1101 PolarHBondContact O-N 3.19Å; A1098-L1102 WeakPolarHBondContact O-CB 3.35Å; A1098-L1102 PolarHBondContact O-N 3.46Å; A1098-F1178 HydrophobicContact CB-CE1 3.91Å; A1098-F1178 HydrophobicContact CB-CZ 4.04Å |
| 1099 | S | 88.7 | Confident | 83.2 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65.2 | -37.8 | 177.9 | 85.3 | 0 | 0 | 0 | 0 | 112.4 | F1095 I1096 T1097 L1102 Y1103 Q1175 | F1095-S1099 WeakPolarHBondContact O-CB 3.35Å; F1095-S1099 PolarHBondContact O-N 2.92Å; I1096-S1099 WeakPolarHBondContact O-CB 3.39Å; I1096-S1099 PolarHBondContact O-N 2.87Å; I1096-S1099 VanDerWaalsContact O-N 3.12Å; I1096-S1099 PolarHBondContact O-OG 3.36Å; T1097-S1099 VanDerWaalsContact C-N 3.29Å; T1097-S1099 PolarHBondContact O-N 3.17Å; S1099-L1102 PolarHBondContact O-N 3.2Å; S1099-Y1103 WeakPolarHBondContact O-CB 3.41Å; S1099-Y1103 PolarHBondContact O-N 3.31Å; S1099-Q1175 PolarHBondContact OG-NE2 3.31Å |
| 1100 | N | 86.5 | Confident | 82.6 | Confident | 68 Ų | 68 | 41.1 Ų | 41.1 | 36% | 0.364 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -67.6 | -42.1 | 177 | -69.3 | -14 | 0 | 0 | 0 | 111 | I1096 T1097 L1102 Y1103 C1104 Q1175 | I1096-N1100 PolarHBondContact O-N 2.99Å; T1097-N1100 PolarHBondContact O-N 3.4Å; N1100-L1102 VanDerWaalsContact C-N 3.34Å; N1100-Y1103 WeakPolarHBondContact O-CB 2.84Å; N1100-Y1103 PolarHBondContact O-N 3.03Å; N1100-C1104 PolarHBondContact O-N 2.81Å; N1100-C1104 PolarHBondContact O-SG 3.32Å; N1100-Q1175 PolarHBondContact OD1-NE2 2.93Å |
| 1101 | W | 82.5 | Confident | 81.9 | Confident | 89 Ų | 89 | 42.5 Ų | 42.5 | 34% | 0.337 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -60.9 | -45.5 | 173 | -80.3 | 110 | 0 | 0 | 0 | 111.5 | F1071 H1075 T1097 A1098 Y1103 C1104 Y1105 | F1071-W1101 HydrophobicContact CB-CB 4.49Å; F1071-W1101 HydrophobicContact CB-CD2 3.7Å; F1071-W1101 HydrophobicContact CB-CE3 4.14Å; F1071-W1101 HydrophobicContact CB-CG 3.84Å; F1071-W1101 HydrophobicContact CB-CZ2 4.42Å; F1071-W1101 HydrophobicContact CD2-CD2 4.38Å; F1071-W1101 HydrophobicContact CD2-CE3 4.11Å; F1071-W1101 AromaticContact CD2-CH2 3.93Å; F1071-W1101 HydrophobicContact CD2-CH2 3.93Å; F1071-W1101 HydrophobicContact CD2-CZ2 4.19Å; F1071-W1101 AromaticContact CD2-CZ3 3.88Å; F1071-W1101 HydrophobicContact CD2-CZ3 3.88Å; F1071-W1101 HydrophobicContact CG-CD2 4.44Å; F1071-W1101 HydrophobicContact CG-CZ2 4.44Å; H1075-W1101 AromaticContact CD2-CD1 3.56Å; H1075-W1101 AromaticContact CD2-NE1 3.67Å; H1075-W1101 AromaticContact NE2-NE1 3.65Å; T1097-W1101 PolarHBondContact O-N 3.17Å; A1098-W1101 PolarHBondContact O-N 3.19Å; W1101-Y1103 VanDerWaalsContact C-N 3.33Å; W1101-Y1103 PolarHBondContact O-N 3.09Å; W1101-C1104 PolarHBondContact O-N 3.38Å; W1101-Y1105 HydrophobicContact CB-CD2 4.41Å; W1101-Y1105 HydrophobicContact CB-CE2 4.3Å; W1101-Y1105 HydrophobicContact CE3-CE2 4.2Å; W1101-Y1105 WeakPolarHBondContact O-CD2 3.34Å; W1101-Y1105 PolarHBondContact O-N 3.32Å |
| 1102 | L | 82.8 | Confident | 80.8 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.1 | -46.5 | 176.3 | -172.8 | 62.2 | 0 | 0 | 0 | 110.6 | A1098 S1099 N1100 C1104 Y1105 T1106 L1132 L1147 V1174 F1178 | A1098-L1102 WeakPolarHBondContact O-CB 3.35Å; A1098-L1102 PolarHBondContact O-N 3.46Å; S1099-L1102 PolarHBondContact O-N 3.2Å; N1100-L1102 VanDerWaalsContact C-N 3.34Å; L1102-C1104 PolarHBondContact O-N 3.09Å; L1102-Y1105 PolarHBondContact O-N 3.31Å; L1102-T1106 HydrophobicContact CD1-CG2 4.38Å; L1102-T1106 HydrophobicContact CG-CG2 4.48Å; L1102-T1106 VanDerWaalsContact O-CG2 3.26Å; L1102-T1106 WeakPolarHBondContact O-CG2 3.37Å; L1102-T1106 PolarHBondContact O-N 3.22Å; L1102-T1106 PolarHBondContact O-OG1 3.06Å; L1102-L1132 HydrophobicContact CD1-CD1 3.9Å; L1102-L1132 HydrophobicContact CD1-CD2 4.21Å; L1102-L1147 HydrophobicContact CD2-CD2 4.35Å; L1102-V1174 HydrophobicContact CD2-CG1 3.78Å; L1102-V1174 HydrophobicContact CG-CG1 3.96Å; L1102-F1178 HydrophobicContact CD2-CB 3.79Å; L1102-F1178 HydrophobicContact CD2-CD1 4.41Å; L1102-F1178 HydrophobicContact CD2-CD2 3.84Å; L1102-F1178 HydrophobicContact CD2-CG 3.76Å |
| 1103 | Y | 83.8 | Confident | 79.5 | Confident | 70 Ų | 70 | 47.9 Ų | 47.9 | 28% | 0.275 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -52.2 | -52.4 | 173.2 | 176.4 | -90.4 | 0 | 0 | 0 | 111.5 | S1099 N1100 W1101 Y1105 T1106 Q1107 P1171 I1172 Q1175 | S1099-Y1103 WeakPolarHBondContact O-CB 3.41Å; S1099-Y1103 PolarHBondContact O-N 3.31Å; N1100-Y1103 WeakPolarHBondContact O-CB 2.84Å; N1100-Y1103 PolarHBondContact O-N 3.03Å; W1101-Y1103 VanDerWaalsContact C-N 3.33Å; W1101-Y1103 PolarHBondContact O-N 3.09Å; Y1103-Y1105 PolarHBondContact O-N 3.01Å; Y1103-T1106 WeakPolarHBondContact CA-OG1 3.45Å; Y1103-T1106 PolarHBondContact O-N 2.85Å; Y1103-T1106 PolarHBondContact O-OG1 3.37Å; Y1103-Q1107 WeakPolarHBondContact O-CB 3.32Å; Y1103-Q1107 PolarHBondContact O-N 2.91Å; Y1103-P1171 HydrophobicContact CD2-CB 3.63Å; Y1103-P1171 HydrophobicContact CE2-CB 3.48Å; Y1103-P1171 VanDerWaalsContact CE2-CB 3.48Å; Y1103-P1171 HydrophobicContact CG-CB 4.42Å; Y1103-I1172 HydrophobicContact CD2-CG1 4.46Å; Y1103-I1172 HydrophobicContact CE2-CD1 3.88Å; Y1103-I1172 HydrophobicContact CE2-CG1 3.74Å; Y1103-Q1175 HydrophobicContact CD2-CB 4.47Å |
| 1104 | C | 78.5 | Confident | 78.3 | Confident | 63 Ų | 63 | 46.3 Ų | 46.3 | 43% | 0.426 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -59.7 | -46 | 177.7 | -66.9 | 0 | 0 | 0 | 0 | 112.5 | N1100 W1101 L1102 T1106 Q1107 S1108 | N1100-C1104 PolarHBondContact O-N 2.81Å; N1100-C1104 PolarHBondContact O-SG 3.32Å; W1101-C1104 PolarHBondContact O-N 3.38Å; L1102-C1104 PolarHBondContact O-N 3.09Å; C1104-T1106 VanDerWaalsContact C-N 3.3Å; C1104-T1106 PolarHBondContact O-N 3.21Å; C1104-Q1107 PolarHBondContact O-N 3.3Å; C1104-S1108 PolarHBondContact O-N 3.03Å; C1104-S1108 PolarHBondContact O-OG 3Å; C1104-S1108 VanDerWaalsContact O-OG 3.14Å |
| 1105 | Y | 74.5 | Confident | 76.8 | Confident | 42 Ų | 42 | 50.4 Ų | 50.4 | 17% | 0.165 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -58.8 | -43.3 | 176.6 | -80.3 | -64.1 | 0 | 0 | 0 | 111.7 | K1069 F1071 W1101 L1102 Y1103 F1109 L1132 | K1069-Y1105 VanDerWaalsContact C-OH 3.29Å; K1069-Y1105 WeakPolarHBondContact O-CE1 3.4Å; K1069-Y1105 PolarHBondContact O-OH 2.91Å; F1071-Y1105 PolarHBondContact N-OH 2.77Å; W1101-Y1105 HydrophobicContact CB-CD2 4.41Å; W1101-Y1105 HydrophobicContact CB-CE2 4.3Å; W1101-Y1105 HydrophobicContact CE3-CE2 4.2Å; W1101-Y1105 WeakPolarHBondContact O-CD2 3.34Å; W1101-Y1105 PolarHBondContact O-N 3.32Å; L1102-Y1105 PolarHBondContact O-N 3.31Å; Y1103-Y1105 PolarHBondContact O-N 3.01Å; Y1105-F1109 WeakPolarHBondContact O-CB 3.42Å; Y1105-F1109 PolarHBondContact O-N 3.3Å; Y1105-L1132 HydrophobicContact CD2-CD2 4.42Å; Y1105-L1132 HydrophobicContact CG-CD2 4.37Å |
| 1106 | T | 76.4 | Confident | 75 | Confident | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.006 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -70 | -37.5 | 178.4 | 60.3 | 0 | 0 | 0 | 0 | 112.9 | L1102 Y1103 C1104 F1109 M1110 F1148 P1171 V1174 | L1102-T1106 HydrophobicContact CD1-CG2 4.38Å; L1102-T1106 HydrophobicContact CG-CG2 4.48Å; L1102-T1106 VanDerWaalsContact O-CG2 3.26Å; L1102-T1106 WeakPolarHBondContact O-CG2 3.37Å; L1102-T1106 PolarHBondContact O-N 3.22Å; L1102-T1106 PolarHBondContact O-OG1 3.06Å; Y1103-T1106 WeakPolarHBondContact CA-OG1 3.45Å; Y1103-T1106 PolarHBondContact O-N 2.85Å; Y1103-T1106 PolarHBondContact O-OG1 3.37Å; C1104-T1106 VanDerWaalsContact C-N 3.3Å; C1104-T1106 PolarHBondContact O-N 3.21Å; T1106-F1109 PolarHBondContact O-N 2.95Å; T1106-M1110 VanDerWaalsContact O-CG 3.31Å; T1106-M1110 WeakPolarHBondContact O-CG 3.27Å; T1106-M1110 PolarHBondContact O-N 3.47Å; T1106-F1148 HydrophobicContact CG2-CE1 3.46Å; T1106-F1148 VanDerWaalsContact CG2-CE1 3.46Å; T1106-F1148 HydrophobicContact CG2-CZ 3.97Å; T1106-P1171 WeakPolarHBondContact OG1-CB 3.34Å; T1106-V1174 HydrophobicContact CG2-CB 4.25Å; T1106-V1174 HydrophobicContact CG2-CG1 3.98Å; T1106-V1174 HydrophobicContact CG2-CG2 4.17Å |
| 1107 | Q | 77.5 | Confident | 73.1 | Confident | 64 Ų | 64 | 54.8 Ų | 54.8 | 30% | 0.299 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -65.2 | -45.8 | 174.7 | -174.9 | 68.2 | 48.4 | 0 | 0 | 111.3 | Y1103 C1104 F1109 M1110 N1111 P1171 | Y1103-Q1107 WeakPolarHBondContact O-CB 3.32Å; Y1103-Q1107 PolarHBondContact O-N 2.91Å; C1104-Q1107 PolarHBondContact O-N 3.3Å; Q1107-F1109 VanDerWaalsContact C-N 3.3Å; Q1107-F1109 PolarHBondContact O-N 3.12Å; Q1107-M1110 WeakPolarHBondContact O-CB 3.46Å; Q1107-M1110 PolarHBondContact O-N 3.03Å; Q1107-N1111 PolarHBondContact NE2-OD1 2.57Å; Q1107-N1111 VanDerWaalsContact NE2-OD1 3.07Å; Q1107-N1111 VanDerWaalsContact O-CG 3.31Å; Q1107-N1111 PolarHBondContact O-N 2.93Å; Q1107-N1111 PolarHBondContact O-OD1 3.28Å; Q1107-P1171 HydrophobicContact CB-CB 4.45Å; Q1107-P1171 HydrophobicContact CB-CG 4.26Å |
| 1108 | S | 70.9 | Confident | 71.5 | Confident | 76 Ų | 76 | 58.7 Ų | 58.7 | 53% | 0.531 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62.4 | -38.6 | 175.9 | -62.1 | 0 | 0 | 0 | 0 | 112 | C1104 N1111 Y1112 | C1104-S1108 PolarHBondContact O-N 3.03Å; C1104-S1108 PolarHBondContact O-OG 3Å; C1104-S1108 VanDerWaalsContact O-OG 3.14Å; S1108-N1111 PolarHBondContact O-N 3.05Å; S1108-Y1112 WeakPolarHBondContact O-CB 3.34Å; S1108-Y1112 PolarHBondContact O-N 2.66Å |
| 1109 | F | 71.4 | Confident | 69.3 | Low | 31 Ų | 31 | 66.1 Ų | 66.1 | 14% | 0.136 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -63.6 | -41.2 | 173.6 | 178.7 | -112.8 | 0 | 0 | 0 | 112.2 | Y1105 T1106 Q1107 Y1112 L1113 V1129 P1130 L1169 | Y1105-F1109 WeakPolarHBondContact O-CB 3.42Å; Y1105-F1109 PolarHBondContact O-N 3.3Å; T1106-F1109 PolarHBondContact O-N 2.95Å; Q1107-F1109 VanDerWaalsContact C-N 3.3Å; Q1107-F1109 PolarHBondContact O-N 3.12Å; F1109-Y1112 PolarHBondContact O-N 3.15Å; F1109-L1113 HydrophobicContact CD1-CD1 4Å; F1109-L1113 HydrophobicContact CE1-CD1 3.49Å; F1109-L1113 VanDerWaalsContact CE1-CD1 3.49Å; F1109-L1113 HydrophobicContact CE1-CG 4.29Å; F1109-L1113 HydrophobicContact CE2-CD1 4.35Å; F1109-L1113 HydrophobicContact CE2-CG 4.31Å; F1109-L1113 HydrophobicContact CZ-CD1 3.69Å; F1109-L1113 HydrophobicContact CZ-CD2 4.32Å; F1109-L1113 HydrophobicContact CZ-CG 4.11Å; F1109-L1113 WeakPolarHBondContact O-CG 3.32Å; F1109-L1113 PolarHBondContact O-N 3.24Å; F1109-V1129 HydrophobicContact CE2-CB 4.41Å; F1109-V1129 HydrophobicContact CE2-CG1 4.23Å; F1109-V1129 HydrophobicContact CE2-CG2 4.24Å; F1109-V1129 HydrophobicContact CZ-CG1 4.34Å; F1109-V1129 HydrophobicContact CZ-CG2 4.33Å; F1109-P1130 HydrophobicContact CB-CG 4.22Å; F1109-P1130 HydrophobicContact CD2-CG 3.91Å; F1109-P1130 HydrophobicContact CG-CG 4.28Å; F1109-L1169 HydrophobicContact CD1-CD2 4.45Å |
| 1110 | M | 69.7 | Low | 66.7 | Low | 38 Ų | 38 | 74.7 Ų | 74.7 | 19% | 0.187 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -62.6 | -45.9 | 174.5 | -75.8 | -62.3 | -69.7 | 0 | 0 | 111.9 | T1106 Q1107 Y1112 L1113 T1114 L1169 P1171 | T1106-M1110 VanDerWaalsContact O-CG 3.31Å; T1106-M1110 WeakPolarHBondContact O-CG 3.27Å; T1106-M1110 PolarHBondContact O-N 3.47Å; Q1107-M1110 WeakPolarHBondContact O-CB 3.46Å; Q1107-M1110 PolarHBondContact O-N 3.03Å; M1110-Y1112 VanDerWaalsContact C-N 3.3Å; M1110-Y1112 PolarHBondContact O-N 3.24Å; M1110-L1113 PolarHBondContact O-N 3.21Å; M1110-L1113 HydrophobicContact SD-CD1 4.44Å; M1110-T1114 PolarHBondContact O-N 3.5Å; M1110-T1114 PolarHBondContact O-OG1 3.49Å; M1110-L1169 HydrophobicContact CE-CB 4.3Å; M1110-L1169 WeakPolarHBondContact CE-O 3.24Å; M1110-L1169 HydrophobicContact CG-CD2 4.21Å; M1110-L1169 HydrophobicContact CG-CG 4.45Å; M1110-L1169 HydrophobicContact SD-CB 3.66Å; M1110-L1169 HydrophobicContact SD-CD2 3.83Å; M1110-L1169 HydrophobicContact SD-CG 3.99Å; M1110-P1171 HydrophobicContact CG-CG 4.26Å |
| 1111 | N | 70.1 | Confident | 64.2 | Low | 74 Ų | 74 | 76.2 Ų | 76.2 | 40% | 0.396 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -60.6 | -41 | 177.3 | -67.1 | 4.8 | 0 | 0 | 0 | 111.4 | Q1107 S1108 T1114 E1115 | Q1107-N1111 PolarHBondContact NE2-OD1 2.57Å; Q1107-N1111 VanDerWaalsContact NE2-OD1 3.07Å; Q1107-N1111 VanDerWaalsContact O-CG 3.31Å; Q1107-N1111 PolarHBondContact O-N 2.93Å; Q1107-N1111 PolarHBondContact O-OD1 3.28Å; S1108-N1111 PolarHBondContact O-N 3.05Å; N1111-T1114 VanDerWaalsContact CA-OG1 3.29Å; N1111-T1114 WeakPolarHBondContact CA-OG1 3.34Å; N1111-T1114 PolarHBondContact O-N 3.12Å; N1111-T1114 PolarHBondContact O-OG1 3.33Å; N1111-E1115 PolarHBondContact O-N 3.27Å |
| 1112 | Y | 65.9 | Low | 61.8 | Low | 94 Ų | 94 | 80 Ų | 80 | 37% | 0.369 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -62.2 | -43.2 | 175.2 | 179.8 | -101.1 | 0 | 0 | 0 | 112.4 | S1108 F1109 M1110 T1114 E1115 S1116 N1128 | S1108-Y1112 WeakPolarHBondContact O-CB 3.34Å; S1108-Y1112 PolarHBondContact O-N 2.66Å; F1109-Y1112 PolarHBondContact O-N 3.15Å; M1110-Y1112 VanDerWaalsContact C-N 3.3Å; M1110-Y1112 PolarHBondContact O-N 3.24Å; Y1112-T1114 VanDerWaalsContact C-N 3.34Å; Y1112-T1114 PolarHBondContact O-N 2.84Å; Y1112-E1115 PolarHBondContact O-N 3.02Å; Y1112-S1116 WeakPolarHBondContact O-CB 2.92Å; Y1112-S1116 PolarHBondContact O-N 2.91Å; Y1112-S1116 PolarHBondContact O-OG 3.18Å; Y1112-N1128 HydrophobicContact CE1-CB 3.98Å; Y1112-N1128 PolarHBondContact OH-ND2 3.23Å |
| 1113 | L | 63 | Low | 59.4 | Low | 60 Ų | 60 | 84 Ų | 84 | 31% | 0.314 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -62.1 | -41.8 | 175.2 | -73.8 | 174 | 0 | 0 | 0 | 111.4 | F1109 M1110 S1116 S1117 | F1109-L1113 HydrophobicContact CD1-CD1 4Å; F1109-L1113 HydrophobicContact CE1-CD1 3.49Å; F1109-L1113 VanDerWaalsContact CE1-CD1 3.49Å; F1109-L1113 HydrophobicContact CE1-CG 4.29Å; F1109-L1113 HydrophobicContact CE2-CD1 4.35Å; F1109-L1113 HydrophobicContact CE2-CG 4.31Å; F1109-L1113 HydrophobicContact CZ-CD1 3.69Å; F1109-L1113 HydrophobicContact CZ-CD2 4.32Å; F1109-L1113 HydrophobicContact CZ-CG 4.11Å; F1109-L1113 WeakPolarHBondContact O-CG 3.32Å; F1109-L1113 PolarHBondContact O-N 3.24Å; M1110-L1113 PolarHBondContact O-N 3.21Å; M1110-L1113 HydrophobicContact SD-CD1 4.44Å; L1113-S1116 PolarHBondContact O-OG 3.48Å; L1113-S1117 PolarHBondContact O-N 2.87Å |
| 1114 | T | 63.2 | Low | 56.9 | Low | 77 Ų | 77 | 87.7 Ų | 87.7 | 47% | 0.472 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -66.3 | -43.2 | 178 | 50.3 | 0 | 0 | 0 | 0 | 112.8 | M1110 N1111 Y1112 S1117 | M1110-T1114 PolarHBondContact O-N 3.5Å; M1110-T1114 PolarHBondContact O-OG1 3.49Å; N1111-T1114 VanDerWaalsContact CA-OG1 3.29Å; N1111-T1114 WeakPolarHBondContact CA-OG1 3.34Å; N1111-T1114 PolarHBondContact O-N 3.12Å; N1111-T1114 PolarHBondContact O-OG1 3.33Å; Y1112-T1114 VanDerWaalsContact C-N 3.34Å; Y1112-T1114 PolarHBondContact O-N 2.84Å; T1114-S1117 PolarHBondContact O-N 2.96Å; T1114-S1117 PolarHBondContact O-OG 3.39Å |
| 1115 | E | 57.3 | Low | 54.6 | Low | 131 Ų | 131 | 89.8 Ų | 89.8 | 61% | 0.612 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -66.5 | -40.9 | 177.6 | -75.2 | 176.1 | -174 | 0 | 0 | 112 | N1111 Y1112 S1117 I1118 | N1111-E1115 PolarHBondContact O-N 3.27Å; Y1112-E1115 PolarHBondContact O-N 3.02Å; E1115-S1117 PolarHBondContact O-N 3.49Å; E1115-I1118 PolarHBondContact O-N 3.2Å; E1115-I1118 VanDerWaalsContact O-N 3.12Å |
| 1116 | S | 53 | Low | 52.7 | Low | 59 Ų | 59 | 95.4 Ų | 95.4 | 41% | 0.413 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.3 | -25 | 179.3 | 71 | 0 | 0 | 0 | 0 | 113.3 | Y1112 L1113 I1118 | Y1112-S1116 WeakPolarHBondContact O-CB 2.92Å; Y1112-S1116 PolarHBondContact O-N 2.91Å; Y1112-S1116 PolarHBondContact O-OG 3.18Å; L1113-S1116 PolarHBondContact O-OG 3.48Å; S1116-I1118 VanDerWaalsContact C-N 3.26Å; S1116-I1118 PolarHBondContact O-N 3.4Å |
| 1117 | S | 46.3 | Very low | 50.8 | Low | 67 Ų | 67 | 103.9 Ų | 103.9 | 47% | 0.469 | 57% | 0.565 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -70.2 | -20.5 | 176.6 | 76.9 | 0 | 0 | 0 | 0 | 113.6 | L1113 T1114 E1115 | L1113-S1117 PolarHBondContact O-N 2.87Å; T1114-S1117 PolarHBondContact O-N 2.96Å; T1114-S1117 PolarHBondContact O-OG 3.39Å; E1115-S1117 PolarHBondContact O-N 3.49Å |
| 1118 | I | 50.5 | Low | 49.2 | Very low | 129 Ų | 129 | 105.8 Ų | 105.8 | 66% | 0.662 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.3 | -23.6 | -177.1 | -59.2 | 172.7 | 0 | 0 | 0 | 111.5 | E1115 S1116 | E1115-I1118 PolarHBondContact O-N 3.2Å; E1115-I1118 VanDerWaalsContact O-N 3.12Å; S1116-I1118 VanDerWaalsContact C-N 3.26Å; S1116-I1118 PolarHBondContact O-N 3.4Å |
| 1119 | H | 43.8 | Very low | 48 | Very low | 155 Ų | 155 | 105.6 Ų | 105.6 | 72% | 0.718 | 57% | 0.572 | S | S | * | * | trans | -108 | 79.1 | 179.6 | -72.5 | -62.5 | 0 | 0 | 0 | 112.2 | S1121 | H1119-S1121 PolarHBondContact O-N 3.37Š| ||
| 1120 | H | 33.3 | Very low | 47 | Very low | 180 Ų | 180 | 106.7 Ų | 106.7 | 83% | 0.833 | 58% | 0.583 | S | S | * | * | trans | -66.3 | 90.4 | 167.1 | -79.3 | -54.5 | 0 | 0 | 0 | 111.3 | ||||
| 1121 | S | 33.7 | Very low | 46.6 | Very low | 100 Ų | 100 | 111.1 Ų | 111.1 | 70% | 0.699 | 60% | 0.601 | S | S | * | * | trans | -138.7 | 129.2 | 154.4 | 64 | 0 | 0 | 0 | 0 | 110.1 | H1119 S1123 | H1119-S1121 PolarHBondContact O-N 3.37Å; S1121-S1123 PolarHBondContact O-N 3.02Å | ||
| 1122 | N | 32.8 | Very low | 46.6 | Very low | 169 Ų | 169 | 108.1 Ų | 108.1 | 90% | 0.904 | 59% | 0.585 | S | S | * | * | trans | -53.3 | 102.8 | -175 | -73.1 | -32.7 | 0 | 0 | 0 | 111.7 | ||||
| 1123 | S | 31.5 | Very low | 47 | Very low | 83 Ų | 83 | 103.8 Ų | 103.8 | 58% | 0.58 | 57% | 0.568 | S | S | * | * | trans | -142.7 | 141.5 | 157.2 | 65 | 0 | 0 | 0 | 0 | 109.1 | S1121 T1125 | S1121-S1123 PolarHBondContact O-N 3.02Å; S1123-T1125 PolarHBondContact O-N 3.24Å; S1123-T1125 PolarHBondContact O-OG1 3.17Å | ||
| 1124 | T | 32 | Very low | 47.7 | Very low | 149 Ų | 149 | 101 Ų | 101 | 91% | 0.914 | 55% | 0.553 | S | S | * | * | trans | -59.7 | 86.1 | -175 | 42.6 | 0 | 0 | 0 | 0 | 112.1 | N1126 | T1124-N1126 PolarHBondContact O-N 3.07Š| ||
| 1125 | T | 30.8 | Very low | 48.1 | Very low | 107 Ų | 107 | 98.2 Ų | 98.2 | 66% | 0.656 | 54% | 0.536 | S | S | * | . | trans | -93.9 | 79.7 | -176.5 | 41.9 | 0 | 0 | 0 | 0 | 111.7 | S1123 | S1123-T1125 PolarHBondContact O-N 3.24Å; S1123-T1125 PolarHBondContact O-OG1 3.17Å | ||
| 1126 | N | 33.7 | Very low | 48.6 | Very low | 159 Ų | 159 | 96 Ų | 96 | 85% | 0.85 | 53% | 0.528 | S | S | * | . | trans | -126.1 | 8 | 166.3 | -109.9 | -8.1 | 0 | 0 | 0 | 113.8 | T1124 | T1124-N1126 PolarHBondContact O-N 3.07Š| ||
| 1127 | Q | 36.5 | Very low | 49.4 | Very low | 180 Ų | 180 | 93.6 Ų | 93.6 | 84% | 0.841 | 51% | 0.51 | S | S | * | . | S | Bend | trans | -103.1 | -2.5 | -175.4 | -70.8 | -167.8 | -4.5 | 0 | 0 | 116.2 | ||
| 1128 | N | 43.1 | Very low | 50.7 | Low | 103 Ų | 103 | 90.4 Ų | 90.4 | 55% | 0.551 | 49% | 0.488 | S | S | * | . | trans | -108 | 14.4 | -169.9 | -73.8 | -6.3 | 0 | 0 | 0 | 116.1 | Y1112 P1130 | Y1112-N1128 HydrophobicContact CE1-CB 3.98Å; Y1112-N1128 PolarHBondContact OH-ND2 3.23Å; N1128-P1130 WeakPolarHBondContact O-CD 3.33Å | ||
| 1129 | V | 46.7 | Very low | 51.4 | Low | 73 Ų | 73 | 86.5 Ų | 86.5 | 44% | 0.442 | 47% | 0.471 | S | S | . | . | S | Bend | trans | -67.4 | 121.5 | 166 | -176.1 | 0 | 0 | 0 | 0 | 107.7 | F1109 K1131 | F1109-V1129 HydrophobicContact CE2-CB 4.41Å; F1109-V1129 HydrophobicContact CE2-CG1 4.23Å; F1109-V1129 HydrophobicContact CE2-CG2 4.24Å; F1109-V1129 HydrophobicContact CZ-CG1 4.34Å; F1109-V1129 HydrophobicContact CZ-CG2 4.33Å; V1129-K1131 PolarHBondContact O-N 3.29Å |
| 1130 | P | 50.4 | Low | 52.6 | Low | 54 Ų | 54 | 83.9 Ų | 83.9 | 35% | 0.351 | 46% | 0.457 | S | S | . | . | trans | -57.7 | 118.3 | 177.4 | 20.5 | -28.7 | 0 | 0 | 0 | 108.7 | F1109 N1128 L1132 | F1109-P1130 HydrophobicContact CB-CG 4.22Å; F1109-P1130 HydrophobicContact CD2-CG 3.91Å; F1109-P1130 HydrophobicContact CG-CG 4.28Å; N1128-P1130 WeakPolarHBondContact O-CD 3.33Å; P1130-L1132 PolarHBondContact O-N 2.85Å | ||
| 1131 | K | 61.1 | Low | 54.3 | Low | 130 Ų | 130 | 77.8 Ų | 77.8 | 57% | 0.565 | 43% | 0.429 | S | S | * | . | trans | -69.4 | 81.4 | 178 | -69.5 | -178.2 | -179.9 | 178.3 | 0 | 109.1 | V1129 L1133 | V1129-K1131 PolarHBondContact O-N 3.29Å; K1131-L1133 PolarHBondContact O-N 2.88Å | ||
| 1132 | L | 70 | Confident | 56.2 | Low | 12 Ų | 12 | 73.1 Ų | 73.1 | 6% | 0.063 | 40% | 0.397 | C | S | . | . | trans | -54.6 | 133.7 | 164.6 | -68.4 | 170.4 | 0 | 0 | 0 | 107.8 | D1070 L1102 Y1105 P1130 P1135 F1148 | D1070-L1132 WeakPolarHBondContact OD2-CA 3.5Å; L1102-L1132 HydrophobicContact CD1-CD1 3.9Å; L1102-L1132 HydrophobicContact CD1-CD2 4.21Å; Y1105-L1132 HydrophobicContact CD2-CD2 4.42Å; Y1105-L1132 HydrophobicContact CG-CD2 4.37Å; P1130-L1132 PolarHBondContact O-N 2.85Å; L1132-P1135 VanDerWaalsContact CB-CD 3.5Å; L1132-P1135 HydrophobicContact CB-CG 3.96Å; L1132-P1135 WeakPolarHBondContact O-CD 3.26Å; L1132-F1148 HydrophobicContact CD1-CZ 4.2Å | ||
| 1133 | L | 73.6 | Confident | 57.9 | Low | 3 Ų | 3 | 66.2 Ų | 66.2 | 2% | 0.016 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -83.1 | -24.2 | 175.3 | -63 | 177.6 | 0 | 0 | 0 | 110.9 | Q962 V965 W1067 D1070 F1073 K1131 I1136 L1137 | Q962-L1133 HydrophobicContact CG-CD2 4.13Å; V965-L1133 HydrophobicContact CG2-CB 4.16Å; V965-L1133 HydrophobicContact CG2-CD1 4.23Å; V965-L1133 HydrophobicContact CG2-CD2 3.93Å; V965-L1133 HydrophobicContact CG2-CG 4.33Å; W1067-L1133 HydrophobicContact CZ2-CD1 3.95Å; D1070-L1133 HydrophobicContact CB-CB 4.19Å; D1070-L1133 HydrophobicContact CB-CD1 4.26Å; D1070-L1133 HydrophobicContact CB-CG 4.1Å; D1070-L1133 PolarHBondContact OD2-N 3.05Å; F1073-L1133 HydrophobicContact CB-CB 4.23Å; F1073-L1133 HydrophobicContact CD1-CB 4.26Å; F1073-L1133 HydrophobicContact CD1-CD1 4.27Å; F1073-L1133 HydrophobicContact CD2-CB 4.25Å; F1073-L1133 HydrophobicContact CG-CB 4.01Å; K1131-L1133 PolarHBondContact O-N 2.88Å; L1133-I1136 HydrophobicContact CD2-CD1 3.78Å; L1133-I1136 WeakPolarHBondContact O-CB 3.43Å; L1133-I1136 PolarHBondContact O-N 3.44Å; L1133-L1137 PolarHBondContact O-N 3.15Å |
| 1134 | I | 78 | Confident | 59.5 | Low | 2 Ų | 2 | 65.5 Ų | 65.5 | 1% | 0.01 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -52.4 | -49.9 | 176.1 | -61.8 | -177.7 | 0 | 0 | 0 | 112.6 | D1070 S1072 F1073 L1076 I1136 L1137 F1138 F1142 F1178 | D1070-I1134 PolarHBondContact OD2-N 3.41Å; S1072-I1134 WeakPolarHBondContact OG-CD1 3.24Å; F1073-I1134 HydrophobicContact CB-CG1 3.76Å; F1073-I1134 HydrophobicContact CD2-CG1 4.29Å; L1076-I1134 HydrophobicContact CD2-CD1 4.33Å; L1076-I1134 HydrophobicContact CD2-CG1 4.36Å; L1076-I1134 HydrophobicContact CD2-CG2 4.26Å; I1134-I1136 PolarHBondContact O-N 2.88Å; I1134-L1137 PolarHBondContact O-N 3.41Å; I1134-F1138 HydrophobicContact CG2-CD2 4.16Å; I1134-F1138 PolarHBondContact O-N 3Å; I1134-F1142 HydrophobicContact CG2-CB 3.59Å; I1134-F1142 HydrophobicContact CG2-CD2 3.43Å; I1134-F1142 VanDerWaalsContact CG2-CD2 3.43Å; I1134-F1142 HydrophobicContact CG2-CE2 4.3Å; I1134-F1142 HydrophobicContact CG2-CG 3.69Å; I1134-F1178 HydrophobicContact CD1-CE2 3.98Å; I1134-F1178 HydrophobicContact CD1-CZ 4.43Å |
| 1135 | P | 71.4 | Confident | 61.1 | Low | 17 Ų | 17 | 62 Ų | 62 | 11% | 0.11 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -63.2 | -24.3 | 178.3 | -21.5 | 32.3 | 0 | 0 | 0 | 114.2 | L1132 P1139 F1142 L1144 L1147 | L1132-P1135 VanDerWaalsContact CB-CD 3.5Å; L1132-P1135 HydrophobicContact CB-CG 3.96Å; L1132-P1135 WeakPolarHBondContact O-CD 3.26Å; P1135-P1139 WeakPolarHBondContact O-CA 3.32Å; P1135-P1139 WeakPolarHBondContact O-CB 3.45Å; P1135-F1142 WeakPolarHBondContact CA-O 3.34Å; P1135-F1142 VanDerWaalsContact CB-O 3.26Å; P1135-F1142 WeakPolarHBondContact CB-O 3.43Å; P1135-F1142 WeakPolarHBondContact CG-O 3.08Å; P1135-L1144 HydrophobicContact CB-CG 4.4Å; P1135-L1144 HydrophobicContact CG-CD2 3.93Å; P1135-L1144 HydrophobicContact CG-CG 4.2Å; P1135-L1147 HydrophobicContact CG-CD1 4.43Å |
| 1136 | I | 69.4 | Low | 62.8 | Low | 84 Ų | 84 | 61.9 Ų | 61.9 | 43% | 0.431 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -70.6 | -42.6 | 178.1 | -56.6 | 179 | 0 | 0 | 0 | 109.7 | Q962 V965 L1133 I1134 | Q962-I1136 HydrophobicContact CG-CD1 4.29Å; V965-I1136 HydrophobicContact CG1-CB 4.48Å; V965-I1136 HydrophobicContact CG1-CG2 4.08Å; L1133-I1136 HydrophobicContact CD2-CD1 3.78Å; L1133-I1136 WeakPolarHBondContact O-CB 3.43Å; L1133-I1136 PolarHBondContact O-N 3.44Å; I1134-I1136 PolarHBondContact O-N 2.88Å |
| 1137 | L | 69.6 | Low | 64.2 | Low | 9 Ų | 9 | 54.6 Ų | 54.6 | 5% | 0.047 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -78.9 | -37.2 | -179.3 | -167.5 | 68.8 | 0 | 0 | 0 | 112.1 | I879 V965 W969 L972 F1073 L1133 I1134 P1139 | I879-L1137 HydrophobicContact CD1-CD1 4.5Å; I879-L1137 HydrophobicContact CD1-CD2 4.36Å; I879-L1137 HydrophobicContact CD1-CG 4.04Å; I879-L1137 VanDerWaalsContact CG1-O 3.28Å; I879-L1137 WeakPolarHBondContact CG1-O 3.5Å; V965-L1137 HydrophobicContact CG1-CB 4.07Å; V965-L1137 HydrophobicContact CG1-CD1 3.9Å; W969-L1137 HydrophobicContact CB-CD1 3.56Å; W969-L1137 VanDerWaalsContact CD1-CD1 3.49Å; W969-L1137 HydrophobicContact CG-CD1 3.92Å; L972-L1137 HydrophobicContact CD1-CD2 3.76Å; F1073-L1137 HydrophobicContact CE2-CB 3.99Å; F1073-L1137 HydrophobicContact CE2-CD2 3.58Å; F1073-L1137 HydrophobicContact CE2-CG 4.34Å; F1073-L1137 HydrophobicContact CZ-CD2 4.24Å; L1133-L1137 PolarHBondContact O-N 3.15Å; I1134-L1137 PolarHBondContact O-N 3.41Å; L1137-P1139 VanDerWaalsContact O-CD 3.27Å; L1137-P1139 WeakPolarHBondContact O-CD 3.17Å |
| 1138 | F | 74 | Confident | 65.4 | Low | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 25% | 0.246 | C | C | . | . | trans | -122.9 | 60.1 | -173.1 | -58.2 | -77.4 | 0 | 0 | 0 | 111.7 | L877 I879 L1076 L1080 I1134 K1140 E1141 F1142 | L877-F1138 HydrophobicContact CB-CD1 3.44Å; L877-F1138 VanDerWaalsContact CB-CD1 3.44Å; L877-F1138 HydrophobicContact CB-CE1 3.47Å; L877-F1138 VanDerWaalsContact CB-CE1 3.47Å; L877-F1138 HydrophobicContact CB-CG 4.46Å; L877-F1138 HydrophobicContact CD1-CD1 4.18Å; L877-F1138 HydrophobicContact CD1-CE1 3.48Å; L877-F1138 VanDerWaalsContact CD1-CE1 3.48Å; L877-F1138 HydrophobicContact CD1-CZ 3.82Å; L877-F1138 HydrophobicContact CG-CD1 4.42Å; L877-F1138 HydrophobicContact CG-CE1 4.14Å; L877-F1138 WeakPolarHBondContact O-CD1 3.38Å; I879-F1138 HydrophobicContact CD1-CD1 3.6Å; I879-F1138 HydrophobicContact CD1-CE1 3.11Å; I879-F1138 HydrophobicContact CD1-CZ 3.8Å; I879-F1138 HydrophobicContact CG1-CD1 3.46Å; I879-F1138 VanDerWaalsContact CG1-CD1 3.46Å; I879-F1138 HydrophobicContact CG1-CE1 3.57Å; I879-F1138 HydrophobicContact CG1-CG 4.42Å; L1076-F1138 HydrophobicContact CD2-CD2 4.01Å; L1076-F1138 HydrophobicContact CD2-CE2 3.45Å; L1076-F1138 VanDerWaalsContact CD2-CE2 3.45Å; L1076-F1138 HydrophobicContact CD2-CZ 4.22Å; L1076-F1138 HydrophobicContact CG-CE2 4.32Å; L1080-F1138 HydrophobicContact CD1-CZ 4.19Å; I1134-F1138 HydrophobicContact CG2-CD2 4.16Å; I1134-F1138 PolarHBondContact O-N 3Å; F1138-K1140 PolarHBondContact O-N 3.31Å; F1138-E1141 PolarHBondContact O-N 3.23Å; F1138-F1142 HydrophobicContact CB-CB 4.14Å; F1138-F1142 HydrophobicContact CB-CD2 3.43Å; F1138-F1142 VanDerWaalsContact CB-CD2 3.43Å; F1138-F1142 HydrophobicContact CB-CE2 4.24Å; F1138-F1142 HydrophobicContact CB-CG 4.18Å; F1138-F1142 AromaticContact CD2-CD2 3.84Å; F1138-F1142 HydrophobicContact CD2-CD2 3.84Å; F1138-F1142 HydrophobicContact CD2-CE2 4.22Å; F1138-F1142 AromaticContact CG-CD2 3.74Å; F1138-F1142 HydrophobicContact CG-CD2 3.74Å; F1138-F1142 HydrophobicContact CG-CE2 4.16Å; F1138-F1142 WeakPolarHBondContact O-CA 3.38Å; F1138-F1142 PolarHBondContact O-N 3.08Å | ||
| 1139 | P | 65.2 | Low | 65.9 | Low | 47 Ų | 47 | 44 Ų | 44 | 31% | 0.305 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -29.3 | -169 | 26.3 | -35.5 | 0 | 0 | 0 | 112.7 | I882 P1135 L1137 S1143 | I882-P1139 HydrophobicContact CB-CG 4.45Å; I882-P1139 HydrophobicContact CD1-CG 4.13Å; I882-P1139 HydrophobicContact CG2-CG 3.87Å; P1135-P1139 WeakPolarHBondContact O-CA 3.32Å; P1135-P1139 WeakPolarHBondContact O-CB 3.45Å; L1137-P1139 VanDerWaalsContact O-CD 3.27Å; L1137-P1139 WeakPolarHBondContact O-CD 3.17Å; P1139-S1143 WeakPolarHBondContact O-CA 3.47Å; P1139-S1143 WeakPolarHBondContact O-CB 3.48Å; P1139-S1143 PolarHBondContact O-N 3.24Å |
| 1140 | K | 68 | Low | 65.9 | Low | 100 Ų | 100 | 44.7 Ų | 44.7 | 44% | 0.435 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -44 | 179.9 | -92.2 | -179.3 | -175.1 | 172.4 | 0 | 113.3 | I882 F1138 K1146 | I882-K1140 HydrophobicContact CD1-CB 4.32Å; I882-K1140 HydrophobicContact CD1-CD 3.47Å; I882-K1140 VanDerWaalsContact CD1-CD 3.47Å; I882-K1140 HydrophobicContact CD1-CG 3.51Å; F1138-K1140 PolarHBondContact O-N 3.31Å; K1140-K1146 VanDerWaalsContact O-CD 3.26Å; K1140-K1146 WeakPolarHBondContact O-CD 3.45Å; K1140-K1146 VanDerWaalsContact O-CE 3.27Å; K1140-K1146 WeakPolarHBondContact O-CE 3.49Å; K1140-K1146 PolarHBondContact O-NZ 3Å |
| 1141 | E | 69 | Low | 65.6 | Low | 53 Ų | 53 | 44 Ų | 44 | 25% | 0.248 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | -32.8 | -169.2 | -62 | -64.8 | 174.1 | 0 | 0 | 112.3 | L877 F1138 K1181 | L877-E1141 WeakPolarHBondContact O-CB 3.33Å; L877-E1141 VanDerWaalsContact O-CG 3.25Å; L877-E1141 WeakPolarHBondContact O-CG 3.35Å; F1138-E1141 PolarHBondContact O-N 3.23Å; E1141-K1181 HydrophobicContact CB-CD 4.22Å; E1141-K1181 HydrophobicContact CB-CG 4.29Å; E1141-K1181 HydrophobicContact CG-CD 4.28Å; E1141-K1181 IonicContact OE1-NZ 3.34Å; E1141-K1181 PolarHBondContact OE1-NZ 3.05Å; E1141-K1181 VanDerWaalsContact OE2-CE 3.25Å; E1141-K1181 WeakPolarHBondContact OE2-CE 3.38Å; E1141-K1181 IonicContact OE2-NZ 2.85Å; E1141-K1181 PolarHBondContact OE2-NZ 2.83Å |
| 1142 | F | 73.8 | Confident | 64.7 | Low | 2 Ų | 2 | 46.1 Ų | 46.1 | 1% | 0.009 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -112.3 | 28.9 | 179 | -57.2 | -46.6 | 0 | 0 | 0 | 111.6 | L877 L1076 I1134 P1135 F1138 L1147 F1178 K1181 | L877-F1142 HydrophobicContact CD2-CE2 3.74Å; L877-F1142 HydrophobicContact CD2-CZ 3.72Å; L1076-F1142 HydrophobicContact CD2-CE2 4.33Å; I1134-F1142 HydrophobicContact CG2-CB 3.59Å; I1134-F1142 HydrophobicContact CG2-CD2 3.43Å; I1134-F1142 VanDerWaalsContact CG2-CD2 3.43Å; I1134-F1142 HydrophobicContact CG2-CE2 4.3Å; I1134-F1142 HydrophobicContact CG2-CG 3.69Å; P1135-F1142 WeakPolarHBondContact CA-O 3.34Å; P1135-F1142 VanDerWaalsContact CB-O 3.26Å; P1135-F1142 WeakPolarHBondContact CB-O 3.43Å; P1135-F1142 WeakPolarHBondContact CG-O 3.08Å; F1138-F1142 HydrophobicContact CB-CB 4.14Å; F1138-F1142 HydrophobicContact CB-CD2 3.43Å; F1138-F1142 VanDerWaalsContact CB-CD2 3.43Å; F1138-F1142 HydrophobicContact CB-CE2 4.24Å; F1138-F1142 HydrophobicContact CB-CG 4.18Å; F1138-F1142 AromaticContact CD2-CD2 3.84Å; F1138-F1142 HydrophobicContact CD2-CD2 3.84Å; F1138-F1142 HydrophobicContact CD2-CE2 4.22Å; F1138-F1142 AromaticContact CG-CD2 3.74Å; F1138-F1142 HydrophobicContact CG-CD2 3.74Å; F1138-F1142 HydrophobicContact CG-CE2 4.16Å; F1138-F1142 WeakPolarHBondContact O-CA 3.38Å; F1138-F1142 PolarHBondContact O-N 3.08Å; F1142-L1147 HydrophobicContact CB-CD1 4.03Å; F1142-L1147 HydrophobicContact CB-CG 4.43Å; F1142-L1147 HydrophobicContact CD1-CD2 4.23Å; F1142-L1147 VanDerWaalsContact O-CD1 3.23Å; F1142-L1147 WeakPolarHBondContact O-CD1 3.24Å; F1142-F1178 HydrophobicContact CD1-CD2 4.13Å; F1142-F1178 AromaticContact CE1-CD2 3.65Å; F1142-F1178 HydrophobicContact CE1-CD2 3.65Å; F1142-F1178 HydrophobicContact CE1-CE2 4.2Å; F1142-F1178 HydrophobicContact CE2-CD2 4.49Å; F1142-F1178 HydrophobicContact CE2-CE2 4.25Å; F1142-F1178 AromaticContact CZ-CD2 3.86Å; F1142-F1178 HydrophobicContact CZ-CD2 3.86Å; F1142-F1178 AromaticContact CZ-CE2 3.96Å; F1142-F1178 HydrophobicContact CZ-CE2 3.96Å; F1142-K1181 HydrophobicContact CE1-CB 3.75Å; F1142-K1181 HydrophobicContact CE1-CG 3.96Å; F1142-K1181 HydrophobicContact CZ-CB 3.96Å; F1142-K1181 HydrophobicContact CZ-CG 3.95Å |
| 1143 | S | 68.9 | Low | 63.4 | Low | 23 Ų | 23 | 50.2 Ų | 50.2 | 16% | 0.161 | 27% | 0.274 | C | S | . | . | trans | -52.7 | 143.8 | 167.3 | 52.4 | 0 | 0 | 0 | 0 | 110.1 | P1139 S1145 K1146 L1147 | P1139-S1143 WeakPolarHBondContact O-CA 3.47Å; P1139-S1143 WeakPolarHBondContact O-CB 3.48Å; P1139-S1143 PolarHBondContact O-N 3.24Å; S1143-S1145 PolarHBondContact O-N 3.47Å; S1143-S1145 VanDerWaalsContact O-N 3.16Å; S1143-S1145 PolarHBondContact OG-OG 3.45Å; S1143-K1146 PolarHBondContact O-N 3.16Å; S1143-K1146 VanDerWaalsContact OG-CB 3.25Å; S1143-K1146 WeakPolarHBondContact OG-CB 3.42Å; S1143-K1146 VanDerWaalsContact OG-CG 3.25Å; S1143-K1146 WeakPolarHBondContact OG-CG 3.47Å; S1143-K1146 PolarHBondContact OG-N 3.08Å; S1143-L1147 PolarHBondContact O-N 3.11Å | ||
| 1144 | L | 65 | Low | 61.7 | Low | 69 Ų | 69 | 55.4 Ų | 55.4 | 36% | 0.361 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -53 | -37.3 | 174.6 | -64.9 | 169.2 | 0 | 0 | 0 | 111.6 | P1135 F1148 | P1135-L1144 HydrophobicContact CB-CG 4.4Å; P1135-L1144 HydrophobicContact CG-CD2 3.93Å; P1135-L1144 HydrophobicContact CG-CG 4.2Å; L1144-F1148 HydrophobicContact CB-CD2 4.08Å; L1144-F1148 HydrophobicContact CB-CE2 4.49Å; L1144-F1148 HydrophobicContact CD2-CD2 3.95Å; L1144-F1148 HydrophobicContact CD2-CE2 3.48Å; L1144-F1148 VanDerWaalsContact CD2-CE2 3.48Å; L1144-F1148 WeakPolarHBondContact O-CB 3.4Å; L1144-F1148 VanDerWaalsContact O-CD2 3.28Å; L1144-F1148 WeakPolarHBondContact O-CD2 3.34Å; L1144-F1148 WeakPolarHBondContact O-CG 3.27Å; L1144-F1148 PolarHBondContact O-N 3.25Å |
| 1145 | S | 64.6 | Low | 59.7 | Low | 74 Ų | 74 | 61 Ų | 61 | 52% | 0.517 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -64.7 | -42.8 | 176.8 | 54.9 | 0 | 0 | 0 | 0 | 113.5 | S1143 C1149 | S1143-S1145 PolarHBondContact O-N 3.47Å; S1143-S1145 VanDerWaalsContact O-N 3.16Å; S1143-S1145 PolarHBondContact OG-OG 3.45Å; S1145-C1149 WeakPolarHBondContact O-CA 3.44Å; S1145-C1149 PolarHBondContact O-N 2.82Å |
| 1146 | K | 66.8 | Low | 57.9 | Low | 106 Ų | 106 | 66.9 Ų | 66.9 | 46% | 0.461 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -74.1 | -36.2 | 176.7 | -73.1 | -178.6 | 177.8 | -177.3 | 0 | 113.8 | K1140 S1143 | K1140-K1146 VanDerWaalsContact O-CD 3.26Å; K1140-K1146 WeakPolarHBondContact O-CD 3.45Å; K1140-K1146 VanDerWaalsContact O-CE 3.27Å; K1140-K1146 WeakPolarHBondContact O-CE 3.49Å; K1140-K1146 PolarHBondContact O-NZ 3Å; S1143-K1146 PolarHBondContact O-N 3.16Å; S1143-K1146 VanDerWaalsContact OG-CB 3.25Å; S1143-K1146 WeakPolarHBondContact OG-CB 3.42Å; S1143-K1146 VanDerWaalsContact OG-CG 3.25Å; S1143-K1146 WeakPolarHBondContact OG-CG 3.47Å; S1143-K1146 PolarHBondContact OG-N 3.08Å |
| 1147 | L | 62.8 | Low | 56.1 | Low | 5 Ų | 5 | 66.4 Ų | 66.4 | 3% | 0.026 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -67.4 | -46.7 | 175 | -78.3 | 168.4 | 0 | 0 | 0 | 110 | L1102 P1135 F1142 S1143 V1174 | L1102-L1147 HydrophobicContact CD2-CD2 4.35Å; P1135-L1147 HydrophobicContact CG-CD1 4.43Å; F1142-L1147 HydrophobicContact CB-CD1 4.03Å; F1142-L1147 HydrophobicContact CB-CG 4.43Å; F1142-L1147 HydrophobicContact CD1-CD2 4.23Å; F1142-L1147 VanDerWaalsContact O-CD1 3.23Å; F1142-L1147 WeakPolarHBondContact O-CD1 3.24Å; S1143-L1147 PolarHBondContact O-N 3.11Å; L1147-V1174 HydrophobicContact CB-CG1 4.36Å; L1147-V1174 HydrophobicContact CD2-CG1 3.84Å; L1147-V1174 WeakPolarHBondContact O-CG2 3.49Å |
| 1148 | F | 61.3 | Low | 54.4 | Low | 15 Ų | 15 | 73.6 Ų | 73.6 | 7% | 0.066 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -97.5 | -6.1 | -170.7 | -61.2 | -53.6 | 0 | 0 | 0 | 115.6 | T1106 L1132 L1144 L1150 L1169 V1174 | T1106-F1148 HydrophobicContact CG2-CE1 3.46Å; T1106-F1148 VanDerWaalsContact CG2-CE1 3.46Å; T1106-F1148 HydrophobicContact CG2-CZ 3.97Å; L1132-F1148 HydrophobicContact CD1-CZ 4.2Å; L1144-F1148 HydrophobicContact CB-CD2 4.08Å; L1144-F1148 HydrophobicContact CB-CE2 4.49Å; L1144-F1148 HydrophobicContact CD2-CD2 3.95Å; L1144-F1148 HydrophobicContact CD2-CE2 3.48Å; L1144-F1148 VanDerWaalsContact CD2-CE2 3.48Å; L1144-F1148 WeakPolarHBondContact O-CB 3.4Å; L1144-F1148 VanDerWaalsContact O-CD2 3.28Å; L1144-F1148 WeakPolarHBondContact O-CD2 3.34Å; L1144-F1148 WeakPolarHBondContact O-CG 3.27Å; L1144-F1148 PolarHBondContact O-N 3.25Å; F1148-L1150 HydrophobicContact CB-CD2 4.04Å; F1148-L1150 HydrophobicContact CB-CG 3.96Å; F1148-L1150 PolarHBondContact O-N 3.38Å; F1148-L1150 VanDerWaalsContact O-N 3.09Å; F1148-L1169 HydrophobicContact CB-CD1 4.06Å; F1148-L1169 HydrophobicContact CB-CD2 4.41Å; F1148-L1169 HydrophobicContact CD1-CD1 3.54Å; F1148-L1169 HydrophobicContact CD1-CD2 3.28Å; F1148-L1169 HydrophobicContact CD1-CG 4.04Å; F1148-L1169 HydrophobicContact CE1-CD1 4.43Å; F1148-L1169 HydrophobicContact CE1-CD2 3.64Å; F1148-L1169 HydrophobicContact CG-CD1 4.3Å; F1148-L1169 HydrophobicContact CG-CD2 4.1Å; F1148-V1174 HydrophobicContact CD1-CG2 4.01Å; F1148-V1174 HydrophobicContact CE1-CG2 4.19Å |
| 1149 | C | 53.6 | Low | 52.6 | Low | 46 Ų | 46 | 77.1 Ų | 77.1 | 31% | 0.311 | 46% | 0.455 | S | S | . | . | trans | 43 | 44.2 | -177.7 | -74.2 | 0 | 0 | 0 | 0 | 112.8 | S1145 S1151 | S1145-C1149 WeakPolarHBondContact O-CA 3.44Å; S1145-C1149 PolarHBondContact O-N 2.82Å; C1149-S1151 PolarHBondContact O-N 3.47Å | ||
| 1150 | L | 48.2 | Very low | 51.2 | Low | 88 Ų | 88 | 83 Ų | 83 | 46% | 0.461 | 48% | 0.484 | S | S | . | . | trans | -61.4 | 119.8 | 177.4 | -56.1 | 171.2 | 0 | 0 | 0 | 107.8 | F1148 E1152 L1167 | F1148-L1150 HydrophobicContact CB-CD2 4.04Å; F1148-L1150 HydrophobicContact CB-CG 3.96Å; F1148-L1150 PolarHBondContact O-N 3.38Å; F1148-L1150 VanDerWaalsContact O-N 3.09Å; L1150-E1152 PolarHBondContact O-N 3.13Å; L1150-L1167 HydrophobicContact CD2-CD2 3.25Å; L1150-L1167 HydrophobicContact CG-CD2 4.44Å | ||
| 1151 | S | 43.6 | Very low | 49.6 | Very low | 39 Ų | 39 | 83.1 Ų | 83.1 | 27% | 0.273 | 50% | 0.498 | S | S | . | . | trans | -59.1 | 133.2 | -176.6 | 56.5 | 0 | 0 | 0 | 0 | 111.4 | C1149 S1153 I1154 | C1149-S1151 PolarHBondContact O-N 3.47Å; S1151-S1153 PolarHBondContact O-N 3.44Å; S1151-S1153 PolarHBondContact OG-OG 3.46Å; S1151-I1154 PolarHBondContact O-N 2.99Å | ||
| 1152 | E | 42.3 | Very low | 47.9 | Very low | 174 Ų | 174 | 91.6 Ų | 91.6 | 81% | 0.813 | 53% | 0.528 | S | S | * | . | G | 310 helix | trans | -56.6 | -17.7 | -178.9 | -73.5 | -178.1 | 159.8 | 0 | 0 | 114.2 | L1150 I1154 V1155 | L1150-E1152 PolarHBondContact O-N 3.13Å; E1152-I1154 PolarHBondContact O-N 3.28Å; E1152-V1155 PolarHBondContact O-N 2.85Å; E1152-V1155 VanDerWaalsContact O-N 3.11Å |
| 1153 | S | 42 | Very low | 46.2 | Very low | 99 Ų | 99 | 97.9 Ų | 97.9 | 69% | 0.692 | 56% | 0.561 | S | S | * | * | G | 310 helix | trans | -62.9 | -11.5 | -179.3 | 62.2 | 0 | 0 | 0 | 0 | 114.9 | S1151 | S1151-S1153 PolarHBondContact O-N 3.44Å; S1151-S1153 PolarHBondContact OG-OG 3.46Å |
| 1154 | I | 37.9 | Very low | 44.9 | Very low | 111 Ų | 111 | 102.2 Ų | 102.2 | 57% | 0.569 | 59% | 0.587 | S | S | * | * | G | 310 helix | trans | -87.3 | -13.5 | 178 | -59.8 | 176.5 | 0 | 0 | 0 | 112 | S1151 E1152 L1167 | S1151-I1154 PolarHBondContact O-N 2.99Å; E1152-I1154 PolarHBondContact O-N 3.28Å; I1154-L1167 HydrophobicContact CD1-CD2 4.12Å; I1154-L1167 HydrophobicContact CD1-CG 4.26Å |
| 1155 | V | 37.3 | Very low | 43.7 | Very low | 120 Ų | 120 | 105.5 Ų | 105.5 | 73% | 0.727 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.7 | -21 | -173.2 | -176.8 | 0 | 0 | 0 | 0 | 113.5 | E1152 G1157 | E1152-V1155 PolarHBondContact O-N 2.85Å; E1152-V1155 VanDerWaalsContact O-N 3.11Å; V1155-G1157 PolarHBondContact O-N 2.87Å |
| 1156 | N | 33.3 | Very low | 42.9 | Very low | 141 Ų | 141 | 104 Ų | 104 | 75% | 0.754 | 60% | 0.601 | S | S | * | * | S | Bend | trans | -93.8 | 101.3 | 178.9 | -68.1 | -12.8 | 0 | 0 | 0 | 109.7 | D1158 | N1156-D1158 PolarHBondContact O-N 2.9Å; N1156-D1158 VanDerWaalsContact O-N 3.16Å |
| 1157 | G | 30 | Very low | 42.1 | Very low | 74 Ų | 74 | 102.3 Ų | 102.3 | 76% | 0.763 | 60% | 0.597 | S | S | * | * | trans | -62.4 | 110.7 | 180 | 0 | 0 | 0 | 0 | 0 | 112.1 | V1155 | V1155-G1157 PolarHBondContact O-N 2.87Š| ||
| 1158 | D | 35 | Very low | 42 | Very low | 159 Ų | 159 | 103.2 Ų | 103.2 | 85% | 0.85 | 60% | 0.604 | S | S | * | * | trans | -132.1 | 110.4 | 146.6 | -92.3 | -32.2 | 0 | 0 | 0 | 107.2 | N1156 N1160 | N1156-D1158 PolarHBondContact O-N 2.9Å; N1156-D1158 VanDerWaalsContact O-N 3.16Å; D1158-N1160 PolarHBondContact O-N 3.1Å; D1158-N1160 VanDerWaalsContact O-N 3.15Å | ||
| 1159 | G | 35.8 | Very low | 42.3 | Very low | 74 Ų | 74 | 103.1 Ų | 103.1 | 76% | 0.763 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67 | 110.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 1160 | N | 35.9 | Very low | 43.2 | Very low | 170 Ų | 170 | 101.6 Ų | 101.6 | 91% | 0.909 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 173.1 | 14.8 | 131.4 | -94.2 | -19 | 0 | 0 | 0 | 116.6 | D1158 | D1158-N1160 PolarHBondContact O-N 3.1Å; D1158-N1160 VanDerWaalsContact O-N 3.15Å |
| 1161 | S | 34.3 | Very low | 44.7 | Very low | 104 Ų | 104 | 98 Ų | 98 | 73% | 0.727 | 58% | 0.575 | S | S | * | * | trans | -114.8 | 85.9 | 169.9 | 62.9 | 0 | 0 | 0 | 0 | 112.3 | N1163 | S1161-N1163 PolarHBondContact O-N 3.09Š| ||
| 1162 | R | 33.8 | Very low | 46.5 | Very low | 231 Ų | 231 | 97.2 Ų | 97.2 | 87% | 0.872 | 57% | 0.568 | S | S | * | * | trans | -70.8 | 60.4 | 167.2 | -81.4 | -177.1 | 172.5 | 168.3 | -2 | 111.5 | ||||
| 1163 | N | 38.4 | Very low | 48.3 | Very low | 133 Ų | 133 | 89 Ų | 89 | 71% | 0.711 | 53% | 0.53 | S | S | * | . | trans | -100.7 | 88.9 | 166 | -83.8 | -2.4 | 0 | 0 | 0 | 108.9 | S1161 N1165 | S1161-N1163 PolarHBondContact O-N 3.09Å; N1163-N1165 PolarHBondContact O-N 3.16Å | ||
| 1164 | T | 40.9 | Very low | 50.2 | Low | 114 Ų | 114 | 84.3 Ų | 84.3 | 70% | 0.699 | 50% | 0.497 | S | S | * | . | G | 310 helix | trans | -66.4 | 2.9 | 171.7 | 44.6 | 0 | 0 | 0 | 0 | 113.7 | G1166 | T1164-G1166 PolarHBondContact O-N 3.2Å; T1164-G1166 VanDerWaalsContact O-N 3.11Å |
| 1165 | N | 40.1 | Very low | 52.5 | Low | 138 Ų | 138 | 79.2 Ų | 79.2 | 74% | 0.738 | 47% | 0.471 | S | S | * | . | G | 310 helix | trans | -74.6 | 8.4 | 179.9 | -67.4 | -0.7 | 0 | 0 | 0 | 114.3 | N1163 | N1163-N1165 PolarHBondContact O-N 3.16Š|
| 1166 | G | 47 | Very low | 54.7 | Low | 43 Ų | 43 | 73.6 Ų | 73.6 | 44% | 0.443 | 44% | 0.437 | S | S | . | . | G | 310 helix | trans | -90.9 | -8.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | T1164 S1168 | T1164-G1166 PolarHBondContact O-N 3.2Å; T1164-G1166 VanDerWaalsContact O-N 3.11Å; G1166-S1168 PolarHBondContact O-N 2.89Å; G1166-S1168 VanDerWaalsContact O-N 3.15Å |
| 1167 | L | 51.4 | Low | 57.2 | Low | 71 Ų | 71 | 70.8 Ų | 70.8 | 37% | 0.372 | 42% | 0.415 | S | S | . | . | trans | -85.9 | 84.2 | -176.7 | -72.9 | 166 | 0 | 0 | 0 | 111.1 | L1150 I1154 L1169 | L1150-L1167 HydrophobicContact CD2-CD2 3.25Å; L1150-L1167 HydrophobicContact CG-CD2 4.44Å; I1154-L1167 HydrophobicContact CD1-CD2 4.12Å; I1154-L1167 HydrophobicContact CD1-CG 4.26Å; L1167-L1169 PolarHBondContact O-N 3.36Å | ||
| 1168 | S | 59.9 | Low | 59.9 | Low | 23 Ų | 23 | 67.3 Ų | 67.3 | 16% | 0.161 | 38% | 0.379 | C | S | . | . | trans | -92.2 | 89.7 | 173.5 | 81 | 0 | 0 | 0 | 0 | 110.7 | G1166 P1273 R1280 | G1166-S1168 PolarHBondContact O-N 2.89Å; G1166-S1168 VanDerWaalsContact O-N 3.15Å; S1168-P1273 PolarHBondContact OG-O 2.96Å; S1168-R1280 PolarHBondContact O-NH2 3.27Å; S1168-R1280 PolarHBondContact OG-NH2 3.23Å; S1168-R1280 VanDerWaalsContact OG-NH2 3.07Å | ||
| 1169 | L | 66.6 | Low | 62.6 | Low | 13 Ų | 13 | 59.8 Ų | 59.8 | 7% | 0.068 | 34% | 0.339 | C | S | . | . | trans | -106.6 | 125.4 | 178.4 | 172 | 63.5 | 0 | 0 | 0 | 110.5 | F1109 M1110 F1148 L1167 V1174 | F1109-L1169 HydrophobicContact CD1-CD2 4.45Å; M1110-L1169 HydrophobicContact CE-CB 4.3Å; M1110-L1169 WeakPolarHBondContact CE-O 3.24Å; M1110-L1169 HydrophobicContact CG-CD2 4.21Å; M1110-L1169 HydrophobicContact CG-CG 4.45Å; M1110-L1169 HydrophobicContact SD-CB 3.66Å; M1110-L1169 HydrophobicContact SD-CD2 3.83Å; M1110-L1169 HydrophobicContact SD-CG 3.99Å; F1148-L1169 HydrophobicContact CB-CD1 4.06Å; F1148-L1169 HydrophobicContact CB-CD2 4.41Å; F1148-L1169 HydrophobicContact CD1-CD1 3.54Å; F1148-L1169 HydrophobicContact CD1-CD2 3.28Å; F1148-L1169 HydrophobicContact CD1-CG 4.04Å; F1148-L1169 HydrophobicContact CE1-CD1 4.43Å; F1148-L1169 HydrophobicContact CE1-CD2 3.64Å; F1148-L1169 HydrophobicContact CG-CD1 4.3Å; F1148-L1169 HydrophobicContact CG-CD2 4.1Å; L1167-L1169 PolarHBondContact O-N 3.36Å; L1169-V1174 HydrophobicContact CD1-CG2 3.72Å | ||
| 1170 | S | 74 | Confident | 65 | Low | 14 Ų | 14 | 57.4 Ų | 57.4 | 10% | 0.098 | 31% | 0.308 | C | S | . | . | trans | -103.5 | 119.5 | 173.7 | 174 | 0 | 0 | 0 | 0 | 110.7 | I1172 E1173 V1174 | S1170-I1172 PolarHBondContact O-N 3.08Å; S1170-I1172 PolarHBondContact OG-N 2.81Å; S1170-E1173 WeakPolarHBondContact O-CB 3.45Å; S1170-E1173 PolarHBondContact O-N 3.4Å; S1170-E1173 PolarHBondContact OG-N 3.07Å; S1170-V1174 PolarHBondContact O-N 3.19Å | ||
| 1171 | P | 79.6 | Confident | 67.4 | Low | 12 Ų | 12 | 51.6 Ų | 51.6 | 8% | 0.078 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -55.5 | -35.4 | 173.6 | -33.5 | 42.7 | 0 | 0 | 0 | 113.7 | Y1103 T1106 Q1107 M1110 V1174 Q1175 | Y1103-P1171 HydrophobicContact CD2-CB 3.63Å; Y1103-P1171 HydrophobicContact CE2-CB 3.48Å; Y1103-P1171 VanDerWaalsContact CE2-CB 3.48Å; Y1103-P1171 HydrophobicContact CG-CB 4.42Å; T1106-P1171 WeakPolarHBondContact OG1-CB 3.34Å; Q1107-P1171 HydrophobicContact CB-CB 4.45Å; Q1107-P1171 HydrophobicContact CB-CG 4.26Å; M1110-P1171 HydrophobicContact CG-CG 4.26Å; P1171-V1174 PolarHBondContact O-N 3.41Å; P1171-Q1175 PolarHBondContact O-N 3.46Å; P1171-Q1175 VanDerWaalsContact O-N 3.11Å |
| 1172 | I | 81.2 | Confident | 70 | Confident | 24 Ų | 24 | 46.7 Ų | 46.7 | 12% | 0.123 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.2 | -41.6 | 174.5 | -69.7 | 103.7 | 0 | 0 | 0 | 111.3 | Y1103 S1170 V1174 Q1175 I1176 L1206 T1209 | Y1103-I1172 HydrophobicContact CD2-CG1 4.46Å; Y1103-I1172 HydrophobicContact CE2-CD1 3.88Å; Y1103-I1172 HydrophobicContact CE2-CG1 3.74Å; S1170-I1172 PolarHBondContact O-N 3.08Å; S1170-I1172 PolarHBondContact OG-N 2.81Å; I1172-V1174 VanDerWaalsContact C-N 3.31Å; I1172-V1174 PolarHBondContact O-N 3.33Å; I1172-Q1175 PolarHBondContact O-N 3.45Å; I1172-I1176 HydrophobicContact CG2-CD1 3.54Å; I1172-I1176 HydrophobicContact CG2-CG1 4.27Å; I1172-I1176 WeakPolarHBondContact O-CG1 2.91Å; I1172-I1176 PolarHBondContact O-N 3.24Å; I1172-L1206 HydrophobicContact CG2-CD2 4.44Å; I1172-T1209 HydrophobicContact CB-CG2 4.15Å; I1172-T1209 HydrophobicContact CD1-CG2 3.32Å; I1172-T1209 HydrophobicContact CG1-CG2 3.41Å; I1172-T1209 VanDerWaalsContact CG1-CG2 3.41Å; I1172-T1209 HydrophobicContact CG2-CG2 4.06Å |
| 1173 | E | 80 | Confident | 72.7 | Confident | 2 Ų | 2 | 35.7 Ų | 35.7 | 1% | 0.009 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59.1 | -44.7 | 177.8 | -169.9 | -173.7 | 167.6 | 0 | 0 | 110.9 | S1170 Q1175 I1176 R1177 R1280 L1281 L1284 | S1170-E1173 WeakPolarHBondContact O-CB 3.45Å; S1170-E1173 PolarHBondContact O-N 3.4Å; S1170-E1173 PolarHBondContact OG-N 3.07Å; E1173-Q1175 PolarHBondContact O-N 2.99Å; E1173-I1176 PolarHBondContact O-N 3.02Å; E1173-R1177 WeakPolarHBondContact O-CB 3.12Å; E1173-R1177 WeakPolarHBondContact O-CG 3.27Å; E1173-R1177 PolarHBondContact O-N 2.97Å; E1173-R1177 IonicContact OE1-CZ 3.16Å; E1173-R1177 VanDerWaalsContact OE1-CZ 3.26Å; E1173-R1177 IonicContact OE1-NE 3.07Å; E1173-R1177 PolarHBondContact OE1-NE 3.32Å; E1173-R1177 IonicContact OE1-NH2 3.95Å; E1173-R1177 PolarHBondContact OE1-NH2 3.11Å; E1173-R1280 IonicContact OE1-NH1 3.61Å; E1173-R1280 IonicContact OE2-CZ 3.85Å; E1173-R1280 IonicContact OE2-NH1 2.72Å; E1173-R1280 PolarHBondContact OE2-NH1 3.02Å; E1173-R1280 VanDerWaalsContact OE2-NH1 3.16Å; E1173-L1281 HydrophobicContact CB-CD2 4.18Å; E1173-L1284 HydrophobicContact CG-CD1 3.73Å |
| 1174 | V | 81.8 | Confident | 75 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61 | -46.8 | 178.1 | -174.3 | 0 | 0 | 0 | 0 | 111 | L1102 T1106 L1147 F1148 L1169 S1170 P1171 I1172 I1176 R1177 F1178 | L1102-V1174 HydrophobicContact CD2-CG1 3.78Å; L1102-V1174 HydrophobicContact CG-CG1 3.96Å; T1106-V1174 HydrophobicContact CG2-CB 4.25Å; T1106-V1174 HydrophobicContact CG2-CG1 3.98Å; T1106-V1174 HydrophobicContact CG2-CG2 4.17Å; L1147-V1174 HydrophobicContact CB-CG1 4.36Å; L1147-V1174 HydrophobicContact CD2-CG1 3.84Å; L1147-V1174 WeakPolarHBondContact O-CG2 3.49Å; F1148-V1174 HydrophobicContact CD1-CG2 4.01Å; F1148-V1174 HydrophobicContact CE1-CG2 4.19Å; L1169-V1174 HydrophobicContact CD1-CG2 3.72Å; S1170-V1174 PolarHBondContact O-N 3.19Å; P1171-V1174 PolarHBondContact O-N 3.41Å; I1172-V1174 VanDerWaalsContact C-N 3.31Å; I1172-V1174 PolarHBondContact O-N 3.33Å; V1174-I1176 PolarHBondContact O-N 3.31Å; V1174-R1177 PolarHBondContact O-N 3.43Å; V1174-F1178 WeakPolarHBondContact O-CB 3.16Å; V1174-F1178 PolarHBondContact O-N 3.03Å |
| 1175 | Q | 85.8 | Confident | 77.2 | Confident | 4 Ų | 4 | 25 Ų | 25 | 2% | 0.019 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -59.6 | -45.8 | 180 | -170.4 | -179.7 | 15.8 | 0 | 0 | 111.9 | S1099 N1100 Y1103 P1171 I1172 E1173 F1178 L1179 | S1099-Q1175 PolarHBondContact OG-NE2 3.31Å; N1100-Q1175 PolarHBondContact OD1-NE2 2.93Å; Y1103-Q1175 HydrophobicContact CD2-CB 4.47Å; P1171-Q1175 PolarHBondContact O-N 3.46Å; P1171-Q1175 VanDerWaalsContact O-N 3.11Å; I1172-Q1175 PolarHBondContact O-N 3.45Å; E1173-Q1175 PolarHBondContact O-N 2.99Å; Q1175-F1178 PolarHBondContact O-N 3.02Å; Q1175-L1179 WeakPolarHBondContact O-CG 3.47Å; Q1175-L1179 PolarHBondContact O-N 3.07Å; Q1175-L1179 VanDerWaalsContact O-N 3.08Å |
| 1176 | I | 84.9 | Confident | 79.5 | Confident | 2 Ų | 2 | 18.4 Ų | 18.4 | 1% | 0.01 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -67.6 | -45.7 | -179.2 | -67.4 | 168 | 0 | 0 | 0 | 110.8 | I1172 E1173 V1174 F1178 L1179 M1180 C1202 L1206 L1284 L1288 | I1172-I1176 HydrophobicContact CG2-CD1 3.54Å; I1172-I1176 HydrophobicContact CG2-CG1 4.27Å; I1172-I1176 WeakPolarHBondContact O-CG1 2.91Å; I1172-I1176 PolarHBondContact O-N 3.24Å; E1173-I1176 PolarHBondContact O-N 3.02Å; V1174-I1176 PolarHBondContact O-N 3.31Å; I1176-F1178 VanDerWaalsContact C-N 3.29Å; I1176-F1178 PolarHBondContact O-N 2.9Å; I1176-L1179 PolarHBondContact O-N 2.75Å; I1176-M1180 HydrophobicContact CG2-CG 4.16Å; I1176-M1180 HydrophobicContact CG2-SD 3.84Å; I1176-M1180 WeakPolarHBondContact O-CB 2.94Å; I1176-M1180 VanDerWaalsContact O-CG 3.3Å; I1176-M1180 WeakPolarHBondContact O-CG 3.39Å; I1176-M1180 PolarHBondContact O-N 3.06Å; I1176-C1202 HydrophobicContact CG1-CB 4.37Å; I1176-C1202 HydrophobicContact CG2-CB 4.42Å; I1176-L1206 HydrophobicContact CD1-CD1 4.03Å; I1176-L1206 HydrophobicContact CD1-CD2 3.37Å; I1176-L1206 HydrophobicContact CD1-CG 3.43Å; I1176-L1206 VanDerWaalsContact CD1-CG 3.43Å; I1176-L1284 HydrophobicContact CG2-CB 4.42Å; I1176-L1284 HydrophobicContact CG2-CD1 4.3Å; I1176-L1288 HydrophobicContact CG2-CD1 4.03Å |
| 1177 | R | 84.1 | Confident | 81.3 | Confident | 81 Ų | 81 | 18.5 Ų | 18.5 | 31% | 0.306 | 9% | 0.093 | S | C | . | . | H | α-helix | trans | -60.3 | -41 | 178.1 | -73.7 | -177.7 | -176.3 | -75.6 | -2.1 | 111.7 | E1173 V1174 M1180 K1181 L1284 | E1173-R1177 WeakPolarHBondContact O-CB 3.12Å; E1173-R1177 WeakPolarHBondContact O-CG 3.27Å; E1173-R1177 PolarHBondContact O-N 2.97Å; E1173-R1177 IonicContact OE1-CZ 3.16Å; E1173-R1177 VanDerWaalsContact OE1-CZ 3.26Å; E1173-R1177 IonicContact OE1-NE 3.07Å; E1173-R1177 PolarHBondContact OE1-NE 3.32Å; E1173-R1177 IonicContact OE1-NH2 3.95Å; E1173-R1177 PolarHBondContact OE1-NH2 3.11Å; V1174-R1177 PolarHBondContact O-N 3.43Å; R1177-M1180 PolarHBondContact O-N 3.21Å; R1177-K1181 PolarHBondContact O-N 3.01Å; R1177-L1284 HydrophobicContact CG-CD1 4.22Å; R1177-L1284 HydrophobicContact CG-CD2 4.07Å |
| 1178 | F | 88 | Confident | 82.8 | Confident | 1 Ų | 1 | 18.3 Ų | 18.3 | 0% | 0.004 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -59.2 | -51.4 | 175 | 177.8 | -100.7 | 0 | 0 | 0 | 111.7 | L1076 A1098 L1102 I1134 F1142 V1174 Q1175 I1176 M1180 K1181 L1182 | L1076-F1178 HydrophobicContact CB-CZ 4.45Å; L1076-F1178 HydrophobicContact CD1-CZ 4.16Å; L1076-F1178 HydrophobicContact CD2-CE2 4.23Å; L1076-F1178 HydrophobicContact CD2-CZ 4.38Å; A1098-F1178 HydrophobicContact CB-CE1 3.91Å; A1098-F1178 HydrophobicContact CB-CZ 4.04Å; L1102-F1178 HydrophobicContact CD2-CB 3.79Å; L1102-F1178 HydrophobicContact CD2-CD1 4.41Å; L1102-F1178 HydrophobicContact CD2-CD2 3.84Å; L1102-F1178 HydrophobicContact CD2-CG 3.76Å; I1134-F1178 HydrophobicContact CD1-CE2 3.98Å; I1134-F1178 HydrophobicContact CD1-CZ 4.43Å; F1142-F1178 HydrophobicContact CD1-CD2 4.13Å; F1142-F1178 AromaticContact CE1-CD2 3.65Å; F1142-F1178 HydrophobicContact CE1-CD2 3.65Å; F1142-F1178 HydrophobicContact CE1-CE2 4.2Å; F1142-F1178 HydrophobicContact CE2-CD2 4.49Å; F1142-F1178 HydrophobicContact CE2-CE2 4.25Å; F1142-F1178 AromaticContact CZ-CD2 3.86Å; F1142-F1178 HydrophobicContact CZ-CD2 3.86Å; F1142-F1178 AromaticContact CZ-CE2 3.96Å; F1142-F1178 HydrophobicContact CZ-CE2 3.96Å; V1174-F1178 WeakPolarHBondContact O-CB 3.16Å; V1174-F1178 PolarHBondContact O-N 3.03Å; Q1175-F1178 PolarHBondContact O-N 3.02Å; I1176-F1178 VanDerWaalsContact C-N 3.29Å; I1176-F1178 PolarHBondContact O-N 2.9Å; F1178-M1180 PolarHBondContact O-N 2.85Å; F1178-K1181 PolarHBondContact O-N 3.31Å; F1178-L1182 HydrophobicContact CD1-CD1 3.9Å; F1178-L1182 HydrophobicContact CE1-CD1 3.36Å; F1178-L1182 HydrophobicContact CE1-CG 4.46Å; F1178-L1182 HydrophobicContact CE2-CD1 4.35Å; F1178-L1182 HydrophobicContact CZ-CD1 3.63Å; F1178-L1182 PolarHBondContact O-N 3.27Å; F1178-L1182 VanDerWaalsContact O-N 3.16Å |
| 1179 | L | 90.3 | Very high | 83.8 | Confident | 1 Ų | 1 | 18.7 Ų | 18.7 | 1% | 0.005 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -64.7 | -39.2 | 178.5 | -72.1 | 177.4 | 0 | 0 | 0 | 112.7 | Q1175 I1176 K1181 L1182 M1183 L1198 F1201 | Q1175-L1179 WeakPolarHBondContact O-CG 3.47Å; Q1175-L1179 PolarHBondContact O-N 3.07Å; Q1175-L1179 VanDerWaalsContact O-N 3.08Å; I1176-L1179 PolarHBondContact O-N 2.75Å; L1179-K1181 VanDerWaalsContact C-N 3.25Å; L1179-K1181 PolarHBondContact O-N 2.88Å; L1179-L1182 PolarHBondContact O-N 3.18Å; L1179-L1182 VanDerWaalsContact O-N 3.11Å; L1179-M1183 WeakPolarHBondContact O-CG 3.41Å; L1179-M1183 PolarHBondContact O-N 3.49Å; L1179-L1198 HydrophobicContact CD2-CD2 4.23Å; L1179-F1201 HydrophobicContact CD1-CD1 3.66Å; L1179-F1201 HydrophobicContact CD1-CE1 3.73Å |
| 1180 | M | 87 | Confident | 84.5 | Confident | 25 Ų | 25 | 24.4 Ų | 24.4 | 12% | 0.123 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -60.4 | -35.2 | 174.9 | -76.8 | -178.8 | 68.3 | 0 | 0 | 112.3 | I1176 R1177 F1178 M1183 L1284 T1287 L1288 R1291 | I1176-M1180 HydrophobicContact CG2-CG 4.16Å; I1176-M1180 HydrophobicContact CG2-SD 3.84Å; I1176-M1180 WeakPolarHBondContact O-CB 2.94Å; I1176-M1180 VanDerWaalsContact O-CG 3.3Å; I1176-M1180 WeakPolarHBondContact O-CG 3.39Å; I1176-M1180 PolarHBondContact O-N 3.06Å; R1177-M1180 PolarHBondContact O-N 3.21Å; F1178-M1180 PolarHBondContact O-N 2.85Å; M1180-M1183 HydrophobicContact CG-SD 4.36Å; M1180-L1284 HydrophobicContact CE-CD2 4.35Å; M1180-L1284 HydrophobicContact SD-CD2 3.64Å; M1180-T1287 HydrophobicContact CE-CG2 3.36Å; M1180-L1288 HydrophobicContact CG-CD2 3.71Å; M1180-L1288 HydrophobicContact CG-CG 4.47Å; M1180-L1288 HydrophobicContact SD-CD2 4.05Å; M1180-L1288 HydrophobicContact SD-CG 4.18Å; M1180-R1291 PolarHBondContact O-NH1 3.02Å |
| 1181 | K | 86.5 | Confident | 85 | Confident | 48 Ų | 48 | 27 Ų | 27 | 21% | 0.209 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -69.6 | -40.8 | 174.3 | -163 | 72.9 | -160.9 | -172.6 | 0 | 111.2 | I876 L877 E1141 F1142 R1177 F1178 L1179 M1183 S1184 | I876-K1181 WeakPolarHBondContact O-CE 3.37Å; I876-K1181 PolarHBondContact O-NZ 3.49Å; I876-K1181 VanDerWaalsContact O-NZ 3.08Å; L877-K1181 HydrophobicContact CD2-CG 3.92Å; E1141-K1181 HydrophobicContact CB-CD 4.22Å; E1141-K1181 HydrophobicContact CB-CG 4.29Å; E1141-K1181 HydrophobicContact CG-CD 4.28Å; E1141-K1181 IonicContact OE1-NZ 3.34Å; E1141-K1181 PolarHBondContact OE1-NZ 3.05Å; E1141-K1181 VanDerWaalsContact OE2-CE 3.25Å; E1141-K1181 WeakPolarHBondContact OE2-CE 3.38Å; E1141-K1181 IonicContact OE2-NZ 2.85Å; E1141-K1181 PolarHBondContact OE2-NZ 2.83Å; F1142-K1181 HydrophobicContact CE1-CB 3.75Å; F1142-K1181 HydrophobicContact CE1-CG 3.96Å; F1142-K1181 HydrophobicContact CZ-CB 3.96Å; F1142-K1181 HydrophobicContact CZ-CG 3.95Å; R1177-K1181 PolarHBondContact O-N 3.01Å; F1178-K1181 PolarHBondContact O-N 3.31Å; L1179-K1181 VanDerWaalsContact C-N 3.25Å; L1179-K1181 PolarHBondContact O-N 2.88Å; K1181-M1183 VanDerWaalsContact C-N 3.35Å; K1181-M1183 PolarHBondContact O-N 2.99Å; K1181-S1184 PolarHBondContact O-N 2.9Å; K1181-S1184 VanDerWaalsContact O-N 3.13Å; K1181-S1184 PolarHBondContact O-OG 3.49Å |
| 1182 | L | 89.3 | Confident | 85.2 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -66.8 | -33 | 176.9 | -64.5 | 174.3 | 0 | 0 | 0 | 113.6 | L877 L1076 F1095 F1178 L1179 S1184 I1185 | L877-L1182 HydrophobicContact CD2-CD2 4.14Å; L1076-L1182 HydrophobicContact CD1-CD1 4.23Å; L1076-L1182 HydrophobicContact CD1-CD2 3.45Å; L1076-L1182 VanDerWaalsContact CD1-CD2 3.45Å; L1076-L1182 HydrophobicContact CD1-CG 4.46Å; F1095-L1182 HydrophobicContact CB-CD1 3.78Å; F1095-L1182 HydrophobicContact CD1-CD1 3.68Å; F1095-L1182 HydrophobicContact CD1-CD2 4.32Å; F1095-L1182 HydrophobicContact CD2-CD1 4.46Å; F1095-L1182 HydrophobicContact CE1-CD1 4.36Å; F1095-L1182 HydrophobicContact CE1-CD2 4.19Å; F1095-L1182 HydrophobicContact CG-CD1 3.73Å; F1095-L1182 HydrophobicContact CZ-CD2 4.48Å; F1178-L1182 HydrophobicContact CD1-CD1 3.9Å; F1178-L1182 HydrophobicContact CE1-CD1 3.36Å; F1178-L1182 HydrophobicContact CE1-CG 4.46Å; F1178-L1182 HydrophobicContact CE2-CD1 4.35Å; F1178-L1182 HydrophobicContact CZ-CD1 3.63Å; F1178-L1182 PolarHBondContact O-N 3.27Å; F1178-L1182 VanDerWaalsContact O-N 3.16Å; L1179-L1182 PolarHBondContact O-N 3.18Å; L1179-L1182 VanDerWaalsContact O-N 3.11Å; L1182-S1184 PolarHBondContact O-N 3.36Å; L1182-I1185 HydrophobicContact CD2-CD1 3.84Å; L1182-I1185 WeakPolarHBondContact O-CB 3.13Å; L1182-I1185 PolarHBondContact O-N 3.2Å |
| 1183 | M | 89.1 | Confident | 85.2 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -55 | -33.9 | 171.7 | -71.2 | 167.4 | -173.7 | 0 | 0 | 112.1 | L1179 M1180 K1181 I1185 F1186 E1187 I1195 L1198 A1199 L1288 R1291 | L1179-M1183 WeakPolarHBondContact O-CG 3.41Å; L1179-M1183 PolarHBondContact O-N 3.49Å; M1180-M1183 HydrophobicContact CG-SD 4.36Å; K1181-M1183 VanDerWaalsContact C-N 3.35Å; K1181-M1183 PolarHBondContact O-N 2.99Å; M1183-I1185 PolarHBondContact O-N 3.21Å; M1183-F1186 PolarHBondContact O-N 3.37Å; M1183-E1187 WeakPolarHBondContact O-CG 3.42Å; M1183-E1187 PolarHBondContact O-N 3.36Å; M1183-E1187 VanDerWaalsContact O-N 3.1Å; M1183-I1195 HydrophobicContact CB-CG2 4.44Å; M1183-I1195 HydrophobicContact CG-CG2 4.44Å; M1183-L1198 HydrophobicContact CE-CB 3.55Å; M1183-L1198 WeakPolarHBondContact CE-O 2.88Å; M1183-L1198 HydrophobicContact CG-CB 4.17Å; M1183-L1198 HydrophobicContact CG-CD1 4.24Å; M1183-A1199 HydrophobicContact CE-CB 3.99Å; M1183-A1199 VanDerWaalsContact CE-N 3.35Å; M1183-L1288 HydrophobicContact CE-CD2 4.01Å; M1183-L1288 HydrophobicContact SD-CD2 4.27Å; M1183-R1291 VanDerWaalsContact C-NH2 3.34Å |
| 1184 | S | 87.9 | Confident | 85.5 | Confident | 22 Ų | 22 | 30.7 Ų | 30.7 | 15% | 0.154 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -68.3 | -20.8 | -179.3 | 61.5 | 0 | 0 | 0 | 0 | 113.7 | I876 K1181 L1182 | I876-S1184 WeakPolarHBondContact CG2-OG 3.3Å; K1181-S1184 PolarHBondContact O-N 2.9Å; K1181-S1184 VanDerWaalsContact O-N 3.13Å; K1181-S1184 PolarHBondContact O-OG 3.49Å; L1182-S1184 PolarHBondContact O-N 3.36Å |
| 1185 | I | 87.6 | Confident | 85.7 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -74.8 | -46.9 | 174.2 | -52.5 | 179.3 | 0 | 0 | 0 | 110 | H873 I876 L877 L1080 L1083 L1182 M1183 E1187 V1188 S1189 | H873-I1185 HydrophobicContact CB-CG2 3.78Å; H873-I1185 VanDerWaalsContact CD2-CG2 3.41Å; H873-I1185 WeakPolarHBondContact CD2-CG2 3.49Å; H873-I1185 VanDerWaalsContact CG-CG2 3.42Å; H873-I1185 PolarHBondContact NE2-O 2.69Å; I876-I1185 HydrophobicContact CG2-CG1 4.34Å; L877-I1185 HydrophobicContact CD1-CD1 3.51Å; L877-I1185 HydrophobicContact CD2-CD1 3.71Å; L877-I1185 HydrophobicContact CD2-CG1 4.31Å; L877-I1185 HydrophobicContact CG-CD1 3.53Å; L877-I1185 HydrophobicContact CG-CG1 4.23Å; L1080-I1185 HydrophobicContact CD2-CD1 3.78Å; L1083-I1185 HydrophobicContact CD2-CG2 3.47Å; L1083-I1185 VanDerWaalsContact CD2-CG2 3.47Å; L1182-I1185 HydrophobicContact CD2-CD1 3.84Å; L1182-I1185 WeakPolarHBondContact O-CB 3.13Å; L1182-I1185 PolarHBondContact O-N 3.2Å; M1183-I1185 PolarHBondContact O-N 3.21Å; I1185-E1187 PolarHBondContact O-N 3.37Å; I1185-V1188 PolarHBondContact O-N 2.79Å; I1185-S1189 PolarHBondContact O-N 3.07Å |
| 1186 | F | 87 | Confident | 85.6 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.1 | -30.7 | 176.1 | -72.2 | -75.7 | 0 | 0 | 0 | 112.1 | L1083 A1091 K1092 F1095 M1183 S1189 N1190 Y1191 E1194 I1195 L1198 | L1083-F1186 HydrophobicContact CD1-CD1 3.75Å; L1083-F1186 HydrophobicContact CD1-CE1 3.56Å; L1083-F1186 HydrophobicContact CD1-CZ 4.47Å; A1091-F1186 HydrophobicContact CB-CE1 4.47Å; A1091-F1186 HydrophobicContact CB-CZ 4.27Å; K1092-F1186 HydrophobicContact CB-CZ 4.45Å; F1095-F1186 AromaticContact CD2-CE2 3.44Å; F1095-F1186 HydrophobicContact CD2-CE2 3.44Å; F1095-F1186 VanDerWaalsContact CD2-CE2 3.44Å; F1095-F1186 AromaticContact CD2-CZ 3.56Å; F1095-F1186 HydrophobicContact CD2-CZ 3.56Å; F1095-F1186 HydrophobicContact CE2-CE1 4.49Å; F1095-F1186 AromaticContact CE2-CE2 3.47Å; F1095-F1186 HydrophobicContact CE2-CE2 3.47Å; F1095-F1186 VanDerWaalsContact CE2-CE2 3.47Å; F1095-F1186 AromaticContact CE2-CZ 3.45Å; F1095-F1186 HydrophobicContact CE2-CZ 3.45Å; F1095-F1186 VanDerWaalsContact CE2-CZ 3.45Å; M1183-F1186 PolarHBondContact O-N 3.37Å; F1186-S1189 CarbonylContact O-C 3.46Å; F1186-S1189 PolarHBondContact O-N 2.73Å; F1186-N1190 PolarHBondContact O-N 3.38Å; F1186-Y1191 AromaticContact CD1-CD2 3.98Å; F1186-Y1191 HydrophobicContact CD1-CD2 3.98Å; F1186-Y1191 HydrophobicContact CD1-CG 4.24Å; F1186-Y1191 PolarHBondContact O-N 3.21Å; F1186-E1194 HydrophobicContact CD1-CB 4.26Å; F1186-E1194 HydrophobicContact CE1-CB 4.18Å; F1186-I1195 HydrophobicContact CB-CD1 3.87Å; F1186-I1195 HydrophobicContact CB-CG1 3.46Å; F1186-I1195 VanDerWaalsContact CB-CG1 3.46Å; F1186-I1195 HydrophobicContact CG-CG1 4.41Å; F1186-L1198 HydrophobicContact CD2-CD1 4.01Å; F1186-L1198 HydrophobicContact CE2-CD1 3.68Å |
| 1187 | E | 85.3 | Confident | 85.5 | Confident | 45 Ų | 45 | 34.5 Ų | 34.5 | 21% | 0.21 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.6 | -44 | 176 | -74.4 | 179.6 | 163.1 | 0 | 0 | 112.8 | M1183 I1185 S1189 N1190 I1195 R1291 H1295 | M1183-E1187 WeakPolarHBondContact O-CG 3.42Å; M1183-E1187 PolarHBondContact O-N 3.36Å; M1183-E1187 VanDerWaalsContact O-N 3.1Å; I1185-E1187 PolarHBondContact O-N 3.37Å; E1187-S1189 PolarHBondContact O-N 3.07Å; E1187-N1190 PolarHBondContact O-N 2.98Å; E1187-N1190 PolarHBondContact O-OD1 2.96Å; E1187-I1195 HydrophobicContact CB-CD1 4.38Å; E1187-I1195 HydrophobicContact CG-CD1 3.62Å; E1187-R1291 IonicContact OE1-CZ 3.48Å; E1187-R1291 VanDerWaalsContact OE1-CZ 3.31Å; E1187-R1291 IonicContact OE1-NE 2.73Å; E1187-R1291 PolarHBondContact OE1-NE 3.06Å; E1187-R1291 IonicContact OE1-NH2 2.83Å; E1187-R1291 PolarHBondContact OE1-NH2 3.18Å; E1187-R1291 VanDerWaalsContact OE1-NH2 3.12Å; E1187-R1291 IonicContact OE2-CZ 2.73Å; E1187-R1291 IonicContact OE2-NE 3.11Å; E1187-R1291 IonicContact OE2-NH2 3.64Å; E1187-R1291 PolarHBondContact OE2-NH2 2.95Å; E1187-H1295 WeakPolarHBondContact CG-NE2 3.37Å; E1187-H1295 IonicContact OE1-CD2 3.17Å; E1187-H1295 IonicContact OE1-CE1 2.74Å; E1187-H1295 IonicContact OE1-NE2 3.35Å; E1187-H1295 PolarHBondContact OE1-NE2 3.07Å |
| 1188 | V | 83.7 | Confident | 85.6 | Confident | 68 Ų | 68 | 30.6 Ų | 30.6 | 41% | 0.412 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -67 | -29.6 | 178.1 | 171.9 | 0 | 0 | 0 | 0 | 111.7 | D872 I876 I1185 | D872-V1188 HydrophobicContact CB-CG1 4.44Å; I876-V1188 HydrophobicContact CD1-CB 4.15Å; I876-V1188 HydrophobicContact CD1-CG2 3.41Å; I876-V1188 VanDerWaalsContact CD1-CG2 3.41Å; I1185-V1188 PolarHBondContact O-N 2.79Å |
| 1189 | S | 79.5 | Confident | 85.6 | Confident | 31 Ų | 31 | 30.6 Ų | 30.6 | 22% | 0.217 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -0 | 175 | -66.5 | 0 | 0 | 0 | 0 | 115.1 | H873 I1185 F1186 E1187 Y1191 | H873-S1189 PolarHBondContact CE1-OG 3.15Å; H873-S1189 PolarHBondContact NE2-OG 3.45Å; I1185-S1189 PolarHBondContact O-N 3.07Å; F1186-S1189 CarbonylContact O-C 3.46Å; F1186-S1189 PolarHBondContact O-N 2.73Å; E1187-S1189 PolarHBondContact O-N 3.07Å; S1189-Y1191 VanDerWaalsContact C-N 3.32Å; S1189-Y1191 VanDerWaalsContact CB-CE2 3.41Å; S1189-Y1191 PolarHBondContact O-N 3.09Å |
| 1190 | N | 81.6 | Confident | 85.3 | Confident | 132 Ų | 132 | 32.4 Ų | 32.4 | 71% | 0.706 | 17% | 0.173 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.5 | 31.3 | -176.7 | -66 | -39.4 | 0 | 0 | 0 | 116 | F1186 E1187 V1192 | F1186-N1190 PolarHBondContact O-N 3.38Å; E1187-N1190 PolarHBondContact O-N 2.98Å; E1187-N1190 PolarHBondContact O-OD1 2.96Å; N1190-V1192 VanDerWaalsContact C-N 3.34Å; N1190-V1192 PolarHBondContact O-N 3.25Å; N1190-V1192 VanDerWaalsContact O-N 3.09Å |
| 1191 | Y | 84.8 | Confident | 85.2 | Confident | 68 Ų | 68 | 33.5 Ų | 33.5 | 27% | 0.267 | 18% | 0.177 | S | C | . | . | trans | -85.4 | 72.1 | 174.7 | -69.7 | -61.5 | 0 | 0 | 0 | 111.6 | L1083 F1186 S1189 I1195 | L1083-Y1191 HydrophobicContact CD1-CD2 3.66Å; L1083-Y1191 HydrophobicContact CD1-CE2 3.56Å; F1186-Y1191 AromaticContact CD1-CD2 3.98Å; F1186-Y1191 HydrophobicContact CD1-CD2 3.98Å; F1186-Y1191 HydrophobicContact CD1-CG 4.24Å; F1186-Y1191 PolarHBondContact O-N 3.21Å; S1189-Y1191 VanDerWaalsContact C-N 3.32Å; S1189-Y1191 VanDerWaalsContact CB-CE2 3.41Å; S1189-Y1191 PolarHBondContact O-N 3.09Å; Y1191-I1195 WeakPolarHBondContact O-CD1 3.39Å; Y1191-I1195 VanDerWaalsContact O-CG1 3.31Å; Y1191-I1195 WeakPolarHBondContact O-CG1 3.47Å; Y1191-I1195 PolarHBondContact O-N 3.28Å | ||
| 1192 | V | 83.5 | Confident | 85.3 | Confident | 14 Ų | 14 | 31.2 Ų | 31.2 | 9% | 0.085 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63 | -44.7 | -171.3 | -167.4 | 0 | 0 | 0 | 0 | 114.6 | N1190 E1194 I1195 L1196 H1295 L1299 | N1190-V1192 VanDerWaalsContact C-N 3.34Å; N1190-V1192 PolarHBondContact O-N 3.25Å; N1190-V1192 VanDerWaalsContact O-N 3.09Å; V1192-E1194 VanDerWaalsContact C-N 3.33Å; V1192-E1194 PolarHBondContact O-N 3.18Å; V1192-I1195 PolarHBondContact O-N 3.47Å; V1192-L1196 HydrophobicContact CG1-CD1 4.32Å; V1192-L1196 PolarHBondContact O-N 3.07Å; V1192-H1295 HydrophobicContact CG1-CB 3.73Å; V1192-L1299 HydrophobicContact CB-CD2 4Å; V1192-L1299 HydrophobicContact CB-CG 4.37Å; V1192-L1299 HydrophobicContact CG1-CD1 3.8Å; V1192-L1299 HydrophobicContact CG1-CD2 3.89Å; V1192-L1299 HydrophobicContact CG1-CG 3.7Å; V1192-L1299 HydrophobicContact CG2-CD2 4.4Å |
| 1193 | P | 82.3 | Confident | 85 | Confident | 75 Ų | 75 | 31.2 Ų | 31.2 | 49% | 0.487 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -58.5 | -43.2 | -179.6 | -24.1 | 34.8 | 0 | 0 | 0 | 112.9 | I1195 L1196 D1197 | P1193-I1195 VanDerWaalsContact C-N 3.3Å; P1193-I1195 PolarHBondContact O-N 2.81Å; P1193-L1196 PolarHBondContact O-N 2.65Å; P1193-D1197 PolarHBondContact O-N 2.95Å |
| 1194 | E | 85.6 | Confident | 84.6 | Confident | 27 Ų | 27 | 33.7 Ų | 33.7 | 13% | 0.126 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -66.9 | -31.7 | -179.9 | -67.1 | 81.4 | 174.3 | 0 | 0 | 112.6 | S1088 K1092 F1186 V1192 L1198 | S1088-E1194 VanDerWaalsContact CB-OE1 3.24Å; S1088-E1194 WeakPolarHBondContact CB-OE1 3.48Å; S1088-E1194 PolarHBondContact OG-OE1 3.16Å; K1092-E1194 HydrophobicContact CB-CG 4.4Å; K1092-E1194 HydrophobicContact CD-CB 4.25Å; K1092-E1194 HydrophobicContact CD-CG 4.31Å; F1186-E1194 HydrophobicContact CD1-CB 4.26Å; F1186-E1194 HydrophobicContact CE1-CB 4.18Å; V1192-E1194 VanDerWaalsContact C-N 3.33Å; V1192-E1194 PolarHBondContact O-N 3.18Å; E1194-L1198 WeakPolarHBondContact O-CB 3.47Å; E1194-L1198 VanDerWaalsContact O-CG 3.29Å; E1194-L1198 WeakPolarHBondContact O-CG 3.49Å; E1194-L1198 PolarHBondContact O-N 3.4Å; E1194-L1198 VanDerWaalsContact O-N 3.08Å |
| 1195 | I | 85.5 | Confident | 84.2 | Confident | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.01 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -67.3 | -43 | 175.1 | -62.2 | 160.3 | 0 | 0 | 0 | 110.5 | M1183 F1186 E1187 Y1191 V1192 P1193 L1198 A1199 H1295 | M1183-I1195 HydrophobicContact CB-CG2 4.44Å; M1183-I1195 HydrophobicContact CG-CG2 4.44Å; F1186-I1195 HydrophobicContact CB-CD1 3.87Å; F1186-I1195 HydrophobicContact CB-CG1 3.46Å; F1186-I1195 VanDerWaalsContact CB-CG1 3.46Å; F1186-I1195 HydrophobicContact CG-CG1 4.41Å; E1187-I1195 HydrophobicContact CB-CD1 4.38Å; E1187-I1195 HydrophobicContact CG-CD1 3.62Å; Y1191-I1195 WeakPolarHBondContact O-CD1 3.39Å; Y1191-I1195 VanDerWaalsContact O-CG1 3.31Å; Y1191-I1195 WeakPolarHBondContact O-CG1 3.47Å; Y1191-I1195 PolarHBondContact O-N 3.28Å; V1192-I1195 PolarHBondContact O-N 3.47Å; P1193-I1195 VanDerWaalsContact C-N 3.3Å; P1193-I1195 PolarHBondContact O-N 2.81Å; I1195-L1198 PolarHBondContact O-N 3.03Å; I1195-A1199 WeakPolarHBondContact O-CB 3.37Å; I1195-A1199 PolarHBondContact O-N 3.32Å; I1195-H1295 WeakPolarHBondContact CG2-CD2 3.45Å |
| 1196 | L | 84.4 | Confident | 83.8 | Confident | 16 Ų | 16 | 37 Ų | 37 | 8% | 0.084 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.2 | -45.4 | 178.7 | -67 | 174.2 | 0 | 0 | 0 | 111.1 | V1192 P1193 L1198 A1199 E1200 M1292 H1295 E1296 L1299 | V1192-L1196 HydrophobicContact CG1-CD1 4.32Å; V1192-L1196 PolarHBondContact O-N 3.07Å; P1193-L1196 PolarHBondContact O-N 2.65Å; L1196-L1198 VanDerWaalsContact C-N 3.35Å; L1196-L1198 PolarHBondContact O-N 3.47Å; L1196-A1199 PolarHBondContact O-N 3.22Å; L1196-A1199 VanDerWaalsContact O-N 3.15Å; L1196-E1200 WeakPolarHBondContact O-CB 3.46Å; L1196-E1200 PolarHBondContact O-N 2.9Å; L1196-M1292 HydrophobicContact CD2-CB 4.28Å; L1196-M1292 HydrophobicContact CD2-CG 4.33Å; L1196-H1295 HydrophobicContact CD2-CB 3.8Å; L1196-H1295 HydrophobicContact CG-CB 4.3Å; L1196-E1296 HydrophobicContact CD1-CG 4.03Å; L1196-E1296 HydrophobicContact CD2-CG 3.85Å; L1196-L1299 HydrophobicContact CD1-CD1 3.63Å |
| 1197 | D | 82.3 | Confident | 83.2 | Confident | 68 Ų | 68 | 37.2 Ų | 37.2 | 36% | 0.364 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -59.5 | -42.8 | 176.1 | -72.5 | -7.4 | 0 | 0 | 0 | 112.5 | K1092 P1193 A1199 F1201 | K1092-D1197 HydrophobicContact CD-CB 3.84Å; K1092-D1197 IonicContact NZ-OD2 3.4Å; K1092-D1197 PolarHBondContact NZ-OD2 3.09Å; P1193-D1197 PolarHBondContact O-N 2.95Å; D1197-A1199 VanDerWaalsContact C-N 3.33Å; D1197-F1201 WeakPolarHBondContact O-CB 3.4Å; D1197-F1201 PolarHBondContact O-N 3.26Å |
| 1198 | L | 87.2 | Confident | 82.5 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -66.7 | -36.1 | 177 | -74.9 | 174.2 | 0 | 0 | 0 | 111.8 | K1092 I1096 L1179 M1183 F1186 E1194 I1195 L1196 F1201 C1202 | K1092-L1198 HydrophobicContact CD-CG 4.45Å; K1092-L1198 HydrophobicContact CG-CD1 4.44Å; K1092-L1198 HydrophobicContact CG-CD2 3.85Å; K1092-L1198 HydrophobicContact CG-CG 3.93Å; I1096-L1198 HydrophobicContact CD1-CD2 3.99Å; I1096-L1198 HydrophobicContact CG1-CD2 3.63Å; L1179-L1198 HydrophobicContact CD2-CD2 4.23Å; M1183-L1198 HydrophobicContact CE-CB 3.55Å; M1183-L1198 WeakPolarHBondContact CE-O 2.88Å; M1183-L1198 HydrophobicContact CG-CB 4.17Å; M1183-L1198 HydrophobicContact CG-CD1 4.24Å; F1186-L1198 HydrophobicContact CD2-CD1 4.01Å; F1186-L1198 HydrophobicContact CE2-CD1 3.68Å; E1194-L1198 WeakPolarHBondContact O-CB 3.47Å; E1194-L1198 VanDerWaalsContact O-CG 3.29Å; E1194-L1198 WeakPolarHBondContact O-CG 3.49Å; E1194-L1198 PolarHBondContact O-N 3.4Å; E1194-L1198 VanDerWaalsContact O-N 3.08Å; I1195-L1198 PolarHBondContact O-N 3.03Å; L1196-L1198 VanDerWaalsContact C-N 3.35Å; L1196-L1198 PolarHBondContact O-N 3.47Å; L1198-F1201 PolarHBondContact O-N 3.14Å; L1198-C1202 PolarHBondContact O-N 2.79Å; L1198-C1202 PolarHBondContact O-SG 3.14Å |
| 1199 | A | 87 | Confident | 81.8 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -72.2 | -40.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | M1183 I1195 L1196 D1197 F1201 C1202 L1203 M1292 | M1183-A1199 HydrophobicContact CE-CB 3.99Å; M1183-A1199 VanDerWaalsContact CE-N 3.35Å; I1195-A1199 WeakPolarHBondContact O-CB 3.37Å; I1195-A1199 PolarHBondContact O-N 3.32Å; L1196-A1199 PolarHBondContact O-N 3.22Å; L1196-A1199 VanDerWaalsContact O-N 3.15Å; D1197-A1199 VanDerWaalsContact C-N 3.33Å; A1199-F1201 VanDerWaalsContact C-N 3.35Å; A1199-C1202 PolarHBondContact O-N 2.72Å; A1199-L1203 WeakPolarHBondContact O-CG 3.44Å; A1199-L1203 PolarHBondContact O-N 3.25Å; A1199-M1292 HydrophobicContact CB-CG 3.3Å; A1199-M1292 HydrophobicContact CB-SD 3.72Å |
| 1200 | E | 84.6 | Confident | 81.1 | Confident | 40 Ų | 40 | 38.1 Ų | 38.1 | 19% | 0.187 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -58.7 | -45.9 | 169.9 | -178.8 | 179.3 | 170 | 0 | 0 | 111 | L1196 C1202 L1203 N1204 L1235 R1239 | L1196-E1200 WeakPolarHBondContact O-CB 3.46Å; L1196-E1200 PolarHBondContact O-N 2.9Å; E1200-C1202 VanDerWaalsContact C-N 3.34Å; E1200-C1202 PolarHBondContact O-N 3.12Å; E1200-L1203 PolarHBondContact O-N 2.99Å; E1200-N1204 WeakPolarHBondContact O-CB 3.42Å; E1200-N1204 PolarHBondContact O-N 3.13Å; E1200-N1204 PolarHBondContact O-ND2 3.38Å; E1200-L1235 HydrophobicContact CG-CD2 4.33Å; E1200-R1239 IonicContact OE1-NE 2.69Å |
| 1201 | F | 85 | Confident | 79.9 | Confident | 47 Ų | 47 | 35.4 Ų | 35.4 | 21% | 0.206 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -56.9 | -45.6 | 175.1 | 178 | -93.7 | 0 | 0 | 0 | 112.3 | I1096 L1179 D1197 L1198 A1199 N1204 R1205 | I1096-F1201 HydrophobicContact CG2-CE1 4.21Å; I1096-F1201 HydrophobicContact CG2-CE2 3.98Å; I1096-F1201 HydrophobicContact CG2-CZ 3.77Å; L1179-F1201 HydrophobicContact CD1-CD1 3.66Å; L1179-F1201 HydrophobicContact CD1-CE1 3.73Å; D1197-F1201 WeakPolarHBondContact O-CB 3.4Å; D1197-F1201 PolarHBondContact O-N 3.26Å; L1198-F1201 PolarHBondContact O-N 3.14Å; A1199-F1201 VanDerWaalsContact C-N 3.35Å; F1201-N1204 PolarHBondContact O-N 2.87Å; F1201-R1205 HydrophobicContact CE1-CG 4.11Å; F1201-R1205 HydrophobicContact CZ-CG 4.14Å; F1201-R1205 PolarHBondContact O-N 2.86Å |
| 1202 | C | 87.4 | Confident | 78.3 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.6 | -40.8 | 178.1 | -65.4 | 0 | 0 | 0 | 0 | 112.4 | I1176 L1198 A1199 E1200 R1205 L1206 L1288 | I1176-C1202 HydrophobicContact CG1-CB 4.37Å; I1176-C1202 HydrophobicContact CG2-CB 4.42Å; L1198-C1202 PolarHBondContact O-N 2.79Å; L1198-C1202 PolarHBondContact O-SG 3.14Å; A1199-C1202 PolarHBondContact O-N 2.72Å; E1200-C1202 VanDerWaalsContact C-N 3.34Å; E1200-C1202 PolarHBondContact O-N 3.12Å; C1202-R1205 PolarHBondContact O-N 3.42Å; C1202-L1206 WeakPolarHBondContact O-CG 3.34Å; C1202-L1206 PolarHBondContact O-N 3.01Å; C1202-L1288 HydrophobicContact CB-CD1 3.52Å; C1202-L1288 HydrophobicContact CB-CD2 3.9Å; C1202-L1288 HydrophobicContact CB-CG 4.37Å |
| 1203 | L | 83.5 | Confident | 76.8 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -68 | -38.2 | 177.4 | -72.1 | 173.7 | 0 | 0 | 0 | 112.3 | A1199 E1200 L1206 A1207 L1231 L1235 E1285 L1288 W1289 M1292 | A1199-L1203 WeakPolarHBondContact O-CG 3.44Å; A1199-L1203 PolarHBondContact O-N 3.25Å; E1200-L1203 PolarHBondContact O-N 2.99Å; L1203-L1206 HydrophobicContact CD2-CD1 4.37Å; L1203-L1206 PolarHBondContact O-N 3.03Å; L1203-A1207 WeakPolarHBondContact O-CB 3.48Å; L1203-A1207 PolarHBondContact O-N 3.32Å; L1203-L1231 HydrophobicContact CB-CD2 4.45Å; L1203-L1231 HydrophobicContact CD2-CD2 4.3Å; L1203-L1235 HydrophobicContact CB-CD1 4.03Å; L1203-L1235 HydrophobicContact CD1-CD2 4.35Å; L1203-E1285 HydrophobicContact CD2-CG 3.79Å; L1203-L1288 HydrophobicContact CD2-CB 3.95Å; L1203-L1288 HydrophobicContact CD2-CD1 4.11Å; L1203-L1288 HydrophobicContact CG-CB 4.2Å; L1203-L1288 HydrophobicContact CG-CD1 4.34Å; L1203-W1289 HydrophobicContact CD1-CD2 3.84Å; L1203-W1289 HydrophobicContact CD1-CE3 3.74Å; L1203-W1289 HydrophobicContact CD1-CH2 3.86Å; L1203-W1289 HydrophobicContact CD1-CZ2 3.92Å; L1203-W1289 HydrophobicContact CD1-CZ3 3.76Å; L1203-W1289 HydrophobicContact CD2-CD2 4.34Å; L1203-W1289 HydrophobicContact CD2-CZ2 4.47Å; L1203-M1292 HydrophobicContact CD1-SD 3.42Å; L1203-M1292 WeakPolarHBondContact CD1-SD 3.47Å |
| 1204 | N | 81.3 | Confident | 74.8 | Confident | 53 Ų | 53 | 38 Ų | 38 | 28% | 0.283 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -61.7 | -45 | 173.5 | -79.1 | -35 | 0 | 0 | 0 | 111.2 | E1200 F1201 L1206 A1207 E1208 L1235 | E1200-N1204 WeakPolarHBondContact O-CB 3.42Å; E1200-N1204 PolarHBondContact O-N 3.13Å; E1200-N1204 PolarHBondContact O-ND2 3.38Å; F1201-N1204 PolarHBondContact O-N 2.87Å; N1204-L1206 VanDerWaalsContact C-N 3.34Å; N1204-L1206 PolarHBondContact O-N 2.69Å; N1204-A1207 PolarHBondContact O-N 3.25Å; N1204-E1208 WeakPolarHBondContact O-CG 3.37Å; N1204-E1208 PolarHBondContact O-N 2.86Å; N1204-L1235 WeakPolarHBondContact OD1-CD1 3.29Å |
| 1205 | R | 79.7 | Confident | 72.8 | Confident | 90 Ų | 90 | 41.1 Ų | 41.1 | 34% | 0.34 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -59.5 | -42 | 173.8 | -78.7 | -65.9 | 106.3 | 152.6 | 7.3 | 112.6 | F1201 C1202 E1208 T1209 | F1201-R1205 HydrophobicContact CE1-CG 4.11Å; F1201-R1205 HydrophobicContact CZ-CG 4.14Å; F1201-R1205 PolarHBondContact O-N 2.86Å; C1202-R1205 PolarHBondContact O-N 3.42Å; R1205-E1208 VanDerWaalsContact CZ-CD 3.46Å; R1205-E1208 IonicContact CZ-OE1 3.85Å; R1205-E1208 IonicContact CZ-OE2 2.74Å; R1205-E1208 IonicContact NE-OE1 3.66Å; R1205-E1208 PolarHBondContact NE-OE1 3.07Å; R1205-E1208 IonicContact NE-OE2 2.69Å; R1205-E1208 PolarHBondContact NE-OE2 3.24Å; R1205-E1208 VanDerWaalsContact NE-OE2 3.11Å; R1205-E1208 IonicContact NH1-OE2 2.74Å; R1205-E1208 PolarHBondContact NH1-OE2 2.91Å; R1205-E1208 IonicContact NH2-OE1 3.34Å; R1205-E1208 PolarHBondContact NH2-OE1 2.84Å; R1205-E1208 IonicContact NH2-OE2 3.05Å; R1205-E1208 PolarHBondContact NH2-OE2 2.93Å; R1205-E1208 PolarHBondContact O-N 2.85Å; R1205-T1209 WeakPolarHBondContact O-CG2 3.5Å; R1205-T1209 PolarHBondContact O-N 3Å |
| 1206 | L | 79.7 | Confident | 70.6 | Confident | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.2 | -44.9 | 173.6 | -75.2 | 170.4 | 0 | 0 | 0 | 111.9 | I1172 I1176 C1202 L1203 N1204 E1208 T1209 Q1210 L1281 E1285 L1288 | I1172-L1206 HydrophobicContact CG2-CD2 4.44Å; I1176-L1206 HydrophobicContact CD1-CD1 4.03Å; I1176-L1206 HydrophobicContact CD1-CD2 3.37Å; I1176-L1206 HydrophobicContact CD1-CG 3.43Å; I1176-L1206 VanDerWaalsContact CD1-CG 3.43Å; C1202-L1206 WeakPolarHBondContact O-CG 3.34Å; C1202-L1206 PolarHBondContact O-N 3.01Å; L1203-L1206 HydrophobicContact CD2-CD1 4.37Å; L1203-L1206 PolarHBondContact O-N 3.03Å; N1204-L1206 VanDerWaalsContact C-N 3.34Å; N1204-L1206 PolarHBondContact O-N 2.69Å; L1206-E1208 VanDerWaalsContact C-N 3.34Å; L1206-E1208 PolarHBondContact O-N 3.39Å; L1206-T1209 PolarHBondContact O-N 3.12Å; L1206-T1209 PolarHBondContact O-OG1 2.88Å; L1206-Q1210 PolarHBondContact O-N 3.35Å; L1206-L1281 HydrophobicContact CD2-CB 4.24Å; L1206-L1281 HydrophobicContact CD2-CD2 3.77Å; L1206-L1281 HydrophobicContact CD2-CG 4.48Å; L1206-E1285 HydrophobicContact CD1-CB 3.9Å; L1206-E1285 HydrophobicContact CD1-CG 4.09Å; L1206-L1288 HydrophobicContact CD1-CD1 3.87Å |
| 1207 | A | 73.1 | Confident | 68.5 | Low | 4 Ų | 4 | 54.3 Ų | 54.3 | 3% | 0.033 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.6 | -39.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L1203 N1204 Q1210 N1211 L1231 | L1203-A1207 WeakPolarHBondContact O-CB 3.48Å; L1203-A1207 PolarHBondContact O-N 3.32Å; N1204-A1207 PolarHBondContact O-N 3.25Å; A1207-Q1210 PolarHBondContact O-N 3.22Å; A1207-N1211 PolarHBondContact O-N 3Å; A1207-N1211 PolarHBondContact O-ND2 3.11Å; A1207-L1231 HydrophobicContact CB-CB 3.99Å; A1207-L1231 HydrophobicContact CB-CD1 4.35Å |
| 1208 | E | 71.5 | Confident | 66 | Low | 91 Ų | 91 | 56 Ų | 56 | 43% | 0.425 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -61.7 | -43.3 | 176.6 | -73 | 173.5 | -148.4 | 0 | 0 | 112.4 | N1204 R1205 L1206 Q1210 N1211 S1212 | N1204-E1208 WeakPolarHBondContact O-CG 3.37Å; N1204-E1208 PolarHBondContact O-N 2.86Å; R1205-E1208 VanDerWaalsContact CZ-CD 3.46Å; R1205-E1208 IonicContact CZ-OE1 3.85Å; R1205-E1208 IonicContact CZ-OE2 2.74Å; R1205-E1208 IonicContact NE-OE1 3.66Å; R1205-E1208 PolarHBondContact NE-OE1 3.07Å; R1205-E1208 IonicContact NE-OE2 2.69Å; R1205-E1208 PolarHBondContact NE-OE2 3.24Å; R1205-E1208 VanDerWaalsContact NE-OE2 3.11Å; R1205-E1208 IonicContact NH1-OE2 2.74Å; R1205-E1208 PolarHBondContact NH1-OE2 2.91Å; R1205-E1208 IonicContact NH2-OE1 3.34Å; R1205-E1208 PolarHBondContact NH2-OE1 2.84Å; R1205-E1208 IonicContact NH2-OE2 3.05Å; R1205-E1208 PolarHBondContact NH2-OE2 2.93Å; R1205-E1208 PolarHBondContact O-N 2.85Å; L1206-E1208 VanDerWaalsContact C-N 3.34Å; L1206-E1208 PolarHBondContact O-N 3.39Å; E1208-Q1210 VanDerWaalsContact C-N 3.35Å; E1208-Q1210 PolarHBondContact O-N 3.49Å; E1208-N1211 PolarHBondContact O-N 3.46Å; E1208-N1211 VanDerWaalsContact O-N 3.15Å; E1208-S1212 PolarHBondContact O-N 2.91Å; E1208-S1212 VanDerWaalsContact O-N 3.08Å |
| 1209 | T | 67.8 | Low | 63.4 | Low | 23 Ų | 23 | 64 Ų | 64 | 14% | 0.141 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -63.9 | -39 | 178.1 | 61.6 | 0 | 0 | 0 | 0 | 113 | I1172 R1205 L1206 N1211 S1212 I1213 | I1172-T1209 HydrophobicContact CB-CG2 4.15Å; I1172-T1209 HydrophobicContact CD1-CG2 3.32Å; I1172-T1209 HydrophobicContact CG1-CG2 3.41Å; I1172-T1209 VanDerWaalsContact CG1-CG2 3.41Å; I1172-T1209 HydrophobicContact CG2-CG2 4.06Å; R1205-T1209 WeakPolarHBondContact O-CG2 3.5Å; R1205-T1209 PolarHBondContact O-N 3Å; L1206-T1209 PolarHBondContact O-N 3.12Å; L1206-T1209 PolarHBondContact O-OG1 2.88Å; T1209-N1211 PolarHBondContact O-N 3.48Å; T1209-S1212 PolarHBondContact O-N 3.23Å; T1209-S1212 PolarHBondContact O-OG 3.46Å; T1209-I1213 WeakPolarHBondContact O-CG1 3.37Å; T1209-I1213 PolarHBondContact O-N 2.82Å |
| 1210 | Q | 64.5 | Low | 60.9 | Low | 49 Ų | 49 | 71.3 Ų | 71.3 | 23% | 0.229 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -68.4 | -25.5 | 177.8 | -65.5 | -179.2 | -5.2 | 0 | 0 | 112.2 | L1206 A1207 E1208 T1228 | L1206-Q1210 PolarHBondContact O-N 3.35Å; A1207-Q1210 PolarHBondContact O-N 3.22Å; E1208-Q1210 VanDerWaalsContact C-N 3.35Å; E1208-Q1210 PolarHBondContact O-N 3.49Å; Q1210-T1228 HydrophobicContact CB-CG2 3.56Å |
| 1211 | N | 57 | Low | 58.3 | Low | 75 Ų | 75 | 77.7 Ų | 77.7 | 40% | 0.401 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -78 | -38.3 | 174.3 | -73.3 | -27.5 | 0 | 0 | 0 | 112.2 | A1207 E1208 T1209 I1213 K1214 S1215 T1228 | A1207-N1211 PolarHBondContact O-N 3Å; A1207-N1211 PolarHBondContact O-ND2 3.11Å; E1208-N1211 PolarHBondContact O-N 3.46Å; E1208-N1211 VanDerWaalsContact O-N 3.15Å; T1209-N1211 PolarHBondContact O-N 3.48Å; N1211-I1213 VanDerWaalsContact C-N 3.33Å; N1211-I1213 PolarHBondContact O-N 3.22Å; N1211-K1214 PolarHBondContact O-N 3.17Å; N1211-K1214 VanDerWaalsContact O-N 3.16Å; N1211-S1215 PolarHBondContact O-N 2.88Å; N1211-T1228 VanDerWaalsContact OD1-CB 3.23Å; N1211-T1228 WeakPolarHBondContact OD1-CB 3.48Å; N1211-T1228 PolarHBondContact OD1-OG1 2.76Å |
| 1212 | S | 51.4 | Low | 55.7 | Low | 67 Ų | 67 | 83 Ų | 83 | 47% | 0.469 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -65.9 | -35.4 | 178.3 | 91.9 | 0 | 0 | 0 | 0 | 112.3 | E1208 T1209 K1214 S1215 | E1208-S1212 PolarHBondContact O-N 2.91Å; E1208-S1212 VanDerWaalsContact O-N 3.08Å; T1209-S1212 PolarHBondContact O-N 3.23Å; T1209-S1212 PolarHBondContact O-OG 3.46Å; S1212-K1214 PolarHBondContact O-N 2.96Å; S1212-K1214 VanDerWaalsContact O-N 3.16Å; S1212-S1215 PolarHBondContact O-N 3.2Å; S1212-S1215 PolarHBondContact O-OG 2.76Å |
| 1213 | I | 51.4 | Low | 53.1 | Low | 64 Ų | 64 | 88.8 Ų | 88.8 | 33% | 0.328 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -61.8 | -24.9 | 176.1 | -64.5 | 165.8 | 0 | 0 | 0 | 111.9 | T1209 N1211 | T1209-I1213 WeakPolarHBondContact O-CG1 3.37Å; T1209-I1213 PolarHBondContact O-N 2.82Å; N1211-I1213 VanDerWaalsContact C-N 3.33Å; N1211-I1213 PolarHBondContact O-N 3.22Å |
| 1214 | K | 41.8 | Very low | 50.4 | Low | 81 Ų | 81 | 93.1 Ų | 93.1 | 35% | 0.352 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -83 | -32.6 | 177.1 | -75.8 | -179.4 | 176.5 | 176.5 | 0 | 113.5 | N1211 S1212 E1216 N1217 C1218 G1225 T1228 | N1211-K1214 PolarHBondContact O-N 3.17Å; N1211-K1214 VanDerWaalsContact O-N 3.16Å; S1212-K1214 PolarHBondContact O-N 2.96Å; S1212-K1214 VanDerWaalsContact O-N 3.16Å; K1214-E1216 VanDerWaalsContact C-N 3.3Å; K1214-E1216 PolarHBondContact O-N 2.86Å; K1214-N1217 PolarHBondContact O-N 3.48Å; K1214-C1218 PolarHBondContact O-N 2.92Å; K1214-C1218 PolarHBondContact O-SG 2.93Å; K1214-C1218 VanDerWaalsContact O-SG 3.32Å; K1214-G1225 PolarHBondContact NZ-O 2.99Å; K1214-T1228 HydrophobicContact CD-CG2 4.48Å; K1214-T1228 PolarHBondContact NZ-OG1 3.41Å |
| 1215 | S | 41.8 | Very low | 48.1 | Very low | 93 Ų | 93 | 92.6 Ų | 92.6 | 65% | 0.65 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -68.3 | -30.5 | -178.1 | 58.6 | 0 | 0 | 0 | 0 | 112.7 | N1211 S1212 | N1211-S1215 PolarHBondContact O-N 2.88Å; S1212-S1215 PolarHBondContact O-N 3.2Å; S1212-S1215 PolarHBondContact O-OG 2.76Å |
| 1216 | E | 39.3 | Very low | 46.1 | Very low | 172 Ų | 172 | 99.5 Ų | 99.5 | 80% | 0.804 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -78.9 | -26.1 | 176.7 | -75.2 | -176.2 | 157.8 | 0 | 0 | 113.9 | K1214 | K1214-E1216 VanDerWaalsContact C-N 3.3Å; K1214-E1216 PolarHBondContact O-N 2.86Å |
| 1217 | N | 41.3 | Very low | 44.3 | Very low | 122 Ų | 122 | 102.8 Ų | 102.8 | 65% | 0.652 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -99.2 | 0.8 | -176 | -79 | -40.3 | 0 | 0 | 0 | 115 | K1214 L1219 | K1214-N1217 PolarHBondContact O-N 3.48Å; N1217-L1219 PolarHBondContact O-N 3.28Å |
| 1218 | C | 30.8 | Very low | 42.5 | Very low | 104 Ų | 104 | 103 Ų | 103 | 70% | 0.703 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.9 | 59 | 177.1 | -82 | 0 | 0 | 0 | 0 | 113.4 | K1214 | K1214-C1218 PolarHBondContact O-N 2.92Å; K1214-C1218 PolarHBondContact O-SG 2.93Å; K1214-C1218 VanDerWaalsContact O-SG 3.32Å |
| 1219 | L | 32.5 | Very low | 41.1 | Very low | 167 Ų | 167 | 106.2 Ų | 106.2 | 87% | 0.874 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.4 | 1.2 | 152.2 | -96 | 170.5 | 0 | 0 | 0 | 113.5 | N1217 | N1217-L1219 PolarHBondContact O-N 3.28Š|
| 1220 | N | 34.1 | Very low | 40.1 | Very low | 154 Ų | 154 | 111 Ų | 111 | 82% | 0.824 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -121.9 | 128.2 | 174 | -83.5 | -33.9 | 0 | 0 | 0 | 112.8 | ||
| 1221 | Q | 29.1 | Very low | 39.5 | Very low | 175 Ų | 175 | 109.1 Ų | 109.1 | 82% | 0.818 | 60% | 0.6 | S | S | * | * | trans | -65.7 | 145.8 | -169.9 | -62.8 | 176.4 | 5 | 0 | 0 | 113.3 | ||||
| 1222 | N | 31.8 | Very low | 39.3 | Very low | 159 Ų | 159 | 107.8 Ų | 107.8 | 85% | 0.85 | 60% | 0.6 | S | S | * | * | trans | 51 | 75 | 148.8 | -64.1 | -18.1 | 0 | 0 | 0 | 117.7 | ||||
| 1223 | S | 30.9 | Very low | 39.4 | Very low | 121 Ų | 121 | 107.6 Ų | 107.6 | 85% | 0.846 | 60% | 0.599 | S | S | * | * | trans | -139.6 | 136.6 | 146.6 | 59.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1224 | G | 28.2 | Very low | 39.7 | Very low | 90 Ų | 90 | 105.5 Ų | 105.5 | 93% | 0.928 | 59% | 0.589 | S | S | * | * | trans | -73.8 | 138.8 | -162.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1225 | G | 33.4 | Very low | 40.4 | Very low | 42 Ų | 42 | 102 Ų | 102 | 43% | 0.433 | 57% | 0.574 | S | S | . | * | trans | -167.2 | 71.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | K1214 S1227 | K1214-G1225 PolarHBondContact NZ-O 2.99Å; G1225-S1227 VanDerWaalsContact C-N 3.26Å; G1225-S1227 PolarHBondContact O-N 3.5Å | ||
| 1226 | R | 36.6 | Very low | 41 | Very low | 236 Ų | 236 | 100.6 Ų | 100.6 | 89% | 0.891 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.6 | 13.9 | -172.9 | -143.6 | 178.6 | -167.8 | -174.4 | 3.1 | 114.2 | ||
| 1227 | S | 41.9 | Very low | 41.8 | Very low | 70 Ų | 70 | 94.8 Ų | 94.8 | 49% | 0.49 | 55% | 0.546 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -33.1 | -174.8 | 51.4 | 0 | 0 | 0 | 0 | 114.2 | G1225 R1230 | G1225-S1227 VanDerWaalsContact C-N 3.26Å; G1225-S1227 PolarHBondContact O-N 3.5Å; S1227-R1230 WeakPolarHBondContact O-CB 3.34Å; S1227-R1230 PolarHBondContact O-N 2.98Å |
| 1228 | T | 36.4 | Very low | 42.4 | Very low | 9 Ų | 9 | 90 Ų | 90 | 6% | 0.055 | 52% | 0.52 | C | S | . | . | H | α-helix | trans | -71.4 | -37.8 | -170.3 | 66.3 | 0 | 0 | 0 | 0 | 113.9 | Q1210 N1211 K1214 R1230 L1231 | Q1210-T1228 HydrophobicContact CB-CG2 3.56Å; N1211-T1228 VanDerWaalsContact OD1-CB 3.23Å; N1211-T1228 WeakPolarHBondContact OD1-CB 3.48Å; N1211-T1228 PolarHBondContact OD1-OG1 2.76Å; K1214-T1228 HydrophobicContact CD-CG2 4.48Å; K1214-T1228 PolarHBondContact NZ-OG1 3.41Å; T1228-R1230 PolarHBondContact O-N 3.41Å; T1228-L1231 PolarHBondContact O-N 3.39Å |
| 1229 | H | 41.2 | Very low | 43.3 | Very low | 157 Ų | 157 | 92.8 Ų | 92.8 | 73% | 0.727 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65.1 | -19.2 | 172.6 | -115.6 | -71.8 | 0 | 0 | 0 | 112.6 | S1233 | H1229-S1233 VanDerWaalsContact O-CB 3.26Å; H1229-S1233 WeakPolarHBondContact O-CB 3.49Å; H1229-S1233 PolarHBondContact O-N 3.31Å; H1229-S1233 PolarHBondContact O-OG 3Å |
| 1230 | R | 46.7 | Very low | 44.3 | Very low | 124 Ų | 124 | 86.6 Ų | 86.6 | 47% | 0.468 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -73.7 | -45.7 | 179.9 | -162.8 | -179.2 | 178.5 | -164.4 | -6.4 | 111.3 | S1227 T1228 S1233 V1234 Q1310 | S1227-R1230 WeakPolarHBondContact O-CB 3.34Å; S1227-R1230 PolarHBondContact O-N 2.98Å; T1228-R1230 PolarHBondContact O-N 3.41Å; R1230-S1233 PolarHBondContact O-N 3.38Å; R1230-S1233 PolarHBondContact O-OG 2.88Å; R1230-S1233 VanDerWaalsContact O-OG 3.08Å; R1230-V1234 HydrophobicContact CG-CG2 4.17Å; R1230-V1234 WeakPolarHBondContact O-CB 3.3Å; R1230-V1234 WeakPolarHBondContact O-CG2 2.69Å; R1230-V1234 PolarHBondContact O-N 3.01Å; R1230-Q1310 PolarHBondContact NH2-O 3.03Å |
| 1231 | L | 52.2 | Low | 45 | Very low | 9 Ų | 9 | 81.9 Ų | 81.9 | 5% | 0.047 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -61.9 | -53.7 | -178.8 | -96.1 | 156.1 | 0 | 0 | 0 | 112.2 | L1203 A1207 T1228 S1233 V1234 L1235 W1289 | L1203-L1231 HydrophobicContact CB-CD2 4.45Å; L1203-L1231 HydrophobicContact CD2-CD2 4.3Å; A1207-L1231 HydrophobicContact CB-CB 3.99Å; A1207-L1231 HydrophobicContact CB-CD1 4.35Å; T1228-L1231 PolarHBondContact O-N 3.39Å; L1231-S1233 VanDerWaalsContact C-N 3.34Å; L1231-S1233 PolarHBondContact O-N 2.85Å; L1231-V1234 PolarHBondContact O-N 3.44Å; L1231-L1235 WeakPolarHBondContact O-CB 3.29Å; L1231-L1235 WeakPolarHBondContact O-CG 3.49Å; L1231-L1235 PolarHBondContact O-N 3.42Å; L1231-W1289 HydrophobicContact CD2-CH2 4.46Å; L1231-W1289 HydrophobicContact CD2-CZ2 3.5Å; L1231-W1289 VanDerWaalsContact CD2-CZ2 3.5Å |
| 1232 | A | 51.7 | Low | 45.5 | Very low | 47 Ų | 47 | 79.6 Ų | 79.6 | 39% | 0.388 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -63.2 | -38.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | A1236 | A1232-A1236 WeakPolarHBondContact O-CB 3.48Å; A1232-A1236 PolarHBondContact O-N 3.04Å |
| 1233 | S | 55.2 | Low | 46.2 | Very low | 63 Ų | 63 | 79.9 Ų | 79.9 | 44% | 0.441 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -71.4 | -36.5 | 176.1 | 61.9 | 0 | 0 | 0 | 0 | 113.1 | H1229 R1230 L1231 S1237 | H1229-S1233 VanDerWaalsContact O-CB 3.26Å; H1229-S1233 WeakPolarHBondContact O-CB 3.49Å; H1229-S1233 PolarHBondContact O-N 3.31Å; H1229-S1233 PolarHBondContact O-OG 3Å; R1230-S1233 PolarHBondContact O-N 3.38Å; R1230-S1233 PolarHBondContact O-OG 2.88Å; R1230-S1233 VanDerWaalsContact O-OG 3.08Å; L1231-S1233 VanDerWaalsContact C-N 3.34Å; L1231-S1233 PolarHBondContact O-N 2.85Å; S1233-S1237 VanDerWaalsContact O-CB 3.3Å; S1233-S1237 WeakPolarHBondContact O-CB 3.29Å; S1233-S1237 PolarHBondContact O-N 3.47Å; S1233-S1237 PolarHBondContact O-OG 3.18Å |
| 1234 | V | 57.6 | Low | 46.4 | Very low | 20 Ų | 20 | 79.9 Ų | 79.9 | 12% | 0.121 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -65.2 | -44.7 | 174.2 | 168.6 | 0 | 0 | 0 | 0 | 110.4 | R1230 L1231 S1237 L1238 W1289 S1311 | R1230-V1234 HydrophobicContact CG-CG2 4.17Å; R1230-V1234 WeakPolarHBondContact O-CB 3.3Å; R1230-V1234 WeakPolarHBondContact O-CG2 2.69Å; R1230-V1234 PolarHBondContact O-N 3.01Å; L1231-V1234 PolarHBondContact O-N 3.44Å; V1234-S1237 WeakPolarHBondContact CA-OG 3.25Å; V1234-S1237 PolarHBondContact O-N 3.39Å; V1234-S1237 PolarHBondContact O-OG 3.01Å; V1234-L1238 HydrophobicContact CG1-CD1 4.06Å; V1234-L1238 WeakPolarHBondContact O-CB 3.19Å; V1234-L1238 VanDerWaalsContact O-CG 3.3Å; V1234-L1238 WeakPolarHBondContact O-CG 3.28Å; V1234-L1238 PolarHBondContact O-N 3.2Å; V1234-W1289 HydrophobicContact CG1-CH2 3.78Å; V1234-W1289 HydrophobicContact CG1-CZ2 4.49Å; V1234-S1311 WeakPolarHBondContact CG1-OG 3.39Å |
| 1235 | L | 56.3 | Low | 46.5 | Very low | 8 Ų | 8 | 83 Ų | 83 | 4% | 0.042 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -68 | -42.3 | 177.8 | -66.7 | 173.7 | 0 | 0 | 0 | 111.8 | E1200 L1203 N1204 L1231 S1237 L1238 R1239 W1289 | E1200-L1235 HydrophobicContact CG-CD2 4.33Å; L1203-L1235 HydrophobicContact CB-CD1 4.03Å; L1203-L1235 HydrophobicContact CD1-CD2 4.35Å; N1204-L1235 WeakPolarHBondContact OD1-CD1 3.29Å; L1231-L1235 WeakPolarHBondContact O-CB 3.29Å; L1231-L1235 WeakPolarHBondContact O-CG 3.49Å; L1231-L1235 PolarHBondContact O-N 3.42Å; L1235-S1237 VanDerWaalsContact C-N 3.31Å; L1235-S1237 PolarHBondContact O-N 2.96Å; L1235-L1238 HydrophobicContact CD2-CD1 4.31Å; L1235-L1238 PolarHBondContact O-N 3.31Å; L1235-R1239 PolarHBondContact O-N 3.38Å; L1235-W1289 HydrophobicContact CD2-CH2 4.07Å |
| 1236 | A | 54.7 | Low | 46.3 | Very low | 64 Ų | 64 | 88 Ų | 88 | 53% | 0.529 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -62.5 | -36.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | A1232 R1239 G1240 | A1232-A1236 WeakPolarHBondContact O-CB 3.48Å; A1232-A1236 PolarHBondContact O-N 3.04Å; A1236-R1239 PolarHBondContact O-N 2.9Å; A1236-G1240 PolarHBondContact O-N 2.95Å |
| 1237 | S | 55 | Low | 45.9 | Very low | 50 Ų | 50 | 84.4 Ų | 84.4 | 35% | 0.35 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -74.2 | -36.1 | 176.1 | 51.3 | 0 | 0 | 0 | 0 | 112.8 | S1233 V1234 L1235 R1239 G1240 I1241 | S1233-S1237 VanDerWaalsContact O-CB 3.3Å; S1233-S1237 WeakPolarHBondContact O-CB 3.29Å; S1233-S1237 PolarHBondContact O-N 3.47Å; S1233-S1237 PolarHBondContact O-OG 3.18Å; V1234-S1237 WeakPolarHBondContact CA-OG 3.25Å; V1234-S1237 PolarHBondContact O-N 3.39Å; V1234-S1237 PolarHBondContact O-OG 3.01Å; L1235-S1237 VanDerWaalsContact C-N 3.31Å; L1235-S1237 PolarHBondContact O-N 2.96Å; S1237-R1239 VanDerWaalsContact C-N 3.27Å; S1237-R1239 PolarHBondContact O-N 3.34Å; S1237-G1240 PolarHBondContact O-N 3.35Å; S1237-I1241 WeakPolarHBondContact O-CG1 3.43Å; S1237-I1241 PolarHBondContact O-N 3.09Å |
| 1238 | L | 53.2 | Low | 45.2 | Very low | 20 Ų | 20 | 87 Ų | 87 | 11% | 0.105 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -59.6 | -39.6 | 169.6 | -75.3 | 169.1 | 0 | 0 | 0 | 111.3 | V1234 L1235 M1242 W1289 M1307 I1308 | V1234-L1238 HydrophobicContact CG1-CD1 4.06Å; V1234-L1238 WeakPolarHBondContact O-CB 3.19Å; V1234-L1238 VanDerWaalsContact O-CG 3.3Å; V1234-L1238 WeakPolarHBondContact O-CG 3.28Å; V1234-L1238 PolarHBondContact O-N 3.2Å; L1235-L1238 HydrophobicContact CD2-CD1 4.31Å; L1235-L1238 PolarHBondContact O-N 3.31Å; L1238-M1242 PolarHBondContact O-N 3.23Å; L1238-W1289 HydrophobicContact CD1-CZ3 4.38Å; L1238-M1307 HydrophobicContact CD2-CB 4.34Å; L1238-I1308 HydrophobicContact CD1-CG1 4.28Å; L1238-I1308 HydrophobicContact CD2-CG1 4.43Å |
| 1239 | R | 51.3 | Low | 44.7 | Very low | 164 Ų | 164 | 89.6 Ų | 89.6 | 62% | 0.619 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -66.7 | -45.1 | 172.3 | -121.3 | -176.3 | -156.8 | -145.1 | 2.2 | 112.9 | E1200 L1235 A1236 S1237 I1241 M1242 | E1200-R1239 IonicContact OE1-NE 2.69Å; L1235-R1239 PolarHBondContact O-N 3.38Å; A1236-R1239 PolarHBondContact O-N 2.9Å; S1237-R1239 VanDerWaalsContact C-N 3.27Å; S1237-R1239 PolarHBondContact O-N 3.34Å; R1239-I1241 VanDerWaalsContact C-N 3.27Å; R1239-I1241 PolarHBondContact O-N 3.4Å; R1239-M1242 VanDerWaalsContact O-CB 3.3Å; R1239-M1242 WeakPolarHBondContact O-CB 3.33Å; R1239-M1242 PolarHBondContact O-N 3.33Å |
| 1240 | G | 52.4 | Low | 43.9 | Very low | 37 Ų | 37 | 92 Ų | 92 | 38% | 0.381 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.3 | -33 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | A1236 S1237 M1242 E1243 N1244 | A1236-G1240 PolarHBondContact O-N 2.95Å; S1237-G1240 PolarHBondContact O-N 3.35Å; G1240-M1242 VanDerWaalsContact C-N 3.32Å; G1240-E1243 PolarHBondContact O-N 3Å; G1240-N1244 PolarHBondContact O-N 3.18Å |
| 1241 | I | 49.4 | Very low | 42.9 | Very low | 54 Ų | 54 | 93.9 Ų | 93.9 | 28% | 0.277 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -72 | -26.6 | 174 | -67 | 167.5 | 0 | 0 | 0 | 111.5 | S1237 R1239 E1243 M1307 | S1237-I1241 WeakPolarHBondContact O-CG1 3.43Å; S1237-I1241 PolarHBondContact O-N 3.09Å; R1239-I1241 VanDerWaalsContact C-N 3.27Å; R1239-I1241 PolarHBondContact O-N 3.4Å; I1241-E1243 PolarHBondContact O-N 2.91Å; I1241-M1307 HydrophobicContact CD1-CE 3.63Å; I1241-M1307 HydrophobicContact CD1-SD 3.46Å; I1241-M1307 WeakPolarHBondContact CD1-SD 3.3Å |
| 1242 | M | 38.9 | Very low | 41.6 | Very low | 127 Ų | 127 | 99.1 Ų | 99.1 | 63% | 0.626 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -65.2 | -21 | 173.1 | -71 | 179.1 | 56.9 | 0 | 0 | 113.1 | L1238 R1239 G1240 | L1238-M1242 PolarHBondContact O-N 3.23Å; R1239-M1242 VanDerWaalsContact O-CB 3.3Å; R1239-M1242 WeakPolarHBondContact O-CB 3.33Å; R1239-M1242 PolarHBondContact O-N 3.33Å; G1240-M1242 VanDerWaalsContact C-N 3.32Å |
| 1243 | E | 48.2 | Very low | 40.3 | Very low | 165 Ų | 165 | 100 Ų | 100 | 77% | 0.771 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -102 | -20.4 | -179.6 | -67.9 | -178.1 | 174.3 | 0 | 0 | 113.5 | G1240 I1241 | G1240-E1243 PolarHBondContact O-N 3Å; I1241-E1243 PolarHBondContact O-N 2.91Å |
| 1244 | N | 34 | Very low | 38.8 | Very low | 122 Ų | 122 | 102.3 Ų | 102.3 | 65% | 0.652 | 59% | 0.594 | S | S | * | * | trans | -145.4 | 114.1 | -178.6 | -74.1 | -54.6 | 0 | 0 | 0 | 112.7 | G1240 N1246 | G1240-N1244 PolarHBondContact O-N 3.18Å; N1244-N1246 PolarHBondContact O-N 3.31Å; N1244-N1246 VanDerWaalsContact O-N 3.14Å | ||
| 1245 | D | 29.7 | Very low | 37.3 | Very low | 155 Ų | 155 | 107.4 Ų | 107.4 | 83% | 0.829 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -72.7 | 2.2 | -178.6 | -89.1 | -28.2 | 0 | 0 | 0 | 115.5 | ||
| 1246 | N | 30.5 | Very low | 35.8 | Very low | 148 Ų | 148 | 116.5 Ų | 116.5 | 79% | 0.791 | 67% | 0.665 | S | S | * | * | trans | -128.6 | 79.5 | -171.4 | -72.3 | -32.2 | 0 | 0 | 0 | 113.3 | N1244 | N1244-N1246 PolarHBondContact O-N 3.31Å; N1244-N1246 VanDerWaalsContact O-N 3.14Å | ||
| 1247 | L | 27.9 | Very low | 34.4 | Very low | 160 Ų | 160 | 122.2 Ų | 122.2 | 84% | 0.838 | 68% | 0.677 | S | S | * | * | trans | -152.6 | 95.4 | 153.6 | -144.8 | 80.2 | 0 | 0 | 0 | 112.1 | ||||
| 1248 | S | 27.1 | Very low | 32.9 | Very low | 125 Ų | 125 | 127.9 Ų | 127.9 | 87% | 0.874 | 70% | 0.698 | S | S | * | * | trans | -78.4 | 118.7 | 165.8 | 56.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1249 | G | 25.7 | Very low | 31.9 | Very low | 63 Ų | 63 | 131.4 Ų | 131.4 | 65% | 0.649 | 72% | 0.722 | S | S | * | * | trans | 121.7 | 97.7 | 161.5 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 1250 | F | 25.2 | Very low | 30.7 | Very low | 206 Ų | 206 | 130.2 Ų | 130.2 | 90% | 0.904 | 73% | 0.728 | S | S | * | * | trans | -133.4 | 117.9 | 148.3 | -127.5 | -89.5 | 0 | 0 | 0 | 110.2 | C1252 | F1250-C1252 PolarHBondContact O-N 2.91Š| ||
| 1251 | L | 24.3 | Very low | 29.4 | Very low | 165 Ų | 165 | 138.4 Ų | 138.4 | 86% | 0.864 | 75% | 0.754 | S | S | * | * | trans | -72.8 | 106.9 | 179.7 | -69.9 | 161.1 | 0 | 0 | 0 | 108.6 | G1253 | L1251-G1253 VanDerWaalsContact C-N 3.33Å; L1251-G1253 PolarHBondContact O-N 2.83Å | ||
| 1252 | C | 26.4 | Very low | 28.4 | Very low | 118 Ų | 118 | 142.6 Ų | 142.6 | 80% | 0.797 | 78% | 0.775 | S | S | * | * | trans | -62.4 | 100.8 | 160.8 | -133.4 | 0 | 0 | 0 | 0 | 106.7 | F1250 S1254 | F1250-C1252 PolarHBondContact O-N 2.91Å; C1252-S1254 PolarHBondContact O-N 3.47Å; C1252-S1254 VanDerWaalsContact O-N 3.1Å | ||
| 1253 | G | 23.9 | Very low | 27.9 | Very low | 67 Ų | 67 | 145.5 Ų | 145.5 | 69% | 0.691 | 79% | 0.787 | S | S | * | * | trans | -50 | 119.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | L1251 V1255 | L1251-G1253 VanDerWaalsContact C-N 3.33Å; L1251-G1253 PolarHBondContact O-N 2.83Å; G1253-V1255 PolarHBondContact O-N 2.85Å; G1253-V1255 VanDerWaalsContact O-N 3.08Å | ||
| 1254 | S | 24 | Very low | 26.8 | Very low | 110 Ų | 110 | 144.3 Ų | 144.3 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | trans | -44.1 | 116.5 | 179.1 | -55.7 | 0 | 0 | 0 | 0 | 110 | C1252 K1256 | C1252-S1254 PolarHBondContact O-N 3.47Å; C1252-S1254 VanDerWaalsContact O-N 3.1Å; S1254-K1256 PolarHBondContact O-N 3.28Å | ||
| 1255 | V | 25.5 | Very low | 26.4 | Very low | 127 Ų | 127 | 147.6 Ų | 147.6 | 77% | 0.77 | 80% | 0.798 | S | S | * | * | trans | -58.1 | 97.1 | 163.7 | 176.5 | 0 | 0 | 0 | 0 | 105.5 | G1253 K1257 | G1253-V1255 PolarHBondContact O-N 2.85Å; G1253-V1255 VanDerWaalsContact O-N 3.08Å; V1255-K1257 HydrophobicContact CG1-CG 4.4Å; V1255-K1257 PolarHBondContact O-N 3.49Å | ||
| 1256 | K | 24.4 | Very low | 26.2 | Very low | 200 Ų | 200 | 145.3 Ų | 145.3 | 87% | 0.87 | 79% | 0.793 | S | S | * | * | trans | -61.9 | 90.9 | 163.3 | -75.9 | -174.3 | 177.6 | -177.9 | 0 | 105.4 | S1254 H1258 | S1254-K1256 PolarHBondContact O-N 3.28Å; K1256-H1258 VanDerWaalsContact C-N 3.32Å; K1256-H1258 PolarHBondContact O-N 2.92Å | ||
| 1257 | K | 25.9 | Very low | 26.2 | Very low | 184 Ų | 184 | 143.8 Ų | 143.8 | 80% | 0.8 | 79% | 0.793 | S | S | * | * | trans | -56.7 | 104.1 | 160 | -74.3 | -175.1 | 174.5 | -174 | 0 | 104.9 | V1255 P1259 | V1255-K1257 HydrophobicContact CG1-CG 4.4Å; V1255-K1257 PolarHBondContact O-N 3.49Å; K1257-P1259 VanDerWaalsContact O-CD 3.24Å; K1257-P1259 WeakPolarHBondContact O-CD 3.29Å | ||
| 1258 | H | 22.9 | Very low | 26.5 | Very low | 168 Ų | 168 | 141.6 Ų | 141.6 | 78% | 0.778 | 79% | 0.786 | S | S | * | * | trans | -69 | 111.4 | 159.1 | -148.1 | -64.9 | 0 | 0 | 0 | 104.3 | K1256 | K1256-H1258 VanDerWaalsContact C-N 3.32Å; K1256-H1258 PolarHBondContact O-N 2.92Å | ||
| 1259 | P | 31.8 | Very low | 27 | Very low | 95 Ų | 95 | 144.1 Ų | 144.1 | 62% | 0.617 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -66 | 153.5 | 165.7 | 32.9 | -29.1 | 0 | 0 | 0 | 106.5 | K1257 | K1257-P1259 VanDerWaalsContact O-CD 3.24Å; K1257-P1259 WeakPolarHBondContact O-CD 3.29Å |
| 1260 | D | 26.2 | Very low | 27.8 | Very low | 139 Ų | 139 | 147.2 Ų | 147.2 | 74% | 0.743 | 78% | 0.783 | S | S | * | * | trans | 110.9 | 20.2 | 176.7 | -50 | -16.1 | 0 | 0 | 0 | 116.4 | ||||
| 1261 | F | 25.4 | Very low | 29 | Very low | 209 Ų | 209 | 143.8 Ų | 143.8 | 92% | 0.917 | 77% | 0.774 | S | S | * | * | trans | -100 | 87 | 149.4 | -95.9 | -89.7 | 0 | 0 | 0 | 109.1 | E1263 | F1261-E1263 PolarHBondContact O-N 3.43Š| ||
| 1262 | I | 29.4 | Very low | 30.6 | Very low | 142 Ų | 142 | 140.8 Ų | 140.8 | 73% | 0.728 | 76% | 0.759 | S | S | * | * | trans | -53.6 | 128.1 | 162.6 | -69.3 | 168.7 | 0 | 0 | 0 | 107.2 | N1264 | I1262-N1264 PolarHBondContact O-N 3.23Š| ||
| 1263 | E | 26.7 | Very low | 32.2 | Very low | 187 Ų | 187 | 137.8 Ų | 137.8 | 87% | 0.874 | 74% | 0.738 | S | S | * | * | trans | -53.5 | 82.9 | 171.2 | -68.4 | 169.8 | 156.7 | 0 | 0 | 109.9 | F1261 E1265 | F1261-E1263 PolarHBondContact O-N 3.43Å; E1263-E1265 PolarHBondContact O-N 3.22Å | ||
| 1264 | N | 26.7 | Very low | 34.1 | Very low | 141 Ų | 141 | 138.8 Ų | 138.8 | 75% | 0.754 | 73% | 0.725 | S | S | * | * | trans | -80.5 | 104.4 | 154.3 | -82.7 | -10.5 | 0 | 0 | 0 | 105.4 | I1262 C1266 | I1262-N1264 PolarHBondContact O-N 3.23Å; N1264-C1266 PolarHBondContact O-N 2.93Å | ||
| 1265 | E | 25.9 | Very low | 36 | Very low | 191 Ų | 191 | 135.6 Ų | 135.6 | 89% | 0.893 | 70% | 0.703 | S | S | * | * | trans | -45.1 | 86.1 | 160.1 | -73.5 | 178.6 | 145.4 | 0 | 0 | 108.9 | E1263 S1267 | E1263-E1265 PolarHBondContact O-N 3.22Å; E1265-S1267 VanDerWaalsContact C-N 3.3Å; E1265-S1267 PolarHBondContact O-N 3.23Å | ||
| 1266 | C | 25 | Very low | 38 | Very low | 107 Ų | 107 | 136.1 Ų | 136.1 | 72% | 0.723 | 69% | 0.691 | S | S | * | * | trans | -67.2 | 103.7 | 158.9 | -93.8 | 0 | 0 | 0 | 0 | 104.6 | N1264 V1268 | N1264-C1266 PolarHBondContact O-N 2.93Å; C1266-V1268 HydrophobicContact CB-CG2 4.1Å; C1266-V1268 PolarHBondContact O-N 2.6Å | ||
| 1267 | S | 30.5 | Very low | 40.2 | Very low | 116 Ų | 116 | 127.3 Ų | 127.3 | 81% | 0.811 | 65% | 0.653 | S | S | * | * | trans | -58.5 | 70.3 | 158.6 | 48 | 0 | 0 | 0 | 0 | 109.3 | E1265 K1269 | E1265-S1267 VanDerWaalsContact C-N 3.3Å; E1265-S1267 PolarHBondContact O-N 3.23Å; S1267-K1269 PolarHBondContact O-N 3Å | ||
| 1268 | V | 34.6 | Very low | 42.3 | Very low | 113 Ų | 113 | 122 Ų | 122 | 69% | 0.685 | 63% | 0.634 | S | S | * | * | trans | -66.3 | 107.5 | 164.3 | -178.8 | 0 | 0 | 0 | 0 | 104.2 | C1266 D1270 | C1266-V1268 HydrophobicContact CB-CG2 4.1Å; C1266-V1268 PolarHBondContact O-N 2.6Å; V1268-D1270 PolarHBondContact O-N 3.4Å | ||
| 1269 | K | 36.8 | Very low | 44.7 | Very low | 179 Ų | 179 | 118 Ų | 118 | 78% | 0.778 | 62% | 0.621 | S | S | * | * | trans | -50.4 | 108.9 | 176.6 | -67.6 | 176.1 | 175.5 | 178.4 | 0 | 108.3 | S1267 N1271 | S1267-K1269 PolarHBondContact O-N 3Å; K1269-N1271 PolarHBondContact O-N 3.27Å | ||
| 1270 | D | 42.5 | Very low | 46.9 | Very low | 127 Ų | 127 | 115.7 Ų | 115.7 | 68% | 0.679 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.1 | 19.8 | -177.7 | -89.5 | -34.9 | 0 | 0 | 0 | 115.7 | V1268 | V1268-D1270 PolarHBondContact O-N 3.4Š|
| 1271 | N | 49.6 | Very low | 49.4 | Very low | 135 Ų | 135 | 109.9 Ų | 109.9 | 72% | 0.722 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.4 | 6.6 | -174.6 | -71.2 | -12.4 | 0 | 0 | 0 | 113.5 | K1269 P1273 | K1269-N1271 PolarHBondContact O-N 3.27Å; N1271-P1273 VanDerWaalsContact O-CD 3.24Å; N1271-P1273 WeakPolarHBondContact O-CD 3.27Å |
| 1272 | D | 59.1 | Low | 51.8 | Low | 102 Ų | 102 | 102 Ų | 102 | 55% | 0.545 | 54% | 0.542 | S | S | . | . | trans | -83.4 | 111.9 | 178 | -152.3 | -0.4 | 0 | 0 | 0 | 110.1 | Q1274 S1275 | D1272-Q1274 PolarHBondContact O-N 3.14Å; D1272-S1275 PolarHBondContact O-N 2.85Å; D1272-S1275 PolarHBondContact O-OG 2.99Å | ||
| 1273 | P | 59.8 | Low | 54.1 | Low | 55 Ų | 55 | 99.3 Ų | 99.3 | 36% | 0.357 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -55.2 | -26.9 | -176.5 | 18 | -31.6 | 0 | 0 | 0 | 113.8 | S1168 N1271 I1277 | S1168-P1273 PolarHBondContact OG-O 2.96Å; N1271-P1273 VanDerWaalsContact O-CD 3.24Å; N1271-P1273 WeakPolarHBondContact O-CD 3.27Å; P1273-I1277 PolarHBondContact O-N 3.12Å |
| 1274 | Q | 62.3 | Low | 56.8 | Low | 87 Ų | 87 | 90.8 Ų | 90.8 | 41% | 0.407 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -70.6 | -35 | 178.9 | -164.5 | 65.6 | 3.6 | 0 | 0 | 112.8 | D1272 R1276 I1277 N1278 | D1272-Q1274 PolarHBondContact O-N 3.14Å; Q1274-R1276 VanDerWaalsContact C-N 3.31Å; Q1274-R1276 PolarHBondContact O-N 3.43Å; Q1274-I1277 PolarHBondContact O-N 3.3Å; Q1274-N1278 VanDerWaalsContact O-CG 3.29Å; Q1274-N1278 PolarHBondContact O-N 3.02Å; Q1274-N1278 PolarHBondContact O-ND2 3.38Å |
| 1275 | S | 65.7 | Low | 59.4 | Low | 44 Ų | 44 | 85.1 Ų | 85.1 | 31% | 0.308 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -64.1 | -40.4 | 177.5 | 73.7 | 0 | 0 | 0 | 0 | 110.8 | D1272 I1277 N1278 T1279 | D1272-S1275 PolarHBondContact O-N 2.85Å; D1272-S1275 PolarHBondContact O-OG 2.99Å; S1275-I1277 PolarHBondContact O-N 3.48Å; S1275-N1278 PolarHBondContact O-N 3.2Å; S1275-T1279 PolarHBondContact O-N 3.19Å; S1275-T1279 PolarHBondContact O-OG1 3.32Å; S1275-T1279 VanDerWaalsContact O-OG1 3.07Å |
| 1276 | R | 67.7 | Low | 62 | Low | 138 Ų | 138 | 76.1 Ų | 76.1 | 52% | 0.521 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -64.9 | -36 | 176.6 | -66.3 | -176.7 | 176.8 | -167.6 | -2.3 | 113.3 | Q1274 R1280 | Q1274-R1276 VanDerWaalsContact C-N 3.31Å; Q1274-R1276 PolarHBondContact O-N 3.43Å; R1276-R1280 WeakPolarHBondContact O-CG 3.32Å; R1276-R1280 PolarHBondContact O-N 3.49Å; R1276-R1280 PolarHBondContact O-NE 3.02Å |
| 1277 | I | 69.2 | Low | 64.9 | Low | 15 Ų | 15 | 73.1 Ų | 73.1 | 8% | 0.077 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -66.8 | -46.7 | 174.1 | -69.3 | 170.6 | 0 | 0 | 0 | 109.3 | P1273 Q1274 S1275 T1279 R1280 L1281 | P1273-I1277 PolarHBondContact O-N 3.12Å; Q1274-I1277 PolarHBondContact O-N 3.3Å; S1275-I1277 PolarHBondContact O-N 3.48Å; I1277-T1279 VanDerWaalsContact C-N 3.33Å; I1277-T1279 PolarHBondContact O-N 3.14Å; I1277-R1280 PolarHBondContact O-N 3.45Å; I1277-R1280 VanDerWaalsContact O-N 3.16Å; I1277-L1281 HydrophobicContact CG2-CD1 3.71Å; I1277-L1281 HydrophobicContact CG2-CG 4.13Å; I1277-L1281 WeakPolarHBondContact O-CG 3.36Å; I1277-L1281 PolarHBondContact O-N 3.27Å |
| 1278 | N | 71 | Confident | 67.5 | Low | 73 Ų | 73 | 67.6 Ų | 67.6 | 39% | 0.39 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -60.3 | -41 | -179.4 | -70.4 | -19.9 | 0 | 0 | 0 | 112.4 | Q1274 S1275 L1281 A1282 | Q1274-N1278 VanDerWaalsContact O-CG 3.29Å; Q1274-N1278 PolarHBondContact O-N 3.02Å; Q1274-N1278 PolarHBondContact O-ND2 3.38Å; S1275-N1278 PolarHBondContact O-N 3.2Å; N1278-L1281 PolarHBondContact O-N 3.44Å; N1278-A1282 WeakPolarHBondContact O-CB 3.29Å; N1278-A1282 PolarHBondContact O-N 2.94Å |
| 1279 | T | 73.5 | Confident | 69.8 | Low | 82 Ų | 82 | 62.4 Ų | 62.4 | 50% | 0.503 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -62.1 | -46.2 | 174.9 | -53 | 0 | 0 | 0 | 0 | 111.6 | S1275 I1277 L1281 A1282 D1283 | S1275-T1279 PolarHBondContact O-N 3.19Å; S1275-T1279 PolarHBondContact O-OG1 3.32Å; S1275-T1279 VanDerWaalsContact O-OG1 3.07Å; I1277-T1279 VanDerWaalsContact C-N 3.33Å; I1277-T1279 PolarHBondContact O-N 3.14Å; T1279-L1281 VanDerWaalsContact C-N 3.35Å; T1279-L1281 PolarHBondContact O-N 3Å; T1279-A1282 PolarHBondContact O-N 3.43Å; T1279-D1283 PolarHBondContact O-N 3.44Å |
| 1280 | R | 77.4 | Confident | 72.1 | Confident | 48 Ų | 48 | 55.5 Ų | 55.5 | 18% | 0.181 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.5 | -39.5 | 177.4 | -75.1 | -177.5 | -84.2 | 166.1 | -13.4 | 112.6 | S1168 E1173 R1276 I1277 D1283 L1284 | S1168-R1280 PolarHBondContact O-NH2 3.27Å; S1168-R1280 PolarHBondContact OG-NH2 3.23Å; S1168-R1280 VanDerWaalsContact OG-NH2 3.07Å; E1173-R1280 IonicContact OE1-NH1 3.61Å; E1173-R1280 IonicContact OE2-CZ 3.85Å; E1173-R1280 IonicContact OE2-NH1 2.72Å; E1173-R1280 PolarHBondContact OE2-NH1 3.02Å; E1173-R1280 VanDerWaalsContact OE2-NH1 3.16Å; R1276-R1280 WeakPolarHBondContact O-CG 3.32Å; R1276-R1280 PolarHBondContact O-N 3.49Å; R1276-R1280 PolarHBondContact O-NE 3.02Å; I1277-R1280 PolarHBondContact O-N 3.45Å; I1277-R1280 VanDerWaalsContact O-N 3.16Å; R1280-D1283 PolarHBondContact O-N 3Å; R1280-L1284 WeakPolarHBondContact O-CG 3.42Å; R1280-L1284 PolarHBondContact O-N 3.33Å; R1280-L1284 VanDerWaalsContact O-N 3.1Å |
| 1281 | L | 78.3 | Confident | 74.2 | Confident | 16 Ų | 16 | 51.2 Ų | 51.2 | 8% | 0.084 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67.3 | -38.8 | 176.4 | -69.3 | 173.6 | 0 | 0 | 0 | 111.7 | E1173 L1206 I1277 N1278 T1279 D1283 L1284 E1285 | E1173-L1281 HydrophobicContact CB-CD2 4.18Å; L1206-L1281 HydrophobicContact CD2-CB 4.24Å; L1206-L1281 HydrophobicContact CD2-CD2 3.77Å; L1206-L1281 HydrophobicContact CD2-CG 4.48Å; I1277-L1281 HydrophobicContact CG2-CD1 3.71Å; I1277-L1281 HydrophobicContact CG2-CG 4.13Å; I1277-L1281 WeakPolarHBondContact O-CG 3.36Å; I1277-L1281 PolarHBondContact O-N 3.27Å; N1278-L1281 PolarHBondContact O-N 3.44Å; T1279-L1281 VanDerWaalsContact C-N 3.35Å; T1279-L1281 PolarHBondContact O-N 3Å; L1281-D1283 VanDerWaalsContact C-N 3.35Å; L1281-L1284 PolarHBondContact O-N 3.27Å; L1281-E1285 PolarHBondContact O-N 3.25Å |
| 1282 | A | 75.3 | Confident | 75.8 | Confident | 44 Ų | 44 | 45.2 Ų | 45.2 | 36% | 0.364 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -63.6 | -39.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | N1278 T1279 E1285 A1286 | N1278-A1282 WeakPolarHBondContact O-CB 3.29Å; N1278-A1282 PolarHBondContact O-N 2.94Å; T1279-A1282 PolarHBondContact O-N 3.43Å; A1282-E1285 WeakPolarHBondContact O-CB 3.48Å; A1282-E1285 PolarHBondContact O-N 2.97Å; A1282-A1286 WeakPolarHBondContact O-CB 3.29Å; A1282-A1286 PolarHBondContact O-N 3.43Å |
| 1283 | D | 78.8 | Confident | 77.1 | Confident | 86 Ų | 86 | 40.4 Ų | 40.4 | 46% | 0.46 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -64.6 | -39.5 | 174.9 | -71.1 | -23.1 | 0 | 0 | 0 | 112.2 | T1279 R1280 L1281 T1287 | T1279-D1283 PolarHBondContact O-N 3.44Å; R1280-D1283 PolarHBondContact O-N 3Å; L1281-D1283 VanDerWaalsContact C-N 3.35Å; D1283-T1287 PolarHBondContact O-N 3.21Å; D1283-T1287 PolarHBondContact O-OG1 3.49Å |
| 1284 | L | 82.4 | Confident | 78.3 | Confident | 8 Ų | 8 | 42.4 Ų | 42.4 | 4% | 0.042 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65.6 | -44 | 174.4 | -71.2 | 172.3 | 0 | 0 | 0 | 111.2 | E1173 I1176 R1177 M1180 R1280 L1281 A1286 T1287 L1288 | E1173-L1284 HydrophobicContact CG-CD1 3.73Å; I1176-L1284 HydrophobicContact CG2-CB 4.42Å; I1176-L1284 HydrophobicContact CG2-CD1 4.3Å; R1177-L1284 HydrophobicContact CG-CD1 4.22Å; R1177-L1284 HydrophobicContact CG-CD2 4.07Å; M1180-L1284 HydrophobicContact CE-CD2 4.35Å; M1180-L1284 HydrophobicContact SD-CD2 3.64Å; R1280-L1284 WeakPolarHBondContact O-CG 3.42Å; R1280-L1284 PolarHBondContact O-N 3.33Å; R1280-L1284 VanDerWaalsContact O-N 3.1Å; L1281-L1284 PolarHBondContact O-N 3.27Å; L1284-A1286 PolarHBondContact O-N 3.19Å; L1284-T1287 WeakPolarHBondContact O-CA 3.46Å; L1284-T1287 WeakPolarHBondContact O-CB 3.32Å; L1284-T1287 PolarHBondContact O-N 2.75Å; L1284-T1287 VanDerWaalsContact O-N 3.08Å; L1284-L1288 WeakPolarHBondContact O-CG 3.42Å; L1284-L1288 PolarHBondContact O-N 3.33Å |
| 1285 | E | 81.4 | Confident | 79.3 | Confident | 22 Ų | 22 | 39 Ų | 39 | 10% | 0.103 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -56.4 | -50 | 175.6 | -163.3 | -165.2 | 144.5 | 0 | 0 | 111 | L1203 L1206 L1281 A1282 T1287 L1288 W1289 | L1203-E1285 HydrophobicContact CD2-CG 3.79Å; L1206-E1285 HydrophobicContact CD1-CB 3.9Å; L1206-E1285 HydrophobicContact CD1-CG 4.09Å; L1281-E1285 PolarHBondContact O-N 3.25Å; A1282-E1285 WeakPolarHBondContact O-CB 3.48Å; A1282-E1285 PolarHBondContact O-N 2.97Å; E1285-T1287 PolarHBondContact O-N 3.28Å; E1285-L1288 PolarHBondContact O-N 2.52Å; E1285-W1289 PolarHBondContact O-N 2.69Å; E1285-W1289 PolarHBondContact OE1-NE1 3.06Å; E1285-W1289 VanDerWaalsContact OE1-NE1 3.13Å |
| 1286 | A | 81 | Confident | 80.1 | Confident | 2 Ų | 2 | 37.8 Ų | 37.8 | 2% | 0.017 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.7 | -31.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | A1282 L1284 T1290 P1313 D1314 | A1282-A1286 WeakPolarHBondContact O-CB 3.29Å; A1282-A1286 PolarHBondContact O-N 3.43Å; L1284-A1286 PolarHBondContact O-N 3.19Å; A1286-T1290 WeakPolarHBondContact O-CB 3.1Å; A1286-T1290 PolarHBondContact O-N 2.93Å; A1286-T1290 VanDerWaalsContact O-N 3.12Å; A1286-T1290 PolarHBondContact O-OG1 3.12Å; A1286-P1313 HydrophobicContact CB-CG 4.35Å; A1286-D1314 HydrophobicContact CB-CB 3.82Å |
| 1287 | T | 85 | Confident | 80.8 | Confident | 43 Ų | 43 | 31.2 Ų | 31.2 | 26% | 0.264 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -71.7 | -42.8 | 175.6 | -48.1 | 0 | 0 | 0 | 0 | 112.6 | M1180 D1283 L1284 E1285 T1290 R1291 R1317 | M1180-T1287 HydrophobicContact CE-CG2 3.36Å; D1283-T1287 PolarHBondContact O-N 3.21Å; D1283-T1287 PolarHBondContact O-OG1 3.49Å; L1284-T1287 WeakPolarHBondContact O-CA 3.46Å; L1284-T1287 WeakPolarHBondContact O-CB 3.32Å; L1284-T1287 PolarHBondContact O-N 2.75Å; L1284-T1287 VanDerWaalsContact O-N 3.08Å; E1285-T1287 PolarHBondContact O-N 3.28Å; T1287-T1290 PolarHBondContact O-N 3.22Å; T1287-R1291 WeakPolarHBondContact O-CB 3.5Å; T1287-R1291 PolarHBondContact O-N 3.39Å; T1287-R1317 VanDerWaalsContact CB-NH1 3.3Å; T1287-R1317 PolarHBondContact OG1-NH1 3.07Å; T1287-R1317 PolarHBondContact OG1-NH2 2.97Å |
| 1288 | L | 85.9 | Confident | 81.3 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.7 | -45.9 | 175.5 | -71.2 | 167 | 0 | 0 | 0 | 111.2 | I1176 M1180 M1183 C1202 L1203 L1206 L1284 E1285 T1290 R1291 M1292 | I1176-L1288 HydrophobicContact CG2-CD1 4.03Å; M1180-L1288 HydrophobicContact CG-CD2 3.71Å; M1180-L1288 HydrophobicContact CG-CG 4.47Å; M1180-L1288 HydrophobicContact SD-CD2 4.05Å; M1180-L1288 HydrophobicContact SD-CG 4.18Å; M1183-L1288 HydrophobicContact CE-CD2 4.01Å; M1183-L1288 HydrophobicContact SD-CD2 4.27Å; C1202-L1288 HydrophobicContact CB-CD1 3.52Å; C1202-L1288 HydrophobicContact CB-CD2 3.9Å; C1202-L1288 HydrophobicContact CB-CG 4.37Å; L1203-L1288 HydrophobicContact CD2-CB 3.95Å; L1203-L1288 HydrophobicContact CD2-CD1 4.11Å; L1203-L1288 HydrophobicContact CG-CB 4.2Å; L1203-L1288 HydrophobicContact CG-CD1 4.34Å; L1206-L1288 HydrophobicContact CD1-CD1 3.87Å; L1284-L1288 WeakPolarHBondContact O-CG 3.42Å; L1284-L1288 PolarHBondContact O-N 3.33Å; E1285-L1288 PolarHBondContact O-N 2.52Å; L1288-T1290 PolarHBondContact O-N 2.71Å; L1288-R1291 PolarHBondContact O-N 3.15Å; L1288-R1291 VanDerWaalsContact O-N 3.16Å; L1288-M1292 WeakPolarHBondContact O-CG 3.26Å; L1288-M1292 PolarHBondContact O-N 3.04Å |
| 1289 | W | 84.1 | Confident | 81.8 | Confident | 4 Ų | 4 | 34.4 Ų | 34.4 | 2% | 0.015 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.9 | -43.6 | 175.9 | -75.1 | 123.6 | 0 | 0 | 0 | 112.9 | L1203 L1231 V1234 L1235 L1238 E1285 R1291 M1292 F1293 I1308 N1312 | L1203-W1289 HydrophobicContact CD1-CD2 3.84Å; L1203-W1289 HydrophobicContact CD1-CE3 3.74Å; L1203-W1289 HydrophobicContact CD1-CH2 3.86Å; L1203-W1289 HydrophobicContact CD1-CZ2 3.92Å; L1203-W1289 HydrophobicContact CD1-CZ3 3.76Å; L1203-W1289 HydrophobicContact CD2-CD2 4.34Å; L1203-W1289 HydrophobicContact CD2-CZ2 4.47Å; L1231-W1289 HydrophobicContact CD2-CH2 4.46Å; L1231-W1289 HydrophobicContact CD2-CZ2 3.5Å; L1231-W1289 VanDerWaalsContact CD2-CZ2 3.5Å; V1234-W1289 HydrophobicContact CG1-CH2 3.78Å; V1234-W1289 HydrophobicContact CG1-CZ2 4.49Å; L1235-W1289 HydrophobicContact CD2-CH2 4.07Å; L1238-W1289 HydrophobicContact CD1-CZ3 4.38Å; E1285-W1289 PolarHBondContact O-N 2.69Å; E1285-W1289 PolarHBondContact OE1-NE1 3.06Å; E1285-W1289 VanDerWaalsContact OE1-NE1 3.13Å; W1289-R1291 VanDerWaalsContact C-N 3.28Å; W1289-R1291 PolarHBondContact O-N 3.4Å; W1289-M1292 HydrophobicContact CE3-SD 4.27Å; W1289-M1292 HydrophobicContact CZ3-SD 4.38Å; W1289-M1292 PolarHBondContact O-N 3.42Å; W1289-F1293 WeakPolarHBondContact O-CB 3.43Å; W1289-F1293 PolarHBondContact O-N 3.45Å; W1289-I1308 HydrophobicContact CE3-CG2 3.81Å; W1289-I1308 HydrophobicContact CZ3-CG1 4.43Å; W1289-I1308 HydrophobicContact CZ3-CG2 4.36Å; W1289-I1308 WeakPolarHBondContact O-CG2 3.33Å; W1289-N1312 HydrophobicContact CB-CB 3.96Å; W1289-N1312 HydrophobicContact CG-CB 4.47Å |
| 1290 | T | 84.4 | Confident | 81.9 | Confident | 35 Ų | 35 | 31.3 Ų | 31.3 | 22% | 0.215 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.4 | -37.9 | 176.7 | -55.4 | 0 | 0 | 0 | 0 | 111.4 | A1286 T1287 L1288 F1293 K1294 N1312 | A1286-T1290 WeakPolarHBondContact O-CB 3.1Å; A1286-T1290 PolarHBondContact O-N 2.93Å; A1286-T1290 VanDerWaalsContact O-N 3.12Å; A1286-T1290 PolarHBondContact O-OG1 3.12Å; T1287-T1290 PolarHBondContact O-N 3.22Å; L1288-T1290 PolarHBondContact O-N 2.71Å; T1290-F1293 WeakPolarHBondContact O-CB 3.46Å; T1290-K1294 PolarHBondContact O-N 2.96Å; T1290-K1294 VanDerWaalsContact O-N 3.07Å; T1290-N1312 PolarHBondContact OG1-ND2 3.41Å; T1290-N1312 VanDerWaalsContact OG1-ND2 3.15Å |
| 1291 | R | 85.7 | Confident | 82.1 | Confident | 36 Ų | 36 | 31.8 Ų | 31.8 | 14% | 0.136 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -70.9 | -45.1 | 178.7 | -164 | 176.5 | -159.2 | 154.2 | 6.3 | 112.2 | M1180 M1183 E1187 T1287 L1288 W1289 F1293 K1294 H1295 | M1180-R1291 PolarHBondContact O-NH1 3.02Å; M1183-R1291 VanDerWaalsContact C-NH2 3.34Å; E1187-R1291 IonicContact OE1-CZ 3.48Å; E1187-R1291 VanDerWaalsContact OE1-CZ 3.31Å; E1187-R1291 IonicContact OE1-NE 2.73Å; E1187-R1291 PolarHBondContact OE1-NE 3.06Å; E1187-R1291 IonicContact OE1-NH2 2.83Å; E1187-R1291 PolarHBondContact OE1-NH2 3.18Å; E1187-R1291 VanDerWaalsContact OE1-NH2 3.12Å; E1187-R1291 IonicContact OE2-CZ 2.73Å; E1187-R1291 IonicContact OE2-NE 3.11Å; E1187-R1291 IonicContact OE2-NH2 3.64Å; E1187-R1291 PolarHBondContact OE2-NH2 2.95Å; T1287-R1291 WeakPolarHBondContact O-CB 3.5Å; T1287-R1291 PolarHBondContact O-N 3.39Å; L1288-R1291 PolarHBondContact O-N 3.15Å; L1288-R1291 VanDerWaalsContact O-N 3.16Å; W1289-R1291 VanDerWaalsContact C-N 3.28Å; W1289-R1291 PolarHBondContact O-N 3.4Å; R1291-F1293 VanDerWaalsContact C-N 3.3Å; R1291-F1293 PolarHBondContact O-N 3.26Å; R1291-K1294 PolarHBondContact O-N 3.4Å; R1291-H1295 PolarHBondContact O-CD2 2.91Å; R1291-H1295 PolarHBondContact O-N 2.89Å |
| 1292 | M | 84 | Confident | 82.1 | Confident | 10 Ų | 10 | 31.2 Ų | 31.2 | 5% | 0.049 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -58.9 | -43.6 | 173.5 | -73.6 | -177.7 | 72.7 | 0 | 0 | 111.5 | L1196 A1199 L1203 L1288 W1289 K1294 H1295 E1296 I1308 | L1196-M1292 HydrophobicContact CD2-CB 4.28Å; L1196-M1292 HydrophobicContact CD2-CG 4.33Å; A1199-M1292 HydrophobicContact CB-CG 3.3Å; A1199-M1292 HydrophobicContact CB-SD 3.72Å; L1203-M1292 HydrophobicContact CD1-SD 3.42Å; L1203-M1292 WeakPolarHBondContact CD1-SD 3.47Å; L1288-M1292 WeakPolarHBondContact O-CG 3.26Å; L1288-M1292 PolarHBondContact O-N 3.04Å; W1289-M1292 HydrophobicContact CE3-SD 4.27Å; W1289-M1292 HydrophobicContact CZ3-SD 4.38Å; W1289-M1292 PolarHBondContact O-N 3.42Å; M1292-K1294 PolarHBondContact O-N 3.31Å; M1292-H1295 PolarHBondContact O-N 3.38Å; M1292-E1296 PolarHBondContact O-N 2.71Å; M1292-I1308 HydrophobicContact CB-CD1 4.29Å; M1292-I1308 HydrophobicContact CB-CG2 4.29Å |
| 1293 | F | 86.1 | Confident | 82.1 | Confident | 1 Ų | 1 | 33.2 Ų | 33.2 | 0% | 0.004 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -55 | -50.6 | 175 | 168.9 | -95.2 | 0 | 0 | 0 | 111.5 | W1289 T1290 R1291 H1295 E1296 L1297 A1305 I1308 L1309 C1321 Q1324 L1325 | W1289-F1293 WeakPolarHBondContact O-CB 3.43Å; W1289-F1293 PolarHBondContact O-N 3.45Å; T1290-F1293 WeakPolarHBondContact O-CB 3.46Å; R1291-F1293 VanDerWaalsContact C-N 3.3Å; R1291-F1293 PolarHBondContact O-N 3.26Å; F1293-H1295 VanDerWaalsContact C-N 3.25Å; F1293-H1295 PolarHBondContact O-N 2.88Å; F1293-E1296 PolarHBondContact O-N 3.25Å; F1293-L1297 HydrophobicContact CE1-CD2 3.8Å; F1293-L1297 HydrophobicContact CZ-CD1 4.41Å; F1293-L1297 HydrophobicContact CZ-CD2 3.78Å; F1293-L1297 WeakPolarHBondContact O-CB 3.45Å; F1293-L1297 PolarHBondContact O-N 3.29Å; F1293-A1305 HydrophobicContact CD2-CB 4.11Å; F1293-A1305 VanDerWaalsContact CD2-O 3.31Å; F1293-A1305 WeakPolarHBondContact CD2-O 3.49Å; F1293-A1305 HydrophobicContact CE2-CB 4.02Å; F1293-I1308 HydrophobicContact CB-CG2 3.84Å; F1293-L1309 HydrophobicContact CD2-CB 3.98Å; F1293-L1309 HydrophobicContact CE2-CB 4.14Å; F1293-L1309 HydrophobicContact CE2-CD1 4.01Å; F1293-C1321 HydrophobicContact CD1-CB 3.57Å; F1293-C1321 VanDerWaalsContact CD1-SG 3.56Å; F1293-C1321 HydrophobicContact CD2-CB 4.2Å; F1293-C1321 HydrophobicContact CE1-CB 3.6Å; F1293-C1321 VanDerWaalsContact CE1-O 3.27Å; F1293-C1321 WeakPolarHBondContact CE1-O 3.47Å; F1293-C1321 HydrophobicContact CE2-CB 4.22Å; F1293-C1321 HydrophobicContact CG-CB 3.91Å; F1293-C1321 HydrophobicContact CZ-CB 3.95Å; F1293-C1321 WeakPolarHBondContact CZ-O 3.37Å; F1293-Q1324 HydrophobicContact CE1-CB 4.08Å; F1293-Q1324 HydrophobicContact CE1-CG 4.42Å; F1293-L1325 HydrophobicContact CE2-CB 4.18Å; F1293-L1325 HydrophobicContact CE2-CD1 4.34Å; F1293-L1325 HydrophobicContact CZ-CB 3.77Å; F1293-L1325 HydrophobicContact CZ-CD1 4.47Å |
| 1294 | K | 84.7 | Confident | 82 | Confident | 97 Ų | 97 | 30.8 Ų | 30.8 | 42% | 0.422 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -56.9 | -39.7 | -179.9 | -178.4 | -179.8 | 177.5 | -171.3 | 0 | 112.1 | T1290 R1291 M1292 V1298 | T1290-K1294 PolarHBondContact O-N 2.96Å; T1290-K1294 VanDerWaalsContact O-N 3.07Å; R1291-K1294 PolarHBondContact O-N 3.4Å; M1292-K1294 PolarHBondContact O-N 3.31Å; K1294-V1298 VanDerWaalsContact O-CG2 3.3Å; K1294-V1298 WeakPolarHBondContact O-CG2 3.4Å; K1294-V1298 PolarHBondContact O-N 2.81Å; K1294-V1298 VanDerWaalsContact O-N 3.16Å |
| 1295 | H | 84.7 | Confident | 82 | Confident | 14 Ų | 14 | 30.4 Ų | 30.4 | 7% | 0.065 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -78.3 | -44.3 | -177.3 | -77.1 | -50.9 | 0 | 0 | 0 | 113.7 | E1187 V1192 I1195 L1196 R1291 M1292 F1293 L1297 V1298 L1299 | E1187-H1295 WeakPolarHBondContact CG-NE2 3.37Å; E1187-H1295 IonicContact OE1-CD2 3.17Å; E1187-H1295 IonicContact OE1-CE1 2.74Å; E1187-H1295 IonicContact OE1-NE2 3.35Å; E1187-H1295 PolarHBondContact OE1-NE2 3.07Å; V1192-H1295 HydrophobicContact CG1-CB 3.73Å; I1195-H1295 WeakPolarHBondContact CG2-CD2 3.45Å; L1196-H1295 HydrophobicContact CD2-CB 3.8Å; L1196-H1295 HydrophobicContact CG-CB 4.3Å; R1291-H1295 PolarHBondContact O-CD2 2.91Å; R1291-H1295 PolarHBondContact O-N 2.89Å; M1292-H1295 PolarHBondContact O-N 3.38Å; F1293-H1295 VanDerWaalsContact C-N 3.25Å; F1293-H1295 PolarHBondContact O-N 2.88Å; H1295-L1297 PolarHBondContact O-N 2.88Å; H1295-V1298 PolarHBondContact O-N 3.21Å; H1295-V1298 VanDerWaalsContact O-N 3.08Å; H1295-L1299 PolarHBondContact O-N 3.39Å |
| 1296 | E | 81.2 | Confident | 81.9 | Confident | 19 Ų | 19 | 30.2 Ų | 30.2 | 9% | 0.089 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62.5 | -31.9 | 173.3 | -76 | -74.7 | -167.4 | 0 | 0 | 111.9 | L1196 M1292 F1293 L1299 G1300 N1301 A1305 I1308 | L1196-E1296 HydrophobicContact CD1-CG 4.03Å; L1196-E1296 HydrophobicContact CD2-CG 3.85Å; M1292-E1296 PolarHBondContact O-N 2.71Å; F1293-E1296 PolarHBondContact O-N 3.25Å; E1296-L1299 PolarHBondContact O-N 2.8Å; E1296-G1300 PolarHBondContact O-N 3.11Å; E1296-N1301 PolarHBondContact O-N 3.29Å; E1296-N1301 VanDerWaalsContact OE2-CB 3.3Å; E1296-N1301 WeakPolarHBondContact OE2-CB 3.45Å; E1296-N1301 PolarHBondContact OE2-ND2 2.9Å; E1296-A1305 HydrophobicContact CB-CB 4.26Å; E1296-I1308 HydrophobicContact CB-CD1 4.13Å; E1296-I1308 HydrophobicContact CG-CD1 3.66Å |
| 1297 | L | 82.1 | Confident | 81.7 | Confident | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -65.1 | -43.5 | 172.2 | -172.1 | 65.5 | 0 | 0 | 0 | 112 | F1293 H1295 L1299 G1300 Y1302 A1305 Q1324 L1325 T1328 R1332 | F1293-L1297 HydrophobicContact CE1-CD2 3.8Å; F1293-L1297 HydrophobicContact CZ-CD1 4.41Å; F1293-L1297 HydrophobicContact CZ-CD2 3.78Å; F1293-L1297 WeakPolarHBondContact O-CB 3.45Å; F1293-L1297 PolarHBondContact O-N 3.29Å; H1295-L1297 PolarHBondContact O-N 2.88Å; L1297-L1299 VanDerWaalsContact C-N 3.3Å; L1297-L1299 PolarHBondContact O-N 3.21Å; L1297-G1300 PolarHBondContact O-N 3.5Å; L1297-G1300 VanDerWaalsContact O-N 3.11Å; L1297-Y1302 HydrophobicContact CD1-CD1 4.2Å; L1297-Y1302 HydrophobicContact CD1-CE1 4.45Å; L1297-A1305 HydrophobicContact CB-CB 4.5Å; L1297-A1305 HydrophobicContact CD1-CB 4.48Å; L1297-Q1324 HydrophobicContact CD2-CB 4.43Å; L1297-Q1324 HydrophobicContact CD2-CG 3.76Å; L1297-L1325 HydrophobicContact CD1-CD1 3.42Å; L1297-L1325 VanDerWaalsContact CD1-CD1 3.42Å; L1297-T1328 VanDerWaalsContact CD1-OG1 3.28Å; L1297-T1328 WeakPolarHBondContact CD1-OG1 3.22Å; L1297-T1328 HydrophobicContact CD2-CG2 3.79Å; L1297-T1328 VanDerWaalsContact CD2-OG1 3.28Å; L1297-T1328 WeakPolarHBondContact CD2-OG1 3.38Å; L1297-T1328 HydrophobicContact CG-CG2 4.28Å; L1297-T1328 WeakPolarHBondContact CG-OG1 3.18Å; L1297-R1332 PolarHBondContact O-NH1 3.42Å |
| 1298 | V | 80.5 | Confident | 81.6 | Confident | 76 Ų | 76 | 30.9 Ų | 30.9 | 46% | 0.461 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -62.6 | -38.4 | 175.6 | 170.1 | 0 | 0 | 0 | 0 | 110.9 | K1294 H1295 G1300 R1332 | K1294-V1298 VanDerWaalsContact O-CG2 3.3Å; K1294-V1298 WeakPolarHBondContact O-CG2 3.4Å; K1294-V1298 PolarHBondContact O-N 2.81Å; K1294-V1298 VanDerWaalsContact O-N 3.16Å; H1295-V1298 PolarHBondContact O-N 3.21Å; H1295-V1298 VanDerWaalsContact O-N 3.08Å; V1298-G1300 PolarHBondContact O-N 3.24Å; V1298-R1332 PolarHBondContact O-NH1 3.29Å; V1298-R1332 VanDerWaalsContact O-NH1 3.15Å; V1298-R1332 PolarHBondContact O-NH2 2.85Å |
| 1299 | L | 80.4 | Confident | 81.3 | Confident | 78 Ų | 78 | 31 Ų | 31 | 41% | 0.408 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -66.7 | -16.4 | 175.1 | -67.8 | 177.2 | 0 | 0 | 0 | 114.2 | V1192 L1196 H1295 E1296 L1297 N1301 | V1192-L1299 HydrophobicContact CB-CD2 4Å; V1192-L1299 HydrophobicContact CB-CG 4.37Å; V1192-L1299 HydrophobicContact CG1-CD1 3.8Å; V1192-L1299 HydrophobicContact CG1-CD2 3.89Å; V1192-L1299 HydrophobicContact CG1-CG 3.7Å; V1192-L1299 HydrophobicContact CG2-CD2 4.4Å; L1196-L1299 HydrophobicContact CD1-CD1 3.63Å; H1295-L1299 PolarHBondContact O-N 3.39Å; E1296-L1299 PolarHBondContact O-N 2.8Å; L1297-L1299 VanDerWaalsContact C-N 3.3Å; L1297-L1299 PolarHBondContact O-N 3.21Å; L1299-N1301 VanDerWaalsContact C-N 3.34Å |
| 1300 | G | 76.5 | Confident | 81 | Confident | 17 Ų | 17 | 34.6 Ų | 34.6 | 18% | 0.175 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82 | 11 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | E1296 L1297 V1298 Y1302 | E1296-G1300 PolarHBondContact O-N 3.11Å; L1297-G1300 PolarHBondContact O-N 3.5Å; L1297-G1300 VanDerWaalsContact O-N 3.11Å; V1298-G1300 PolarHBondContact O-N 3.24Å; G1300-Y1302 VanDerWaalsContact C-N 3.25Å; G1300-Y1302 WeakPolarHBondContact O-CD2 3.49Å; G1300-Y1302 VanDerWaalsContact O-CE2 3.23Å; G1300-Y1302 WeakPolarHBondContact O-CE2 3.32Å; G1300-Y1302 PolarHBondContact O-N 3.01Å |
| 1301 | N | 81.1 | Confident | 80.7 | Confident | 59 Ų | 59 | 33.8 Ų | 33.8 | 32% | 0.316 | 18% | 0.176 | S | C | . | . | trans | -82.9 | 68.5 | 176.6 | -67.1 | -24.6 | 0 | 0 | 0 | 110.5 | E1296 L1299 T1303 K1304 A1305 | E1296-N1301 PolarHBondContact O-N 3.29Å; E1296-N1301 VanDerWaalsContact OE2-CB 3.3Å; E1296-N1301 WeakPolarHBondContact OE2-CB 3.45Å; E1296-N1301 PolarHBondContact OE2-ND2 2.9Å; L1299-N1301 VanDerWaalsContact C-N 3.34Å; N1301-T1303 VanDerWaalsContact C-N 3.25Å; N1301-T1303 PolarHBondContact O-N 3.41Å; N1301-K1304 HydrophobicContact CB-CB 4.12Å; N1301-K1304 HydrophobicContact CB-CD 4.13Å; N1301-K1304 HydrophobicContact CB-CG 4.29Å; N1301-K1304 PolarHBondContact O-N 3.43Å; N1301-K1304 VanDerWaalsContact O-N 3.11Å; N1301-A1305 PolarHBondContact O-N 3.4Å | ||
| 1302 | Y | 79.3 | Confident | 80.4 | Confident | 4 Ų | 4 | 32.1 Ų | 32.1 | 2% | 0.016 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.3 | -31.5 | -170.7 | -49.8 | -66.4 | 0 | 0 | 0 | 113.9 | L1297 G1300 Y1306 V1329 R1332 E1334 K1337 | L1297-Y1302 HydrophobicContact CD1-CD1 4.2Å; L1297-Y1302 HydrophobicContact CD1-CE1 4.45Å; G1300-Y1302 VanDerWaalsContact C-N 3.25Å; G1300-Y1302 WeakPolarHBondContact O-CD2 3.49Å; G1300-Y1302 VanDerWaalsContact O-CE2 3.23Å; G1300-Y1302 WeakPolarHBondContact O-CE2 3.32Å; G1300-Y1302 PolarHBondContact O-N 3.01Å; Y1302-Y1306 WeakPolarHBondContact O-CB 3.34Å; Y1302-Y1306 PolarHBondContact O-N 3.27Å; Y1302-V1329 HydrophobicContact CD1-CG2 3.4Å; Y1302-V1329 HydrophobicContact CE1-CB 4.46Å; Y1302-V1329 HydrophobicContact CE1-CG2 3.5Å; Y1302-V1329 VanDerWaalsContact CE1-CG2 3.5Å; Y1302-V1329 HydrophobicContact CG-CG2 4.18Å; Y1302-R1332 WeakPolarHBondContact OH-CD 3.4Å; Y1302-E1334 HydrophobicContact CE2-CB 4.2Å; Y1302-E1334 VanDerWaalsContact CE2-OE2 3.26Å; Y1302-E1334 WeakPolarHBondContact CE2-OE2 3.49Å; Y1302-E1334 PolarHBondContact OH-OE1 3.41Å; Y1302-K1337 HydrophobicContact CD2-CD 3.42Å; Y1302-K1337 VanDerWaalsContact CD2-CD 3.42Å; Y1302-K1337 HydrophobicContact CE2-CD 3.97Å; Y1302-K1337 HydrophobicContact CG-CD 4.39Å |
| 1303 | T | 75.3 | Confident | 79.9 | Confident | 85 Ų | 85 | 34.5 Ų | 34.5 | 52% | 0.521 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -63 | -48.3 | 174.8 | 47.7 | 0 | 0 | 0 | 0 | 111.4 | N1301 Y1306 M1307 F1341 | N1301-T1303 VanDerWaalsContact C-N 3.25Å; N1301-T1303 PolarHBondContact O-N 3.41Å; T1303-Y1306 WeakPolarHBondContact O-CB 3.3Å; T1303-Y1306 PolarHBondContact O-N 3.5Å; T1303-M1307 WeakPolarHBondContact O-CG 3.28Å; T1303-M1307 PolarHBondContact O-N 3.02Å; T1303-F1341 HydrophobicContact CG2-CE1 4.01Å; T1303-F1341 HydrophobicContact CG2-CZ 4.34Å |
| 1304 | K | 77 | Confident | 79.4 | Confident | 35 Ų | 35 | 36.9 Ų | 36.9 | 15% | 0.152 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.4 | -46.6 | 176 | -65.8 | -174.7 | -178.4 | 177.5 | 0 | 111.5 | N1301 Y1306 M1307 I1308 | N1301-K1304 HydrophobicContact CB-CB 4.12Å; N1301-K1304 HydrophobicContact CB-CD 4.13Å; N1301-K1304 HydrophobicContact CB-CG 4.29Å; N1301-K1304 PolarHBondContact O-N 3.43Å; N1301-K1304 VanDerWaalsContact O-N 3.11Å; K1304-Y1306 PolarHBondContact O-N 3.29Å; K1304-M1307 PolarHBondContact O-N 3.42Å; K1304-M1307 VanDerWaalsContact O-N 3.14Å; K1304-I1308 VanDerWaalsContact O-CG1 3.29Å; K1304-I1308 WeakPolarHBondContact O-CG1 3.35Å; K1304-I1308 PolarHBondContact O-N 2.92Å |
| 1305 | A | 82.5 | Confident | 78.9 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -57.3 | -41.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | F1293 E1296 L1297 N1301 I1308 L1309 L1325 | F1293-A1305 HydrophobicContact CD2-CB 4.11Å; F1293-A1305 VanDerWaalsContact CD2-O 3.31Å; F1293-A1305 WeakPolarHBondContact CD2-O 3.49Å; F1293-A1305 HydrophobicContact CE2-CB 4.02Å; E1296-A1305 HydrophobicContact CB-CB 4.26Å; L1297-A1305 HydrophobicContact CB-CB 4.5Å; L1297-A1305 HydrophobicContact CD1-CB 4.48Å; N1301-A1305 PolarHBondContact O-N 3.4Å; A1305-I1308 PolarHBondContact O-N 3.05Å; A1305-L1309 VanDerWaalsContact O-CB 3.3Å; A1305-L1309 WeakPolarHBondContact O-CB 3.49Å; A1305-L1309 PolarHBondContact O-N 3.41Å; A1305-L1325 HydrophobicContact CB-CD1 4.47Å |
| 1306 | Y | 79.6 | Confident | 78.5 | Confident | 19 Ų | 19 | 39.8 Ų | 39.8 | 8% | 0.075 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.8 | -42.8 | 176.1 | -177.2 | -105.6 | 0 | 0 | 0 | 113 | Y1302 T1303 K1304 L1309 Q1310 L1325 F1341 Q1342 Y1343 | Y1302-Y1306 WeakPolarHBondContact O-CB 3.34Å; Y1302-Y1306 PolarHBondContact O-N 3.27Å; T1303-Y1306 WeakPolarHBondContact O-CB 3.3Å; T1303-Y1306 PolarHBondContact O-N 3.5Å; K1304-Y1306 PolarHBondContact O-N 3.29Å; Y1306-L1309 WeakPolarHBondContact O-CB 3.49Å; Y1306-L1309 PolarHBondContact O-N 3.27Å; Y1306-Q1310 HydrophobicContact CE1-CG 4.26Å; Y1306-Q1310 VanDerWaalsContact CE1-NE2 3.35Å; Y1306-Q1310 VanDerWaalsContact CZ-NE2 3.28Å; Y1306-Q1310 PolarHBondContact O-N 2.84Å; Y1306-Q1310 PolarHBondContact OH-NE2 3.08Å; Y1306-L1325 HydrophobicContact CD2-CD2 4.22Å; Y1306-F1341 HydrophobicContact CD1-CB 4.47Å; Y1306-F1341 AromaticContact CD1-CD1 4Å; Y1306-F1341 HydrophobicContact CD1-CD1 4Å; Y1306-F1341 HydrophobicContact CD1-CG 4.25Å; Y1306-F1341 HydrophobicContact CD2-CB 4.29Å; Y1306-F1341 HydrophobicContact CD2-CD2 4.26Å; Y1306-F1341 HydrophobicContact CD2-CG 4.18Å; Y1306-F1341 HydrophobicContact CE1-CB 4.29Å; Y1306-F1341 HydrophobicContact CE1-CD1 4.48Å; Y1306-F1341 HydrophobicContact CE2-CB 4.12Å; Y1306-F1341 HydrophobicContact CG-CB 4.47Å; Y1306-F1341 HydrophobicContact CG-CD1 4.1Å; Y1306-F1341 HydrophobicContact CG-CD2 4.31Å; Y1306-F1341 HydrophobicContact CG-CE1 4.43Å; Y1306-F1341 HydrophobicContact CG-CG 4.06Å; Y1306-Q1342 PolarHBondContact OH-O 2.68Å; Y1306-Y1343 HydrophobicContact CD2-CE1 4.29Å; Y1306-Y1343 AromaticContact CE2-CD1 3.66Å; Y1306-Y1343 HydrophobicContact CE2-CD1 3.66Å; Y1306-Y1343 AromaticContact CE2-CE1 3.71Å; Y1306-Y1343 HydrophobicContact CE2-CE1 3.71Å; Y1306-Y1343 WeakPolarHBondContact OH-CA 3.42Å; Y1306-Y1343 PolarHBondContact OH-N 2.94Å |
| 1307 | M | 76.8 | Confident | 78.4 | Confident | 57 Ų | 57 | 42 Ų | 42 | 28% | 0.281 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -63.5 | -41.9 | 175.1 | -70.5 | -178.9 | 70.6 | 0 | 0 | 112.3 | L1238 I1241 T1303 K1304 L1309 Q1310 S1311 | L1238-M1307 HydrophobicContact CD2-CB 4.34Å; I1241-M1307 HydrophobicContact CD1-CE 3.63Å; I1241-M1307 HydrophobicContact CD1-SD 3.46Å; I1241-M1307 WeakPolarHBondContact CD1-SD 3.3Å; T1303-M1307 WeakPolarHBondContact O-CG 3.28Å; T1303-M1307 PolarHBondContact O-N 3.02Å; K1304-M1307 PolarHBondContact O-N 3.42Å; K1304-M1307 VanDerWaalsContact O-N 3.14Å; M1307-L1309 VanDerWaalsContact C-N 3.33Å; M1307-Q1310 PolarHBondContact O-N 2.84Å; M1307-S1311 PolarHBondContact O-N 3.18Å; M1307-S1311 PolarHBondContact O-OG 3.1Å |
| 1308 | I | 81 | Confident | 78.4 | Confident | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.5 | -43 | 175.7 | -68.8 | 164.7 | 0 | 0 | 0 | 110.6 | L1238 W1289 M1292 F1293 E1296 K1304 A1305 Q1310 S1311 N1312 | L1238-I1308 HydrophobicContact CD1-CG1 4.28Å; L1238-I1308 HydrophobicContact CD2-CG1 4.43Å; W1289-I1308 HydrophobicContact CE3-CG2 3.81Å; W1289-I1308 HydrophobicContact CZ3-CG1 4.43Å; W1289-I1308 HydrophobicContact CZ3-CG2 4.36Å; W1289-I1308 WeakPolarHBondContact O-CG2 3.33Å; M1292-I1308 HydrophobicContact CB-CD1 4.29Å; M1292-I1308 HydrophobicContact CB-CG2 4.29Å; F1293-I1308 HydrophobicContact CB-CG2 3.84Å; E1296-I1308 HydrophobicContact CB-CD1 4.13Å; E1296-I1308 HydrophobicContact CG-CD1 3.66Å; K1304-I1308 VanDerWaalsContact O-CG1 3.29Å; K1304-I1308 WeakPolarHBondContact O-CG1 3.35Å; K1304-I1308 PolarHBondContact O-N 2.92Å; A1305-I1308 PolarHBondContact O-N 3.05Å; I1308-Q1310 VanDerWaalsContact C-N 3.32Å; I1308-Q1310 PolarHBondContact O-N 3.38Å; I1308-S1311 WeakPolarHBondContact O-CB 3.33Å; I1308-S1311 PolarHBondContact O-N 3.25Å; I1308-N1312 PolarHBondContact O-N 3.44Å |
| 1309 | L | 81.2 | Confident | 78.2 | Confident | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.01 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -58.8 | -41.9 | 175.6 | 173.2 | 157.7 | 0 | 0 | 0 | 111.8 | F1293 A1305 Y1306 M1307 S1311 R1318 C1321 L1322 L1325 M1346 | F1293-L1309 HydrophobicContact CD2-CB 3.98Å; F1293-L1309 HydrophobicContact CE2-CB 4.14Å; F1293-L1309 HydrophobicContact CE2-CD1 4.01Å; A1305-L1309 VanDerWaalsContact O-CB 3.3Å; A1305-L1309 WeakPolarHBondContact O-CB 3.49Å; A1305-L1309 PolarHBondContact O-N 3.41Å; Y1306-L1309 WeakPolarHBondContact O-CB 3.49Å; Y1306-L1309 PolarHBondContact O-N 3.27Å; M1307-L1309 VanDerWaalsContact C-N 3.33Å; L1309-S1311 PolarHBondContact O-N 3.48Å; L1309-R1318 WeakPolarHBondContact O-CD 3.21Å; L1309-R1318 VanDerWaalsContact O-CG 3.25Å; L1309-R1318 WeakPolarHBondContact O-CG 3.33Å; L1309-C1321 HydrophobicContact CD1-CB 4.06Å; L1309-C1321 HydrophobicContact CG-CB 4.34Å; L1309-L1322 HydrophobicContact CD1-CB 3.93Å; L1309-L1322 HydrophobicContact CD1-CD1 4.08Å; L1309-L1325 HydrophobicContact CD1-CD2 4.26Å; L1309-M1346 HydrophobicContact CD2-CE 3.53Å; L1309-M1346 HydrophobicContact CD2-SD 3.91Å; L1309-M1346 HydrophobicContact CG-CE 4.36Å |
| 1310 | Q | 77.9 | Confident | 78.1 | Confident | 81 Ų | 81 | 45.6 Ų | 45.6 | 38% | 0.379 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -68.5 | -21.2 | 175.9 | -70.8 | -168.3 | -19.9 | 0 | 0 | 113.8 | R1230 Y1306 M1307 I1308 | R1230-Q1310 PolarHBondContact NH2-O 3.03Å; Y1306-Q1310 HydrophobicContact CE1-CG 4.26Å; Y1306-Q1310 VanDerWaalsContact CE1-NE2 3.35Å; Y1306-Q1310 VanDerWaalsContact CZ-NE2 3.28Å; Y1306-Q1310 PolarHBondContact O-N 2.84Å; Y1306-Q1310 PolarHBondContact OH-NE2 3.08Å; M1307-Q1310 PolarHBondContact O-N 2.84Å; I1308-Q1310 VanDerWaalsContact C-N 3.32Å; I1308-Q1310 PolarHBondContact O-N 3.38Å |
| 1311 | S | 78.2 | Confident | 78.5 | Confident | 17 Ų | 17 | 44.9 Ų | 44.9 | 12% | 0.119 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -88.1 | -22.8 | -174.5 | -58.1 | 0 | 0 | 0 | 0 | 112.8 | V1234 M1307 I1308 L1309 | V1234-S1311 WeakPolarHBondContact CG1-OG 3.39Å; M1307-S1311 PolarHBondContact O-N 3.18Å; M1307-S1311 PolarHBondContact O-OG 3.1Å; I1308-S1311 WeakPolarHBondContact O-CB 3.33Å; I1308-S1311 PolarHBondContact O-N 3.25Å; L1309-S1311 PolarHBondContact O-N 3.48Å |
| 1312 | N | 77.6 | Confident | 78.6 | Confident | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.011 | 21% | 0.214 | C | C | . | . | trans | -61.8 | 121.6 | 179.4 | -171.2 | -17.5 | 0 | 0 | 0 | 111.2 | W1289 T1290 I1308 D1314 R1318 | W1289-N1312 HydrophobicContact CB-CB 3.96Å; W1289-N1312 HydrophobicContact CG-CB 4.47Å; T1290-N1312 PolarHBondContact OG1-ND2 3.41Å; T1290-N1312 VanDerWaalsContact OG1-ND2 3.15Å; I1308-N1312 PolarHBondContact O-N 3.44Å; N1312-D1314 VanDerWaalsContact C-N 3.32Å; N1312-D1314 PolarHBondContact O-N 3.3Å; N1312-D1314 PolarHBondContact OD1-N 2.72Å; N1312-R1318 HydrophobicContact CB-CG 3.79Å; N1312-R1318 WeakPolarHBondContact O-CD 3.49Å; N1312-R1318 WeakPolarHBondContact O-CG 3.24Å; N1312-R1318 PolarHBondContact O-NE 2.77Å | ||
| 1313 | P | 74.4 | Confident | 78.8 | Confident | 59 Ų | 59 | 46.8 Ų | 46.8 | 38% | 0.383 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -66 | -34.2 | -176.6 | 24.2 | -32.7 | 0 | 0 | 0 | 112.5 | A1286 I1315 R1318 | A1286-P1313 HydrophobicContact CB-CG 4.35Å; P1313-I1315 PolarHBondContact O-N 3.42Å; P1313-R1318 PolarHBondContact O-NH2 3.44Å; P1313-R1318 VanDerWaalsContact O-NH2 3.11Å |
| 1314 | D | 75.8 | Confident | 79.2 | Confident | 51 Ų | 51 | 46 Ų | 46 | 27% | 0.273 | 22% | 0.222 | S | C | . | . | trans | -76.1 | 122.3 | -175.9 | -178 | -5.4 | 0 | 0 | 0 | 111.6 | A1286 N1312 A1316 R1317 R1318 | A1286-D1314 HydrophobicContact CB-CB 3.82Å; N1312-D1314 VanDerWaalsContact C-N 3.32Å; N1312-D1314 PolarHBondContact O-N 3.3Å; N1312-D1314 PolarHBondContact OD1-N 2.72Å; D1314-A1316 WeakPolarHBondContact OD1-CB 3.06Å; D1314-A1316 PolarHBondContact OD1-N 3.23Å; D1314-R1317 HydrophobicContact CB-CB 4.11Å; D1314-R1317 HydrophobicContact CB-CG 4.3Å; D1314-R1317 WeakPolarHBondContact OD2-CD 3.4Å; D1314-R1317 WeakPolarHBondContact OD2-CG 3.42Å; D1314-R1317 IonicContact OD2-NE 3.57Å; D1314-R1317 PolarHBondContact OD2-NE 3.46Å; D1314-R1317 VanDerWaalsContact OD2-NE 3.11Å; D1314-R1318 WeakPolarHBondContact O-CB 3.1Å; D1314-R1318 VanDerWaalsContact O-CG 3.27Å; D1314-R1318 WeakPolarHBondContact O-CG 3.47Å; D1314-R1318 PolarHBondContact O-N 3.2Å; D1314-R1318 PolarHBondContact O-NE 3.24Å | ||
| 1315 | I | 74.4 | Confident | 79.5 | Confident | 127 Ų | 127 | 44.3 Ų | 44.3 | 65% | 0.651 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -67.2 | -38.9 | 179.8 | -60.3 | 163 | 0 | 0 | 0 | 111 | P1313 R1318 R1319 | P1313-I1315 PolarHBondContact O-N 3.42Å; I1315-R1318 PolarHBondContact O-N 3.16Å; I1315-R1319 PolarHBondContact O-N 2.84Å; I1315-R1319 VanDerWaalsContact O-N 3.09Å |
| 1316 | A | 75.2 | Confident | 79.5 | Confident | 45 Ų | 45 | 44.3 Ų | 44.3 | 37% | 0.372 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -66.7 | -48.3 | -178 | 0 | 0 | 0 | 0 | 0 | 110.5 | D1314 R1318 R1319 D1320 | D1314-A1316 WeakPolarHBondContact OD1-CB 3.06Å; D1314-A1316 PolarHBondContact OD1-N 3.23Å; A1316-R1318 VanDerWaalsContact C-N 3.34Å; A1316-R1318 PolarHBondContact O-N 3.3Å; A1316-R1319 WeakPolarHBondContact O-CB 3.43Å; A1316-R1319 PolarHBondContact O-N 3.38Å; A1316-D1320 PolarHBondContact O-N 3.15Å |
| 1317 | R | 80 | Confident | 79.5 | Confident | 65 Ų | 65 | 44.7 Ų | 44.7 | 25% | 0.245 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -65.5 | -34.2 | 175.8 | -69.6 | 171.2 | -166.6 | -130.8 | 13.5 | 112.8 | T1287 D1314 R1319 D1320 C1321 | T1287-R1317 VanDerWaalsContact CB-NH1 3.3Å; T1287-R1317 PolarHBondContact OG1-NH1 3.07Å; T1287-R1317 PolarHBondContact OG1-NH2 2.97Å; D1314-R1317 HydrophobicContact CB-CB 4.11Å; D1314-R1317 HydrophobicContact CB-CG 4.3Å; D1314-R1317 WeakPolarHBondContact OD2-CD 3.4Å; D1314-R1317 WeakPolarHBondContact OD2-CG 3.42Å; D1314-R1317 IonicContact OD2-NE 3.57Å; D1314-R1317 PolarHBondContact OD2-NE 3.46Å; D1314-R1317 VanDerWaalsContact OD2-NE 3.11Å; R1317-R1319 VanDerWaalsContact C-N 3.32Å; R1317-R1319 PolarHBondContact O-N 3.4Å; R1317-D1320 PolarHBondContact O-N 3.4Å; R1317-C1321 WeakPolarHBondContact O-CB 3.37Å; R1317-C1321 PolarHBondContact O-N 3.04Å; R1317-C1321 PolarHBondContact O-SG 3.27Å |
| 1318 | R | 81.2 | Confident | 79.6 | Confident | 58 Ų | 58 | 43.5 Ų | 43.5 | 22% | 0.219 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59.2 | -42.6 | 171.6 | -84.3 | -172.6 | -77.9 | 167.4 | -12 | 112.6 | L1309 N1312 P1313 D1314 I1315 A1316 L1322 M1346 | L1309-R1318 WeakPolarHBondContact O-CD 3.21Å; L1309-R1318 VanDerWaalsContact O-CG 3.25Å; L1309-R1318 WeakPolarHBondContact O-CG 3.33Å; N1312-R1318 HydrophobicContact CB-CG 3.79Å; N1312-R1318 WeakPolarHBondContact O-CD 3.49Å; N1312-R1318 WeakPolarHBondContact O-CG 3.24Å; N1312-R1318 PolarHBondContact O-NE 2.77Å; P1313-R1318 PolarHBondContact O-NH2 3.44Å; P1313-R1318 VanDerWaalsContact O-NH2 3.11Å; D1314-R1318 WeakPolarHBondContact O-CB 3.1Å; D1314-R1318 VanDerWaalsContact O-CG 3.27Å; D1314-R1318 WeakPolarHBondContact O-CG 3.47Å; D1314-R1318 PolarHBondContact O-N 3.2Å; D1314-R1318 PolarHBondContact O-NE 3.24Å; I1315-R1318 PolarHBondContact O-N 3.16Å; A1316-R1318 VanDerWaalsContact C-N 3.34Å; A1316-R1318 PolarHBondContact O-N 3.3Å; R1318-L1322 VanDerWaalsContact O-CB 3.29Å; R1318-L1322 WeakPolarHBondContact O-CB 3.28Å; R1318-L1322 PolarHBondContact O-N 2.65Å; R1318-M1346 HydrophobicContact CB-CE 4.23Å; R1318-M1346 HydrophobicContact CB-SD 4.35Å |
| 1319 | R | 76.7 | Confident | 79.6 | Confident | 103 Ų | 103 | 43.4 Ų | 43.4 | 39% | 0.389 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -65.5 | -40.8 | 176.3 | -171.9 | -177.1 | 61.6 | -164.2 | -2.4 | 111.8 | I1315 A1316 R1317 L1322 R1323 E1349 I1353 | I1315-R1319 PolarHBondContact O-N 2.84Å; I1315-R1319 VanDerWaalsContact O-N 3.09Å; A1316-R1319 WeakPolarHBondContact O-CB 3.43Å; A1316-R1319 PolarHBondContact O-N 3.38Å; R1317-R1319 VanDerWaalsContact C-N 3.32Å; R1317-R1319 PolarHBondContact O-N 3.4Å; R1319-L1322 PolarHBondContact O-N 3.02Å; R1319-R1323 PolarHBondContact O-N 2.94Å; R1319-E1349 WeakPolarHBondContact CD-OE2 3.26Å; R1319-E1349 WeakPolarHBondContact CG-OE2 3.44Å; R1319-I1353 HydrophobicContact CG-CD1 3.93Å |
| 1320 | D | 78.8 | Confident | 79.3 | Confident | 71 Ų | 71 | 43.6 Ų | 43.6 | 38% | 0.38 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -69.5 | -40.5 | 177.6 | -67 | -24.3 | 0 | 0 | 0 | 112.1 | A1316 R1317 L1322 R1323 Q1324 | A1316-D1320 PolarHBondContact O-N 3.15Å; R1317-D1320 PolarHBondContact O-N 3.4Å; D1320-L1322 VanDerWaalsContact C-N 3.35Å; D1320-R1323 WeakPolarHBondContact O-CB 3.44Å; D1320-R1323 PolarHBondContact O-N 3.01Å; D1320-R1323 IonicContact OD1-CZ 3.33Å; D1320-R1323 IonicContact OD1-NH1 3.86Å; D1320-R1323 PolarHBondContact OD1-NH1 2.87Å; D1320-R1323 IonicContact OD1-NH2 3.08Å; D1320-Q1324 PolarHBondContact O-N 3.2Å |
| 1321 | C | 83.9 | Confident | 79 | Confident | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.007 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.3 | -43.3 | 171.2 | -66.5 | 0 | 0 | 0 | 0 | 111 | F1293 L1309 R1317 R1323 Q1324 L1325 | F1293-C1321 HydrophobicContact CD1-CB 3.57Å; F1293-C1321 VanDerWaalsContact CD1-SG 3.56Å; F1293-C1321 HydrophobicContact CD2-CB 4.2Å; F1293-C1321 HydrophobicContact CE1-CB 3.6Å; F1293-C1321 VanDerWaalsContact CE1-O 3.27Å; F1293-C1321 WeakPolarHBondContact CE1-O 3.47Å; F1293-C1321 HydrophobicContact CE2-CB 4.22Å; F1293-C1321 HydrophobicContact CG-CB 3.91Å; F1293-C1321 HydrophobicContact CZ-CB 3.95Å; F1293-C1321 WeakPolarHBondContact CZ-O 3.37Å; L1309-C1321 HydrophobicContact CD1-CB 4.06Å; L1309-C1321 HydrophobicContact CG-CB 4.34Å; R1317-C1321 WeakPolarHBondContact O-CB 3.37Å; R1317-C1321 PolarHBondContact O-N 3.04Å; R1317-C1321 PolarHBondContact O-SG 3.27Å; C1321-R1323 VanDerWaalsContact C-N 3.34Å; C1321-R1323 PolarHBondContact O-N 2.65Å; C1321-Q1324 CarbonylContact O-C 3.45Å; C1321-Q1324 PolarHBondContact O-N 2.84Å; C1321-L1325 PolarHBondContact O-N 3.23Å |
| 1322 | L | 84.2 | Confident | 78.8 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.6 | -44.3 | 176.6 | -175.9 | 65.3 | 0 | 0 | 0 | 111.4 | L1309 R1318 R1319 D1320 Q1324 L1325 I1326 Y1343 M1346 E1349 F1350 I1353 | L1309-L1322 HydrophobicContact CD1-CB 3.93Å; L1309-L1322 HydrophobicContact CD1-CD1 4.08Å; R1318-L1322 VanDerWaalsContact O-CB 3.29Å; R1318-L1322 WeakPolarHBondContact O-CB 3.28Å; R1318-L1322 PolarHBondContact O-N 2.65Å; R1319-L1322 PolarHBondContact O-N 3.02Å; D1320-L1322 VanDerWaalsContact C-N 3.35Å; L1322-Q1324 VanDerWaalsContact C-N 3.3Å; L1322-Q1324 PolarHBondContact O-N 2.85Å; L1322-L1325 WeakPolarHBondContact O-CB 3.42Å; L1322-L1325 PolarHBondContact O-N 2.92Å; L1322-I1326 HydrophobicContact CD1-CD1 4.42Å; L1322-I1326 HydrophobicContact CG-CD1 4Å; L1322-I1326 WeakPolarHBondContact O-CD1 3.48Å; L1322-I1326 VanDerWaalsContact O-CG1 3.26Å; L1322-I1326 WeakPolarHBondContact O-CG1 3.33Å; L1322-I1326 PolarHBondContact O-N 3.46Å; L1322-Y1343 HydrophobicContact CD1-CD1 4.13Å; L1322-Y1343 HydrophobicContact CD1-CE1 3.97Å; L1322-M1346 HydrophobicContact CB-CE 3.92Å; L1322-M1346 HydrophobicContact CD1-CE 4.31Å; L1322-M1346 HydrophobicContact CD2-CE 3.69Å; L1322-M1346 HydrophobicContact CG-CE 4.19Å; L1322-E1349 HydrophobicContact CD2-CB 4.25Å; L1322-F1350 HydrophobicContact CD1-CD2 4.23Å; L1322-F1350 HydrophobicContact CD2-CB 4.04Å; L1322-I1353 HydrophobicContact CB-CD1 4.39Å; L1322-I1353 HydrophobicContact CD2-CD1 3.97Å; L1322-I1353 HydrophobicContact CG-CD1 4.24Å |
| 1323 | R | 82.9 | Confident | 78.4 | Confident | 103 Ų | 103 | 52.1 Ų | 52.1 | 39% | 0.389 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -58.2 | -45.1 | 174.6 | -172 | -175.3 | -60.4 | 119.8 | 3.6 | 111.3 | R1319 D1320 C1321 I1326 V1327 I1353 | R1319-R1323 PolarHBondContact O-N 2.94Å; D1320-R1323 WeakPolarHBondContact O-CB 3.44Å; D1320-R1323 PolarHBondContact O-N 3.01Å; D1320-R1323 IonicContact OD1-CZ 3.33Å; D1320-R1323 IonicContact OD1-NH1 3.86Å; D1320-R1323 PolarHBondContact OD1-NH1 2.87Å; D1320-R1323 IonicContact OD1-NH2 3.08Å; C1321-R1323 VanDerWaalsContact C-N 3.34Å; C1321-R1323 PolarHBondContact O-N 2.65Å; R1323-I1326 PolarHBondContact O-N 3.25Å; R1323-V1327 WeakPolarHBondContact O-CG2 3.16Å; R1323-V1327 PolarHBondContact O-N 2.83Å; R1323-I1353 HydrophobicContact CB-CD1 4.32Å; R1323-I1353 HydrophobicContact CB-CG2 4.07Å; R1323-I1353 HydrophobicContact CG-CG2 3.88Å |
| 1324 | Q | 84.2 | Confident | 78.3 | Confident | 68 Ų | 68 | 52.5 Ų | 52.5 | 32% | 0.318 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -67.6 | -38 | 178.7 | -168.2 | -179.7 | 2 | 0 | 0 | 112.3 | F1293 L1297 D1320 C1321 L1322 T1328 | F1293-Q1324 HydrophobicContact CE1-CB 4.08Å; F1293-Q1324 HydrophobicContact CE1-CG 4.42Å; L1297-Q1324 HydrophobicContact CD2-CB 4.43Å; L1297-Q1324 HydrophobicContact CD2-CG 3.76Å; D1320-Q1324 PolarHBondContact O-N 3.2Å; C1321-Q1324 CarbonylContact O-C 3.45Å; C1321-Q1324 PolarHBondContact O-N 2.84Å; L1322-Q1324 VanDerWaalsContact C-N 3.3Å; L1322-Q1324 PolarHBondContact O-N 2.85Å; Q1324-T1328 HydrophobicContact CG-CG2 4.28Å; Q1324-T1328 WeakPolarHBondContact O-CB 3.46Å; Q1324-T1328 VanDerWaalsContact O-CG2 3.27Å; Q1324-T1328 WeakPolarHBondContact O-CG2 3.11Å; Q1324-T1328 PolarHBondContact O-N 3.19Å; Q1324-T1328 PolarHBondContact O-OG1 2.82Å |
| 1325 | L | 84 | Confident | 78.1 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -57.6 | -51.3 | 173.3 | -176 | 65.4 | 0 | 0 | 0 | 110.4 | F1293 L1297 A1305 Y1306 L1309 C1321 L1322 T1328 V1329 L1338 | F1293-L1325 HydrophobicContact CE2-CB 4.18Å; F1293-L1325 HydrophobicContact CE2-CD1 4.34Å; F1293-L1325 HydrophobicContact CZ-CB 3.77Å; F1293-L1325 HydrophobicContact CZ-CD1 4.47Å; L1297-L1325 HydrophobicContact CD1-CD1 3.42Å; L1297-L1325 VanDerWaalsContact CD1-CD1 3.42Å; A1305-L1325 HydrophobicContact CB-CD1 4.47Å; Y1306-L1325 HydrophobicContact CD2-CD2 4.22Å; L1309-L1325 HydrophobicContact CD1-CD2 4.26Å; C1321-L1325 PolarHBondContact O-N 3.23Å; L1322-L1325 WeakPolarHBondContact O-CB 3.42Å; L1322-L1325 PolarHBondContact O-N 2.92Å; L1325-T1328 PolarHBondContact O-OG1 2.77Å; L1325-V1329 HydrophobicContact CD1-CG2 3.9Å; L1325-V1329 HydrophobicContact CG-CG2 4.31Å; L1325-V1329 WeakPolarHBondContact O-CB 2.99Å; L1325-V1329 WeakPolarHBondContact O-CG2 3.3Å; L1325-V1329 PolarHBondContact O-N 2.72Å; L1325-L1338 HydrophobicContact CD2-CD2 4.42Å; L1325-L1338 HydrophobicContact CG-CD2 4.18Å |
| 1326 | I | 81.4 | Confident | 77.9 | Confident | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59 | -52.2 | -178.8 | -68.5 | 161.3 | 0 | 0 | 0 | 110.5 | L1322 R1323 C1330 F1350 I1353 L1354 Y1385 | L1322-I1326 HydrophobicContact CD1-CD1 4.42Å; L1322-I1326 HydrophobicContact CG-CD1 4Å; L1322-I1326 WeakPolarHBondContact O-CD1 3.48Å; L1322-I1326 VanDerWaalsContact O-CG1 3.26Å; L1322-I1326 WeakPolarHBondContact O-CG1 3.33Å; L1322-I1326 PolarHBondContact O-N 3.46Å; R1323-I1326 PolarHBondContact O-N 3.25Å; I1326-C1330 VanDerWaalsContact O-CB 3.26Å; I1326-C1330 WeakPolarHBondContact O-CB 2.86Å; I1326-C1330 PolarHBondContact O-N 2.82Å; I1326-C1330 PolarHBondContact O-SG 3.35Å; I1326-F1350 HydrophobicContact CD1-CD2 3.67Å; I1326-F1350 HydrophobicContact CD1-CE2 4.07Å; I1326-F1350 HydrophobicContact CG1-CD2 3.89Å; I1326-F1350 HydrophobicContact CG1-CE2 3.82Å; I1326-I1353 HydrophobicContact CD1-CB 4.02Å; I1326-I1353 HydrophobicContact CD1-CG2 3.68Å; I1326-L1354 HydrophobicContact CD1-CG 4.29Å; I1326-L1354 HydrophobicContact CG2-CD2 3.39Å; I1326-L1354 HydrophobicContact CG2-CG 3.92Å; I1326-Y1385 HydrophobicContact CG2-CD1 4.31Å; I1326-Y1385 HydrophobicContact CG2-CE1 4.16Å |
| 1327 | V | 79.9 | Confident | 77.8 | Confident | 26 Ų | 26 | 51.2 Ų | 51.2 | 16% | 0.158 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60 | -52.4 | -177.5 | 171.7 | 0 | 0 | 0 | 0 | 110.7 | R1323 V1329 C1330 D1331 | R1323-V1327 WeakPolarHBondContact O-CG2 3.16Å; R1323-V1327 PolarHBondContact O-N 2.83Å; V1327-V1329 PolarHBondContact O-N 3.33Å; V1327-C1330 PolarHBondContact O-N 3.39Å; V1327-D1331 VanDerWaalsContact CG1-OD2 3.31Å; V1327-D1331 WeakPolarHBondContact CG1-OD2 3.39Å; V1327-D1331 WeakPolarHBondContact O-CB 3.49Å; V1327-D1331 PolarHBondContact O-N 2.68Å |
| 1328 | T | 79.7 | Confident | 77.6 | Confident | 32 Ų | 32 | 48.1 Ų | 48.1 | 20% | 0.196 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -66.5 | -37.6 | -175.9 | 54.6 | 0 | 0 | 0 | 0 | 113.7 | L1297 Q1324 L1325 R1332 | L1297-T1328 VanDerWaalsContact CD1-OG1 3.28Å; L1297-T1328 WeakPolarHBondContact CD1-OG1 3.22Å; L1297-T1328 HydrophobicContact CD2-CG2 3.79Å; L1297-T1328 VanDerWaalsContact CD2-OG1 3.28Å; L1297-T1328 WeakPolarHBondContact CD2-OG1 3.38Å; L1297-T1328 HydrophobicContact CG-CG2 4.28Å; L1297-T1328 WeakPolarHBondContact CG-OG1 3.18Å; Q1324-T1328 HydrophobicContact CG-CG2 4.28Å; Q1324-T1328 WeakPolarHBondContact O-CB 3.46Å; Q1324-T1328 VanDerWaalsContact O-CG2 3.27Å; Q1324-T1328 WeakPolarHBondContact O-CG2 3.11Å; Q1324-T1328 PolarHBondContact O-N 3.19Å; Q1324-T1328 PolarHBondContact O-OG1 2.82Å; L1325-T1328 PolarHBondContact O-OG1 2.77Å; T1328-R1332 WeakPolarHBondContact O-CB 3.16Å; T1328-R1332 VanDerWaalsContact O-CG 3.25Å; T1328-R1332 WeakPolarHBondContact O-CG 3.38Å; T1328-R1332 PolarHBondContact O-N 2.95Å; T1328-R1332 VanDerWaalsContact O-N 3.08Å |
| 1329 | V | 79.5 | Confident | 77.2 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -71.3 | -38.4 | 178.3 | 179.2 | 0 | 0 | 0 | 0 | 111.1 | Y1302 L1325 V1327 G1333 E1334 L1338 | Y1302-V1329 HydrophobicContact CD1-CG2 3.4Å; Y1302-V1329 HydrophobicContact CE1-CB 4.46Å; Y1302-V1329 HydrophobicContact CE1-CG2 3.5Å; Y1302-V1329 VanDerWaalsContact CE1-CG2 3.5Å; Y1302-V1329 HydrophobicContact CG-CG2 4.18Å; L1325-V1329 HydrophobicContact CD1-CG2 3.9Å; L1325-V1329 HydrophobicContact CG-CG2 4.31Å; L1325-V1329 WeakPolarHBondContact O-CB 2.99Å; L1325-V1329 WeakPolarHBondContact O-CG2 3.3Å; L1325-V1329 PolarHBondContact O-N 2.72Å; V1327-V1329 PolarHBondContact O-N 3.33Å; V1329-G1333 PolarHBondContact O-N 3.47Å; V1329-E1334 HydrophobicContact CG1-CB 4.35Å; V1329-E1334 VanDerWaalsContact CG1-O 3.31Å; V1329-E1334 WeakPolarHBondContact CG1-O 3.15Å; V1329-E1334 PolarHBondContact O-N 2.7Å; V1329-L1338 HydrophobicContact CB-CD1 3.98Å; V1329-L1338 HydrophobicContact CB-CD2 4.06Å; V1329-L1338 HydrophobicContact CB-CG 3.97Å; V1329-L1338 HydrophobicContact CG1-CD1 3.91Å; V1329-L1338 HydrophobicContact CG1-CD2 4.13Å; V1329-L1338 HydrophobicContact CG1-CG 3.62Å; V1329-L1338 HydrophobicContact CG2-CD2 4.1Å; V1329-L1338 HydrophobicContact CG2-CG 4.48Å |
| 1330 | C | 74.5 | Confident | 77.2 | Confident | 5 Ų | 5 | 45.6 Ų | 45.6 | 3% | 0.034 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65.2 | -44.3 | 173.6 | -71.7 | 0 | 0 | 0 | 0 | 111.7 | I1326 V1327 R1332 G1333 P1384 Y1385 | I1326-C1330 VanDerWaalsContact O-CB 3.26Å; I1326-C1330 WeakPolarHBondContact O-CB 2.86Å; I1326-C1330 PolarHBondContact O-N 2.82Å; I1326-C1330 PolarHBondContact O-SG 3.35Å; V1327-C1330 PolarHBondContact O-N 3.39Å; C1330-R1332 VanDerWaalsContact C-N 3.27Å; C1330-R1332 PolarHBondContact O-N 3.47Å; C1330-G1333 PolarHBondContact O-N 2.87Å; C1330-G1333 VanDerWaalsContact O-N 3.09Å; C1330-P1384 HydrophobicContact CB-CB 4.36Å; C1330-P1384 HydrophobicContact CB-CG 4.15Å; C1330-Y1385 HydrophobicContact CB-CD1 4.06Å; C1330-Y1385 HydrophobicContact CB-CE1 3.54Å |
| 1331 | D | 72.1 | Confident | 77 | Confident | 112 Ų | 112 | 43.2 Ų | 43.2 | 60% | 0.599 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -65.2 | -30.3 | 179.6 | -65.8 | -12.1 | 0 | 0 | 0 | 112.2 | V1327 G1333 | V1327-D1331 VanDerWaalsContact CG1-OD2 3.31Å; V1327-D1331 WeakPolarHBondContact CG1-OD2 3.39Å; V1327-D1331 WeakPolarHBondContact O-CB 3.49Å; V1327-D1331 PolarHBondContact O-N 2.68Å; D1331-G1333 VanDerWaalsContact C-N 3.32Å |
| 1332 | R | 74.1 | Confident | 76.5 | Confident | 111 Ų | 111 | 51 Ų | 51 | 42% | 0.419 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -5.3 | 175.4 | -71.5 | 177.6 | -179.7 | -159.4 | -3.2 | 114.2 | L1297 V1298 Y1302 T1328 C1330 E1334 | L1297-R1332 PolarHBondContact O-NH1 3.42Å; V1298-R1332 PolarHBondContact O-NH1 3.29Å; V1298-R1332 VanDerWaalsContact O-NH1 3.15Å; V1298-R1332 PolarHBondContact O-NH2 2.85Å; Y1302-R1332 WeakPolarHBondContact OH-CD 3.4Å; T1328-R1332 WeakPolarHBondContact O-CB 3.16Å; T1328-R1332 VanDerWaalsContact O-CG 3.25Å; T1328-R1332 WeakPolarHBondContact O-CG 3.38Å; T1328-R1332 PolarHBondContact O-N 2.95Å; T1328-R1332 VanDerWaalsContact O-N 3.08Å; C1330-R1332 VanDerWaalsContact C-N 3.27Å; C1330-R1332 PolarHBondContact O-N 3.47Å; R1332-E1334 PolarHBondContact O-N 3.21Å |
| 1333 | G | 69.3 | Low | 76 | Confident | 56 Ų | 56 | 51.2 Ų | 51.2 | 58% | 0.577 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.6 | 9.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | V1329 C1330 D1331 A1335 | V1329-G1333 PolarHBondContact O-N 3.47Å; C1330-G1333 PolarHBondContact O-N 2.87Å; C1330-G1333 VanDerWaalsContact O-N 3.09Å; D1331-G1333 VanDerWaalsContact C-N 3.32Å; G1333-A1335 VanDerWaalsContact C-N 3.29Å; G1333-A1335 PolarHBondContact O-N 2.86Å |
| 1334 | E | 72.9 | Confident | 75.5 | Confident | 68 Ų | 68 | 48.5 Ų | 48.5 | 32% | 0.318 | 28% | 0.279 | S | S | . | . | trans | -95.3 | 31.1 | 179.8 | -67.5 | -170 | -111 | 0 | 0 | 112.7 | Y1302 V1329 R1332 S1336 K1337 | Y1302-E1334 HydrophobicContact CE2-CB 4.2Å; Y1302-E1334 VanDerWaalsContact CE2-OE2 3.26Å; Y1302-E1334 WeakPolarHBondContact CE2-OE2 3.49Å; Y1302-E1334 PolarHBondContact OH-OE1 3.41Å; V1329-E1334 HydrophobicContact CG1-CB 4.35Å; V1329-E1334 VanDerWaalsContact CG1-O 3.31Å; V1329-E1334 WeakPolarHBondContact CG1-O 3.15Å; V1329-E1334 PolarHBondContact O-N 2.7Å; R1332-E1334 PolarHBondContact O-N 3.21Å; E1334-S1336 PolarHBondContact O-N 2.79Å; E1334-K1337 PolarHBondContact O-N 3.47Å; E1334-K1337 WeakPolarHBondContact OE2-CE 3.47Å; E1334-K1337 IonicContact OE2-NZ 3.8Å; E1334-K1337 PolarHBondContact OE2-NZ 3.02Å | ||
| 1335 | A | 71.2 | Confident | 74.7 | Confident | 23 Ų | 23 | 51.2 Ų | 51.2 | 19% | 0.19 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -23.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | G1333 K1337 L1338 V1388 | G1333-A1335 VanDerWaalsContact C-N 3.29Å; G1333-A1335 PolarHBondContact O-N 2.86Å; A1335-K1337 PolarHBondContact O-N 2.98Å; A1335-L1338 WeakPolarHBondContact O-CB 3.1Å; A1335-L1338 PolarHBondContact O-N 3.45Å; A1335-L1338 VanDerWaalsContact O-N 3.17Å; A1335-V1388 HydrophobicContact CB-CG2 3.48Å; A1335-V1388 VanDerWaalsContact CB-CG2 3.48Å |
| 1336 | S | 70.8 | Confident | 74.2 | Confident | 89 Ų | 89 | 52.3 Ų | 52.3 | 62% | 0.622 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -59.2 | -33.4 | 179.2 | 59 | 0 | 0 | 0 | 0 | 113 | E1334 I1339 | E1334-S1336 PolarHBondContact O-N 2.79Å; S1336-I1339 PolarHBondContact O-N 3.41Å |
| 1337 | K | 73.7 | Confident | 73.9 | Confident | 84 Ų | 84 | 54.2 Ų | 54.2 | 37% | 0.365 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -69 | -33.5 | 178.9 | -69.2 | 175.3 | -178.9 | 164.7 | 0 | 112.2 | Y1302 E1334 A1335 I1339 S1340 F1341 | Y1302-K1337 HydrophobicContact CD2-CD 3.42Å; Y1302-K1337 VanDerWaalsContact CD2-CD 3.42Å; Y1302-K1337 HydrophobicContact CE2-CD 3.97Å; Y1302-K1337 HydrophobicContact CG-CD 4.39Å; E1334-K1337 PolarHBondContact O-N 3.47Å; E1334-K1337 WeakPolarHBondContact OE2-CE 3.47Å; E1334-K1337 IonicContact OE2-NZ 3.8Å; E1334-K1337 PolarHBondContact OE2-NZ 3.02Å; A1335-K1337 PolarHBondContact O-N 2.98Å; K1337-I1339 PolarHBondContact O-N 3.43Å; K1337-S1340 PolarHBondContact O-N 2.89Å; K1337-S1340 VanDerWaalsContact O-N 3.15Å; K1337-S1340 PolarHBondContact O-OG 2.93Å; K1337-F1341 WeakPolarHBondContact O-CD2 3.43Å |
| 1338 | L | 75 | Confident | 73.7 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -60.1 | -32.1 | 177.2 | -70 | 174.9 | 0 | 0 | 0 | 112.4 | L1325 V1329 A1335 S1340 Y1343 V1388 | L1325-L1338 HydrophobicContact CD2-CD2 4.42Å; L1325-L1338 HydrophobicContact CG-CD2 4.18Å; V1329-L1338 HydrophobicContact CB-CD1 3.98Å; V1329-L1338 HydrophobicContact CB-CD2 4.06Å; V1329-L1338 HydrophobicContact CB-CG 3.97Å; V1329-L1338 HydrophobicContact CG1-CD1 3.91Å; V1329-L1338 HydrophobicContact CG1-CD2 4.13Å; V1329-L1338 HydrophobicContact CG1-CG 3.62Å; V1329-L1338 HydrophobicContact CG2-CD2 4.1Å; V1329-L1338 HydrophobicContact CG2-CG 4.48Å; A1335-L1338 WeakPolarHBondContact O-CB 3.1Å; A1335-L1338 PolarHBondContact O-N 3.45Å; A1335-L1338 VanDerWaalsContact O-N 3.17Å; L1338-S1340 VanDerWaalsContact C-N 3.32Å; L1338-Y1343 WeakPolarHBondContact O-CE2 3.29Å; L1338-Y1343 PolarHBondContact O-OH 3.38Å; L1338-V1388 HydrophobicContact CD1-CG1 4.27Å |
| 1339 | I | 73.6 | Confident | 73.7 | Confident | 28 Ų | 28 | 61.6 Ų | 61.6 | 14% | 0.144 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -73.7 | -29.3 | -177.4 | -55.9 | 164 | 0 | 0 | 0 | 111.1 | S1336 K1337 A1391 H1395 | S1336-I1339 PolarHBondContact O-N 3.41Å; K1337-I1339 PolarHBondContact O-N 3.43Å; I1339-A1391 HydrophobicContact CD1-CB 3.48Å; I1339-A1391 VanDerWaalsContact CD1-CB 3.48Å; I1339-A1391 HydrophobicContact CG1-CB 4.5Å; I1339-H1395 HydrophobicContact CG2-CB 3.53Å |
| 1340 | S | 75.7 | Confident | 73.8 | Confident | 80 Ų | 80 | 61.6 Ų | 61.6 | 56% | 0.559 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -76.7 | -19.3 | -178.8 | 72.7 | 0 | 0 | 0 | 0 | 114.2 | K1337 L1338 | K1337-S1340 PolarHBondContact O-N 2.89Å; K1337-S1340 VanDerWaalsContact O-N 3.15Å; K1337-S1340 PolarHBondContact O-OG 2.93Å; L1338-S1340 VanDerWaalsContact C-N 3.32Å |
| 1341 | F | 74.2 | Confident | 74.2 | Confident | 20 Ų | 20 | 62.7 Ų | 62.7 | 9% | 0.088 | 36% | 0.357 | C | S | . | . | trans | -77.9 | 136.7 | -176.5 | -64.5 | -43.7 | 0 | 0 | 0 | 112.6 | T1303 Y1306 K1337 Y1343 | T1303-F1341 HydrophobicContact CG2-CE1 4.01Å; T1303-F1341 HydrophobicContact CG2-CZ 4.34Å; Y1306-F1341 HydrophobicContact CD1-CB 4.47Å; Y1306-F1341 AromaticContact CD1-CD1 4Å; Y1306-F1341 HydrophobicContact CD1-CD1 4Å; Y1306-F1341 HydrophobicContact CD1-CG 4.25Å; Y1306-F1341 HydrophobicContact CD2-CB 4.29Å; Y1306-F1341 HydrophobicContact CD2-CD2 4.26Å; Y1306-F1341 HydrophobicContact CD2-CG 4.18Å; Y1306-F1341 HydrophobicContact CE1-CB 4.29Å; Y1306-F1341 HydrophobicContact CE1-CD1 4.48Å; Y1306-F1341 HydrophobicContact CE2-CB 4.12Å; Y1306-F1341 HydrophobicContact CG-CB 4.47Å; Y1306-F1341 HydrophobicContact CG-CD1 4.1Å; Y1306-F1341 HydrophobicContact CG-CD2 4.31Å; Y1306-F1341 HydrophobicContact CG-CE1 4.43Å; Y1306-F1341 HydrophobicContact CG-CG 4.06Å; K1337-F1341 WeakPolarHBondContact O-CD2 3.43Å; F1341-Y1343 HydrophobicContact CB-CE1 4.19Å; F1341-Y1343 HydrophobicContact CB-CE2 4.03Å; F1341-Y1343 WeakPolarHBondContact O-CD2 3.26Å; F1341-Y1343 WeakPolarHBondContact O-CE2 3.14Å; F1341-Y1343 PolarHBondContact O-N 3.46Å | ||
| 1342 | Q | 73.4 | Confident | 74.6 | Confident | 166 Ų | 166 | 59.7 Ų | 59.7 | 78% | 0.776 | 35% | 0.347 | S | S | * | . | trans | -93.6 | 91.7 | 176.8 | -68 | -176.8 | 5.4 | 0 | 0 | 111 | Y1306 G1344 | Y1306-Q1342 PolarHBondContact OH-O 2.68Å; Q1342-G1344 VanDerWaalsContact C-N 3.27Å; Q1342-G1344 PolarHBondContact O-N 2.96Å | ||
| 1343 | Y | 75.2 | Confident | 74.9 | Confident | 3 Ų | 3 | 55.1 Ų | 55.1 | 1% | 0.012 | 33% | 0.331 | C | S | . | . | trans | -65.6 | -17.2 | -174.6 | -61 | -78.6 | 0 | 0 | 0 | 115.8 | Y1306 L1322 L1338 F1341 M1346 F1350 Y1392 | Y1306-Y1343 HydrophobicContact CD2-CE1 4.29Å; Y1306-Y1343 AromaticContact CE2-CD1 3.66Å; Y1306-Y1343 HydrophobicContact CE2-CD1 3.66Å; Y1306-Y1343 AromaticContact CE2-CE1 3.71Å; Y1306-Y1343 HydrophobicContact CE2-CE1 3.71Å; Y1306-Y1343 WeakPolarHBondContact OH-CA 3.42Å; Y1306-Y1343 PolarHBondContact OH-N 2.94Å; L1322-Y1343 HydrophobicContact CD1-CD1 4.13Å; L1322-Y1343 HydrophobicContact CD1-CE1 3.97Å; L1338-Y1343 WeakPolarHBondContact O-CE2 3.29Å; L1338-Y1343 PolarHBondContact O-OH 3.38Å; F1341-Y1343 HydrophobicContact CB-CE1 4.19Å; F1341-Y1343 HydrophobicContact CB-CE2 4.03Å; F1341-Y1343 WeakPolarHBondContact O-CD2 3.26Å; F1341-Y1343 WeakPolarHBondContact O-CE2 3.14Å; F1341-Y1343 PolarHBondContact O-N 3.46Å; Y1343-M1346 PolarHBondContact O-N 3.15Å; Y1343-F1350 HydrophobicContact CD1-CB 4.35Å; Y1343-F1350 HydrophobicContact CD1-CD2 4.14Å; Y1343-F1350 HydrophobicContact CD1-CG 4.29Å; Y1343-F1350 HydrophobicContact CD2-CD1 4.05Å; Y1343-F1350 HydrophobicContact CD2-CD2 4.36Å; Y1343-F1350 HydrophobicContact CD2-CE1 4.29Å; Y1343-F1350 HydrophobicContact CD2-CG 4.07Å; Y1343-F1350 AromaticContact CE1-CD2 3.7Å; Y1343-F1350 HydrophobicContact CE1-CD2 3.7Å; Y1343-F1350 AromaticContact CE1-CE2 3.97Å; Y1343-F1350 HydrophobicContact CE1-CE2 3.97Å; Y1343-F1350 HydrophobicContact CE1-CG 4.26Å; Y1343-F1350 HydrophobicContact CE2-CD1 4.01Å; Y1343-F1350 AromaticContact CE2-CD2 3.96Å; Y1343-F1350 HydrophobicContact CE2-CD2 3.96Å; Y1343-F1350 AromaticContact CE2-CE1 3.84Å; Y1343-F1350 HydrophobicContact CE2-CE1 3.84Å; Y1343-F1350 AromaticContact CE2-CE2 3.8Å; Y1343-F1350 HydrophobicContact CE2-CE2 3.8Å; Y1343-F1350 HydrophobicContact CE2-CG 4.06Å; Y1343-F1350 AromaticContact CE2-CZ 3.73Å; Y1343-F1350 HydrophobicContact CE2-CZ 3.73Å; Y1343-F1350 HydrophobicContact CG-CB 4.26Å; Y1343-F1350 HydrophobicContact CG-CD2 4.46Å; Y1343-F1350 HydrophobicContact CG-CG 4.21Å; Y1343-F1350 AromaticContact CZ-CD2 3.61Å; Y1343-F1350 AromaticContact CZ-CE2 3.42Å; Y1343-F1350 VanDerWaalsContact CZ-CE2 3.42Å; Y1343-F1350 AromaticContact CZ-CZ 3.81Å; Y1343-F1350 WeakPolarHBondContact OH-CE2 3.49Å; Y1343-Y1392 HydrophobicContact CD2-CE2 4.13Å; Y1343-Y1392 HydrophobicContact CE2-CE2 4.01Å | ||
| 1344 | G | 71.6 | Confident | 75.5 | Confident | 47 Ų | 47 | 52.4 Ų | 52.4 | 49% | 0.485 | 30% | 0.304 | S | S | . | . | G | 310 helix | trans | 53.4 | -124.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q1342 M1346 E1347 | Q1342-G1344 VanDerWaalsContact C-N 3.27Å; Q1342-G1344 PolarHBondContact O-N 2.96Å; G1344-M1346 PolarHBondContact O-N 3.43Å; G1344-E1347 VanDerWaalsContact O-CB 3.3Å; G1344-E1347 WeakPolarHBondContact O-CB 3.47Å; G1344-E1347 PolarHBondContact O-N 2.78Å |
| 1345 | P | 67.5 | Low | 76 | Confident | 125 Ų | 125 | 52.2 Ų | 52.2 | 81% | 0.812 | 30% | 0.303 | S | S | * | . | G | 310 helix | trans | -67.5 | -16.4 | -178.7 | 30 | -35.4 | 0 | 0 | 0 | 114 | E1347 | P1345-E1347 VanDerWaalsContact C-N 3.31Š|
| 1346 | M | 73.7 | Confident | 76.3 | Confident | 22 Ų | 22 | 53.7 Ų | 53.7 | 11% | 0.108 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -88.2 | 2.1 | 178 | -67.7 | 178 | 52.7 | 0 | 0 | 112.8 | L1309 R1318 L1322 Y1343 G1344 N1348 E1349 F1350 | L1309-M1346 HydrophobicContact CD2-CE 3.53Å; L1309-M1346 HydrophobicContact CD2-SD 3.91Å; L1309-M1346 HydrophobicContact CG-CE 4.36Å; R1318-M1346 HydrophobicContact CB-CE 4.23Å; R1318-M1346 HydrophobicContact CB-SD 4.35Å; L1322-M1346 HydrophobicContact CB-CE 3.92Å; L1322-M1346 HydrophobicContact CD1-CE 4.31Å; L1322-M1346 HydrophobicContact CD2-CE 3.69Å; L1322-M1346 HydrophobicContact CG-CE 4.19Å; Y1343-M1346 PolarHBondContact O-N 3.15Å; G1344-M1346 PolarHBondContact O-N 3.43Å; M1346-N1348 VanDerWaalsContact C-N 3.34Å; M1346-N1348 PolarHBondContact O-N 2.96Å; M1346-E1349 WeakPolarHBondContact O-CB 3.42Å; M1346-E1349 PolarHBondContact O-N 3.44Å; M1346-E1349 VanDerWaalsContact O-N 3.16Å; M1346-F1350 PolarHBondContact O-N 3.12Å |
| 1347 | E | 75.5 | Confident | 76.7 | Confident | 41 Ų | 41 | 54.9 Ų | 54.9 | 19% | 0.192 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60.1 | -42.3 | -179 | 176.8 | 161.2 | -168.3 | 0 | 0 | 112.9 | G1344 P1345 E1349 F1350 I1351 Y1392 R1396 | G1344-E1347 VanDerWaalsContact O-CB 3.3Å; G1344-E1347 WeakPolarHBondContact O-CB 3.47Å; G1344-E1347 PolarHBondContact O-N 2.78Å; P1345-E1347 VanDerWaalsContact C-N 3.31Å; E1347-E1349 VanDerWaalsContact C-N 3.29Å; E1347-E1349 PolarHBondContact O-N 3.17Å; E1347-F1350 WeakPolarHBondContact O-CB 3.44Å; E1347-F1350 PolarHBondContact O-N 2.92Å; E1347-I1351 HydrophobicContact CG-CD1 3.96Å; E1347-I1351 WeakPolarHBondContact O-CG1 2.87Å; E1347-I1351 PolarHBondContact O-N 3.22Å; E1347-Y1392 WeakPolarHBondContact CG-OH 3.18Å; E1347-Y1392 PolarHBondContact OE1-OH 3.27Å; E1347-R1396 VanDerWaalsContact CD-NH2 3.28Å; E1347-R1396 IonicContact OE1-CZ 3.22Å; E1347-R1396 IonicContact OE1-NE 3.91Å; E1347-R1396 PolarHBondContact OE1-NE 3.43Å; E1347-R1396 IonicContact OE1-NH1 2.9Å; E1347-R1396 PolarHBondContact OE1-NH1 3.2Å; E1347-R1396 IonicContact OE1-NH2 2.82Å; E1347-R1396 PolarHBondContact OE1-NH2 3.39Å; E1347-R1396 IonicContact OE2-CZ 3.65Å; E1347-R1396 IonicContact OE2-NH1 3.04Å; E1347-R1396 PolarHBondContact OE2-NH1 2.75Å; E1347-R1396 IonicContact OE2-NH2 2.79Å; E1347-R1396 PolarHBondContact OE2-NH2 3.48Å |
| 1348 | N | 75 | Confident | 76.9 | Confident | 131 Ų | 131 | 50.9 Ų | 50.9 | 70% | 0.701 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -63.2 | -37.7 | 176.9 | -66.2 | -16.9 | 0 | 0 | 0 | 111.6 | M1346 A1352 | M1346-N1348 VanDerWaalsContact C-N 3.34Å; M1346-N1348 PolarHBondContact O-N 2.96Å; N1348-A1352 WeakPolarHBondContact O-CB 3.34Å; N1348-A1352 PolarHBondContact O-N 3.3Å |
| 1349 | E | 80.1 | Confident | 77 | Confident | 82 Ų | 82 | 56.5 Ų | 56.5 | 38% | 0.383 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -69.8 | -38.8 | 175.3 | -69.7 | -75.5 | 165.3 | 0 | 0 | 111.3 | R1319 L1322 M1346 E1347 A1352 I1353 | R1319-E1349 WeakPolarHBondContact CD-OE2 3.26Å; R1319-E1349 WeakPolarHBondContact CG-OE2 3.44Å; L1322-E1349 HydrophobicContact CD2-CB 4.25Å; M1346-E1349 WeakPolarHBondContact O-CB 3.42Å; M1346-E1349 PolarHBondContact O-N 3.44Å; M1346-E1349 VanDerWaalsContact O-N 3.16Å; E1347-E1349 VanDerWaalsContact C-N 3.29Å; E1347-E1349 PolarHBondContact O-N 3.17Å; E1349-A1352 PolarHBondContact O-N 3.46Å; E1349-I1353 WeakPolarHBondContact O-CB 3.2Å; E1349-I1353 WeakPolarHBondContact O-CD1 3.38Å; E1349-I1353 WeakPolarHBondContact O-CG1 3.5Å; E1349-I1353 PolarHBondContact O-N 3.04Å |
| 1350 | F | 82 | Confident | 77 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -60.2 | -50.2 | 175.8 | 172.2 | -101.8 | 0 | 0 | 0 | 111.4 | L1322 I1326 Y1343 M1346 E1347 I1353 L1354 Y1392 | L1322-F1350 HydrophobicContact CD1-CD2 4.23Å; L1322-F1350 HydrophobicContact CD2-CB 4.04Å; I1326-F1350 HydrophobicContact CD1-CD2 3.67Å; I1326-F1350 HydrophobicContact CD1-CE2 4.07Å; I1326-F1350 HydrophobicContact CG1-CD2 3.89Å; I1326-F1350 HydrophobicContact CG1-CE2 3.82Å; Y1343-F1350 HydrophobicContact CD1-CB 4.35Å; Y1343-F1350 HydrophobicContact CD1-CD2 4.14Å; Y1343-F1350 HydrophobicContact CD1-CG 4.29Å; Y1343-F1350 HydrophobicContact CD2-CD1 4.05Å; Y1343-F1350 HydrophobicContact CD2-CD2 4.36Å; Y1343-F1350 HydrophobicContact CD2-CE1 4.29Å; Y1343-F1350 HydrophobicContact CD2-CG 4.07Å; Y1343-F1350 AromaticContact CE1-CD2 3.7Å; Y1343-F1350 HydrophobicContact CE1-CD2 3.7Å; Y1343-F1350 AromaticContact CE1-CE2 3.97Å; Y1343-F1350 HydrophobicContact CE1-CE2 3.97Å; Y1343-F1350 HydrophobicContact CE1-CG 4.26Å; Y1343-F1350 HydrophobicContact CE2-CD1 4.01Å; Y1343-F1350 AromaticContact CE2-CD2 3.96Å; Y1343-F1350 HydrophobicContact CE2-CD2 3.96Å; Y1343-F1350 AromaticContact CE2-CE1 3.84Å; Y1343-F1350 HydrophobicContact CE2-CE1 3.84Å; Y1343-F1350 AromaticContact CE2-CE2 3.8Å; Y1343-F1350 HydrophobicContact CE2-CE2 3.8Å; Y1343-F1350 HydrophobicContact CE2-CG 4.06Å; Y1343-F1350 AromaticContact CE2-CZ 3.73Å; Y1343-F1350 HydrophobicContact CE2-CZ 3.73Å; Y1343-F1350 HydrophobicContact CG-CB 4.26Å; Y1343-F1350 HydrophobicContact CG-CD2 4.46Å; Y1343-F1350 HydrophobicContact CG-CG 4.21Å; Y1343-F1350 AromaticContact CZ-CD2 3.61Å; Y1343-F1350 AromaticContact CZ-CE2 3.42Å; Y1343-F1350 VanDerWaalsContact CZ-CE2 3.42Å; Y1343-F1350 AromaticContact CZ-CZ 3.81Å; Y1343-F1350 WeakPolarHBondContact OH-CE2 3.49Å; M1346-F1350 PolarHBondContact O-N 3.12Å; E1347-F1350 WeakPolarHBondContact O-CB 3.44Å; E1347-F1350 PolarHBondContact O-N 2.92Å; F1350-I1353 PolarHBondContact O-N 3.18Å; F1350-L1354 HydrophobicContact CD1-CD1 3.97Å; F1350-L1354 HydrophobicContact CD2-CD1 4.26Å; F1350-L1354 HydrophobicContact CE1-CD1 3.38Å; F1350-L1354 HydrophobicContact CE2-CD1 3.71Å; F1350-L1354 HydrophobicContact CE2-CG 4.39Å; F1350-L1354 HydrophobicContact CG-CD1 4.38Å; F1350-L1354 HydrophobicContact CZ-CD1 3.24Å; F1350-L1354 HydrophobicContact CZ-CG 4.35Å; F1350-L1354 WeakPolarHBondContact O-CB 3.47Å; F1350-L1354 PolarHBondContact O-N 2.74Å; F1350-Y1392 HydrophobicContact CD1-CE1 4.34Å; F1350-Y1392 HydrophobicContact CD1-CE2 4.2Å; F1350-Y1392 HydrophobicContact CE1-CD1 4.23Å; F1350-Y1392 AromaticContact CE1-CD2 3.71Å; F1350-Y1392 HydrophobicContact CE1-CD2 3.71Å; F1350-Y1392 HydrophobicContact CE1-CE1 4.15Å; F1350-Y1392 AromaticContact CE1-CE2 3.61Å; F1350-Y1392 HydrophobicContact CE1-CE2 3.61Å; F1350-Y1392 HydrophobicContact CE1-CG 4.01Å; F1350-Y1392 AromaticContact CE1-CZ 3.82Å; F1350-Y1392 HydrophobicContact CZ-CD2 4.33Å; F1350-Y1392 HydrophobicContact CZ-CE2 4.4Å |
| 1351 | I | 82.2 | Confident | 76.7 | Confident | 29 Ų | 29 | 56.1 Ų | 56.1 | 15% | 0.149 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63.6 | -47.6 | 177.7 | -63 | 168.9 | 0 | 0 | 0 | 109.8 | E1347 I1353 L1354 E1355 Y1392 | E1347-I1351 HydrophobicContact CG-CD1 3.96Å; E1347-I1351 WeakPolarHBondContact O-CG1 2.87Å; E1347-I1351 PolarHBondContact O-N 3.22Å; I1351-I1353 VanDerWaalsContact C-N 3.34Å; I1351-I1353 PolarHBondContact O-N 3.27Å; I1351-L1354 PolarHBondContact O-N 3.19Å; I1351-E1355 HydrophobicContact CG2-CG 4.19Å; I1351-E1355 WeakPolarHBondContact CG2-OE1 3.35Å; I1351-E1355 WeakPolarHBondContact O-CB 3.11Å; I1351-E1355 WeakPolarHBondContact O-CG 3.36Å; I1351-E1355 PolarHBondContact O-N 3.31Å; I1351-Y1392 HydrophobicContact CD1-CE1 4.16Å; I1351-Y1392 HydrophobicContact CG1-CE1 4.12Å |
| 1352 | A | 80.2 | Confident | 76.1 | Confident | 48 Ų | 48 | 59.9 Ų | 59.9 | 40% | 0.397 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61.1 | -39.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | N1348 E1349 A1356 | N1348-A1352 WeakPolarHBondContact O-CB 3.34Å; N1348-A1352 PolarHBondContact O-N 3.3Å; E1349-A1352 PolarHBondContact O-N 3.46Å; A1352-A1356 VanDerWaalsContact O-CB 3.25Å; A1352-A1356 WeakPolarHBondContact O-CB 3.45Å; A1352-A1356 PolarHBondContact O-N 3.22Å |
| 1353 | I | 81.1 | Confident | 75.7 | Confident | 15 Ų | 15 | 52.2 Ų | 52.2 | 8% | 0.077 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -68.7 | -44.9 | 176.2 | -68.9 | 164.3 | 0 | 0 | 0 | 110.7 | R1319 L1322 R1323 I1326 E1349 F1350 I1351 A1356 R1357 | R1319-I1353 HydrophobicContact CG-CD1 3.93Å; L1322-I1353 HydrophobicContact CB-CD1 4.39Å; L1322-I1353 HydrophobicContact CD2-CD1 3.97Å; L1322-I1353 HydrophobicContact CG-CD1 4.24Å; R1323-I1353 HydrophobicContact CB-CD1 4.32Å; R1323-I1353 HydrophobicContact CB-CG2 4.07Å; R1323-I1353 HydrophobicContact CG-CG2 3.88Å; I1326-I1353 HydrophobicContact CD1-CB 4.02Å; I1326-I1353 HydrophobicContact CD1-CG2 3.68Å; E1349-I1353 WeakPolarHBondContact O-CB 3.2Å; E1349-I1353 WeakPolarHBondContact O-CD1 3.38Å; E1349-I1353 WeakPolarHBondContact O-CG1 3.5Å; E1349-I1353 PolarHBondContact O-N 3.04Å; F1350-I1353 PolarHBondContact O-N 3.18Å; I1351-I1353 VanDerWaalsContact C-N 3.34Å; I1351-I1353 PolarHBondContact O-N 3.27Å; I1353-A1356 PolarHBondContact O-N 3.32Å; I1353-R1357 VanDerWaalsContact O-CB 3.28Å; I1353-R1357 WeakPolarHBondContact O-CB 3.49Å; I1353-R1357 PolarHBondContact O-N 2.69Å |
| 1354 | L | 81.8 | Confident | 75 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.8 | -44.1 | 177.1 | -89.6 | 173 | 0 | 0 | 0 | 111.6 | I1326 F1350 I1351 R1357 A1358 Y1385 V1388 L1389 | I1326-L1354 HydrophobicContact CD1-CG 4.29Å; I1326-L1354 HydrophobicContact CG2-CD2 3.39Å; I1326-L1354 HydrophobicContact CG2-CG 3.92Å; F1350-L1354 HydrophobicContact CD1-CD1 3.97Å; F1350-L1354 HydrophobicContact CD2-CD1 4.26Å; F1350-L1354 HydrophobicContact CE1-CD1 3.38Å; F1350-L1354 HydrophobicContact CE2-CD1 3.71Å; F1350-L1354 HydrophobicContact CE2-CG 4.39Å; F1350-L1354 HydrophobicContact CG-CD1 4.38Å; F1350-L1354 HydrophobicContact CZ-CD1 3.24Å; F1350-L1354 HydrophobicContact CZ-CG 4.35Å; F1350-L1354 WeakPolarHBondContact O-CB 3.47Å; F1350-L1354 PolarHBondContact O-N 2.74Å; I1351-L1354 PolarHBondContact O-N 3.19Å; L1354-R1357 PolarHBondContact O-N 3.19Å; L1354-A1358 WeakPolarHBondContact O-CB 3.44Å; L1354-A1358 PolarHBondContact O-N 3.48Å; L1354-Y1385 HydrophobicContact CD2-CD1 3.88Å; L1354-V1388 HydrophobicContact CD1-CG1 4.23Å; L1354-V1388 HydrophobicContact CD2-CG1 4.42Å; L1354-L1389 HydrophobicContact CB-CD1 4.25Å; L1354-L1389 HydrophobicContact CB-CD2 3.61Å; L1354-L1389 HydrophobicContact CB-CG 3.89Å; L1354-L1389 HydrophobicContact CD1-CD2 3.94Å; L1354-L1389 HydrophobicContact CD1-CG 4.29Å; L1354-L1389 HydrophobicContact CG-CD2 4.4Å |
| 1355 | E | 82.1 | Confident | 74.2 | Confident | 63 Ų | 63 | 54.1 Ų | 54.1 | 29% | 0.294 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -61.8 | -49.3 | 175.3 | -77.4 | -177.6 | -174 | 0 | 0 | 111.8 | I1351 R1357 A1358 R1359 L1389 | I1351-E1355 HydrophobicContact CG2-CG 4.19Å; I1351-E1355 WeakPolarHBondContact CG2-OE1 3.35Å; I1351-E1355 WeakPolarHBondContact O-CB 3.11Å; I1351-E1355 WeakPolarHBondContact O-CG 3.36Å; I1351-E1355 PolarHBondContact O-N 3.31Å; E1355-R1357 VanDerWaalsContact C-N 3.26Å; E1355-R1357 PolarHBondContact O-N 3.26Å; E1355-A1358 PolarHBondContact O-N 3.35Å; E1355-R1359 WeakPolarHBondContact O-CB 3.39Å; E1355-R1359 WeakPolarHBondContact O-CG 3.22Å; E1355-R1359 PolarHBondContact O-N 2.91Å; E1355-R1359 IonicContact OE2-CZ 3.18Å; E1355-R1359 IonicContact OE2-NH2 3.48Å; E1355-R1359 PolarHBondContact OE2-NH2 2.85Å; E1355-L1389 HydrophobicContact CG-CD1 4.37Å |
| 1356 | A | 77.8 | Confident | 73.3 | Confident | 54 Ų | 54 | 50.7 Ų | 50.7 | 45% | 0.446 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -60.5 | -38.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | A1352 I1353 A1360 | A1352-A1356 VanDerWaalsContact O-CB 3.25Å; A1352-A1356 WeakPolarHBondContact O-CB 3.45Å; A1352-A1356 PolarHBondContact O-N 3.22Å; I1353-A1356 PolarHBondContact O-N 3.32Å; A1356-A1360 VanDerWaalsContact O-CB 3.3Å; A1356-A1360 WeakPolarHBondContact O-CB 3.39Å; A1356-A1360 PolarHBondContact O-N 3.16Å |
| 1357 | R | 79.2 | Confident | 71.8 | Confident | 114 Ų | 114 | 53 Ų | 53 | 43% | 0.43 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -74.7 | -40.5 | 178.4 | -163 | 66.7 | 171.7 | 170.7 | -0.3 | 112.1 | I1353 L1354 E1355 R1359 A1360 A1361 Y1385 | I1353-R1357 VanDerWaalsContact O-CB 3.28Å; I1353-R1357 WeakPolarHBondContact O-CB 3.49Å; I1353-R1357 PolarHBondContact O-N 2.69Å; L1354-R1357 PolarHBondContact O-N 3.19Å; E1355-R1357 VanDerWaalsContact C-N 3.26Å; E1355-R1357 PolarHBondContact O-N 3.26Å; R1357-R1359 VanDerWaalsContact C-N 3.29Å; R1357-R1359 PolarHBondContact O-N 2.75Å; R1357-A1360 PolarHBondContact O-N 3.41Å; R1357-A1361 VanDerWaalsContact O-CB 3.27Å; R1357-A1361 WeakPolarHBondContact O-CB 3.46Å; R1357-A1361 PolarHBondContact O-N 3.18Å; R1357-Y1385 HydrophobicContact CB-CD2 4.47Å; R1357-Y1385 HydrophobicContact CG-CD1 4.29Å; R1357-Y1385 HydrophobicContact CG-CD2 3.92Å; R1357-Y1385 HydrophobicContact CG-CE1 3.94Å; R1357-Y1385 HydrophobicContact CG-CE2 3.54Å; R1357-Y1385 HydrophobicContact CG-CG 4.29Å |
| 1358 | A | 78.5 | Confident | 70.1 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -57.2 | -46.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | L1354 E1355 A1360 N1383 Y1386 L1389 R1412 | L1354-A1358 WeakPolarHBondContact O-CB 3.44Å; L1354-A1358 PolarHBondContact O-N 3.48Å; E1355-A1358 PolarHBondContact O-N 3.35Å; A1358-A1360 PolarHBondContact O-N 2.76Å; A1358-N1383 PolarHBondContact O-ND2 2.87Å; A1358-Y1386 HydrophobicContact CB-CD1 4.25Å; A1358-Y1386 HydrophobicContact CB-CD2 4.15Å; A1358-Y1386 HydrophobicContact CB-CE1 4.05Å; A1358-Y1386 HydrophobicContact CB-CE2 3.95Å; A1358-Y1386 HydrophobicContact CB-CG 4.29Å; A1358-L1389 HydrophobicContact CB-CD1 4.02Å; A1358-R1412 PolarHBondContact O-NH1 3.04Å |
| 1359 | R | 77.6 | Confident | 68.5 | Low | 119 Ų | 119 | 55.5 Ų | 55.5 | 45% | 0.449 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -66 | -30.7 | 175.7 | -71 | -174.4 | -145.2 | 124.9 | 5.7 | 114.6 | E1355 R1357 E1408 R1412 | E1355-R1359 WeakPolarHBondContact O-CB 3.39Å; E1355-R1359 WeakPolarHBondContact O-CG 3.22Å; E1355-R1359 PolarHBondContact O-N 2.91Å; E1355-R1359 IonicContact OE2-CZ 3.18Å; E1355-R1359 IonicContact OE2-NH2 3.48Å; E1355-R1359 PolarHBondContact OE2-NH2 2.85Å; R1357-R1359 VanDerWaalsContact C-N 3.29Å; R1357-R1359 PolarHBondContact O-N 2.75Å; R1359-E1408 WeakPolarHBondContact CG-OE1 3.45Å; R1359-E1408 IonicContact NE-OE1 3.41Å; R1359-E1408 PolarHBondContact NE-OE1 3.24Å; R1359-R1412 VanDerWaalsContact CA-NH1 3.27Å; R1359-R1412 PolarHBondContact O-NH1 2.8Å; R1359-R1412 PolarHBondContact O-NH2 2.92Å |
| 1360 | A | 72.5 | Confident | 66.6 | Low | 77 Ų | 77 | 56 Ų | 56 | 64% | 0.636 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -87.7 | -25 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | A1356 R1357 A1358 | A1356-A1360 VanDerWaalsContact O-CB 3.3Å; A1356-A1360 WeakPolarHBondContact O-CB 3.39Å; A1356-A1360 PolarHBondContact O-N 3.16Å; R1357-A1360 PolarHBondContact O-N 3.41Å; A1358-A1360 PolarHBondContact O-N 2.76Å |
| 1361 | A | 69.7 | Low | 64.6 | Low | 23 Ų | 23 | 61 Ų | 61 | 19% | 0.19 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -73.2 | 146.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | R1357 N1383 Y1385 R1412 | R1357-A1361 VanDerWaalsContact O-CB 3.27Å; R1357-A1361 WeakPolarHBondContact O-CB 3.46Å; R1357-A1361 PolarHBondContact O-N 3.18Å; A1361-N1383 WeakPolarHBondContact CB-ND2 2.94Å; A1361-Y1385 HydrophobicContact CB-CD2 3.97Å; A1361-Y1385 HydrophobicContact CB-CE2 4.06Å; A1361-R1412 PolarHBondContact O-NH2 2.93Å; A1361-R1412 VanDerWaalsContact O-NH2 3.14Å |
| 1362 | D | 62 | Low | 62.2 | Low | 98 Ų | 98 | 68.7 Ų | 68.7 | 52% | 0.524 | 39% | 0.389 | S | S | . | . | trans | -65.3 | 138.2 | 178 | -154.2 | -4 | 0 | 0 | 0 | 110 | ||||
| 1363 | V | 64.9 | Low | 59.9 | Low | 6 Ų | 6 | 75.8 Ų | 75.8 | 4% | 0.036 | 41% | 0.411 | C | S | . | . | S | Bend | trans | -82.6 | -29.2 | -165.3 | -160.7 | 0 | 0 | 0 | 0 | 111.3 | R1412 L1413 | V1363-R1412 HydrophobicContact CG1-CB 4.45Å; V1363-R1412 HydrophobicContact CG2-CB 4.19Å; V1363-L1413 HydrophobicContact CB-CD2 4.26Å; V1363-L1413 HydrophobicContact CG1-CB 4.39Å; V1363-L1413 HydrophobicContact CG1-CD2 3.34Å; V1363-L1413 HydrophobicContact CG1-CG 3.47Å; V1363-L1413 VanDerWaalsContact CG1-CG 3.47Å |
| 1364 | V | 60 | Low | 57.5 | Low | 3 Ų | 3 | 80.6 Ų | 80.6 | 2% | 0.018 | 45% | 0.446 | C | S | . | . | trans | -127.8 | 98.7 | -179.5 | -176 | 0 | 0 | 0 | 0 | 110.9 | V1366 L1413 R1433 I1436 | V1364-V1366 PolarHBondContact O-N 3.34Å; V1364-L1413 HydrophobicContact CG2-CD2 3.74Å; V1364-R1433 HydrophobicContact CG1-CB 4.43Å; V1364-R1433 HydrophobicContact CG1-CG 4.27Å; V1364-I1436 HydrophobicContact CG1-CB 4.42Å; V1364-I1436 HydrophobicContact CG1-CG2 4.09Å | ||
| 1365 | I | 54.5 | Low | 55.1 | Low | 86 Ų | 86 | 86 Ų | 86 | 44% | 0.441 | 48% | 0.479 | S | S | . | . | trans | -83 | 111.3 | 171.1 | -53.5 | 172.1 | 0 | 0 | 0 | 108.4 | P1367 G1381 | I1365-P1367 WeakPolarHBondContact O-CD 3.2Å; I1365-G1381 WeakPolarHBondContact CB-O 3.25Å; I1365-G1381 PolarHBondContact N-O 2.96Å; I1365-G1381 WeakPolarHBondContact O-CA 3.48Å | ||
| 1366 | V | 49.4 | Very low | 52.8 | Low | 54 Ų | 54 | 89.6 Ų | 89.6 | 33% | 0.327 | 51% | 0.508 | S | S | . | . | P | Polyproline II helix | trans | -80 | 121.1 | 172.1 | -176.8 | 0 | 0 | 0 | 0 | 108.7 | V1364 D1368 R1433 | V1364-V1366 PolarHBondContact O-N 3.34Å; V1366-D1368 PolarHBondContact O-N 3.46Å; V1366-R1433 HydrophobicContact CG2-CB 4.44Å; V1366-R1433 HydrophobicContact CG2-CG 3.12Å |
| 1367 | P | 42 | Very low | 50.7 | Low | 71 Ų | 71 | 92 Ų | 92 | 46% | 0.461 | 52% | 0.521 | S | S | . | . | P | Polyproline II helix | trans | -69.7 | 125.3 | 175 | 22.8 | -24.3 | 0 | 0 | 0 | 110.3 | I1365 | I1365-P1367 WeakPolarHBondContact O-CD 3.2Š|
| 1368 | D | 40 | Very low | 48.5 | Very low | 109 Ų | 109 | 90.8 Ų | 90.8 | 58% | 0.583 | 53% | 0.53 | S | S | * | . | P | Polyproline II helix | trans | -69.9 | 119 | 179 | -158.1 | 8.6 | 0 | 0 | 0 | 109.4 | V1366 S1370 T1371 | V1366-D1368 PolarHBondContact O-N 3.46Å; D1368-S1370 PolarHBondContact O-N 3.24Å; D1368-T1371 PolarHBondContact O-N 3.33Å; D1368-T1371 VanDerWaalsContact O-N 3.08Å; D1368-T1371 PolarHBondContact O-OG1 3.36Å |
| 1369 | P | 41.7 | Very low | 46.7 | Very low | 115 Ų | 115 | 96 Ų | 96 | 75% | 0.747 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.1 | -10.3 | -168.9 | 21.6 | -33.1 | 0 | 0 | 0 | 115.1 | T1371 | P1369-T1371 VanDerWaalsContact C-N 3.33Š|
| 1370 | S | 39.8 | Very low | 45 | Very low | 92 Ų | 92 | 94 Ų | 94 | 64% | 0.643 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.1 | -20.2 | 175 | 63.5 | 0 | 0 | 0 | 0 | 113.6 | D1368 K1372 | D1368-S1370 PolarHBondContact O-N 3.24Å; S1370-K1372 VanDerWaalsContact C-N 3.32Å; S1370-K1372 PolarHBondContact O-N 2.81Å; S1370-K1372 VanDerWaalsContact O-N 3.07Å |
| 1371 | T | 39 | Very low | 44 | Very low | 106 Ų | 106 | 91.2 Ų | 91.2 | 65% | 0.65 | 55% | 0.552 | S | S | * | * | trans | -89.4 | 56.6 | -176 | 53.5 | 0 | 0 | 0 | 0 | 113.1 | D1368 P1369 K1373 | D1368-T1371 PolarHBondContact O-N 3.33Å; D1368-T1371 VanDerWaalsContact O-N 3.08Å; D1368-T1371 PolarHBondContact O-OG1 3.36Å; P1369-T1371 VanDerWaalsContact C-N 3.33Å; T1371-K1373 PolarHBondContact O-N 3.42Å | ||
| 1372 | K | 32.9 | Very low | 43.4 | Very low | 189 Ų | 189 | 91.3 Ų | 91.3 | 82% | 0.822 | 55% | 0.551 | S | S | * | * | trans | -76.3 | 84 | 166.3 | -76.2 | -176.6 | 179.9 | 176.5 | 0 | 110.1 | S1370 | S1370-K1372 VanDerWaalsContact C-N 3.32Å; S1370-K1372 PolarHBondContact O-N 2.81Å; S1370-K1372 VanDerWaalsContact O-N 3.07Å | ||
| 1373 | K | 30.9 | Very low | 43.6 | Very low | 197 Ų | 197 | 86.7 Ų | 86.7 | 86% | 0.857 | 53% | 0.526 | S | S | * | . | trans | 174 | 101.5 | 155.9 | -99 | 158.9 | -173.5 | -174.8 | 0 | 110.2 | T1371 | T1371-K1373 PolarHBondContact O-N 3.42Š| ||
| 1374 | S | 31.2 | Very low | 43.9 | Very low | 116 Ų | 116 | 88.2 Ų | 88.2 | 81% | 0.811 | 54% | 0.537 | S | S | * | . | S | Bend | trans | 152.8 | 117.5 | 134 | 63.5 | 0 | 0 | 0 | 0 | 112.7 | ||
| 1375 | V | 31.9 | Very low | 44.9 | Very low | 114 Ų | 114 | 88.6 Ų | 88.6 | 69% | 0.691 | 54% | 0.538 | S | S | * | . | trans | 60.1 | 110.6 | 154.6 | -161.6 | 0 | 0 | 0 | 0 | 118.9 | S1377 | V1375-S1377 PolarHBondContact O-N 3.04Š| ||
| 1376 | P | 33.3 | Very low | 46.3 | Very low | 138 Ų | 138 | 84.6 Ų | 84.6 | 90% | 0.896 | 52% | 0.517 | S | S | * | . | S | Bend | trans | -89.1 | 41.5 | -171.9 | 37.3 | -36.5 | 0 | 0 | 0 | 115.6 | ||
| 1377 | S | 33.1 | Very low | 47.8 | Very low | 105 Ų | 105 | 85 Ų | 85 | 73% | 0.734 | 52% | 0.517 | S | S | * | . | trans | -117.6 | 7.8 | -173.5 | 60.5 | 0 | 0 | 0 | 0 | 117.3 | V1375 | V1375-S1377 PolarHBondContact O-N 3.04Š| ||
| 1378 | S | 34.2 | Very low | 49.8 | Very low | 89 Ų | 89 | 81.8 Ų | 81.8 | 62% | 0.622 | 50% | 0.497 | S | S | * | . | S | Bend | trans | -125.1 | 132.7 | 165.1 | 46.1 | 0 | 0 | 0 | 0 | 109.7 | A1380 | S1378-A1380 PolarHBondContact O-N 3.33Š|
| 1379 | P | 41.4 | Very low | 51.8 | Low | 109 Ų | 109 | 76.7 Ų | 76.7 | 71% | 0.708 | 47% | 0.469 | S | S | * | . | trans | -59.5 | 112.6 | -176.4 | 23.5 | -31.3 | 0 | 0 | 0 | 109.1 | G1381 | P1379-G1381 PolarHBondContact O-N 3.17Š| ||
| 1380 | A | 41.5 | Very low | 53.9 | Low | 77 Ų | 77 | 73.9 Ų | 73.9 | 64% | 0.636 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.7 | 119.3 | -169.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | S1378 R1440 | S1378-A1380 PolarHBondContact O-N 3.33Å; A1380-R1440 PolarHBondContact O-NH2 2.96Å |
| 1381 | G | 51.7 | Low | 56 | Low | 19 Ų | 19 | 71.1 Ų | 71.1 | 20% | 0.196 | 43% | 0.427 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 94.5 | 8 | 165.4 | 0 | 0 | 0 | 0 | 0 | 117.9 | I1365 P1379 R1440 | I1365-G1381 WeakPolarHBondContact CB-O 3.25Å; I1365-G1381 PolarHBondContact N-O 2.96Å; I1365-G1381 WeakPolarHBondContact O-CA 3.48Å; P1379-G1381 PolarHBondContact O-N 3.17Å; G1381-R1440 VanDerWaalsContact C-NH1 3.33Å; G1381-R1440 PolarHBondContact O-NH1 3.02Å; G1381-R1440 PolarHBondContact O-NH2 3.09Å |
| 1382 | S | 55.4 | Low | 58.2 | Low | 24 Ų | 24 | 66 Ų | 66 | 17% | 0.168 | 40% | 0.396 | C | S | . | . | trans | -68.2 | 151.3 | -178.2 | -167.6 | 0 | 0 | 0 | 0 | 112.7 | P1384 D1387 | S1382-P1384 WeakPolarHBondContact O-CD 3.29Å; S1382-D1387 WeakPolarHBondContact CB-OD2 3.34Å; S1382-D1387 PolarHBondContact OG-OD2 2.84Å | ||
| 1383 | N | 67.3 | Low | 60.6 | Low | 1 Ų | 1 | 57.8 Ų | 57.8 | 1% | 0.005 | 36% | 0.36 | C | S | . | . | trans | -74.9 | 103.6 | 164.2 | 177.6 | -18.1 | 0 | 0 | 0 | 107.4 | A1358 A1361 Y1385 Y1386 | A1358-N1383 PolarHBondContact O-ND2 2.87Å; A1361-N1383 WeakPolarHBondContact CB-ND2 2.94Å; N1383-Y1385 PolarHBondContact O-N 3.45Å; N1383-Y1385 WeakPolarHBondContact OD1-CB 3.33Å; N1383-Y1385 WeakPolarHBondContact OD1-CD2 3.49Å; N1383-Y1385 PolarHBondContact OD1-N 2.81Å; N1383-Y1386 HydrophobicContact CB-CD2 4.38Å; N1383-Y1386 PolarHBondContact O-N 3.29Å | ||
| 1384 | P | 71 | Confident | 63.1 | Low | 39 Ų | 39 | 51 Ų | 51 | 25% | 0.253 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -64.3 | -22 | -169.1 | 28.3 | -35.7 | 0 | 0 | 0 | 112.3 | C1330 S1382 D1387 V1388 | C1330-P1384 HydrophobicContact CB-CB 4.36Å; C1330-P1384 HydrophobicContact CB-CG 4.15Å; S1382-P1384 WeakPolarHBondContact O-CD 3.29Å; P1384-D1387 PolarHBondContact O-N 2.98Å; P1384-V1388 WeakPolarHBondContact O-CG2 3.36Å; P1384-V1388 PolarHBondContact O-N 3.07Å |
| 1385 | Y | 80.8 | Confident | 65.4 | Low | 11 Ų | 11 | 51.8 Ų | 51.8 | 4% | 0.043 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -70.3 | -37.6 | -174.3 | -55.2 | -64.5 | 0 | 0 | 0 | 112.8 | I1326 C1330 L1354 R1357 A1361 N1383 V1388 L1389 | I1326-Y1385 HydrophobicContact CG2-CD1 4.31Å; I1326-Y1385 HydrophobicContact CG2-CE1 4.16Å; C1330-Y1385 HydrophobicContact CB-CD1 4.06Å; C1330-Y1385 HydrophobicContact CB-CE1 3.54Å; L1354-Y1385 HydrophobicContact CD2-CD1 3.88Å; R1357-Y1385 HydrophobicContact CB-CD2 4.47Å; R1357-Y1385 HydrophobicContact CG-CD1 4.29Å; R1357-Y1385 HydrophobicContact CG-CD2 3.92Å; R1357-Y1385 HydrophobicContact CG-CE1 3.94Å; R1357-Y1385 HydrophobicContact CG-CE2 3.54Å; R1357-Y1385 HydrophobicContact CG-CG 4.29Å; A1361-Y1385 HydrophobicContact CB-CD2 3.97Å; A1361-Y1385 HydrophobicContact CB-CE2 4.06Å; N1383-Y1385 PolarHBondContact O-N 3.45Å; N1383-Y1385 WeakPolarHBondContact OD1-CB 3.33Å; N1383-Y1385 WeakPolarHBondContact OD1-CD2 3.49Å; N1383-Y1385 PolarHBondContact OD1-N 2.81Å; Y1385-V1388 PolarHBondContact O-N 3.3Å; Y1385-L1389 WeakPolarHBondContact O-CB 3.2Å; Y1385-L1389 WeakPolarHBondContact O-CG 3.2Å; Y1385-L1389 PolarHBondContact O-N 3.48Å |
| 1386 | Y | 83.2 | Confident | 67.8 | Low | 2 Ų | 2 | 51.1 Ų | 51.1 | 1% | 0.008 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -66.3 | -40.3 | 174.1 | -79.5 | -68.2 | 0 | 0 | 0 | 111.1 | A1358 N1383 L1389 Y1390 V1405 M1406 E1408 H1409 R1412 | A1358-Y1386 HydrophobicContact CB-CD1 4.25Å; A1358-Y1386 HydrophobicContact CB-CD2 4.15Å; A1358-Y1386 HydrophobicContact CB-CE1 4.05Å; A1358-Y1386 HydrophobicContact CB-CE2 3.95Å; A1358-Y1386 HydrophobicContact CB-CG 4.29Å; N1383-Y1386 HydrophobicContact CB-CD2 4.38Å; N1383-Y1386 PolarHBondContact O-N 3.29Å; Y1386-L1389 PolarHBondContact O-N 3.05Å; Y1386-Y1390 WeakPolarHBondContact O-CB 3.49Å; Y1386-Y1390 PolarHBondContact O-N 3.33Å; Y1386-V1405 HydrophobicContact CD1-CG1 3.78Å; Y1386-M1406 VanDerWaalsContact O-CE 3.3Å; Y1386-M1406 WeakPolarHBondContact O-CE 3.49Å; Y1386-E1408 HydrophobicContact CE1-CB 4.39Å; Y1386-E1408 HydrophobicContact CE1-CG 4.38Å; Y1386-E1408 PolarHBondContact OH-OE1 3.41Å; Y1386-H1409 HydrophobicContact CD1-CB 3.7Å; Y1386-H1409 HydrophobicContact CD2-CB 3.89Å; Y1386-H1409 AromaticContact CD2-CE1 3.97Å; Y1386-H1409 AromaticContact CD2-CG 3.56Å; Y1386-H1409 AromaticContact CD2-ND1 3.44Å; Y1386-H1409 WeakPolarHBondContact CD2-ND1 3.38Å; Y1386-H1409 HydrophobicContact CE1-CB 4.05Å; Y1386-H1409 HydrophobicContact CE2-CB 4.21Å; Y1386-H1409 AromaticContact CE2-ND1 3.75Å; Y1386-H1409 HydrophobicContact CG-CB 3.64Å; Y1386-H1409 AromaticContact CG-CG 3.66Å; Y1386-R1412 VanDerWaalsContact OH-CD 3.28Å; Y1386-R1412 WeakPolarHBondContact OH-CD 3.4Å; Y1386-R1412 PolarHBondContact OH-NH1 3.38Å |
| 1387 | D | 81.5 | Confident | 69.9 | Low | 62 Ų | 62 | 47.1 Ų | 47.1 | 33% | 0.332 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -63.6 | -42.5 | 176.4 | -64.7 | -31.9 | 0 | 0 | 0 | 111.5 | S1382 P1384 A1391 | S1382-D1387 WeakPolarHBondContact CB-OD2 3.34Å; S1382-D1387 PolarHBondContact OG-OD2 2.84Å; P1384-D1387 PolarHBondContact O-N 2.98Å; D1387-A1391 VanDerWaalsContact O-CB 3.28Å; D1387-A1391 WeakPolarHBondContact O-CB 3.41Å; D1387-A1391 PolarHBondContact O-N 3.31Å |
| 1388 | V | 83.6 | Confident | 72.3 | Confident | 4 Ų | 4 | 45.8 Ų | 45.8 | 2% | 0.024 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64 | -47.4 | 174.9 | 179.7 | 0 | 0 | 0 | 0 | 111.2 | A1335 L1338 L1354 P1384 Y1385 Y1390 A1391 Y1392 | A1335-V1388 HydrophobicContact CB-CG2 3.48Å; A1335-V1388 VanDerWaalsContact CB-CG2 3.48Å; L1338-V1388 HydrophobicContact CD1-CG1 4.27Å; L1354-V1388 HydrophobicContact CD1-CG1 4.23Å; L1354-V1388 HydrophobicContact CD2-CG1 4.42Å; P1384-V1388 WeakPolarHBondContact O-CG2 3.36Å; P1384-V1388 PolarHBondContact O-N 3.07Å; Y1385-V1388 PolarHBondContact O-N 3.3Å; V1388-Y1390 VanDerWaalsContact C-N 3.34Å; V1388-Y1390 PolarHBondContact O-N 3.04Å; V1388-A1391 PolarHBondContact O-N 3.09Å; V1388-Y1392 WeakPolarHBondContact O-CB 3.47Å; V1388-Y1392 PolarHBondContact O-N 2.84Å |
| 1389 | L | 83.7 | Confident | 74.7 | Confident | 2 Ų | 2 | 45.5 Ų | 45.5 | 1% | 0.01 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -58.6 | -47.5 | 178.4 | -81.9 | 168.1 | 0 | 0 | 0 | 111 | L1354 E1355 A1358 Y1385 Y1386 Y1392 H1393 V1405 | L1354-L1389 HydrophobicContact CB-CD1 4.25Å; L1354-L1389 HydrophobicContact CB-CD2 3.61Å; L1354-L1389 HydrophobicContact CB-CG 3.89Å; L1354-L1389 HydrophobicContact CD1-CD2 3.94Å; L1354-L1389 HydrophobicContact CD1-CG 4.29Å; L1354-L1389 HydrophobicContact CG-CD2 4.4Å; E1355-L1389 HydrophobicContact CG-CD1 4.37Å; A1358-L1389 HydrophobicContact CB-CD1 4.02Å; Y1385-L1389 WeakPolarHBondContact O-CB 3.2Å; Y1385-L1389 WeakPolarHBondContact O-CG 3.2Å; Y1385-L1389 PolarHBondContact O-N 3.48Å; Y1386-L1389 PolarHBondContact O-N 3.05Å; L1389-Y1392 PolarHBondContact O-N 2.91Å; L1389-H1393 PolarHBondContact O-CD2 3.21Å; L1389-H1393 PolarHBondContact O-N 3.34Å; L1389-V1405 HydrophobicContact CB-CG1 3.57Å; L1389-V1405 HydrophobicContact CB-CG2 4.31Å; L1389-V1405 HydrophobicContact CD1-CG1 4.22Å |
| 1390 | Y | 84.6 | Confident | 76.8 | Confident | 55 Ų | 55 | 44.2 Ų | 44.2 | 22% | 0.216 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.8 | -51.6 | 176.5 | 173.7 | -98.8 | 0 | 0 | 0 | 111.9 | Y1386 V1388 Y1392 H1393 I1394 A1402 M1406 T1451 | Y1386-Y1390 WeakPolarHBondContact O-CB 3.49Å; Y1386-Y1390 PolarHBondContact O-N 3.33Å; V1388-Y1390 VanDerWaalsContact C-N 3.34Å; V1388-Y1390 PolarHBondContact O-N 3.04Å; Y1390-Y1392 VanDerWaalsContact C-N 3.27Å; Y1390-Y1392 PolarHBondContact O-N 3.44Å; Y1390-H1393 PolarHBondContact O-N 2.9Å; Y1390-I1394 HydrophobicContact CD1-CG1 4.23Å; Y1390-I1394 HydrophobicContact CD2-CG1 4.35Å; Y1390-I1394 HydrophobicContact CE1-CG1 3.91Å; Y1390-I1394 HydrophobicContact CE2-CD1 4.26Å; Y1390-I1394 HydrophobicContact CE2-CG1 4.1Å; Y1390-I1394 HydrophobicContact CG-CG1 4.43Å; Y1390-I1394 WeakPolarHBondContact O-CB 3.33Å; Y1390-I1394 VanDerWaalsContact O-CG1 3.27Å; Y1390-I1394 WeakPolarHBondContact O-CG1 3.37Å; Y1390-I1394 PolarHBondContact O-N 3.23Å; Y1390-A1402 HydrophobicContact CD2-CB 3.9Å; Y1390-A1402 HydrophobicContact CE2-CB 4.18Å; Y1390-M1406 HydrophobicContact CD1-CE 4.22Å; Y1390-M1406 HydrophobicContact CD2-CB 4.32Å; Y1390-M1406 HydrophobicContact CD2-CE 4.15Å; Y1390-M1406 HydrophobicContact CD2-CG 3.22Å; Y1390-M1406 HydrophobicContact CD2-SD 4.4Å; Y1390-M1406 HydrophobicContact CE2-CG 3.74Å; Y1390-M1406 HydrophobicContact CG-CE 3.65Å; Y1390-M1406 HydrophobicContact CG-CG 3.77Å; Y1390-M1406 HydrophobicContact CG-SD 4.44Å; Y1390-T1451 HydrophobicContact CE2-CG2 3.36Å; Y1390-T1451 VanDerWaalsContact OH-CG2 3.23Å; Y1390-T1451 WeakPolarHBondContact OH-CG2 3.42Å |
| 1391 | A | 84.8 | Confident | 78.7 | Confident | 34 Ų | 34 | 41.5 Ų | 41.5 | 28% | 0.281 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -62.2 | -36.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | I1339 D1387 V1388 H1395 | I1339-A1391 HydrophobicContact CD1-CB 3.48Å; I1339-A1391 VanDerWaalsContact CD1-CB 3.48Å; I1339-A1391 HydrophobicContact CG1-CB 4.5Å; D1387-A1391 VanDerWaalsContact O-CB 3.28Å; D1387-A1391 WeakPolarHBondContact O-CB 3.41Å; D1387-A1391 PolarHBondContact O-N 3.31Å; V1388-A1391 PolarHBondContact O-N 3.09Å; A1391-H1395 WeakPolarHBondContact O-CB 3.22Å; A1391-H1395 PolarHBondContact O-N 2.71Å |
| 1392 | Y | 83.6 | Confident | 80.3 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.4 | -48.2 | 174.8 | -178.1 | -98 | 0 | 0 | 0 | 112.3 | Y1343 E1347 F1350 I1351 V1388 L1389 Y1390 H1395 R1396 | Y1343-Y1392 HydrophobicContact CD2-CE2 4.13Å; Y1343-Y1392 HydrophobicContact CE2-CE2 4.01Å; E1347-Y1392 WeakPolarHBondContact CG-OH 3.18Å; E1347-Y1392 PolarHBondContact OE1-OH 3.27Å; F1350-Y1392 HydrophobicContact CD1-CE1 4.34Å; F1350-Y1392 HydrophobicContact CD1-CE2 4.2Å; F1350-Y1392 HydrophobicContact CE1-CD1 4.23Å; F1350-Y1392 AromaticContact CE1-CD2 3.71Å; F1350-Y1392 HydrophobicContact CE1-CD2 3.71Å; F1350-Y1392 HydrophobicContact CE1-CE1 4.15Å; F1350-Y1392 AromaticContact CE1-CE2 3.61Å; F1350-Y1392 HydrophobicContact CE1-CE2 3.61Å; F1350-Y1392 HydrophobicContact CE1-CG 4.01Å; F1350-Y1392 AromaticContact CE1-CZ 3.82Å; F1350-Y1392 HydrophobicContact CZ-CD2 4.33Å; F1350-Y1392 HydrophobicContact CZ-CE2 4.4Å; I1351-Y1392 HydrophobicContact CD1-CE1 4.16Å; I1351-Y1392 HydrophobicContact CG1-CE1 4.12Å; V1388-Y1392 WeakPolarHBondContact O-CB 3.47Å; V1388-Y1392 PolarHBondContact O-N 2.84Å; L1389-Y1392 PolarHBondContact O-N 2.91Å; Y1390-Y1392 VanDerWaalsContact C-N 3.27Å; Y1390-Y1392 PolarHBondContact O-N 3.44Å; Y1392-H1395 PolarHBondContact O-N 2.86Å; Y1392-R1396 VanDerWaalsContact CZ-NE 3.25Å; Y1392-R1396 PolarHBondContact O-N 3.38Å; Y1392-R1396 PolarHBondContact OH-NE 2.94Å; Y1392-R1396 PolarHBondContact OH-NH2 2.86Å |
| 1393 | H | 83.2 | Confident | 81.8 | Confident | 15 Ų | 15 | 39.4 Ų | 39.4 | 7% | 0.069 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -66.3 | -38.9 | 177.1 | -73.2 | -62.3 | 0 | 0 | 0 | 112.4 | L1389 Y1390 R1396 A1397 D1398 A1401 A1402 | L1389-H1393 PolarHBondContact O-CD2 3.21Å; L1389-H1393 PolarHBondContact O-N 3.34Å; Y1390-H1393 PolarHBondContact O-N 2.9Å; H1393-R1396 CarbonylContact O-C 3.57Å; H1393-R1396 PolarHBondContact O-N 3.18Å; H1393-A1397 PolarHBondContact O-N 3.25Å; H1393-A1397 VanDerWaalsContact O-N 3.15Å; H1393-D1398 PolarHBondContact O-N 3.42Å; H1393-A1401 HydrophobicContact CB-CB 4.46Å; H1393-A1402 HydrophobicContact CB-CB 3.72Å |
| 1394 | I | 84.6 | Confident | 82.6 | Confident | 55 Ų | 55 | 41.8 Ų | 41.8 | 28% | 0.282 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -61.1 | -47.2 | 174 | -69.7 | -61.1 | 0 | 0 | 0 | 111.4 | Y1390 R1396 A1397 Y1399 A1402 T1451 | Y1390-I1394 HydrophobicContact CD1-CG1 4.23Å; Y1390-I1394 HydrophobicContact CD2-CG1 4.35Å; Y1390-I1394 HydrophobicContact CE1-CG1 3.91Å; Y1390-I1394 HydrophobicContact CE2-CD1 4.26Å; Y1390-I1394 HydrophobicContact CE2-CG1 4.1Å; Y1390-I1394 HydrophobicContact CG-CG1 4.43Å; Y1390-I1394 WeakPolarHBondContact O-CB 3.33Å; Y1390-I1394 VanDerWaalsContact O-CG1 3.27Å; Y1390-I1394 WeakPolarHBondContact O-CG1 3.37Å; Y1390-I1394 PolarHBondContact O-N 3.23Å; I1394-R1396 PolarHBondContact O-N 3.11Å; I1394-A1397 PolarHBondContact O-N 3.46Å; I1394-Y1399 HydrophobicContact CD1-CD1 3.9Å; I1394-Y1399 HydrophobicContact CD1-CE1 4.4Å; I1394-A1402 HydrophobicContact CD1-CB 3.81Å; I1394-A1402 HydrophobicContact CG1-CB 4.06Å; I1394-T1451 HydrophobicContact CD1-CG2 3.64Å |
| 1395 | H | 79.3 | Confident | 83.4 | Confident | 132 Ų | 132 | 40.3 Ų | 40.3 | 61% | 0.611 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -61.6 | -29.2 | 179.6 | -176.3 | -88.9 | 0 | 0 | 0 | 112.4 | I1339 A1391 Y1392 | I1339-H1395 HydrophobicContact CG2-CB 3.53Å; A1391-H1395 WeakPolarHBondContact O-CB 3.22Å; A1391-H1395 PolarHBondContact O-N 2.71Å; Y1392-H1395 PolarHBondContact O-N 2.86Å |
| 1396 | R | 81.6 | Confident | 83.6 | Confident | 101 Ų | 101 | 40 Ų | 40 | 38% | 0.381 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | 6.1 | 176.2 | -70.9 | -179.1 | 167.8 | -124.9 | 16.2 | 114.2 | E1347 Y1392 H1393 I1394 D1398 | E1347-R1396 VanDerWaalsContact CD-NH2 3.28Å; E1347-R1396 IonicContact OE1-CZ 3.22Å; E1347-R1396 IonicContact OE1-NE 3.91Å; E1347-R1396 PolarHBondContact OE1-NE 3.43Å; E1347-R1396 IonicContact OE1-NH1 2.9Å; E1347-R1396 PolarHBondContact OE1-NH1 3.2Å; E1347-R1396 IonicContact OE1-NH2 2.82Å; E1347-R1396 PolarHBondContact OE1-NH2 3.39Å; E1347-R1396 IonicContact OE2-CZ 3.65Å; E1347-R1396 IonicContact OE2-NH1 3.04Å; E1347-R1396 PolarHBondContact OE2-NH1 2.75Å; E1347-R1396 IonicContact OE2-NH2 2.79Å; E1347-R1396 PolarHBondContact OE2-NH2 3.48Å; Y1392-R1396 VanDerWaalsContact CZ-NE 3.25Å; Y1392-R1396 PolarHBondContact O-N 3.38Å; Y1392-R1396 PolarHBondContact OH-NE 2.94Å; Y1392-R1396 PolarHBondContact OH-NH2 2.86Å; H1393-R1396 CarbonylContact O-C 3.57Å; H1393-R1396 PolarHBondContact O-N 3.18Å; I1394-R1396 PolarHBondContact O-N 3.11Å; R1396-D1398 PolarHBondContact O-N 3.38Å |
| 1397 | A | 78.4 | Confident | 83.7 | Confident | 54 Ų | 54 | 41.1 Ų | 41.1 | 45% | 0.446 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.6 | 23.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | H1393 I1394 Y1399 | H1393-A1397 PolarHBondContact O-N 3.25Å; H1393-A1397 VanDerWaalsContact O-N 3.15Å; I1394-A1397 PolarHBondContact O-N 3.46Å; A1397-Y1399 VanDerWaalsContact C-N 3.33Å; A1397-Y1399 HydrophobicContact CB-CE2 4.04Å; A1397-Y1399 WeakPolarHBondContact O-CD2 3.27Å; A1397-Y1399 PolarHBondContact O-N 2.73Å |
| 1398 | D | 83 | Confident | 83.8 | Confident | 77 Ų | 77 | 41 Ų | 41 | 41% | 0.412 | 21% | 0.207 | S | C | . | . | trans | -89.9 | 72.4 | 170.9 | -168 | -10.3 | 0 | 0 | 0 | 110.2 | H1393 R1396 R1400 A1401 A1402 | H1393-D1398 PolarHBondContact O-N 3.42Å; R1396-D1398 PolarHBondContact O-N 3.38Å; D1398-R1400 PolarHBondContact O-N 3.1Å; D1398-A1401 HydrophobicContact CB-CB 4.31Å; D1398-A1401 VanDerWaalsContact CG-CB 3.46Å; D1398-A1401 PolarHBondContact O-N 3.1Å; D1398-A1401 WeakPolarHBondContact OD1-CB 3.37Å; D1398-A1401 PolarHBondContact OD1-N 3.17Å; D1398-A1401 WeakPolarHBondContact OD2-CB 3.46Å; D1398-A1402 PolarHBondContact O-N 3.18Å | ||
| 1399 | Y | 85.5 | Confident | 83.8 | Confident | 82 Ų | 82 | 40.9 Ų | 40.9 | 32% | 0.322 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -64.3 | -26.3 | -173.9 | -52.9 | -63.6 | 0 | 0 | 0 | 113.3 | I1394 A1397 A1403 L1454 | I1394-Y1399 HydrophobicContact CD1-CD1 3.9Å; I1394-Y1399 HydrophobicContact CD1-CE1 4.4Å; A1397-Y1399 VanDerWaalsContact C-N 3.33Å; A1397-Y1399 HydrophobicContact CB-CE2 4.04Å; A1397-Y1399 WeakPolarHBondContact O-CD2 3.27Å; A1397-Y1399 PolarHBondContact O-N 2.73Å; Y1399-A1403 WeakPolarHBondContact O-CB 3.32Å; Y1399-A1403 PolarHBondContact O-N 3.36Å; Y1399-L1454 HydrophobicContact CD1-CB 4.29Å; Y1399-L1454 HydrophobicContact CD1-CD1 3.9Å; Y1399-L1454 HydrophobicContact CD2-CB 4.35Å; Y1399-L1454 HydrophobicContact CE1-CD1 3.99Å; Y1399-L1454 HydrophobicContact CG-CB 4.13Å |
| 1400 | R | 83.6 | Confident | 83.7 | Confident | 83 Ų | 83 | 40.8 Ų | 40.8 | 31% | 0.313 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -76.8 | -42.6 | -178.6 | -167.6 | 177.4 | -176.3 | -170.4 | -1.6 | 111.4 | D1398 A1402 A1403 S1404 V1455 W1461 L1462 | D1398-R1400 PolarHBondContact O-N 3.1Å; R1400-A1402 VanDerWaalsContact C-N 3.33Å; R1400-A1403 PolarHBondContact O-N 3.16Å; R1400-S1404 PolarHBondContact O-N 3.07Å; R1400-S1404 PolarHBondContact O-OG 3.35Å; R1400-V1455 HydrophobicContact CB-CG2 4.5Å; R1400-W1461 PolarHBondContact NE-O 2.88Å; R1400-W1461 VanDerWaalsContact NH2-CE2 3.32Å; R1400-W1461 VanDerWaalsContact NH2-CZ2 3.28Å; R1400-W1461 PolarHBondContact NH2-O 3.43Å; R1400-L1462 HydrophobicContact CG-CD2 4.37Å |
| 1401 | A | 81.9 | Confident | 83.5 | Confident | 19 Ų | 19 | 40.9 Ų | 40.9 | 16% | 0.157 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.8 | -40.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | H1393 D1398 A1403 S1404 V1405 | H1393-A1401 HydrophobicContact CB-CB 4.46Å; D1398-A1401 HydrophobicContact CB-CB 4.31Å; D1398-A1401 VanDerWaalsContact CG-CB 3.46Å; D1398-A1401 PolarHBondContact O-N 3.1Å; D1398-A1401 WeakPolarHBondContact OD1-CB 3.37Å; D1398-A1401 PolarHBondContact OD1-N 3.17Å; D1398-A1401 WeakPolarHBondContact OD2-CB 3.46Å; A1401-A1403 VanDerWaalsContact C-N 3.33Å; A1401-A1403 PolarHBondContact O-N 3.46Å; A1401-S1404 WeakPolarHBondContact CA-OG 3.1Å; A1401-S1404 PolarHBondContact O-N 3.26Å; A1401-S1404 PolarHBondContact O-OG 3.12Å; A1401-V1405 VanDerWaalsContact O-CG2 3.3Å; A1401-V1405 WeakPolarHBondContact O-CG2 3.3Å; A1401-V1405 PolarHBondContact O-N 3.42Å |
| 1402 | A | 86.3 | Confident | 83.2 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -58.1 | -45.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y1390 H1393 I1394 D1398 R1400 V1405 M1406 T1451 | Y1390-A1402 HydrophobicContact CD2-CB 3.9Å; Y1390-A1402 HydrophobicContact CE2-CB 4.18Å; H1393-A1402 HydrophobicContact CB-CB 3.72Å; I1394-A1402 HydrophobicContact CD1-CB 3.81Å; I1394-A1402 HydrophobicContact CG1-CB 4.06Å; D1398-A1402 PolarHBondContact O-N 3.18Å; R1400-A1402 VanDerWaalsContact C-N 3.33Å; A1402-V1405 PolarHBondContact O-N 3.05Å; A1402-M1406 PolarHBondContact O-N 3.29Å; A1402-M1406 VanDerWaalsContact O-N 3.14Å; A1402-T1451 HydrophobicContact CB-CG2 4.42Å |
| 1403 | A | 86.1 | Confident | 82.9 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63 | -42.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y1399 R1400 A1401 F1407 T1451 L1452 L1462 | Y1399-A1403 WeakPolarHBondContact O-CB 3.32Å; Y1399-A1403 PolarHBondContact O-N 3.36Å; R1400-A1403 PolarHBondContact O-N 3.16Å; A1401-A1403 VanDerWaalsContact C-N 3.33Å; A1401-A1403 PolarHBondContact O-N 3.46Å; A1403-F1407 VanDerWaalsContact O-CB 3.3Å; A1403-F1407 WeakPolarHBondContact O-CB 3.05Å; A1403-F1407 PolarHBondContact O-N 3.31Å; A1403-T1451 WeakPolarHBondContact CA-OG1 3.34Å; A1403-T1451 VanDerWaalsContact CB-OG1 3.27Å; A1403-T1451 WeakPolarHBondContact CB-OG1 3.35Å; A1403-L1452 HydrophobicContact CB-CD1 4.18Å; A1403-L1452 HydrophobicContact CB-CD2 4.2Å; A1403-L1452 HydrophobicContact CB-CG 3.69Å; A1403-L1462 HydrophobicContact CB-CD1 4.34Å; A1403-L1462 HydrophobicContact CB-CD2 3.94Å |
| 1404 | S | 85.1 | Confident | 82.4 | Confident | 50 Ų | 50 | 42.6 Ų | 42.6 | 35% | 0.35 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -65.5 | -38.9 | 177.7 | 55.1 | 0 | 0 | 0 | 0 | 112.8 | R1400 A1401 F1407 E1408 | R1400-S1404 PolarHBondContact O-N 3.07Å; R1400-S1404 PolarHBondContact O-OG 3.35Å; A1401-S1404 WeakPolarHBondContact CA-OG 3.1Å; A1401-S1404 PolarHBondContact O-N 3.26Å; A1401-S1404 PolarHBondContact O-OG 3.12Å; S1404-F1407 PolarHBondContact O-N 3.13Å; S1404-E1408 WeakPolarHBondContact O-CB 3.34Å; S1404-E1408 PolarHBondContact O-N 3.15Å |
| 1405 | V | 86.2 | Confident | 81.7 | Confident | 8 Ų | 8 | 44.4 Ų | 44.4 | 5% | 0.048 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.4 | -47.5 | 178.2 | 166.1 | 0 | 0 | 0 | 0 | 110.9 | Y1386 L1389 A1401 A1402 F1407 E1408 H1409 | Y1386-V1405 HydrophobicContact CD1-CG1 3.78Å; L1389-V1405 HydrophobicContact CB-CG1 3.57Å; L1389-V1405 HydrophobicContact CB-CG2 4.31Å; L1389-V1405 HydrophobicContact CD1-CG1 4.22Å; A1401-V1405 VanDerWaalsContact O-CG2 3.3Å; A1401-V1405 WeakPolarHBondContact O-CG2 3.3Å; A1401-V1405 PolarHBondContact O-N 3.42Å; A1402-V1405 PolarHBondContact O-N 3.05Å; V1405-F1407 VanDerWaalsContact C-N 3.33Å; V1405-E1408 PolarHBondContact O-N 3.32Å; V1405-H1409 PolarHBondContact O-N 2.96Å |
| 1406 | M | 86.3 | Confident | 81.1 | Confident | 5 Ų | 5 | 40.6 Ų | 40.6 | 3% | 0.025 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -69 | -32.8 | 178.1 | -79.3 | -67.7 | 149.1 | 0 | 0 | 112.5 | Y1386 Y1390 A1402 H1409 S1410 C1444 A1448 | Y1386-M1406 VanDerWaalsContact O-CE 3.3Å; Y1386-M1406 WeakPolarHBondContact O-CE 3.49Å; Y1390-M1406 HydrophobicContact CD1-CE 4.22Å; Y1390-M1406 HydrophobicContact CD2-CB 4.32Å; Y1390-M1406 HydrophobicContact CD2-CE 4.15Å; Y1390-M1406 HydrophobicContact CD2-CG 3.22Å; Y1390-M1406 HydrophobicContact CD2-SD 4.4Å; Y1390-M1406 HydrophobicContact CE2-CG 3.74Å; Y1390-M1406 HydrophobicContact CG-CE 3.65Å; Y1390-M1406 HydrophobicContact CG-CG 3.77Å; Y1390-M1406 HydrophobicContact CG-SD 4.44Å; A1402-M1406 PolarHBondContact O-N 3.29Å; A1402-M1406 VanDerWaalsContact O-N 3.14Å; M1406-H1409 PolarHBondContact O-N 3.22Å; M1406-S1410 PolarHBondContact O-N 3.31Å; M1406-C1444 HydrophobicContact SD-CB 4.39Å; M1406-A1448 HydrophobicContact CB-CB 4.13Å |
| 1407 | F | 84.5 | Confident | 80.5 | Confident | 26 Ų | 26 | 35.9 Ų | 35.9 | 11% | 0.114 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -67 | -44.6 | 172.3 | -177.1 | -100.5 | 0 | 0 | 0 | 112.1 | A1403 S1404 V1405 H1409 S1410 Y1411 L1445 A1448 L1462 C1464 L1560 L1565 | A1403-F1407 VanDerWaalsContact O-CB 3.3Å; A1403-F1407 WeakPolarHBondContact O-CB 3.05Å; A1403-F1407 PolarHBondContact O-N 3.31Å; S1404-F1407 PolarHBondContact O-N 3.13Å; V1405-F1407 VanDerWaalsContact C-N 3.33Å; F1407-H1409 VanDerWaalsContact C-N 3.27Å; F1407-H1409 PolarHBondContact O-N 2.85Å; F1407-S1410 WeakPolarHBondContact O-CB 3.32Å; F1407-S1410 PolarHBondContact O-N 2.95Å; F1407-S1410 VanDerWaalsContact O-N 3.09Å; F1407-S1410 PolarHBondContact O-OG 2.81Å; F1407-Y1411 PolarHBondContact O-N 2.87Å; F1407-L1445 HydrophobicContact CD2-CD2 4.04Å; F1407-L1445 HydrophobicContact CE2-CD2 4.16Å; F1407-A1448 HydrophobicContact CB-CB 4.47Å; F1407-L1462 HydrophobicContact CB-CD1 3.81Å; F1407-L1462 HydrophobicContact CG-CD1 4.12Å; F1407-C1464 WeakPolarHBondContact CE1-SG 3.18Å; F1407-L1560 HydrophobicContact CD1-CD1 4.41Å; F1407-L1560 HydrophobicContact CE1-CD1 3.54Å; F1407-L1560 HydrophobicContact CE2-CD1 3.86Å; F1407-L1560 HydrophobicContact CZ-CD1 3.18Å; F1407-L1565 HydrophobicContact CD2-CD2 3.17Å; F1407-L1565 HydrophobicContact CE2-CD2 3.45Å; F1407-L1565 VanDerWaalsContact CE2-CD2 3.45Å; F1407-L1565 HydrophobicContact CG-CD2 4.12Å |
| 1408 | E | 82.9 | Confident | 79.7 | Confident | 60 Ų | 60 | 35.6 Ų | 35.6 | 28% | 0.28 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -57.8 | -42.1 | 174.2 | -172.9 | -173.3 | 147.1 | 0 | 0 | 110.9 | R1359 Y1386 S1404 V1405 S1410 Y1411 R1412 | R1359-E1408 WeakPolarHBondContact CG-OE1 3.45Å; R1359-E1408 IonicContact NE-OE1 3.41Å; R1359-E1408 PolarHBondContact NE-OE1 3.24Å; Y1386-E1408 HydrophobicContact CE1-CB 4.39Å; Y1386-E1408 HydrophobicContact CE1-CG 4.38Å; Y1386-E1408 PolarHBondContact OH-OE1 3.41Å; S1404-E1408 WeakPolarHBondContact O-CB 3.34Å; S1404-E1408 PolarHBondContact O-N 3.15Å; V1405-E1408 PolarHBondContact O-N 3.32Å; E1408-S1410 VanDerWaalsContact C-N 3.35Å; E1408-S1410 PolarHBondContact O-N 3.33Å; E1408-Y1411 PolarHBondContact O-N 3.47Å; E1408-R1412 PolarHBondContact O-N 2.98Å |
| 1409 | H | 84.4 | Confident | 78.6 | Confident | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -59.7 | -46.3 | 174.4 | -171.1 | 20.1 | 0 | 0 | 0 | 111.7 | Y1386 V1405 M1406 F1407 Y1411 R1412 L1413 C1444 | Y1386-H1409 HydrophobicContact CD1-CB 3.7Å; Y1386-H1409 HydrophobicContact CD2-CB 3.89Å; Y1386-H1409 AromaticContact CD2-CE1 3.97Å; Y1386-H1409 AromaticContact CD2-CG 3.56Å; Y1386-H1409 AromaticContact CD2-ND1 3.44Å; Y1386-H1409 WeakPolarHBondContact CD2-ND1 3.38Å; Y1386-H1409 HydrophobicContact CE1-CB 4.05Å; Y1386-H1409 HydrophobicContact CE2-CB 4.21Å; Y1386-H1409 AromaticContact CE2-ND1 3.75Å; Y1386-H1409 HydrophobicContact CG-CB 3.64Å; Y1386-H1409 AromaticContact CG-CG 3.66Å; V1405-H1409 PolarHBondContact O-N 2.96Å; M1406-H1409 PolarHBondContact O-N 3.22Å; F1407-H1409 VanDerWaalsContact C-N 3.27Å; F1407-H1409 PolarHBondContact O-N 2.85Å; H1409-Y1411 VanDerWaalsContact C-N 3.29Å; H1409-Y1411 PolarHBondContact O-N 3.24Å; H1409-R1412 PolarHBondContact O-N 2.84Å; H1409-L1413 WeakPolarHBondContact O-CG 3.32Å; H1409-L1413 PolarHBondContact O-N 3.42Å; H1409-C1444 PolarHBondContact CD2-SG 3.14Å |
| 1410 | S | 81.5 | Confident | 77.2 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.9 | -37.2 | 177 | 78 | 0 | 0 | 0 | 0 | 112.5 | M1406 F1407 E1408 L1413 I1414 | M1406-S1410 PolarHBondContact O-N 3.31Å; F1407-S1410 WeakPolarHBondContact O-CB 3.32Å; F1407-S1410 PolarHBondContact O-N 2.95Å; F1407-S1410 VanDerWaalsContact O-N 3.09Å; F1407-S1410 PolarHBondContact O-OG 2.81Å; E1408-S1410 VanDerWaalsContact C-N 3.35Å; E1408-S1410 PolarHBondContact O-N 3.33Å; S1410-L1413 WeakPolarHBondContact O-CB 3.36Å; S1410-L1413 PolarHBondContact O-N 2.96Å; S1410-I1414 WeakPolarHBondContact O-CG1 3.49Å; S1410-I1414 PolarHBondContact O-N 3.08Å |
| 1411 | Y | 80 | Confident | 75.9 | Confident | 56 Ų | 56 | 30.1 Ų | 30.1 | 22% | 0.22 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -68.6 | -42.9 | 179.6 | -172.7 | -94.7 | 0 | 0 | 0 | 112 | F1407 E1408 H1409 L1413 I1414 E1415 P1467 V1468 | F1407-Y1411 PolarHBondContact O-N 2.87Å; E1408-Y1411 PolarHBondContact O-N 3.47Å; H1409-Y1411 VanDerWaalsContact C-N 3.29Å; H1409-Y1411 PolarHBondContact O-N 3.24Å; Y1411-L1413 VanDerWaalsContact C-N 3.31Å; Y1411-L1413 PolarHBondContact O-N 2.77Å; Y1411-I1414 VanDerWaalsContact O-CB 3.32Å; Y1411-I1414 WeakPolarHBondContact O-CB 3.18Å; Y1411-I1414 PolarHBondContact O-N 3.34Å; Y1411-I1414 VanDerWaalsContact O-N 3.1Å; Y1411-E1415 HydrophobicContact CE1-CG 4.27Å; Y1411-E1415 VanDerWaalsContact CE1-OE1 3.24Å; Y1411-E1415 WeakPolarHBondContact CE1-OE1 2.88Å; Y1411-E1415 PolarHBondContact O-N 3.01Å; Y1411-E1415 VanDerWaalsContact O-N 3.17Å; Y1411-P1467 PolarHBondContact OH-O 3.26Å; Y1411-V1468 HydrophobicContact CE2-CG2 3.88Å |
| 1412 | R | 80 | Confident | 74.6 | Confident | 50 Ų | 50 | 33 Ų | 33 | 19% | 0.189 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -66.2 | -33.7 | 174.4 | -71 | -173.8 | 67.2 | -141.7 | -3.2 | 112.9 | A1358 R1359 A1361 V1363 Y1386 E1408 H1409 I1414 E1415 D1416 | A1358-R1412 PolarHBondContact O-NH1 3.04Å; R1359-R1412 VanDerWaalsContact CA-NH1 3.27Å; R1359-R1412 PolarHBondContact O-NH1 2.8Å; R1359-R1412 PolarHBondContact O-NH2 2.92Å; A1361-R1412 PolarHBondContact O-NH2 2.93Å; A1361-R1412 VanDerWaalsContact O-NH2 3.14Å; V1363-R1412 HydrophobicContact CG1-CB 4.45Å; V1363-R1412 HydrophobicContact CG2-CB 4.19Å; Y1386-R1412 VanDerWaalsContact OH-CD 3.28Å; Y1386-R1412 WeakPolarHBondContact OH-CD 3.4Å; Y1386-R1412 PolarHBondContact OH-NH1 3.38Å; E1408-R1412 PolarHBondContact O-N 2.98Å; H1409-R1412 PolarHBondContact O-N 2.84Å; R1412-I1414 VanDerWaalsContact C-N 3.28Å; R1412-I1414 PolarHBondContact O-N 3.38Å; R1412-E1415 PolarHBondContact O-N 2.95Å; R1412-D1416 PolarHBondContact O-N 3.41Å |
| 1413 | L | 77.1 | Confident | 72.9 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.6 | -34.9 | 171.6 | -77.4 | 166.6 | 0 | 0 | 0 | 111.7 | V1363 V1364 H1409 S1410 Y1411 T1417 R1440 Q1441 | V1363-L1413 HydrophobicContact CB-CD2 4.26Å; V1363-L1413 HydrophobicContact CG1-CB 4.39Å; V1363-L1413 HydrophobicContact CG1-CD2 3.34Å; V1363-L1413 HydrophobicContact CG1-CG 3.47Å; V1363-L1413 VanDerWaalsContact CG1-CG 3.47Å; V1364-L1413 HydrophobicContact CG2-CD2 3.74Å; H1409-L1413 WeakPolarHBondContact O-CG 3.32Å; H1409-L1413 PolarHBondContact O-N 3.42Å; S1410-L1413 WeakPolarHBondContact O-CB 3.36Å; S1410-L1413 PolarHBondContact O-N 2.96Å; Y1411-L1413 VanDerWaalsContact C-N 3.31Å; Y1411-L1413 PolarHBondContact O-N 2.77Å; L1413-T1417 WeakPolarHBondContact O-CB 3.39Å; L1413-T1417 WeakPolarHBondContact O-CG2 3.27Å; L1413-T1417 PolarHBondContact O-N 3.22Å; L1413-T1417 PolarHBondContact O-OG1 2.92Å; L1413-R1440 HydrophobicContact CD1-CB 3.74Å; L1413-Q1441 HydrophobicContact CB-CB 4.15Å; L1413-Q1441 HydrophobicContact CB-CG 4.39Å; L1413-Q1441 HydrophobicContact CD1-CB 4.29Å |
| 1414 | I | 71.9 | Confident | 70.8 | Confident | 35 Ų | 35 | 45.4 Ų | 45.4 | 18% | 0.179 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.5 | -52.4 | 173.9 | -68.4 | 164.9 | 0 | 0 | 0 | 110.3 | S1410 Y1411 R1412 D1416 T1417 M1418 Q1441 | S1410-I1414 WeakPolarHBondContact O-CG1 3.49Å; S1410-I1414 PolarHBondContact O-N 3.08Å; Y1411-I1414 VanDerWaalsContact O-CB 3.32Å; Y1411-I1414 WeakPolarHBondContact O-CB 3.18Å; Y1411-I1414 PolarHBondContact O-N 3.34Å; Y1411-I1414 VanDerWaalsContact O-N 3.1Å; R1412-I1414 VanDerWaalsContact C-N 3.28Å; R1412-I1414 PolarHBondContact O-N 3.38Å; I1414-D1416 VanDerWaalsContact C-N 3.32Å; I1414-D1416 PolarHBondContact O-N 3.39Å; I1414-T1417 PolarHBondContact O-N 2.84Å; I1414-T1417 PolarHBondContact O-OG1 2.91Å; I1414-M1418 HydrophobicContact CG2-CE 3.63Å; I1414-M1418 HydrophobicContact CG2-CG 4.05Å; I1414-M1418 HydrophobicContact CG2-SD 3.82Å; I1414-M1418 VanDerWaalsContact O-CB 3.29Å; I1414-M1418 WeakPolarHBondContact O-CB 3.44Å; I1414-M1418 WeakPolarHBondContact O-CG 3.33Å; I1414-M1418 PolarHBondContact O-N 3.44Å; I1414-Q1441 VanDerWaalsContact CD1-NE2 3.33Å; I1414-Q1441 HydrophobicContact CG1-CG 4.07Å |
| 1415 | E | 69.1 | Low | 68.9 | Low | 94 Ų | 94 | 50.2 Ų | 50.2 | 44% | 0.439 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -58.8 | -43.8 | -179.1 | -70.4 | -177.1 | 165.1 | 0 | 0 | 112 | Y1411 R1412 M1418 L1419 | Y1411-E1415 HydrophobicContact CE1-CG 4.27Å; Y1411-E1415 VanDerWaalsContact CE1-OE1 3.24Å; Y1411-E1415 WeakPolarHBondContact CE1-OE1 2.88Å; Y1411-E1415 PolarHBondContact O-N 3.01Å; Y1411-E1415 VanDerWaalsContact O-N 3.17Å; R1412-E1415 PolarHBondContact O-N 2.95Å; E1415-M1418 PolarHBondContact O-N 2.89Å; E1415-L1419 WeakPolarHBondContact O-CB 3.39Å; E1415-L1419 WeakPolarHBondContact O-CG 3.07Å; E1415-L1419 PolarHBondContact O-N 3.22Å |
| 1416 | D | 68.4 | Low | 66.7 | Low | 52 Ų | 52 | 57.1 Ų | 57.1 | 28% | 0.278 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -68.4 | -42.8 | -180 | -166.4 | 40.6 | 0 | 0 | 0 | 112.1 | R1412 I1414 M1418 A1420 | R1412-D1416 PolarHBondContact O-N 3.41Å; I1414-D1416 VanDerWaalsContact C-N 3.32Å; I1414-D1416 PolarHBondContact O-N 3.39Å; D1416-M1418 PolarHBondContact O-N 2.95Å; D1416-A1420 WeakPolarHBondContact O-CB 3.47Å; D1416-A1420 PolarHBondContact O-N 3.46Å |
| 1417 | T | 67.8 | Low | 64.2 | Low | 2 Ų | 2 | 63.5 Ų | 63.5 | 1% | 0.012 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -67.2 | -35.3 | 175.5 | 54.8 | 0 | 0 | 0 | 0 | 112.5 | L1413 I1414 A1421 | L1413-T1417 WeakPolarHBondContact O-CB 3.39Å; L1413-T1417 WeakPolarHBondContact O-CG2 3.27Å; L1413-T1417 PolarHBondContact O-N 3.22Å; L1413-T1417 PolarHBondContact O-OG1 2.92Å; I1414-T1417 PolarHBondContact O-N 2.84Å; I1414-T1417 PolarHBondContact O-OG1 2.91Å; T1417-A1421 VanDerWaalsContact O-CB 3.31Å; T1417-A1421 WeakPolarHBondContact O-CB 3.4Å; T1417-A1421 PolarHBondContact O-N 3.41Å |
| 1418 | M | 62.9 | Low | 62.3 | Low | 48 Ų | 48 | 72.6 Ų | 72.6 | 24% | 0.236 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -68.4 | -46.7 | 175.3 | -74.1 | -168.1 | 171.6 | 0 | 0 | 111.9 | I1414 E1415 D1416 A1421 S1422 V1592 | I1414-M1418 HydrophobicContact CG2-CE 3.63Å; I1414-M1418 HydrophobicContact CG2-CG 4.05Å; I1414-M1418 HydrophobicContact CG2-SD 3.82Å; I1414-M1418 VanDerWaalsContact O-CB 3.29Å; I1414-M1418 WeakPolarHBondContact O-CB 3.44Å; I1414-M1418 WeakPolarHBondContact O-CG 3.33Å; I1414-M1418 PolarHBondContact O-N 3.44Å; E1415-M1418 PolarHBondContact O-N 2.89Å; D1416-M1418 PolarHBondContact O-N 2.95Å; M1418-A1421 PolarHBondContact O-N 3.22Å; M1418-S1422 PolarHBondContact O-N 3.46Å; M1418-S1422 VanDerWaalsContact O-N 3.09Å; M1418-V1592 HydrophobicContact CB-CG2 3.76Å; M1418-V1592 HydrophobicContact CE-CG1 3.85Å; M1418-V1592 HydrophobicContact CG-CG1 4.39Å; M1418-V1592 HydrophobicContact CG-CG2 3.79Å; M1418-V1592 HydrophobicContact SD-CG1 3.97Å; M1418-V1592 HydrophobicContact SD-CG2 4.26Å |
| 1419 | L | 58.6 | Low | 60.4 | Low | 93 Ų | 93 | 74.3 Ų | 74.3 | 49% | 0.487 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -65.3 | -42.1 | 177.1 | -75.8 | 171.6 | 0 | 0 | 0 | 111.6 | E1415 A1421 S1422 R1423 | E1415-L1419 WeakPolarHBondContact O-CB 3.39Å; E1415-L1419 WeakPolarHBondContact O-CG 3.07Å; E1415-L1419 PolarHBondContact O-N 3.22Å; L1419-A1421 PolarHBondContact O-N 2.93Å; L1419-S1422 PolarHBondContact O-N 3.3Å; L1419-S1422 PolarHBondContact O-OG 2.85Å; L1419-R1423 PolarHBondContact O-N 3.16Å |
| 1420 | A | 57.6 | Low | 58.8 | Low | 18 Ų | 18 | 74.6 Ų | 74.6 | 15% | 0.149 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -57.2 | -50.1 | 174 | 0 | 0 | 0 | 0 | 0 | 110.4 | D1416 S1422 R1423 L1424 I1434 | D1416-A1420 WeakPolarHBondContact O-CB 3.47Å; D1416-A1420 PolarHBondContact O-N 3.46Å; A1420-S1422 VanDerWaalsContact C-N 3.31Å; A1420-S1422 PolarHBondContact O-N 2.85Å; A1420-R1423 PolarHBondContact O-N 2.88Å; A1420-L1424 HydrophobicContact CB-CD1 4.03Å; A1420-L1424 VanDerWaalsContact O-CB 3.23Å; A1420-L1424 WeakPolarHBondContact O-CB 3.48Å; A1420-L1424 VanDerWaalsContact O-CD1 3.3Å; A1420-L1424 WeakPolarHBondContact O-CD1 3.28Å; A1420-L1424 PolarHBondContact O-N 3.31Å; A1420-I1434 HydrophobicContact CB-CG1 4.25Å |
| 1421 | A | 54.4 | Low | 57.7 | Low | 16 Ų | 16 | 74.9 Ų | 74.9 | 13% | 0.132 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -58.5 | -39 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | T1417 M1418 L1419 R1423 A1590 | T1417-A1421 VanDerWaalsContact O-CB 3.31Å; T1417-A1421 WeakPolarHBondContact O-CB 3.4Å; T1417-A1421 PolarHBondContact O-N 3.41Å; M1418-A1421 PolarHBondContact O-N 3.22Å; L1419-A1421 PolarHBondContact O-N 2.93Å; A1421-R1423 PolarHBondContact O-N 3.36Å; A1421-A1590 WeakPolarHBondContact CB-O 3.34Å |
| 1422 | S | 55.3 | Low | 57 | Low | 79 Ų | 79 | 73.8 Ų | 73.8 | 55% | 0.552 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -67.9 | -32.2 | 178.4 | 74.4 | 0 | 0 | 0 | 0 | 114.1 | M1418 L1419 A1420 | M1418-S1422 PolarHBondContact O-N 3.46Å; M1418-S1422 VanDerWaalsContact O-N 3.09Å; L1419-S1422 PolarHBondContact O-N 3.3Å; L1419-S1422 PolarHBondContact O-OG 2.85Å; A1420-S1422 VanDerWaalsContact C-N 3.31Å; A1420-S1422 PolarHBondContact O-N 2.85Å |
| 1423 | R | 50.3 | Low | 56.2 | Low | 208 Ų | 208 | 77.2 Ų | 77.2 | 79% | 0.785 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -89.6 | -16.2 | -175 | -69.9 | -178.6 | 178.1 | 178.3 | 0.3 | 113.6 | L1419 A1420 A1421 | L1419-R1423 PolarHBondContact O-N 3.16Å; A1420-R1423 PolarHBondContact O-N 2.88Å; A1421-R1423 PolarHBondContact O-N 3.36Å |
| 1424 | L | 42.7 | Very low | 55.8 | Low | 53 Ų | 53 | 77.8 Ų | 77.8 | 28% | 0.277 | 39% | 0.389 | S | S | . | . | trans | -105.3 | 25.3 | -161.5 | -92.3 | 147.7 | 0 | 0 | 0 | 116 | A1420 N1426 F1427 | A1420-L1424 HydrophobicContact CB-CD1 4.03Å; A1420-L1424 VanDerWaalsContact O-CB 3.23Å; A1420-L1424 WeakPolarHBondContact O-CB 3.48Å; A1420-L1424 VanDerWaalsContact O-CD1 3.3Å; A1420-L1424 WeakPolarHBondContact O-CD1 3.28Å; A1420-L1424 PolarHBondContact O-N 3.31Å; L1424-N1426 PolarHBondContact O-N 3.11Å; L1424-F1427 HydrophobicContact CD2-CB 3.59Å; L1424-F1427 VanDerWaalsContact CD2-O 3.29Å; L1424-F1427 WeakPolarHBondContact CD2-O 3.49Å | ||
| 1425 | N | 45.4 | Very low | 55.8 | Low | 151 Ų | 151 | 77.5 Ų | 77.5 | 81% | 0.807 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | -12.2 | 172.3 | -87.3 | -6.9 | 0 | 0 | 0 | 114.3 | ||
| 1426 | N | 39 | Very low | 56 | Low | 153 Ų | 153 | 75 Ų | 75 | 82% | 0.818 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -131 | 12.4 | -176.3 | -76.4 | -12.2 | 0 | 0 | 0 | 118.8 | L1424 | L1424-N1426 PolarHBondContact O-N 3.11Š|
| 1427 | F | 35.4 | Very low | 56.4 | Low | 139 Ų | 139 | 72.5 Ų | 72.5 | 61% | 0.61 | 36% | 0.364 | S | S | * | . | trans | -138.2 | 124.2 | -176.8 | -103.9 | -91.4 | 0 | 0 | 0 | 117 | L1424 S1429 G1430 L1509 | L1424-F1427 HydrophobicContact CD2-CB 3.59Å; L1424-F1427 VanDerWaalsContact CD2-O 3.29Å; L1424-F1427 WeakPolarHBondContact CD2-O 3.49Å; F1427-S1429 PolarHBondContact O-N 2.99Å; F1427-G1430 PolarHBondContact O-N 3.18Å; F1427-L1509 HydrophobicContact CZ-CD2 4.39Å | ||
| 1428 | R | 44.2 | Very low | 57 | Low | 216 Ų | 216 | 72.4 Ų | 72.4 | 82% | 0.815 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -34.6 | 178 | -95.9 | -175.3 | -96.4 | -106.2 | 0.4 | 114.8 | G1430 G1431 | R1428-G1430 VanDerWaalsContact C-N 3.28Å; R1428-G1430 PolarHBondContact O-N 3.32Å; R1428-G1431 PolarHBondContact O-N 3.34Å |
| 1429 | S | 42.3 | Very low | 58 | Low | 97 Ų | 97 | 75.3 Ų | 75.3 | 68% | 0.678 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -68.1 | -22.9 | -178.4 | -71.4 | 0 | 0 | 0 | 0 | 114.1 | F1427 G1431 | F1427-S1429 PolarHBondContact O-N 2.99Å; S1429-G1431 PolarHBondContact O-N 3.27Å |
| 1430 | G | 50.8 | Low | 59.1 | Low | 6 Ų | 6 | 72.3 Ų | 72.3 | 6% | 0.062 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -72.9 | -18.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | F1427 R1428 R1433 I1434 | F1427-G1430 PolarHBondContact O-N 3.18Å; R1428-G1430 VanDerWaalsContact C-N 3.28Å; R1428-G1430 PolarHBondContact O-N 3.32Å; G1430-R1433 WeakPolarHBondContact O-CB 3.07Å; G1430-R1433 PolarHBondContact O-N 3.3Å; G1430-I1434 PolarHBondContact O-N 2.83Å |
| 1431 | G | 58.8 | Low | 60.4 | Low | 7 Ų | 7 | 71.7 Ų | 71.7 | 7% | 0.072 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -68.7 | -45 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | R1428 S1429 R1433 I1434 L1435 L1588 | R1428-G1431 PolarHBondContact O-N 3.34Å; S1429-G1431 PolarHBondContact O-N 3.27Å; G1431-R1433 PolarHBondContact O-N 3.44Å; G1431-I1434 PolarHBondContact O-N 2.78Å; G1431-L1435 PolarHBondContact O-N 3.22Å; G1431-L1435 VanDerWaalsContact O-N 3.16Å; G1431-L1588 WeakPolarHBondContact O-CD1 2.93Å |
| 1432 | A | 64.4 | Low | 61.8 | Low | 32 Ų | 32 | 71.4 Ų | 71.4 | 26% | 0.264 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -61.2 | -34.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112 | L1435 I1436 W1583 | A1432-L1435 PolarHBondContact O-N 3.39Å; A1432-I1436 WeakPolarHBondContact O-CB 3.2Å; A1432-I1436 WeakPolarHBondContact O-CD1 3.46Å; A1432-I1436 VanDerWaalsContact O-CG1 3.24Å; A1432-I1436 WeakPolarHBondContact O-CG1 3.42Å; A1432-I1436 PolarHBondContact O-N 3Å; A1432-W1583 HydrophobicContact CB-CH2 4.22Å; A1432-W1583 HydrophobicContact CB-CZ2 4.31Å |
| 1433 | R | 63.6 | Low | 63.2 | Low | 123 Ų | 123 | 70.1 Ų | 70.1 | 46% | 0.464 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -61 | -46.5 | 174.8 | -79.9 | -174.6 | 178.6 | -173.5 | -2 | 111.9 | V1364 V1366 G1430 G1431 I1436 G1437 | V1364-R1433 HydrophobicContact CG1-CB 4.43Å; V1364-R1433 HydrophobicContact CG1-CG 4.27Å; V1366-R1433 HydrophobicContact CG2-CB 4.44Å; V1366-R1433 HydrophobicContact CG2-CG 3.12Å; G1430-R1433 WeakPolarHBondContact O-CB 3.07Å; G1430-R1433 PolarHBondContact O-N 3.3Å; G1431-R1433 PolarHBondContact O-N 3.44Å; R1433-I1436 PolarHBondContact O-N 3.08Å; R1433-G1437 PolarHBondContact O-N 3.15Å |
| 1434 | I | 69.8 | Low | 64.9 | Low | 11 Ų | 11 | 60.6 Ų | 60.6 | 6% | 0.056 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -65.5 | -42.2 | -178.4 | -60.1 | 165.7 | 0 | 0 | 0 | 110.6 | A1420 G1430 G1431 G1437 L1438 A1590 | A1420-I1434 HydrophobicContact CB-CG1 4.25Å; G1430-I1434 PolarHBondContact O-N 2.83Å; G1431-I1434 PolarHBondContact O-N 2.78Å; I1434-G1437 PolarHBondContact O-N 3.41Å; I1434-L1438 HydrophobicContact CG2-CD1 3.92Å; I1434-L1438 HydrophobicContact CG2-CG 4.32Å; I1434-L1438 WeakPolarHBondContact O-CB 3.17Å; I1434-L1438 WeakPolarHBondContact O-CG 3.05Å; I1434-L1438 PolarHBondContact O-N 3.4Å; I1434-A1590 HydrophobicContact CB-CB 4.41Å; I1434-A1590 HydrophobicContact CD1-CB 4.33Å; I1434-A1590 HydrophobicContact CG2-CB 3.44Å; I1434-A1590 VanDerWaalsContact CG2-CB 3.44Å |
| 1435 | L | 72 | Confident | 67 | Low | 30 Ų | 30 | 58.1 Ų | 58.1 | 16% | 0.157 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.4 | -47.8 | 178.1 | -160.8 | 102.4 | 0 | 0 | 0 | 112 | G1431 A1432 G1437 L1438 Q1439 A1579 Q1580 W1583 | G1431-L1435 PolarHBondContact O-N 3.22Å; G1431-L1435 VanDerWaalsContact O-N 3.16Å; A1432-L1435 PolarHBondContact O-N 3.39Å; L1435-G1437 VanDerWaalsContact C-N 3.33Å; L1435-L1438 PolarHBondContact O-N 2.92Å; L1435-Q1439 WeakPolarHBondContact O-CB 3.26Å; L1435-Q1439 PolarHBondContact O-N 3.47Å; L1435-A1579 HydrophobicContact CD1-CB 4.19Å; L1435-Q1580 HydrophobicContact CD1-CG 3.9Å; L1435-W1583 HydrophobicContact CD1-CB 4.18Å; L1435-W1583 HydrophobicContact CD1-CG 4.43Å |
| 1436 | I | 72.9 | Confident | 68.9 | Low | 40 Ų | 40 | 52.1 Ų | 52.1 | 21% | 0.205 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.6 | -41.9 | 177.1 | -67.7 | 165.9 | 0 | 0 | 0 | 110.4 | V1364 A1432 R1433 Q1439 R1440 | V1364-I1436 HydrophobicContact CG1-CB 4.42Å; V1364-I1436 HydrophobicContact CG1-CG2 4.09Å; A1432-I1436 WeakPolarHBondContact O-CB 3.2Å; A1432-I1436 WeakPolarHBondContact O-CD1 3.46Å; A1432-I1436 VanDerWaalsContact O-CG1 3.24Å; A1432-I1436 WeakPolarHBondContact O-CG1 3.42Å; A1432-I1436 PolarHBondContact O-N 3Å; R1433-I1436 PolarHBondContact O-N 3.08Å; I1436-Q1439 PolarHBondContact O-N 3.4Å; I1436-R1440 WeakPolarHBondContact O-CG 3.43Å; I1436-R1440 PolarHBondContact O-N 3.16Å |
| 1437 | G | 76.7 | Confident | 71.2 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.9 | -50.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | R1433 I1434 L1435 R1440 Q1441 | R1433-G1437 PolarHBondContact O-N 3.15Å; I1434-G1437 PolarHBondContact O-N 3.41Å; L1435-G1437 VanDerWaalsContact C-N 3.33Å; G1437-R1440 PolarHBondContact O-N 3.18Å; G1437-Q1441 WeakPolarHBondContact O-CB 3.5Å; G1437-Q1441 PolarHBondContact O-N 3.21Å |
| 1438 | L | 80.4 | Confident | 73.7 | Confident | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64 | -40.5 | 177.1 | -75 | 171.2 | 0 | 0 | 0 | 112.4 | I1434 L1435 R1440 Q1441 A1442 T1572 R1575 L1576 A1579 | I1434-L1438 HydrophobicContact CG2-CD1 3.92Å; I1434-L1438 HydrophobicContact CG2-CG 4.32Å; I1434-L1438 WeakPolarHBondContact O-CB 3.17Å; I1434-L1438 WeakPolarHBondContact O-CG 3.05Å; I1434-L1438 PolarHBondContact O-N 3.4Å; L1435-L1438 PolarHBondContact O-N 2.92Å; L1438-R1440 VanDerWaalsContact C-N 3.33Å; L1438-R1440 PolarHBondContact O-N 3.38Å; L1438-Q1441 PolarHBondContact O-N 3.01Å; L1438-A1442 WeakPolarHBondContact O-CB 3.38Å; L1438-A1442 PolarHBondContact O-N 3.42Å; L1438-T1572 HydrophobicContact CD2-CG2 4.43Å; L1438-R1575 HydrophobicContact CD1-CB 4.35Å; L1438-R1575 HydrophobicContact CD2-CB 4.06Å; L1438-L1576 HydrophobicContact CB-CB 4.2Å; L1438-L1576 HydrophobicContact CB-CD1 3.86Å; L1438-A1579 HydrophobicContact CD1-CB 3.95Å |
| 1439 | Q | 83.1 | Confident | 75.6 | Confident | 108 Ų | 108 | 30.1 Ų | 30.1 | 51% | 0.505 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -62.3 | -43.4 | 177.7 | -175.3 | 177.1 | -1.7 | 0 | 0 | 111.2 | L1435 I1436 A1443 L1576 | L1435-Q1439 WeakPolarHBondContact O-CB 3.26Å; L1435-Q1439 PolarHBondContact O-N 3.47Å; I1436-Q1439 PolarHBondContact O-N 3.4Å; Q1439-A1443 PolarHBondContact O-N 2.92Å; Q1439-L1576 HydrophobicContact CB-CD1 4.01Å; Q1439-L1576 HydrophobicContact CB-CD2 4.23Å; Q1439-L1576 HydrophobicContact CG-CD2 4.45Å |
| 1440 | R | 81.9 | Confident | 77.8 | Confident | 31 Ų | 31 | 30.3 Ų | 30.3 | 12% | 0.117 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -70.1 | -38.4 | 175.7 | -72.7 | -172 | -170.1 | 156.3 | 10.2 | 112.6 | A1380 G1381 L1413 I1436 G1437 L1438 A1442 A1443 C1444 | A1380-R1440 PolarHBondContact O-NH2 2.96Å; G1381-R1440 VanDerWaalsContact C-NH1 3.33Å; G1381-R1440 PolarHBondContact O-NH1 3.02Å; G1381-R1440 PolarHBondContact O-NH2 3.09Å; L1413-R1440 HydrophobicContact CD1-CB 3.74Å; I1436-R1440 WeakPolarHBondContact O-CG 3.43Å; I1436-R1440 PolarHBondContact O-N 3.16Å; G1437-R1440 PolarHBondContact O-N 3.18Å; L1438-R1440 VanDerWaalsContact C-N 3.33Å; L1438-R1440 PolarHBondContact O-N 3.38Å; R1440-A1442 VanDerWaalsContact C-N 3.28Å; R1440-A1442 PolarHBondContact O-N 3.33Å; R1440-A1443 CarbonylContact O-C 3.43Å; R1440-A1443 PolarHBondContact O-N 3.35Å; R1440-A1443 VanDerWaalsContact O-N 3.14Å; R1440-C1444 WeakPolarHBondContact O-CB 3.35Å; R1440-C1444 PolarHBondContact O-N 3.27Å; R1440-C1444 PolarHBondContact O-SG 3.45Å |
| 1441 | Q | 84.1 | Confident | 79.5 | Confident | 4 Ų | 4 | 30.1 Ų | 30.1 | 2% | 0.019 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -59 | -45.3 | 176.7 | -171.9 | -163.6 | -21.7 | 0 | 0 | 110.1 | L1413 I1414 G1437 L1438 C1444 L1445 T1572 | L1413-Q1441 HydrophobicContact CB-CB 4.15Å; L1413-Q1441 HydrophobicContact CB-CG 4.39Å; L1413-Q1441 HydrophobicContact CD1-CB 4.29Å; I1414-Q1441 VanDerWaalsContact CD1-NE2 3.33Å; I1414-Q1441 HydrophobicContact CG1-CG 4.07Å; G1437-Q1441 WeakPolarHBondContact O-CB 3.5Å; G1437-Q1441 PolarHBondContact O-N 3.21Å; L1438-Q1441 PolarHBondContact O-N 3.01Å; Q1441-C1444 PolarHBondContact O-N 2.96Å; Q1441-L1445 HydrophobicContact CG-CD1 4.29Å; Q1441-L1445 WeakPolarHBondContact O-CB 3.36Å; Q1441-L1445 WeakPolarHBondContact O-CG 3.23Å; Q1441-L1445 PolarHBondContact O-N 2.96Å; Q1441-T1572 HydrophobicContact CB-CG2 3.83Å; Q1441-T1572 HydrophobicContact CG-CG2 3.71Å; Q1441-T1572 PolarHBondContact NE2-OG1 3.42Å |
| 1442 | A | 84.3 | Confident | 80.8 | Confident | 10 Ų | 10 | 29.8 Ų | 29.8 | 8% | 0.083 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62.1 | -43 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | L1438 R1440 A1446 Y1569 T1572 L1576 | L1438-A1442 WeakPolarHBondContact O-CB 3.38Å; L1438-A1442 PolarHBondContact O-N 3.42Å; R1440-A1442 VanDerWaalsContact C-N 3.28Å; R1440-A1442 PolarHBondContact O-N 3.33Å; A1442-A1446 WeakPolarHBondContact O-CB 3.41Å; A1442-A1446 PolarHBondContact O-N 3.43Å; A1442-Y1569 HydrophobicContact CB-CE2 4.16Å; A1442-Y1569 WeakPolarHBondContact O-CD2 3.26Å; A1442-Y1569 WeakPolarHBondContact O-CE2 3.13Å; A1442-T1572 HydrophobicContact CB-CG2 4.08Å; A1442-L1576 HydrophobicContact CB-CD2 4.41Å |
| 1443 | A | 85 | Confident | 81.9 | Confident | 52 Ų | 52 | 34.2 Ų | 34.2 | 43% | 0.43 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -63.8 | -42.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q1439 R1440 A1446 S1447 | Q1439-A1443 PolarHBondContact O-N 2.92Å; R1440-A1443 CarbonylContact O-C 3.43Å; R1440-A1443 PolarHBondContact O-N 3.35Å; R1440-A1443 VanDerWaalsContact O-N 3.14Å; A1443-A1446 PolarHBondContact O-N 2.86Å; A1443-S1447 WeakPolarHBondContact O-CB 3.44Å; A1443-S1447 PolarHBondContact O-N 2.91Å; A1443-S1447 PolarHBondContact O-OG 2.69Å; A1443-S1447 VanDerWaalsContact O-OG 3.07Å |
| 1444 | C | 86.2 | Confident | 82.9 | Confident | 9 Ų | 9 | 33.5 Ų | 33.5 | 6% | 0.061 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -66.7 | -43.3 | 178.8 | -65 | 0 | 0 | 0 | 0 | 111.6 | M1406 H1409 R1440 Q1441 S1447 A1448 | M1406-C1444 HydrophobicContact SD-CB 4.39Å; H1409-C1444 PolarHBondContact CD2-SG 3.14Å; R1440-C1444 WeakPolarHBondContact O-CB 3.35Å; R1440-C1444 PolarHBondContact O-N 3.27Å; R1440-C1444 PolarHBondContact O-SG 3.45Å; Q1441-C1444 PolarHBondContact O-N 2.96Å; C1444-S1447 PolarHBondContact O-N 3.32Å; C1444-A1448 WeakPolarHBondContact O-CB 3.39Å; C1444-A1448 PolarHBondContact O-N 3.19Å |
| 1445 | L | 85.6 | Confident | 83.7 | Confident | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.1 | -44 | 173.8 | -76.2 | 169.3 | 0 | 0 | 0 | 111.3 | F1407 Q1441 S1447 A1448 I1449 L1565 A1568 Y1569 T1572 | F1407-L1445 HydrophobicContact CD2-CD2 4.04Å; F1407-L1445 HydrophobicContact CE2-CD2 4.16Å; Q1441-L1445 HydrophobicContact CG-CD1 4.29Å; Q1441-L1445 WeakPolarHBondContact O-CB 3.36Å; Q1441-L1445 WeakPolarHBondContact O-CG 3.23Å; Q1441-L1445 PolarHBondContact O-N 2.96Å; L1445-S1447 PolarHBondContact O-N 3.27Å; L1445-A1448 PolarHBondContact O-N 3.49Å; L1445-I1449 WeakPolarHBondContact O-CB 3.42Å; L1445-I1449 WeakPolarHBondContact O-CD1 3.26Å; L1445-I1449 WeakPolarHBondContact O-CG1 3.44Å; L1445-I1449 PolarHBondContact O-N 3.27Å; L1445-L1565 HydrophobicContact CD2-CD2 4.12Å; L1445-A1568 HydrophobicContact CD1-CB 4.34Å; L1445-A1568 HydrophobicContact CD2-CB 4.45Å; L1445-Y1569 HydrophobicContact CB-CD2 4.06Å; L1445-T1572 HydrophobicContact CD1-CG2 4.46Å; L1445-T1572 WeakPolarHBondContact CD1-OG1 3.2Å |
| 1446 | A | 86.8 | Confident | 84 | Confident | 25 Ų | 25 | 36.4 Ų | 36.4 | 21% | 0.207 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.1 | -43.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | A1442 A1443 I1449 N1450 Y1569 | A1442-A1446 WeakPolarHBondContact O-CB 3.41Å; A1442-A1446 PolarHBondContact O-N 3.43Å; A1443-A1446 PolarHBondContact O-N 2.86Å; A1446-I1449 PolarHBondContact O-N 2.99Å; A1446-N1450 VanDerWaalsContact O-CB 3.31Å; A1446-N1450 WeakPolarHBondContact O-CB 3.44Å; A1446-N1450 PolarHBondContact O-N 3.13Å; A1446-N1450 PolarHBondContact O-ND2 3.08Å; A1446-Y1569 HydrophobicContact CB-CD2 4.34Å; A1446-Y1569 HydrophobicContact CB-CE2 3.93Å |
| 1447 | S | 86 | Confident | 84.2 | Confident | 37 Ų | 37 | 43 Ų | 43 | 26% | 0.259 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -60.6 | -46.7 | 174.4 | -65.9 | 0 | 0 | 0 | 0 | 111.6 | A1443 C1444 L1445 I1449 N1450 T1451 | A1443-S1447 WeakPolarHBondContact O-CB 3.44Å; A1443-S1447 PolarHBondContact O-N 2.91Å; A1443-S1447 PolarHBondContact O-OG 2.69Å; A1443-S1447 VanDerWaalsContact O-OG 3.07Å; C1444-S1447 PolarHBondContact O-N 3.32Å; L1445-S1447 PolarHBondContact O-N 3.27Å; S1447-I1449 PolarHBondContact O-N 3.27Å; S1447-N1450 PolarHBondContact O-N 2.84Å; S1447-T1451 WeakPolarHBondContact O-CG2 3.31Å; S1447-T1451 PolarHBondContact O-N 3.47Å; S1447-T1451 PolarHBondContact O-OG1 2.7Å; S1447-T1451 VanDerWaalsContact O-OG1 3.06Å |
| 1448 | A | 87.9 | Confident | 84.1 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.3 | -46.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | M1406 F1407 C1444 L1445 T1451 L1452 | M1406-A1448 HydrophobicContact CB-CB 4.13Å; F1407-A1448 HydrophobicContact CB-CB 4.47Å; C1444-A1448 WeakPolarHBondContact O-CB 3.39Å; C1444-A1448 PolarHBondContact O-N 3.19Å; L1445-A1448 PolarHBondContact O-N 3.49Å; A1448-T1451 WeakPolarHBondContact CA-OG1 3.46Å; A1448-T1451 PolarHBondContact O-N 3.26Å; A1448-T1451 PolarHBondContact O-OG1 2.89Å; A1448-L1452 PolarHBondContact O-N 3.06Å |
| 1449 | I | 85.9 | Confident | 84 | Confident | 8 Ų | 8 | 53.7 Ų | 53.7 | 4% | 0.041 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -58.6 | -49.7 | 175.4 | -71 | 162.7 | 0 | 0 | 0 | 110.3 | L1445 A1446 S1447 T1451 L1452 Y1453 L1562 L1565 L1566 Y1569 | L1445-I1449 WeakPolarHBondContact O-CB 3.42Å; L1445-I1449 WeakPolarHBondContact O-CD1 3.26Å; L1445-I1449 WeakPolarHBondContact O-CG1 3.44Å; L1445-I1449 PolarHBondContact O-N 3.27Å; A1446-I1449 PolarHBondContact O-N 2.99Å; S1447-I1449 PolarHBondContact O-N 3.27Å; I1449-T1451 VanDerWaalsContact C-N 3.32Å; I1449-T1451 PolarHBondContact O-N 2.8Å; I1449-L1452 PolarHBondContact O-N 2.79Å; I1449-Y1453 HydrophobicContact CG2-CD2 3.78Å; I1449-Y1453 HydrophobicContact CG2-CE2 3.43Å; I1449-Y1453 VanDerWaalsContact CG2-CE2 3.43Å; I1449-Y1453 WeakPolarHBondContact O-CD2 3.36Å; I1449-Y1453 PolarHBondContact O-N 3.2Å; I1449-L1562 HydrophobicContact CG2-CD1 4.15Å; I1449-L1565 HydrophobicContact CD1-CB 4.44Å; I1449-L1565 HydrophobicContact CG1-CB 3.93Å; I1449-L1566 HydrophobicContact CD1-CD2 4.12Å; I1449-L1566 HydrophobicContact CD1-CG 4.43Å; I1449-L1566 HydrophobicContact CG2-CD2 4.16Å; I1449-Y1569 HydrophobicContact CD1-CG 4.18Å |
| 1450 | N | 87.8 | Confident | 84 | Confident | 101 Ų | 101 | 50.1 Ų | 50.1 | 54% | 0.54 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -60.9 | -39.8 | 179.4 | -71.5 | -22.8 | 0 | 0 | 0 | 111.9 | A1446 S1447 Y1453 | A1446-N1450 VanDerWaalsContact O-CB 3.31Å; A1446-N1450 WeakPolarHBondContact O-CB 3.44Å; A1446-N1450 PolarHBondContact O-N 3.13Å; A1446-N1450 PolarHBondContact O-ND2 3.08Å; S1447-N1450 PolarHBondContact O-N 2.84Å; N1450-Y1453 PolarHBondContact O-N 3.48Å |
| 1451 | T | 87.2 | Confident | 84 | Confident | 2 Ų | 2 | 52.5 Ų | 52.5 | 1% | 0.012 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -69.7 | -36 | 175.4 | 48.7 | 0 | 0 | 0 | 0 | 113.9 | Y1390 I1394 A1402 A1403 S1447 A1448 I1449 Y1453 L1454 | Y1390-T1451 HydrophobicContact CE2-CG2 3.36Å; Y1390-T1451 VanDerWaalsContact OH-CG2 3.23Å; Y1390-T1451 WeakPolarHBondContact OH-CG2 3.42Å; I1394-T1451 HydrophobicContact CD1-CG2 3.64Å; A1402-T1451 HydrophobicContact CB-CG2 4.42Å; A1403-T1451 WeakPolarHBondContact CA-OG1 3.34Å; A1403-T1451 VanDerWaalsContact CB-OG1 3.27Å; A1403-T1451 WeakPolarHBondContact CB-OG1 3.35Å; S1447-T1451 WeakPolarHBondContact O-CG2 3.31Å; S1447-T1451 PolarHBondContact O-N 3.47Å; S1447-T1451 PolarHBondContact O-OG1 2.7Å; S1447-T1451 VanDerWaalsContact O-OG1 3.06Å; A1448-T1451 WeakPolarHBondContact CA-OG1 3.46Å; A1448-T1451 PolarHBondContact O-N 3.26Å; A1448-T1451 PolarHBondContact O-OG1 2.89Å; I1449-T1451 VanDerWaalsContact C-N 3.32Å; I1449-T1451 PolarHBondContact O-N 2.8Å; T1451-Y1453 VanDerWaalsContact C-N 3.29Å; T1451-Y1453 PolarHBondContact O-N 2.89Å; T1451-L1454 WeakPolarHBondContact O-CB 3.32Å; T1451-L1454 PolarHBondContact O-N 2.7Å; T1451-L1454 VanDerWaalsContact O-N 3.15Å |
| 1452 | L | 85.1 | Confident | 83.9 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -67.6 | -31.5 | 175 | -82.1 | 158.4 | 0 | 0 | 0 | 112.1 | A1403 A1448 I1449 L1454 V1455 Q1460 L1462 L1562 L1565 | A1403-L1452 HydrophobicContact CB-CD1 4.18Å; A1403-L1452 HydrophobicContact CB-CD2 4.2Å; A1403-L1452 HydrophobicContact CB-CG 3.69Å; A1448-L1452 PolarHBondContact O-N 3.06Å; I1449-L1452 PolarHBondContact O-N 2.79Å; L1452-L1454 PolarHBondContact O-N 3.11Å; L1452-V1455 WeakPolarHBondContact O-CB 3.39Å; L1452-V1455 PolarHBondContact O-N 3.33Å; L1452-Q1460 WeakPolarHBondContact O-CG 3.26Å; L1452-Q1460 PolarHBondContact O-NE2 2.85Å; L1452-L1462 HydrophobicContact CD1-CD1 3.89Å; L1452-L1462 HydrophobicContact CD1-CG 3.98Å; L1452-L1462 HydrophobicContact CD2-CD2 4.14Å; L1452-L1462 HydrophobicContact CD2-CG 4.19Å; L1452-L1562 HydrophobicContact CB-CD1 4.14Å; L1452-L1565 HydrophobicContact CD1-CD1 3.21Å |
| 1453 | Y | 87 | Confident | 83.4 | Confident | 125 Ų | 125 | 55 Ų | 55 | 49% | 0.49 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -63.1 | -25.2 | 172.6 | -83.6 | -64.1 | 0 | 0 | 0 | 113.5 | I1449 N1450 T1451 V1455 L1562 | I1449-Y1453 HydrophobicContact CG2-CD2 3.78Å; I1449-Y1453 HydrophobicContact CG2-CE2 3.43Å; I1449-Y1453 VanDerWaalsContact CG2-CE2 3.43Å; I1449-Y1453 WeakPolarHBondContact O-CD2 3.36Å; I1449-Y1453 PolarHBondContact O-N 3.2Å; N1450-Y1453 PolarHBondContact O-N 3.48Å; T1451-Y1453 VanDerWaalsContact C-N 3.29Å; T1451-Y1453 PolarHBondContact O-N 2.89Å; Y1453-V1455 VanDerWaalsContact C-N 3.31Å; Y1453-L1562 HydrophobicContact CD1-CD2 4.09Å; Y1453-L1562 HydrophobicContact CE1-CD2 3.56Å; Y1453-L1562 HydrophobicContact CE2-CD1 4.36Å; Y1453-L1562 HydrophobicContact CE2-CD2 4.32Å |
| 1454 | L | 85.6 | Confident | 82.4 | Confident | 109 Ų | 109 | 53.6 Ų | 53.6 | 57% | 0.571 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -77.1 | -18.3 | 173.7 | -59.2 | 175.1 | 0 | 0 | 0 | 112.6 | Y1399 T1451 L1452 | Y1399-L1454 HydrophobicContact CD1-CB 4.29Å; Y1399-L1454 HydrophobicContact CD1-CD1 3.9Å; Y1399-L1454 HydrophobicContact CD2-CB 4.35Å; Y1399-L1454 HydrophobicContact CE1-CD1 3.99Å; Y1399-L1454 HydrophobicContact CG-CB 4.13Å; T1451-L1454 WeakPolarHBondContact O-CB 3.32Å; T1451-L1454 PolarHBondContact O-N 2.7Å; T1451-L1454 VanDerWaalsContact O-N 3.15Å; L1452-L1454 PolarHBondContact O-N 3.11Å |
| 1455 | V | 85.3 | Confident | 80.8 | Confident | 13 Ų | 13 | 58.7 Ų | 58.7 | 8% | 0.079 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -78.7 | 139.6 | 175.2 | -178.6 | 0 | 0 | 0 | 0 | 109.1 | R1400 L1452 Y1453 N1459 Q1460 | R1400-V1455 HydrophobicContact CB-CG2 4.5Å; L1452-V1455 WeakPolarHBondContact O-CB 3.39Å; L1452-V1455 PolarHBondContact O-N 3.33Å; Y1453-V1455 VanDerWaalsContact C-N 3.31Å; V1455-N1459 HydrophobicContact CG1-CB 3.67Å; V1455-Q1460 HydrophobicContact CB-CG 4.42Å; V1455-Q1460 WeakPolarHBondContact O-CG 3.38Å; V1455-Q1460 PolarHBondContact O-NE2 2.93Å |
| 1456 | P | 79.1 | Confident | 79.1 | Confident | 89 Ų | 89 | 60.5 Ų | 60.5 | 58% | 0.578 | 32% | 0.322 | S | S | * | . | trans | -51.8 | 140.4 | 174.8 | -27.1 | 34.6 | 0 | 0 | 0 | 112.5 | D1458 N1459 | P1456-D1458 PolarHBondContact O-N 3.36Å; P1456-N1459 PolarHBondContact O-N 3.26Å | ||
| 1457 | K | 77.4 | Confident | 76.8 | Confident | 179 Ų | 179 | 64.9 Ų | 64.9 | 78% | 0.778 | 35% | 0.348 | S | S | * | . | G | 310 helix | trans | -48 | -39.3 | -169.4 | -70.1 | -174.9 | 178.8 | -179.6 | 0 | 114.6 | N1459 Q1460 | K1457-N1459 PolarHBondContact O-N 2.9Å; K1457-Q1460 PolarHBondContact O-N 3.03Å |
| 1458 | D | 74.6 | Confident | 74.6 | Confident | 146 Ų | 146 | 65.9 Ų | 65.9 | 78% | 0.781 | 35% | 0.352 | S | S | * | . | G | 310 helix | trans | -69.1 | -19 | -178 | -53.9 | -31.6 | 0 | 0 | 0 | 113.4 | P1456 | P1456-D1458 PolarHBondContact O-N 3.36Š|
| 1459 | N | 77.8 | Confident | 72.2 | Confident | 78 Ų | 78 | 71.3 Ų | 71.3 | 42% | 0.417 | 38% | 0.381 | S | S | . | . | G | 310 helix | trans | -110.9 | 12.7 | -175.6 | -69.1 | -27.1 | 0 | 0 | 0 | 113.4 | V1455 P1456 K1457 W1461 | V1455-N1459 HydrophobicContact CG1-CB 3.67Å; P1456-N1459 PolarHBondContact O-N 3.26Å; K1457-N1459 PolarHBondContact O-N 2.9Å; N1459-W1461 PolarHBondContact O-N 3.26Å |
| 1460 | Q | 83.6 | Confident | 69.7 | Low | 33 Ų | 33 | 79.3 Ų | 79.3 | 15% | 0.154 | 42% | 0.419 | C | S | . | . | trans | -79.1 | 58.2 | -177.9 | -63.3 | -176.3 | -9.8 | 0 | 0 | 112.6 | L1452 V1455 K1457 L1562 | L1452-Q1460 WeakPolarHBondContact O-CG 3.26Å; L1452-Q1460 PolarHBondContact O-NE2 2.85Å; V1455-Q1460 HydrophobicContact CB-CG 4.42Å; V1455-Q1460 WeakPolarHBondContact O-CG 3.38Å; V1455-Q1460 PolarHBondContact O-NE2 2.93Å; K1457-Q1460 PolarHBondContact O-N 3.03Å; Q1460-L1562 PolarHBondContact O-N 3.47Å | ||
| 1461 | W | 81 | Confident | 67.4 | Low | 82 Ų | 82 | 81.3 Ų | 81.3 | 31% | 0.311 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 142.2 | 179 | 56.5 | -88.1 | 0 | 0 | 0 | 112.1 | R1400 N1459 V1463 I1559 L1560 | R1400-W1461 PolarHBondContact NE-O 2.88Å; R1400-W1461 VanDerWaalsContact NH2-CE2 3.32Å; R1400-W1461 VanDerWaalsContact NH2-CZ2 3.28Å; R1400-W1461 PolarHBondContact NH2-O 3.43Å; N1459-W1461 PolarHBondContact O-N 3.26Å; W1461-V1463 HydrophobicContact CE3-CG2 3.82Å; W1461-V1463 HydrophobicContact CH2-CG2 4.45Å; W1461-V1463 HydrophobicContact CZ3-CG2 3.35Å; W1461-I1559 HydrophobicContact CB-CG2 3.74Å; W1461-I1559 HydrophobicContact CD2-CG2 4.13Å; W1461-I1559 HydrophobicContact CE3-CD1 4.44Å; W1461-I1559 HydrophobicContact CE3-CG1 4.28Å; W1461-I1559 HydrophobicContact CE3-CG2 3.74Å; W1461-I1559 HydrophobicContact CG-CG2 4.15Å; W1461-I1559 HydrophobicContact CZ3-CD1 4.44Å; W1461-I1559 HydrophobicContact CZ3-CG1 4.47Å; W1461-L1560 CarbonylContact C-O 3.02Å; W1461-L1560 VanDerWaalsContact CA-O 3.28Å; W1461-L1560 WeakPolarHBondContact CA-O 3.24Å |
| 1462 | L | 81.9 | Confident | 65 | Low | 4 Ų | 4 | 84.1 Ų | 84.1 | 2% | 0.021 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 150.4 | 176.7 | -65.9 | 179.6 | 0 | 0 | 0 | 110.5 | R1400 A1403 F1407 L1452 I1559 L1560 L1565 | R1400-L1462 HydrophobicContact CG-CD2 4.37Å; A1403-L1462 HydrophobicContact CB-CD1 4.34Å; A1403-L1462 HydrophobicContact CB-CD2 3.94Å; F1407-L1462 HydrophobicContact CB-CD1 3.81Å; F1407-L1462 HydrophobicContact CG-CD1 4.12Å; L1452-L1462 HydrophobicContact CD1-CD1 3.89Å; L1452-L1462 HydrophobicContact CD1-CG 3.98Å; L1452-L1462 HydrophobicContact CD2-CD2 4.14Å; L1452-L1462 HydrophobicContact CD2-CG 4.19Å; L1462-I1559 CarbonylContact O-C 3.56Å; L1462-I1559 WeakPolarHBondContact O-CA 3.43Å; L1462-L1560 PolarHBondContact N-O 2.64Å; L1462-L1560 PolarHBondContact O-N 3.34Å; L1462-L1565 HydrophobicContact CD1-CD1 4.1Å |
| 1463 | V | 75 | Confident | 62.4 | Low | 63 Ų | 63 | 87.1 Ų | 87.1 | 38% | 0.382 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 120.9 | 174.6 | -178.6 | 0 | 0 | 0 | 0 | 108.4 | W1461 K1557 | W1461-V1463 HydrophobicContact CE3-CG2 3.82Å; W1461-V1463 HydrophobicContact CH2-CG2 4.45Å; W1461-V1463 HydrophobicContact CZ3-CG2 3.35Å; V1463-K1557 HydrophobicContact CG1-CB 3.74Å; V1463-K1557 HydrophobicContact CG1-CD 4.04Å; V1463-K1557 HydrophobicContact CG1-CG 3.97Å |
| 1464 | C | 64.7 | Low | 59.6 | Low | 22 Ų | 22 | 87.4 Ų | 87.4 | 15% | 0.149 | 48% | 0.479 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 144.5 | 176.5 | -62.5 | 0 | 0 | 0 | 0 | 110.9 | F1407 K1557 R1558 L1560 | F1407-C1464 WeakPolarHBondContact CE1-SG 3.18Å; C1464-K1557 WeakPolarHBondContact O-CA 3.42Å; C1464-R1558 PolarHBondContact N-O 3.43Å; C1464-R1558 PolarHBondContact O-N 2.92Å; C1464-L1560 WeakPolarHBondContact SG-CD1 3.49Å |
| 1465 | I | 50.8 | Low | 56.8 | Low | 116 Ų | 116 | 87.1 Ų | 87.1 | 60% | 0.595 | 49% | 0.486 | S | S | * | . | trans | -121.1 | 97.1 | 177.1 | -56.2 | 171.2 | 0 | 0 | 0 | 107 | K1555 K1557 | I1465-K1555 HydrophobicContact CG2-CD 4.3Å; I1465-K1557 HydrophobicContact CG1-CG 4.33Å | ||
| 1466 | G | 50.7 | Low | 54 | Low | 38 Ų | 38 | 93 Ų | 93 | 39% | 0.392 | 52% | 0.522 | S | S | . | . | S | Bend | trans | 166.3 | 151 | 175 | 0 | 0 | 0 | 0 | 0 | 113 | V1468 | G1466-V1468 PolarHBondContact O-N 2.83Š|
| 1467 | P | 38.4 | Very low | 51.7 | Low | 117 Ų | 117 | 95.3 Ų | 95.3 | 76% | 0.76 | 53% | 0.529 | S | S | * | . | trans | -71.4 | 100 | 174.2 | 30.6 | -30.2 | 0 | 0 | 0 | 108.1 | Y1411 N1469 | Y1411-P1467 PolarHBondContact OH-O 3.26Å; P1467-N1469 PolarHBondContact O-N 3.42Å | ||
| 1468 | V | 39.3 | Very low | 49.3 | Very low | 58 Ų | 58 | 94.6 Ų | 94.6 | 35% | 0.352 | 53% | 0.534 | S | S | . | . | trans | -78.8 | 117.5 | 165.5 | -176 | 0 | 0 | 0 | 0 | 105.4 | Y1411 G1466 E1470 | Y1411-V1468 HydrophobicContact CE2-CG2 3.88Å; G1466-V1468 PolarHBondContact O-N 2.83Å; V1468-E1470 PolarHBondContact O-N 2.81Å | ||
| 1469 | N | 37.3 | Very low | 47 | Very low | 114 Ų | 114 | 95.4 Ų | 95.4 | 61% | 0.61 | 53% | 0.533 | S | S | * | . | trans | -40 | 124.5 | 175.7 | -72.6 | -15.6 | 0 | 0 | 0 | 110.3 | P1467 D1471 V1472 | P1467-N1469 PolarHBondContact O-N 3.42Å; N1469-D1471 PolarHBondContact O-N 3.46Å; N1469-V1472 PolarHBondContact O-N 3.47Å | ||
| 1470 | E | 35.4 | Very low | 44.5 | Very low | 177 Ų | 177 | 98.8 Ų | 98.8 | 83% | 0.827 | 55% | 0.551 | S | S | * | * | G | 310 helix | trans | -58.5 | -19.4 | -175.3 | -74.6 | -177.8 | 152.7 | 0 | 0 | 112.7 | V1468 V1472 V1473 | V1468-E1470 PolarHBondContact O-N 2.81Å; E1470-V1472 PolarHBondContact O-N 2.86Å; E1470-V1473 PolarHBondContact O-N 2.75Å |
| 1471 | D | 37.6 | Very low | 41.9 | Very low | 142 Ų | 142 | 105.1 Ų | 105.1 | 76% | 0.759 | 59% | 0.586 | S | S | * | * | G | 310 helix | trans | -63.5 | -9.1 | 179.8 | -56.5 | -24.2 | 0 | 0 | 0 | 115 | N1469 | N1469-D1471 PolarHBondContact O-N 3.46Š|
| 1472 | V | 37.5 | Very low | 39.4 | Very low | 62 Ų | 62 | 110.2 Ų | 110.2 | 38% | 0.376 | 61% | 0.613 | S | S | . | * | G | 310 helix | trans | -96.1 | -19.7 | 179.7 | -176.2 | 0 | 0 | 0 | 0 | 112.7 | N1469 E1470 | N1469-V1472 PolarHBondContact O-N 3.47Å; E1470-V1472 PolarHBondContact O-N 2.86Å |
| 1473 | V | 30.9 | Very low | 36.7 | Very low | 63 Ų | 63 | 118.1 Ų | 118.1 | 38% | 0.382 | 66% | 0.656 | S | S | . | * | S | Bend | trans | -153.9 | 98.3 | -174.2 | -157.9 | 0 | 0 | 0 | 0 | 112.6 | E1470 | E1470-V1473 PolarHBondContact O-N 2.75Š|
| 1474 | V | 27.7 | Very low | 34.3 | Very low | 130 Ų | 130 | 118.8 Ų | 118.8 | 79% | 0.788 | 68% | 0.676 | S | S | * | * | trans | 146.7 | 120.7 | 141.4 | 168.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1475 | S | 26.4 | Very low | 32.4 | Very low | 104 Ų | 104 | 125.1 Ų | 125.1 | 73% | 0.727 | 71% | 0.708 | S | S | * | * | trans | -146.2 | 99.3 | 145.1 | 55.7 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1476 | V | 28.2 | Very low | 31.2 | Very low | 136 Ų | 136 | 127.3 Ų | 127.3 | 82% | 0.824 | 72% | 0.721 | S | S | * | * | trans | -110.3 | 109.8 | 161.1 | 174.4 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 1477 | D | 29.4 | Very low | 29.8 | Very low | 137 Ų | 137 | 132.6 Ų | 132.6 | 73% | 0.733 | 74% | 0.737 | S | S | * | * | trans | -62.3 | 131.3 | -170 | -55.9 | -47 | 0 | 0 | 0 | 112.4 | ||||
| 1478 | N | 26.8 | Very low | 29.1 | Very low | 165 Ų | 165 | 133.4 Ų | 133.4 | 88% | 0.882 | 74% | 0.74 | S | S | * | * | trans | -96.5 | 112.9 | 152.7 | -74.5 | -40.1 | 0 | 0 | 0 | 106.4 | ||||
| 1479 | E | 26.1 | Very low | 28.4 | Very low | 163 Ų | 163 | 138.5 Ų | 138.5 | 76% | 0.762 | 76% | 0.76 | S | S | * | * | trans | -60.8 | 130.3 | 164.7 | -67.3 | 172.7 | 161.5 | 0 | 0 | 108.7 | ||||
| 1480 | D | 26.9 | Very low | 27.9 | Very low | 148 Ų | 148 | 139.7 Ų | 139.7 | 79% | 0.791 | 77% | 0.772 | S | S | * | * | trans | 153.6 | 133.4 | 143.1 | -74.6 | -24.3 | 0 | 0 | 0 | 109.2 | ||||
| 1481 | D | 29 | Very low | 27.3 | Very low | 166 Ų | 166 | 140.2 Ų | 140.2 | 89% | 0.888 | 77% | 0.774 | S | S | * | * | trans | 109.6 | 66.4 | 173.3 | -54.4 | -25.2 | 0 | 0 | 0 | 115.3 | ||||
| 1482 | E | 26.8 | Very low | 26.7 | Very low | 189 Ų | 189 | 138.2 Ų | 138.2 | 88% | 0.883 | 77% | 0.771 | S | S | * | * | trans | -68.7 | 120.8 | 150 | -70.3 | -178.7 | 157.1 | 0 | 0 | 109.2 | ||||
| 1483 | D | 25.6 | Very low | 26.2 | Very low | 171 Ų | 171 | 143.2 Ų | 143.2 | 91% | 0.914 | 80% | 0.796 | S | S | * | * | trans | 178.6 | 125.2 | 141.4 | -92.5 | -26.7 | 0 | 0 | 0 | 110.6 | ||||
| 1484 | G | 24.9 | Very low | 26 | Very low | 77 Ų | 77 | 147.9 Ų | 147.9 | 79% | 0.794 | 82% | 0.819 | S | S | * | * | trans | 126.2 | 92.7 | 150.8 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1485 | D | 25 | Very low | 26 | Very low | 155 Ų | 155 | 150.6 Ų | 150.6 | 83% | 0.829 | 83% | 0.825 | S | S | * | * | trans | -43.3 | 139.6 | 162.5 | -67.3 | -51.6 | 0 | 0 | 0 | 114.7 | ||||
| 1486 | N | 24.7 | Very low | 26 | Very low | 161 Ų | 161 | 152.3 Ų | 152.3 | 86% | 0.861 | 83% | 0.826 | S | S | * | * | -170.2 | 107.2 | 125.8 | -95.4 | -32.2 | 0 | 0 | 0 | 112.1 | |||||
| 1487 | M | 22.5 | Very low | 26.5 | Very low | 150 Ų | 150 | 151.4 Ų | 151.4 | 74% | 0.739 | 82% | 0.823 | S | S | * | * | trans | -55.8 | 131.6 | 161.9 | -73.2 | -100.1 | -73.2 | 0 | 0 | 111.5 | E1489 | M1487-E1489 HydrophobicContact CE-CG 4.07Š| ||
| 1488 | T | 24.1 | Very low | 26.6 | Very low | 133 Ų | 133 | 151.6 Ų | 151.6 | 82% | 0.816 | 82% | 0.824 | S | S | * | * | trans | -133.3 | 103.1 | 148.8 | 37.6 | 0 | 0 | 0 | 0 | 108.3 | T1490 | T1488-T1490 PolarHBondContact O-N 3.13Š| ||
| 1489 | E | 23.6 | Very low | 26.6 | Very low | 165 Ų | 165 | 151 Ų | 151 | 77% | 0.771 | 82% | 0.821 | S | S | * | * | trans | -58 | 126.4 | 167.6 | -66.2 | 171 | 158.3 | 0 | 0 | 108.8 | M1487 | M1487-E1489 HydrophobicContact CE-CG 4.07Š| ||
| 1490 | T | 26.3 | Very low | 26.7 | Very low | 140 Ų | 140 | 150.1 Ų | 150.1 | 86% | 0.859 | 82% | 0.821 | S | S | * | * | trans | -116.2 | 119.8 | 164.1 | 26.2 | 0 | 0 | 0 | 0 | 107.4 | T1488 | T1488-T1490 PolarHBondContact O-N 3.13Š| ||
| 1491 | E | 23.3 | Very low | 27 | Very low | 187 Ų | 187 | 153.6 Ų | 153.6 | 87% | 0.874 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 145.1 | -167.4 | -68.4 | 174.2 | 145.7 | 0 | 0 | 112.9 | ||
| 1492 | S | 24.3 | Very low | 27.2 | Very low | 101 Ų | 101 | 148.6 Ų | 148.6 | 71% | 0.706 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 120.1 | 172.4 | 49.4 | 0 | 0 | 0 | 0 | 113.4 | ||
| 1493 | D | 27.3 | Very low | 27.4 | Very low | 167 Ų | 167 | 148.2 Ų | 148.2 | 89% | 0.893 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 117.4 | 163.8 | -83.8 | -35.1 | 0 | 0 | 0 | 110.4 | M1495 | D1493-M1495 PolarHBondContact O-N 2.7Š|
| 1494 | N | 28 | Very low | 27.5 | Very low | 160 Ų | 160 | 144.7 Ų | 144.7 | 86% | 0.856 | 80% | 0.796 | S | S | * | * | trans | -68.9 | 106.6 | 176.1 | -72.7 | -50.1 | 0 | 0 | 0 | 110.4 | ||||
| 1495 | M | 26.4 | Very low | 27.7 | Very low | 187 Ų | 187 | 146.1 Ų | 146.1 | 92% | 0.921 | 79% | 0.785 | S | S | * | * | trans | -91.1 | 110.3 | 171.6 | -144.3 | 161.1 | -176 | 0 | 0 | 108.7 | D1493 | D1493-M1495 PolarHBondContact O-N 2.7Š| ||
| 1496 | D | 28 | Very low | 28.3 | Very low | 140 Ų | 140 | 143.2 Ų | 143.2 | 75% | 0.749 | 78% | 0.775 | S | S | * | * | trans | -68.6 | 130.7 | -178.1 | -161.1 | -7.4 | 0 | 0 | 0 | 110.6 | N1498 | D1496-N1498 PolarHBondContact O-N 3.04Š| ||
| 1497 | P | 37.1 | Very low | 28.8 | Very low | 117 Ų | 117 | 141.3 Ų | 141.3 | 76% | 0.76 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.4 | 15.9 | -162.3 | -7.5 | 26.9 | 0 | 0 | 0 | 116.5 | ||
| 1498 | N | 32.3 | Very low | 29.6 | Very low | 141 Ų | 141 | 141.6 Ų | 141.6 | 75% | 0.754 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.7 | 9.6 | -166.5 | -92.4 | -9.4 | 0 | 0 | 0 | 117.2 | D1496 D1500 | D1496-N1498 PolarHBondContact O-N 3.04Å; N1498-D1500 PolarHBondContact O-N 3.35Å |
| 1499 | D | 26.4 | Very low | 29.8 | Very low | 154 Ų | 154 | 141.7 Ų | 141.7 | 82% | 0.824 | 76% | 0.764 | S | S | * | * | trans | -85.4 | 89.6 | 170.6 | -85 | -19.2 | 0 | 0 | 0 | 111 | W1501 | D1499-W1501 VanDerWaalsContact O-CD1 3.26Å; D1499-W1501 PolarHBondContact O-N 3.35Å | ||
| 1500 | D | 29.1 | Very low | 30 | Very low | 143 Ų | 143 | 137.9 Ų | 137.9 | 77% | 0.765 | 76% | 0.76 | S | S | * | * | trans | -63.5 | 85.4 | 169.8 | -98.2 | -26.6 | 0 | 0 | 0 | 111 | N1498 A1502 | N1498-D1500 PolarHBondContact O-N 3.35Å; D1500-A1502 PolarHBondContact O-N 3.36Å; D1500-A1502 VanDerWaalsContact O-N 3.12Å | ||
| 1501 | W | 33.4 | Very low | 30.1 | Very low | 221 Ų | 221 | 139.3 Ų | 139.3 | 84% | 0.837 | 76% | 0.762 | S | S | * | * | G | 310 helix | trans | -71.7 | 5.4 | 178 | 51.9 | -83.8 | 0 | 0 | 0 | 114.6 | D1499 F1503 | D1499-W1501 VanDerWaalsContact O-CD1 3.26Å; D1499-W1501 PolarHBondContact O-N 3.35Å; W1501-F1503 VanDerWaalsContact C-N 3.3Å; W1501-F1503 PolarHBondContact O-N 2.8Å |
| 1502 | A | 33.5 | Very low | 30.2 | Very low | 62 Ų | 62 | 136.9 Ų | 136.9 | 51% | 0.512 | 76% | 0.755 | S | S | . | * | G | 310 helix | trans | -75.6 | -8.9 | -173.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | D1500 | D1500-A1502 PolarHBondContact O-N 3.36Å; D1500-A1502 VanDerWaalsContact O-N 3.12Å |
| 1503 | F | 28.9 | Very low | 30.4 | Very low | 181 Ų | 181 | 138.5 Ų | 138.5 | 79% | 0.794 | 76% | 0.756 | S | S | * | * | G | 310 helix | trans | -131.6 | 37.2 | -170.9 | -61.3 | -75.3 | 0 | 0 | 0 | 115.2 | W1501 N1505 | W1501-F1503 VanDerWaalsContact C-N 3.3Å; W1501-F1503 PolarHBondContact O-N 2.8Å; F1503-N1505 PolarHBondContact O-N 3.21Å |
| 1504 | A | 28.3 | Very low | 30.3 | Very low | 96 Ų | 96 | 137.2 Ų | 137.2 | 79% | 0.793 | 75% | 0.747 | S | S | * | * | trans | -63.7 | 119.1 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1505 | N | 30 | Very low | 30.3 | Very low | 107 Ų | 107 | 136.7 Ų | 136.7 | 57% | 0.572 | 74% | 0.743 | S | S | * | * | trans | -62.9 | 130.5 | -174.6 | -165.4 | 30.7 | 0 | 0 | 0 | 110.5 | F1503 D1507 | F1503-N1505 PolarHBondContact O-N 3.21Å; N1505-D1507 PolarHBondContact ND2-OD2 3.48Å; N1505-D1507 PolarHBondContact O-N 2.86Å | ||
| 1506 | P | 37.3 | Very low | 30.2 | Very low | 95 Ų | 95 | 134.6 Ų | 134.6 | 62% | 0.617 | 74% | 0.735 | S | S | * | * | G | 310 helix | trans | -66.7 | -0.2 | -173.1 | 25.1 | -35.6 | 0 | 0 | 0 | 116 | D1508 | P1506-D1508 VanDerWaalsContact C-N 3.31Å; P1506-D1508 PolarHBondContact O-N 3.18Å |
| 1507 | D | 35.1 | Very low | 30 | Very low | 121 Ų | 121 | 136.5 Ų | 136.5 | 65% | 0.647 | 74% | 0.74 | S | S | * | * | G | 310 helix | trans | -77.1 | -11.5 | -179.5 | -65.4 | -32.3 | 0 | 0 | 0 | 113.9 | N1505 L1509 | N1505-D1507 PolarHBondContact ND2-OD2 3.48Å; N1505-D1507 PolarHBondContact O-N 2.86Å; D1507-L1509 PolarHBondContact O-N 3.03Å; D1507-L1509 VanDerWaalsContact O-N 3.11Å |
| 1508 | D | 38.3 | Very low | 29.4 | Very low | 156 Ų | 156 | 139.8 Ų | 139.8 | 83% | 0.834 | 74% | 0.742 | S | S | * | * | G | 310 helix | trans | -75.1 | 8.6 | 173.9 | -80.3 | -18.3 | 0 | 0 | 0 | 113.5 | P1506 A1510 | P1506-D1508 VanDerWaalsContact C-N 3.31Å; P1506-D1508 PolarHBondContact O-N 3.18Å; D1508-A1510 PolarHBondContact O-N 2.73Å |
| 1509 | L | 30 | Very low | 29 | Very low | 135 Ų | 135 | 140.5 Ų | 140.5 | 71% | 0.707 | 74% | 0.741 | S | S | * | * | G | 310 helix | trans | -83 | 12.6 | 173.7 | -74 | 172.2 | 0 | 0 | 0 | 114.5 | F1427 D1507 | F1427-L1509 HydrophobicContact CZ-CD2 4.39Å; D1507-L1509 PolarHBondContact O-N 3.03Å; D1507-L1509 VanDerWaalsContact O-N 3.11Å |
| 1510 | A | 27.8 | Very low | 28.9 | Very low | 84 Ų | 84 | 139.2 Ų | 139.2 | 69% | 0.694 | 74% | 0.739 | S | S | * | * | trans | -104.4 | 66.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | D1508 | D1508-A1510 PolarHBondContact O-N 2.73Š| ||
| 1511 | L | 27.1 | Very low | 28.6 | Very low | 171 Ų | 171 | 136.1 Ų | 136.1 | 90% | 0.895 | 74% | 0.741 | S | S | * | * | trans | -120.4 | 68.2 | 161 | -153.7 | 76.2 | 0 | 0 | 0 | 109.4 | N1513 | L1511-N1513 PolarHBondContact O-N 3.06Š| ||
| 1512 | D | 25.8 | Very low | 28.1 | Very low | 136 Ų | 136 | 133.6 Ų | 133.6 | 73% | 0.727 | 74% | 0.744 | S | S | * | * | trans | -69.4 | 119.8 | 165.3 | -94.8 | -40.8 | 0 | 0 | 0 | 109.9 | I1514 | D1512-I1514 PolarHBondContact O-N 3.47Š| ||
| 1513 | N | 28.2 | Very low | 27.5 | Very low | 134 Ų | 134 | 139.4 Ų | 139.4 | 72% | 0.717 | 76% | 0.76 | S | S | * | * | trans | 35.9 | 82.5 | 134 | -59 | -45.5 | 0 | 0 | 0 | 117.2 | L1511 | L1511-N1513 PolarHBondContact O-N 3.06Š| ||
| 1514 | I | 25.9 | Very low | 27.3 | Very low | 140 Ų | 140 | 139.6 Ų | 139.6 | 72% | 0.718 | 76% | 0.763 | S | S | * | * | trans | -109 | 84.4 | 153.7 | -58 | 177.2 | 0 | 0 | 0 | 107.3 | D1512 D1516 | D1512-I1514 PolarHBondContact O-N 3.47Å; I1514-D1516 HydrophobicContact CG2-CB 4.28Å; I1514-D1516 PolarHBondContact O-N 2.98Å | ||
| 1515 | I | 26.7 | Very low | 27 | Very low | 150 Ų | 150 | 145.2 Ų | 145.2 | 77% | 0.769 | 76% | 0.764 | S | S | * | * | trans | -82.3 | 90.2 | 160.2 | -62.5 | 172.3 | 0 | 0 | 0 | 105 | E1517 | I1515-E1517 PolarHBondContact O-N 3.39Š| ||
| 1516 | D | 25.5 | Very low | 26.7 | Very low | 142 Ų | 142 | 150.3 Ų | 150.3 | 76% | 0.759 | 78% | 0.781 | S | S | * | * | trans | -81 | 103.3 | 170.7 | -94.7 | -23 | 0 | 0 | 0 | 109.2 | I1514 K1518 | I1514-D1516 HydrophobicContact CG2-CB 4.28Å; I1514-D1516 PolarHBondContact O-N 2.98Å; D1516-K1518 PolarHBondContact O-N 3.4Å | ||
| 1517 | E | 23.7 | Very low | 26 | Very low | 181 Ų | 181 | 153 Ų | 153 | 85% | 0.846 | 79% | 0.786 | S | S | * | * | trans | -56.1 | 119.1 | 159.8 | -72.7 | -177.4 | 140.1 | 0 | 0 | 110.4 | I1515 | I1515-E1517 PolarHBondContact O-N 3.39Š| ||
| 1518 | K | 23.5 | Very low | 25.4 | Very low | 186 Ų | 186 | 153.5 Ų | 153.5 | 81% | 0.809 | 79% | 0.788 | S | S | * | * | trans | -140.7 | 108.4 | 154.7 | -85.3 | -167.6 | 175.7 | 162.9 | 0 | 112.7 | D1516 | D1516-K1518 PolarHBondContact O-N 3.4Š| ||
| 1519 | H | 24.8 | Very low | 24.9 | Very low | 155 Ų | 155 | 153.3 Ų | 153.3 | 72% | 0.718 | 79% | 0.787 | S | S | * | * | trans | 70.7 | 99.5 | 133.5 | -69 | -61.2 | 0 | 0 | 0 | 120.8 | ||||
| 1520 | T | 23.5 | Very low | 24.5 | Very low | 128 Ų | 128 | 151.8 Ų | 151.8 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | 47.8 | 98.4 | 120.5 | 56.8 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 1521 | G | 22.5 | Very low | 24.2 | Very low | 78 Ų | 78 | 156 Ų | 156 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -76 | 130.7 | 160.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 1522 | D | 23.2 | Very low | 24 | Very low | 168 Ų | 168 | 154.3 Ų | 154.3 | 90% | 0.898 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -90.1 | 134.2 | 164.4 | -107.1 | -28.4 | 0 | 0 | 0 | 110 | ||
| 1523 | Q | 21.7 | Very low | 24 | Very low | 184 Ų | 184 | 156.1 Ų | 156.1 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 130.3 | -176.1 | -64.2 | 169 | -8.7 | 0 | 0 | 110.5 | ||
| 1524 | H | 24.9 | Very low | 23.7 | Very low | 185 Ų | 185 | 157.9 Ų | 157.9 | 86% | 0.856 | 80% | 0.798 | S | S | * | * | trans | -109.3 | 118.8 | 161 | -104.9 | -80.2 | 0 | 0 | 0 | 110.5 | ||||
| 1525 | R | 21.1 | Very low | 23.7 | Very low | 214 Ų | 214 | 160 Ų | 160 | 81% | 0.808 | 81% | 0.805 | S | S | * | * | trans | -45 | 140.2 | 172.7 | -69.3 | 166.9 | 167.4 | 179.2 | -7.3 | 114.1 | ||||
| 1526 | F | 24.4 | Very low | 23.8 | Very low | 213 Ų | 213 | 158.8 Ų | 158.8 | 93% | 0.934 | 81% | 0.806 | S | S | * | * | trans | -118.9 | 119.1 | 157 | -91.6 | -89.3 | 0 | 0 | 0 | 107.7 | ||||
| 1527 | E | 22.1 | Very low | 23.7 | Very low | 152 Ų | 152 | 159.7 Ų | 159.7 | 71% | 0.71 | 81% | 0.81 | S | S | * | * | trans | -129.6 | 130.2 | 174.2 | -87 | 179.1 | 172.9 | 0 | 0 | 110 | ||||
| 1528 | D | 23.4 | Very low | 23.7 | Very low | 132 Ų | 132 | 156.6 Ų | 156.6 | 71% | 0.706 | 81% | 0.805 | S | S | * | * | trans | 67.8 | 114.9 | 138.3 | -59.7 | -14.2 | 0 | 0 | 0 | 123.8 | ||||
| 1529 | N | 26.6 | Very low | 23.7 | Very low | 151 Ų | 151 | 153.5 Ų | 153.5 | 81% | 0.807 | 81% | 0.807 | S | S | * | * | 165.1 | 104.9 | 113.4 | -83.1 | -41.7 | 0 | 0 | 0 | 111.2 | |||||
| 1530 | S | 21.9 | Very low | 23.7 | Very low | 104 Ų | 104 | 150.7 Ų | 150.7 | 73% | 0.727 | 81% | 0.811 | S | S | * | * | 83.2 | 110.2 | 101.4 | 85.7 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 1531 | L | 21.6 | Very low | 23.6 | Very low | 171 Ų | 171 | 154 Ų | 154 | 90% | 0.895 | 81% | 0.814 | S | S | * | * | trans | -164.4 | 147.6 | 136.1 | -106.8 | 162.2 | 0 | 0 | 0 | 110.7 | ||||
| 1532 | D | 23.9 | Very low | 23.6 | Very low | 137 Ų | 137 | 159.9 Ų | 159.9 | 73% | 0.733 | 81% | 0.812 | S | S | * | * | trans | -86 | 166.1 | -155.7 | -61.9 | -70.5 | 0 | 0 | 0 | 117.5 | ||||
| 1533 | Q | 23.9 | Very low | 23.6 | Very low | 173 Ų | 173 | 160.2 Ų | 160.2 | 81% | 0.808 | 81% | 0.814 | S | S | * | * | trans | 67.4 | 110.5 | 144.9 | -81.5 | 173.9 | -3.2 | 0 | 0 | 122.6 | ||||
| 1534 | E | 22.9 | Very low | 23.6 | Very low | 171 Ų | 171 | 155.1 Ų | 155.1 | 80% | 0.799 | 80% | 0.803 | S | S | * | * | 59.7 | 129.8 | 127.8 | -66.4 | -172.4 | 173.1 | 0 | 0 | 123.7 | |||||
| 1535 | Q | 25.3 | Very low | 23.6 | Very low | 185 Ų | 185 | 153.3 Ų | 153.3 | 86% | 0.864 | 81% | 0.806 | S | S | * | * | trans | 83.6 | 138.9 | 158.4 | -71.6 | -169 | -9.5 | 0 | 0 | 121.1 | ||||
| 1536 | P | 28.6 | Very low | 23.7 | Very low | 124 Ų | 124 | 148.3 Ų | 148.3 | 81% | 0.805 | 79% | 0.794 | S | S | * | * | trans | -112.6 | 115.5 | -157.5 | 27.7 | -6 | 0 | 0 | 0 | 112.4 | ||||
| 1537 | I | 23.5 | Very low | 23.7 | Very low | 162 Ų | 162 | 145 Ų | 145 | 83% | 0.831 | 79% | 0.786 | S | S | * | * | trans | -120 | 145.4 | 158.4 | -66.5 | 175.7 | 0 | 0 | 0 | 106.5 | ||||
| 1538 | P | 25 | Very low | 24 | Very low | 116 Ų | 116 | 143 Ų | 143 | 75% | 0.753 | 79% | 0.786 | S | S | * | * | trans | -67.7 | 140.6 | -165.7 | -9 | 24.5 | 0 | 0 | 0 | 112.2 | A1540 | P1538-A1540 VanDerWaalsContact C-N 3.3Å; P1538-A1540 PolarHBondContact O-N 3.03Å | ||
| 1539 | S | 23 | Very low | 24.3 | Very low | 120 Ų | 120 | 140.5 Ų | 140.5 | 84% | 0.839 | 78% | 0.779 | S | S | * | * | trans | -66.4 | 79.3 | 179.4 | 44.3 | 0 | 0 | 0 | 0 | 112.5 | K1541 | S1539-K1541 PolarHBondContact O-N 3.34Š| ||
| 1540 | A | 24.5 | Very low | 24 | Very low | 97 Ų | 97 | 137.8 Ų | 137.8 | 80% | 0.802 | 77% | 0.772 | S | S | * | * | trans | -68.7 | 95.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | P1538 R1542 | P1538-A1540 VanDerWaalsContact C-N 3.3Å; P1538-A1540 PolarHBondContact O-N 3.03Å; A1540-R1542 PolarHBondContact O-N 3Å | ||
| 1541 | K | 22.6 | Very low | 24.3 | Very low | 198 Ų | 198 | 140.1 Ų | 140.1 | 86% | 0.861 | 77% | 0.771 | S | S | * | * | trans | -32.3 | 114 | 159.4 | -72.5 | 171.9 | 173.4 | 174.9 | 0 | 112.8 | S1539 | S1539-K1541 PolarHBondContact O-N 3.34Š| ||
| 1542 | R | 21.8 | Very low | 24.5 | Very low | 200 Ų | 200 | 139.7 Ų | 139.7 | 76% | 0.755 | 77% | 0.765 | S | S | * | * | trans | 153.9 | 120.6 | 138.1 | -91.1 | 171 | 176.9 | 164.5 | -2.5 | 106.3 | A1540 | A1540-R1542 PolarHBondContact O-N 3Š| ||
| 1543 | N | 23.5 | Very low | 24.6 | Very low | 175 Ų | 175 | 140.6 Ų | 140.6 | 94% | 0.936 | 77% | 0.769 | S | S | * | * | trans | -139 | 114.7 | 135.1 | -86.9 | -27.9 | 0 | 0 | 0 | 106.8 | ||||
| 1544 | A | 22.1 | Very low | 24.9 | Very low | 77 Ų | 77 | 134.4 Ų | 134.4 | 64% | 0.636 | 75% | 0.751 | S | S | * | * | trans | -37.8 | 146 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1545 | T | 24.5 | Very low | 25.5 | Very low | 148 Ų | 148 | 134.1 Ų | 134.1 | 91% | 0.908 | 75% | 0.747 | S | S | * | * | -145.6 | 111.9 | 97.5 | 24.7 | 0 | 0 | 0 | 0 | 107.8 | |||||
| 1546 | I | 22.7 | Very low | 26.2 | Very low | 108 Ų | 108 | 132.1 Ų | 132.1 | 55% | 0.554 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 136 | -179.4 | -77.7 | 169.3 | 0 | 0 | 0 | 106.9 | ||
| 1547 | D | 25.2 | Very low | 27.3 | Very low | 144 Ų | 144 | 132.9 Ų | 132.9 | 77% | 0.77 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -63.8 | 128.5 | 144.8 | -159.3 | 30.9 | 0 | 0 | 0 | 105.1 | S1549 | D1547-S1549 WeakPolarHBondContact O-CA 3.15Å; D1547-S1549 PolarHBondContact O-N 2.77Å |
| 1548 | P | 26.8 | Very low | 29.3 | Very low | 110 Ų | 110 | 130 Ų | 130 | 71% | 0.714 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -54.4 | 119.9 | 177.8 | 28.9 | -33.1 | 0 | 0 | 0 | 106.3 | ||
| 1549 | S | 29.6 | Very low | 31.7 | Very low | 80 Ų | 80 | 128.9 Ų | 128.9 | 56% | 0.559 | 70% | 0.698 | S | S | * | * | cis | -158.6 | 114.7 | 4 | 44.3 | 0 | 0 | 0 | 0 | 103.7 | D1547 Q1551 | D1547-S1549 WeakPolarHBondContact O-CA 3.15Å; D1547-S1549 PolarHBondContact O-N 2.77Å; S1549-Q1551 PolarHBondContact O-N 2.93Å | ||
| 1550 | S | 21.9 | Very low | 34.3 | Very low | 94 Ų | 94 | 124.4 Ų | 124.4 | 66% | 0.657 | 67% | 0.665 | S | S | * | * | trans | -65.4 | 83.5 | 160.1 | 54.4 | 0 | 0 | 0 | 0 | 106.3 | Q1552 | S1550-Q1552 PolarHBondContact O-N 3.03Å; S1550-Q1552 VanDerWaalsContact O-N 3.09Å | ||
| 1551 | Q | 27.1 | Very low | 37.2 | Very low | 153 Ų | 153 | 122.7 Ų | 122.7 | 72% | 0.715 | 64% | 0.644 | S | S | * | * | trans | -42.3 | 122.2 | 151.7 | -71 | -179.9 | -5.5 | 0 | 0 | 103.5 | S1549 L1553 | S1549-Q1551 PolarHBondContact O-N 2.93Å; Q1551-L1553 PolarHBondContact O-N 3.47Å | ||
| 1552 | Q | 25.1 | Very low | 39.9 | Very low | 162 Ų | 162 | 114.2 Ų | 114.2 | 76% | 0.757 | 61% | 0.609 | S | S | * | * | trans | -45.5 | 106.6 | 158.1 | -70.1 | 166.2 | -54.1 | 0 | 0 | 103.8 | S1550 G1554 | S1550-Q1552 PolarHBondContact O-N 3.03Å; S1550-Q1552 VanDerWaalsContact O-N 3.09Å; Q1552-G1554 PolarHBondContact O-N 3.28Å | ||
| 1553 | L | 25.9 | Very low | 42.7 | Very low | 156 Ų | 156 | 111.5 Ų | 111.5 | 82% | 0.817 | 60% | 0.602 | S | S | * | * | trans | -62.9 | 82.1 | 156.9 | -126.1 | 86.4 | 0 | 0 | 0 | 101.2 | Q1551 K1555 | Q1551-L1553 PolarHBondContact O-N 3.47Å; L1553-K1555 PolarHBondContact O-N 3.06Å | ||
| 1554 | G | 30.4 | Very low | 45.5 | Very low | 42 Ų | 42 | 105.9 Ų | 105.9 | 43% | 0.433 | 57% | 0.572 | S | S | . | * | trans | -44.7 | 112.1 | 155.4 | 0 | 0 | 0 | 0 | 0 | 101.3 | Q1552 D1556 | Q1552-G1554 PolarHBondContact O-N 3.28Å; G1554-D1556 WeakPolarHBondContact O-CA 3.1Å; G1554-D1556 PolarHBondContact O-N 3.31Å | ||
| 1555 | K | 37.3 | Very low | 48.5 | Very low | 165 Ų | 165 | 102.2 Ų | 102.2 | 72% | 0.717 | 54% | 0.542 | S | S | * | . | trans | -57.8 | 92.5 | 178.1 | -70.7 | 178.4 | 174.4 | -175.8 | 0 | 103.4 | I1465 L1553 K1557 | I1465-K1555 HydrophobicContact CG2-CD 4.3Å; L1553-K1555 PolarHBondContact O-N 3.06Å; K1555-K1557 VanDerWaalsContact C-N 3.32Å; K1555-K1557 PolarHBondContact O-N 2.88Å | ||
| 1556 | D | 39.8 | Very low | 51.3 | Low | 144 Ų | 144 | 97.9 Ų | 97.9 | 77% | 0.77 | 51% | 0.513 | S | S | * | . | trans | -68.5 | 104.5 | -164 | -94.6 | -17.1 | 0 | 0 | 0 | 104.7 | G1554 R1558 | G1554-D1556 WeakPolarHBondContact O-CA 3.1Å; G1554-D1556 PolarHBondContact O-N 3.31Å; D1556-R1558 PolarHBondContact O-N 2.88Å | ||
| 1557 | K | 51.3 | Low | 54.3 | Low | 139 Ų | 139 | 94.2 Ų | 94.2 | 60% | 0.604 | 49% | 0.494 | S | S | * | . | trans | -68.5 | 89.8 | -179.3 | -79.7 | 179.9 | -180 | -178.2 | 0 | 105.5 | V1463 C1464 I1465 K1555 I1559 | V1463-K1557 HydrophobicContact CG1-CB 3.74Å; V1463-K1557 HydrophobicContact CG1-CD 4.04Å; V1463-K1557 HydrophobicContact CG1-CG 3.97Å; C1464-K1557 WeakPolarHBondContact O-CA 3.42Å; I1465-K1557 HydrophobicContact CG1-CG 4.33Å; K1555-K1557 VanDerWaalsContact C-N 3.32Å; K1555-K1557 PolarHBondContact O-N 2.88Å; K1557-I1559 PolarHBondContact O-N 2.97Å | ||
| 1558 | R | 64.3 | Low | 57.1 | Low | 101 Ų | 101 | 88.7 Ų | 88.7 | 38% | 0.381 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 124 | 177.6 | -168.1 | 173.6 | 179.1 | 168.2 | 3.5 | 108.3 | C1464 D1556 | C1464-R1558 PolarHBondContact N-O 3.43Å; C1464-R1558 PolarHBondContact O-N 2.92Å; D1556-R1558 PolarHBondContact O-N 2.88Å |
| 1559 | I | 76.2 | Confident | 59.9 | Low | 93 Ų | 93 | 86.5 Ų | 86.5 | 48% | 0.477 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 116 | 173.5 | -62.9 | 173.7 | 0 | 0 | 0 | 107 | W1461 L1462 K1557 | W1461-I1559 HydrophobicContact CB-CG2 3.74Å; W1461-I1559 HydrophobicContact CD2-CG2 4.13Å; W1461-I1559 HydrophobicContact CE3-CD1 4.44Å; W1461-I1559 HydrophobicContact CE3-CG1 4.28Å; W1461-I1559 HydrophobicContact CE3-CG2 3.74Å; W1461-I1559 HydrophobicContact CG-CG2 4.15Å; W1461-I1559 HydrophobicContact CZ3-CD1 4.44Å; W1461-I1559 HydrophobicContact CZ3-CG1 4.47Å; L1462-I1559 CarbonylContact O-C 3.56Å; L1462-I1559 WeakPolarHBondContact O-CA 3.43Å; K1557-I1559 PolarHBondContact O-N 2.97Å |
| 1560 | L | 78.5 | Confident | 62.6 | Low | 26 Ų | 26 | 84.3 Ų | 84.3 | 14% | 0.136 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 125.5 | 172.7 | -64.1 | -178.3 | 0 | 0 | 0 | 109.1 | F1407 W1461 L1462 C1464 D1564 | F1407-L1560 HydrophobicContact CD1-CD1 4.41Å; F1407-L1560 HydrophobicContact CE1-CD1 3.54Å; F1407-L1560 HydrophobicContact CE2-CD1 3.86Å; F1407-L1560 HydrophobicContact CZ-CD1 3.18Å; W1461-L1560 CarbonylContact C-O 3.02Å; W1461-L1560 VanDerWaalsContact CA-O 3.28Å; W1461-L1560 WeakPolarHBondContact CA-O 3.24Å; L1462-L1560 PolarHBondContact N-O 2.64Å; L1462-L1560 PolarHBondContact O-N 3.34Å; C1464-L1560 WeakPolarHBondContact SG-CD1 3.49Å; L1560-D1564 HydrophobicContact CD2-CB 4.26Å |
| 1561 | T | 83.8 | Confident | 65.6 | Low | 61 Ų | 61 | 80.8 Ų | 80.8 | 37% | 0.374 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 163.9 | 173 | 69 | 0 | 0 | 0 | 0 | 110.5 | K1563 D1564 L1565 | T1561-K1563 PolarHBondContact O-N 3.4Å; T1561-K1563 PolarHBondContact OG1-N 3.5Å; T1561-D1564 WeakPolarHBondContact CB-OD2 3.14Å; T1561-D1564 PolarHBondContact N-OD2 3.49Å; T1561-D1564 WeakPolarHBondContact O-CB 3.39Å; T1561-D1564 PolarHBondContact O-N 2.67Å; T1561-D1564 VanDerWaalsContact O-N 3.07Å; T1561-D1564 VanDerWaalsContact OG1-CG 3.25Å; T1561-D1564 PolarHBondContact OG1-N 2.74Å; T1561-D1564 PolarHBondContact OG1-OD2 2.77Å; T1561-L1565 PolarHBondContact O-N 3.05Å |
| 1562 | L | 81 | Confident | 68.4 | Low | 21 Ų | 21 | 73.7 Ų | 73.7 | 11% | 0.11 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -55.2 | -32.7 | 172.4 | -176.4 | 64.2 | 0 | 0 | 0 | 113.1 | I1449 L1452 Y1453 Q1460 D1564 L1565 L1566 | I1449-L1562 HydrophobicContact CG2-CD1 4.15Å; L1452-L1562 HydrophobicContact CB-CD1 4.14Å; Y1453-L1562 HydrophobicContact CD1-CD2 4.09Å; Y1453-L1562 HydrophobicContact CE1-CD2 3.56Å; Y1453-L1562 HydrophobicContact CE2-CD1 4.36Å; Y1453-L1562 HydrophobicContact CE2-CD2 4.32Å; Q1460-L1562 PolarHBondContact O-N 3.47Å; L1562-D1564 VanDerWaalsContact C-N 3.35Å; L1562-L1565 PolarHBondContact O-N 3.38Å; L1562-L1566 HydrophobicContact CG-CD1 4.23Å; L1562-L1566 WeakPolarHBondContact O-CG 3.21Å; L1562-L1566 PolarHBondContact O-N 2.82Å |
| 1563 | K | 79.9 | Confident | 71.3 | Confident | 143 Ų | 143 | 69.1 Ų | 69.1 | 62% | 0.622 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -64.9 | -39.8 | 177 | -172 | -177.4 | 177.2 | -171.8 | 0 | 111.5 | T1561 L1565 L1566 N1567 | T1561-K1563 PolarHBondContact O-N 3.4Å; T1561-K1563 PolarHBondContact OG1-N 3.5Å; K1563-L1565 VanDerWaalsContact C-N 3.34Å; K1563-L1566 PolarHBondContact O-N 2.8Å; K1563-N1567 PolarHBondContact O-N 2.96Å |
| 1564 | D | 82.8 | Confident | 74.1 | Confident | 56 Ų | 56 | 61.7 Ų | 61.7 | 30% | 0.299 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -65.8 | -40.6 | 179.7 | -54.2 | -44.3 | 0 | 0 | 0 | 111 | L1560 T1561 L1562 N1567 A1568 | L1560-D1564 HydrophobicContact CD2-CB 4.26Å; T1561-D1564 WeakPolarHBondContact CB-OD2 3.14Å; T1561-D1564 PolarHBondContact N-OD2 3.49Å; T1561-D1564 WeakPolarHBondContact O-CB 3.39Å; T1561-D1564 PolarHBondContact O-N 2.67Å; T1561-D1564 VanDerWaalsContact O-N 3.07Å; T1561-D1564 VanDerWaalsContact OG1-CG 3.25Å; T1561-D1564 PolarHBondContact OG1-N 2.74Å; T1561-D1564 PolarHBondContact OG1-OD2 2.77Å; L1562-D1564 VanDerWaalsContact C-N 3.35Å; D1564-N1567 PolarHBondContact O-N 3.27Å; D1564-A1568 WeakPolarHBondContact O-CB 2.87Å; D1564-A1568 PolarHBondContact O-N 3.49Å |
| 1565 | L | 83.6 | Confident | 76.7 | Confident | 1 Ų | 1 | 60.4 Ų | 60.4 | 1% | 0.005 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65 | -40.9 | 174.7 | -73.1 | 155 | 0 | 0 | 0 | 112.5 | F1407 L1445 I1449 L1452 L1462 T1561 L1562 K1563 A1568 Y1569 | F1407-L1565 HydrophobicContact CD2-CD2 3.17Å; F1407-L1565 HydrophobicContact CE2-CD2 3.45Å; F1407-L1565 VanDerWaalsContact CE2-CD2 3.45Å; F1407-L1565 HydrophobicContact CG-CD2 4.12Å; L1445-L1565 HydrophobicContact CD2-CD2 4.12Å; I1449-L1565 HydrophobicContact CD1-CB 4.44Å; I1449-L1565 HydrophobicContact CG1-CB 3.93Å; L1452-L1565 HydrophobicContact CD1-CD1 3.21Å; L1462-L1565 HydrophobicContact CD1-CD1 4.1Å; T1561-L1565 PolarHBondContact O-N 3.05Å; L1562-L1565 PolarHBondContact O-N 3.38Å; K1563-L1565 VanDerWaalsContact C-N 3.34Å; L1565-A1568 PolarHBondContact O-N 2.97Å; L1565-Y1569 WeakPolarHBondContact O-CB 3.38Å; L1565-Y1569 PolarHBondContact O-N 3.41Å |
| 1566 | L | 84.8 | Confident | 79 | Confident | 56 Ų | 56 | 53.4 Ų | 53.4 | 29% | 0.293 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62.6 | -43.9 | 175.5 | -78.9 | 164.2 | 0 | 0 | 0 | 111.5 | I1449 L1562 K1563 Y1569 I1570 | I1449-L1566 HydrophobicContact CD1-CD2 4.12Å; I1449-L1566 HydrophobicContact CD1-CG 4.43Å; I1449-L1566 HydrophobicContact CG2-CD2 4.16Å; L1562-L1566 HydrophobicContact CG-CD1 4.23Å; L1562-L1566 WeakPolarHBondContact O-CG 3.21Å; L1562-L1566 PolarHBondContact O-N 2.82Å; K1563-L1566 PolarHBondContact O-N 2.8Å; L1566-Y1569 PolarHBondContact O-N 2.81Å; L1566-I1570 VanDerWaalsContact O-CG1 3.28Å; L1566-I1570 WeakPolarHBondContact O-CG1 3.4Å; L1566-I1570 PolarHBondContact O-N 3.39Å |
| 1567 | N | 84.4 | Confident | 81 | Confident | 32 Ų | 32 | 50.8 Ų | 50.8 | 17% | 0.171 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.1 | -45.4 | 176.2 | -77.3 | 6.5 | 0 | 0 | 0 | 111.3 | K1563 D1564 Y1569 I1570 L1571 S1617 Y1618 | K1563-N1567 PolarHBondContact O-N 2.96Å; D1564-N1567 PolarHBondContact O-N 3.27Å; N1567-Y1569 VanDerWaalsContact C-N 3.29Å; N1567-Y1569 PolarHBondContact O-N 2.93Å; N1567-I1570 PolarHBondContact O-N 2.93Å; N1567-L1571 PolarHBondContact O-N 3.39Å; N1567-S1617 PolarHBondContact ND2-O 3.41Å; N1567-Y1618 HydrophobicContact CB-CE2 4.37Å; N1567-Y1618 PolarHBondContact O-OH 3.33Å; N1567-Y1618 VanDerWaalsContact O-OH 3.13Å |
| 1568 | A | 83.8 | Confident | 82.5 | Confident | 28 Ų | 28 | 44.2 Ų | 44.2 | 23% | 0.231 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -58.8 | -40 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L1445 D1564 L1565 T1572 | L1445-A1568 HydrophobicContact CD1-CB 4.34Å; L1445-A1568 HydrophobicContact CD2-CB 4.45Å; D1564-A1568 WeakPolarHBondContact O-CB 2.87Å; D1564-A1568 PolarHBondContact O-N 3.49Å; L1565-A1568 PolarHBondContact O-N 2.97Å; A1568-T1572 WeakPolarHBondContact O-CB 3.34Å; A1568-T1572 PolarHBondContact O-N 3.02Å; A1568-T1572 PolarHBondContact O-OG1 3.44Å |
| 1569 | Y | 87.1 | Confident | 83.2 | Confident | 64 Ų | 64 | 39.4 Ų | 39.4 | 25% | 0.251 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -64.9 | -44.3 | 175.1 | 173.8 | -99.7 | 0 | 0 | 0 | 112.2 | A1442 L1445 A1446 I1449 L1565 L1566 N1567 L1571 T1572 R1573 | A1442-Y1569 HydrophobicContact CB-CE2 4.16Å; A1442-Y1569 WeakPolarHBondContact O-CD2 3.26Å; A1442-Y1569 WeakPolarHBondContact O-CE2 3.13Å; L1445-Y1569 HydrophobicContact CB-CD2 4.06Å; A1446-Y1569 HydrophobicContact CB-CD2 4.34Å; A1446-Y1569 HydrophobicContact CB-CE2 3.93Å; I1449-Y1569 HydrophobicContact CD1-CG 4.18Å; L1565-Y1569 WeakPolarHBondContact O-CB 3.38Å; L1565-Y1569 PolarHBondContact O-N 3.41Å; L1566-Y1569 PolarHBondContact O-N 2.81Å; N1567-Y1569 VanDerWaalsContact C-N 3.29Å; N1567-Y1569 PolarHBondContact O-N 2.93Å; Y1569-L1571 PolarHBondContact O-N 3.25Å; Y1569-T1572 PolarHBondContact O-N 2.87Å; Y1569-R1573 WeakPolarHBondContact O-CB 3.5Å; Y1569-R1573 PolarHBondContact O-N 2.93Å |
| 1570 | I | 85.1 | Confident | 83.4 | Confident | 33 Ų | 33 | 37.9 Ų | 37.9 | 17% | 0.169 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.4 | -47.6 | 177.4 | -68.7 | 163.8 | 0 | 0 | 0 | 110.2 | L1566 N1567 T1572 R1573 A1574 R1613 | L1566-I1570 VanDerWaalsContact O-CG1 3.28Å; L1566-I1570 WeakPolarHBondContact O-CG1 3.4Å; L1566-I1570 PolarHBondContact O-N 3.39Å; N1567-I1570 PolarHBondContact O-N 2.93Å; I1570-T1572 PolarHBondContact O-N 3.31Å; I1570-R1573 PolarHBondContact O-N 3.43Å; I1570-A1574 WeakPolarHBondContact O-CB 3.26Å; I1570-A1574 PolarHBondContact O-N 3.37Å; I1570-R1613 HydrophobicContact CG2-CG 4.33Å |
| 1571 | L | 85.2 | Confident | 83.1 | Confident | 20 Ų | 20 | 37 Ų | 37 | 11% | 0.105 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.6 | -44.8 | 176.7 | -179.1 | 61.1 | 0 | 0 | 0 | 112.2 | N1567 Y1569 A1574 R1575 P1595 V1598 L1614 Y1618 | N1567-L1571 PolarHBondContact O-N 3.39Å; Y1569-L1571 PolarHBondContact O-N 3.25Å; L1571-A1574 WeakPolarHBondContact O-CB 3.35Å; L1571-A1574 PolarHBondContact O-N 2.93Å; L1571-R1575 WeakPolarHBondContact O-CG 3.42Å; L1571-R1575 PolarHBondContact O-N 2.95Å; L1571-P1595 HydrophobicContact CD1-CG 4.41Å; L1571-P1595 HydrophobicContact CD2-CG 4.42Å; L1571-V1598 HydrophobicContact CD1-CB 4.43Å; L1571-V1598 HydrophobicContact CD1-CG2 3.94Å; L1571-L1614 HydrophobicContact CD1-CD1 4.03Å; L1571-L1614 HydrophobicContact CD1-CD2 4.44Å; L1571-Y1618 HydrophobicContact CB-CE2 3.91Å; L1571-Y1618 WeakPolarHBondContact CB-OH 3.46Å |
| 1572 | T | 85.5 | Confident | 82.6 | Confident | 5 Ų | 5 | 34.2 Ų | 34.2 | 3% | 0.031 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64.2 | -42.8 | 179.5 | -54.5 | 0 | 0 | 0 | 0 | 111.5 | L1438 Q1441 A1442 L1445 A1568 Y1569 I1570 R1575 L1576 | L1438-T1572 HydrophobicContact CD2-CG2 4.43Å; Q1441-T1572 HydrophobicContact CB-CG2 3.83Å; Q1441-T1572 HydrophobicContact CG-CG2 3.71Å; Q1441-T1572 PolarHBondContact NE2-OG1 3.42Å; A1442-T1572 HydrophobicContact CB-CG2 4.08Å; L1445-T1572 HydrophobicContact CD1-CG2 4.46Å; L1445-T1572 WeakPolarHBondContact CD1-OG1 3.2Å; A1568-T1572 WeakPolarHBondContact O-CB 3.34Å; A1568-T1572 PolarHBondContact O-N 3.02Å; A1568-T1572 PolarHBondContact O-OG1 3.44Å; Y1569-T1572 PolarHBondContact O-N 2.87Å; I1570-T1572 PolarHBondContact O-N 3.31Å; T1572-R1575 PolarHBondContact O-N 3.27Å; T1572-L1576 WeakPolarHBondContact O-CB 3.26Å; T1572-L1576 PolarHBondContact O-N 2.78Å |
| 1573 | R | 86.2 | Confident | 81.9 | Confident | 65 Ų | 65 | 38.1 Ų | 38.1 | 25% | 0.245 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.9 | -42.7 | 176.2 | 173.8 | -179 | 160.9 | 151.6 | 3 | 111.3 | Y1569 I1570 L1576 R1577 E1610 R1613 | Y1569-R1573 WeakPolarHBondContact O-CB 3.5Å; Y1569-R1573 PolarHBondContact O-N 2.93Å; I1570-R1573 PolarHBondContact O-N 3.43Å; R1573-L1576 PolarHBondContact O-N 3.32Å; R1573-R1577 WeakPolarHBondContact O-CB 3.4Å; R1573-R1577 WeakPolarHBondContact O-CG 3.16Å; R1573-R1577 PolarHBondContact O-N 3.27Å; R1573-E1610 IonicContact CZ-OE1 2.96Å; R1573-E1610 VanDerWaalsContact CZ-OE1 3.22Å; R1573-E1610 IonicContact NE-OE1 3.97Å; R1573-E1610 PolarHBondContact NE-OE1 2.93Å; R1573-E1610 IonicContact NE-OE2 3.76Å; R1573-E1610 IonicContact NH2-OE1 2.82Å; R1573-E1610 PolarHBondContact NH2-OE1 3.17Å; R1573-R1613 VanDerWaalsContact CZ-NH1 3.28Å |
| 1574 | A | 84.5 | Confident | 81.2 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.1 | -46.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | I1570 L1571 L1576 R1577 L1578 V1598 L1602 L1614 | I1570-A1574 WeakPolarHBondContact O-CB 3.26Å; I1570-A1574 PolarHBondContact O-N 3.37Å; L1571-A1574 WeakPolarHBondContact O-CB 3.35Å; L1571-A1574 PolarHBondContact O-N 2.93Å; A1574-L1576 PolarHBondContact O-N 2.8Å; A1574-R1577 PolarHBondContact O-N 3.02Å; A1574-L1578 WeakPolarHBondContact O-CB 3.27Å; A1574-L1578 PolarHBondContact O-N 2.98Å; A1574-V1598 HydrophobicContact CB-CG1 3.91Å; A1574-L1602 HydrophobicContact CB-CD1 4.08Å; A1574-L1614 HydrophobicContact CB-CD1 3.56Å |
| 1575 | R | 84.9 | Confident | 80 | Confident | 15 Ų | 15 | 35.7 Ų | 35.7 | 6% | 0.057 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.2 | -42.4 | 174 | -71.2 | 176.7 | 73.5 | -160.1 | 2.4 | 112.3 | L1438 L1571 T1572 L1578 A1579 G1591 V1598 | L1438-R1575 HydrophobicContact CD1-CB 4.35Å; L1438-R1575 HydrophobicContact CD2-CB 4.06Å; L1571-R1575 WeakPolarHBondContact O-CG 3.42Å; L1571-R1575 PolarHBondContact O-N 2.95Å; T1572-R1575 PolarHBondContact O-N 3.27Å; R1575-L1578 PolarHBondContact O-N 3.29Å; R1575-A1579 VanDerWaalsContact O-CB 3.28Å; R1575-A1579 WeakPolarHBondContact O-CB 3.43Å; R1575-A1579 PolarHBondContact O-N 3.18Å; R1575-G1591 PolarHBondContact NH2-O 3.48Å; R1575-V1598 HydrophobicContact CG-CG1 4.28Å; R1575-V1598 HydrophobicContact CG-CG2 3.68Å |
| 1576 | L | 85.4 | Confident | 78.6 | Confident | 19 Ų | 19 | 38.5 Ų | 38.5 | 10% | 0.099 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.8 | -45.3 | 176.2 | 177.9 | 63.3 | 0 | 0 | 0 | 111.6 | L1438 Q1439 A1442 T1572 R1573 A1574 A1579 Q1580 | L1438-L1576 HydrophobicContact CB-CB 4.2Å; L1438-L1576 HydrophobicContact CB-CD1 3.86Å; Q1439-L1576 HydrophobicContact CB-CD1 4.01Å; Q1439-L1576 HydrophobicContact CB-CD2 4.23Å; Q1439-L1576 HydrophobicContact CG-CD2 4.45Å; A1442-L1576 HydrophobicContact CB-CD2 4.41Å; T1572-L1576 WeakPolarHBondContact O-CB 3.26Å; T1572-L1576 PolarHBondContact O-N 2.78Å; R1573-L1576 PolarHBondContact O-N 3.32Å; A1574-L1576 PolarHBondContact O-N 2.8Å; L1576-A1579 PolarHBondContact O-N 3.28Å; L1576-Q1580 HydrophobicContact CD1-CG 4.21Å; L1576-Q1580 HydrophobicContact CG-CG 4.43Å; L1576-Q1580 WeakPolarHBondContact O-CB 3.31Å; L1576-Q1580 VanDerWaalsContact O-CG 3.27Å; L1576-Q1580 WeakPolarHBondContact O-CG 3.43Å; L1576-Q1580 PolarHBondContact O-N 3.44Å |
| 1577 | R | 83.4 | Confident | 77.2 | Confident | 88 Ų | 88 | 39.5 Ų | 39.5 | 33% | 0.332 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -62.5 | -43 | 178.1 | -77.9 | -69 | -169.1 | 172 | 0.2 | 111.8 | R1573 A1574 Q1580 A1581 L1607 E1610 | R1573-R1577 WeakPolarHBondContact O-CB 3.4Å; R1573-R1577 WeakPolarHBondContact O-CG 3.16Å; R1573-R1577 PolarHBondContact O-N 3.27Å; A1574-R1577 PolarHBondContact O-N 3.02Å; R1577-Q1580 PolarHBondContact O-N 3.26Å; R1577-A1581 PolarHBondContact O-N 3.48Å; R1577-L1607 HydrophobicContact CB-CD1 4.2Å; R1577-E1610 HydrophobicContact CG-CG 4.34Å |
| 1578 | L | 82.2 | Confident | 75.7 | Confident | 2 Ų | 2 | 40.4 Ų | 40.4 | 1% | 0.01 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.1 | -49.5 | 173.3 | -179 | 61.1 | 0 | 0 | 0 | 111.6 | A1574 R1575 Q1580 A1581 C1582 F1593 G1601 L1602 V1605 | A1574-L1578 WeakPolarHBondContact O-CB 3.27Å; A1574-L1578 PolarHBondContact O-N 2.98Å; R1575-L1578 PolarHBondContact O-N 3.29Å; L1578-Q1580 PolarHBondContact O-N 2.73Å; L1578-A1581 PolarHBondContact O-N 2.73Å; L1578-C1582 WeakPolarHBondContact O-CB 3.46Å; L1578-C1582 PolarHBondContact O-N 2.74Å; L1578-C1582 PolarHBondContact O-SG 2.87Å; L1578-F1593 HydrophobicContact CD2-CE2 4.42Å; L1578-G1601 WeakPolarHBondContact CD1-O 3.47Å; L1578-L1602 HydrophobicContact CB-CD2 3.91Å; L1578-L1602 HydrophobicContact CD1-CD2 4.45Å; L1578-V1605 HydrophobicContact CD1-CG2 3.93Å |
| 1579 | A | 78.8 | Confident | 74.4 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.5 | -39.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L1435 L1438 R1575 L1576 W1583 L1588 A1590 | L1435-A1579 HydrophobicContact CD1-CB 4.19Å; L1438-A1579 HydrophobicContact CD1-CB 3.95Å; R1575-A1579 VanDerWaalsContact O-CB 3.28Å; R1575-A1579 WeakPolarHBondContact O-CB 3.43Å; R1575-A1579 PolarHBondContact O-N 3.18Å; L1576-A1579 PolarHBondContact O-N 3.28Å; A1579-W1583 WeakPolarHBondContact O-CB 3.33Å; A1579-W1583 PolarHBondContact O-N 2.99Å; A1579-L1588 HydrophobicContact CB-CD2 3.89Å; A1579-A1590 HydrophobicContact CB-CB 4.44Å |
| 1580 | Q | 80 | Confident | 72.7 | Confident | 60 Ų | 60 | 41.7 Ų | 41.7 | 28% | 0.28 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -61.9 | -49.3 | 175.7 | -78.1 | 173.6 | -19.9 | 0 | 0 | 111.5 | L1435 L1576 R1577 L1578 W1583 E1584 | L1435-Q1580 HydrophobicContact CD1-CG 3.9Å; L1576-Q1580 HydrophobicContact CD1-CG 4.21Å; L1576-Q1580 HydrophobicContact CG-CG 4.43Å; L1576-Q1580 WeakPolarHBondContact O-CB 3.31Å; L1576-Q1580 VanDerWaalsContact O-CG 3.27Å; L1576-Q1580 WeakPolarHBondContact O-CG 3.43Å; L1576-Q1580 PolarHBondContact O-N 3.44Å; R1577-Q1580 PolarHBondContact O-N 3.26Å; L1578-Q1580 PolarHBondContact O-N 2.73Å; Q1580-W1583 PolarHBondContact O-N 3.4Å; Q1580-E1584 PolarHBondContact O-N 3.42Å |
| 1581 | A | 73.3 | Confident | 71.3 | Confident | 8 Ų | 8 | 41.1 Ų | 41.1 | 7% | 0.066 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -67.3 | -39.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | R1577 L1578 Q1585 V1605 L1607 | R1577-A1581 PolarHBondContact O-N 3.48Å; L1578-A1581 PolarHBondContact O-N 2.73Å; A1581-Q1585 PolarHBondContact O-NE2 3.19Å; A1581-V1605 HydrophobicContact CB-CG1 3.38Å; A1581-L1607 HydrophobicContact CB-CD1 4.06Å |
| 1582 | C | 71.7 | Confident | 69.9 | Low | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.014 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -72.3 | -33.8 | 176.6 | -58.4 | 0 | 0 | 0 | 0 | 112.2 | L1578 E1584 Q1585 G1586 M1587 | L1578-C1582 WeakPolarHBondContact O-CB 3.46Å; L1578-C1582 PolarHBondContact O-N 2.74Å; L1578-C1582 PolarHBondContact O-SG 2.87Å; C1582-E1584 VanDerWaalsContact C-N 3.34Å; C1582-E1584 PolarHBondContact O-N 3.14Å; C1582-Q1585 WeakPolarHBondContact O-CB 3.2Å; C1582-Q1585 PolarHBondContact O-N 3.21Å; C1582-Q1585 VanDerWaalsContact O-N 3.09Å; C1582-G1586 PolarHBondContact O-N 3.16Å; C1582-M1587 CarbonylContact C-O 3.56Å; C1582-M1587 WeakPolarHBondContact CB-O 3.32Å; C1582-M1587 CarbonylContact O-C 3.59Å; C1582-M1587 PolarHBondContact O-N 3.42Å |
| 1583 | W | 67.9 | Low | 68.9 | Low | 103 Ų | 103 | 46.3 Ų | 46.3 | 39% | 0.39 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -64 | -37.6 | 177.6 | 178.1 | -100.9 | 0 | 0 | 0 | 112.5 | A1432 L1435 A1579 Q1580 Q1585 G1586 L1588 | A1432-W1583 HydrophobicContact CB-CH2 4.22Å; A1432-W1583 HydrophobicContact CB-CZ2 4.31Å; L1435-W1583 HydrophobicContact CD1-CB 4.18Å; L1435-W1583 HydrophobicContact CD1-CG 4.43Å; A1579-W1583 WeakPolarHBondContact O-CB 3.33Å; A1579-W1583 PolarHBondContact O-N 2.99Å; Q1580-W1583 PolarHBondContact O-N 3.4Å; W1583-Q1585 PolarHBondContact O-N 3.07Å; W1583-G1586 PolarHBondContact O-N 3.03Å; W1583-L1588 HydrophobicContact CB-CG 4.44Å; W1583-L1588 HydrophobicContact CD2-CD1 4.11Å; W1583-L1588 HydrophobicContact CE3-CD1 3.09Å; W1583-L1588 HydrophobicContact CE3-CG 3.61Å; W1583-L1588 HydrophobicContact CZ3-CD1 3.35Å; W1583-L1588 HydrophobicContact CZ3-CG 4.26Å |
| 1584 | E | 63.9 | Low | 68.3 | Low | 132 Ų | 132 | 46.1 Ų | 46.1 | 62% | 0.617 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -59 | -25.5 | 174.1 | -71.7 | -176.8 | 178.1 | 0 | 0 | 112.3 | Q1580 C1582 H1696 | Q1580-E1584 PolarHBondContact O-N 3.42Å; C1582-E1584 VanDerWaalsContact C-N 3.34Å; C1582-E1584 PolarHBondContact O-N 3.14Å; E1584-H1696 IonicContact OE2-CE1 2.76Å |
| 1585 | Q | 57.3 | Low | 68.1 | Low | 17 Ų | 17 | 47 Ų | 47 | 8% | 0.079 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | 2.5 | 177.6 | -64 | 161.3 | 18.4 | 0 | 0 | 114.7 | A1581 C1582 W1583 M1587 G1686 N1689 D1690 | A1581-Q1585 PolarHBondContact O-NE2 3.19Å; C1582-Q1585 WeakPolarHBondContact O-CB 3.2Å; C1582-Q1585 PolarHBondContact O-N 3.21Å; C1582-Q1585 VanDerWaalsContact O-N 3.09Å; W1583-Q1585 PolarHBondContact O-N 3.07Å; Q1585-M1587 VanDerWaalsContact C-N 3.31Å; Q1585-M1587 PolarHBondContact O-N 2.9Å; Q1585-G1686 PolarHBondContact NE2-O 3.4Å; Q1585-G1686 PolarHBondContact OE1-O 3.23Å; Q1585-N1689 HydrophobicContact CB-CB 4.19Å; Q1585-N1689 WeakPolarHBondContact O-CB 3.3Å; Q1585-D1690 VanDerWaalsContact CG-CG 3.46Å; Q1585-D1690 WeakPolarHBondContact CG-OD1 3.43Å; Q1585-D1690 VanDerWaalsContact CG-OD2 3.31Å; Q1585-D1690 WeakPolarHBondContact CG-OD2 3.38Å; Q1585-D1690 PolarHBondContact NE2-OD2 3.06Å |
| 1586 | G | 55.6 | Low | 67.8 | Low | 60 Ų | 60 | 49.1 Ų | 49.1 | 62% | 0.619 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.5 | 8.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | C1582 W1583 | C1582-G1586 PolarHBondContact O-N 3.16Å; W1583-G1586 PolarHBondContact O-N 3.03Å |
| 1587 | M | 54.9 | Low | 67.6 | Low | 77 Ų | 77 | 52.2 Ų | 52.2 | 38% | 0.379 | 27% | 0.271 | S | S | . | . | trans | -120.4 | 121.9 | 175.7 | -79.9 | -175.2 | 67.6 | 0 | 0 | 110.6 | C1582 Q1585 N1689 | C1582-M1587 CarbonylContact C-O 3.56Å; C1582-M1587 WeakPolarHBondContact CB-O 3.32Å; C1582-M1587 CarbonylContact O-C 3.59Å; C1582-M1587 PolarHBondContact O-N 3.42Å; Q1585-M1587 VanDerWaalsContact C-N 3.31Å; Q1585-M1587 PolarHBondContact O-N 2.9Å; M1587-N1689 PolarHBondContact SD-ND2 2.92Å; M1587-N1689 VanDerWaalsContact SD-ND2 3.36Å | ||
| 1588 | L | 53.8 | Low | 67.6 | Low | 50 Ų | 50 | 48 Ų | 48 | 26% | 0.262 | 26% | 0.255 | S | S | . | . | trans | -96.5 | 103.6 | 173.5 | -105.3 | 164 | 0 | 0 | 0 | 112.1 | G1431 A1579 W1583 A1590 | G1431-L1588 WeakPolarHBondContact O-CD1 2.93Å; A1579-L1588 HydrophobicContact CB-CD2 3.89Å; W1583-L1588 HydrophobicContact CB-CG 4.44Å; W1583-L1588 HydrophobicContact CD2-CD1 4.11Å; W1583-L1588 HydrophobicContact CE3-CD1 3.09Å; W1583-L1588 HydrophobicContact CE3-CG 3.61Å; W1583-L1588 HydrophobicContact CZ3-CD1 3.35Å; W1583-L1588 HydrophobicContact CZ3-CG 4.26Å; L1588-A1590 HydrophobicContact CD2-CB 3.83Å; L1588-A1590 PolarHBondContact O-N 3.16Å | ||
| 1589 | R | 54.8 | Low | 67.8 | Low | 111 Ų | 111 | 48.1 Ų | 48.1 | 42% | 0.419 | 26% | 0.255 | S | S | . | . | trans | -89.4 | 90.2 | 162.8 | -64.4 | -169.1 | -174.2 | -159.1 | 2.8 | 108.6 | F1593 | R1589-F1593 HydrophobicContact CB-CZ 4.37Š| ||
| 1590 | A | 52.2 | Low | 68 | Low | 9 Ų | 9 | 53.5 Ų | 53.5 | 7% | 0.074 | 28% | 0.276 | C | S | . | . | trans | -136.6 | 42.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | A1421 I1434 A1579 L1588 | A1421-A1590 WeakPolarHBondContact CB-O 3.34Å; I1434-A1590 HydrophobicContact CB-CB 4.41Å; I1434-A1590 HydrophobicContact CD1-CB 4.33Å; I1434-A1590 HydrophobicContact CG2-CB 3.44Å; I1434-A1590 VanDerWaalsContact CG2-CB 3.44Å; A1579-A1590 HydrophobicContact CB-CB 4.44Å; L1588-A1590 HydrophobicContact CD2-CB 3.83Å; L1588-A1590 PolarHBondContact O-N 3.16Å | ||
| 1591 | G | 55.9 | Low | 68.2 | Low | 21 Ų | 21 | 51.2 Ų | 51.2 | 22% | 0.216 | 27% | 0.268 | C | S | . | . | trans | -61 | 175.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | R1575 F1593 | R1575-G1591 PolarHBondContact NH2-O 3.48Å; G1591-F1593 VanDerWaalsContact C-N 3.28Å; G1591-F1593 VanDerWaalsContact N-CZ 3.25Å; G1591-F1593 WeakPolarHBondContact O-CD2 3.19Å; G1591-F1593 PolarHBondContact O-N 2.95Å | ||
| 1592 | V | 56.4 | Low | 68.8 | Low | 79 Ų | 79 | 50.8 Ų | 50.8 | 48% | 0.479 | 27% | 0.265 | S | S | . | . | trans | -71 | 89.5 | 162.2 | -174.9 | 0 | 0 | 0 | 0 | 106.6 | M1418 | M1418-V1592 HydrophobicContact CB-CG2 3.76Å; M1418-V1592 HydrophobicContact CE-CG1 3.85Å; M1418-V1592 HydrophobicContact CG-CG1 4.39Å; M1418-V1592 HydrophobicContact CG-CG2 3.79Å; M1418-V1592 HydrophobicContact SD-CG1 3.97Å; M1418-V1592 HydrophobicContact SD-CG2 4.26Å | ||
| 1593 | F | 62.9 | Low | 69.5 | Low | 54 Ų | 54 | 51.2 Ų | 51.2 | 24% | 0.237 | 27% | 0.267 | C | S | . | . | trans | -96.9 | 128.4 | -176.6 | -63.1 | -55.9 | 0 | 0 | 0 | 110.9 | L1578 R1589 G1591 E1597 V1598 | L1578-F1593 HydrophobicContact CD2-CE2 4.42Å; R1589-F1593 HydrophobicContact CB-CZ 4.37Å; G1591-F1593 VanDerWaalsContact C-N 3.28Å; G1591-F1593 VanDerWaalsContact N-CZ 3.25Å; G1591-F1593 WeakPolarHBondContact O-CD2 3.19Å; G1591-F1593 PolarHBondContact O-N 2.95Å; F1593-E1597 VanDerWaalsContact CA-OE2 3.24Å; F1593-E1597 WeakPolarHBondContact CA-OE2 3.23Å; F1593-E1597 HydrophobicContact CB-CB 3.9Å; F1593-E1597 HydrophobicContact CD1-CB 3.82Å; F1593-E1597 HydrophobicContact CG-CB 4.24Å; F1593-V1598 HydrophobicContact CB-CG2 3.37Å; F1593-V1598 HydrophobicContact CD2-CG2 4.43Å; F1593-V1598 HydrophobicContact CG-CG2 4.29Å | ||
| 1594 | T | 75.4 | Confident | 70.3 | Confident | 62 Ų | 62 | 47.3 Ų | 47.3 | 38% | 0.38 | 26% | 0.255 | S | S | . | . | trans | -60.5 | 154.6 | 162.1 | 61 | 0 | 0 | 0 | 0 | 109.4 | D1596 E1597 V1598 | T1594-D1596 PolarHBondContact O-N 2.98Å; T1594-E1597 PolarHBondContact N-OE2 3.43Å; T1594-E1597 PolarHBondContact O-N 3.23Å; T1594-E1597 WeakPolarHBondContact OG1-CG 3.43Å; T1594-E1597 PolarHBondContact OG1-N 2.74Å; T1594-V1598 PolarHBondContact O-N 3.31Å | ||
| 1595 | P | 78.8 | Confident | 71.4 | Confident | 19 Ų | 19 | 41 Ų | 41 | 12% | 0.123 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -44.5 | -39.5 | 174.2 | -33.4 | 38.8 | 0 | 0 | 0 | 113.4 | L1571 V1598 V1599 L1614 Y1618 L1620 | L1571-P1595 HydrophobicContact CD1-CG 4.41Å; L1571-P1595 HydrophobicContact CD2-CG 4.42Å; P1595-V1598 PolarHBondContact O-N 3.38Å; P1595-V1599 WeakPolarHBondContact O-CG2 3.38Å; P1595-V1599 PolarHBondContact O-N 3.32Å; P1595-V1599 VanDerWaalsContact O-N 3.08Å; P1595-L1614 HydrophobicContact CB-CD2 3.62Å; P1595-Y1618 HydrophobicContact CB-CD1 4.28Å; P1595-Y1618 HydrophobicContact CB-CD2 4.41Å; P1595-Y1618 HydrophobicContact CB-CG 4.11Å; P1595-Y1618 HydrophobicContact CG-CD1 3.85Å; P1595-Y1618 HydrophobicContact CG-CE1 3.97Å; P1595-Y1618 HydrophobicContact CG-CG 4.18Å; P1595-L1620 HydrophobicContact CB-CD1 3.85Å; P1595-L1620 HydrophobicContact CB-CD2 4.35Å |
| 1596 | D | 78.4 | Confident | 72.8 | Confident | 59 Ų | 59 | 40.2 Ų | 40.2 | 32% | 0.316 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -70 | -39.8 | 179.2 | -173.9 | 49 | 0 | 0 | 0 | 113.3 | T1594 V1599 R1600 | T1594-D1596 PolarHBondContact O-N 2.98Å; D1596-V1599 PolarHBondContact O-N 3.4Å; D1596-R1600 PolarHBondContact O-N 3.23Å; D1596-R1600 VanDerWaalsContact O-N 3.11Å; D1596-R1600 PolarHBondContact O-NH1 2.95Å; D1596-R1600 IonicContact OD1-CZ 2.83Å; D1596-R1600 IonicContact OD1-NH1 3.51Å; D1596-R1600 IonicContact OD1-NH2 2.82Å; D1596-R1600 IonicContact OD2-CZ 3.41Å; D1596-R1600 IonicContact OD2-NH1 3.95Å; D1596-R1600 PolarHBondContact OD2-NH1 2.92Å; D1596-R1600 IonicContact OD2-NH2 3.13Å; D1596-R1600 PolarHBondContact OD2-NH2 3.12Å |
| 1597 | E | 80.9 | Confident | 74.4 | Confident | 84 Ų | 84 | 37.8 Ų | 37.8 | 39% | 0.393 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -67.8 | -36.7 | 172.2 | -72.7 | 169.5 | 169.6 | 0 | 0 | 112.8 | F1593 T1594 V1599 R1600 G1601 | F1593-E1597 VanDerWaalsContact CA-OE2 3.24Å; F1593-E1597 WeakPolarHBondContact CA-OE2 3.23Å; F1593-E1597 HydrophobicContact CB-CB 3.9Å; F1593-E1597 HydrophobicContact CD1-CB 3.82Å; F1593-E1597 HydrophobicContact CG-CB 4.24Å; T1594-E1597 PolarHBondContact N-OE2 3.43Å; T1594-E1597 PolarHBondContact O-N 3.23Å; T1594-E1597 WeakPolarHBondContact OG1-CG 3.43Å; T1594-E1597 PolarHBondContact OG1-N 2.74Å; E1597-V1599 VanDerWaalsContact C-N 3.32Å; E1597-V1599 PolarHBondContact O-N 3.12Å; E1597-R1600 PolarHBondContact O-N 3.36Å; E1597-G1601 PolarHBondContact O-N 3.06Å |
| 1598 | V | 84.1 | Confident | 76 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.4 | -42.3 | 173.9 | -179.4 | 0 | 0 | 0 | 0 | 110.1 | L1571 A1574 R1575 F1593 T1594 P1595 G1601 L1602 L1614 | L1571-V1598 HydrophobicContact CD1-CB 4.43Å; L1571-V1598 HydrophobicContact CD1-CG2 3.94Å; A1574-V1598 HydrophobicContact CB-CG1 3.91Å; R1575-V1598 HydrophobicContact CG-CG1 4.28Å; R1575-V1598 HydrophobicContact CG-CG2 3.68Å; F1593-V1598 HydrophobicContact CB-CG2 3.37Å; F1593-V1598 HydrophobicContact CD2-CG2 4.43Å; F1593-V1598 HydrophobicContact CG-CG2 4.29Å; T1594-V1598 PolarHBondContact O-N 3.31Å; P1595-V1598 PolarHBondContact O-N 3.38Å; V1598-G1601 PolarHBondContact O-N 3.03Å; V1598-L1602 HydrophobicContact CG1-CD1 3.96Å; V1598-L1602 HydrophobicContact CG1-CG 4.19Å; V1598-L1602 VanDerWaalsContact O-CG 3.28Å; V1598-L1602 WeakPolarHBondContact O-CG 3.03Å; V1598-L1602 PolarHBondContact O-N 2.73Å; V1598-L1614 HydrophobicContact CB-CD1 3.93Å; V1598-L1614 HydrophobicContact CG1-CD1 3.6Å |
| 1599 | V | 86 | Confident | 77.6 | Confident | 3 Ų | 3 | 32.1 Ų | 32.1 | 2% | 0.018 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -58.8 | -48.8 | 175.4 | 170 | 0 | 0 | 0 | 0 | 110.6 | P1595 D1596 E1597 G1601 L1602 L1603 A1611 L1614 L1620 L1624 I1625 | P1595-V1599 WeakPolarHBondContact O-CG2 3.38Å; P1595-V1599 PolarHBondContact O-N 3.32Å; P1595-V1599 VanDerWaalsContact O-N 3.08Å; D1596-V1599 PolarHBondContact O-N 3.4Å; E1597-V1599 VanDerWaalsContact C-N 3.32Å; E1597-V1599 PolarHBondContact O-N 3.12Å; V1599-G1601 VanDerWaalsContact C-N 3.3Å; V1599-G1601 PolarHBondContact O-N 2.94Å; V1599-L1602 PolarHBondContact O-N 2.93Å; V1599-L1603 HydrophobicContact CG1-CD1 3.91Å; V1599-L1603 HydrophobicContact CG1-CG 4.4Å; V1599-L1603 VanDerWaalsContact O-CG 3.23Å; V1599-L1603 WeakPolarHBondContact O-CG 3.31Å; V1599-L1603 PolarHBondContact O-N 3.42Å; V1599-A1611 HydrophobicContact CG1-CB 4.36Å; V1599-L1614 HydrophobicContact CG2-CB 4.09Å; V1599-L1614 HydrophobicContact CG2-CD1 4.35Å; V1599-L1614 HydrophobicContact CG2-CD2 4.08Å; V1599-L1614 HydrophobicContact CG2-CG 4.4Å; V1599-L1620 HydrophobicContact CG2-CD1 3.94Å; V1599-L1624 HydrophobicContact CG1-CD2 4.45Å; V1599-I1625 HydrophobicContact CG1-CG1 4.28Å |
| 1600 | R | 84.2 | Confident | 79.2 | Confident | 114 Ų | 114 | 27 Ų | 27 | 43% | 0.43 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -58 | -42.8 | 176 | -68.1 | -172.8 | -168.7 | 84.2 | 3 | 112.5 | D1596 E1597 L1603 S1604 L1624 | D1596-R1600 PolarHBondContact O-N 3.23Å; D1596-R1600 VanDerWaalsContact O-N 3.11Å; D1596-R1600 PolarHBondContact O-NH1 2.95Å; D1596-R1600 IonicContact OD1-CZ 2.83Å; D1596-R1600 IonicContact OD1-NH1 3.51Å; D1596-R1600 IonicContact OD1-NH2 2.82Å; D1596-R1600 IonicContact OD2-CZ 3.41Å; D1596-R1600 IonicContact OD2-NH1 3.95Å; D1596-R1600 PolarHBondContact OD2-NH1 2.92Å; D1596-R1600 IonicContact OD2-NH2 3.13Å; D1596-R1600 PolarHBondContact OD2-NH2 3.12Å; E1597-R1600 PolarHBondContact O-N 3.36Å; R1600-L1603 PolarHBondContact O-N 3.38Å; R1600-S1604 PolarHBondContact O-N 3.24Å; R1600-L1624 HydrophobicContact CG-CD1 3.91Å; R1600-L1624 HydrophobicContact CG-CD2 4.07Å |
| 1601 | G | 83 | Confident | 80.9 | Confident | 11 Ų | 11 | 26.5 Ų | 26.5 | 11% | 0.113 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -59.5 | -49.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L1578 E1597 V1598 V1599 L1603 S1604 | L1578-G1601 WeakPolarHBondContact CD1-O 3.47Å; E1597-G1601 PolarHBondContact O-N 3.06Å; V1598-G1601 PolarHBondContact O-N 3.03Å; V1599-G1601 VanDerWaalsContact C-N 3.3Å; V1599-G1601 PolarHBondContact O-N 2.94Å; G1601-L1603 VanDerWaalsContact C-N 3.32Å; G1601-L1603 PolarHBondContact O-N 2.82Å; G1601-S1604 WeakPolarHBondContact O-CB 3.38Å; G1601-S1604 PolarHBondContact O-N 3.5Å; G1601-S1604 VanDerWaalsContact O-N 3.13Å; G1601-S1604 PolarHBondContact O-OG 2.86Å |
| 1602 | L | 87 | Confident | 82.5 | Confident | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -60.5 | -39.9 | -179.9 | -71.8 | 170.6 | 0 | 0 | 0 | 112.6 | A1574 L1578 V1598 V1599 S1604 V1605 A1606 L1607 E1610 A1611 L1614 | A1574-L1602 HydrophobicContact CB-CD1 4.08Å; L1578-L1602 HydrophobicContact CB-CD2 3.91Å; L1578-L1602 HydrophobicContact CD1-CD2 4.45Å; V1598-L1602 HydrophobicContact CG1-CD1 3.96Å; V1598-L1602 HydrophobicContact CG1-CG 4.19Å; V1598-L1602 VanDerWaalsContact O-CG 3.28Å; V1598-L1602 WeakPolarHBondContact O-CG 3.03Å; V1598-L1602 PolarHBondContact O-N 2.73Å; V1599-L1602 PolarHBondContact O-N 2.93Å; L1602-S1604 VanDerWaalsContact C-N 3.29Å; L1602-S1604 PolarHBondContact O-N 2.84Å; L1602-V1605 CarbonylContact O-C 3.59Å; L1602-V1605 PolarHBondContact O-N 2.91Å; L1602-A1606 PolarHBondContact O-N 3.5Å; L1602-L1607 HydrophobicContact CB-CB 4.25Å; L1602-L1607 HydrophobicContact CD2-CB 3.74Å; L1602-L1607 HydrophobicContact CD2-CD1 3.73Å; L1602-L1607 HydrophobicContact CD2-CG 4.42Å; L1602-L1607 PolarHBondContact O-N 3.37Å; L1602-E1610 HydrophobicContact CD1-CB 4.02Å; L1602-E1610 HydrophobicContact CD2-CB 4.39Å; L1602-A1611 HydrophobicContact CB-CB 4.16Å; L1602-A1611 HydrophobicContact CD1-CB 4.21Å; L1602-L1614 HydrophobicContact CD1-CD1 4.4Å |
| 1603 | L | 86.9 | Confident | 83.9 | Confident | 10 Ų | 10 | 24 Ų | 24 | 5% | 0.052 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -67.5 | -30.7 | 178.4 | -62.8 | 172 | 0 | 0 | 0 | 112.2 | V1599 R1600 G1601 V1605 A1606 Y1608 A1611 L1624 I1625 | V1599-L1603 HydrophobicContact CG1-CD1 3.91Å; V1599-L1603 HydrophobicContact CG1-CG 4.4Å; V1599-L1603 VanDerWaalsContact O-CG 3.23Å; V1599-L1603 WeakPolarHBondContact O-CG 3.31Å; V1599-L1603 PolarHBondContact O-N 3.42Å; R1600-L1603 PolarHBondContact O-N 3.38Å; G1601-L1603 VanDerWaalsContact C-N 3.32Å; G1601-L1603 PolarHBondContact O-N 2.82Å; L1603-V1605 PolarHBondContact O-N 2.92Å; L1603-A1606 PolarHBondContact O-N 3.29Å; L1603-Y1608 HydrophobicContact CD2-CD1 3.33Å; L1603-Y1608 HydrophobicContact CD2-CE1 3.56Å; L1603-Y1608 HydrophobicContact CD2-CG 4.44Å; L1603-A1611 HydrophobicContact CD2-CB 3.94Å; L1603-A1611 HydrophobicContact CG-CB 4.35Å; L1603-L1624 HydrophobicContact CD1-CD2 3.17Å; L1603-I1625 HydrophobicContact CD1-CG1 4.21Å; L1603-I1625 HydrophobicContact CD2-CB 4.41Å; L1603-I1625 HydrophobicContact CD2-CG1 4.2Å; L1603-I1625 HydrophobicContact CD2-CG2 4.18Å |
| 1604 | S | 84.4 | Confident | 85 | Confident | 21 Ų | 21 | 21.4 Ų | 21.4 | 15% | 0.147 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -68.5 | -15.4 | 175.4 | 76.7 | 0 | 0 | 0 | 0 | 114.1 | R1600 G1601 L1602 G1686 | R1600-S1604 PolarHBondContact O-N 3.24Å; G1601-S1604 WeakPolarHBondContact O-CB 3.38Å; G1601-S1604 PolarHBondContact O-N 3.5Å; G1601-S1604 VanDerWaalsContact O-N 3.13Å; G1601-S1604 PolarHBondContact O-OG 2.86Å; L1602-S1604 VanDerWaalsContact C-N 3.29Å; L1602-S1604 PolarHBondContact O-N 2.84Å; S1604-G1686 CarbonylContact O-C 3.51Å; S1604-G1686 WeakPolarHBondContact O-CA 3.5Å; S1604-G1686 PolarHBondContact O-N 3.45Å; S1604-G1686 VanDerWaalsContact O-N 3.11Å |
| 1605 | V | 85.8 | Confident | 85.4 | Confident | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 9% | 0.09 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -117.9 | 13.3 | -178 | -169.1 | 0 | 0 | 0 | 0 | 111.6 | L1578 A1581 L1602 L1603 L1607 L1687 L1700 | L1578-V1605 HydrophobicContact CD1-CG2 3.93Å; A1581-V1605 HydrophobicContact CB-CG1 3.38Å; L1602-V1605 CarbonylContact O-C 3.59Å; L1602-V1605 PolarHBondContact O-N 2.91Å; L1603-V1605 PolarHBondContact O-N 2.92Å; V1605-L1607 VanDerWaalsContact C-N 3.28Å; V1605-L1607 PolarHBondContact O-N 2.87Å; V1605-L1687 HydrophobicContact CG1-CD2 3.84Å; V1605-L1700 HydrophobicContact CG1-CD1 4.22Å; V1605-L1700 WeakPolarHBondContact O-CD1 3.47Å |
| 1606 | A | 87.8 | Confident | 85.6 | Confident | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61 | 21.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | L1602 L1603 Y1608 L1684 E1697 L1700 V1701 | L1602-A1606 PolarHBondContact O-N 3.5Å; L1603-A1606 PolarHBondContact O-N 3.29Å; A1606-Y1608 VanDerWaalsContact C-N 3.27Å; A1606-Y1608 VanDerWaalsContact CA-CE2 3.43Å; A1606-Y1608 HydrophobicContact CB-CD2 4.26Å; A1606-Y1608 HydrophobicContact CB-CE2 3.64Å; A1606-Y1608 WeakPolarHBondContact O-CD2 3.32Å; A1606-Y1608 PolarHBondContact O-N 3.42Å; A1606-Y1608 VanDerWaalsContact O-N 3.09Å; A1606-L1684 HydrophobicContact CB-CD1 3.78Å; A1606-E1697 HydrophobicContact CB-CG 4.22Å; A1606-L1700 HydrophobicContact CB-CB 4.38Å; A1606-V1701 HydrophobicContact CB-CG2 4Å |
| 1607 | L | 88 | Confident | 85.8 | Confident | 9 Ų | 9 | 18.9 Ų | 18.9 | 5% | 0.047 | 9% | 0.09 | C | C | . | . | trans | -86.8 | 59.9 | 175.7 | -70.3 | 172.3 | 0 | 0 | 0 | 112 | R1577 A1581 L1602 V1605 D1609 A1611 L1700 | R1577-L1607 HydrophobicContact CB-CD1 4.2Å; A1581-L1607 HydrophobicContact CB-CD1 4.06Å; L1602-L1607 HydrophobicContact CB-CB 4.25Å; L1602-L1607 HydrophobicContact CD2-CB 3.74Å; L1602-L1607 HydrophobicContact CD2-CD1 3.73Å; L1602-L1607 HydrophobicContact CD2-CG 4.42Å; L1602-L1607 PolarHBondContact O-N 3.37Å; V1605-L1607 VanDerWaalsContact C-N 3.28Å; V1605-L1607 PolarHBondContact O-N 2.87Å; L1607-D1609 VanDerWaalsContact C-N 3.35Å; L1607-D1609 PolarHBondContact O-N 2.92Å; L1607-A1611 PolarHBondContact O-N 3.42Å; L1607-L1700 HydrophobicContact CD2-CD2 3.97Å | ||
| 1608 | Y | 89.7 | Confident | 85.9 | Confident | 1 Ų | 1 | 17.6 Ų | 17.6 | 0% | 0.004 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -66.5 | -30.3 | -171.1 | -61.8 | -77.7 | 0 | 0 | 0 | 114.3 | L1603 A1606 A1611 V1612 I1629 V1701 Y1753 L1756 | L1603-Y1608 HydrophobicContact CD2-CD1 3.33Å; L1603-Y1608 HydrophobicContact CD2-CE1 3.56Å; L1603-Y1608 HydrophobicContact CD2-CG 4.44Å; A1606-Y1608 VanDerWaalsContact C-N 3.27Å; A1606-Y1608 VanDerWaalsContact CA-CE2 3.43Å; A1606-Y1608 HydrophobicContact CB-CD2 4.26Å; A1606-Y1608 HydrophobicContact CB-CE2 3.64Å; A1606-Y1608 WeakPolarHBondContact O-CD2 3.32Å; A1606-Y1608 PolarHBondContact O-N 3.42Å; A1606-Y1608 VanDerWaalsContact O-N 3.09Å; Y1608-A1611 PolarHBondContact O-N 3.03Å; Y1608-V1612 VanDerWaalsContact O-CG2 3.26Å; Y1608-V1612 WeakPolarHBondContact O-CG2 3.49Å; Y1608-V1612 PolarHBondContact O-N 2.94Å; Y1608-I1629 HydrophobicContact CD1-CD1 3.79Å; Y1608-I1629 HydrophobicContact CD1-CG1 3.56Å; Y1608-I1629 HydrophobicContact CE1-CD1 4.22Å; Y1608-I1629 HydrophobicContact CE1-CG1 3.45Å; Y1608-I1629 VanDerWaalsContact CE1-CG1 3.45Å; Y1608-I1629 HydrophobicContact CG-CD1 4.33Å; Y1608-I1629 HydrophobicContact CG-CG1 4.34Å; Y1608-V1701 HydrophobicContact CD2-CG2 4.4Å; Y1608-V1701 HydrophobicContact CE2-CG2 4.04Å; Y1608-Y1753 AromaticContact CE2-CE1 3.79Å; Y1608-Y1753 HydrophobicContact CE2-CE1 3.79Å; Y1608-Y1753 AromaticContact CE2-CZ 3.9Å; Y1608-Y1753 WeakPolarHBondContact CE2-OH 3.49Å; Y1608-Y1753 AromaticContact CZ-CE1 3.77Å; Y1608-Y1753 WeakPolarHBondContact OH-CE1 3.16Å; Y1608-Y1753 PolarHBondContact OH-OH 2.92Å; Y1608-L1756 HydrophobicContact CD1-CD2 4.28Å; Y1608-L1756 HydrophobicContact CD2-CD2 3.28Å; Y1608-L1756 HydrophobicContact CE2-CD2 3.67Å; Y1608-L1756 HydrophobicContact CG-CD2 3.64Å |
| 1609 | D | 88 | Confident | 85.7 | Confident | 7 Ų | 7 | 23.2 Ų | 23.2 | 4% | 0.037 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -69.5 | -40.4 | -178 | 64.2 | -51.7 | 0 | 0 | 0 | 112.8 | L1607 R1613 N1707 L1708 | L1607-D1609 VanDerWaalsContact C-N 3.35Å; L1607-D1609 PolarHBondContact O-N 2.92Å; D1609-R1613 WeakPolarHBondContact O-CB 3.45Å; D1609-R1613 PolarHBondContact O-N 2.98Å; D1609-R1613 VanDerWaalsContact O-N 3.14Å; D1609-N1707 HydrophobicContact CB-CB 4.04Å; D1609-N1707 WeakPolarHBondContact OD2-CB 3.29Å; D1609-N1707 PolarHBondContact OD2-ND2 2.63Å; D1609-L1708 HydrophobicContact CB-CD1 4.4Å; D1609-L1708 HydrophobicContact CB-CD2 4.25Å; D1609-L1708 HydrophobicContact CB-CG 3.86Å |
| 1610 | E | 87.6 | Confident | 85.6 | Confident | 3 Ų | 3 | 24.7 Ų | 24.7 | 1% | 0.014 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -70.6 | -36 | 174.3 | -64.8 | -69.3 | 175.9 | 0 | 0 | 110.5 | R1573 R1577 L1602 R1613 L1614 | R1573-E1610 IonicContact CZ-OE1 2.96Å; R1573-E1610 VanDerWaalsContact CZ-OE1 3.22Å; R1573-E1610 IonicContact NE-OE1 3.97Å; R1573-E1610 PolarHBondContact NE-OE1 2.93Å; R1573-E1610 IonicContact NE-OE2 3.76Å; R1573-E1610 IonicContact NH2-OE1 2.82Å; R1573-E1610 PolarHBondContact NH2-OE1 3.17Å; R1577-E1610 HydrophobicContact CG-CG 4.34Å; L1602-E1610 HydrophobicContact CD1-CB 4.02Å; L1602-E1610 HydrophobicContact CD2-CB 4.39Å; E1610-R1613 PolarHBondContact O-N 3.38Å; E1610-R1613 IonicContact OE2-CZ 2.65Å; E1610-L1614 WeakPolarHBondContact O-CB 3.38Å; E1610-L1614 PolarHBondContact O-N 2.84Å |
| 1611 | A | 88.7 | Confident | 85.5 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -62.1 | -47.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | V1599 L1602 L1603 L1607 Y1608 R1613 L1614 C1615 I1625 | V1599-A1611 HydrophobicContact CG1-CB 4.36Å; L1602-A1611 HydrophobicContact CB-CB 4.16Å; L1602-A1611 HydrophobicContact CD1-CB 4.21Å; L1603-A1611 HydrophobicContact CD2-CB 3.94Å; L1603-A1611 HydrophobicContact CG-CB 4.35Å; L1607-A1611 PolarHBondContact O-N 3.42Å; Y1608-A1611 PolarHBondContact O-N 3.03Å; A1611-R1613 VanDerWaalsContact C-N 3.31Å; A1611-R1613 PolarHBondContact O-N 2.89Å; A1611-L1614 PolarHBondContact O-N 3.13Å; A1611-C1615 PolarHBondContact O-N 3.15Å; A1611-I1625 HydrophobicContact CB-CD1 4.08Å; A1611-I1625 HydrophobicContact CB-CG1 4.47Å |
| 1612 | V | 88.1 | Confident | 85.6 | Confident | 1 Ų | 1 | 24.8 Ų | 24.8 | 1% | 0.006 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -58.1 | -44.9 | 175.1 | 168.3 | 0 | 0 | 0 | 0 | 110.9 | Y1608 L1614 C1615 E1616 I1625 L1708 V1760 L1764 | Y1608-V1612 VanDerWaalsContact O-CG2 3.26Å; Y1608-V1612 WeakPolarHBondContact O-CG2 3.49Å; Y1608-V1612 PolarHBondContact O-N 2.94Å; V1612-L1614 VanDerWaalsContact C-N 3.31Å; V1612-L1614 PolarHBondContact O-N 3.36Å; V1612-C1615 PolarHBondContact O-N 3.04Å; V1612-E1616 WeakPolarHBondContact O-CG 3.49Å; V1612-E1616 PolarHBondContact O-N 2.9Å; V1612-I1625 HydrophobicContact CB-CD1 4.49Å; V1612-I1625 HydrophobicContact CG2-CD1 3.95Å; V1612-I1625 HydrophobicContact CG2-CG2 4.3Å; V1612-L1708 HydrophobicContact CB-CD2 4.13Å; V1612-L1708 HydrophobicContact CG1-CD2 3.99Å; V1612-L1708 HydrophobicContact CG2-CD2 4.36Å; V1612-V1760 HydrophobicContact CG2-CG1 4.16Å; V1612-V1760 HydrophobicContact CG2-CG2 4.4Å; V1612-L1764 HydrophobicContact CG1-CD2 4.1Å; V1612-L1764 HydrophobicContact CG1-CG 4.46Å; V1612-L1764 HydrophobicContact CG2-CD1 4.27Å |
| 1613 | R | 86.1 | Confident | 85.5 | Confident | 46 Ų | 46 | 25.4 Ų | 25.4 | 17% | 0.174 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -64.7 | -36.6 | 179.3 | -163 | -177 | -55.2 | 179.9 | 12 | 112.4 | I1570 R1573 D1609 E1610 A1611 E1616 S1617 | I1570-R1613 HydrophobicContact CG2-CG 4.33Å; R1573-R1613 VanDerWaalsContact CZ-NH1 3.28Å; D1609-R1613 WeakPolarHBondContact O-CB 3.45Å; D1609-R1613 PolarHBondContact O-N 2.98Å; D1609-R1613 VanDerWaalsContact O-N 3.14Å; E1610-R1613 PolarHBondContact O-N 3.38Å; E1610-R1613 IonicContact OE2-CZ 2.65Å; A1611-R1613 VanDerWaalsContact C-N 3.31Å; A1611-R1613 PolarHBondContact O-N 2.89Å; R1613-E1616 PolarHBondContact O-N 3.45Å; R1613-S1617 WeakPolarHBondContact O-CB 3.35Å; R1613-S1617 PolarHBondContact O-N 3.36Å; R1613-S1617 PolarHBondContact O-OG 2.94Å |
| 1614 | L | 85.3 | Confident | 85.4 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -67.3 | -47.8 | 177.8 | -148.2 | 161 | 0 | 0 | 0 | 110.4 | L1571 A1574 P1595 V1598 V1599 L1602 E1610 A1611 V1612 E1616 S1617 Y1618 L1620 | L1571-L1614 HydrophobicContact CD1-CD1 4.03Å; L1571-L1614 HydrophobicContact CD1-CD2 4.44Å; A1574-L1614 HydrophobicContact CB-CD1 3.56Å; P1595-L1614 HydrophobicContact CB-CD2 3.62Å; V1598-L1614 HydrophobicContact CB-CD1 3.93Å; V1598-L1614 HydrophobicContact CG1-CD1 3.6Å; V1599-L1614 HydrophobicContact CG2-CB 4.09Å; V1599-L1614 HydrophobicContact CG2-CD1 4.35Å; V1599-L1614 HydrophobicContact CG2-CD2 4.08Å; V1599-L1614 HydrophobicContact CG2-CG 4.4Å; L1602-L1614 HydrophobicContact CD1-CD1 4.4Å; E1610-L1614 WeakPolarHBondContact O-CB 3.38Å; E1610-L1614 PolarHBondContact O-N 2.84Å; A1611-L1614 PolarHBondContact O-N 3.13Å; V1612-L1614 VanDerWaalsContact C-N 3.31Å; V1612-L1614 PolarHBondContact O-N 3.36Å; L1614-E1616 VanDerWaalsContact C-N 3.29Å; L1614-E1616 PolarHBondContact O-N 2.83Å; L1614-S1617 PolarHBondContact O-N 3.13Å; L1614-S1617 VanDerWaalsContact O-N 3.12Å; L1614-S1617 PolarHBondContact O-OG 3.24Å; L1614-Y1618 HydrophobicContact CD2-CD2 3.69Å; L1614-Y1618 HydrophobicContact CD2-CE2 4.33Å; L1614-Y1618 HydrophobicContact CD2-CG 4.35Å; L1614-Y1618 HydrophobicContact CG-CD2 4.33Å; L1614-Y1618 PolarHBondContact O-N 3.38Å; L1614-L1620 HydrophobicContact CD2-CD1 3.69Å |
| 1615 | C | 85 | Confident | 85.6 | Confident | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.007 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -55.5 | -43.8 | 171.5 | -69.8 | 0 | 0 | 0 | 0 | 111.6 | A1611 V1612 S1617 D1619 L1620 I1625 F1777 | A1611-C1615 PolarHBondContact O-N 3.15Å; V1612-C1615 PolarHBondContact O-N 3.04Å; C1615-S1617 VanDerWaalsContact C-N 3.35Å; C1615-S1617 PolarHBondContact O-N 3.34Å; C1615-D1619 WeakPolarHBondContact O-CA 3.47Å; C1615-D1619 PolarHBondContact O-N 3.44Å; C1615-L1620 HydrophobicContact CB-CB 4.3Å; C1615-L1620 PolarHBondContact O-N 3.14Å; C1615-I1625 HydrophobicContact CB-CD1 4.3Å; C1615-I1625 VanDerWaalsContact SG-CD1 3.54Å; C1615-F1777 WeakPolarHBondContact O-CZ 3.29Å |
| 1616 | E | 83.5 | Confident | 85.8 | Confident | 63 Ų | 63 | 26.4 Ų | 26.4 | 29% | 0.294 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -62.2 | -37.5 | 176.8 | -77.2 | 177.3 | 179.9 | 0 | 0 | 113.7 | V1612 R1613 L1614 R1763 F1777 | V1612-E1616 WeakPolarHBondContact O-CG 3.49Å; V1612-E1616 PolarHBondContact O-N 2.9Å; R1613-E1616 PolarHBondContact O-N 3.45Å; L1614-E1616 VanDerWaalsContact C-N 3.29Å; L1614-E1616 PolarHBondContact O-N 2.83Å; E1616-R1763 IonicContact OE1-CZ 2.87Å; E1616-R1763 IonicContact OE1-NE 3.65Å; E1616-R1763 PolarHBondContact OE1-NE 3.45Å; E1616-R1763 IonicContact OE1-NH2 3.62Å; E1616-R1763 PolarHBondContact OE1-NH2 3.3Å; E1616-R1763 VanDerWaalsContact OE1-NH2 3.08Å; E1616-R1763 IonicContact OE2-CZ 3.67Å; E1616-R1763 IonicContact OE2-NE 3.04Å; E1616-R1763 IonicContact OE2-NH2 2.65Å; E1616-R1763 PolarHBondContact OE2-NH2 3.27Å; E1616-F1777 VanDerWaalsContact CA-CZ 3.47Å; E1616-F1777 HydrophobicContact CB-CE2 4.15Å; E1616-F1777 HydrophobicContact CB-CZ 4.42Å; E1616-F1777 HydrophobicContact CG-CE2 4.05Å; E1616-F1777 HydrophobicContact CG-CZ 4.41Å |
| 1617 | S | 82.3 | Confident | 85.8 | Confident | 23 Ų | 23 | 29 Ų | 29 | 16% | 0.161 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -83.1 | -30 | -175.6 | 62.1 | 0 | 0 | 0 | 0 | 114.6 | N1567 R1613 L1614 C1615 | N1567-S1617 PolarHBondContact ND2-O 3.41Å; R1613-S1617 WeakPolarHBondContact O-CB 3.35Å; R1613-S1617 PolarHBondContact O-N 3.36Å; R1613-S1617 PolarHBondContact O-OG 2.94Å; L1614-S1617 PolarHBondContact O-N 3.13Å; L1614-S1617 VanDerWaalsContact O-N 3.12Å; L1614-S1617 PolarHBondContact O-OG 3.24Å; C1615-S1617 VanDerWaalsContact C-N 3.35Å; C1615-S1617 PolarHBondContact O-N 3.34Å |
| 1618 | Y | 82.5 | Confident | 85.8 | Confident | 57 Ų | 57 | 30 Ų | 30 | 22% | 0.224 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -108.9 | 3 | -177.6 | -76 | -88.6 | 0 | 0 | 0 | 113.9 | N1567 L1571 P1595 L1614 L1620 | N1567-Y1618 HydrophobicContact CB-CE2 4.37Å; N1567-Y1618 PolarHBondContact O-OH 3.33Å; N1567-Y1618 VanDerWaalsContact O-OH 3.13Å; L1571-Y1618 HydrophobicContact CB-CE2 3.91Å; L1571-Y1618 WeakPolarHBondContact CB-OH 3.46Å; P1595-Y1618 HydrophobicContact CB-CD1 4.28Å; P1595-Y1618 HydrophobicContact CB-CD2 4.41Å; P1595-Y1618 HydrophobicContact CB-CG 4.11Å; P1595-Y1618 HydrophobicContact CG-CD1 3.85Å; P1595-Y1618 HydrophobicContact CG-CE1 3.97Å; P1595-Y1618 HydrophobicContact CG-CG 4.18Å; L1614-Y1618 HydrophobicContact CD2-CD2 3.69Å; L1614-Y1618 HydrophobicContact CD2-CE2 4.33Å; L1614-Y1618 HydrophobicContact CD2-CG 4.35Å; L1614-Y1618 HydrophobicContact CG-CD2 4.33Å; L1614-Y1618 PolarHBondContact O-N 3.38Å; Y1618-L1620 VanDerWaalsContact C-N 3.32Å; Y1618-L1620 PolarHBondContact O-N 3.5Å |
| 1619 | D | 79.2 | Confident | 85.8 | Confident | 117 Ų | 117 | 30 Ų | 30 | 63% | 0.626 | 16% | 0.157 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.4 | 43.4 | -178.7 | -151.1 | 16.2 | 0 | 0 | 0 | 113.1 | C1615 F1777 | C1615-D1619 WeakPolarHBondContact O-CA 3.47Å; C1615-D1619 PolarHBondContact O-N 3.44Å; D1619-F1777 WeakPolarHBondContact OD1-CE1 3.33Å |
| 1620 | L | 84.8 | Confident | 85.8 | Confident | 35 Ų | 35 | 29.6 Ų | 29.6 | 18% | 0.183 | 16% | 0.155 | C | C | . | . | trans | -84 | 153.5 | 179.6 | -53.9 | 172.3 | 0 | 0 | 0 | 111.3 | P1595 V1599 L1614 C1615 Y1618 P1622 | P1595-L1620 HydrophobicContact CB-CD1 3.85Å; P1595-L1620 HydrophobicContact CB-CD2 4.35Å; V1599-L1620 HydrophobicContact CG2-CD1 3.94Å; L1614-L1620 HydrophobicContact CD2-CD1 3.69Å; C1615-L1620 HydrophobicContact CB-CB 4.3Å; C1615-L1620 PolarHBondContact O-N 3.14Å; Y1618-L1620 VanDerWaalsContact C-N 3.32Å; Y1618-L1620 PolarHBondContact O-N 3.5Å; L1620-P1622 VanDerWaalsContact O-CD 3.22Å; L1620-P1622 WeakPolarHBondContact O-CD 3.36Å | ||
| 1621 | D | 81.5 | Confident | 85.8 | Confident | 120 Ų | 120 | 33.1 Ų | 33.1 | 64% | 0.642 | 17% | 0.173 | S | C | * | . | trans | -62.5 | 115.2 | 178.5 | -177.2 | 6.4 | 0 | 0 | 0 | 112 | A1623 | D1621-A1623 PolarHBondContact O-N 3.19Å; D1621-A1623 VanDerWaalsContact OD1-CB 3.3Å; D1621-A1623 WeakPolarHBondContact OD1-CB 3.26Å; D1621-A1623 PolarHBondContact OD1-N 3.14Å | ||
| 1622 | P | 84.7 | Confident | 85.8 | Confident | 7 Ų | 7 | 33.3 Ų | 33.3 | 5% | 0.045 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -8.4 | -179.9 | 27.4 | -33.2 | 0 | 0 | 0 | 114.5 | L1620 L1624 I1625 I1626 L1764 T1779 L1785 | L1620-P1622 VanDerWaalsContact O-CD 3.22Å; L1620-P1622 WeakPolarHBondContact O-CD 3.36Å; P1622-L1624 PolarHBondContact O-N 2.87Å; P1622-I1625 PolarHBondContact O-N 3.32Å; P1622-I1625 VanDerWaalsContact O-N 3.15Å; P1622-I1626 PolarHBondContact O-N 2.93Å; P1622-L1764 HydrophobicContact CB-CD1 3.79Å; P1622-T1779 HydrophobicContact CG-CG2 4.26Å; P1622-L1785 HydrophobicContact CB-CD1 3.98Å; P1622-L1785 HydrophobicContact CG-CD1 3.78Å; P1622-L1785 HydrophobicContact CG-CD2 4.2Å |
| 1623 | A | 84.8 | Confident | 85.7 | Confident | 13 Ų | 13 | 33.3 Ų | 33.3 | 11% | 0.107 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -55.3 | -36.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | D1621 I1625 I1626 N1627 L1785 I1788 | D1621-A1623 PolarHBondContact O-N 3.19Å; D1621-A1623 VanDerWaalsContact OD1-CB 3.3Å; D1621-A1623 WeakPolarHBondContact OD1-CB 3.26Å; D1621-A1623 PolarHBondContact OD1-N 3.14Å; A1623-I1625 PolarHBondContact O-N 3.33Å; A1623-I1626 PolarHBondContact O-N 3.05Å; A1623-N1627 WeakPolarHBondContact O-CB 3.21Å; A1623-N1627 PolarHBondContact O-N 3.22Å; A1623-N1627 PolarHBondContact O-ND2 3.01Å; A1623-L1785 HydrophobicContact CB-CD2 4.4Å; A1623-I1788 HydrophobicContact CB-CD1 4.03Å |
| 1624 | L | 85.9 | Confident | 85.6 | Confident | 51 Ų | 51 | 31.3 Ų | 31.3 | 27% | 0.267 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -64.4 | -39.5 | -179.1 | -158.1 | 152.6 | 0 | 0 | 0 | 112 | V1599 R1600 L1603 P1622 S1628 | V1599-L1624 HydrophobicContact CG1-CD2 4.45Å; R1600-L1624 HydrophobicContact CG-CD1 3.91Å; R1600-L1624 HydrophobicContact CG-CD2 4.07Å; L1603-L1624 HydrophobicContact CD1-CD2 3.17Å; P1622-L1624 PolarHBondContact O-N 2.87Å; L1624-S1628 PolarHBondContact O-N 3.24Å; L1624-S1628 VanDerWaalsContact O-N 3.1Å |
| 1625 | I | 89.4 | Confident | 85.5 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.8 | -48.8 | 175.8 | -59.3 | -178.6 | 0 | 0 | 0 | 109.9 | V1599 L1603 A1611 V1612 C1615 P1622 A1623 N1627 S1628 I1629 V1760 | V1599-I1625 HydrophobicContact CG1-CG1 4.28Å; L1603-I1625 HydrophobicContact CD1-CG1 4.21Å; L1603-I1625 HydrophobicContact CD2-CB 4.41Å; L1603-I1625 HydrophobicContact CD2-CG1 4.2Å; L1603-I1625 HydrophobicContact CD2-CG2 4.18Å; A1611-I1625 HydrophobicContact CB-CD1 4.08Å; A1611-I1625 HydrophobicContact CB-CG1 4.47Å; V1612-I1625 HydrophobicContact CB-CD1 4.49Å; V1612-I1625 HydrophobicContact CG2-CD1 3.95Å; V1612-I1625 HydrophobicContact CG2-CG2 4.3Å; C1615-I1625 HydrophobicContact CB-CD1 4.3Å; C1615-I1625 VanDerWaalsContact SG-CD1 3.54Å; P1622-I1625 PolarHBondContact O-N 3.32Å; P1622-I1625 VanDerWaalsContact O-N 3.15Å; A1623-I1625 PolarHBondContact O-N 3.33Å; I1625-N1627 VanDerWaalsContact C-N 3.34Å; I1625-N1627 PolarHBondContact O-N 3.47Å; I1625-S1628 PolarHBondContact O-N 3.48Å; I1625-S1628 PolarHBondContact O-OG 2.67Å; I1625-I1629 HydrophobicContact CG2-CD1 3.74Å; I1625-I1629 HydrophobicContact CG2-CG1 4.49Å; I1625-I1629 WeakPolarHBondContact O-CG1 3.4Å; I1625-I1629 PolarHBondContact O-N 2.82Å; I1625-I1629 VanDerWaalsContact O-N 3.08Å; I1625-V1760 HydrophobicContact CG2-CG1 4.16Å |
| 1626 | I | 89.9 | Confident | 85.4 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.3 | -40.5 | -178.5 | -60.8 | -59.2 | 0 | 0 | 0 | 111.6 | P1622 A1623 S1628 I1629 S1630 V1760 L1761 L1785 I1788 A1789 | P1622-I1626 PolarHBondContact O-N 2.93Å; A1623-I1626 PolarHBondContact O-N 3.05Å; I1626-S1628 PolarHBondContact O-N 3.05Å; I1626-I1629 PolarHBondContact O-N 3.39Å; I1626-S1630 VanDerWaalsContact O-CB 3.28Å; I1626-S1630 WeakPolarHBondContact O-CB 3.44Å; I1626-S1630 PolarHBondContact O-N 2.89Å; I1626-S1630 PolarHBondContact O-OG 3.14Å; I1626-V1760 HydrophobicContact CD1-CG1 3.75Å; I1626-L1761 HydrophobicContact CD1-CD2 3.65Å; I1626-L1761 HydrophobicContact CD1-CG 4.06Å; I1626-L1761 HydrophobicContact CG1-CD2 4.28Å; I1626-L1761 HydrophobicContact CG2-CD2 4.33Å; I1626-L1785 HydrophobicContact CG1-CB 4.12Å; I1626-L1785 HydrophobicContact CG1-CD1 4.13Å; I1626-L1785 HydrophobicContact CG1-CD2 4.1Å; I1626-L1785 HydrophobicContact CG1-CG 4.34Å; I1626-L1785 WeakPolarHBondContact CG2-O 3.4Å; I1626-I1788 HydrophobicContact CG2-CG2 4.23Å; I1626-A1789 HydrophobicContact CG2-CB 3.85Å |
| 1627 | N | 87.2 | Confident | 85.2 | Confident | 56 Ų | 56 | 33 Ų | 33 | 30% | 0.299 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -55.8 | -51.7 | 173.8 | -79.8 | -25.4 | 0 | 0 | 0 | 111.4 | A1623 I1625 I1629 S1630 L1631 I1788 N1792 | A1623-N1627 WeakPolarHBondContact O-CB 3.21Å; A1623-N1627 PolarHBondContact O-N 3.22Å; A1623-N1627 PolarHBondContact O-ND2 3.01Å; I1625-N1627 VanDerWaalsContact C-N 3.34Å; I1625-N1627 PolarHBondContact O-N 3.47Å; N1627-I1629 PolarHBondContact O-N 3.5Å; N1627-S1630 PolarHBondContact O-N 3.3Å; N1627-S1630 PolarHBondContact O-OG 2.85Å; N1627-L1631 VanDerWaalsContact O-CB 3.29Å; N1627-L1631 WeakPolarHBondContact O-CB 3.47Å; N1627-L1631 WeakPolarHBondContact O-CD1 3.46Å; N1627-L1631 VanDerWaalsContact O-CG 3.3Å; N1627-L1631 WeakPolarHBondContact O-CG 3.33Å; N1627-L1631 PolarHBondContact O-N 3.21Å; N1627-I1788 WeakPolarHBondContact OD1-CG2 3.34Å; N1627-N1792 WeakPolarHBondContact CA-ND2 3.32Å; N1627-N1792 PolarHBondContact OD1-ND2 2.82Å |
| 1628 | S | 87.5 | Confident | 84.9 | Confident | 29 Ų | 29 | 34 Ų | 34 | 20% | 0.203 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.9 | -44.1 | -178.4 | 72.1 | 0 | 0 | 0 | 0 | 113 | L1624 I1625 I1626 R1632 | L1624-S1628 PolarHBondContact O-N 3.24Å; L1624-S1628 VanDerWaalsContact O-N 3.1Å; I1625-S1628 PolarHBondContact O-N 3.48Å; I1625-S1628 PolarHBondContact O-OG 2.67Å; I1626-S1628 PolarHBondContact O-N 3.05Å; S1628-R1632 WeakPolarHBondContact O-CB 3.49Å; S1628-R1632 PolarHBondContact O-N 3.47Å; S1628-R1632 VanDerWaalsContact O-N 3.08Å |
| 1629 | I | 90.5 | Very high | 84.3 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -70.3 | -45.7 | -178.5 | -62 | 169.1 | 0 | 0 | 0 | 110.3 | Y1608 I1625 I1626 N1627 R1632 C1633 Y1753 L1756 L1757 V1760 | Y1608-I1629 HydrophobicContact CD1-CD1 3.79Å; Y1608-I1629 HydrophobicContact CD1-CG1 3.56Å; Y1608-I1629 HydrophobicContact CE1-CD1 4.22Å; Y1608-I1629 HydrophobicContact CE1-CG1 3.45Å; Y1608-I1629 VanDerWaalsContact CE1-CG1 3.45Å; Y1608-I1629 HydrophobicContact CG-CD1 4.33Å; Y1608-I1629 HydrophobicContact CG-CG1 4.34Å; I1625-I1629 HydrophobicContact CG2-CD1 3.74Å; I1625-I1629 HydrophobicContact CG2-CG1 4.49Å; I1625-I1629 WeakPolarHBondContact O-CG1 3.4Å; I1625-I1629 PolarHBondContact O-N 2.82Å; I1625-I1629 VanDerWaalsContact O-N 3.08Å; I1626-I1629 PolarHBondContact O-N 3.39Å; N1627-I1629 PolarHBondContact O-N 3.5Å; I1629-R1632 PolarHBondContact O-N 2.81Å; I1629-C1633 PolarHBondContact O-N 2.93Å; I1629-C1633 PolarHBondContact O-SG 3Å; I1629-Y1753 HydrophobicContact CG2-CD1 4.16Å; I1629-L1756 HydrophobicContact CD1-CD2 3.99Å; I1629-L1756 HydrophobicContact CD1-CG 4.15Å; I1629-L1756 HydrophobicContact CG1-CD2 4.09Å; I1629-L1756 HydrophobicContact CG2-CD2 4.24Å; I1629-L1756 HydrophobicContact CG2-CG 4.46Å; I1629-L1757 HydrophobicContact CB-CD1 4.35Å; I1629-L1757 HydrophobicContact CG2-CB 3.75Å; I1629-L1757 HydrophobicContact CG2-CD1 3.91Å; I1629-L1757 HydrophobicContact CG2-CG 4.4Å; I1629-V1760 HydrophobicContact CD1-CB 4.21Å; I1629-V1760 HydrophobicContact CD1-CG1 4.21Å; I1629-V1760 HydrophobicContact CD1-CG2 3.92Å |
| 1630 | S | 88.3 | Confident | 83.7 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -69 | -37 | -177.3 | 56.1 | 0 | 0 | 0 | 0 | 113.2 | I1626 N1627 S1634 N1792 | I1626-S1630 VanDerWaalsContact O-CB 3.28Å; I1626-S1630 WeakPolarHBondContact O-CB 3.44Å; I1626-S1630 PolarHBondContact O-N 2.89Å; I1626-S1630 PolarHBondContact O-OG 3.14Å; N1627-S1630 PolarHBondContact O-N 3.3Å; N1627-S1630 PolarHBondContact O-OG 2.85Å; S1630-S1634 WeakPolarHBondContact O-CB 3.43Å; S1630-S1634 PolarHBondContact O-N 3.15Å; S1630-S1634 VanDerWaalsContact O-N 3.14Å; S1630-N1792 WeakPolarHBondContact OG-CB 3.47Å; S1630-N1792 PolarHBondContact OG-ND2 3.41Å |
| 1631 | L | 87.1 | Confident | 82.5 | Confident | 76 Ų | 76 | 32.5 Ų | 32.5 | 40% | 0.398 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -63 | -41.8 | 169.5 | -75.2 | 165.4 | 0 | 0 | 0 | 111 | N1627 S1634 E1635 N1792 | N1627-L1631 VanDerWaalsContact O-CB 3.29Å; N1627-L1631 WeakPolarHBondContact O-CB 3.47Å; N1627-L1631 WeakPolarHBondContact O-CD1 3.46Å; N1627-L1631 VanDerWaalsContact O-CG 3.3Å; N1627-L1631 WeakPolarHBondContact O-CG 3.33Å; N1627-L1631 PolarHBondContact O-N 3.21Å; L1631-S1634 PolarHBondContact O-N 3.33Å; L1631-S1634 PolarHBondContact O-OG 3.28Å; L1631-E1635 WeakPolarHBondContact O-CG 3.5Å; L1631-E1635 PolarHBondContact O-N 3.49Å; L1631-N1792 HydrophobicContact CD2-CB 4.31Å; L1631-N1792 HydrophobicContact CG-CB 4.26Å |
| 1632 | R | 88.3 | Confident | 81 | Confident | 5 Ų | 5 | 29.1 Ų | 29.1 | 2% | 0.019 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -67.5 | -39.9 | 178.1 | -165.5 | 57.8 | 172.8 | 164.5 | 3.2 | 112.9 | S1628 I1629 S1634 E1635 L1636 P1682 E1697 Y1753 | S1628-R1632 WeakPolarHBondContact O-CB 3.49Å; S1628-R1632 PolarHBondContact O-N 3.47Å; S1628-R1632 VanDerWaalsContact O-N 3.08Å; I1629-R1632 PolarHBondContact O-N 2.81Å; R1632-S1634 PolarHBondContact O-N 3Å; R1632-E1635 IonicContact CZ-OE2 3.39Å; R1632-E1635 IonicContact NH1-OE2 3.88Å; R1632-E1635 PolarHBondContact NH1-OE2 3.18Å; R1632-L1636 HydrophobicContact CG-CD1 4.14Å; R1632-L1636 WeakPolarHBondContact O-CB 3.29Å; R1632-L1636 VanDerWaalsContact O-CG 3.28Å; R1632-L1636 WeakPolarHBondContact O-CG 3.46Å; R1632-L1636 PolarHBondContact O-N 3.35Å; R1632-L1636 VanDerWaalsContact O-N 3.08Å; R1632-P1682 VanDerWaalsContact CZ-O 3.26Å; R1632-P1682 PolarHBondContact NH1-O 3.26Å; R1632-P1682 PolarHBondContact NH2-O 2.93Å; R1632-E1697 IonicContact CZ-OE1 2.99Å; R1632-E1697 IonicContact CZ-OE2 2.74Å; R1632-E1697 IonicContact NE-OE1 3.72Å; R1632-E1697 PolarHBondContact NE-OE1 3.48Å; R1632-E1697 IonicContact NE-OE2 2.64Å; R1632-E1697 IonicContact NH2-OE1 3.52Å; R1632-E1697 PolarHBondContact NH2-OE1 2.89Å; R1632-E1697 VanDerWaalsContact NH2-OE1 3.13Å; R1632-E1697 IonicContact NH2-OE2 2.68Å; R1632-E1697 PolarHBondContact NH2-OE2 3.44Å; R1632-Y1753 HydrophobicContact CB-CD1 3.98Å; R1632-Y1753 HydrophobicContact CB-CE1 3.7Å; R1632-Y1753 HydrophobicContact CG-CD1 3.91Å; R1632-Y1753 HydrophobicContact CG-CD2 4.26Å; R1632-Y1753 HydrophobicContact CG-CE1 3.46Å; R1632-Y1753 VanDerWaalsContact CG-CE1 3.46Å; R1632-Y1753 HydrophobicContact CG-CE2 3.81Å; R1632-Y1753 HydrophobicContact CG-CG 4.3Å; R1632-Y1753 VanDerWaalsContact CG-CZ 3.4Å |
| 1633 | C | 86.6 | Confident | 78.8 | Confident | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.007 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -55.2 | -41 | 171.2 | -70.9 | 0 | 0 | 0 | 0 | 111.5 | I1629 A1637 Y1753 W1754 | I1629-C1633 PolarHBondContact O-N 2.93Å; I1629-C1633 PolarHBondContact O-SG 3Å; C1633-A1637 VanDerWaalsContact O-CB 3.28Å; C1633-A1637 WeakPolarHBondContact O-CB 3.32Å; C1633-A1637 PolarHBondContact O-N 3.35Å; C1633-A1637 VanDerWaalsContact O-N 3.12Å; C1633-Y1753 PolarHBondContact SG-O 3.36Å; C1633-W1754 HydrophobicContact CB-CD2 4.28Å; C1633-W1754 HydrophobicContact CB-CE3 4.24Å; C1633-W1754 HydrophobicContact CB-CH2 3.92Å; C1633-W1754 HydrophobicContact CB-CZ2 3.95Å; C1633-W1754 HydrophobicContact CB-CZ3 4.07Å |
| 1634 | S | 83.1 | Confident | 76.4 | Confident | 3 Ų | 3 | 39 Ų | 39 | 2% | 0.021 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -77.3 | -42.5 | -174.9 | 78.3 | 0 | 0 | 0 | 0 | 112.5 | S1630 L1631 R1632 L1636 A1637 Q1638 S1796 | S1630-S1634 WeakPolarHBondContact O-CB 3.43Å; S1630-S1634 PolarHBondContact O-N 3.15Å; S1630-S1634 VanDerWaalsContact O-N 3.14Å; L1631-S1634 PolarHBondContact O-N 3.33Å; L1631-S1634 PolarHBondContact O-OG 3.28Å; R1632-S1634 PolarHBondContact O-N 3Å; S1634-L1636 PolarHBondContact O-N 3.17Å; S1634-A1637 PolarHBondContact O-N 3.16Å; S1634-Q1638 WeakPolarHBondContact O-CG 3.34Å; S1634-Q1638 PolarHBondContact O-N 3.09Å; S1634-S1796 WeakPolarHBondContact CB-OG 2.88Å; S1634-S1796 VanDerWaalsContact OG-CB 3.26Å; S1634-S1796 WeakPolarHBondContact OG-CB 3.5Å |
| 1635 | E | 83.3 | Confident | 73.8 | Confident | 79 Ų | 79 | 44.2 Ų | 44.2 | 37% | 0.369 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -55.4 | -48.6 | 171.2 | -74.6 | 176.2 | 179.4 | 0 | 0 | 112.3 | L1631 R1632 Q1638 C1639 | L1631-E1635 WeakPolarHBondContact O-CG 3.5Å; L1631-E1635 PolarHBondContact O-N 3.49Å; R1632-E1635 IonicContact CZ-OE2 3.39Å; R1632-E1635 IonicContact NH1-OE2 3.88Å; R1632-E1635 PolarHBondContact NH1-OE2 3.18Å; E1635-Q1638 PolarHBondContact O-N 2.93Å; E1635-C1639 PolarHBondContact O-N 3.42Å; E1635-C1639 PolarHBondContact O-SG 3.47Å |
| 1636 | L | 83.2 | Confident | 70.9 | Confident | 4 Ų | 4 | 52.3 Ų | 52.3 | 2% | 0.021 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -67.7 | -37.6 | -178.6 | -70.4 | 174.3 | 0 | 0 | 0 | 112.2 | R1632 S1634 C1639 A1640 L1749 P1750 Y1753 | R1632-L1636 HydrophobicContact CG-CD1 4.14Å; R1632-L1636 WeakPolarHBondContact O-CB 3.29Å; R1632-L1636 VanDerWaalsContact O-CG 3.28Å; R1632-L1636 WeakPolarHBondContact O-CG 3.46Å; R1632-L1636 PolarHBondContact O-N 3.35Å; R1632-L1636 VanDerWaalsContact O-N 3.08Å; S1634-L1636 PolarHBondContact O-N 3.17Å; L1636-C1639 PolarHBondContact O-N 3.05Å; L1636-A1640 PolarHBondContact O-N 3.09Å; L1636-L1749 HydrophobicContact CD1-CD2 4.09Å; L1636-L1749 HydrophobicContact CD1-CG 3.92Å; L1636-L1749 HydrophobicContact CD2-CD2 3.95Å; L1636-P1750 HydrophobicContact CB-CB 4.33Å; L1636-P1750 HydrophobicContact CB-CG 4.24Å; L1636-Y1753 HydrophobicContact CD1-CD2 3.5Å; L1636-Y1753 VanDerWaalsContact CD1-CD2 3.5Å; L1636-Y1753 HydrophobicContact CD1-CE2 4.03Å; L1636-Y1753 HydrophobicContact CD1-CG 4.06Å |
| 1637 | A | 79.2 | Confident | 68 | Low | 16 Ų | 16 | 58.3 Ų | 58.3 | 13% | 0.132 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -67.3 | -35.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | C1633 S1634 A1640 T1641 L1801 | C1633-A1637 VanDerWaalsContact O-CB 3.28Å; C1633-A1637 WeakPolarHBondContact O-CB 3.32Å; C1633-A1637 PolarHBondContact O-N 3.35Å; C1633-A1637 VanDerWaalsContact O-N 3.12Å; S1634-A1637 PolarHBondContact O-N 3.16Å; A1637-A1640 PolarHBondContact O-N 3.25Å; A1637-T1641 PolarHBondContact O-N 2.97Å; A1637-T1641 PolarHBondContact O-OG1 2.75Å; A1637-L1801 HydrophobicContact CB-CD1 3.72Å; A1637-L1801 HydrophobicContact CB-CD2 3.85Å; A1637-L1801 HydrophobicContact CB-CG 4.48Å |
| 1638 | Q | 74.8 | Confident | 65.1 | Low | 46 Ų | 46 | 62.8 Ų | 62.8 | 22% | 0.215 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -66.8 | -40.5 | 174.7 | -73.1 | 177.6 | 29.2 | 0 | 0 | 112.4 | S1634 E1635 A1640 T1641 G1642 S1796 G1797 L1801 | S1634-Q1638 WeakPolarHBondContact O-CG 3.34Å; S1634-Q1638 PolarHBondContact O-N 3.09Å; E1635-Q1638 PolarHBondContact O-N 2.93Å; Q1638-A1640 VanDerWaalsContact C-N 3.3Å; Q1638-A1640 PolarHBondContact O-N 2.88Å; Q1638-T1641 PolarHBondContact O-N 2.85Å; Q1638-T1641 PolarHBondContact O-OG1 3.44Å; Q1638-G1642 PolarHBondContact O-N 2.79Å; Q1638-S1796 PolarHBondContact NE2-O 3.45Å; Q1638-S1796 PolarHBondContact NE2-OG 2.95Å; Q1638-G1797 VanDerWaalsContact NE2-CA 3.33Å; Q1638-G1797 VanDerWaalsContact NE2-N 3.18Å; Q1638-L1801 HydrophobicContact CG-CD1 4.42Å |
| 1639 | C | 70.7 | Confident | 62.1 | Low | 39 Ų | 39 | 71.2 Ų | 71.2 | 26% | 0.264 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -64.6 | -36.4 | 177.6 | -64.7 | 0 | 0 | 0 | 0 | 112 | E1635 L1636 T1641 F1681 P1682 | E1635-C1639 PolarHBondContact O-N 3.42Å; E1635-C1639 PolarHBondContact O-SG 3.47Å; L1636-C1639 PolarHBondContact O-N 3.05Å; C1639-T1641 VanDerWaalsContact C-N 3.29Å; C1639-T1641 PolarHBondContact O-N 3.28Å; C1639-F1681 HydrophobicContact CB-CD1 3.66Å; C1639-F1681 HydrophobicContact CB-CE1 3.39Å; C1639-F1681 HydrophobicContact CB-CZ 4.27Å; C1639-P1682 VanDerWaalsContact SG-CD 3.51Å |
| 1640 | A | 65.9 | Low | 58.9 | Low | 66 Ų | 66 | 76.3 Ų | 76.3 | 55% | 0.545 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -65.5 | -28.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | L1636 A1637 Q1638 | L1636-A1640 PolarHBondContact O-N 3.09Å; A1637-A1640 PolarHBondContact O-N 3.25Å; Q1638-A1640 VanDerWaalsContact C-N 3.3Å; Q1638-A1640 PolarHBondContact O-N 2.88Å |
| 1641 | T | 60.3 | Low | 56 | Low | 72 Ų | 72 | 84.5 Ų | 84.5 | 44% | 0.442 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -86.1 | -18.5 | -176.4 | 48.8 | 0 | 0 | 0 | 0 | 114.1 | A1637 Q1638 C1639 S1643 N1799 | A1637-T1641 PolarHBondContact O-N 2.97Å; A1637-T1641 PolarHBondContact O-OG1 2.75Å; Q1638-T1641 PolarHBondContact O-N 2.85Å; Q1638-T1641 PolarHBondContact O-OG1 3.44Å; C1639-T1641 VanDerWaalsContact C-N 3.29Å; C1639-T1641 PolarHBondContact O-N 3.28Å; T1641-S1643 PolarHBondContact O-N 3.34Å; T1641-N1799 PolarHBondContact OG1-ND2 2.95Å |
| 1642 | G | 50.4 | Low | 53 | Low | 48 Ų | 48 | 86.8 Ų | 86.8 | 50% | 0.495 | 50% | 0.504 | S | S | . | . | S | Bend | trans | -76.8 | -4.6 | -175.5 | 0 | 0 | 0 | 0 | 0 | 117.1 | Q1638 V1644 | Q1638-G1642 PolarHBondContact O-N 2.79Å; G1642-V1644 PolarHBondContact O-N 3.3Å |
| 1643 | S | 38 | Very low | 50 | Low | 102 Ų | 102 | 92 Ų | 92 | 71% | 0.713 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | 21.4 | -169.3 | -64.2 | 0 | 0 | 0 | 0 | 116.3 | T1641 | T1641-S1643 PolarHBondContact O-N 3.34Š|
| 1644 | V | 34.5 | Very low | 47 | Very low | 127 Ų | 127 | 98.6 Ų | 98.6 | 77% | 0.77 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.1 | -3.2 | -174.7 | -177.4 | 0 | 0 | 0 | 0 | 114.9 | G1642 | G1642-V1644 PolarHBondContact O-N 3.3Š|
| 1645 | N | 31.4 | Very low | 44.3 | Very low | 159 Ų | 159 | 105 Ų | 105 | 85% | 0.85 | 61% | 0.61 | S | S | * | * | trans | -107.6 | 80 | 176.1 | -77.8 | -21.3 | 0 | 0 | 0 | 112.7 | ||||
| 1646 | L | 29.5 | Very low | 41.5 | Very low | 170 Ų | 170 | 111.6 Ų | 111.6 | 89% | 0.89 | 63% | 0.633 | S | S | * | * | trans | -146.9 | 116.6 | 158.4 | -108.7 | 146.6 | 0 | 0 | 0 | 110.6 | ||||
| 1647 | V | 27.7 | Very low | 38.6 | Very low | 126 Ų | 126 | 119.3 Ų | 119.3 | 76% | 0.764 | 67% | 0.669 | S | S | * | * | trans | -67.6 | 135.1 | -171.7 | 171.8 | 0 | 0 | 0 | 0 | 112.2 | F1649 | V1647-F1649 PolarHBondContact O-N 2.91Š| ||
| 1648 | N | 25.9 | Very low | 36 | Very low | 151 Ų | 151 | 124.9 Ų | 124.9 | 81% | 0.807 | 70% | 0.696 | S | S | * | * | trans | 7.1 | 104.6 | 155.7 | -68.9 | -22 | 0 | 0 | 0 | 117.1 | ||||
| 1649 | F | 24.2 | Very low | 33.6 | Very low | 206 Ų | 206 | 133 Ų | 133 | 90% | 0.904 | 73% | 0.725 | S | S | * | * | trans | -125.1 | 120.7 | 139.3 | -93.1 | -83.4 | 0 | 0 | 0 | 109.5 | V1647 | V1647-F1649 PolarHBondContact O-N 2.91Š| ||
| 1650 | S | 25 | Very low | 31.3 | Very low | 107 Ų | 107 | 141.8 Ų | 141.8 | 75% | 0.748 | 75% | 0.753 | S | S | * | * | trans | -54.5 | 139.7 | 178.6 | 45.3 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1651 | Q | 25.7 | Very low | 29.3 | Very low | 172 Ų | 172 | 147.5 Ų | 147.5 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | trans | -13.4 | 136.9 | 161.2 | -67.9 | 171.6 | -25.3 | 0 | 0 | 116 | ||||
| 1652 | P | 25 | Very low | 27.6 | Very low | 123 Ų | 123 | 153.5 Ų | 153.5 | 80% | 0.799 | 79% | 0.788 | S | S | * | * | -132.2 | 118.7 | 107.7 | 30 | -16.2 | 0 | 0 | 0 | 111.8 | |||||
| 1653 | T | 25.2 | Very low | 26.4 | Very low | 116 Ų | 116 | 157.3 Ų | 157.3 | 71% | 0.712 | 80% | 0.801 | S | S | * | * | trans | -46.7 | 132.8 | 150.8 | 34.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1654 | V | 24.6 | Very low | 25.8 | Very low | 138 Ų | 138 | 163 Ų | 163 | 84% | 0.836 | 81% | 0.809 | S | S | * | * | trans | -165.7 | 119.1 | 133.5 | 163.5 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1655 | N | 26.5 | Very low | 25.3 | Very low | 137 Ų | 137 | 162.7 Ų | 162.7 | 73% | 0.733 | 80% | 0.803 | S | S | * | * | trans | -46.6 | 147 | 162.1 | -73 | -34.9 | 0 | 0 | 0 | 112 | ||||
| 1656 | Y | 22.8 | Very low | 25.1 | Very low | 218 Ų | 218 | 163.3 Ų | 163.3 | 86% | 0.855 | 80% | 0.804 | S | S | * | * | -178.3 | 120.3 | 107.8 | -105.6 | -79.7 | 0 | 0 | 0 | 110.2 | |||||
| 1657 | E | 23 | Very low | 24.8 | Very low | 167 Ų | 167 | 163.2 Ų | 163.2 | 78% | 0.78 | 80% | 0.799 | S | S | * | * | trans | -52.1 | 130.7 | 152.5 | -59.6 | 174.3 | 140.3 | 0 | 0 | 109.4 | ||||
| 1658 | L | 25.1 | Very low | 24.6 | Very low | 133 Ų | 133 | 167.6 Ų | 167.6 | 70% | 0.696 | 80% | 0.802 | S | S | * | * | 176.7 | 137 | 116 | -115.7 | 85.1 | 0 | 0 | 0 | 112.7 | |||||
| 1659 | R | 23.6 | Very low | 24.6 | Very low | 216 Ų | 216 | 167.5 Ų | 167.5 | 82% | 0.815 | 81% | 0.807 | S | S | * | * | trans | 78.2 | 89.1 | 148.5 | -69.3 | -178 | -170.8 | -177 | 7.9 | 120 | ||||
| 1660 | R | 23.8 | Very low | 24.7 | Very low | 224 Ų | 224 | 163.9 Ų | 163.9 | 85% | 0.845 | 80% | 0.802 | S | S | * | * | 43.8 | 114.8 | 98.8 | -151.5 | -170.2 | -66.6 | -179 | 0.1 | 117.6 | |||||
| 1661 | K | 23 | Very low | 24.6 | Very low | 186 Ų | 186 | 163.8 Ų | 163.8 | 81% | 0.809 | 80% | 0.801 | S | S | * | * | trans | 67.5 | 107.4 | 150.6 | -79.3 | 178.6 | 175.3 | -172.5 | 0 | 117.1 | ||||
| 1662 | E | 24.7 | Very low | 24.6 | Very low | 198 Ų | 198 | 163 Ų | 163 | 93% | 0.925 | 80% | 0.801 | S | S | * | * | -157.9 | 124 | 117.4 | -104.3 | 163.2 | -154.2 | 0 | 0 | 109.5 | |||||
| 1663 | V | 26 | Very low | 24.7 | Very low | 128 Ų | 128 | 164.6 Ų | 164.6 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | trans | -87.3 | 122.4 | 173.4 | 167.2 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 1664 | Y | 24.8 | Very low | 24.7 | Very low | 221 Ų | 221 | 164.4 Ų | 164.4 | 87% | 0.867 | 80% | 0.8 | S | S | * | * | trans | -161.2 | 136.7 | 146.8 | -99 | -68.4 | 0 | 0 | 0 | 110.9 | ||||
| 1665 | D | 24.4 | Very low | 24.8 | Very low | 120 Ų | 120 | 162.8 Ų | 162.8 | 64% | 0.642 | 80% | 0.795 | S | S | * | * | trans | -45.3 | 147.8 | 179.4 | -59.9 | -66 | 0 | 0 | 0 | 115.3 | ||||
| 1666 | I | 26.2 | Very low | 24.9 | Very low | 173 Ų | 173 | 162.7 Ų | 162.7 | 89% | 0.887 | 80% | 0.799 | S | S | * | * | -153.4 | 116 | 123.5 | -88.7 | 139.5 | 0 | 0 | 0 | 108.4 | |||||
| 1667 | H | 23 | Very low | 25.4 | Very low | 167 Ų | 167 | 156.3 Ų | 156.3 | 77% | 0.773 | 80% | 0.8 | S | S | * | * | trans | -58.3 | 149.3 | 168.1 | -88.6 | -78 | 0 | 0 | 0 | 113.5 | ||||
| 1668 | R | 23.8 | Very low | 25.7 | Very low | 219 Ų | 219 | 155.9 Ų | 155.9 | 83% | 0.826 | 80% | 0.802 | S | S | * | * | trans | 88 | 93 | 139.5 | -161.3 | -173.2 | -86.8 | -163.8 | -5.8 | 117.4 | ||||
| 1669 | T | 26.7 | Very low | 26.5 | Very low | 148 Ų | 148 | 156.9 Ų | 156.9 | 91% | 0.908 | 81% | 0.808 | S | S | * | * | trans | -149.6 | 81 | 132.8 | 42.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1670 | T | 25.2 | Very low | 27.7 | Very low | 130 Ų | 130 | 155.3 Ų | 155.3 | 80% | 0.798 | 81% | 0.81 | S | S | * | * | trans | -81.3 | 106 | 158.3 | 10.5 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1671 | S | 24.3 | Very low | 29.4 | Very low | 105 Ų | 105 | 149.8 Ų | 149.8 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | trans | 165.2 | 142 | 139.4 | 52 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1672 | I | 24.6 | Very low | 31.6 | Very low | 155 Ų | 155 | 143.5 Ų | 143.5 | 80% | 0.795 | 77% | 0.771 | S | S | * | * | trans | 86.3 | 84.6 | 166.4 | -44.1 | 168.9 | 0 | 0 | 0 | 116 | ||||
| 1673 | I | 27.4 | Very low | 34.1 | Very low | 157 Ų | 157 | 136.2 Ų | 136.2 | 81% | 0.805 | 74% | 0.739 | S | S | * | * | -164.6 | 88.8 | 126.1 | -55 | -165 | 0 | 0 | 0 | 107.1 | |||||
| 1674 | T | 25.7 | Very low | 36.7 | Very low | 112 Ų | 112 | 131 Ų | 131 | 69% | 0.687 | 71% | 0.707 | S | S | * | * | 39 | 116.2 | 106.9 | 59.2 | 0 | 0 | 0 | 0 | 118.8 | |||||
| 1675 | S | 26.3 | Very low | 39 | Very low | 105 Ų | 105 | 125.1 Ų | 125.1 | 73% | 0.734 | 70% | 0.696 | S | S | * | * | trans | 44.8 | 106.4 | 138.4 | 63.6 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1676 | T | 28.4 | Very low | 41 | Very low | 135 Ų | 135 | 119.6 Ų | 119.6 | 83% | 0.828 | 67% | 0.668 | S | S | * | * | 178.6 | 104.4 | 125 | 45.7 | 0 | 0 | 0 | 0 | 111.3 | L1678 | T1676-L1678 PolarHBondContact O-N 3.46Å; T1676-L1678 VanDerWaalsContact O-N 3.09Å | |||
| 1677 | G | 32.5 | Very low | 43.4 | Very low | 84 Ų | 84 | 111.4 Ų | 111.4 | 87% | 0.866 | 63% | 0.625 | S | S | * | * | trans | 47.7 | 39.4 | 135 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 1678 | L | 31.1 | Very low | 45.7 | Very low | 157 Ų | 157 | 106.1 Ų | 106.1 | 82% | 0.822 | 61% | 0.611 | S | S | * | * | trans | -99.5 | 116.5 | 167.5 | -77.3 | 166.2 | 0 | 0 | 0 | 110.4 | T1676 Q1680 | T1676-L1678 PolarHBondContact O-N 3.46Å; T1676-L1678 VanDerWaalsContact O-N 3.09Å; L1678-Q1680 PolarHBondContact O-N 3.19Å | ||
| 1679 | N | 40.9 | Very low | 47.8 | Very low | 154 Ų | 154 | 100.4 Ų | 100.4 | 82% | 0.824 | 60% | 0.596 | S | S | * | * | trans | -38.5 | 100.3 | 178.7 | -67.9 | -29.1 | 0 | 0 | 0 | 112.9 | F1681 | N1679-F1681 PolarHBondContact O-N 3.43Š| ||
| 1680 | Q | 48 | Very low | 49.6 | Very low | 184 Ų | 184 | 94.6 Ų | 94.6 | 86% | 0.86 | 56% | 0.56 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 121.6 | 167.7 | -80.6 | 175.1 | -18.7 | 0 | 0 | 108.2 | L1678 | L1678-Q1680 PolarHBondContact O-N 3.19Š|
| 1681 | F | 60.6 | Low | 51.8 | Low | 108 Ų | 108 | 94.5 Ų | 94.5 | 47% | 0.474 | 57% | 0.565 | S | S | . | * | P | Polyproline II helix | trans | -56.5 | 129.4 | 169.7 | -86.4 | -92.7 | 0 | 0 | 0 | 108.7 | C1639 N1679 V1683 L1694 | C1639-F1681 HydrophobicContact CB-CD1 3.66Å; C1639-F1681 HydrophobicContact CB-CE1 3.39Å; C1639-F1681 HydrophobicContact CB-CZ 4.27Å; N1679-F1681 PolarHBondContact O-N 3.43Å; F1681-V1683 PolarHBondContact O-N 2.91Å; F1681-L1694 HydrophobicContact CB-CD1 3.84Å; F1681-L1694 HydrophobicContact CG-CD1 4.34Å |
| 1682 | P | 68.2 | Low | 54.3 | Low | 54 Ų | 54 | 91.9 Ų | 91.9 | 35% | 0.351 | 55% | 0.546 | S | S | . | . | P | Polyproline II helix | trans | -62.5 | 124.4 | 179.5 | 24.8 | -31.8 | 0 | 0 | 0 | 109.3 | R1632 C1639 | R1632-P1682 VanDerWaalsContact CZ-O 3.26Å; R1632-P1682 PolarHBondContact NH1-O 3.26Å; R1632-P1682 PolarHBondContact NH2-O 2.93Å; C1639-P1682 VanDerWaalsContact SG-CD 3.51Å |
| 1683 | V | 78.7 | Confident | 56.9 | Low | 45 Ų | 45 | 85.8 Ų | 85.8 | 27% | 0.273 | 52% | 0.517 | S | S | . | . | P | Polyproline II helix | trans | -97.1 | 147 | 178.9 | 178.9 | 0 | 0 | 0 | 0 | 109 | F1681 L1687 P1693 | F1681-V1683 PolarHBondContact O-N 2.91Å; V1683-L1687 HydrophobicContact CG1-CB 4.08Å; V1683-P1693 HydrophobicContact CB-CG 4.47Å; V1683-P1693 HydrophobicContact CG1-CB 3.48Å; V1683-P1693 VanDerWaalsContact CG1-CB 3.48Å; V1683-P1693 HydrophobicContact CG1-CG 3.79Å; V1683-P1693 HydrophobicContact CG2-CB 4.39Å; V1683-P1693 HydrophobicContact CG2-CG 3.79Å |
| 1684 | L | 80.3 | Confident | 59.4 | Low | 17 Ų | 17 | 80.8 Ų | 80.8 | 9% | 0.089 | 49% | 0.492 | C | S | . | . | P | Polyproline II helix | trans | -57.1 | 137.7 | 173.2 | -75.9 | 173.5 | 0 | 0 | 0 | 110.7 | A1606 G1686 L1687 A1688 E1697 | A1606-L1684 HydrophobicContact CB-CD1 3.78Å; L1684-G1686 PolarHBondContact O-N 2.99Å; L1684-G1686 VanDerWaalsContact O-N 3.1Å; L1684-L1687 HydrophobicContact CB-CB 4.33Å; L1684-L1687 HydrophobicContact CB-CD1 4.24Å; L1684-L1687 HydrophobicContact CB-CG 4.26Å; L1684-L1687 HydrophobicContact CD1-CD1 4.06Å; L1684-L1687 PolarHBondContact O-N 2.7Å; L1684-A1688 PolarHBondContact O-N 2.84Å; L1684-E1697 HydrophobicContact CD1-CG 3.89Å |
| 1685 | P | 72.2 | Confident | 62 | Low | 99 Ų | 99 | 80.3 Ų | 80.3 | 64% | 0.643 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -34.4 | -176.2 | -25.5 | 32.6 | 0 | 0 | 0 | 113.5 | L1687 | P1685-L1687 VanDerWaalsContact C-N 3.31Š|
| 1686 | G | 67.8 | Low | 64.5 | Low | 4 Ų | 4 | 77.2 Ų | 77.2 | 4% | 0.041 | 46% | 0.455 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | 16.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114 | Q1585 S1604 L1684 | Q1585-G1686 PolarHBondContact NE2-O 3.4Å; Q1585-G1686 PolarHBondContact OE1-O 3.23Å; S1604-G1686 CarbonylContact O-C 3.51Å; S1604-G1686 WeakPolarHBondContact O-CA 3.5Å; S1604-G1686 PolarHBondContact O-N 3.45Å; S1604-G1686 VanDerWaalsContact O-N 3.11Å; L1684-G1686 PolarHBondContact O-N 2.99Å; L1684-G1686 VanDerWaalsContact O-N 3.1Å |
| 1687 | L | 75.1 | Confident | 67.3 | Low | 0 Ų | 0 | 70.8 Ų | 70.8 | 0% | 0 | 42% | 0.416 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -128.9 | -4.4 | 169.7 | -66 | 180 | 0 | 0 | 0 | 111.7 | V1605 V1683 L1684 P1685 N1689 D1690 P1693 E1697 L1700 | V1605-L1687 HydrophobicContact CG1-CD2 3.84Å; V1683-L1687 HydrophobicContact CG1-CB 4.08Å; L1684-L1687 HydrophobicContact CB-CB 4.33Å; L1684-L1687 HydrophobicContact CB-CD1 4.24Å; L1684-L1687 HydrophobicContact CB-CG 4.26Å; L1684-L1687 HydrophobicContact CD1-CD1 4.06Å; L1684-L1687 PolarHBondContact O-N 2.7Å; P1685-L1687 VanDerWaalsContact C-N 3.31Å; L1687-N1689 PolarHBondContact O-N 2.8Å; L1687-D1690 PolarHBondContact O-N 3Å; L1687-P1693 HydrophobicContact CB-CB 4.23Å; L1687-P1693 WeakPolarHBondContact O-CB 3.39Å; L1687-E1697 HydrophobicContact CD1-CB 3.45Å; L1687-E1697 VanDerWaalsContact CD1-CB 3.45Å; L1687-E1697 HydrophobicContact CD1-CG 3.76Å; L1687-L1700 HydrophobicContact CD2-CD1 4.22Å |
| 1688 | A | 71.4 | Confident | 69.8 | Low | 57 Ų | 57 | 67.6 Ų | 67.6 | 47% | 0.471 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -24.4 | -167.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | L1684 | L1684-A1688 PolarHBondContact O-N 2.84Š|
| 1689 | N | 69.5 | Low | 72.3 | Confident | 98 Ų | 98 | 63.5 Ų | 63.5 | 52% | 0.524 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | -5.1 | -178.6 | -63.7 | -16.8 | 0 | 0 | 0 | 113.9 | Q1585 M1587 L1687 | Q1585-N1689 HydrophobicContact CB-CB 4.19Å; Q1585-N1689 WeakPolarHBondContact O-CB 3.3Å; M1587-N1689 PolarHBondContact SD-ND2 2.92Å; M1587-N1689 VanDerWaalsContact SD-ND2 3.36Å; L1687-N1689 PolarHBondContact O-N 2.8Å |
| 1690 | D | 63.2 | Low | 74.5 | Confident | 27 Ų | 27 | 56.9 Ų | 56.9 | 14% | 0.144 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -70.5 | 146.5 | 176.7 | -85.4 | -40.1 | 0 | 0 | 0 | 111.6 | Q1585 L1687 S1692 P1693 H1696 | Q1585-D1690 VanDerWaalsContact CG-CG 3.46Å; Q1585-D1690 WeakPolarHBondContact CG-OD1 3.43Å; Q1585-D1690 VanDerWaalsContact CG-OD2 3.31Å; Q1585-D1690 WeakPolarHBondContact CG-OD2 3.38Å; Q1585-D1690 PolarHBondContact NE2-OD2 3.06Å; L1687-D1690 PolarHBondContact O-N 3Å; D1690-S1692 PolarHBondContact O-N 3.46Å; D1690-P1693 HydrophobicContact CB-CB 4.04Å; D1690-P1693 WeakPolarHBondContact O-CD 2.86Å; D1690-H1696 IonicContact OD2-CD2 3.03Å; D1690-H1696 PolarHBondContact OD2-CD2 3.07Å; D1690-H1696 IonicContact OD2-CG 2.69Å |
| 1691 | S | 72.2 | Confident | 76.4 | Confident | 128 Ų | 128 | 48.1 Ų | 48.1 | 90% | 0.895 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -62.9 | -26.2 | 178.9 | 63 | 0 | 0 | 0 | 0 | 113.7 | ||
| 1692 | S | 76.7 | Confident | 77.6 | Confident | 50 Ų | 50 | 47.7 Ų | 47.7 | 35% | 0.35 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -142.5 | 68 | 179.7 | 59.8 | 0 | 0 | 0 | 0 | 110 | D1690 L1694 E1695 H1696 | D1690-S1692 PolarHBondContact O-N 3.46Å; S1692-L1694 PolarHBondContact O-N 3.14Å; S1692-E1695 PolarHBondContact O-N 3.47Å; S1692-E1695 VanDerWaalsContact O-N 3.12Å; S1692-H1696 PolarHBondContact O-N 2.76Å |
| 1693 | P | 78.3 | Confident | 78.4 | Confident | 26 Ų | 26 | 48.8 Ų | 48.8 | 17% | 0.169 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -70.5 | -32.9 | -160.6 | 29 | -34.7 | 0 | 0 | 0 | 112.9 | V1683 L1687 D1690 H1696 E1697 | V1683-P1693 HydrophobicContact CB-CG 4.47Å; V1683-P1693 HydrophobicContact CG1-CB 3.48Å; V1683-P1693 VanDerWaalsContact CG1-CB 3.48Å; V1683-P1693 HydrophobicContact CG1-CG 3.79Å; V1683-P1693 HydrophobicContact CG2-CB 4.39Å; V1683-P1693 HydrophobicContact CG2-CG 3.79Å; L1687-P1693 HydrophobicContact CB-CB 4.23Å; L1687-P1693 WeakPolarHBondContact O-CB 3.39Å; D1690-P1693 HydrophobicContact CB-CB 4.04Å; D1690-P1693 WeakPolarHBondContact O-CD 2.86Å; P1693-H1696 PolarHBondContact O-N 3.42Å; P1693-E1697 VanDerWaalsContact O-CB 3.3Å; P1693-E1697 WeakPolarHBondContact O-CB 3.49Å; P1693-E1697 PolarHBondContact O-N 3.21Å |
| 1694 | L | 79.9 | Confident | 78.8 | Confident | 53 Ų | 53 | 46.6 Ų | 46.6 | 28% | 0.277 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -70.3 | -31 | 175.1 | -64.9 | 169.9 | 0 | 0 | 0 | 112.9 | F1681 S1692 A1698 L1749 | F1681-L1694 HydrophobicContact CB-CD1 3.84Å; F1681-L1694 HydrophobicContact CG-CD1 4.34Å; S1692-L1694 PolarHBondContact O-N 3.14Å; L1694-A1698 WeakPolarHBondContact O-CB 3.16Å; L1694-A1698 PolarHBondContact O-N 3.31Å; L1694-L1749 HydrophobicContact CD2-CD2 3.77Å |
| 1695 | E | 80.1 | Confident | 79 | Confident | 101 Ų | 101 | 47 Ų | 47 | 47% | 0.472 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -72.6 | -42.1 | 174.7 | -64.7 | -162.9 | 178.2 | 0 | 0 | 110.6 | S1692 A1698 D1699 R1746 | S1692-E1695 PolarHBondContact O-N 3.47Å; S1692-E1695 VanDerWaalsContact O-N 3.12Å; E1695-A1698 WeakPolarHBondContact O-CB 3.45Å; E1695-A1698 PolarHBondContact O-N 2.81Å; E1695-D1699 PolarHBondContact O-N 2.96Å; E1695-R1746 IonicContact OE1-NH1 3.96Å; E1695-R1746 IonicContact OE2-CZ 3.96Å; E1695-R1746 IonicContact OE2-NH1 2.79Å; E1695-R1746 PolarHBondContact OE2-NH1 3.5Å; E1695-R1746 IonicContact OE2-NH2 3.81Å |
| 1696 | H | 80.6 | Confident | 79.5 | Confident | 41 Ų | 41 | 45.1 Ų | 45.1 | 19% | 0.19 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.6 | -41.4 | 175.4 | -162.2 | 70.1 | 0 | 0 | 0 | 111.2 | E1584 D1690 S1692 P1693 A1698 D1699 L1700 | E1584-H1696 IonicContact OE2-CE1 2.76Å; D1690-H1696 IonicContact OD2-CD2 3.03Å; D1690-H1696 PolarHBondContact OD2-CD2 3.07Å; D1690-H1696 IonicContact OD2-CG 2.69Å; S1692-H1696 PolarHBondContact O-N 2.76Å; P1693-H1696 PolarHBondContact O-N 3.42Å; H1696-A1698 VanDerWaalsContact C-N 3.34Å; H1696-A1698 PolarHBondContact O-N 2.98Å; H1696-D1699 PolarHBondContact O-N 3.24Å; H1696-L1700 WeakPolarHBondContact O-CG 3.18Å; H1696-L1700 PolarHBondContact O-N 3.36Å |
| 1697 | E | 86.6 | Confident | 80.2 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -55.8 | -47.7 | 171.2 | -166.5 | 178.1 | 158.4 | 0 | 0 | 111.2 | A1606 R1632 L1684 L1687 P1693 D1699 L1700 V1701 L1749 Y1753 | A1606-E1697 HydrophobicContact CB-CG 4.22Å; R1632-E1697 IonicContact CZ-OE1 2.99Å; R1632-E1697 IonicContact CZ-OE2 2.74Å; R1632-E1697 IonicContact NE-OE1 3.72Å; R1632-E1697 PolarHBondContact NE-OE1 3.48Å; R1632-E1697 IonicContact NE-OE2 2.64Å; R1632-E1697 IonicContact NH2-OE1 3.52Å; R1632-E1697 PolarHBondContact NH2-OE1 2.89Å; R1632-E1697 VanDerWaalsContact NH2-OE1 3.13Å; R1632-E1697 IonicContact NH2-OE2 2.68Å; R1632-E1697 PolarHBondContact NH2-OE2 3.44Å; L1684-E1697 HydrophobicContact CD1-CG 3.89Å; L1687-E1697 HydrophobicContact CD1-CB 3.45Å; L1687-E1697 VanDerWaalsContact CD1-CB 3.45Å; L1687-E1697 HydrophobicContact CD1-CG 3.76Å; P1693-E1697 VanDerWaalsContact O-CB 3.3Å; P1693-E1697 WeakPolarHBondContact O-CB 3.49Å; P1693-E1697 PolarHBondContact O-N 3.21Å; E1697-D1699 PolarHBondContact O-N 3.5Å; E1697-L1700 PolarHBondContact O-N 2.95Å; E1697-V1701 WeakPolarHBondContact O-CB 3.01Å; E1697-V1701 VanDerWaalsContact O-CG2 3.25Å; E1697-V1701 WeakPolarHBondContact O-CG2 3.05Å; E1697-V1701 PolarHBondContact O-N 3.36Å; E1697-L1749 HydrophobicContact CB-CD1 4.26Å; E1697-L1749 HydrophobicContact CG-CD1 4.02Å; E1697-L1749 HydrophobicContact CG-CD2 4.46Å; E1697-Y1753 HydrophobicContact CG-CE2 4.24Å; E1697-Y1753 WeakPolarHBondContact OE1-CE2 3.46Å; E1697-Y1753 PolarHBondContact OE1-OH 3.39Å |
| 1698 | A | 84.4 | Confident | 80.5 | Confident | 16 Ų | 16 | 47.3 Ų | 47.3 | 13% | 0.132 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.7 | -43.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L1694 E1695 H1696 Q1702 L1749 L1752 | L1694-A1698 WeakPolarHBondContact O-CB 3.16Å; L1694-A1698 PolarHBondContact O-N 3.31Å; E1695-A1698 WeakPolarHBondContact O-CB 3.45Å; E1695-A1698 PolarHBondContact O-N 2.81Å; H1696-A1698 VanDerWaalsContact C-N 3.34Å; H1696-A1698 PolarHBondContact O-N 2.98Å; A1698-Q1702 VanDerWaalsContact O-CB 3.26Å; A1698-Q1702 WeakPolarHBondContact O-CB 3.47Å; A1698-Q1702 PolarHBondContact O-N 2.66Å; A1698-L1749 HydrophobicContact CB-CD1 3.86Å; A1698-L1752 HydrophobicContact CB-CD1 3.99Å |
| 1699 | D | 84.5 | Confident | 80.6 | Confident | 71 Ų | 71 | 47.7 Ų | 47.7 | 38% | 0.38 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -66.3 | -42.1 | 179.5 | -72.9 | -17.5 | 0 | 0 | 0 | 111.4 | E1695 H1696 E1697 Q1702 Q1703 R1746 | E1695-D1699 PolarHBondContact O-N 2.96Å; H1696-D1699 PolarHBondContact O-N 3.24Å; E1697-D1699 PolarHBondContact O-N 3.5Å; D1699-Q1702 PolarHBondContact O-N 2.77Å; D1699-Q1703 WeakPolarHBondContact O-CB 3.5Å; D1699-Q1703 PolarHBondContact O-N 3.28Å; D1699-R1746 IonicContact OD2-NH2 3.9Å |
| 1700 | L | 85.9 | Confident | 80.4 | Confident | 16 Ų | 16 | 48 Ų | 48 | 8% | 0.084 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -65.9 | -43.1 | 176.2 | -70.2 | 178.1 | 0 | 0 | 0 | 112.4 | V1605 A1606 L1607 L1687 H1696 E1697 Q1703 S1704 | V1605-L1700 HydrophobicContact CG1-CD1 4.22Å; V1605-L1700 WeakPolarHBondContact O-CD1 3.47Å; A1606-L1700 HydrophobicContact CB-CB 4.38Å; L1607-L1700 HydrophobicContact CD2-CD2 3.97Å; L1687-L1700 HydrophobicContact CD2-CD1 4.22Å; H1696-L1700 WeakPolarHBondContact O-CG 3.18Å; H1696-L1700 PolarHBondContact O-N 3.36Å; E1697-L1700 PolarHBondContact O-N 2.95Å; L1700-Q1703 WeakPolarHBondContact O-CB 3.29Å; L1700-Q1703 PolarHBondContact O-N 3.29Å; L1700-S1704 WeakPolarHBondContact O-CB 3.14Å; L1700-S1704 PolarHBondContact O-N 2.86Å |
| 1701 | V | 88 | Confident | 79.8 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.8 | -43.4 | 175.6 | 173.6 | 0 | 0 | 0 | 0 | 110.5 | A1606 Y1608 E1697 Q1703 S1704 L1705 L1752 Y1753 L1756 | A1606-V1701 HydrophobicContact CB-CG2 4Å; Y1608-V1701 HydrophobicContact CD2-CG2 4.4Å; Y1608-V1701 HydrophobicContact CE2-CG2 4.04Å; E1697-V1701 WeakPolarHBondContact O-CB 3.01Å; E1697-V1701 VanDerWaalsContact O-CG2 3.25Å; E1697-V1701 WeakPolarHBondContact O-CG2 3.05Å; E1697-V1701 PolarHBondContact O-N 3.36Å; V1701-Q1703 VanDerWaalsContact C-N 3.3Å; V1701-Q1703 PolarHBondContact O-N 2.97Å; V1701-S1704 WeakPolarHBondContact CA-OG 3.25Å; V1701-S1704 PolarHBondContact O-N 3.37Å; V1701-S1704 PolarHBondContact O-OG 3.34Å; V1701-L1705 HydrophobicContact CG1-CD1 4.22Å; V1701-L1705 WeakPolarHBondContact O-CB 3.12Å; V1701-L1705 PolarHBondContact O-N 3.41Å; V1701-L1752 HydrophobicContact CG1-CB 3.87Å; V1701-Y1753 HydrophobicContact CG2-CD2 4.42Å; V1701-Y1753 HydrophobicContact CG2-CE1 4.49Å; V1701-Y1753 HydrophobicContact CG2-CE2 3.72Å; V1701-L1756 HydrophobicContact CG1-CB 4.29Å; V1701-L1756 HydrophobicContact CG1-CD2 4.15Å |
| 1702 | Q | 86.3 | Confident | 78.2 | Confident | 99 Ų | 99 | 48 Ų | 48 | 46% | 0.463 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.2 | -39.2 | 176.4 | -176.1 | 170.4 | -25.9 | 0 | 0 | 111.8 | A1698 D1699 S1706 L1752 | A1698-Q1702 VanDerWaalsContact O-CB 3.26Å; A1698-Q1702 WeakPolarHBondContact O-CB 3.47Å; A1698-Q1702 PolarHBondContact O-N 2.66Å; D1699-Q1702 PolarHBondContact O-N 2.77Å; Q1702-S1706 PolarHBondContact O-N 3.3Å; Q1702-S1706 VanDerWaalsContact O-N 3.07Å; Q1702-L1752 HydrophobicContact CB-CD1 4.5Å; Q1702-L1752 HydrophobicContact CB-CD2 4.42Å |
| 1703 | Q | 84 | Confident | 75.9 | Confident | 76 Ų | 76 | 54 Ų | 54 | 36% | 0.355 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63.4 | -46.6 | 173.2 | -172.1 | 176.3 | 19.2 | 0 | 0 | 111.3 | D1699 L1700 V1701 L1705 S1706 N1707 | D1699-Q1703 WeakPolarHBondContact O-CB 3.5Å; D1699-Q1703 PolarHBondContact O-N 3.28Å; L1700-Q1703 WeakPolarHBondContact O-CB 3.29Å; L1700-Q1703 PolarHBondContact O-N 3.29Å; V1701-Q1703 VanDerWaalsContact C-N 3.3Å; V1701-Q1703 PolarHBondContact O-N 2.97Å; Q1703-L1705 VanDerWaalsContact C-N 3.34Å; Q1703-L1705 PolarHBondContact O-N 3.42Å; Q1703-S1706 PolarHBondContact O-N 3.47Å; Q1703-S1706 VanDerWaalsContact O-N 3.12Å; Q1703-S1706 PolarHBondContact O-OG 2.84Å; Q1703-N1707 PolarHBondContact O-N 3.47Å |
| 1704 | S | 87.2 | Confident | 73.6 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -60.6 | -42.3 | 179.3 | 74.6 | 0 | 0 | 0 | 0 | 112.1 | L1700 V1701 S1706 N1707 L1708 | L1700-S1704 WeakPolarHBondContact O-CB 3.14Å; L1700-S1704 PolarHBondContact O-N 2.86Å; V1701-S1704 WeakPolarHBondContact CA-OG 3.25Å; V1701-S1704 PolarHBondContact O-N 3.37Å; V1701-S1704 PolarHBondContact O-OG 3.34Å; S1704-S1706 PolarHBondContact O-N 3.2Å; S1704-N1707 PolarHBondContact O-N 3.32Å; S1704-L1708 WeakPolarHBondContact O-CB 3.4Å; S1704-L1708 VanDerWaalsContact O-CG 3.26Å; S1704-L1708 WeakPolarHBondContact O-CG 3.34Å; S1704-L1708 PolarHBondContact O-N 3.28Å |
| 1705 | L | 84.9 | Confident | 71.2 | Confident | 25 Ų | 25 | 67.6 Ų | 67.6 | 13% | 0.131 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -58 | -46.2 | 172.7 | -89 | 165.4 | 0 | 0 | 0 | 111.7 | V1701 Q1703 A1709 L1752 R1755 L1756 T1759 | V1701-L1705 HydrophobicContact CG1-CD1 4.22Å; V1701-L1705 WeakPolarHBondContact O-CB 3.12Å; V1701-L1705 PolarHBondContact O-N 3.41Å; Q1703-L1705 VanDerWaalsContact C-N 3.34Å; Q1703-L1705 PolarHBondContact O-N 3.42Å; L1705-A1709 WeakPolarHBondContact O-CB 3.44Å; L1705-A1709 PolarHBondContact O-N 3.04Å; L1705-L1752 HydrophobicContact CD1-CD2 4.12Å; L1705-R1755 HydrophobicContact CD1-CB 4.17Å; L1705-R1755 HydrophobicContact CD2-CB 4.27Å; L1705-L1756 HydrophobicContact CD1-CB 4.47Å; L1705-L1756 HydrophobicContact CD2-CB 4.31Å; L1705-L1756 HydrophobicContact CD2-CD1 4.32Å; L1705-L1756 HydrophobicContact CG-CB 4.26Å; L1705-L1756 HydrophobicContact CG-CD1 4.12Å; L1705-T1759 HydrophobicContact CD2-CG2 4.45Å; L1705-T1759 WeakPolarHBondContact CD2-OG1 3.41Å |
| 1706 | S | 82.5 | Confident | 68.8 | Low | 60 Ų | 60 | 69.8 Ų | 69.8 | 42% | 0.42 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -64.2 | -41.9 | 178.6 | 74.7 | 0 | 0 | 0 | 0 | 112.3 | Q1702 Q1703 S1704 A1709 T1710 | Q1702-S1706 PolarHBondContact O-N 3.3Å; Q1702-S1706 VanDerWaalsContact O-N 3.07Å; Q1703-S1706 PolarHBondContact O-N 3.47Å; Q1703-S1706 VanDerWaalsContact O-N 3.12Å; Q1703-S1706 PolarHBondContact O-OG 2.84Å; S1704-S1706 PolarHBondContact O-N 3.2Å; S1706-A1709 PolarHBondContact O-N 3.24Å; S1706-T1710 WeakPolarHBondContact O-CG2 3.22Å; S1706-T1710 PolarHBondContact O-N 2.79Å; S1706-T1710 VanDerWaalsContact O-N 3.09Å; S1706-T1710 PolarHBondContact O-OG1 3.39Å |
| 1707 | N | 83 | Confident | 66.2 | Low | 40 Ų | 40 | 71 Ų | 71 | 21% | 0.214 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -67.1 | -46.3 | 179.3 | -71 | -16.1 | 0 | 0 | 0 | 111.2 | D1609 Q1703 S1704 A1709 T1710 L1711 | D1609-N1707 HydrophobicContact CB-CB 4.04Å; D1609-N1707 WeakPolarHBondContact OD2-CB 3.29Å; D1609-N1707 PolarHBondContact OD2-ND2 2.63Å; Q1703-N1707 PolarHBondContact O-N 3.47Å; S1704-N1707 PolarHBondContact O-N 3.32Å; N1707-A1709 VanDerWaalsContact C-N 3.26Å; N1707-A1709 PolarHBondContact O-N 3.4Å; N1707-T1710 PolarHBondContact O-N 3.4Å; N1707-T1710 PolarHBondContact O-OG1 3.19Å; N1707-L1711 WeakPolarHBondContact O-CD1 3.48Å; N1707-L1711 WeakPolarHBondContact O-CG 3.35Å; N1707-L1711 PolarHBondContact O-N 2.9Å |
| 1708 | L | 82.2 | Confident | 63.3 | Low | 9 Ų | 9 | 78.6 Ų | 78.6 | 5% | 0.047 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -61 | -35 | 177 | -73.3 | 168.9 | 0 | 0 | 0 | 112.2 | D1609 V1612 S1704 L1756 T1759 V1760 | D1609-L1708 HydrophobicContact CB-CD1 4.4Å; D1609-L1708 HydrophobicContact CB-CD2 4.25Å; D1609-L1708 HydrophobicContact CB-CG 3.86Å; V1612-L1708 HydrophobicContact CB-CD2 4.13Å; V1612-L1708 HydrophobicContact CG1-CD2 3.99Å; V1612-L1708 HydrophobicContact CG2-CD2 4.36Å; S1704-L1708 WeakPolarHBondContact O-CB 3.4Å; S1704-L1708 VanDerWaalsContact O-CG 3.26Å; S1704-L1708 WeakPolarHBondContact O-CG 3.34Å; S1704-L1708 PolarHBondContact O-N 3.28Å; L1708-L1756 HydrophobicContact CD1-CD1 3.91Å; L1708-T1759 HydrophobicContact CB-CG2 4.26Å; L1708-V1760 HydrophobicContact CD1-CG2 3.82Å |
| 1709 | A | 71.8 | Confident | 60.6 | Low | 65 Ų | 65 | 85.6 Ų | 85.6 | 54% | 0.537 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -70.6 | -38.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113 | L1705 S1706 N1707 | L1705-A1709 WeakPolarHBondContact O-CB 3.44Å; L1705-A1709 PolarHBondContact O-N 3.04Å; S1706-A1709 PolarHBondContact O-N 3.24Å; N1707-A1709 VanDerWaalsContact C-N 3.26Å; N1707-A1709 PolarHBondContact O-N 3.4Å |
| 1710 | T | 66.3 | Low | 57.7 | Low | 105 Ų | 105 | 85.3 Ų | 85.3 | 64% | 0.644 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -74.1 | -23.1 | -179.2 | 55.3 | 0 | 0 | 0 | 0 | 114.7 | S1706 N1707 S1712 | S1706-T1710 WeakPolarHBondContact O-CG2 3.22Å; S1706-T1710 PolarHBondContact O-N 2.79Å; S1706-T1710 VanDerWaalsContact O-N 3.09Å; S1706-T1710 PolarHBondContact O-OG1 3.39Å; N1707-T1710 PolarHBondContact O-N 3.4Å; N1707-T1710 PolarHBondContact O-OG1 3.19Å; T1710-S1712 PolarHBondContact O-N 3.17Å; T1710-S1712 VanDerWaalsContact O-N 3.1Å |
| 1711 | L | 50 | Low | 54.9 | Low | 74 Ų | 74 | 91.7 Ų | 91.7 | 39% | 0.387 | 53% | 0.526 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | 19.1 | -172.2 | -79.7 | 161 | 0 | 0 | 0 | 115 | N1707 | N1707-L1711 WeakPolarHBondContact O-CD1 3.48Å; N1707-L1711 WeakPolarHBondContact O-CG 3.35Å; N1707-L1711 PolarHBondContact O-N 2.9Å |
| 1712 | S | 39.2 | Very low | 52 | Low | 80 Ų | 80 | 99.2 Ų | 99.2 | 56% | 0.559 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.1 | 14.3 | -174.9 | 74 | 0 | 0 | 0 | 0 | 116 | T1710 | T1710-S1712 PolarHBondContact O-N 3.17Å; T1710-S1712 VanDerWaalsContact O-N 3.1Å |
| 1713 | F | 28.5 | Very low | 49.1 | Very low | 177 Ų | 177 | 103.1 Ų | 103.1 | 78% | 0.776 | 59% | 0.588 | S | S | * | * | trans | -126.4 | 149 | 175.8 | -70.7 | -84.2 | 0 | 0 | 0 | 111.4 | ||||
| 1714 | D | 29 | Very low | 46.4 | Very low | 160 Ų | 160 | 103.1 Ų | 103.1 | 86% | 0.856 | 61% | 0.609 | S | S | * | * | trans | 91.5 | 51.6 | 176 | -55.9 | -17.8 | 0 | 0 | 0 | 118.4 | ||||
| 1715 | K | 29.1 | Very low | 43.5 | Very low | 205 Ų | 205 | 107.6 Ų | 107.6 | 89% | 0.891 | 65% | 0.646 | S | S | * | * | trans | -146.1 | 73.7 | 147.8 | -79.6 | -165 | -178.8 | 172.2 | 0 | 111.9 | ||||
| 1716 | V | 29.6 | Very low | 40.6 | Very low | 146 Ų | 146 | 113.1 Ų | 113.1 | 89% | 0.885 | 67% | 0.674 | S | S | * | * | trans | -142.4 | 114.3 | 153.7 | -178.5 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1717 | G | 27.6 | Very low | 37.9 | Very low | 66 Ų | 66 | 118.9 Ų | 118.9 | 68% | 0.68 | 69% | 0.694 | S | S | * | * | trans | -59.8 | 140.1 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | D1719 | G1717-D1719 PolarHBondContact O-N 2.82Š| ||
| 1718 | N | 25.3 | Very low | 35.2 | Very low | 161 Ų | 161 | 126.6 Ų | 126.6 | 86% | 0.861 | 73% | 0.726 | S | S | * | * | trans | -47.8 | 93.2 | 173.7 | -163.4 | 36.1 | 0 | 0 | 0 | 112.2 | ||||
| 1719 | D | 26.5 | Very low | 32.4 | Very low | 163 Ų | 163 | 131.5 Ų | 131.5 | 87% | 0.872 | 76% | 0.761 | S | S | * | * | trans | -133.5 | 113.3 | 157.5 | -88.7 | -31.6 | 0 | 0 | 0 | 108 | G1717 | G1717-D1719 PolarHBondContact O-N 2.82Š| ||
| 1720 | G | 25.2 | Very low | 30.3 | Very low | 64 Ų | 64 | 132.9 Ų | 132.9 | 66% | 0.66 | 77% | 0.767 | S | S | * | * | trans | -73.5 | 167.2 | -170.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1721 | D | 27.1 | Very low | 28.3 | Very low | 151 Ų | 151 | 133.8 Ų | 133.8 | 81% | 0.807 | 78% | 0.778 | S | S | * | * | S | Bend | trans | 72.8 | 77 | 157.9 | -57.3 | -15.6 | 0 | 0 | 0 | 117.6 | ||
| 1722 | N | 26 | Very low | 27.2 | Very low | 157 Ų | 157 | 137.2 Ų | 137.2 | 84% | 0.84 | 80% | 0.795 | S | S | * | * | 151.4 | 79.7 | 120.2 | -79 | -50.8 | 0 | 0 | 0 | 111.7 | |||||
| 1723 | I | 26.2 | Very low | 26.6 | Very low | 181 Ų | 181 | 142.5 Ų | 142.5 | 93% | 0.928 | 81% | 0.808 | S | S | * | * | trans | -114.9 | 82.7 | 160 | -57.4 | 177.7 | 0 | 0 | 0 | 107 | ||||
| 1724 | G | 27 | Very low | 26.5 | Very low | 77 Ų | 77 | 141.1 Ų | 141.1 | 79% | 0.794 | 81% | 0.808 | S | S | * | * | trans | -143.7 | 48.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1725 | A | 25.7 | Very low | 26.3 | Very low | 93 Ų | 93 | 137.9 Ų | 137.9 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -168 | 37.2 | 168.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 1726 | I | 25.5 | Very low | 26.2 | Very low | 142 Ų | 142 | 133.5 Ų | 133.5 | 73% | 0.728 | 79% | 0.786 | S | S | * | * | trans | -142.8 | 72.4 | 162.6 | -51.7 | 178.8 | 0 | 0 | 0 | 108.9 | ||||
| 1727 | E | 25.3 | Very low | 26.1 | Very low | 180 Ų | 180 | 136.5 Ų | 136.5 | 84% | 0.841 | 78% | 0.783 | S | S | * | * | trans | -118.5 | 19.2 | 175.2 | -137.4 | -176.4 | -154.1 | 0 | 0 | 112.6 | ||||
| 1728 | K | 25.9 | Very low | 26.1 | Very low | 202 Ų | 202 | 142 Ų | 142 | 88% | 0.878 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -132.6 | 68.6 | 178.8 | -70.8 | -173.3 | 178.7 | 177.2 | 0 | 112.3 | ||
| 1729 | S | 24.4 | Very low | 26.3 | Very low | 112 Ų | 112 | 139.6 Ų | 139.6 | 78% | 0.783 | 79% | 0.786 | S | S | * | * | trans | -176 | 57.4 | 151.4 | 33.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1730 | S | 26.5 | Very low | 26.4 | Very low | 95 Ų | 95 | 139 Ų | 139 | 66% | 0.664 | 78% | 0.782 | S | S | * | * | trans | -122.1 | 76.1 | 173.8 | 49.1 | 0 | 0 | 0 | 0 | 110.3 | L1732 | S1730-L1732 PolarHBondContact O-N 3.19Š| ||
| 1731 | S | 24.6 | Very low | 26.6 | Very low | 124 Ų | 124 | 146.5 Ų | 146.5 | 87% | 0.867 | 79% | 0.793 | S | S | * | * | trans | -82.6 | 64.2 | 159.3 | 47.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1732 | L | 26.4 | Very low | 26.9 | Very low | 146 Ų | 146 | 147.1 Ų | 147.1 | 76% | 0.764 | 80% | 0.796 | S | S | * | * | trans | -139.5 | 64.4 | 162 | -104.8 | 160.9 | 0 | 0 | 0 | 106.5 | S1730 I1734 | S1730-L1732 PolarHBondContact O-N 3.19Å; L1732-I1734 PolarHBondContact O-N 3.43Å | ||
| 1733 | K | 26.1 | Very low | 27.1 | Very low | 190 Ų | 190 | 149.6 Ų | 149.6 | 83% | 0.826 | 80% | 0.795 | S | S | * | * | trans | -70.6 | 86.8 | 167.3 | -81.5 | -176.7 | 175.2 | 179.2 | 0 | 107.7 | V1735 | K1733-V1735 HydrophobicContact CB-CG2 4.48Å; K1733-V1735 PolarHBondContact O-N 3.21Å | ||
| 1734 | I | 28 | Very low | 27.6 | Very low | 149 Ų | 149 | 146.4 Ų | 146.4 | 76% | 0.764 | 79% | 0.789 | S | S | * | * | trans | -68.5 | 94.5 | 155.9 | -59.5 | 173.9 | 0 | 0 | 0 | 104.8 | L1732 P1736 | L1732-I1734 PolarHBondContact O-N 3.43Å; I1734-P1736 VanDerWaalsContact O-CD 3.25Å; I1734-P1736 WeakPolarHBondContact O-CD 3.44Å | ||
| 1735 | V | 25 | Very low | 28.5 | Very low | 91 Ų | 91 | 147.9 Ų | 147.9 | 55% | 0.552 | 79% | 0.787 | S | S | * | * | trans | -64.1 | 115.2 | 176.6 | 176.5 | 0 | 0 | 0 | 0 | 107.2 | K1733 Y1737 | K1733-V1735 HydrophobicContact CB-CG2 4.48Å; K1733-V1735 PolarHBondContact O-N 3.21Å; V1735-Y1737 HydrophobicContact CB-CD2 4.5Å; V1735-Y1737 HydrophobicContact CG1-CD2 4.18Å; V1735-Y1737 HydrophobicContact CG1-CE2 4.26Å; V1735-Y1737 PolarHBondContact O-N 2.82Å | ||
| 1736 | P | 27 | Very low | 29.6 | Very low | 113 Ų | 113 | 150.2 Ų | 150.2 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | trans | -71.7 | 100.2 | 172.8 | 26.5 | -23.1 | 0 | 0 | 0 | 106.8 | I1734 H1738 | I1734-P1736 VanDerWaalsContact O-CD 3.25Å; I1734-P1736 WeakPolarHBondContact O-CD 3.44Å; P1736-H1738 PolarHBondContact O-N 2.72Å; P1736-H1738 VanDerWaalsContact O-N 3.13Å | ||
| 1737 | Y | 27.5 | Very low | 31.5 | Very low | 210 Ų | 210 | 145.9 Ų | 145.9 | 82% | 0.824 | 76% | 0.757 | S | S | * | * | trans | -65.5 | 113.6 | 176.7 | -99.4 | -91.2 | 0 | 0 | 0 | 109 | V1735 S1739 | V1735-Y1737 HydrophobicContact CB-CD2 4.5Å; V1735-Y1737 HydrophobicContact CG1-CD2 4.18Å; V1735-Y1737 HydrophobicContact CG1-CE2 4.26Å; V1735-Y1737 PolarHBondContact O-N 2.82Å; Y1737-S1739 PolarHBondContact O-N 3.15Å | ||
| 1738 | H | 26.2 | Very low | 34 | Very low | 182 Ų | 182 | 140.8 Ų | 140.8 | 84% | 0.843 | 74% | 0.742 | S | S | * | * | trans | -47.7 | 123.9 | 168.9 | -85.3 | -80.3 | 0 | 0 | 0 | 110.3 | P1736 N1740 | P1736-H1738 PolarHBondContact O-N 2.72Å; P1736-H1738 VanDerWaalsContact O-N 3.13Å; H1738-N1740 PolarHBondContact O-N 3.24Å | ||
| 1739 | S | 30.3 | Very low | 36.7 | Very low | 110 Ų | 110 | 132.2 Ų | 132.2 | 77% | 0.769 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -59.3 | 86.8 | 175.3 | 55.2 | 0 | 0 | 0 | 0 | 111 | Y1737 | Y1737-S1739 PolarHBondContact O-N 3.15Š|
| 1740 | N | 28.6 | Very low | 39.5 | Very low | 149 Ų | 149 | 128.6 Ų | 128.6 | 80% | 0.797 | 68% | 0.679 | S | S | * | * | trans | -172.4 | 55.4 | 158.3 | -102.6 | -11.8 | 0 | 0 | 0 | 112.1 | H1738 | H1738-N1740 PolarHBondContact O-N 3.24Š| ||
| 1741 | Y | 29 | Very low | 42.2 | Very low | 222 Ų | 222 | 127.8 Ų | 127.8 | 87% | 0.871 | 67% | 0.665 | S | S | * | * | trans | -147.5 | 101 | 155.2 | -86.4 | -73.2 | 0 | 0 | 0 | 110.1 | Y1743 | Y1741-Y1743 PolarHBondContact O-N 2.95Š| ||
| 1742 | N | 33.1 | Very low | 45.2 | Very low | 165 Ų | 165 | 122.2 Ų | 122.2 | 88% | 0.882 | 63% | 0.626 | S | S | * | * | trans | -69.7 | 75.2 | 166.8 | -94.1 | -15.3 | 0 | 0 | 0 | 110.3 | ||||
| 1743 | Y | 30.9 | Very low | 48.3 | Very low | 209 Ų | 209 | 115.3 Ų | 115.3 | 82% | 0.82 | 59% | 0.589 | S | S | * | * | trans | -134.8 | 98.3 | 158.7 | -91.1 | -80.6 | 0 | 0 | 0 | 108.7 | Y1741 S1745 | Y1741-Y1743 PolarHBondContact O-N 2.95Å; Y1743-S1745 VanDerWaalsContact C-N 3.26Å; Y1743-S1745 PolarHBondContact O-N 3.43Å | ||
| 1744 | S | 37.2 | Very low | 51.2 | Low | 114 Ų | 114 | 108.6 Ų | 108.6 | 80% | 0.797 | 56% | 0.559 | S | S | * | * | trans | -63.2 | 79.6 | 173.6 | -47.6 | 0 | 0 | 0 | 0 | 110.6 | R1746 | S1744-R1746 PolarHBondContact O-N 2.82Š| ||
| 1745 | S | 45 | Very low | 54 | Low | 107 Ų | 107 | 106.5 Ų | 106.5 | 75% | 0.748 | 54% | 0.541 | S | S | * | . | trans | -72.8 | 82.9 | 158.5 | 66.6 | 0 | 0 | 0 | 0 | 107 | Y1743 C1747 | Y1743-S1745 VanDerWaalsContact C-N 3.26Å; Y1743-S1745 PolarHBondContact O-N 3.43Å; S1745-C1747 PolarHBondContact O-N 2.95Å | ||
| 1746 | R | 50.2 | Low | 57.1 | Low | 142 Ų | 142 | 102.1 Ų | 102.1 | 54% | 0.536 | 52% | 0.515 | S | S | . | . | trans | -51.9 | 115.4 | 171.4 | -79.8 | -179 | 163.3 | 178.3 | -9.8 | 107 | E1695 D1699 S1744 S1748 | E1695-R1746 IonicContact OE1-NH1 3.96Å; E1695-R1746 IonicContact OE2-CZ 3.96Å; E1695-R1746 IonicContact OE2-NH1 2.79Å; E1695-R1746 PolarHBondContact OE2-NH1 3.5Å; E1695-R1746 IonicContact OE2-NH2 3.81Å; D1699-R1746 IonicContact OD2-NH2 3.9Å; S1744-R1746 PolarHBondContact O-N 2.82Å; R1746-S1748 PolarHBondContact O-N 3.47Å | ||
| 1747 | C | 64.7 | Low | 60.1 | Low | 51 Ų | 51 | 96.8 Ų | 96.8 | 35% | 0.345 | 48% | 0.48 | S | S | . | . | trans | -59.6 | 136.7 | 171.8 | -77.1 | 0 | 0 | 0 | 0 | 107.6 | S1745 L1749 L1752 R1755 | S1745-C1747 PolarHBondContact O-N 2.95Å; C1747-L1749 PolarHBondContact O-N 3.01Å; C1747-L1752 HydrophobicContact CB-CD2 3.83Å; C1747-L1752 HydrophobicContact CB-CG 3.94Å; C1747-R1755 PolarHBondContact SG-NH1 3.41Å | ||
| 1748 | S | 77.2 | Confident | 62.9 | Low | 74 Ų | 74 | 90 Ų | 90 | 52% | 0.517 | 46% | 0.456 | S | S | . | . | trans | -60.1 | 140.5 | 177.4 | 57 | 0 | 0 | 0 | 0 | 110.1 | R1746 P1750 E1751 L1752 | R1746-S1748 PolarHBondContact O-N 3.47Å; S1748-P1750 VanDerWaalsContact C-N 3.31Å; S1748-P1750 VanDerWaalsContact O-N 3.15Å; S1748-E1751 VanDerWaalsContact O-CB 3.3Å; S1748-E1751 WeakPolarHBondContact O-CB 3.44Å; S1748-E1751 PolarHBondContact O-N 3.42Å; S1748-L1752 PolarHBondContact O-N 2.98Å | ||
| 1749 | L | 83.7 | Confident | 65.8 | Low | 21 Ų | 21 | 83.2 Ų | 83.2 | 11% | 0.11 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -47.4 | -42.3 | -179 | -174.3 | 67.8 | 0 | 0 | 0 | 114.6 | L1636 L1694 E1697 A1698 C1747 E1751 L1752 Y1753 | L1636-L1749 HydrophobicContact CD1-CD2 4.09Å; L1636-L1749 HydrophobicContact CD1-CG 3.92Å; L1636-L1749 HydrophobicContact CD2-CD2 3.95Å; L1694-L1749 HydrophobicContact CD2-CD2 3.77Å; E1697-L1749 HydrophobicContact CB-CD1 4.26Å; E1697-L1749 HydrophobicContact CG-CD1 4.02Å; E1697-L1749 HydrophobicContact CG-CD2 4.46Å; A1698-L1749 HydrophobicContact CB-CD1 3.86Å; C1747-L1749 PolarHBondContact O-N 3.01Å; L1749-E1751 VanDerWaalsContact C-N 3.31Å; L1749-E1751 PolarHBondContact O-N 2.74Å; L1749-L1752 WeakPolarHBondContact O-CB 3.44Å; L1749-L1752 PolarHBondContact O-N 3.41Å; L1749-Y1753 HydrophobicContact CD1-CD2 4.03Å; L1749-Y1753 HydrophobicContact CD1-CE2 3.88Å; L1749-Y1753 HydrophobicContact CG-CD2 4.15Å; L1749-Y1753 HydrophobicContact CG-CE2 4.26Å; L1749-Y1753 PolarHBondContact O-N 2.85Å; L1749-Y1753 VanDerWaalsContact O-N 3.13Å |
| 1750 | P | 82.5 | Confident | 68.5 | Low | 36 Ų | 36 | 78 Ų | 78 | 23% | 0.234 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -60.9 | -38.7 | 177 | -21.5 | 32.6 | 0 | 0 | 0 | 113.2 | L1636 S1748 L1752 Y1753 W1754 | L1636-P1750 HydrophobicContact CB-CB 4.33Å; L1636-P1750 HydrophobicContact CB-CG 4.24Å; S1748-P1750 VanDerWaalsContact C-N 3.31Å; S1748-P1750 VanDerWaalsContact O-N 3.15Å; P1750-L1752 VanDerWaalsContact C-N 3.35Å; P1750-Y1753 PolarHBondContact O-N 3.35Å; P1750-W1754 PolarHBondContact O-N 2.91Å; P1750-W1754 VanDerWaalsContact O-N 3.08Å |
| 1751 | E | 83.3 | Confident | 71.2 | Confident | 78 Ų | 78 | 71 Ų | 71 | 36% | 0.364 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -67 | -38.2 | 179.1 | -178.2 | 69.7 | -176.9 | 0 | 0 | 111.2 | S1748 L1749 R1755 | S1748-E1751 VanDerWaalsContact O-CB 3.3Å; S1748-E1751 WeakPolarHBondContact O-CB 3.44Å; S1748-E1751 PolarHBondContact O-N 3.42Å; L1749-E1751 VanDerWaalsContact C-N 3.31Å; L1749-E1751 PolarHBondContact O-N 2.74Å; E1751-R1755 VanDerWaalsContact CG-NH1 3.28Å; E1751-R1755 WeakPolarHBondContact O-CG 3.3Å; E1751-R1755 PolarHBondContact O-N 3.42Å; E1751-R1755 VanDerWaalsContact O-N 3.11Å; E1751-R1755 IonicContact OE1-CZ 3.22Å; E1751-R1755 IonicContact OE1-NE 3.75Å; E1751-R1755 IonicContact OE1-NH1 2.87Å; E1751-R1755 PolarHBondContact OE1-NH1 2.8Å; E1751-R1755 IonicContact OE1-NH2 3.16Å; E1751-R1755 PolarHBondContact OE1-NH2 3.2Å |
| 1752 | L | 87.5 | Confident | 73.5 | Confident | 8 Ų | 8 | 62.8 Ų | 62.8 | 4% | 0.042 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62.8 | -43.1 | 175.1 | -70.2 | 173.9 | 0 | 0 | 0 | 111.4 | A1698 V1701 Q1702 L1705 C1747 S1748 L1749 P1750 R1755 L1756 | A1698-L1752 HydrophobicContact CB-CD1 3.99Å; V1701-L1752 HydrophobicContact CG1-CB 3.87Å; Q1702-L1752 HydrophobicContact CB-CD1 4.5Å; Q1702-L1752 HydrophobicContact CB-CD2 4.42Å; L1705-L1752 HydrophobicContact CD1-CD2 4.12Å; C1747-L1752 HydrophobicContact CB-CD2 3.83Å; C1747-L1752 HydrophobicContact CB-CG 3.94Å; S1748-L1752 PolarHBondContact O-N 2.98Å; L1749-L1752 WeakPolarHBondContact O-CB 3.44Å; L1749-L1752 PolarHBondContact O-N 3.41Å; P1750-L1752 VanDerWaalsContact C-N 3.35Å; L1752-R1755 PolarHBondContact O-N 3.36Å; L1752-L1756 WeakPolarHBondContact O-CB 3.29Å; L1752-L1756 PolarHBondContact O-N 2.93Å |
| 1753 | Y | 90.4 | Very high | 75.8 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -66.2 | -40.6 | 178.5 | -96.3 | -80 | 0 | 0 | 0 | 113.3 | Y1608 I1629 R1632 C1633 L1636 E1697 V1701 L1749 P1750 R1755 L1756 L1757 | Y1608-Y1753 AromaticContact CE2-CE1 3.79Å; Y1608-Y1753 HydrophobicContact CE2-CE1 3.79Å; Y1608-Y1753 AromaticContact CE2-CZ 3.9Å; Y1608-Y1753 WeakPolarHBondContact CE2-OH 3.49Å; Y1608-Y1753 AromaticContact CZ-CE1 3.77Å; Y1608-Y1753 WeakPolarHBondContact OH-CE1 3.16Å; Y1608-Y1753 PolarHBondContact OH-OH 2.92Å; I1629-Y1753 HydrophobicContact CG2-CD1 4.16Å; R1632-Y1753 HydrophobicContact CB-CD1 3.98Å; R1632-Y1753 HydrophobicContact CB-CE1 3.7Å; R1632-Y1753 HydrophobicContact CG-CD1 3.91Å; R1632-Y1753 HydrophobicContact CG-CD2 4.26Å; R1632-Y1753 HydrophobicContact CG-CE1 3.46Å; R1632-Y1753 VanDerWaalsContact CG-CE1 3.46Å; R1632-Y1753 HydrophobicContact CG-CE2 3.81Å; R1632-Y1753 HydrophobicContact CG-CG 4.3Å; R1632-Y1753 VanDerWaalsContact CG-CZ 3.4Å; C1633-Y1753 PolarHBondContact SG-O 3.36Å; L1636-Y1753 HydrophobicContact CD1-CD2 3.5Å; L1636-Y1753 VanDerWaalsContact CD1-CD2 3.5Å; L1636-Y1753 HydrophobicContact CD1-CE2 4.03Å; L1636-Y1753 HydrophobicContact CD1-CG 4.06Å; E1697-Y1753 HydrophobicContact CG-CE2 4.24Å; E1697-Y1753 WeakPolarHBondContact OE1-CE2 3.46Å; E1697-Y1753 PolarHBondContact OE1-OH 3.39Å; V1701-Y1753 HydrophobicContact CG2-CD2 4.42Å; V1701-Y1753 HydrophobicContact CG2-CE1 4.49Å; V1701-Y1753 HydrophobicContact CG2-CE2 3.72Å; L1749-Y1753 HydrophobicContact CD1-CD2 4.03Å; L1749-Y1753 HydrophobicContact CD1-CE2 3.88Å; L1749-Y1753 HydrophobicContact CG-CD2 4.15Å; L1749-Y1753 HydrophobicContact CG-CE2 4.26Å; L1749-Y1753 PolarHBondContact O-N 2.85Å; L1749-Y1753 VanDerWaalsContact O-N 3.13Å; P1750-Y1753 PolarHBondContact O-N 3.35Å; Y1753-R1755 VanDerWaalsContact C-N 3.33Å; Y1753-R1755 PolarHBondContact O-N 3.39Å; Y1753-L1756 HydrophobicContact CD1-CD2 4.4Å; Y1753-L1756 HydrophobicContact CE1-CD2 4.32Å; Y1753-L1756 PolarHBondContact O-N 2.82Å; Y1753-L1757 WeakPolarHBondContact O-CB 3.49Å; Y1753-L1757 PolarHBondContact O-N 3.37Å |
| 1754 | W | 88.4 | Confident | 78.2 | Confident | 49 Ų | 49 | 49 Ų | 49 | 19% | 0.186 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.1 | -41.4 | 173.5 | -74.5 | 118.7 | 0 | 0 | 0 | 112.1 | C1633 P1750 L1757 E1758 I1793 P1804 | C1633-W1754 HydrophobicContact CB-CD2 4.28Å; C1633-W1754 HydrophobicContact CB-CE3 4.24Å; C1633-W1754 HydrophobicContact CB-CH2 3.92Å; C1633-W1754 HydrophobicContact CB-CZ2 3.95Å; C1633-W1754 HydrophobicContact CB-CZ3 4.07Å; P1750-W1754 PolarHBondContact O-N 2.91Å; P1750-W1754 VanDerWaalsContact O-N 3.08Å; W1754-L1757 HydrophobicContact CE3-CD2 4.04Å; W1754-L1757 HydrophobicContact CZ3-CD2 3.85Å; W1754-L1757 PolarHBondContact O-N 2.84Å; W1754-E1758 PolarHBondContact O-N 2.67Å; W1754-E1758 VanDerWaalsContact O-N 3.09Å; W1754-I1793 HydrophobicContact CH2-CD1 3.69Å; W1754-I1793 HydrophobicContact CH2-CG1 4Å; W1754-I1793 HydrophobicContact CH2-CG2 4.26Å; W1754-I1793 HydrophobicContact CZ3-CD1 3.61Å; W1754-I1793 HydrophobicContact CZ3-CG1 4.36Å; W1754-P1804 HydrophobicContact CE3-CG 3.91Å; W1754-P1804 HydrophobicContact CH2-CG 3.94Å; W1754-P1804 HydrophobicContact CZ3-CG 3.5Å |
| 1755 | R | 86.9 | Confident | 80 | Confident | 105 Ų | 105 | 43.8 Ų | 43.8 | 40% | 0.396 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -64.1 | -40.2 | 173.4 | -75.6 | -174.1 | 171.3 | 111.1 | 21.8 | 112.4 | L1705 C1747 E1751 L1752 Y1753 E1758 T1759 | L1705-R1755 HydrophobicContact CD1-CB 4.17Å; L1705-R1755 HydrophobicContact CD2-CB 4.27Å; C1747-R1755 PolarHBondContact SG-NH1 3.41Å; E1751-R1755 VanDerWaalsContact CG-NH1 3.28Å; E1751-R1755 WeakPolarHBondContact O-CG 3.3Å; E1751-R1755 PolarHBondContact O-N 3.42Å; E1751-R1755 VanDerWaalsContact O-N 3.11Å; E1751-R1755 IonicContact OE1-CZ 3.22Å; E1751-R1755 IonicContact OE1-NE 3.75Å; E1751-R1755 IonicContact OE1-NH1 2.87Å; E1751-R1755 PolarHBondContact OE1-NH1 2.8Å; E1751-R1755 IonicContact OE1-NH2 3.16Å; E1751-R1755 PolarHBondContact OE1-NH2 3.2Å; L1752-R1755 PolarHBondContact O-N 3.36Å; Y1753-R1755 VanDerWaalsContact C-N 3.33Å; Y1753-R1755 PolarHBondContact O-N 3.39Å; R1755-E1758 PolarHBondContact O-N 3.39Å; R1755-T1759 WeakPolarHBondContact O-CB 3.04Å; R1755-T1759 PolarHBondContact O-N 3.43Å; R1755-T1759 PolarHBondContact O-OG1 2.91Å |
| 1756 | L | 90 | Very high | 81.1 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64 | -46.9 | 177.6 | 179.9 | 70.7 | 0 | 0 | 0 | 110.7 | Y1608 I1629 V1701 L1705 L1708 L1752 Y1753 E1758 T1759 V1760 | Y1608-L1756 HydrophobicContact CD1-CD2 4.28Å; Y1608-L1756 HydrophobicContact CD2-CD2 3.28Å; Y1608-L1756 HydrophobicContact CE2-CD2 3.67Å; Y1608-L1756 HydrophobicContact CG-CD2 3.64Å; I1629-L1756 HydrophobicContact CD1-CD2 3.99Å; I1629-L1756 HydrophobicContact CD1-CG 4.15Å; I1629-L1756 HydrophobicContact CG1-CD2 4.09Å; I1629-L1756 HydrophobicContact CG2-CD2 4.24Å; I1629-L1756 HydrophobicContact CG2-CG 4.46Å; V1701-L1756 HydrophobicContact CG1-CB 4.29Å; V1701-L1756 HydrophobicContact CG1-CD2 4.15Å; L1705-L1756 HydrophobicContact CD1-CB 4.47Å; L1705-L1756 HydrophobicContact CD2-CB 4.31Å; L1705-L1756 HydrophobicContact CD2-CD1 4.32Å; L1705-L1756 HydrophobicContact CG-CB 4.26Å; L1705-L1756 HydrophobicContact CG-CD1 4.12Å; L1708-L1756 HydrophobicContact CD1-CD1 3.91Å; L1752-L1756 WeakPolarHBondContact O-CB 3.29Å; L1752-L1756 PolarHBondContact O-N 2.93Å; Y1753-L1756 HydrophobicContact CD1-CD2 4.4Å; Y1753-L1756 HydrophobicContact CE1-CD2 4.32Å; Y1753-L1756 PolarHBondContact O-N 2.82Å; L1756-E1758 VanDerWaalsContact C-N 3.32Å; L1756-E1758 PolarHBondContact O-N 3.05Å; L1756-T1759 PolarHBondContact O-N 2.82Å; L1756-V1760 HydrophobicContact CD1-CG2 3.89Å; L1756-V1760 HydrophobicContact CG-CG2 4.17Å; L1756-V1760 WeakPolarHBondContact O-CB 3.25Å; L1756-V1760 WeakPolarHBondContact O-CG2 3.07Å; L1756-V1760 PolarHBondContact O-N 2.84Å |
| 1757 | L | 90.4 | Very high | 81.4 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -57.4 | -46.5 | 177.4 | -177.3 | 62.3 | 0 | 0 | 0 | 111.3 | I1629 Y1753 W1754 L1761 A1789 I1793 W1806 | I1629-L1757 HydrophobicContact CB-CD1 4.35Å; I1629-L1757 HydrophobicContact CG2-CB 3.75Å; I1629-L1757 HydrophobicContact CG2-CD1 3.91Å; I1629-L1757 HydrophobicContact CG2-CG 4.4Å; Y1753-L1757 WeakPolarHBondContact O-CB 3.49Å; Y1753-L1757 PolarHBondContact O-N 3.37Å; W1754-L1757 HydrophobicContact CE3-CD2 4.04Å; W1754-L1757 HydrophobicContact CZ3-CD2 3.85Å; W1754-L1757 PolarHBondContact O-N 2.84Å; L1757-L1761 HydrophobicContact CD1-CD1 3.87Å; L1757-L1761 HydrophobicContact CD1-CG 4.15Å; L1757-L1761 HydrophobicContact CG-CD1 3.91Å; L1757-L1761 VanDerWaalsContact O-CB 3.28Å; L1757-L1761 WeakPolarHBondContact O-CB 3.49Å; L1757-L1761 VanDerWaalsContact O-CG 3.3Å; L1757-L1761 WeakPolarHBondContact O-CG 3.43Å; L1757-L1761 PolarHBondContact O-N 3Å; L1757-A1789 HydrophobicContact CD1-CB 4.22Å; L1757-I1793 HydrophobicContact CD2-CD1 4.19Å; L1757-W1806 HydrophobicContact CG-CH2 4.37Å |
| 1758 | E | 86.6 | Confident | 80.7 | Confident | 68 Ų | 68 | 37.4 Ų | 37.4 | 32% | 0.318 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -59.4 | -50.9 | 175.6 | -173.8 | 174.7 | -168.7 | 0 | 0 | 111 | W1754 R1755 L1756 V1760 L1761 T1762 W1806 | W1754-E1758 PolarHBondContact O-N 2.67Å; W1754-E1758 VanDerWaalsContact O-N 3.09Å; R1755-E1758 PolarHBondContact O-N 3.39Å; L1756-E1758 VanDerWaalsContact C-N 3.32Å; L1756-E1758 PolarHBondContact O-N 3.05Å; E1758-V1760 PolarHBondContact O-N 3.42Å; E1758-L1761 PolarHBondContact O-N 3.17Å; E1758-T1762 HydrophobicContact CG-CG2 4.26Å; E1758-T1762 WeakPolarHBondContact O-CG2 3Å; E1758-T1762 PolarHBondContact O-N 2.96Å; E1758-W1806 VanDerWaalsContact CA-CH2 3.47Å; E1758-W1806 HydrophobicContact CB-CE3 4.4Å; E1758-W1806 HydrophobicContact CB-CH2 3.65Å; E1758-W1806 HydrophobicContact CB-CZ2 3.83Å; E1758-W1806 HydrophobicContact CB-CZ3 3.95Å; E1758-W1806 HydrophobicContact CG-CD2 4.33Å; E1758-W1806 HydrophobicContact CG-CE3 3.96Å; E1758-W1806 HydrophobicContact CG-CH2 4.07Å; E1758-W1806 HydrophobicContact CG-CZ2 4.42Å; E1758-W1806 HydrophobicContact CG-CZ3 3.83Å |
| 1759 | T | 85.5 | Confident | 79.4 | Confident | 40 Ų | 40 | 40.2 Ų | 40.2 | 25% | 0.245 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.8 | -46.1 | -177.7 | -52.3 | 0 | 0 | 0 | 0 | 111.9 | L1705 L1708 R1755 L1756 T1762 R1763 | L1705-T1759 HydrophobicContact CD2-CG2 4.45Å; L1705-T1759 WeakPolarHBondContact CD2-OG1 3.41Å; L1708-T1759 HydrophobicContact CB-CG2 4.26Å; R1755-T1759 WeakPolarHBondContact O-CB 3.04Å; R1755-T1759 PolarHBondContact O-N 3.43Å; R1755-T1759 PolarHBondContact O-OG1 2.91Å; L1756-T1759 PolarHBondContact O-N 2.82Å; T1759-T1762 PolarHBondContact O-N 3.22Å; T1759-T1762 PolarHBondContact O-OG1 3.12Å; T1759-R1763 PolarHBondContact O-N 2.88Å |
| 1760 | V | 86.9 | Confident | 77.7 | Confident | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.006 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -67.9 | -44 | -179.6 | 174.9 | 0 | 0 | 0 | 0 | 111.2 | V1612 I1625 I1626 I1629 L1708 L1756 E1758 T1762 R1763 L1764 | V1612-V1760 HydrophobicContact CG2-CG1 4.16Å; V1612-V1760 HydrophobicContact CG2-CG2 4.4Å; I1625-V1760 HydrophobicContact CG2-CG1 4.16Å; I1626-V1760 HydrophobicContact CD1-CG1 3.75Å; I1629-V1760 HydrophobicContact CD1-CB 4.21Å; I1629-V1760 HydrophobicContact CD1-CG1 4.21Å; I1629-V1760 HydrophobicContact CD1-CG2 3.92Å; L1708-V1760 HydrophobicContact CD1-CG2 3.82Å; L1756-V1760 HydrophobicContact CD1-CG2 3.89Å; L1756-V1760 HydrophobicContact CG-CG2 4.17Å; L1756-V1760 WeakPolarHBondContact O-CB 3.25Å; L1756-V1760 WeakPolarHBondContact O-CG2 3.07Å; L1756-V1760 PolarHBondContact O-N 2.84Å; E1758-V1760 PolarHBondContact O-N 3.42Å; V1760-T1762 VanDerWaalsContact C-N 3.3Å; V1760-T1762 PolarHBondContact O-N 3.17Å; V1760-R1763 PolarHBondContact O-N 2.96Å; V1760-R1763 VanDerWaalsContact O-N 3.12Å; V1760-L1764 HydrophobicContact CG1-CD1 3.62Å; V1760-L1764 HydrophobicContact CG1-CG 4.27Å; V1760-L1764 PolarHBondContact O-N 2.67Å |
| 1761 | L | 84.9 | Confident | 75.8 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.6 | -38.8 | 174.9 | -76.6 | 172.6 | 0 | 0 | 0 | 111.7 | I1626 L1757 E1758 R1763 D1765 L1785 A1789 W1806 L1807 | I1626-L1761 HydrophobicContact CD1-CD2 3.65Å; I1626-L1761 HydrophobicContact CD1-CG 4.06Å; I1626-L1761 HydrophobicContact CG1-CD2 4.28Å; I1626-L1761 HydrophobicContact CG2-CD2 4.33Å; L1757-L1761 HydrophobicContact CD1-CD1 3.87Å; L1757-L1761 HydrophobicContact CD1-CG 4.15Å; L1757-L1761 HydrophobicContact CG-CD1 3.91Å; L1757-L1761 VanDerWaalsContact O-CB 3.28Å; L1757-L1761 WeakPolarHBondContact O-CB 3.49Å; L1757-L1761 VanDerWaalsContact O-CG 3.3Å; L1757-L1761 WeakPolarHBondContact O-CG 3.43Å; L1757-L1761 PolarHBondContact O-N 3Å; E1758-L1761 PolarHBondContact O-N 3.17Å; L1761-R1763 PolarHBondContact O-N 2.94Å; L1761-D1765 CarbonylContact O-C 3.55Å; L1761-D1765 PolarHBondContact O-N 3.24Å; L1761-L1785 HydrophobicContact CD2-CB 3.86Å; L1761-A1789 HydrophobicContact CD1-CB 4.23Å; L1761-W1806 HydrophobicContact CD1-CH2 4.12Å; L1761-W1806 HydrophobicContact CD1-CZ3 4.41Å; L1761-L1807 HydrophobicContact CD1-CD1 3.82Å |
| 1762 | T | 79.2 | Confident | 73.7 | Confident | 50 Ų | 50 | 55.4 Ų | 55.4 | 31% | 0.307 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -63 | -30.9 | 176.3 | 70.4 | 0 | 0 | 0 | 0 | 113 | E1758 T1759 V1760 R1810 | E1758-T1762 HydrophobicContact CG-CG2 4.26Å; E1758-T1762 WeakPolarHBondContact O-CG2 3Å; E1758-T1762 PolarHBondContact O-N 2.96Å; T1759-T1762 PolarHBondContact O-N 3.22Å; T1759-T1762 PolarHBondContact O-OG1 3.12Å; V1760-T1762 VanDerWaalsContact C-N 3.3Å; V1760-T1762 PolarHBondContact O-N 3.17Å; T1762-R1810 VanDerWaalsContact CG2-CZ 3.49Å |
| 1763 | R | 80.1 | Confident | 71.4 | Confident | 74 Ų | 74 | 64.6 Ų | 64.6 | 28% | 0.279 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -86.2 | -47.7 | -176.1 | -175.4 | 176.8 | 175.1 | 100.5 | 4.9 | 112.6 | E1616 T1759 V1760 L1761 | E1616-R1763 IonicContact OE1-CZ 2.87Å; E1616-R1763 IonicContact OE1-NE 3.65Å; E1616-R1763 PolarHBondContact OE1-NE 3.45Å; E1616-R1763 IonicContact OE1-NH2 3.62Å; E1616-R1763 PolarHBondContact OE1-NH2 3.3Å; E1616-R1763 VanDerWaalsContact OE1-NH2 3.08Å; E1616-R1763 IonicContact OE2-CZ 3.67Å; E1616-R1763 IonicContact OE2-NE 3.04Å; E1616-R1763 IonicContact OE2-NH2 2.65Å; E1616-R1763 PolarHBondContact OE2-NH2 3.27Å; T1759-R1763 PolarHBondContact O-N 2.88Å; V1760-R1763 PolarHBondContact O-N 2.96Å; V1760-R1763 VanDerWaalsContact O-N 3.12Å; L1761-R1763 PolarHBondContact O-N 2.94Å |
| 1764 | L | 80.9 | Confident | 68.9 | Low | 10 Ų | 10 | 73.6 Ų | 73.6 | 5% | 0.052 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -85.5 | -25.8 | -174.1 | -68.5 | 177.8 | 0 | 0 | 0 | 113.6 | V1612 P1622 V1760 P1766 L1785 | V1612-L1764 HydrophobicContact CG1-CD2 4.1Å; V1612-L1764 HydrophobicContact CG1-CG 4.46Å; V1612-L1764 HydrophobicContact CG2-CD1 4.27Å; P1622-L1764 HydrophobicContact CB-CD1 3.79Å; V1760-L1764 HydrophobicContact CG1-CD1 3.62Å; V1760-L1764 HydrophobicContact CG1-CG 4.27Å; V1760-L1764 PolarHBondContact O-N 2.67Å; L1764-P1766 VanDerWaalsContact C-CD 3.44Å; L1764-L1785 HydrophobicContact CB-CD1 3.93Å |
| 1765 | D | 76.4 | Confident | 66.5 | Low | 5 Ų | 5 | 76.5 Ų | 76.5 | 3% | 0.027 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -130.1 | 63.5 | 177.1 | -168 | 18.8 | 0 | 0 | 0 | 110.1 | L1761 H1782 G1783 L1785 H1786 | L1761-D1765 CarbonylContact O-C 3.55Å; L1761-D1765 PolarHBondContact O-N 3.24Å; D1765-H1782 IonicContact OD1-ND1 3.17Å; D1765-G1783 PolarHBondContact OD1-N 2.97Å; D1765-G1783 WeakPolarHBondContact OD2-CA 3.37Å; D1765-G1783 PolarHBondContact OD2-N 3.13Å; D1765-L1785 HydrophobicContact CB-CB 4.16Å; D1765-L1785 HydrophobicContact CB-CD1 4.12Å; D1765-L1785 HydrophobicContact CB-CG 4.44Å; D1765-H1786 PolarHBondContact O-CE1 3.01Å; D1765-H1786 IonicContact OD2-CE1 3.95Å; D1765-H1786 IonicContact OD2-CG 3.8Å; D1765-H1786 IonicContact OD2-ND1 2.93Å; D1765-H1786 PolarHBondContact OD2-ND1 3.37Å |
| 1766 | P | 68.5 | Low | 64.5 | Low | 59 Ų | 59 | 77.8 Ų | 77.8 | 38% | 0.383 | 40% | 0.399 | S | S | . | . | trans | -66.3 | 147.8 | -175.8 | 28.2 | -34.5 | 0 | 0 | 0 | 111 | L1764 S1768 | L1764-P1766 VanDerWaalsContact C-CD 3.44Å; P1766-S1768 PolarHBondContact O-N 2.92Å | ||
| 1767 | P | 55.1 | Low | 62.1 | Low | 53 Ų | 53 | 80.3 Ų | 80.3 | 34% | 0.344 | 41% | 0.41 | S | S | . | . | trans | -69 | 106.6 | 177.7 | 26.4 | -31.8 | 0 | 0 | 0 | 110.9 | Y1816 | P1767-Y1816 HydrophobicContact CB-CD1 4.17Å; P1767-Y1816 HydrophobicContact CB-CD2 4.39Å; P1767-Y1816 HydrophobicContact CB-CE1 3.69Å; P1767-Y1816 HydrophobicContact CB-CE2 3.92Å | ||
| 1768 | S | 50.9 | Low | 59.9 | Low | 55 Ų | 55 | 87.5 Ų | 87.5 | 39% | 0.385 | 44% | 0.444 | S | S | . | . | trans | -83 | 129.3 | -179.8 | 57.8 | 0 | 0 | 0 | 0 | 112.5 | P1766 H1782 Y1816 | P1766-S1768 PolarHBondContact O-N 2.92Å; S1768-H1782 PolarHBondContact OG-CD2 3.23Å; S1768-H1782 PolarHBondContact OG-NE2 3.25Å; S1768-Y1816 WeakPolarHBondContact O-CD1 3.34Å | ||
| 1769 | K | 49.8 | Very low | 58 | Low | 132 Ų | 132 | 85.6 Ų | 85.6 | 57% | 0.574 | 44% | 0.437 | S | S | * | . | trans | -81.5 | 141 | 168.6 | -75.5 | 179 | 179.1 | 173.1 | 0 | 109.3 | N1771 E1772 Y1816 | K1769-N1771 PolarHBondContact O-N 3.4Å; K1769-E1772 PolarHBondContact O-N 3.37Å; K1769-Y1816 HydrophobicContact CG-CE1 4.38Å | ||
| 1770 | I | 46.7 | Very low | 56.5 | Low | 128 Ų | 128 | 91.8 Ų | 91.8 | 66% | 0.656 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -8.4 | -166.4 | -68.6 | 169.2 | 0 | 0 | 0 | 115.8 | A1817 | I1770-A1817 HydrophobicContact CD1-CB 3.94Š|
| 1771 | N | 43.4 | Very low | 54.9 | Low | 156 Ų | 156 | 99.4 Ų | 99.4 | 83% | 0.834 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -130.9 | 14.5 | -173.1 | -78.6 | -22.7 | 0 | 0 | 0 | 117 | K1769 | K1769-N1771 PolarHBondContact O-N 3.4Š|
| 1772 | E | 39.6 | Very low | 53.6 | Low | 171 Ų | 171 | 102.7 Ų | 102.7 | 80% | 0.799 | 51% | 0.505 | S | S | * | . | trans | -102.4 | 132.7 | 178.2 | -78.3 | 179.9 | -178.3 | 0 | 0 | 113.8 | K1769 K1774 | K1769-E1772 PolarHBondContact O-N 3.37Å; E1772-K1774 PolarHBondContact O-N 2.91Å | ||
| 1773 | K | 39.7 | Very low | 53 | Low | 200 Ų | 200 | 100.3 Ų | 100.3 | 87% | 0.87 | 49% | 0.491 | S | S | * | . | trans | -60.7 | 124.7 | -171.8 | -72.5 | 172.2 | 175.2 | 174 | 0 | 112 | T1775 | K1773-T1775 PolarHBondContact O-N 3.5Š| ||
| 1774 | K | 36.4 | Very low | 52.8 | Low | 190 Ų | 190 | 100.8 Ų | 100.8 | 83% | 0.826 | 50% | 0.499 | S | S | * | . | trans | 20.4 | 83.9 | 152.7 | -66.9 | -174.7 | 176.8 | -173.5 | 0 | 115.6 | E1772 | E1772-K1774 PolarHBondContact O-N 2.91Š| ||
| 1775 | T | 37.8 | Very low | 53 | Low | 109 Ų | 109 | 100.5 Ų | 100.5 | 67% | 0.669 | 50% | 0.497 | S | S | * | . | trans | -77.6 | 147.4 | 156.3 | 48.4 | 0 | 0 | 0 | 0 | 109.7 | K1773 F1777 | K1773-T1775 PolarHBondContact O-N 3.5Å; T1775-F1777 VanDerWaalsContact C-N 3.34Å; T1775-F1777 PolarHBondContact O-N 3.28Å | ||
| 1776 | T | 45.7 | Very low | 53.3 | Low | 132 Ų | 132 | 100.5 Ų | 100.5 | 81% | 0.81 | 50% | 0.497 | S | S | * | . | S | Bend | trans | -72.1 | -11.7 | -163.4 | 41.4 | 0 | 0 | 0 | 0 | 116.6 | Q1778 | T1776-Q1778 PolarHBondContact O-N 2.85Š|
| 1777 | F | 40.3 | Very low | 54.1 | Low | 53 Ų | 53 | 98.4 Ų | 98.4 | 23% | 0.232 | 48% | 0.483 | C | S | . | . | trans | -93.6 | 96.5 | 172.2 | -96 | -86.3 | 0 | 0 | 0 | 110 | C1615 E1616 D1619 T1775 T1779 | C1615-F1777 WeakPolarHBondContact O-CZ 3.29Å; E1616-F1777 VanDerWaalsContact CA-CZ 3.47Å; E1616-F1777 HydrophobicContact CB-CE2 4.15Å; E1616-F1777 HydrophobicContact CB-CZ 4.42Å; E1616-F1777 HydrophobicContact CG-CE2 4.05Å; E1616-F1777 HydrophobicContact CG-CZ 4.41Å; D1619-F1777 WeakPolarHBondContact OD1-CE1 3.33Å; T1775-F1777 VanDerWaalsContact C-N 3.34Å; T1775-F1777 PolarHBondContact O-N 3.28Å; F1777-T1779 PolarHBondContact O-N 3.05Å | ||
| 1778 | Q | 42.9 | Very low | 55.5 | Low | 152 Ų | 152 | 97.3 Ų | 97.3 | 71% | 0.71 | 47% | 0.474 | S | S | * | . | trans | -86.5 | 81.8 | 166.4 | -72.8 | -172.7 | -9.9 | 0 | 0 | 108.6 | T1776 K1780 | T1776-Q1778 PolarHBondContact O-N 2.85Å; Q1778-K1780 PolarHBondContact O-N 2.93Å | ||
| 1779 | T | 47.8 | Very low | 57.2 | Low | 28 Ų | 28 | 94.7 Ų | 94.7 | 17% | 0.172 | 46% | 0.455 | C | S | . | . | trans | -61.4 | 112.2 | 149.7 | 51.9 | 0 | 0 | 0 | 0 | 104.6 | P1622 F1777 Y1781 | P1622-T1779 HydrophobicContact CG-CG2 4.26Å; F1777-T1779 PolarHBondContact O-N 3.05Å; T1779-Y1781 PolarHBondContact O-N 3.17Å | ||
| 1780 | K | 52.8 | Low | 59 | Low | 170 Ų | 170 | 88.4 Ų | 88.4 | 74% | 0.739 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -49.1 | -19.5 | -176.7 | -100.4 | 176.4 | 173.9 | 172.2 | 0 | 112.3 | Q1778 | Q1778-K1780 PolarHBondContact O-N 2.93Š|
| 1781 | Y | 53.7 | Low | 60.9 | Low | 161 Ų | 161 | 85.2 Ų | 85.2 | 63% | 0.631 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -138.2 | 101.8 | 178.3 | -53.5 | -78.1 | 0 | 0 | 0 | 112 | T1779 G1783 L1784 | T1779-Y1781 PolarHBondContact O-N 3.17Å; Y1781-G1783 PolarHBondContact O-N 3.19Å; Y1781-L1784 VanDerWaalsContact O-CB 3.27Å; Y1781-L1784 WeakPolarHBondContact O-CB 3.08Å; Y1781-L1784 PolarHBondContact O-N 3.3Å |
| 1782 | H | 58.5 | Low | 63 | Low | 68 Ų | 68 | 79 Ų | 79 | 32% | 0.315 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | 128.4 | 174.1 | -78.3 | -70.9 | 0 | 0 | 0 | 112 | D1765 S1768 R1820 | D1765-H1782 IonicContact OD1-ND1 3.17Å; S1768-H1782 PolarHBondContact OG-CD2 3.23Å; S1768-H1782 PolarHBondContact OG-NE2 3.25Å; H1782-R1820 VanDerWaalsContact C-NH2 3.27Å; H1782-R1820 VanDerWaalsContact CB-NH2 3.27Å; H1782-R1820 PolarHBondContact O-NE 3.25Å; H1782-R1820 PolarHBondContact O-NH2 3.24Å |
| 1783 | G | 66.7 | Low | 65.2 | Low | 1 Ų | 1 | 70.9 Ų | 70.9 | 1% | 0.01 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 97 | -9.4 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | D1765 Y1781 L1785 H1786 L1787 | D1765-G1783 PolarHBondContact OD1-N 2.97Å; D1765-G1783 WeakPolarHBondContact OD2-CA 3.37Å; D1765-G1783 PolarHBondContact OD2-N 3.13Å; Y1781-G1783 PolarHBondContact O-N 3.19Å; G1783-L1785 VanDerWaalsContact C-N 3.26Å; G1783-L1785 PolarHBondContact O-N 3.32Å; G1783-H1786 WeakPolarHBondContact O-CB 3.29Å; G1783-H1786 PolarHBondContact O-N 2.89Å; G1783-H1786 VanDerWaalsContact O-N 3.17Å; G1783-L1787 PolarHBondContact O-N 3.41Å |
| 1784 | L | 76.5 | Confident | 67.2 | Low | 83 Ų | 83 | 62 Ų | 62 | 44% | 0.435 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -59 | -40.8 | 178.8 | -175.7 | 67.3 | 0 | 0 | 0 | 111.2 | Y1781 H1786 L1787 I1788 | Y1781-L1784 VanDerWaalsContact O-CB 3.27Å; Y1781-L1784 WeakPolarHBondContact O-CB 3.08Å; Y1781-L1784 PolarHBondContact O-N 3.3Å; L1784-H1786 PolarHBondContact O-N 3.39Å; L1784-L1787 PolarHBondContact O-N 3.25Å; L1784-I1788 HydrophobicContact CG-CD1 4.07Å; L1784-I1788 VanDerWaalsContact O-CG1 3.29Å; L1784-I1788 WeakPolarHBondContact O-CG1 3.29Å; L1784-I1788 PolarHBondContact O-N 3.06Å |
| 1785 | L | 83.5 | Confident | 69.4 | Low | 4 Ų | 4 | 55.7 Ų | 55.7 | 2% | 0.021 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.8 | -39.9 | 177.1 | -64.7 | -169.7 | 0 | 0 | 0 | 112.1 | P1622 A1623 I1626 L1761 L1764 D1765 G1783 L1787 I1788 A1789 | P1622-L1785 HydrophobicContact CB-CD1 3.98Å; P1622-L1785 HydrophobicContact CG-CD1 3.78Å; P1622-L1785 HydrophobicContact CG-CD2 4.2Å; A1623-L1785 HydrophobicContact CB-CD2 4.4Å; I1626-L1785 HydrophobicContact CG1-CB 4.12Å; I1626-L1785 HydrophobicContact CG1-CD1 4.13Å; I1626-L1785 HydrophobicContact CG1-CD2 4.1Å; I1626-L1785 HydrophobicContact CG1-CG 4.34Å; I1626-L1785 WeakPolarHBondContact CG2-O 3.4Å; L1761-L1785 HydrophobicContact CD2-CB 3.86Å; L1764-L1785 HydrophobicContact CB-CD1 3.93Å; D1765-L1785 HydrophobicContact CB-CB 4.16Å; D1765-L1785 HydrophobicContact CB-CD1 4.12Å; D1765-L1785 HydrophobicContact CB-CG 4.44Å; G1783-L1785 VanDerWaalsContact C-N 3.26Å; G1783-L1785 PolarHBondContact O-N 3.32Å; L1785-L1787 VanDerWaalsContact C-N 3.33Å; L1785-L1787 PolarHBondContact O-N 3.33Å; L1785-I1788 HydrophobicContact CD2-CD1 4.3Å; L1785-I1788 PolarHBondContact O-N 2.99Å; L1785-A1789 PolarHBondContact O-N 3.12Å |
| 1786 | H | 84.2 | Confident | 70.9 | Confident | 5 Ų | 5 | 51.1 Ų | 51.1 | 2% | 0.023 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.7 | -38 | 175 | -69.3 | 77.8 | 0 | 0 | 0 | 112 | D1765 G1783 L1784 A1789 C1790 L1811 | D1765-H1786 PolarHBondContact O-CE1 3.01Å; D1765-H1786 IonicContact OD2-CE1 3.95Å; D1765-H1786 IonicContact OD2-CG 3.8Å; D1765-H1786 IonicContact OD2-ND1 2.93Å; D1765-H1786 PolarHBondContact OD2-ND1 3.37Å; G1783-H1786 WeakPolarHBondContact O-CB 3.29Å; G1783-H1786 PolarHBondContact O-N 2.89Å; G1783-H1786 VanDerWaalsContact O-N 3.17Å; L1784-H1786 PolarHBondContact O-N 3.39Å; H1786-A1789 PolarHBondContact O-N 2.95Å; H1786-C1790 PolarHBondContact O-N 2.96Å; H1786-C1790 PolarHBondContact O-SG 3.42Å; H1786-L1811 HydrophobicContact CB-CD2 3.63Å; H1786-L1811 HydrophobicContact CB-CG 4.19Å |
| 1787 | L | 84 | Confident | 71.8 | Confident | 16 Ų | 16 | 47.1 Ų | 47.1 | 8% | 0.084 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -68.6 | -41.8 | 176.4 | -72.2 | 168.7 | 0 | 0 | 0 | 112 | G1783 L1784 L1785 A1789 C1790 E1791 L1811 N1823 L1824 L1827 | G1783-L1787 PolarHBondContact O-N 3.41Å; L1784-L1787 PolarHBondContact O-N 3.25Å; L1785-L1787 VanDerWaalsContact C-N 3.33Å; L1785-L1787 PolarHBondContact O-N 3.33Å; L1787-A1789 VanDerWaalsContact C-N 3.31Å; L1787-A1789 PolarHBondContact O-N 2.84Å; L1787-C1790 WeakPolarHBondContact O-CB 3.44Å; L1787-C1790 PolarHBondContact O-N 3.16Å; L1787-C1790 VanDerWaalsContact O-N 3.14Å; L1787-E1791 PolarHBondContact O-N 3.3Å; L1787-L1811 HydrophobicContact CD2-CD1 4.28Å; L1787-L1811 HydrophobicContact CD2-CD2 4.39Å; L1787-L1811 HydrophobicContact CG-CD2 4.37Å; L1787-N1823 HydrophobicContact CD1-CB 3.54Å; L1787-N1823 HydrophobicContact CD2-CB 3.83Å; L1787-N1823 HydrophobicContact CG-CB 4.35Å; L1787-L1824 HydrophobicContact CD2-CB 4.37Å; L1787-L1827 HydrophobicContact CB-CD1 4.48Å; L1787-L1827 HydrophobicContact CD2-CD1 4.06Å; L1787-L1827 WeakPolarHBondContact O-CD1 3.33Å |
| 1788 | I | 84.8 | Confident | 72.9 | Confident | 29 Ų | 29 | 50 Ų | 50 | 15% | 0.149 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -58 | -45.8 | 173.4 | -71.1 | 167.6 | 0 | 0 | 0 | 110.2 | A1623 I1626 N1627 L1784 L1785 C1790 E1791 N1792 | A1623-I1788 HydrophobicContact CB-CD1 4.03Å; I1626-I1788 HydrophobicContact CG2-CG2 4.23Å; N1627-I1788 WeakPolarHBondContact OD1-CG2 3.34Å; L1784-I1788 HydrophobicContact CG-CD1 4.07Å; L1784-I1788 VanDerWaalsContact O-CG1 3.29Å; L1784-I1788 WeakPolarHBondContact O-CG1 3.29Å; L1784-I1788 PolarHBondContact O-N 3.06Å; L1785-I1788 HydrophobicContact CD2-CD1 4.3Å; L1785-I1788 PolarHBondContact O-N 2.99Å; I1788-C1790 VanDerWaalsContact C-N 3.33Å; I1788-C1790 PolarHBondContact O-N 2.88Å; I1788-E1791 PolarHBondContact O-N 3.13Å; I1788-N1792 PolarHBondContact O-N 2.83Å; I1788-N1792 PolarHBondContact O-ND2 3.34Å |
| 1789 | A | 87.1 | Confident | 73.8 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -59.9 | -42.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | I1626 L1757 L1761 L1785 H1786 L1787 N1792 I1793 | I1626-A1789 HydrophobicContact CG2-CB 3.85Å; L1757-A1789 HydrophobicContact CD1-CB 4.22Å; L1761-A1789 HydrophobicContact CD1-CB 4.23Å; L1785-A1789 PolarHBondContact O-N 3.12Å; H1786-A1789 PolarHBondContact O-N 2.95Å; L1787-A1789 VanDerWaalsContact C-N 3.31Å; L1787-A1789 PolarHBondContact O-N 2.84Å; A1789-N1792 PolarHBondContact O-N 3.4Å; A1789-I1793 VanDerWaalsContact O-CD1 3.31Å; A1789-I1793 WeakPolarHBondContact O-CD1 3.21Å; A1789-I1793 WeakPolarHBondContact O-CG1 3.2Å; A1789-I1793 PolarHBondContact O-N 3.14Å; A1789-I1793 VanDerWaalsContact O-N 3.09Å |
| 1790 | C | 86.8 | Confident | 74.8 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.7 | -42.4 | 176.4 | -68.7 | 0 | 0 | 0 | 0 | 112.2 | H1786 L1787 I1788 I1793 L1794 L1803 L1807 L1811 L1824 L1827 | H1786-C1790 PolarHBondContact O-N 2.96Å; H1786-C1790 PolarHBondContact O-SG 3.42Å; L1787-C1790 WeakPolarHBondContact O-CB 3.44Å; L1787-C1790 PolarHBondContact O-N 3.16Å; L1787-C1790 VanDerWaalsContact O-N 3.14Å; I1788-C1790 VanDerWaalsContact C-N 3.33Å; I1788-C1790 PolarHBondContact O-N 2.88Å; C1790-I1793 PolarHBondContact O-N 2.93Å; C1790-L1794 WeakPolarHBondContact O-CB 3.38Å; C1790-L1794 VanDerWaalsContact O-CG 3.26Å; C1790-L1794 WeakPolarHBondContact O-CG 3.33Å; C1790-L1794 PolarHBondContact O-N 2.76Å; C1790-L1803 HydrophobicContact CB-CD1 4.03Å; C1790-L1803 HydrophobicContact CB-CD2 4.02Å; C1790-L1807 VanDerWaalsContact SG-CD2 3.54Å; C1790-L1811 WeakPolarHBondContact SG-CD1 3.35Å; C1790-L1824 HydrophobicContact CB-CD1 4.35Å; C1790-L1827 HydrophobicContact CB-CD1 3.95Å |
| 1791 | E | 86.9 | Confident | 76 | Confident | 62 Ų | 62 | 43.9 Ų | 43.9 | 29% | 0.29 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -59.9 | -48.7 | 177.9 | 179.8 | 159.1 | -156.3 | 0 | 0 | 111.3 | L1787 I1788 I1793 L1794 A1795 L1827 K1830 F1831 | L1787-E1791 PolarHBondContact O-N 3.3Å; I1788-E1791 PolarHBondContact O-N 3.13Å; E1791-I1793 PolarHBondContact O-N 2.75Å; E1791-L1794 PolarHBondContact O-N 3.19Å; E1791-A1795 VanDerWaalsContact O-CB 3.23Å; E1791-A1795 WeakPolarHBondContact O-CB 3.44Å; E1791-A1795 PolarHBondContact O-N 2.95Å; E1791-L1827 HydrophobicContact CB-CD1 4.21Å; E1791-L1827 HydrophobicContact CB-CD2 3.71Å; E1791-L1827 HydrophobicContact CG-CD2 3.9Å; E1791-K1830 IonicContact OE1-NZ 3.31Å; E1791-K1830 PolarHBondContact OE1-NZ 2.94Å; E1791-F1831 HydrophobicContact CG-CE2 3.96Å; E1791-F1831 HydrophobicContact CG-CZ 3.99Å |
| 1792 | N | 86.5 | Confident | 77.3 | Confident | 24 Ų | 24 | 44.7 Ų | 44.7 | 13% | 0.128 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.8 | -37 | 180 | -67 | -29.3 | 0 | 0 | 0 | 113.2 | N1627 S1630 L1631 I1788 A1789 | N1627-N1792 WeakPolarHBondContact CA-ND2 3.32Å; N1627-N1792 PolarHBondContact OD1-ND2 2.82Å; S1630-N1792 WeakPolarHBondContact OG-CB 3.47Å; S1630-N1792 PolarHBondContact OG-ND2 3.41Å; L1631-N1792 HydrophobicContact CD2-CB 4.31Å; L1631-N1792 HydrophobicContact CG-CB 4.26Å; I1788-N1792 PolarHBondContact O-N 2.83Å; I1788-N1792 PolarHBondContact O-ND2 3.34Å; A1789-N1792 PolarHBondContact O-N 3.4Å |
| 1793 | I | 86.7 | Confident | 78.4 | Confident | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -67.6 | -43 | 176.3 | -65 | 160.9 | 0 | 0 | 0 | 110.3 | W1754 L1757 A1789 C1790 E1791 S1796 L1801 L1803 L1807 | W1754-I1793 HydrophobicContact CH2-CD1 3.69Å; W1754-I1793 HydrophobicContact CH2-CG1 4Å; W1754-I1793 HydrophobicContact CH2-CG2 4.26Å; W1754-I1793 HydrophobicContact CZ3-CD1 3.61Å; W1754-I1793 HydrophobicContact CZ3-CG1 4.36Å; L1757-I1793 HydrophobicContact CD2-CD1 4.19Å; A1789-I1793 VanDerWaalsContact O-CD1 3.31Å; A1789-I1793 WeakPolarHBondContact O-CD1 3.21Å; A1789-I1793 WeakPolarHBondContact O-CG1 3.2Å; A1789-I1793 PolarHBondContact O-N 3.14Å; A1789-I1793 VanDerWaalsContact O-N 3.09Å; C1790-I1793 PolarHBondContact O-N 2.93Å; E1791-I1793 PolarHBondContact O-N 2.75Å; I1793-S1796 PolarHBondContact O-N 3.31Å; I1793-S1796 PolarHBondContact O-OG 2.95Å; I1793-L1801 HydrophobicContact CG2-CB 4.32Å; I1793-L1803 HydrophobicContact CB-CD2 3.89Å; I1793-L1803 HydrophobicContact CD1-CD2 4.26Å; I1793-L1803 HydrophobicContact CG2-CD2 3.84Å; I1793-L1807 HydrophobicContact CD1-CD2 3.95Å |
| 1794 | L | 82.9 | Confident | 79.2 | Confident | 15 Ų | 15 | 43.5 Ų | 43.5 | 8% | 0.079 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -71.2 | -30.5 | 179 | -72.1 | 172.4 | 0 | 0 | 0 | 113.3 | C1790 E1791 S1796 L1803 L1827 Y1828 F1831 R1833 | C1790-L1794 WeakPolarHBondContact O-CB 3.38Å; C1790-L1794 VanDerWaalsContact O-CG 3.26Å; C1790-L1794 WeakPolarHBondContact O-CG 3.33Å; C1790-L1794 PolarHBondContact O-N 2.76Å; E1791-L1794 PolarHBondContact O-N 3.19Å; L1794-S1796 PolarHBondContact O-N 3.33Å; L1794-L1803 HydrophobicContact CD1-CD1 4.01Å; L1794-L1803 HydrophobicContact CD1-CG 4.44Å; L1794-L1803 HydrophobicContact CD2-CD1 4.41Å; L1794-L1803 HydrophobicContact CD2-CD2 4.45Å; L1794-L1803 HydrophobicContact CD2-CG 4.07Å; L1794-L1803 HydrophobicContact CG-CD1 4.21Å; L1794-L1803 HydrophobicContact CG-CD2 4.06Å; L1794-L1803 HydrophobicContact CG-CG 4.09Å; L1794-L1827 HydrophobicContact CD1-CB 3.97Å; L1794-Y1828 HydrophobicContact CD1-CD1 4.06Å; L1794-Y1828 HydrophobicContact CD1-CE1 4.31Å; L1794-Y1828 HydrophobicContact CD2-CD1 4.32Å; L1794-Y1828 HydrophobicContact CD2-CE1 4.3Å; L1794-F1831 HydrophobicContact CB-CB 4.13Å; L1794-F1831 HydrophobicContact CB-CD2 3.42Å; L1794-F1831 VanDerWaalsContact CB-CD2 3.42Å; L1794-F1831 HydrophobicContact CB-CE2 3.91Å; L1794-F1831 HydrophobicContact CB-CG 3.77Å; L1794-F1831 HydrophobicContact CD1-CD2 4.04Å; L1794-F1831 HydrophobicContact CG-CD2 4.36Å; L1794-R1833 HydrophobicContact CD2-CG 4.16Å |
| 1795 | A | 80.9 | Confident | 79.3 | Confident | 56 Ų | 56 | 47.2 Ų | 47.2 | 46% | 0.463 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -13.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | E1791 G1797 F1831 | E1791-A1795 VanDerWaalsContact O-CB 3.23Å; E1791-A1795 WeakPolarHBondContact O-CB 3.44Å; E1791-A1795 PolarHBondContact O-N 2.95Å; A1795-G1797 PolarHBondContact O-N 3.29Å; A1795-F1831 HydrophobicContact CB-CD1 4.42Å; A1795-F1831 HydrophobicContact CB-CE1 3.49Å; A1795-F1831 VanDerWaalsContact CB-CE1 3.49Å; A1795-F1831 HydrophobicContact CB-CZ 3.61Å |
| 1796 | S | 69.2 | Low | 79.2 | Confident | 13 Ų | 13 | 50 Ų | 50 | 9% | 0.091 | 27% | 0.266 | C | S | . | . | trans | -78.2 | 112.5 | -167.7 | 75.4 | 0 | 0 | 0 | 0 | 112.6 | S1634 Q1638 I1793 L1794 L1801 | S1634-S1796 WeakPolarHBondContact CB-OG 2.88Å; S1634-S1796 VanDerWaalsContact OG-CB 3.26Å; S1634-S1796 WeakPolarHBondContact OG-CB 3.5Å; Q1638-S1796 PolarHBondContact NE2-O 3.45Å; Q1638-S1796 PolarHBondContact NE2-OG 2.95Å; I1793-S1796 PolarHBondContact O-N 3.31Å; I1793-S1796 PolarHBondContact O-OG 2.95Å; L1794-S1796 PolarHBondContact O-N 3.33Å; S1796-L1801 VanDerWaalsContact OG-CD1 3.31Å; S1796-L1801 WeakPolarHBondContact OG-CD1 3.43Å | ||
| 1797 | G | 65.3 | Low | 79.1 | Confident | 48 Ų | 48 | 49.8 Ų | 49.8 | 50% | 0.495 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.2 | -176.8 | 151.7 | 0 | 0 | 0 | 0 | 0 | 120.1 | Q1638 A1795 N1799 | Q1638-G1797 VanDerWaalsContact NE2-CA 3.33Å; Q1638-G1797 VanDerWaalsContact NE2-N 3.18Å; A1795-G1797 PolarHBondContact O-N 3.29Å; G1797-N1799 VanDerWaalsContact C-N 3.32Å; G1797-N1799 PolarHBondContact O-N 3.34Å |
| 1798 | P | 63 | Low | 78.9 | Confident | 115 Ų | 115 | 50 Ų | 50 | 75% | 0.747 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -28.7 | -167.1 | 26.7 | -34 | 0 | 0 | 0 | 113.4 | Q1800 | P1798-Q1800 PolarHBondContact O-N 3.33Š|
| 1799 | N | 61.3 | Low | 78.4 | Confident | 69 Ų | 69 | 51.6 Ų | 51.6 | 37% | 0.369 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | 90.7 | 178.2 | -67.4 | -10.8 | 0 | 0 | 0 | 108.6 | T1641 G1797 L1801 | T1641-N1799 PolarHBondContact OG1-ND2 2.95Å; G1797-N1799 VanDerWaalsContact C-N 3.32Å; G1797-N1799 PolarHBondContact O-N 3.34Å; N1799-L1801 WeakPolarHBondContact O-CG 3.33Å; N1799-L1801 PolarHBondContact O-N 3.29Å |
| 1800 | Q | 70 | Confident | 77.7 | Confident | 129 Ų | 129 | 54.6 Ų | 54.6 | 60% | 0.603 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -39.5 | 87.4 | 171.7 | -91.3 | -173.1 | 14 | 0 | 0 | 114.1 | P1798 R1833 | P1798-Q1800 PolarHBondContact O-N 3.33Å; Q1800-R1833 VanDerWaalsContact CB-NH1 3.32Å; Q1800-R1833 PolarHBondContact O-NH2 2.92Å |
| 1801 | L | 78.7 | Confident | 77 | Confident | 23 Ų | 23 | 55 Ų | 55 | 12% | 0.12 | 29% | 0.294 | C | S | . | . | P | Polyproline II helix | trans | -70.1 | 144.4 | 177.9 | -62.8 | -177.7 | 0 | 0 | 0 | 112.9 | A1637 Q1638 I1793 S1796 N1799 R1833 | A1637-L1801 HydrophobicContact CB-CD1 3.72Å; A1637-L1801 HydrophobicContact CB-CD2 3.85Å; A1637-L1801 HydrophobicContact CB-CG 4.48Å; Q1638-L1801 HydrophobicContact CG-CD1 4.42Å; I1793-L1801 HydrophobicContact CG2-CB 4.32Å; S1796-L1801 VanDerWaalsContact OG-CD1 3.31Å; S1796-L1801 WeakPolarHBondContact OG-CD1 3.43Å; N1799-L1801 WeakPolarHBondContact O-CG 3.33Å; N1799-L1801 PolarHBondContact O-N 3.29Å; L1801-R1833 PolarHBondContact O-NH2 3.26Å |
| 1802 | Y | 79.3 | Confident | 76.2 | Confident | 178 Ų | 178 | 54.2 Ų | 54.2 | 70% | 0.698 | 29% | 0.292 | S | S | * | . | P | Polyproline II helix | trans | -92.6 | 143.5 | 172.8 | -69.8 | -83.7 | 0 | 0 | 0 | 110.7 | ||
| 1803 | L | 82.9 | Confident | 75 | Confident | 19 Ų | 19 | 55.2 Ų | 55.2 | 10% | 0.099 | 30% | 0.301 | C | S | . | . | P | Polyproline II helix | trans | -69.5 | 137 | 174.9 | -69.4 | 178.4 | 0 | 0 | 0 | 110.4 | C1790 I1793 L1794 L1807 T1808 L1824 Y1828 | C1790-L1803 HydrophobicContact CB-CD1 4.03Å; C1790-L1803 HydrophobicContact CB-CD2 4.02Å; I1793-L1803 HydrophobicContact CB-CD2 3.89Å; I1793-L1803 HydrophobicContact CD1-CD2 4.26Å; I1793-L1803 HydrophobicContact CG2-CD2 3.84Å; L1794-L1803 HydrophobicContact CD1-CD1 4.01Å; L1794-L1803 HydrophobicContact CD1-CG 4.44Å; L1794-L1803 HydrophobicContact CD2-CD1 4.41Å; L1794-L1803 HydrophobicContact CD2-CD2 4.45Å; L1794-L1803 HydrophobicContact CD2-CG 4.07Å; L1794-L1803 HydrophobicContact CG-CD1 4.21Å; L1794-L1803 HydrophobicContact CG-CD2 4.06Å; L1794-L1803 HydrophobicContact CG-CG 4.09Å; L1803-L1807 HydrophobicContact CD2-CD2 4.38Å; L1803-T1808 HydrophobicContact CB-CG2 3.56Å; L1803-T1808 HydrophobicContact CD1-CG2 4.07Å; L1803-T1808 HydrophobicContact CG-CG2 4.49Å; L1803-L1824 HydrophobicContact CD1-CD1 3.77Å; L1803-Y1828 HydrophobicContact CD1-CE1 3.71Å; L1803-Y1828 HydrophobicContact CG-CE1 4.4Å |
| 1804 | P | 82.3 | Confident | 73.4 | Confident | 24 Ų | 24 | 58.7 Ų | 58.7 | 16% | 0.156 | 32% | 0.322 | C | S | . | . | P | Polyproline II helix | trans | -58.1 | 142.2 | 176.3 | -22.6 | 31.1 | 0 | 0 | 0 | 112.5 | W1754 W1806 L1807 T1808 | W1754-P1804 HydrophobicContact CE3-CG 3.91Å; W1754-P1804 HydrophobicContact CH2-CG 3.94Å; W1754-P1804 HydrophobicContact CZ3-CG 3.5Å; P1804-W1806 VanDerWaalsContact C-N 3.29Å; P1804-W1806 HydrophobicContact CB-CG 4.25Å; P1804-W1806 VanDerWaalsContact CB-NE1 3.29Å; P1804-W1806 PolarHBondContact O-N 3.47Å; P1804-L1807 HydrophobicContact CB-CB 4.2Å; P1804-L1807 HydrophobicContact CG-CB 4.47Å; P1804-L1807 PolarHBondContact O-N 3.3Å; P1804-L1807 VanDerWaalsContact O-N 3.08Å; P1804-T1808 PolarHBondContact O-N 3.19Å; P1804-T1808 PolarHBondContact O-OG1 2.88Å |
| 1805 | E | 78.6 | Confident | 71.9 | Confident | 162 Ų | 162 | 61 Ų | 61 | 76% | 0.757 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -61.6 | -37.3 | -179.8 | -168.7 | 176.5 | -177.2 | 0 | 0 | 111.9 | L1807 T1808 S1809 | E1805-L1807 VanDerWaalsContact C-N 3.31Å; E1805-L1807 PolarHBondContact O-N 3.01Å; E1805-T1808 WeakPolarHBondContact CA-OG1 3.34Å; E1805-T1808 PolarHBondContact O-OG1 3.48Å; E1805-T1808 VanDerWaalsContact O-OG1 3.05Å; E1805-S1809 WeakPolarHBondContact O-CB 3.46Å; E1805-S1809 PolarHBondContact O-N 3.43Å; E1805-S1809 PolarHBondContact O-OG 3.34Å |
| 1806 | W | 82.2 | Confident | 70.4 | Confident | 62 Ų | 62 | 61.2 Ų | 61.2 | 24% | 0.235 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -63.9 | -35.6 | 175.7 | 69.8 | -98.5 | 0 | 0 | 0 | 112.2 | L1757 E1758 L1761 P1804 S1809 R1810 | L1757-W1806 HydrophobicContact CG-CH2 4.37Å; E1758-W1806 VanDerWaalsContact CA-CH2 3.47Å; E1758-W1806 HydrophobicContact CB-CE3 4.4Å; E1758-W1806 HydrophobicContact CB-CH2 3.65Å; E1758-W1806 HydrophobicContact CB-CZ2 3.83Å; E1758-W1806 HydrophobicContact CB-CZ3 3.95Å; E1758-W1806 HydrophobicContact CG-CD2 4.33Å; E1758-W1806 HydrophobicContact CG-CE3 3.96Å; E1758-W1806 HydrophobicContact CG-CH2 4.07Å; E1758-W1806 HydrophobicContact CG-CZ2 4.42Å; E1758-W1806 HydrophobicContact CG-CZ3 3.83Å; L1761-W1806 HydrophobicContact CD1-CH2 4.12Å; L1761-W1806 HydrophobicContact CD1-CZ3 4.41Å; P1804-W1806 VanDerWaalsContact C-N 3.29Å; P1804-W1806 HydrophobicContact CB-CG 4.25Å; P1804-W1806 VanDerWaalsContact CB-NE1 3.29Å; P1804-W1806 PolarHBondContact O-N 3.47Å; W1806-S1809 VanDerWaalsContact CA-OG 3.32Å; W1806-S1809 WeakPolarHBondContact CA-OG 3.19Å; W1806-S1809 PolarHBondContact O-OG 3.01Å; W1806-S1809 VanDerWaalsContact O-OG 3.05Å; W1806-R1810 WeakPolarHBondContact O-CB 3.29Å; W1806-R1810 PolarHBondContact O-N 3.2Å; W1806-R1810 VanDerWaalsContact O-N 3.12Å |
| 1807 | L | 82.4 | Confident | 69.3 | Low | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -73.9 | -44.7 | -178.4 | -175.6 | 65.5 | 0 | 0 | 0 | 110.7 | L1761 C1790 I1793 L1803 P1804 E1805 R1810 L1811 | L1761-L1807 HydrophobicContact CD1-CD1 3.82Å; C1790-L1807 VanDerWaalsContact SG-CD2 3.54Å; I1793-L1807 HydrophobicContact CD1-CD2 3.95Å; L1803-L1807 HydrophobicContact CD2-CD2 4.38Å; P1804-L1807 HydrophobicContact CB-CB 4.2Å; P1804-L1807 HydrophobicContact CG-CB 4.47Å; P1804-L1807 PolarHBondContact O-N 3.3Å; P1804-L1807 VanDerWaalsContact O-N 3.08Å; E1805-L1807 VanDerWaalsContact C-N 3.31Å; E1805-L1807 PolarHBondContact O-N 3.01Å; L1807-R1810 PolarHBondContact O-N 3.45Å; L1807-L1811 PolarHBondContact O-N 3.34Å |
| 1808 | T | 79 | Confident | 68.4 | Low | 22 Ų | 22 | 63.5 Ų | 63.5 | 14% | 0.135 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -67.6 | -45.7 | 176.6 | 54.7 | 0 | 0 | 0 | 0 | 111.9 | L1803 P1804 E1805 R1810 L1811 L1812 | L1803-T1808 HydrophobicContact CB-CG2 3.56Å; L1803-T1808 HydrophobicContact CD1-CG2 4.07Å; L1803-T1808 HydrophobicContact CG-CG2 4.49Å; P1804-T1808 PolarHBondContact O-N 3.19Å; P1804-T1808 PolarHBondContact O-OG1 2.88Å; E1805-T1808 WeakPolarHBondContact CA-OG1 3.34Å; E1805-T1808 PolarHBondContact O-OG1 3.48Å; E1805-T1808 VanDerWaalsContact O-OG1 3.05Å; T1808-R1810 VanDerWaalsContact C-N 3.25Å; T1808-R1810 PolarHBondContact O-N 2.88Å; T1808-L1811 PolarHBondContact O-N 3.37Å; T1808-L1811 VanDerWaalsContact O-N 3.13Å; T1808-L1812 WeakPolarHBondContact O-CB 3.28Å; T1808-L1812 VanDerWaalsContact O-CG 3.22Å; T1808-L1812 WeakPolarHBondContact O-CG 3.5Å; T1808-L1812 PolarHBondContact O-N 2.97Å |
| 1809 | S | 74 | Confident | 68 | Low | 61 Ų | 61 | 65.6 Ų | 65.6 | 43% | 0.427 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -61.1 | -34.2 | 176.7 | 59 | 0 | 0 | 0 | 0 | 112.4 | E1805 W1806 L1812 S1813 | E1805-S1809 WeakPolarHBondContact O-CB 3.46Å; E1805-S1809 PolarHBondContact O-N 3.43Å; E1805-S1809 PolarHBondContact O-OG 3.34Å; W1806-S1809 VanDerWaalsContact CA-OG 3.32Å; W1806-S1809 WeakPolarHBondContact CA-OG 3.19Å; W1806-S1809 PolarHBondContact O-OG 3.01Å; W1806-S1809 VanDerWaalsContact O-OG 3.05Å; S1809-L1812 CarbonylContact O-C 3.36Å; S1809-L1812 PolarHBondContact O-N 3.15Å; S1809-S1813 WeakPolarHBondContact O-CB 3.45Å; S1809-S1813 PolarHBondContact O-N 3.36Å |
| 1810 | R | 72.3 | Confident | 68.2 | Low | 64 Ų | 64 | 63.3 Ų | 63.3 | 24% | 0.242 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -70.9 | -32.5 | 176.1 | -158.5 | 169.3 | -165.8 | 143.9 | 2.2 | 113.1 | T1762 W1806 L1807 T1808 L1812 | T1762-R1810 VanDerWaalsContact CG2-CZ 3.49Å; W1806-R1810 WeakPolarHBondContact O-CB 3.29Å; W1806-R1810 PolarHBondContact O-N 3.2Å; W1806-R1810 VanDerWaalsContact O-N 3.12Å; L1807-R1810 PolarHBondContact O-N 3.45Å; T1808-R1810 VanDerWaalsContact C-N 3.25Å; T1808-R1810 PolarHBondContact O-N 2.88Å; R1810-L1812 VanDerWaalsContact C-N 3.35Å |
| 1811 | L | 73.3 | Confident | 68.3 | Low | 7 Ų | 7 | 57.2 Ų | 57.2 | 4% | 0.037 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -74.2 | -24.3 | 171.5 | -75.1 | 174 | 0 | 0 | 0 | 113.2 | H1786 L1787 C1790 L1807 T1808 R1820 L1824 | H1786-L1811 HydrophobicContact CB-CD2 3.63Å; H1786-L1811 HydrophobicContact CB-CG 4.19Å; L1787-L1811 HydrophobicContact CD2-CD1 4.28Å; L1787-L1811 HydrophobicContact CD2-CD2 4.39Å; L1787-L1811 HydrophobicContact CG-CD2 4.37Å; C1790-L1811 WeakPolarHBondContact SG-CD1 3.35Å; L1807-L1811 PolarHBondContact O-N 3.34Å; T1808-L1811 PolarHBondContact O-N 3.37Å; T1808-L1811 VanDerWaalsContact O-N 3.13Å; L1811-R1820 HydrophobicContact CD2-CB 4.18Å; L1811-R1820 HydrophobicContact CD2-CG 4.29Å; L1811-L1824 HydrophobicContact CB-CD2 4.41Å; L1811-L1824 HydrophobicContact CD1-CD1 4.06Å; L1811-L1824 HydrophobicContact CD1-CD2 4.22Å |
| 1812 | L | 70.4 | Confident | 68.1 | Low | 46 Ų | 46 | 57.3 Ų | 57.3 | 24% | 0.241 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -106.3 | -2.1 | -174.7 | -62 | 172.5 | 0 | 0 | 0 | 114.3 | T1808 S1809 R1810 T1814 A1821 L1824 L1840 F1858 | T1808-L1812 WeakPolarHBondContact O-CB 3.28Å; T1808-L1812 VanDerWaalsContact O-CG 3.22Å; T1808-L1812 WeakPolarHBondContact O-CG 3.5Å; T1808-L1812 PolarHBondContact O-N 2.97Å; S1809-L1812 CarbonylContact O-C 3.36Å; S1809-L1812 PolarHBondContact O-N 3.15Å; R1810-L1812 VanDerWaalsContact C-N 3.35Å; L1812-T1814 PolarHBondContact O-N 3.26Å; L1812-A1821 HydrophobicContact CD2-CB 3.86Å; L1812-L1824 HydrophobicContact CD2-CD2 4.31Å; L1812-L1824 HydrophobicContact CG-CD2 4.37Å; L1812-L1840 HydrophobicContact CD1-CD1 4.16Å; L1812-L1840 HydrophobicContact CD2-CD1 3.61Å; L1812-F1858 HydrophobicContact CD2-CD1 4.27Å; L1812-F1858 HydrophobicContact CD2-CE1 4.14Å |
| 1813 | S | 61.2 | Low | 68 | Low | 46 Ų | 46 | 51.9 Ų | 51.9 | 32% | 0.322 | 28% | 0.282 | S | S | . | . | trans | -65.9 | 131.8 | -175.5 | -177.4 | 0 | 0 | 0 | 0 | 113 | S1809 S1815 | S1809-S1813 WeakPolarHBondContact O-CB 3.45Å; S1809-S1813 PolarHBondContact O-N 3.36Å; S1813-S1815 VanDerWaalsContact C-N 3.25Å; S1813-S1815 PolarHBondContact O-N 3.23Å; S1813-S1815 VanDerWaalsContact O-N 3.16Å; S1813-S1815 PolarHBondContact OG-OG 3.48Å | ||
| 1814 | T | 52.5 | Low | 68.1 | Low | 74 Ų | 74 | 51 Ų | 51 | 45% | 0.454 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -24 | -177 | 59.9 | 0 | 0 | 0 | 0 | 115.6 | L1812 Y1816 D1854 S1857 | L1812-T1814 PolarHBondContact O-N 3.26Å; T1814-Y1816 VanDerWaalsContact C-N 3.3Å; T1814-Y1816 PolarHBondContact O-N 3.45Å; T1814-D1854 HydrophobicContact CG2-CB 4.33Å; T1814-S1857 VanDerWaalsContact CG2-CB 3.44Å |
| 1815 | S | 51.1 | Low | 68.1 | Low | 64 Ų | 64 | 49.9 Ų | 49.9 | 45% | 0.448 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -2.3 | -169.9 | 49.6 | 0 | 0 | 0 | 0 | 115.3 | S1813 | S1813-S1815 VanDerWaalsContact C-N 3.25Å; S1813-S1815 PolarHBondContact O-N 3.23Å; S1813-S1815 VanDerWaalsContact O-N 3.16Å; S1813-S1815 PolarHBondContact OG-OG 3.48Å |
| 1816 | Y | 49.7 | Very low | 68.4 | Low | 59 Ų | 59 | 48.4 Ų | 48.4 | 23% | 0.231 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -138 | 103.7 | -168.9 | -52.5 | -69.7 | 0 | 0 | 0 | 111.8 | P1767 S1768 K1769 T1814 T1818 | P1767-Y1816 HydrophobicContact CB-CD1 4.17Å; P1767-Y1816 HydrophobicContact CB-CD2 4.39Å; P1767-Y1816 HydrophobicContact CB-CE1 3.69Å; P1767-Y1816 HydrophobicContact CB-CE2 3.92Å; S1768-Y1816 WeakPolarHBondContact O-CD1 3.34Å; K1769-Y1816 HydrophobicContact CG-CE1 4.38Å; T1814-Y1816 VanDerWaalsContact C-N 3.3Å; T1814-Y1816 PolarHBondContact O-N 3.45Å; Y1816-T1818 PolarHBondContact O-N 3.18Å |
| 1817 | A | 45.2 | Very low | 68.6 | Low | 69 Ų | 69 | 46.2 Ų | 46.2 | 57% | 0.57 | 25% | 0.251 | S | S | * | . | trans | -70.4 | 106.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | I1770 | I1770-A1817 HydrophobicContact CD1-CB 3.94Š| ||
| 1818 | T | 46.3 | Very low | 68.8 | Low | 40 Ų | 40 | 47.5 Ų | 47.5 | 25% | 0.245 | 26% | 0.256 | C | S | . | . | trans | -157.3 | 154 | 176.9 | 47.6 | 0 | 0 | 0 | 0 | 113.1 | Y1816 R1820 G1859 | Y1816-T1818 PolarHBondContact O-N 3.18Å; T1818-R1820 PolarHBondContact O-N 2.92Å; T1818-R1820 WeakPolarHBondContact OG1-CD 3.35Å; T1818-R1820 VanDerWaalsContact OG1-CG 3.27Å; T1818-R1820 WeakPolarHBondContact OG1-CG 3.43Å; T1818-R1820 PolarHBondContact OG1-NE 2.69Å; T1818-G1859 WeakPolarHBondContact O-CA 3.39Å | ||
| 1819 | E | 56 | Low | 69 | Low | 160 Ų | 160 | 47.6 Ų | 47.6 | 75% | 0.748 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | 22.1 | 179.6 | -62.2 | -178.2 | 155.9 | 0 | 0 | 114.8 | ||
| 1820 | R | 65.3 | Low | 69.5 | Low | 20 Ų | 20 | 51.1 Ų | 51.1 | 8% | 0.075 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -73.7 | -41.8 | -165.6 | -70.9 | 175 | -167.1 | 165.7 | 4.9 | 114.5 | H1782 L1811 T1818 V1822 N1823 L1824 | H1782-R1820 VanDerWaalsContact C-NH2 3.27Å; H1782-R1820 VanDerWaalsContact CB-NH2 3.27Å; H1782-R1820 PolarHBondContact O-NE 3.25Å; H1782-R1820 PolarHBondContact O-NH2 3.24Å; L1811-R1820 HydrophobicContact CD2-CB 4.18Å; L1811-R1820 HydrophobicContact CD2-CG 4.29Å; T1818-R1820 PolarHBondContact O-N 2.92Å; T1818-R1820 WeakPolarHBondContact OG1-CD 3.35Å; T1818-R1820 VanDerWaalsContact OG1-CG 3.27Å; T1818-R1820 WeakPolarHBondContact OG1-CG 3.43Å; T1818-R1820 PolarHBondContact OG1-NE 2.69Å; R1820-V1822 VanDerWaalsContact C-N 3.26Å; R1820-V1822 PolarHBondContact O-N 3.24Å; R1820-N1823 PolarHBondContact O-N 3.46Å; R1820-N1823 VanDerWaalsContact O-N 3.16Å; R1820-L1824 PolarHBondContact O-N 3.12Å |
| 1821 | A | 70.7 | Confident | 69.9 | Low | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.008 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.7 | -36.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L1812 L1824 L1825 F1858 | L1812-A1821 HydrophobicContact CD2-CB 3.86Å; A1821-L1824 PolarHBondContact O-N 2.94Å; A1821-L1825 WeakPolarHBondContact O-CB 3.4Å; A1821-L1825 PolarHBondContact O-N 3.16Å; A1821-F1858 HydrophobicContact CB-CB 4.16Å; A1821-F1858 HydrophobicContact CB-CD1 3.78Å; A1821-F1858 HydrophobicContact CB-CG 4.48Å |
| 1822 | V | 74.7 | Confident | 70.3 | Confident | 26 Ų | 26 | 55.9 Ų | 55.9 | 16% | 0.158 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.5 | -43.8 | 176.5 | 179.7 | 0 | 0 | 0 | 0 | 110.8 | R1820 L1825 R1826 M1844 P1890 L1893 | R1820-V1822 VanDerWaalsContact C-N 3.26Å; R1820-V1822 PolarHBondContact O-N 3.24Å; V1822-L1825 WeakPolarHBondContact O-CB 3.26Å; V1822-L1825 PolarHBondContact O-N 3.04Å; V1822-R1826 WeakPolarHBondContact O-CG 3.44Å; V1822-R1826 PolarHBondContact O-N 3.19Å; V1822-M1844 HydrophobicContact CG2-CE 3.93Å; V1822-P1890 HydrophobicContact CG1-CB 4.03Å; V1822-P1890 HydrophobicContact CG1-CG 4.12Å; V1822-P1890 HydrophobicContact CG2-CG 4.16Å; V1822-L1893 HydrophobicContact CG1-CD1 3.98Å |
| 1823 | N | 78.3 | Confident | 70.8 | Confident | 64 Ų | 64 | 54.9 Ų | 54.9 | 34% | 0.342 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -69.3 | -36.4 | 178.3 | -69.3 | -20.3 | 0 | 0 | 0 | 111.9 | L1787 R1820 L1825 R1826 L1827 | L1787-N1823 HydrophobicContact CD1-CB 3.54Å; L1787-N1823 HydrophobicContact CD2-CB 3.83Å; L1787-N1823 HydrophobicContact CG-CB 4.35Å; R1820-N1823 PolarHBondContact O-N 3.46Å; R1820-N1823 VanDerWaalsContact O-N 3.16Å; N1823-L1825 VanDerWaalsContact C-N 3.33Å; N1823-L1825 PolarHBondContact O-N 3.4Å; N1823-R1826 WeakPolarHBondContact O-CB 3.41Å; N1823-R1826 PolarHBondContact O-N 3.03Å; N1823-L1827 WeakPolarHBondContact O-CG 3.16Å; N1823-L1827 PolarHBondContact O-N 2.95Å |
| 1824 | L | 83.7 | Confident | 71.8 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.6 | -41.1 | 171.6 | -175.7 | 63.1 | 0 | 0 | 0 | 111.7 | L1787 C1790 L1803 L1811 L1812 R1820 A1821 R1826 L1827 Y1828 L1840 | L1787-L1824 HydrophobicContact CD2-CB 4.37Å; C1790-L1824 HydrophobicContact CB-CD1 4.35Å; L1803-L1824 HydrophobicContact CD1-CD1 3.77Å; L1811-L1824 HydrophobicContact CB-CD2 4.41Å; L1811-L1824 HydrophobicContact CD1-CD1 4.06Å; L1811-L1824 HydrophobicContact CD1-CD2 4.22Å; L1812-L1824 HydrophobicContact CD2-CD2 4.31Å; L1812-L1824 HydrophobicContact CG-CD2 4.37Å; R1820-L1824 PolarHBondContact O-N 3.12Å; A1821-L1824 PolarHBondContact O-N 2.94Å; L1824-R1826 VanDerWaalsContact C-N 3.34Å; L1824-R1826 PolarHBondContact O-N 3.35Å; L1824-L1827 PolarHBondContact O-N 3.44Å; L1824-Y1828 HydrophobicContact CD1-CE2 4.13Å; L1824-Y1828 HydrophobicContact CD2-CE2 4.07Å; L1824-Y1828 HydrophobicContact CG-CD2 4.18Å; L1824-Y1828 HydrophobicContact CG-CE2 3.74Å; L1824-Y1828 WeakPolarHBondContact O-CD2 3.46Å; L1824-Y1828 PolarHBondContact O-N 3.44Å; L1824-L1840 HydrophobicContact CB-CD2 4.45Å; L1824-L1840 HydrophobicContact CD2-CD2 4.32Å; L1824-L1840 HydrophobicContact CG-CD2 4.3Å |
| 1825 | L | 84.1 | Confident | 73.3 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.5 | -43.2 | 173.3 | -172.1 | 70.9 | 0 | 0 | 0 | 111.4 | A1821 V1822 N1823 L1827 Y1828 I1829 A1837 L1840 A1841 M1844 P1890 L1893 F1894 I1897 | A1821-L1825 WeakPolarHBondContact O-CB 3.4Å; A1821-L1825 PolarHBondContact O-N 3.16Å; V1822-L1825 WeakPolarHBondContact O-CB 3.26Å; V1822-L1825 PolarHBondContact O-N 3.04Å; N1823-L1825 VanDerWaalsContact C-N 3.33Å; N1823-L1825 PolarHBondContact O-N 3.4Å; L1825-L1827 VanDerWaalsContact C-N 3.32Å; L1825-L1827 PolarHBondContact O-N 3.47Å; L1825-Y1828 PolarHBondContact O-N 3.36Å; L1825-I1829 HydrophobicContact CG-CD1 4.15Å; L1825-I1829 VanDerWaalsContact O-CG1 3.29Å; L1825-I1829 WeakPolarHBondContact O-CG1 3.41Å; L1825-I1829 PolarHBondContact O-N 2.92Å; L1825-A1837 HydrophobicContact CD1-CB 4.07Å; L1825-A1837 WeakPolarHBondContact CD1-O 3.43Å; L1825-L1840 HydrophobicContact CB-CD2 3.94Å; L1825-L1840 HydrophobicContact CD1-CB 4.14Å; L1825-L1840 HydrophobicContact CD1-CD2 4.02Å; L1825-L1840 HydrophobicContact CD1-CG 4.2Å; L1825-A1841 HydrophobicContact CD1-CB 4.32Å; L1825-M1844 HydrophobicContact CD2-SD 4.33Å; L1825-P1890 HydrophobicContact CD2-CG 4.29Å; L1825-L1893 HydrophobicContact CD2-CB 3.97Å; L1825-L1893 HydrophobicContact CD2-CD1 4.02Å; L1825-L1893 HydrophobicContact CG-CD1 4.49Å; L1825-F1894 HydrophobicContact CD2-CD1 4.01Å; L1825-F1894 HydrophobicContact CD2-CE1 3.65Å; L1825-I1897 HydrophobicContact CD1-CD1 3.89Å; L1825-I1897 HydrophobicContact CD2-CD1 4.44Å; L1825-I1897 HydrophobicContact CG-CD1 4.37Å |
| 1826 | R | 84.9 | Confident | 74.8 | Confident | 132 Ų | 132 | 53.2 Ų | 53.2 | 50% | 0.498 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -59.6 | -42.3 | 174.5 | -71.1 | 174.9 | -177.7 | -98.3 | 3.5 | 111.7 | V1822 N1823 L1824 I1829 K1830 L1893 | V1822-R1826 WeakPolarHBondContact O-CG 3.44Å; V1822-R1826 PolarHBondContact O-N 3.19Å; N1823-R1826 WeakPolarHBondContact O-CB 3.41Å; N1823-R1826 PolarHBondContact O-N 3.03Å; L1824-R1826 VanDerWaalsContact C-N 3.34Å; L1824-R1826 PolarHBondContact O-N 3.35Å; R1826-I1829 PolarHBondContact O-N 3.19Å; R1826-K1830 VanDerWaalsContact O-CB 3.32Å; R1826-K1830 WeakPolarHBondContact O-CB 3.4Å; R1826-K1830 PolarHBondContact O-N 2.91Å; R1826-L1893 HydrophobicContact CG-CD1 3.52Å; R1826-L1893 HydrophobicContact CG-CD2 4.03Å; R1826-L1893 HydrophobicContact CG-CG 4.45Å |
| 1827 | L | 85.3 | Confident | 76.6 | Confident | 16 Ų | 16 | 50.4 Ų | 50.4 | 8% | 0.084 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.3 | -46.2 | 177 | -70.1 | 175.1 | 0 | 0 | 0 | 111.6 | L1787 C1790 E1791 L1794 N1823 L1824 L1825 I1829 K1830 F1831 | L1787-L1827 HydrophobicContact CB-CD1 4.48Å; L1787-L1827 HydrophobicContact CD2-CD1 4.06Å; L1787-L1827 WeakPolarHBondContact O-CD1 3.33Å; C1790-L1827 HydrophobicContact CB-CD1 3.95Å; E1791-L1827 HydrophobicContact CB-CD1 4.21Å; E1791-L1827 HydrophobicContact CB-CD2 3.71Å; E1791-L1827 HydrophobicContact CG-CD2 3.9Å; L1794-L1827 HydrophobicContact CD1-CB 3.97Å; N1823-L1827 WeakPolarHBondContact O-CG 3.16Å; N1823-L1827 PolarHBondContact O-N 2.95Å; L1824-L1827 PolarHBondContact O-N 3.44Å; L1825-L1827 VanDerWaalsContact C-N 3.32Å; L1825-L1827 PolarHBondContact O-N 3.47Å; L1827-I1829 VanDerWaalsContact C-N 3.28Å; L1827-I1829 PolarHBondContact O-N 3.37Å; L1827-K1830 PolarHBondContact O-N 3.25Å; L1827-F1831 HydrophobicContact CD2-CE2 4.17Å; L1827-F1831 VanDerWaalsContact O-CD2 3.25Å; L1827-F1831 WeakPolarHBondContact O-CD2 3.46Å; L1827-F1831 PolarHBondContact O-N 2.9Å |
| 1828 | Y | 86.3 | Confident | 78.7 | Confident | 26 Ų | 26 | 48.2 Ų | 48.2 | 10% | 0.102 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -58.9 | -40.2 | 175.6 | -73.5 | -44.7 | 0 | 0 | 0 | 112.5 | L1794 L1803 L1824 L1825 N1832 R1833 T1836 L1840 | L1794-Y1828 HydrophobicContact CD1-CD1 4.06Å; L1794-Y1828 HydrophobicContact CD1-CE1 4.31Å; L1794-Y1828 HydrophobicContact CD2-CD1 4.32Å; L1794-Y1828 HydrophobicContact CD2-CE1 4.3Å; L1803-Y1828 HydrophobicContact CD1-CE1 3.71Å; L1803-Y1828 HydrophobicContact CG-CE1 4.4Å; L1824-Y1828 HydrophobicContact CD1-CE2 4.13Å; L1824-Y1828 HydrophobicContact CD2-CE2 4.07Å; L1824-Y1828 HydrophobicContact CG-CD2 4.18Å; L1824-Y1828 HydrophobicContact CG-CE2 3.74Å; L1824-Y1828 WeakPolarHBondContact O-CD2 3.46Å; L1824-Y1828 PolarHBondContact O-N 3.44Å; L1825-Y1828 PolarHBondContact O-N 3.36Å; Y1828-N1832 PolarHBondContact O-N 2.91Å; Y1828-R1833 HydrophobicContact CD1-CB 3.89Å; Y1828-R1833 HydrophobicContact CD1-CG 4.15Å; Y1828-R1833 HydrophobicContact CG-CB 4.38Å; Y1828-R1833 WeakPolarHBondContact O-CB 3.47Å; Y1828-R1833 PolarHBondContact O-N 3.27Å; Y1828-T1836 WeakPolarHBondContact CD1-OG1 3.29Å; Y1828-L1840 HydrophobicContact CD2-CD2 4.1Å; Y1828-L1840 HydrophobicContact CE2-CD2 4.13Å |
| 1829 | I | 83.7 | Confident | 80.6 | Confident | 25 Ų | 25 | 53 Ų | 53 | 13% | 0.128 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.8 | -47.7 | 174.9 | -69 | 166.7 | 0 | 0 | 0 | 110.9 | L1825 R1826 L1827 F1831 N1832 A1837 L1893 Y1896 I1897 | L1825-I1829 HydrophobicContact CG-CD1 4.15Å; L1825-I1829 VanDerWaalsContact O-CG1 3.29Å; L1825-I1829 WeakPolarHBondContact O-CG1 3.41Å; L1825-I1829 PolarHBondContact O-N 2.92Å; R1826-I1829 PolarHBondContact O-N 3.19Å; L1827-I1829 VanDerWaalsContact C-N 3.28Å; L1827-I1829 PolarHBondContact O-N 3.37Å; I1829-F1831 VanDerWaalsContact C-N 3.25Å; I1829-F1831 PolarHBondContact O-N 3.48Å; I1829-N1832 PolarHBondContact O-N 3.36Å; I1829-N1832 VanDerWaalsContact O-N 3.08Å; I1829-A1837 HydrophobicContact CG1-CB 4.16Å; I1829-L1893 HydrophobicContact CD1-CB 3.92Å; I1829-L1893 HydrophobicContact CD1-CD2 4Å; I1829-L1893 HydrophobicContact CD1-CG 4.41Å; I1829-Y1896 HydrophobicContact CG2-CD1 3.49Å; I1829-Y1896 VanDerWaalsContact CG2-CD1 3.49Å; I1829-Y1896 HydrophobicContact CG2-CE1 3.34Å; I1829-Y1896 HydrophobicContact CG2-CG 4.45Å; I1829-I1897 HydrophobicContact CD1-CD1 3.96Å; I1829-I1897 HydrophobicContact CD1-CG1 3.87Å; I1829-I1897 HydrophobicContact CG1-CD1 4.25Å; I1829-I1897 HydrophobicContact CG1-CG1 3.97Å |
| 1830 | K | 83.7 | Confident | 82 | Confident | 135 Ų | 135 | 45.7 Ų | 45.7 | 59% | 0.587 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -56.5 | -38.7 | -179.3 | -175.9 | 179.9 | 176.8 | -177.8 | 0 | 111.9 | E1791 R1826 L1827 | E1791-K1830 IonicContact OE1-NZ 3.31Å; E1791-K1830 PolarHBondContact OE1-NZ 2.94Å; R1826-K1830 VanDerWaalsContact O-CB 3.32Å; R1826-K1830 WeakPolarHBondContact O-CB 3.4Å; R1826-K1830 PolarHBondContact O-N 2.91Å; L1827-K1830 PolarHBondContact O-N 3.25Å |
| 1831 | F | 81.9 | Confident | 82.9 | Confident | 49 Ų | 49 | 44.8 Ų | 44.8 | 22% | 0.215 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | 23.1 | 179.4 | -62.3 | -72.4 | 0 | 0 | 0 | 114.1 | E1791 L1794 A1795 L1827 I1829 R1833 | E1791-F1831 HydrophobicContact CG-CE2 3.96Å; E1791-F1831 HydrophobicContact CG-CZ 3.99Å; L1794-F1831 HydrophobicContact CB-CB 4.13Å; L1794-F1831 HydrophobicContact CB-CD2 3.42Å; L1794-F1831 VanDerWaalsContact CB-CD2 3.42Å; L1794-F1831 HydrophobicContact CB-CE2 3.91Å; L1794-F1831 HydrophobicContact CB-CG 3.77Å; L1794-F1831 HydrophobicContact CD1-CD2 4.04Å; L1794-F1831 HydrophobicContact CG-CD2 4.36Å; A1795-F1831 HydrophobicContact CB-CD1 4.42Å; A1795-F1831 HydrophobicContact CB-CE1 3.49Å; A1795-F1831 VanDerWaalsContact CB-CE1 3.49Å; A1795-F1831 HydrophobicContact CB-CZ 3.61Å; L1827-F1831 HydrophobicContact CD2-CE2 4.17Å; L1827-F1831 VanDerWaalsContact O-CD2 3.25Å; L1827-F1831 WeakPolarHBondContact O-CD2 3.46Å; L1827-F1831 PolarHBondContact O-N 2.9Å; I1829-F1831 VanDerWaalsContact C-N 3.25Å; I1829-F1831 PolarHBondContact O-N 3.48Å; F1831-R1833 PolarHBondContact O-N 2.88Å; F1831-R1833 VanDerWaalsContact O-N 3.15Å |
| 1832 | N | 80.8 | Confident | 83.7 | Confident | 121 Ų | 121 | 46 Ų | 46 | 65% | 0.647 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55 | 31.9 | 174.3 | -155.7 | 18.9 | 0 | 0 | 0 | 115.1 | Y1828 I1829 L1834 | Y1828-N1832 PolarHBondContact O-N 2.91Å; I1829-N1832 PolarHBondContact O-N 3.36Å; I1829-N1832 VanDerWaalsContact O-N 3.08Å; N1832-L1834 PolarHBondContact O-N 3.14Å; N1832-L1834 VanDerWaalsContact O-N 3.11Å |
| 1833 | R | 82.4 | Confident | 83.9 | Confident | 25 Ų | 25 | 48.5 Ų | 48.5 | 9% | 0.094 | 22% | 0.223 | C | C | . | . | trans | -86.6 | 60.5 | 175.2 | -57 | -53.3 | -157.4 | 157.4 | 11 | 111 | L1794 Q1800 L1801 Y1828 F1831 E1835 T1836 A1837 | L1794-R1833 HydrophobicContact CD2-CG 4.16Å; Q1800-R1833 VanDerWaalsContact CB-NH1 3.32Å; Q1800-R1833 PolarHBondContact O-NH2 2.92Å; L1801-R1833 PolarHBondContact O-NH2 3.26Å; Y1828-R1833 HydrophobicContact CD1-CB 3.89Å; Y1828-R1833 HydrophobicContact CD1-CG 4.15Å; Y1828-R1833 HydrophobicContact CG-CB 4.38Å; Y1828-R1833 WeakPolarHBondContact O-CB 3.47Å; Y1828-R1833 PolarHBondContact O-N 3.27Å; F1831-R1833 PolarHBondContact O-N 2.88Å; F1831-R1833 VanDerWaalsContact O-N 3.15Å; R1833-E1835 VanDerWaalsContact C-N 3.33Å; R1833-E1835 PolarHBondContact O-N 3.24Å; R1833-T1836 VanDerWaalsContact CB-OG1 3.3Å; R1833-T1836 WeakPolarHBondContact CB-OG1 3.24Å; R1833-T1836 PolarHBondContact O-N 3.26Å; R1833-T1836 PolarHBondContact O-OG1 3Å; R1833-T1836 VanDerWaalsContact O-OG1 3.1Å; R1833-A1837 WeakPolarHBondContact O-CB 3.28Å; R1833-A1837 PolarHBondContact O-N 3.41Å | ||
| 1834 | L | 81.9 | Confident | 84 | Confident | 18 Ų | 18 | 45.5 Ų | 45.5 | 9% | 0.094 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.3 | -36.7 | -167.1 | -164.7 | 70.9 | 0 | 0 | 0 | 113.4 | N1832 Y1838 I1897 A1900 L1901 L1904 | N1832-L1834 PolarHBondContact O-N 3.14Å; N1832-L1834 VanDerWaalsContact O-N 3.11Å; L1834-Y1838 VanDerWaalsContact O-CB 3.26Å; L1834-Y1838 WeakPolarHBondContact O-CB 3.28Å; L1834-Y1838 PolarHBondContact O-N 2.76Å; L1834-I1897 HydrophobicContact CD1-CG2 4.15Å; L1834-A1900 HydrophobicContact CD1-CB 3.62Å; L1834-A1900 HydrophobicContact CD2-CB 4.1Å; L1834-L1901 HydrophobicContact CD2-CD2 3.47Å; L1834-L1901 VanDerWaalsContact CD2-CD2 3.47Å; L1834-L1901 HydrophobicContact CD2-CG 3.79Å; L1834-L1901 HydrophobicContact CG-CD2 3.88Å; L1834-L1901 HydrophobicContact CG-CG 4.09Å; L1834-L1904 HydrophobicContact CD2-CD1 3.51Å |
| 1835 | E | 83.5 | Confident | 83.8 | Confident | 93 Ų | 93 | 45.5 Ų | 45.5 | 44% | 0.435 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -67.7 | -45.3 | 178.6 | 178.9 | 173.2 | -169.5 | 0 | 0 | 112.5 | R1833 Y1838 R1839 M1914 | R1833-E1835 VanDerWaalsContact C-N 3.33Å; R1833-E1835 PolarHBondContact O-N 3.24Å; E1835-Y1838 WeakPolarHBondContact O-CB 3Å; E1835-Y1838 PolarHBondContact O-N 2.9Å; E1835-R1839 WeakPolarHBondContact O-CG 3.31Å; E1835-R1839 PolarHBondContact O-N 3.25Å; E1835-R1839 IonicContact OE1-CZ 3.01Å; E1835-R1839 IonicContact OE1-NE 3.11Å; E1835-R1839 IonicContact OE1-NH2 3.35Å; E1835-R1839 PolarHBondContact OE1-NH2 2.62Å; E1835-M1914 HydrophobicContact CB-CE 4.46Å; E1835-M1914 HydrophobicContact CG-CE 3.75Å; E1835-M1914 HydrophobicContact CG-SD 4.47Å |
| 1836 | T | 83.5 | Confident | 83.5 | Confident | 38 Ų | 38 | 49.4 Ų | 49.4 | 23% | 0.233 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -71.8 | -35.1 | 178.1 | 57.9 | 0 | 0 | 0 | 0 | 111.4 | Y1828 R1833 R1839 L1840 | Y1828-T1836 WeakPolarHBondContact CD1-OG1 3.29Å; R1833-T1836 VanDerWaalsContact CB-OG1 3.3Å; R1833-T1836 WeakPolarHBondContact CB-OG1 3.24Å; R1833-T1836 PolarHBondContact O-N 3.26Å; R1833-T1836 PolarHBondContact O-OG1 3Å; R1833-T1836 VanDerWaalsContact O-OG1 3.1Å; T1836-R1839 PolarHBondContact O-N 3.42Å; T1836-L1840 WeakPolarHBondContact O-CB 3.47Å; T1836-L1840 PolarHBondContact O-N 3.31Å |
| 1837 | A | 86.5 | Confident | 82.8 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.3 | -43.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | L1825 I1829 R1833 L1840 A1841 I1897 | L1825-A1837 HydrophobicContact CD1-CB 4.07Å; L1825-A1837 WeakPolarHBondContact CD1-O 3.43Å; I1829-A1837 HydrophobicContact CG1-CB 4.16Å; R1833-A1837 WeakPolarHBondContact O-CB 3.28Å; R1833-A1837 PolarHBondContact O-N 3.41Å; A1837-L1840 PolarHBondContact O-N 3.17Å; A1837-A1841 VanDerWaalsContact O-CB 3.29Å; A1837-A1841 WeakPolarHBondContact O-CB 3.26Å; A1837-A1841 PolarHBondContact O-N 3.39Å; A1837-I1897 HydrophobicContact CB-CD1 3.97Å; A1837-I1897 HydrophobicContact CB-CG1 4.34Å |
| 1838 | Y | 88.9 | Confident | 82 | Confident | 24 Ų | 24 | 43 Ų | 43 | 9% | 0.094 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -59.3 | -48.8 | 174.5 | 161.9 | -98.8 | 0 | 0 | 0 | 111.6 | L1834 E1835 L1840 A1841 M1842 L1901 M1914 N1917 L1918 | L1834-Y1838 VanDerWaalsContact O-CB 3.26Å; L1834-Y1838 WeakPolarHBondContact O-CB 3.28Å; L1834-Y1838 PolarHBondContact O-N 2.76Å; E1835-Y1838 WeakPolarHBondContact O-CB 3Å; E1835-Y1838 PolarHBondContact O-N 2.9Å; Y1838-L1840 PolarHBondContact O-N 3.3Å; Y1838-A1841 PolarHBondContact O-N 3.24Å; Y1838-M1842 HydrophobicContact CD2-CG 4Å; Y1838-M1842 HydrophobicContact CE1-CG 4.16Å; Y1838-M1842 HydrophobicContact CE2-CG 3.49Å; Y1838-M1842 VanDerWaalsContact CE2-CG 3.49Å; Y1838-M1842 HydrophobicContact CE2-SD 3.9Å; Y1838-M1842 WeakPolarHBondContact O-CG 3.44Å; Y1838-M1842 PolarHBondContact O-N 2.74Å; Y1838-L1901 HydrophobicContact CD2-CD1 3.96Å; Y1838-L1901 HydrophobicContact CG-CD1 4.43Å; Y1838-M1914 HydrophobicContact CD1-CB 4.24Å; Y1838-M1914 HydrophobicContact CD1-CG 3.81Å; Y1838-M1914 HydrophobicContact CD1-SD 3.93Å; Y1838-M1914 HydrophobicContact CD2-CB 4.05Å; Y1838-M1914 HydrophobicContact CE1-CB 4.13Å; Y1838-M1914 HydrophobicContact CE1-CG 3.66Å; Y1838-M1914 HydrophobicContact CE1-SD 4.34Å; Y1838-M1914 HydrophobicContact CE2-CB 3.93Å; Y1838-M1914 HydrophobicContact CE2-CG 4.38Å; Y1838-M1914 WeakPolarHBondContact CE2-O 3.23Å; Y1838-M1914 HydrophobicContact CG-CB 4.21Å; Y1838-M1914 HydrophobicContact CG-CG 4.25Å; Y1838-M1914 HydrophobicContact CG-SD 4.32Å; Y1838-N1917 VanDerWaalsContact OH-CB 3.26Å; Y1838-N1917 WeakPolarHBondContact OH-CB 3.26Å; Y1838-L1918 HydrophobicContact CD2-CB 4.15Å; Y1838-L1918 HydrophobicContact CD2-CD2 4.46Å; Y1838-L1918 HydrophobicContact CE2-CB 3.9Å |
| 1839 | R | 86.3 | Confident | 81.2 | Confident | 139 Ų | 139 | 42.8 Ų | 42.8 | 53% | 0.525 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -59.5 | -47.6 | 178.7 | -69.6 | -179.6 | -168.7 | -178.6 | 3.3 | 111.5 | E1835 T1836 A1841 M1842 D1843 | E1835-R1839 WeakPolarHBondContact O-CG 3.31Å; E1835-R1839 PolarHBondContact O-N 3.25Å; E1835-R1839 IonicContact OE1-CZ 3.01Å; E1835-R1839 IonicContact OE1-NE 3.11Å; E1835-R1839 IonicContact OE1-NH2 3.35Å; E1835-R1839 PolarHBondContact OE1-NH2 2.62Å; T1836-R1839 PolarHBondContact O-N 3.42Å; R1839-A1841 VanDerWaalsContact C-N 3.33Å; R1839-A1841 PolarHBondContact O-N 3.35Å; R1839-M1842 PolarHBondContact O-N 2.74Å; R1839-D1843 VanDerWaalsContact O-CG 3.27Å; R1839-D1843 PolarHBondContact O-N 3.26Å |
| 1840 | L | 85.6 | Confident | 80.3 | Confident | 8 Ų | 8 | 45.5 Ų | 45.5 | 4% | 0.042 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.3 | -39.4 | 176.9 | -178.4 | 62.5 | 0 | 0 | 0 | 112.2 | L1812 L1824 L1825 Y1828 T1836 A1837 Y1838 D1843 M1844 F1858 | L1812-L1840 HydrophobicContact CD1-CD1 4.16Å; L1812-L1840 HydrophobicContact CD2-CD1 3.61Å; L1824-L1840 HydrophobicContact CB-CD2 4.45Å; L1824-L1840 HydrophobicContact CD2-CD2 4.32Å; L1824-L1840 HydrophobicContact CG-CD2 4.3Å; L1825-L1840 HydrophobicContact CB-CD2 3.94Å; L1825-L1840 HydrophobicContact CD1-CB 4.14Å; L1825-L1840 HydrophobicContact CD1-CD2 4.02Å; L1825-L1840 HydrophobicContact CD1-CG 4.2Å; Y1828-L1840 HydrophobicContact CD2-CD2 4.1Å; Y1828-L1840 HydrophobicContact CE2-CD2 4.13Å; T1836-L1840 WeakPolarHBondContact O-CB 3.47Å; T1836-L1840 PolarHBondContact O-N 3.31Å; A1837-L1840 PolarHBondContact O-N 3.17Å; Y1838-L1840 PolarHBondContact O-N 3.3Å; L1840-D1843 PolarHBondContact O-N 3.36Å; L1840-M1844 HydrophobicContact CG-SD 4.47Å; L1840-M1844 WeakPolarHBondContact O-CB 3Å; L1840-M1844 VanDerWaalsContact O-CG 3.24Å; L1840-M1844 WeakPolarHBondContact O-CG 3.49Å; L1840-M1844 PolarHBondContact O-N 3.15Å; L1840-F1858 HydrophobicContact CD1-CD1 4.44Å; L1840-F1858 HydrophobicContact CD1-CE1 3.93Å |
| 1841 | A | 85.6 | Confident | 79.1 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.8 | -39.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L1825 A1837 Y1838 R1839 M1844 L1845 F1894 I1897 L1918 | L1825-A1841 HydrophobicContact CD1-CB 4.32Å; A1837-A1841 VanDerWaalsContact O-CB 3.29Å; A1837-A1841 WeakPolarHBondContact O-CB 3.26Å; A1837-A1841 PolarHBondContact O-N 3.39Å; Y1838-A1841 PolarHBondContact O-N 3.24Å; R1839-A1841 VanDerWaalsContact C-N 3.33Å; R1839-A1841 PolarHBondContact O-N 3.35Å; A1841-M1844 PolarHBondContact O-N 3.42Å; A1841-L1845 WeakPolarHBondContact O-CB 3.31Å; A1841-L1845 WeakPolarHBondContact O-CG 3.47Å; A1841-L1845 PolarHBondContact O-N 3.46Å; A1841-F1894 HydrophobicContact CB-CD1 3.55Å; A1841-F1894 HydrophobicContact CB-CE1 3.46Å; A1841-F1894 VanDerWaalsContact CB-CE1 3.46Å; A1841-F1894 HydrophobicContact CB-CZ 4.4Å; A1841-I1897 HydrophobicContact CB-CD1 3.96Å; A1841-L1918 HydrophobicContact CB-CD1 4.44Å |
| 1842 | M | 86.5 | Confident | 78.2 | Confident | 26 Ų | 26 | 45.2 Ų | 45.2 | 13% | 0.128 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.4 | -45.9 | 173.9 | -71.8 | -63.4 | -63.1 | 0 | 0 | 111.2 | Y1838 R1839 M1844 L1845 E1846 L1918 A1921 | Y1838-M1842 HydrophobicContact CD2-CG 4Å; Y1838-M1842 HydrophobicContact CE1-CG 4.16Å; Y1838-M1842 HydrophobicContact CE2-CG 3.49Å; Y1838-M1842 VanDerWaalsContact CE2-CG 3.49Å; Y1838-M1842 HydrophobicContact CE2-SD 3.9Å; Y1838-M1842 WeakPolarHBondContact O-CG 3.44Å; Y1838-M1842 PolarHBondContact O-N 2.74Å; R1839-M1842 PolarHBondContact O-N 2.74Å; M1842-M1844 VanDerWaalsContact C-N 3.31Å; M1842-M1844 PolarHBondContact O-N 3.43Å; M1842-L1845 PolarHBondContact O-N 2.96Å; M1842-L1845 VanDerWaalsContact O-N 3.08Å; M1842-E1846 WeakPolarHBondContact O-CG 3.21Å; M1842-E1846 PolarHBondContact O-N 2.88Å; M1842-L1918 HydrophobicContact CG-CD1 4.44Å; M1842-L1918 HydrophobicContact SD-CB 4.44Å; M1842-L1918 HydrophobicContact SD-CD1 3.77Å; M1842-A1921 HydrophobicContact CE-CB 3.81Å; M1842-A1921 HydrophobicContact SD-CB 3.83Å |
| 1843 | D | 79.8 | Confident | 77 | Confident | 80 Ų | 80 | 41.9 Ų | 41.9 | 43% | 0.428 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -59.5 | -42.2 | 177.2 | -65.5 | -21.8 | 0 | 0 | 0 | 111.3 | R1839 L1840 L1845 A1847 F1858 | R1839-D1843 VanDerWaalsContact O-CG 3.27Å; R1839-D1843 PolarHBondContact O-N 3.26Å; L1840-D1843 PolarHBondContact O-N 3.36Å; D1843-L1845 PolarHBondContact O-N 3.36Å; D1843-A1847 VanDerWaalsContact O-CB 3.28Å; D1843-A1847 WeakPolarHBondContact O-CB 3.25Å; D1843-A1847 PolarHBondContact O-N 2.85Å; D1843-F1858 HydrophobicContact CB-CE1 4.3Å; D1843-F1858 HydrophobicContact CB-CZ 3.76Å |
| 1844 | M | 79.9 | Confident | 75.8 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.5 | -40.1 | 174.2 | -72.9 | 179.1 | 78 | 0 | 0 | 112.6 | V1822 L1825 L1840 A1841 M1842 A1848 F1858 L1889 P1890 F1894 | V1822-M1844 HydrophobicContact CG2-CE 3.93Å; L1825-M1844 HydrophobicContact CD2-SD 4.33Å; L1840-M1844 HydrophobicContact CG-SD 4.47Å; L1840-M1844 WeakPolarHBondContact O-CB 3Å; L1840-M1844 VanDerWaalsContact O-CG 3.24Å; L1840-M1844 WeakPolarHBondContact O-CG 3.49Å; L1840-M1844 PolarHBondContact O-N 3.15Å; A1841-M1844 PolarHBondContact O-N 3.42Å; M1842-M1844 VanDerWaalsContact C-N 3.31Å; M1842-M1844 PolarHBondContact O-N 3.43Å; M1844-A1848 WeakPolarHBondContact O-CB 3.11Å; M1844-A1848 PolarHBondContact O-N 3.43Å; M1844-F1858 HydrophobicContact CB-CD1 4.49Å; M1844-F1858 HydrophobicContact CB-CG 4.43Å; M1844-F1858 HydrophobicContact CE-CB 4.34Å; M1844-F1858 HydrophobicContact CG-CB 4.1Å; M1844-F1858 HydrophobicContact CG-CD1 3.41Å; M1844-F1858 VanDerWaalsContact CG-CD1 3.41Å; M1844-F1858 HydrophobicContact CG-CD2 4.32Å; M1844-F1858 HydrophobicContact CG-CE1 3.86Å; M1844-F1858 HydrophobicContact CG-CG 3.67Å; M1844-F1858 HydrophobicContact CG-CZ 4.49Å; M1844-L1889 HydrophobicContact CB-CD2 4.12Å; M1844-L1889 HydrophobicContact CE-CD2 4.14Å; M1844-P1890 HydrophobicContact CE-CG 4.19Å; M1844-F1894 HydrophobicContact CB-CZ 3.99Å; M1844-F1894 HydrophobicContact CE-CZ 4.44Å; M1844-F1894 HydrophobicContact SD-CE1 4.31Å; M1844-F1894 HydrophobicContact SD-CZ 4.26Å |
| 1845 | L | 78.9 | Confident | 74.6 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -72 | -41 | 178.5 | -78.5 | 166.9 | 0 | 0 | 0 | 112.3 | A1841 M1842 D1843 A1848 M1849 L1889 F1894 L1918 A1921 L1922 Y1925 | A1841-L1845 WeakPolarHBondContact O-CB 3.31Å; A1841-L1845 WeakPolarHBondContact O-CG 3.47Å; A1841-L1845 PolarHBondContact O-N 3.46Å; M1842-L1845 PolarHBondContact O-N 2.96Å; M1842-L1845 VanDerWaalsContact O-N 3.08Å; D1843-L1845 PolarHBondContact O-N 3.36Å; L1845-A1848 WeakPolarHBondContact O-CB 3.29Å; L1845-A1848 PolarHBondContact O-N 3.48Å; L1845-M1849 WeakPolarHBondContact O-CG 3.46Å; L1845-M1849 PolarHBondContact O-N 2.89Å; L1845-L1889 HydrophobicContact CD2-CD1 3.95Å; L1845-F1894 HydrophobicContact CD1-CD2 4.34Å; L1845-F1894 HydrophobicContact CD1-CE2 4.32Å; L1845-F1894 HydrophobicContact CD2-CD2 4.16Å; L1845-F1894 HydrophobicContact CD2-CE2 3.81Å; L1845-F1894 HydrophobicContact CG-CD2 4.26Å; L1845-F1894 HydrophobicContact CG-CE2 3.8Å; L1845-F1894 HydrophobicContact CG-CZ 4.28Å; L1845-L1918 HydrophobicContact CD1-CD1 3.72Å; L1845-A1921 HydrophobicContact CD1-CB 4.25Å; L1845-L1922 HydrophobicContact CD1-CD2 3.97Å; L1845-L1922 HydrophobicContact CD1-CG 4.07Å; L1845-L1922 HydrophobicContact CD2-CD2 3.92Å; L1845-Y1925 HydrophobicContact CD2-CD1 4.26Å; L1845-Y1925 HydrophobicContact CD2-CD2 4.39Å; L1845-Y1925 HydrophobicContact CD2-CG 3.93Å |
| 1846 | E | 77.1 | Confident | 73.2 | Confident | 83 Ų | 83 | 42 Ų | 42 | 39% | 0.388 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -65.3 | -43.5 | 176.8 | -75.7 | -172.3 | 176.4 | 0 | 0 | 111.4 | M1842 M1849 N1850 N1851 | M1842-E1846 WeakPolarHBondContact O-CG 3.21Å; M1842-E1846 PolarHBondContact O-N 2.88Å; E1846-M1849 PolarHBondContact O-N 3.42Å; E1846-M1849 VanDerWaalsContact O-N 3.16Å; E1846-N1850 PolarHBondContact O-N 3.33Å; E1846-N1851 PolarHBondContact O-N 3.36Å |
| 1847 | A | 71.1 | Confident | 71.8 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.7 | -47.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | D1843 M1849 N1850 A1853 P1855 F1858 | D1843-A1847 VanDerWaalsContact O-CB 3.28Å; D1843-A1847 WeakPolarHBondContact O-CB 3.25Å; D1843-A1847 PolarHBondContact O-N 2.85Å; A1847-M1849 PolarHBondContact O-N 3.05Å; A1847-N1850 PolarHBondContact O-N 2.7Å; A1847-A1853 WeakPolarHBondContact CA-O 3.42Å; A1847-A1853 HydrophobicContact CB-CB 4.39Å; A1847-A1853 VanDerWaalsContact CB-O 3.22Å; A1847-A1853 WeakPolarHBondContact CB-O 3.27Å; A1847-P1855 WeakPolarHBondContact O-CG 3.31Å; A1847-F1858 HydrophobicContact CB-CD2 3.62Å; A1847-F1858 HydrophobicContact CB-CE2 3.44Å; A1847-F1858 VanDerWaalsContact CB-CE2 3.44Å |
| 1848 | A | 68.8 | Low | 70.5 | Confident | 12 Ų | 12 | 41.4 Ų | 41.4 | 10% | 0.099 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -57.9 | -30.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | M1844 L1845 N1850 L1860 M1887 L1889 Y1925 | M1844-A1848 WeakPolarHBondContact O-CB 3.11Å; M1844-A1848 PolarHBondContact O-N 3.43Å; L1845-A1848 WeakPolarHBondContact O-CB 3.29Å; L1845-A1848 PolarHBondContact O-N 3.48Å; A1848-N1850 VanDerWaalsContact C-N 3.34Å; A1848-L1860 HydrophobicContact CB-CD1 4.47Å; A1848-M1887 HydrophobicContact CB-CE 3.25Å; A1848-M1887 WeakPolarHBondContact O-CE 3.47Å; A1848-L1889 HydrophobicContact CB-CD1 3.41Å; A1848-L1889 VanDerWaalsContact CB-CD1 3.41Å; A1848-L1889 HydrophobicContact CB-CD2 4.4Å; A1848-L1889 HydrophobicContact CB-CG 4.26Å; A1848-Y1925 HydrophobicContact CB-CD2 4.25Å; A1848-Y1925 HydrophobicContact CB-CE2 4.04Å |
| 1849 | M | 70 | Confident | 68.7 | Low | 22 Ų | 22 | 41.9 Ų | 41.9 | 11% | 0.108 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | 0.1 | 176.7 | -71.1 | -166.9 | -62.4 | 0 | 0 | 114.1 | L1845 E1846 A1847 N1851 N1924 Y1925 K1928 | L1845-M1849 WeakPolarHBondContact O-CG 3.46Å; L1845-M1849 PolarHBondContact O-N 2.89Å; E1846-M1849 PolarHBondContact O-N 3.42Å; E1846-M1849 VanDerWaalsContact O-N 3.16Å; A1847-M1849 PolarHBondContact O-N 3.05Å; M1849-N1851 VanDerWaalsContact C-N 3.35Å; M1849-N1924 HydrophobicContact SD-CB 3.93Å; M1849-Y1925 HydrophobicContact CG-CD2 4.33Å; M1849-K1928 PolarHBondContact O-NZ 3.06Å |
| 1850 | N | 63.9 | Low | 67.1 | Low | 83 Ų | 83 | 35.8 Ų | 35.8 | 44% | 0.444 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.9 | 29.4 | -170.9 | -66.7 | -17.5 | 0 | 0 | 0 | 114.6 | E1846 A1847 A1848 | E1846-N1850 PolarHBondContact O-N 3.33Å; A1847-N1850 PolarHBondContact O-N 2.7Å; A1848-N1850 VanDerWaalsContact C-N 3.34Å |
| 1851 | N | 59.6 | Low | 65.2 | Low | 118 Ų | 118 | 45.9 Ų | 45.9 | 63% | 0.631 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -105.2 | 23 | -177.8 | -83.8 | 6.8 | 0 | 0 | 0 | 114 | E1846 M1849 | E1846-N1851 PolarHBondContact O-N 3.36Å; M1849-N1851 VanDerWaalsContact C-N 3.35Å |
| 1852 | G | 61.1 | Low | 63.3 | Low | 60 Ų | 60 | 50.1 Ų | 50.1 | 62% | 0.619 | 29% | 0.289 | S | S | * | . | S | Bend | trans | 177.6 | -119.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 1853 | A | 56.5 | Low | 60.9 | Low | 50 Ų | 50 | 50.7 Ų | 50.7 | 41% | 0.413 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -60.4 | 147.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | A1847 F1858 | A1847-A1853 WeakPolarHBondContact CA-O 3.42Å; A1847-A1853 HydrophobicContact CB-CB 4.39Å; A1847-A1853 VanDerWaalsContact CB-O 3.22Å; A1847-A1853 WeakPolarHBondContact CB-O 3.27Å; A1853-F1858 HydrophobicContact CB-CE2 4.2Å |
| 1854 | D | 56.9 | Low | 58.9 | Low | 92 Ų | 92 | 50.8 Ų | 50.8 | 49% | 0.492 | 29% | 0.294 | S | S | . | . | trans | -60.4 | 126.6 | 179 | -164.5 | 15.9 | 0 | 0 | 0 | 109.4 | T1814 S1856 S1857 | T1814-D1854 HydrophobicContact CG2-CB 4.33Å; D1854-S1856 WeakPolarHBondContact CB-OG 3.19Å; D1854-S1856 PolarHBondContact O-N 2.93Å; D1854-S1856 PolarHBondContact OD2-OG 2.85Å; D1854-S1857 VanDerWaalsContact O-CB 3.28Å; D1854-S1857 WeakPolarHBondContact O-CB 3.38Å; D1854-S1857 PolarHBondContact O-N 3.3Å; D1854-S1857 PolarHBondContact O-OG 3Å | ||
| 1855 | P | 56.1 | Low | 57.1 | Low | 16 Ų | 16 | 56.7 Ų | 56.7 | 10% | 0.104 | 34% | 0.336 | C | S | . | . | G | 310 helix | trans | -51.4 | -30.1 | -178.5 | -25.5 | 29 | 0 | 0 | 0 | 113.7 | A1847 S1857 F1858 L1860 | A1847-P1855 WeakPolarHBondContact O-CG 3.31Å; P1855-S1857 PolarHBondContact O-N 3.27Å; P1855-S1857 VanDerWaalsContact O-N 3.13Å; P1855-F1858 PolarHBondContact O-N 2.88Å; P1855-F1858 VanDerWaalsContact O-N 3.15Å; P1855-L1860 CarbonylContact C-O 3.56Å; P1855-L1860 HydrophobicContact CB-CB 4.09Å; P1855-L1860 VanDerWaalsContact O-CB 3.28Å; P1855-L1860 WeakPolarHBondContact O-CB 3.43Å; P1855-L1860 PolarHBondContact O-N 3.28Å |
| 1856 | S | 54.1 | Low | 55.2 | Low | 32 Ų | 32 | 63.2 Ų | 63.2 | 22% | 0.224 | 37% | 0.371 | C | S | . | . | G | 310 helix | trans | -51.7 | -30.9 | 174.3 | 62.7 | 0 | 0 | 0 | 0 | 113.6 | D1854 F1858 G1859 L1860 | D1854-S1856 WeakPolarHBondContact CB-OG 3.19Å; D1854-S1856 PolarHBondContact O-N 2.93Å; D1854-S1856 PolarHBondContact OD2-OG 2.85Å; S1856-F1858 VanDerWaalsContact C-N 3.27Å; S1856-F1858 PolarHBondContact O-N 2.9Å; S1856-G1859 PolarHBondContact O-N 3.49Å; S1856-G1859 VanDerWaalsContact O-N 3.15Å; S1856-L1860 PolarHBondContact N-O 3.02Å |
| 1857 | S | 55.3 | Low | 53.4 | Low | 11 Ų | 11 | 64 Ų | 64 | 8% | 0.077 | 39% | 0.385 | C | S | . | . | G | 310 helix | trans | -60.7 | -26.8 | 177.8 | 58.3 | 0 | 0 | 0 | 0 | 116.1 | T1814 D1854 P1855 | T1814-S1857 VanDerWaalsContact CG2-CB 3.44Å; D1854-S1857 VanDerWaalsContact O-CB 3.28Å; D1854-S1857 WeakPolarHBondContact O-CB 3.38Å; D1854-S1857 PolarHBondContact O-N 3.3Å; D1854-S1857 PolarHBondContact O-OG 3Å; P1855-S1857 PolarHBondContact O-N 3.27Å; P1855-S1857 VanDerWaalsContact O-N 3.13Å |
| 1858 | F | 58.1 | Low | 51.6 | Low | 14 Ų | 14 | 72.9 Ų | 72.9 | 6% | 0.061 | 43% | 0.429 | C | S | . | . | G | 310 helix | trans | -104.4 | 13.8 | -179.8 | -57.9 | -73.6 | 0 | 0 | 0 | 112.2 | L1812 A1821 L1840 D1843 M1844 A1847 A1853 P1855 S1856 L1860 | L1812-F1858 HydrophobicContact CD2-CD1 4.27Å; L1812-F1858 HydrophobicContact CD2-CE1 4.14Å; A1821-F1858 HydrophobicContact CB-CB 4.16Å; A1821-F1858 HydrophobicContact CB-CD1 3.78Å; A1821-F1858 HydrophobicContact CB-CG 4.48Å; L1840-F1858 HydrophobicContact CD1-CD1 4.44Å; L1840-F1858 HydrophobicContact CD1-CE1 3.93Å; D1843-F1858 HydrophobicContact CB-CE1 4.3Å; D1843-F1858 HydrophobicContact CB-CZ 3.76Å; M1844-F1858 HydrophobicContact CB-CD1 4.49Å; M1844-F1858 HydrophobicContact CB-CG 4.43Å; M1844-F1858 HydrophobicContact CE-CB 4.34Å; M1844-F1858 HydrophobicContact CG-CB 4.1Å; M1844-F1858 HydrophobicContact CG-CD1 3.41Å; M1844-F1858 VanDerWaalsContact CG-CD1 3.41Å; M1844-F1858 HydrophobicContact CG-CD2 4.32Å; M1844-F1858 HydrophobicContact CG-CE1 3.86Å; M1844-F1858 HydrophobicContact CG-CG 3.67Å; M1844-F1858 HydrophobicContact CG-CZ 4.49Å; A1847-F1858 HydrophobicContact CB-CD2 3.62Å; A1847-F1858 HydrophobicContact CB-CE2 3.44Å; A1847-F1858 VanDerWaalsContact CB-CE2 3.44Å; A1853-F1858 HydrophobicContact CB-CE2 4.2Å; P1855-F1858 PolarHBondContact O-N 2.88Å; P1855-F1858 VanDerWaalsContact O-N 3.15Å; S1856-F1858 VanDerWaalsContact C-N 3.27Å; S1856-F1858 PolarHBondContact O-N 2.9Å; F1858-L1860 HydrophobicContact CB-CD1 3.89Å; F1858-L1860 HydrophobicContact CB-CG 4.03Å; F1858-L1860 PolarHBondContact O-N 2.9Å |
| 1859 | G | 52.5 | Low | 50 | Low | 34 Ų | 34 | 78 Ų | 78 | 35% | 0.351 | 45% | 0.454 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.1 | 10.6 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | T1818 S1856 R1861 | T1818-G1859 WeakPolarHBondContact O-CA 3.39Å; S1856-G1859 PolarHBondContact O-N 3.49Å; S1856-G1859 VanDerWaalsContact O-N 3.15Å; G1859-R1861 PolarHBondContact O-N 3.36Å |
| 1860 | L | 52.1 | Low | 48.9 | Very low | 10 Ų | 10 | 82.3 Ų | 82.3 | 5% | 0.052 | 48% | 0.484 | C | S | . | . | trans | -82.2 | 113.4 | 179.8 | -54.2 | 162.9 | 0 | 0 | 0 | 108.4 | A1848 P1855 S1856 F1858 S1862 L1889 | A1848-L1860 HydrophobicContact CB-CD1 4.47Å; P1855-L1860 CarbonylContact C-O 3.56Å; P1855-L1860 HydrophobicContact CB-CB 4.09Å; P1855-L1860 VanDerWaalsContact O-CB 3.28Å; P1855-L1860 WeakPolarHBondContact O-CB 3.43Å; P1855-L1860 PolarHBondContact O-N 3.28Å; S1856-L1860 PolarHBondContact N-O 3.02Å; F1858-L1860 HydrophobicContact CB-CD1 3.89Å; F1858-L1860 HydrophobicContact CB-CG 4.03Å; F1858-L1860 PolarHBondContact O-N 2.9Å; L1860-S1862 PolarHBondContact O-N 3.33Å; L1860-L1889 HydrophobicContact CD1-CD2 3.83Å; L1860-L1889 HydrophobicContact CD2-CD2 3.94Å; L1860-L1889 HydrophobicContact CD2-CG 4.23Å | ||
| 1861 | R | 45.8 | Very low | 47.8 | Very low | 220 Ų | 220 | 83.8 Ų | 83.8 | 83% | 0.83 | 50% | 0.496 | S | S | * | . | trans | -62.2 | 121.5 | 175.5 | -81.5 | -175.3 | 174.9 | -179.3 | 0.2 | 109.5 | G1859 T1863 | G1859-R1861 PolarHBondContact O-N 3.36Å; R1861-T1863 PolarHBondContact O-N 2.84Å | ||
| 1862 | S | 44.3 | Very low | 46.6 | Very low | 90 Ų | 90 | 85.4 Ų | 85.4 | 63% | 0.629 | 51% | 0.505 | S | S | * | . | trans | -52.8 | 116.3 | 177.8 | 165.8 | 0 | 0 | 0 | 0 | 111.3 | L1860 | L1860-S1862 PolarHBondContact O-N 3.33Š| ||
| 1863 | T | 36.7 | Very low | 45.6 | Very low | 37 Ų | 37 | 88.1 Ų | 88.1 | 23% | 0.227 | 51% | 0.512 | C | S | . | . | trans | -125.3 | 116.6 | 163.6 | 54 | 0 | 0 | 0 | 0 | 107.7 | R1861 G1885 | R1861-T1863 PolarHBondContact O-N 2.84Å; T1863-G1885 WeakPolarHBondContact CG2-O 3.49Å | ||
| 1864 | L | 39.1 | Very low | 44.4 | Very low | 83 Ų | 83 | 93.1 Ų | 93.1 | 44% | 0.435 | 53% | 0.53 | S | S | . | . | trans | 138.2 | 81.8 | 157.1 | -75.5 | 147.9 | 0 | 0 | 0 | 110.8 | N1866 I1932 | L1864-N1866 PolarHBondContact O-N 3.38Å; L1864-N1866 VanDerWaalsContact O-N 3.1Å; L1864-I1932 HydrophobicContact CD1-CD1 3.43Å; L1864-I1932 VanDerWaalsContact CD1-CD1 3.43Å; L1864-I1932 HydrophobicContact CD1-CG1 3.87Å; L1864-I1932 HydrophobicContact CD1-CG2 4.3Å | ||
| 1865 | S | 40.4 | Very low | 43.2 | Very low | 124 Ų | 124 | 100.6 Ų | 100.6 | 87% | 0.867 | 55% | 0.551 | S | S | * | * | trans | -68.2 | 100.4 | 162.4 | 55.1 | 0 | 0 | 0 | 0 | 109 | ||||
| 1866 | N | 39.9 | Very low | 42 | Very low | 137 Ų | 137 | 109.5 Ų | 109.5 | 73% | 0.733 | 59% | 0.588 | S | S | * | * | trans | -73.1 | 138.5 | 164.5 | -82.8 | -22.1 | 0 | 0 | 0 | 109.3 | L1864 | L1864-N1866 PolarHBondContact O-N 3.38Å; L1864-N1866 VanDerWaalsContact O-N 3.1Å | ||
| 1867 | S | 39.2 | Very low | 40.9 | Very low | 98 Ų | 98 | 114 Ų | 114 | 69% | 0.685 | 62% | 0.615 | S | S | * | * | trans | 79.3 | 83 | 171 | -157.9 | 0 | 0 | 0 | 0 | 115.6 | D1869 | S1867-D1869 PolarHBondContact O-N 2.82Š| ||
| 1868 | M | 33.2 | Very low | 39.7 | Very low | 187 Ų | 187 | 121 Ų | 121 | 92% | 0.921 | 65% | 0.651 | S | S | * | * | trans | -53.8 | 93.6 | 140.4 | -80.8 | -107.4 | 173.3 | 0 | 0 | 107.8 | P1870 | M1868-P1870 VanDerWaalsContact O-CD 3.3Å; M1868-P1870 WeakPolarHBondContact O-CD 3.32Å | ||
| 1869 | D | 36.4 | Very low | 38.4 | Very low | 119 Ų | 119 | 130.7 Ų | 130.7 | 64% | 0.636 | 69% | 0.693 | S | S | * | * | trans | -68.6 | 115.2 | 174.7 | -150.2 | -9.3 | 0 | 0 | 0 | 108.3 | S1867 T1871 | S1867-D1869 PolarHBondContact O-N 2.82Å; D1869-T1871 PolarHBondContact O-N 3.33Å | ||
| 1870 | P | 45.6 | Very low | 37.3 | Very low | 113 Ų | 113 | 135.1 Ų | 135.1 | 73% | 0.734 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | 10.7 | -161.5 | -13.1 | 29 | 0 | 0 | 0 | 115.5 | M1868 | M1868-P1870 VanDerWaalsContact O-CD 3.3Å; M1868-P1870 WeakPolarHBondContact O-CD 3.32Å |
| 1871 | T | 40.8 | Very low | 36.3 | Very low | 114 Ų | 114 | 143.1 Ų | 143.1 | 70% | 0.699 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.3 | 8.9 | -165.4 | 55.7 | 0 | 0 | 0 | 0 | 115.6 | D1869 | D1869-T1871 PolarHBondContact O-N 3.33Š|
| 1872 | N | 34.3 | Very low | 35.6 | Very low | 153 Ų | 153 | 141.5 Ų | 141.5 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | trans | -125.8 | 75.6 | 175.2 | -121.7 | -18.6 | 0 | 0 | 0 | 113.3 | I1874 | N1872-I1874 VanDerWaalsContact C-N 3.27Å; N1872-I1874 PolarHBondContact O-N 3.02Å; N1872-I1874 VanDerWaalsContact O-N 3.08Å | ||
| 1873 | P | 40.6 | Very low | 35.1 | Very low | 116 Ų | 116 | 145 Ų | 145 | 75% | 0.753 | 77% | 0.765 | S | S | * | * | trans | -86.5 | 50 | -176.2 | 37.6 | -35.5 | 0 | 0 | 0 | 112.4 | ||||
| 1874 | I | 31.5 | Very low | 35.1 | Very low | 156 Ų | 156 | 146 Ų | 146 | 80% | 0.8 | 77% | 0.774 | S | S | * | * | trans | -144.7 | 75.9 | 165.7 | -48.5 | 176.3 | 0 | 0 | 0 | 110.6 | N1872 | N1872-I1874 VanDerWaalsContact C-N 3.27Å; N1872-I1874 PolarHBondContact O-N 3.02Å; N1872-I1874 VanDerWaalsContact O-N 3.08Å | ||
| 1875 | R | 30.6 | Very low | 35 | Very low | 249 Ų | 249 | 144.5 Ų | 144.5 | 94% | 0.94 | 78% | 0.778 | S | S | * | * | trans | -169.1 | 67.8 | 144.8 | -107.5 | 178.4 | -168.6 | -175.1 | 4.3 | 109.4 | T1877 | R1875-T1877 PolarHBondContact O-N 3.41Š| ||
| 1876 | K | 31.8 | Very low | 35.1 | Very low | 203 Ų | 203 | 144.5 Ų | 144.5 | 88% | 0.883 | 77% | 0.773 | S | S | * | * | trans | -81.7 | 105.4 | 160.5 | -78.5 | 180 | 177.3 | 174.9 | 0 | 107.4 | ||||
| 1877 | T | 30.3 | Very low | 35.6 | Very low | 127 Ų | 127 | 139.8 Ų | 139.8 | 78% | 0.779 | 75% | 0.747 | S | S | * | * | trans | 165.4 | 93.4 | 140.1 | 47.8 | 0 | 0 | 0 | 0 | 109 | R1875 | R1875-T1877 PolarHBondContact O-N 3.41Š| ||
| 1878 | N | 31 | Very low | 36.3 | Very low | 156 Ų | 156 | 144.7 Ų | 144.7 | 83% | 0.834 | 75% | 0.752 | S | S | * | * | trans | 179.9 | 72.8 | 139.9 | -88.5 | -7.8 | 0 | 0 | 0 | 107 | T1880 | N1878-T1880 VanDerWaalsContact C-N 3.33Å; N1878-T1880 PolarHBondContact O-N 2.93Å | ||
| 1879 | K | 29.8 | Very low | 38.1 | Very low | 218 Ų | 218 | 136 Ų | 136 | 95% | 0.948 | 71% | 0.709 | S | S | * | * | trans | -79.1 | 85 | 167.3 | -80.2 | -176.6 | 172.2 | -174.1 | 0 | 107.6 | ||||
| 1880 | T | 30.7 | Very low | 39.8 | Very low | 128 Ų | 128 | 130.9 Ų | 130.9 | 79% | 0.785 | 68% | 0.682 | S | S | * | * | trans | -110 | 108.1 | 155.5 | 38 | 0 | 0 | 0 | 0 | 107 | N1878 M1882 | N1878-T1880 VanDerWaalsContact C-N 3.33Å; N1878-T1880 PolarHBondContact O-N 2.93Å; T1880-M1882 PolarHBondContact O-N 3.34Å | ||
| 1881 | M | 31.6 | Very low | 41.5 | Very low | 177 Ų | 177 | 128.3 Ų | 128.3 | 87% | 0.872 | 66% | 0.661 | S | S | * | * | trans | -54.9 | 103.2 | -177.3 | -130.3 | 149.7 | 82.4 | 0 | 0 | 109.9 | M1883 | M1881-M1883 PolarHBondContact O-N 3.1Š| ||
| 1882 | M | 30.6 | Very low | 43.4 | Very low | 187 Ų | 187 | 128 Ų | 128 | 92% | 0.921 | 66% | 0.659 | S | S | * | * | trans | -74.2 | 103.2 | 160.8 | -92.2 | -166.6 | 171.6 | 0 | 0 | 107.4 | T1880 S1884 | T1880-M1882 PolarHBondContact O-N 3.34Å; M1882-S1884 PolarHBondContact O-N 3.42Å | ||
| 1883 | M | 33.8 | Very low | 45.9 | Very low | 163 Ų | 163 | 121.6 Ų | 121.6 | 80% | 0.803 | 62% | 0.624 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 118.2 | 166.3 | -72.9 | -75.7 | -76.1 | 0 | 0 | 108.7 | M1881 G1885 | M1881-M1883 PolarHBondContact O-N 3.1Å; M1883-G1885 PolarHBondContact O-N 2.98Å |
| 1884 | S | 36.6 | Very low | 48 | Very low | 59 Ų | 59 | 116.1 Ų | 116.1 | 41% | 0.413 | 59% | 0.589 | S | S | . | * | P | Polyproline II helix | trans | -64.4 | 120.9 | -179.8 | 56.8 | 0 | 0 | 0 | 0 | 111.4 | M1882 T1886 | M1882-S1884 PolarHBondContact O-N 3.42Å; S1884-T1886 PolarHBondContact O-N 3.27Å |
| 1885 | G | 37.4 | Very low | 50.6 | Low | 50 Ų | 50 | 111.7 Ų | 111.7 | 52% | 0.515 | 57% | 0.569 | S | S | . | * | P | Polyproline II helix | trans | -66.8 | 126.8 | 172 | 0 | 0 | 0 | 0 | 0 | 111.3 | T1863 M1883 | T1863-G1885 WeakPolarHBondContact CG2-O 3.49Å; M1883-G1885 PolarHBondContact O-N 2.98Å |
| 1886 | T | 42.1 | Very low | 53.3 | Low | 125 Ų | 125 | 106.3 Ų | 106.3 | 77% | 0.767 | 55% | 0.55 | S | S | * | . | P | Polyproline II helix | trans | -57.9 | 130.8 | -179.5 | 45.4 | 0 | 0 | 0 | 0 | 113.2 | S1884 Y1888 | S1884-T1886 PolarHBondContact O-N 3.27Å; T1886-Y1888 PolarHBondContact O-N 2.7Å |
| 1887 | M | 49.9 | Very low | 56 | Low | 38 Ų | 38 | 96.7 Ų | 96.7 | 19% | 0.187 | 51% | 0.508 | C | S | . | . | trans | -57 | 113.9 | 168 | -79 | 165.9 | 66.2 | 0 | 0 | 110.7 | A1848 L1889 Y1925 | A1848-M1887 HydrophobicContact CB-CE 3.25Å; A1848-M1887 WeakPolarHBondContact O-CE 3.47Å; M1887-L1889 HydrophobicContact CE-CD1 4.4Å; M1887-L1889 PolarHBondContact O-N 3.2Å; M1887-Y1925 HydrophobicContact CE-CE2 3.7Å | ||
| 1888 | Y | 54.6 | Low | 58.6 | Low | 201 Ų | 201 | 91.8 Ų | 91.8 | 79% | 0.788 | 48% | 0.477 | S | S | * | . | trans | -97.6 | 81.5 | 175.2 | -138.8 | -90.7 | 0 | 0 | 0 | 109.3 | T1886 | T1886-Y1888 PolarHBondContact O-N 2.7Š| ||
| 1889 | L | 69.7 | Low | 61.3 | Low | 4 Ų | 4 | 88.4 Ų | 88.4 | 2% | 0.021 | 46% | 0.458 | C | S | . | . | trans | -76.8 | 138.8 | 163.9 | -80.7 | 170.4 | 0 | 0 | 0 | 108.7 | M1844 L1845 A1848 L1860 M1887 H1891 F1894 Y1925 | M1844-L1889 HydrophobicContact CB-CD2 4.12Å; M1844-L1889 HydrophobicContact CE-CD2 4.14Å; L1845-L1889 HydrophobicContact CD2-CD1 3.95Å; A1848-L1889 HydrophobicContact CB-CD1 3.41Å; A1848-L1889 VanDerWaalsContact CB-CD1 3.41Å; A1848-L1889 HydrophobicContact CB-CD2 4.4Å; A1848-L1889 HydrophobicContact CB-CG 4.26Å; L1860-L1889 HydrophobicContact CD1-CD2 3.83Å; L1860-L1889 HydrophobicContact CD2-CD2 3.94Å; L1860-L1889 HydrophobicContact CD2-CG 4.23Å; M1887-L1889 HydrophobicContact CE-CD1 4.4Å; M1887-L1889 PolarHBondContact O-N 3.2Å; L1889-H1891 PolarHBondContact O-CD2 2.98Å; L1889-H1891 PolarHBondContact O-N 3.2Å; L1889-F1894 HydrophobicContact CB-CE2 3.95Å; L1889-F1894 HydrophobicContact CD1-CE2 4.33Å; L1889-F1894 HydrophobicContact CD2-CE2 3.9Å; L1889-F1894 HydrophobicContact CD2-CZ 3.94Å; L1889-F1894 HydrophobicContact CG-CE2 4.27Å; L1889-Y1925 HydrophobicContact CD1-CD1 4.46Å; L1889-Y1925 HydrophobicContact CD1-CD2 3.93Å; L1889-Y1925 HydrophobicContact CD1-CE1 3.95Å; L1889-Y1925 HydrophobicContact CD1-CE2 3.36Å; L1889-Y1925 HydrophobicContact CD1-CG 4.43Å; L1889-Y1925 WeakPolarHBondContact CD1-OH 3.28Å | ||
| 1890 | P | 72.4 | Confident | 64 | Low | 11 Ų | 11 | 79 Ų | 79 | 7% | 0.071 | 42% | 0.422 | C | S | . | . | trans | -77.4 | 72.4 | -177.7 | 33.7 | -36.9 | 0 | 0 | 0 | 110.7 | V1822 L1825 M1844 T1892 L1893 F1894 | V1822-P1890 HydrophobicContact CG1-CB 4.03Å; V1822-P1890 HydrophobicContact CG1-CG 4.12Å; V1822-P1890 HydrophobicContact CG2-CG 4.16Å; L1825-P1890 HydrophobicContact CD2-CG 4.29Å; M1844-P1890 HydrophobicContact CE-CG 4.19Å; P1890-T1892 PolarHBondContact O-N 3.45Å; P1890-T1892 VanDerWaalsContact O-N 3.08Å; P1890-L1893 HydrophobicContact CB-CB 4.22Å; P1890-L1893 HydrophobicContact CB-CD1 3.76Å; P1890-L1893 HydrophobicContact CB-CG 4.01Å; P1890-L1893 HydrophobicContact CG-CB 4.47Å; P1890-L1893 HydrophobicContact CG-CD1 4.1Å; P1890-L1893 WeakPolarHBondContact O-CB 3.3Å; P1890-L1893 PolarHBondContact O-N 3.12Å; P1890-F1894 HydrophobicContact CG-CE1 4.17Å; P1890-F1894 HydrophobicContact CG-CZ 4.18Å; P1890-F1894 PolarHBondContact O-N 3.16Å | ||
| 1891 | H | 80.5 | Confident | 66.6 | Low | 60 Ų | 60 | 73 Ų | 73 | 28% | 0.278 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -53.4 | -35.3 | -175.5 | -61.2 | 157.8 | 0 | 0 | 0 | 112.9 | L1889 L1893 F1894 V1895 Y1925 F1926 | L1889-H1891 PolarHBondContact O-CD2 2.98Å; L1889-H1891 PolarHBondContact O-N 3.2Å; H1891-L1893 VanDerWaalsContact C-N 3.33Å; H1891-L1893 PolarHBondContact O-N 2.98Å; H1891-F1894 PolarHBondContact O-N 3.49Å; H1891-V1895 WeakPolarHBondContact O-CB 3.43Å; H1891-V1895 VanDerWaalsContact O-CG2 3.23Å; H1891-V1895 WeakPolarHBondContact O-CG2 3.15Å; H1891-V1895 PolarHBondContact O-N 3.04Å; H1891-Y1925 AromaticContact NE2-CE1 3.26Å; H1891-Y1925 VanDerWaalsContact NE2-CE1 3.26Å; H1891-Y1925 WeakPolarHBondContact NE2-CE1 3.42Å; H1891-Y1925 AromaticContact NE2-CZ 3.88Å; H1891-F1926 AromaticContact CE1-CE1 3.72Å; H1891-F1926 AromaticContact ND1-CE1 3.85Å; H1891-F1926 AromaticContact ND1-CZ 3.95Å |
| 1892 | T | 82.2 | Confident | 69.2 | Low | 107 Ų | 107 | 70.4 Ų | 70.4 | 66% | 0.656 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -61 | -39.5 | 177.2 | 49.3 | 0 | 0 | 0 | 0 | 112.5 | P1890 Y1896 | P1890-T1892 PolarHBondContact O-N 3.45Å; P1890-T1892 VanDerWaalsContact O-N 3.08Å; T1892-Y1896 WeakPolarHBondContact O-CB 3.36Å; T1892-Y1896 PolarHBondContact O-N 2.85Å |
| 1893 | L | 85.6 | Confident | 71.8 | Confident | 19 Ų | 19 | 68.3 Ų | 68.3 | 10% | 0.099 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -70.8 | -40.4 | 176.5 | -60.6 | -179.9 | 0 | 0 | 0 | 111.2 | V1822 L1825 R1826 I1829 P1890 H1891 Y1896 I1897 | V1822-L1893 HydrophobicContact CG1-CD1 3.98Å; L1825-L1893 HydrophobicContact CD2-CB 3.97Å; L1825-L1893 HydrophobicContact CD2-CD1 4.02Å; L1825-L1893 HydrophobicContact CG-CD1 4.49Å; R1826-L1893 HydrophobicContact CG-CD1 3.52Å; R1826-L1893 HydrophobicContact CG-CD2 4.03Å; R1826-L1893 HydrophobicContact CG-CG 4.45Å; I1829-L1893 HydrophobicContact CD1-CB 3.92Å; I1829-L1893 HydrophobicContact CD1-CD2 4Å; I1829-L1893 HydrophobicContact CD1-CG 4.41Å; P1890-L1893 HydrophobicContact CB-CB 4.22Å; P1890-L1893 HydrophobicContact CB-CD1 3.76Å; P1890-L1893 HydrophobicContact CB-CG 4.01Å; P1890-L1893 HydrophobicContact CG-CB 4.47Å; P1890-L1893 HydrophobicContact CG-CD1 4.1Å; P1890-L1893 WeakPolarHBondContact O-CB 3.3Å; P1890-L1893 PolarHBondContact O-N 3.12Å; H1891-L1893 VanDerWaalsContact C-N 3.33Å; H1891-L1893 PolarHBondContact O-N 2.98Å; L1893-Y1896 WeakPolarHBondContact O-CB 3.35Å; L1893-Y1896 PolarHBondContact O-N 3.18Å; L1893-I1897 WeakPolarHBondContact O-CG1 3.39Å; L1893-I1897 PolarHBondContact O-N 3.07Å |
| 1894 | F | 86.4 | Confident | 74.2 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -64.1 | -41.4 | 176.1 | -61.4 | -20.5 | 0 | 0 | 0 | 112 | L1825 A1841 M1844 L1845 L1889 P1890 H1891 Y1896 I1897 L1898 L1922 | L1825-F1894 HydrophobicContact CD2-CD1 4.01Å; L1825-F1894 HydrophobicContact CD2-CE1 3.65Å; A1841-F1894 HydrophobicContact CB-CD1 3.55Å; A1841-F1894 HydrophobicContact CB-CE1 3.46Å; A1841-F1894 VanDerWaalsContact CB-CE1 3.46Å; A1841-F1894 HydrophobicContact CB-CZ 4.4Å; M1844-F1894 HydrophobicContact CB-CZ 3.99Å; M1844-F1894 HydrophobicContact CE-CZ 4.44Å; M1844-F1894 HydrophobicContact SD-CE1 4.31Å; M1844-F1894 HydrophobicContact SD-CZ 4.26Å; L1845-F1894 HydrophobicContact CD1-CD2 4.34Å; L1845-F1894 HydrophobicContact CD1-CE2 4.32Å; L1845-F1894 HydrophobicContact CD2-CD2 4.16Å; L1845-F1894 HydrophobicContact CD2-CE2 3.81Å; L1845-F1894 HydrophobicContact CG-CD2 4.26Å; L1845-F1894 HydrophobicContact CG-CE2 3.8Å; L1845-F1894 HydrophobicContact CG-CZ 4.28Å; L1889-F1894 HydrophobicContact CB-CE2 3.95Å; L1889-F1894 HydrophobicContact CD1-CE2 4.33Å; L1889-F1894 HydrophobicContact CD2-CE2 3.9Å; L1889-F1894 HydrophobicContact CD2-CZ 3.94Å; L1889-F1894 HydrophobicContact CG-CE2 4.27Å; P1890-F1894 HydrophobicContact CG-CE1 4.17Å; P1890-F1894 HydrophobicContact CG-CZ 4.18Å; P1890-F1894 PolarHBondContact O-N 3.16Å; H1891-F1894 PolarHBondContact O-N 3.49Å; F1894-Y1896 VanDerWaalsContact C-N 3.33Å; F1894-I1897 PolarHBondContact O-N 2.82Å; F1894-L1898 WeakPolarHBondContact O-CB 3.37Å; F1894-L1898 PolarHBondContact O-N 2.92Å; F1894-L1922 HydrophobicContact CB-CD1 4.23Å; F1894-L1922 HydrophobicContact CB-CD2 4.08Å; F1894-L1922 HydrophobicContact CD2-CD2 3.87Å; F1894-L1922 HydrophobicContact CG-CD2 4.42Å |
| 1895 | V | 85.9 | Confident | 76.1 | Confident | 64 Ų | 64 | 62.3 Ų | 62.3 | 39% | 0.388 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -65 | -37.9 | 174 | 171.5 | 0 | 0 | 0 | 0 | 111.1 | H1891 L1898 N1899 | H1891-V1895 WeakPolarHBondContact O-CB 3.43Å; H1891-V1895 VanDerWaalsContact O-CG2 3.23Å; H1891-V1895 WeakPolarHBondContact O-CG2 3.15Å; H1891-V1895 PolarHBondContact O-N 3.04Å; V1895-L1898 WeakPolarHBondContact O-CB 3.45Å; V1895-L1898 PolarHBondContact O-N 3.36Å; V1895-N1899 WeakPolarHBondContact O-CB 3.11Å; V1895-N1899 VanDerWaalsContact O-CG 3.31Å; V1895-N1899 PolarHBondContact O-N 3Å; V1895-N1899 PolarHBondContact O-ND2 3.36Å |
| 1896 | Y | 86.8 | Confident | 78 | Confident | 136 Ų | 136 | 65.1 Ų | 65.1 | 53% | 0.533 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -60.9 | -47.7 | 173.6 | -175 | -84.7 | 0 | 0 | 0 | 111.6 | I1829 T1892 L1893 F1894 L1898 N1899 A1900 | I1829-Y1896 HydrophobicContact CG2-CD1 3.49Å; I1829-Y1896 VanDerWaalsContact CG2-CD1 3.49Å; I1829-Y1896 HydrophobicContact CG2-CE1 3.34Å; I1829-Y1896 HydrophobicContact CG2-CG 4.45Å; T1892-Y1896 WeakPolarHBondContact O-CB 3.36Å; T1892-Y1896 PolarHBondContact O-N 2.85Å; L1893-Y1896 WeakPolarHBondContact O-CB 3.35Å; L1893-Y1896 PolarHBondContact O-N 3.18Å; F1894-Y1896 VanDerWaalsContact C-N 3.33Å; Y1896-L1898 VanDerWaalsContact C-N 3.33Å; Y1896-L1898 PolarHBondContact O-N 3.48Å; Y1896-N1899 PolarHBondContact O-N 3.19Å; Y1896-A1900 WeakPolarHBondContact O-CB 3.33Å; Y1896-A1900 PolarHBondContact O-N 2.92Å |
| 1897 | I | 87.3 | Confident | 79.9 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -60.2 | -44.8 | 176.2 | -65.7 | 164.5 | 0 | 0 | 0 | 110.5 | L1825 I1829 L1834 A1837 A1841 L1893 F1894 N1899 A1900 L1901 L1918 | L1825-I1897 HydrophobicContact CD1-CD1 3.89Å; L1825-I1897 HydrophobicContact CD2-CD1 4.44Å; L1825-I1897 HydrophobicContact CG-CD1 4.37Å; I1829-I1897 HydrophobicContact CD1-CD1 3.96Å; I1829-I1897 HydrophobicContact CD1-CG1 3.87Å; I1829-I1897 HydrophobicContact CG1-CD1 4.25Å; I1829-I1897 HydrophobicContact CG1-CG1 3.97Å; L1834-I1897 HydrophobicContact CD1-CG2 4.15Å; A1837-I1897 HydrophobicContact CB-CD1 3.97Å; A1837-I1897 HydrophobicContact CB-CG1 4.34Å; A1841-I1897 HydrophobicContact CB-CD1 3.96Å; L1893-I1897 WeakPolarHBondContact O-CG1 3.39Å; L1893-I1897 PolarHBondContact O-N 3.07Å; F1894-I1897 PolarHBondContact O-N 2.82Å; I1897-N1899 PolarHBondContact O-N 3.28Å; I1897-A1900 PolarHBondContact O-N 2.93Å; I1897-L1901 HydrophobicContact CG2-CD1 3.77Å; I1897-L1901 HydrophobicContact CG2-CG 4.26Å; I1897-L1901 WeakPolarHBondContact O-CB 3.35Å; I1897-L1901 VanDerWaalsContact O-CG 3.3Å; I1897-L1901 WeakPolarHBondContact O-CG 3.42Å; I1897-L1901 PolarHBondContact O-N 3.12Å; I1897-L1918 HydrophobicContact CB-CD2 4.15Å; I1897-L1918 HydrophobicContact CG2-CD2 3.78Å |
| 1898 | L | 85.3 | Confident | 81.3 | Confident | 24 Ų | 24 | 67 Ų | 67 | 13% | 0.126 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -57.4 | -49.9 | 176.6 | -164.5 | 83.4 | 0 | 0 | 0 | 111.1 | F1894 V1895 Y1896 A1900 L1901 K1902 H1915 L1918 E1919 | F1894-L1898 WeakPolarHBondContact O-CB 3.37Å; F1894-L1898 PolarHBondContact O-N 2.92Å; V1895-L1898 WeakPolarHBondContact O-CB 3.45Å; V1895-L1898 PolarHBondContact O-N 3.36Å; Y1896-L1898 VanDerWaalsContact C-N 3.33Å; Y1896-L1898 PolarHBondContact O-N 3.48Å; L1898-A1900 PolarHBondContact O-N 3.19Å; L1898-L1901 PolarHBondContact O-N 2.92Å; L1898-K1902 WeakPolarHBondContact O-CB 3.27Å; L1898-K1902 PolarHBondContact O-N 3.14Å; L1898-H1915 WeakPolarHBondContact CD1-O 3.41Å; L1898-H1915 PolarHBondContact O-CD2 3.49Å; L1898-H1915 VanDerWaalsContact O-CD2 3.31Å; L1898-L1918 HydrophobicContact CB-CD2 4.11Å; L1898-L1918 HydrophobicContact CD1-CB 3.84Å; L1898-L1918 HydrophobicContact CD1-CD2 3.92Å; L1898-L1918 HydrophobicContact CD1-CG 3.92Å; L1898-E1919 HydrophobicContact CD1-CB 3.91Å; L1898-E1919 HydrophobicContact CD2-CG 4.49Å |
| 1899 | N | 88.5 | Confident | 82.7 | Confident | 85 Ų | 85 | 65.9 Ų | 65.9 | 46% | 0.455 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -64.5 | -39.8 | 179.4 | -73.4 | -23.9 | 0 | 0 | 0 | 112.6 | V1895 Y1896 I1897 K1902 L1903 | V1895-N1899 WeakPolarHBondContact O-CB 3.11Å; V1895-N1899 VanDerWaalsContact O-CG 3.31Å; V1895-N1899 PolarHBondContact O-N 3Å; V1895-N1899 PolarHBondContact O-ND2 3.36Å; Y1896-N1899 PolarHBondContact O-N 3.19Å; I1897-N1899 PolarHBondContact O-N 3.28Å; N1899-K1902 WeakPolarHBondContact O-CB 3.31Å; N1899-K1902 PolarHBondContact O-N 2.87Å; N1899-L1903 PolarHBondContact O-N 3.27Å |
| 1900 | A | 85.6 | Confident | 83.3 | Confident | 21 Ų | 21 | 70 Ų | 70 | 17% | 0.174 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -65.3 | -43.1 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | L1834 Y1896 I1897 L1898 K1902 L1903 L1904 | L1834-A1900 HydrophobicContact CD1-CB 3.62Å; L1834-A1900 HydrophobicContact CD2-CB 4.1Å; Y1896-A1900 WeakPolarHBondContact O-CB 3.33Å; Y1896-A1900 PolarHBondContact O-N 2.92Å; I1897-A1900 PolarHBondContact O-N 2.93Å; L1898-A1900 PolarHBondContact O-N 3.19Å; A1900-K1902 VanDerWaalsContact C-N 3.32Å; A1900-K1902 PolarHBondContact O-N 3.34Å; A1900-L1903 PolarHBondContact O-N 2.96Å; A1900-L1904 PolarHBondContact O-N 3.02Å |
| 1901 | L | 86.4 | Confident | 83.8 | Confident | 1 Ų | 1 | 70.4 Ų | 70.4 | 1% | 0.005 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -63.5 | -37.9 | 174 | -73 | 169.8 | 0 | 0 | 0 | 111.7 | L1834 Y1838 I1897 L1898 L1904 S1905 C1911 M1914 H1915 L1918 | L1834-L1901 HydrophobicContact CD2-CD2 3.47Å; L1834-L1901 VanDerWaalsContact CD2-CD2 3.47Å; L1834-L1901 HydrophobicContact CD2-CG 3.79Å; L1834-L1901 HydrophobicContact CG-CD2 3.88Å; L1834-L1901 HydrophobicContact CG-CG 4.09Å; Y1838-L1901 HydrophobicContact CD2-CD1 3.96Å; Y1838-L1901 HydrophobicContact CG-CD1 4.43Å; I1897-L1901 HydrophobicContact CG2-CD1 3.77Å; I1897-L1901 HydrophobicContact CG2-CG 4.26Å; I1897-L1901 WeakPolarHBondContact O-CB 3.35Å; I1897-L1901 VanDerWaalsContact O-CG 3.3Å; I1897-L1901 WeakPolarHBondContact O-CG 3.42Å; I1897-L1901 PolarHBondContact O-N 3.12Å; L1898-L1901 PolarHBondContact O-N 2.92Å; L1901-L1904 CarbonylContact O-C 3.53Å; L1901-L1904 PolarHBondContact O-N 3.39Å; L1901-S1905 WeakPolarHBondContact O-CB 3.08Å; L1901-S1905 PolarHBondContact O-N 2.76Å; L1901-C1911 HydrophobicContact CD2-CB 4.16Å; L1901-M1914 HydrophobicContact CD1-CB 3.9Å; L1901-M1914 HydrophobicContact CD2-CB 3.96Å; L1901-M1914 HydrophobicContact CD2-SD 4.23Å; L1901-H1915 HydrophobicContact CB-CB 3.99Å; L1901-L1918 HydrophobicContact CD1-CD2 4.41Å |
| 1902 | K | 86.7 | Confident | 84.1 | Confident | 124 Ų | 124 | 72.2 Ų | 72.2 | 54% | 0.539 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -61.8 | -43.1 | 175.1 | -169.6 | 174.5 | 180 | 173.1 | 0 | 112.1 | L1898 N1899 A1900 L1904 S1905 | L1898-K1902 WeakPolarHBondContact O-CB 3.27Å; L1898-K1902 PolarHBondContact O-N 3.14Å; N1899-K1902 WeakPolarHBondContact O-CB 3.31Å; N1899-K1902 PolarHBondContact O-N 2.87Å; A1900-K1902 VanDerWaalsContact C-N 3.32Å; A1900-K1902 PolarHBondContact O-N 3.34Å; K1902-L1904 VanDerWaalsContact C-N 3.28Å; K1902-L1904 PolarHBondContact O-N 3.26Å; K1902-S1905 WeakPolarHBondContact O-CB 3.46Å; K1902-S1905 PolarHBondContact O-N 2.73Å; K1902-S1905 PolarHBondContact O-OG 3.41Å |
| 1903 | L | 85.4 | Confident | 84.3 | Confident | 142 Ų | 142 | 69.5 Ų | 69.5 | 74% | 0.743 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -62.6 | -35.3 | 177.1 | -111.3 | 135.5 | 0 | 0 | 0 | 112.3 | N1899 A1900 P1906 | N1899-L1903 PolarHBondContact O-N 3.27Å; A1900-L1903 PolarHBondContact O-N 2.96Å; L1903-P1906 WeakPolarHBondContact O-CD 3.11Å |
| 1904 | L | 82.4 | Confident | 84.4 | Confident | 67 Ų | 67 | 69.9 Ų | 69.9 | 35% | 0.351 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -89.6 | -13.9 | 179.5 | -65.2 | 164.4 | 0 | 0 | 0 | 114.1 | L1834 A1900 L1901 K1902 P1906 E1907 S1908 C1911 | L1834-L1904 HydrophobicContact CD2-CD1 3.51Å; A1900-L1904 PolarHBondContact O-N 3.02Å; L1901-L1904 CarbonylContact O-C 3.53Å; L1901-L1904 PolarHBondContact O-N 3.39Å; K1902-L1904 VanDerWaalsContact C-N 3.28Å; K1902-L1904 PolarHBondContact O-N 3.26Å; L1904-P1906 VanDerWaalsContact C-CD 3.41Å; L1904-E1907 PolarHBondContact O-N 3.2Å; L1904-S1908 PolarHBondContact O-N 3.45Å; L1904-S1908 VanDerWaalsContact O-N 3.12Å; L1904-C1911 HydrophobicContact CB-CB 4.16Å |
| 1905 | S | 77.8 | Confident | 84.6 | Confident | 30 Ų | 30 | 70.8 Ų | 70.8 | 21% | 0.21 | 37% | 0.372 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | -39.2 | -179.8 | 68.5 | 0 | 0 | 0 | 0 | 115.7 | L1901 K1902 E1907 | L1901-S1905 WeakPolarHBondContact O-CB 3.08Å; L1901-S1905 PolarHBondContact O-N 2.76Å; K1902-S1905 WeakPolarHBondContact O-CB 3.46Å; K1902-S1905 PolarHBondContact O-N 2.73Å; K1902-S1905 PolarHBondContact O-OG 3.41Å; S1905-E1907 VanDerWaalsContact C-N 3.25Å; S1905-E1907 PolarHBondContact O-N 3.09Å |
| 1906 | P | 77.6 | Confident | 84.7 | Confident | 108 Ų | 108 | 71.7 Ų | 71.7 | 70% | 0.701 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -22.6 | 178.1 | 26.6 | -34.3 | 0 | 0 | 0 | 113.5 | L1903 L1904 | L1903-P1906 WeakPolarHBondContact O-CD 3.11Å; L1904-P1906 VanDerWaalsContact C-CD 3.41Å |
| 1907 | E | 80.7 | Confident | 84.8 | Confident | 166 Ų | 166 | 69.4 Ų | 69.4 | 78% | 0.776 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | -27.8 | -178.6 | -61.8 | -176.4 | 171.1 | 0 | 0 | 112.3 | L1904 S1905 | L1904-E1907 PolarHBondContact O-N 3.2Å; S1905-E1907 VanDerWaalsContact C-N 3.25Å; S1905-E1907 PolarHBondContact O-N 3.09Å |
| 1908 | S | 80.6 | Confident | 84.8 | Confident | 37 Ų | 37 | 69.4 Ų | 69.4 | 26% | 0.259 | 37% | 0.372 | S | S | . | . | trans | -136.8 | 116.2 | -176.2 | 175.4 | 0 | 0 | 0 | 0 | 112.6 | L1904 T1910 C1911 E1912 | L1904-S1908 PolarHBondContact O-N 3.45Å; L1904-S1908 VanDerWaalsContact O-N 3.12Å; S1908-T1910 PolarHBondContact O-N 2.83Å; S1908-T1910 VanDerWaalsContact O-N 3.16Å; S1908-T1910 PolarHBondContact OG-N 3.01Å; S1908-T1910 PolarHBondContact OG-OG1 3.34Å; S1908-C1911 PolarHBondContact O-N 2.78Å; S1908-C1911 PolarHBondContact OG-N 2.84Å; S1908-E1912 PolarHBondContact O-N 3.46Å; S1908-E1912 VanDerWaalsContact O-N 3.13Å | ||
| 1909 | K | 82.9 | Confident | 85 | Confident | 178 Ų | 178 | 71 Ų | 71 | 77% | 0.774 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -56.9 | -28.5 | 172.4 | -71 | -174.1 | 176.4 | -177.9 | 0 | 113.2 | A1913 | K1909-A1913 PolarHBondContact O-N 3.44Å; K1909-A1913 VanDerWaalsContact O-N 3.14Å |
| 1910 | T | 82.2 | Confident | 85 | Confident | 89 Ų | 89 | 69.9 Ų | 69.9 | 55% | 0.546 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -72.3 | -37.7 | 177.5 | 59.3 | 0 | 0 | 0 | 0 | 111.2 | S1908 A1913 M1914 | S1908-T1910 PolarHBondContact O-N 2.83Å; S1908-T1910 VanDerWaalsContact O-N 3.16Å; S1908-T1910 PolarHBondContact OG-N 3.01Å; S1908-T1910 PolarHBondContact OG-OG1 3.34Å; T1910-A1913 PolarHBondContact O-N 3.49Å; T1910-M1914 VanDerWaalsContact O-CG 3.25Å; T1910-M1914 WeakPolarHBondContact O-CG 3.37Å; T1910-M1914 PolarHBondContact O-N 3.19Å |
| 1911 | C | 84 | Confident | 85 | Confident | 20 Ų | 20 | 69.2 Ų | 69.2 | 14% | 0.135 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -67.8 | -36.4 | 175.3 | -66.3 | 0 | 0 | 0 | 0 | 112 | L1901 L1904 S1908 M1914 H1915 | L1901-C1911 HydrophobicContact CD2-CB 4.16Å; L1904-C1911 HydrophobicContact CB-CB 4.16Å; S1908-C1911 PolarHBondContact O-N 2.78Å; S1908-C1911 PolarHBondContact OG-N 2.84Å; C1911-M1914 PolarHBondContact O-N 3.44Å; C1911-H1915 WeakPolarHBondContact O-CB 3.3Å; C1911-H1915 PolarHBondContact O-N 3.45Å |
| 1912 | E | 85.3 | Confident | 84.8 | Confident | 99 Ų | 99 | 69.7 Ų | 69.7 | 46% | 0.463 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -58.8 | -50.4 | 171.1 | -171.6 | -178.7 | -167.9 | 0 | 0 | 111.1 | S1908 M1914 H1915 D1916 | S1908-E1912 PolarHBondContact O-N 3.46Å; S1908-E1912 VanDerWaalsContact O-N 3.13Å; E1912-M1914 PolarHBondContact O-N 2.73Å; E1912-H1915 WeakPolarHBondContact O-CB 2.93Å; E1912-H1915 PolarHBondContact O-N 3.37Å; E1912-D1916 PolarHBondContact O-N 3.33Å |
| 1913 | A | 86.5 | Confident | 84.8 | Confident | 50 Ų | 50 | 71.2 Ų | 71.2 | 41% | 0.413 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -61.8 | -40.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | K1909 T1910 N1917 | K1909-A1913 PolarHBondContact O-N 3.44Å; K1909-A1913 VanDerWaalsContact O-N 3.14Å; T1910-A1913 PolarHBondContact O-N 3.49Å; A1913-N1917 VanDerWaalsContact O-CB 3.3Å; A1913-N1917 WeakPolarHBondContact O-CB 3.45Å; A1913-N1917 PolarHBondContact O-N 3.27Å; A1913-N1917 PolarHBondContact O-ND2 3.36Å |
| 1914 | M | 88.6 | Confident | 84.6 | Confident | 27 Ų | 27 | 68.8 Ų | 68.8 | 13% | 0.133 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -64.3 | -41.4 | 175.5 | -71.1 | 175.5 | -173.3 | 0 | 0 | 111.9 | E1835 Y1838 L1901 T1910 C1911 E1912 L1918 | E1835-M1914 HydrophobicContact CB-CE 4.46Å; E1835-M1914 HydrophobicContact CG-CE 3.75Å; E1835-M1914 HydrophobicContact CG-SD 4.47Å; Y1838-M1914 HydrophobicContact CD1-CB 4.24Å; Y1838-M1914 HydrophobicContact CD1-CG 3.81Å; Y1838-M1914 HydrophobicContact CD1-SD 3.93Å; Y1838-M1914 HydrophobicContact CD2-CB 4.05Å; Y1838-M1914 HydrophobicContact CE1-CB 4.13Å; Y1838-M1914 HydrophobicContact CE1-CG 3.66Å; Y1838-M1914 HydrophobicContact CE1-SD 4.34Å; Y1838-M1914 HydrophobicContact CE2-CB 3.93Å; Y1838-M1914 HydrophobicContact CE2-CG 4.38Å; Y1838-M1914 WeakPolarHBondContact CE2-O 3.23Å; Y1838-M1914 HydrophobicContact CG-CB 4.21Å; Y1838-M1914 HydrophobicContact CG-CG 4.25Å; Y1838-M1914 HydrophobicContact CG-SD 4.32Å; L1901-M1914 HydrophobicContact CD1-CB 3.9Å; L1901-M1914 HydrophobicContact CD2-CB 3.96Å; L1901-M1914 HydrophobicContact CD2-SD 4.23Å; T1910-M1914 VanDerWaalsContact O-CG 3.25Å; T1910-M1914 WeakPolarHBondContact O-CG 3.37Å; T1910-M1914 PolarHBondContact O-N 3.19Å; C1911-M1914 PolarHBondContact O-N 3.44Å; E1912-M1914 PolarHBondContact O-N 2.73Å; M1914-L1918 WeakPolarHBondContact O-CB 3.33Å; M1914-L1918 PolarHBondContact O-N 3.17Å |
| 1915 | H | 89.7 | Confident | 84.5 | Confident | 19 Ų | 19 | 65.9 Ų | 65.9 | 9% | 0.088 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -57.9 | -53.2 | 175.5 | 171.3 | -84 | 0 | 0 | 0 | 110.8 | L1898 L1901 C1911 E1912 N1917 L1918 E1919 | L1898-H1915 WeakPolarHBondContact CD1-O 3.41Å; L1898-H1915 PolarHBondContact O-CD2 3.49Å; L1898-H1915 VanDerWaalsContact O-CD2 3.31Å; L1901-H1915 HydrophobicContact CB-CB 3.99Å; C1911-H1915 WeakPolarHBondContact O-CB 3.3Å; C1911-H1915 PolarHBondContact O-N 3.45Å; E1912-H1915 WeakPolarHBondContact O-CB 2.93Å; E1912-H1915 PolarHBondContact O-N 3.37Å; H1915-N1917 VanDerWaalsContact C-N 3.32Å; H1915-N1917 PolarHBondContact O-N 3.46Å; H1915-L1918 PolarHBondContact O-N 3.09Å; H1915-E1919 IonicContact CE1-OE2 3.75Å; H1915-E1919 PolarHBondContact CE1-OE2 3.39Å; H1915-E1919 WeakPolarHBondContact O-CB 3.17Å; H1915-E1919 PolarHBondContact O-N 3.26Å |
| 1916 | D | 87.8 | Confident | 84.6 | Confident | 83 Ų | 83 | 68.8 Ų | 68.8 | 44% | 0.444 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -64.5 | -39.2 | -176.7 | -68.1 | -9 | 0 | 0 | 0 | 111.7 | E1912 E1919 S1920 | E1912-D1916 PolarHBondContact O-N 3.33Å; D1916-E1919 PolarHBondContact O-N 2.97Å; D1916-S1920 VanDerWaalsContact O-CB 3.28Å; D1916-S1920 WeakPolarHBondContact O-CB 3.25Å; D1916-S1920 PolarHBondContact O-N 3.29Å |
| 1917 | N | 89.3 | Confident | 84.8 | Confident | 88 Ų | 88 | 68.1 Ų | 68.1 | 47% | 0.471 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -64.1 | -45.9 | 175.6 | -74 | -18.4 | 0 | 0 | 0 | 112 | Y1838 A1913 H1915 S1920 A1921 | Y1838-N1917 VanDerWaalsContact OH-CB 3.26Å; Y1838-N1917 WeakPolarHBondContact OH-CB 3.26Å; A1913-N1917 VanDerWaalsContact O-CB 3.3Å; A1913-N1917 WeakPolarHBondContact O-CB 3.45Å; A1913-N1917 PolarHBondContact O-N 3.27Å; A1913-N1917 PolarHBondContact O-ND2 3.36Å; H1915-N1917 VanDerWaalsContact C-N 3.32Å; H1915-N1917 PolarHBondContact O-N 3.46Å; N1917-S1920 PolarHBondContact O-N 3.07Å; N1917-A1921 WeakPolarHBondContact O-CB 3.43Å; N1917-A1921 PolarHBondContact O-N 3.08Å |
| 1918 | L | 88.2 | Confident | 84.3 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -65.9 | -41.6 | 177.9 | -172.8 | 63.5 | 0 | 0 | 0 | 111.1 | Y1838 A1841 M1842 L1845 I1897 L1898 L1901 M1914 H1915 A1921 L1922 | Y1838-L1918 HydrophobicContact CD2-CB 4.15Å; Y1838-L1918 HydrophobicContact CD2-CD2 4.46Å; Y1838-L1918 HydrophobicContact CE2-CB 3.9Å; A1841-L1918 HydrophobicContact CB-CD1 4.44Å; M1842-L1918 HydrophobicContact CG-CD1 4.44Å; M1842-L1918 HydrophobicContact SD-CB 4.44Å; M1842-L1918 HydrophobicContact SD-CD1 3.77Å; L1845-L1918 HydrophobicContact CD1-CD1 3.72Å; I1897-L1918 HydrophobicContact CB-CD2 4.15Å; I1897-L1918 HydrophobicContact CG2-CD2 3.78Å; L1898-L1918 HydrophobicContact CB-CD2 4.11Å; L1898-L1918 HydrophobicContact CD1-CB 3.84Å; L1898-L1918 HydrophobicContact CD1-CD2 3.92Å; L1898-L1918 HydrophobicContact CD1-CG 3.92Å; L1901-L1918 HydrophobicContact CD1-CD2 4.41Å; M1914-L1918 WeakPolarHBondContact O-CB 3.33Å; M1914-L1918 PolarHBondContact O-N 3.17Å; H1915-L1918 PolarHBondContact O-N 3.09Å; L1918-A1921 PolarHBondContact O-N 3.38Å; L1918-L1922 HydrophobicContact CG-CD1 4.13Å; L1918-L1922 WeakPolarHBondContact O-CB 3.46Å; L1918-L1922 WeakPolarHBondContact O-CG 3.39Å; L1918-L1922 PolarHBondContact O-N 3.45Å |
| 1919 | E | 89.5 | Confident | 83.8 | Confident | 58 Ų | 58 | 65.3 Ų | 65.3 | 27% | 0.271 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -60.7 | -46.9 | 176.8 | -161.7 | -172.9 | 154.7 | 0 | 0 | 110.8 | L1898 H1915 D1916 L1922 R1923 | L1898-E1919 HydrophobicContact CD1-CB 3.91Å; L1898-E1919 HydrophobicContact CD2-CG 4.49Å; H1915-E1919 IonicContact CE1-OE2 3.75Å; H1915-E1919 PolarHBondContact CE1-OE2 3.39Å; H1915-E1919 WeakPolarHBondContact O-CB 3.17Å; H1915-E1919 PolarHBondContact O-N 3.26Å; D1916-E1919 PolarHBondContact O-N 2.97Å; E1919-L1922 PolarHBondContact O-N 3.14Å; E1919-R1923 WeakPolarHBondContact O-CB 3.44Å; E1919-R1923 VanDerWaalsContact O-CG 3.31Å; E1919-R1923 WeakPolarHBondContact O-CG 3.47Å; E1919-R1923 PolarHBondContact O-N 3.37Å; E1919-R1923 IonicContact OE1-CZ 2.72Å; E1919-R1923 VanDerWaalsContact OE1-CZ 3.31Å; E1919-R1923 IonicContact OE1-NE 3.52Å; E1919-R1923 PolarHBondContact OE1-NE 3.29Å; E1919-R1923 IonicContact OE1-NH2 2.7Å; E1919-R1923 PolarHBondContact OE1-NH2 2.74Å |
| 1920 | S | 87.5 | Confident | 83.3 | Confident | 60 Ų | 60 | 61.7 Ų | 61.7 | 42% | 0.42 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -61.4 | -45.1 | 176.8 | 179.5 | 0 | 0 | 0 | 0 | 111.7 | D1916 N1917 R1923 N1924 | D1916-S1920 VanDerWaalsContact O-CB 3.28Å; D1916-S1920 WeakPolarHBondContact O-CB 3.25Å; D1916-S1920 PolarHBondContact O-N 3.29Å; N1917-S1920 PolarHBondContact O-N 3.07Å; S1920-R1923 PolarHBondContact O-N 3.16Å; S1920-N1924 WeakPolarHBondContact O-CB 3.23Å; S1920-N1924 VanDerWaalsContact O-CG 3.25Å; S1920-N1924 PolarHBondContact O-N 2.97Å; S1920-N1924 PolarHBondContact O-ND2 2.89Å |
| 1921 | A | 84.9 | Confident | 82.6 | Confident | 8 Ų | 8 | 61.3 Ų | 61.3 | 7% | 0.066 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -63.2 | -44 | 178 | 0 | 0 | 0 | 0 | 0 | 112 | M1842 L1845 N1917 L1918 N1924 Y1925 | M1842-A1921 HydrophobicContact CE-CB 3.81Å; M1842-A1921 HydrophobicContact SD-CB 3.83Å; L1845-A1921 HydrophobicContact CD1-CB 4.25Å; N1917-A1921 WeakPolarHBondContact O-CB 3.43Å; N1917-A1921 PolarHBondContact O-N 3.08Å; L1918-A1921 PolarHBondContact O-N 3.38Å; A1921-N1924 PolarHBondContact O-N 3.09Å; A1921-Y1925 WeakPolarHBondContact O-CB 3.4Å; A1921-Y1925 PolarHBondContact O-N 2.85Å |
| 1922 | L | 84.1 | Confident | 81.7 | Confident | 11 Ų | 11 | 62.7 Ų | 62.7 | 6% | 0.058 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.4 | -43.6 | 175 | -78.3 | 170 | 0 | 0 | 0 | 111.9 | L1845 F1894 L1918 E1919 N1924 Y1925 F1926 | L1845-L1922 HydrophobicContact CD1-CD2 3.97Å; L1845-L1922 HydrophobicContact CD1-CG 4.07Å; L1845-L1922 HydrophobicContact CD2-CD2 3.92Å; F1894-L1922 HydrophobicContact CB-CD1 4.23Å; F1894-L1922 HydrophobicContact CB-CD2 4.08Å; F1894-L1922 HydrophobicContact CD2-CD2 3.87Å; F1894-L1922 HydrophobicContact CG-CD2 4.42Å; L1918-L1922 HydrophobicContact CG-CD1 4.13Å; L1918-L1922 WeakPolarHBondContact O-CB 3.46Å; L1918-L1922 WeakPolarHBondContact O-CG 3.39Å; L1918-L1922 PolarHBondContact O-N 3.45Å; E1919-L1922 PolarHBondContact O-N 3.14Å; L1922-N1924 VanDerWaalsContact C-N 3.35Å; L1922-N1924 PolarHBondContact O-N 3.41Å; L1922-Y1925 PolarHBondContact O-N 3.48Å; L1922-F1926 HydrophobicContact CB-CD2 4.43Å; L1922-F1926 HydrophobicContact CB-CE2 4.36Å; L1922-F1926 HydrophobicContact CD2-CE2 4.28Å; L1922-F1926 WeakPolarHBondContact O-CD2 3.45Å; L1922-F1926 PolarHBondContact O-N 3.14Å |
| 1923 | R | 85.1 | Confident | 80.4 | Confident | 156 Ų | 156 | 60.5 Ų | 60.5 | 59% | 0.589 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -59 | -46.5 | 175.2 | -76.8 | 173.2 | -179.3 | -95.9 | 2.9 | 111.2 | E1919 S1920 Y1925 F1926 V1927 | E1919-R1923 WeakPolarHBondContact O-CB 3.44Å; E1919-R1923 VanDerWaalsContact O-CG 3.31Å; E1919-R1923 WeakPolarHBondContact O-CG 3.47Å; E1919-R1923 PolarHBondContact O-N 3.37Å; E1919-R1923 IonicContact OE1-CZ 2.72Å; E1919-R1923 VanDerWaalsContact OE1-CZ 3.31Å; E1919-R1923 IonicContact OE1-NE 3.52Å; E1919-R1923 PolarHBondContact OE1-NE 3.29Å; E1919-R1923 IonicContact OE1-NH2 2.7Å; E1919-R1923 PolarHBondContact OE1-NH2 2.74Å; S1920-R1923 PolarHBondContact O-N 3.16Å; R1923-Y1925 PolarHBondContact O-N 3.38Å; R1923-F1926 PolarHBondContact O-N 3.04Å; R1923-V1927 VanDerWaalsContact O-CG2 3.27Å; R1923-V1927 WeakPolarHBondContact O-CG2 3.31Å; R1923-V1927 PolarHBondContact O-N 3.22Å |
| 1924 | N | 81.6 | Confident | 79.4 | Confident | 91 Ų | 91 | 65.8 Ų | 65.8 | 49% | 0.487 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61.6 | -44.1 | 177.5 | -72 | -20.7 | 0 | 0 | 0 | 111.8 | M1849 S1920 A1921 L1922 V1927 K1928 | M1849-N1924 HydrophobicContact SD-CB 3.93Å; S1920-N1924 WeakPolarHBondContact O-CB 3.23Å; S1920-N1924 VanDerWaalsContact O-CG 3.25Å; S1920-N1924 PolarHBondContact O-N 2.97Å; S1920-N1924 PolarHBondContact O-ND2 2.89Å; A1921-N1924 PolarHBondContact O-N 3.09Å; L1922-N1924 VanDerWaalsContact C-N 3.35Å; L1922-N1924 PolarHBondContact O-N 3.41Å; N1924-V1927 PolarHBondContact O-N 3.26Å; N1924-K1928 WeakPolarHBondContact O-CB 3.44Å; N1924-K1928 PolarHBondContact O-N 3.39Å |
| 1925 | Y | 80.4 | Confident | 77.9 | Confident | 6 Ų | 6 | 66.2 Ų | 66.2 | 2% | 0.024 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -60.4 | -49.4 | 175.2 | 170.5 | -99.5 | 0 | 0 | 0 | 112 | L1845 A1848 M1849 M1887 L1889 H1891 A1921 L1922 R1923 V1927 K1928 L1929 | L1845-Y1925 HydrophobicContact CD2-CD1 4.26Å; L1845-Y1925 HydrophobicContact CD2-CD2 4.39Å; L1845-Y1925 HydrophobicContact CD2-CG 3.93Å; A1848-Y1925 HydrophobicContact CB-CD2 4.25Å; A1848-Y1925 HydrophobicContact CB-CE2 4.04Å; M1849-Y1925 HydrophobicContact CG-CD2 4.33Å; M1887-Y1925 HydrophobicContact CE-CE2 3.7Å; L1889-Y1925 HydrophobicContact CD1-CD1 4.46Å; L1889-Y1925 HydrophobicContact CD1-CD2 3.93Å; L1889-Y1925 HydrophobicContact CD1-CE1 3.95Å; L1889-Y1925 HydrophobicContact CD1-CE2 3.36Å; L1889-Y1925 HydrophobicContact CD1-CG 4.43Å; L1889-Y1925 WeakPolarHBondContact CD1-OH 3.28Å; H1891-Y1925 AromaticContact NE2-CE1 3.26Å; H1891-Y1925 VanDerWaalsContact NE2-CE1 3.26Å; H1891-Y1925 WeakPolarHBondContact NE2-CE1 3.42Å; H1891-Y1925 AromaticContact NE2-CZ 3.88Å; A1921-Y1925 WeakPolarHBondContact O-CB 3.4Å; A1921-Y1925 PolarHBondContact O-N 2.85Å; L1922-Y1925 PolarHBondContact O-N 3.48Å; R1923-Y1925 PolarHBondContact O-N 3.38Å; Y1925-V1927 VanDerWaalsContact C-N 3.34Å; Y1925-V1927 PolarHBondContact O-N 2.99Å; Y1925-K1928 PolarHBondContact O-N 2.85Å; Y1925-K1928 VanDerWaalsContact O-N 3.14Å; Y1925-L1929 HydrophobicContact CE1-CD1 3.88Å; Y1925-L1929 HydrophobicContact CE2-CD1 4.14Å; Y1925-L1929 VanDerWaalsContact CZ-CD1 3.43Å; Y1925-L1929 WeakPolarHBondContact O-CB 3.34Å; Y1925-L1929 PolarHBondContact O-N 3.31Å; Y1925-L1929 WeakPolarHBondContact OH-CD1 3.45Å |
| 1926 | F | 80.4 | Confident | 76.1 | Confident | 91 Ų | 91 | 69.6 Ų | 69.6 | 40% | 0.399 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -63.6 | -36.6 | 178.5 | -77.3 | -60.3 | 0 | 0 | 0 | 112.7 | H1891 L1922 R1923 Q1930 | H1891-F1926 AromaticContact CE1-CE1 3.72Å; H1891-F1926 AromaticContact ND1-CE1 3.85Å; H1891-F1926 AromaticContact ND1-CZ 3.95Å; L1922-F1926 HydrophobicContact CB-CD2 4.43Å; L1922-F1926 HydrophobicContact CB-CE2 4.36Å; L1922-F1926 HydrophobicContact CD2-CE2 4.28Å; L1922-F1926 WeakPolarHBondContact O-CD2 3.45Å; L1922-F1926 PolarHBondContact O-N 3.14Å; R1923-F1926 PolarHBondContact O-N 3.04Å; F1926-Q1930 VanDerWaalsContact O-CB 3.22Å; F1926-Q1930 WeakPolarHBondContact O-CB 3.42Å; F1926-Q1930 PolarHBondContact O-N 3.18Å |
| 1927 | V | 80.5 | Confident | 74.4 | Confident | 93 Ų | 93 | 72.1 Ų | 72.1 | 56% | 0.564 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -62.8 | -43.3 | 172.8 | 169 | 0 | 0 | 0 | 0 | 110.8 | R1923 N1924 Y1925 Q1930 S1931 | R1923-V1927 VanDerWaalsContact O-CG2 3.27Å; R1923-V1927 WeakPolarHBondContact O-CG2 3.31Å; R1923-V1927 PolarHBondContact O-N 3.22Å; N1924-V1927 PolarHBondContact O-N 3.26Å; Y1925-V1927 VanDerWaalsContact C-N 3.34Å; Y1925-V1927 PolarHBondContact O-N 2.99Å; V1927-Q1930 PolarHBondContact O-N 2.8Å; V1927-S1931 WeakPolarHBondContact O-CB 3.35Å; V1927-S1931 PolarHBondContact O-N 3.14Å |
| 1928 | K | 71.4 | Confident | 72.7 | Confident | 91 Ų | 91 | 74.1 Ų | 74.1 | 40% | 0.396 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -68.1 | -43.1 | 178.5 | -162.4 | 158.7 | -175 | 177 | 0 | 111.6 | M1849 N1924 Y1925 Q1930 S1931 I1932 | M1849-K1928 PolarHBondContact O-NZ 3.06Å; N1924-K1928 WeakPolarHBondContact O-CB 3.44Å; N1924-K1928 PolarHBondContact O-N 3.39Å; Y1925-K1928 PolarHBondContact O-N 2.85Å; Y1925-K1928 VanDerWaalsContact O-N 3.14Å; K1928-Q1930 PolarHBondContact O-N 2.87Å; K1928-S1931 WeakPolarHBondContact O-CB 3.4Å; K1928-S1931 PolarHBondContact O-N 3.43Å; K1928-S1931 VanDerWaalsContact O-N 3.16Å; K1928-I1932 HydrophobicContact CG-CD1 4.13Å; K1928-I1932 WeakPolarHBondContact O-CD1 3.31Å; K1928-I1932 VanDerWaalsContact O-CG1 3.26Å; K1928-I1932 WeakPolarHBondContact O-CG1 3.27Å; K1928-I1932 PolarHBondContact O-N 3.01Å |
| 1929 | L | 69.9 | Low | 70.1 | Confident | 53 Ų | 53 | 84.5 Ų | 84.5 | 28% | 0.277 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -63.1 | -40.8 | 174.8 | -165.4 | 135.3 | 0 | 0 | 0 | 111.3 | Y1925 S1931 I1932 C1933 | Y1925-L1929 HydrophobicContact CE1-CD1 3.88Å; Y1925-L1929 HydrophobicContact CE2-CD1 4.14Å; Y1925-L1929 VanDerWaalsContact CZ-CD1 3.43Å; Y1925-L1929 WeakPolarHBondContact O-CB 3.34Å; Y1925-L1929 PolarHBondContact O-N 3.31Å; Y1925-L1929 WeakPolarHBondContact OH-CD1 3.45Å; L1929-S1931 VanDerWaalsContact C-N 3.34Å; L1929-S1931 PolarHBondContact O-N 3.39Å; L1929-I1932 PolarHBondContact O-N 3.49Å; L1929-C1933 WeakPolarHBondContact O-CB 3.24Å; L1929-C1933 PolarHBondContact O-N 3.29Å; L1929-C1933 PolarHBondContact O-SG 3.36Å |
| 1930 | Q | 72.4 | Confident | 69.1 | Low | 103 Ų | 103 | 85.8 Ų | 85.8 | 48% | 0.481 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -62.9 | -39.4 | 172.7 | -170.9 | 178.9 | 23.6 | 0 | 0 | 112 | F1926 V1927 K1928 R1934 | F1926-Q1930 VanDerWaalsContact O-CB 3.22Å; F1926-Q1930 WeakPolarHBondContact O-CB 3.42Å; F1926-Q1930 PolarHBondContact O-N 3.18Å; V1927-Q1930 PolarHBondContact O-N 2.8Å; K1928-Q1930 PolarHBondContact O-N 2.87Å; Q1930-R1934 VanDerWaalsContact O-CB 3.31Å; Q1930-R1934 WeakPolarHBondContact O-CB 3.17Å; Q1930-R1934 VanDerWaalsContact O-CG 3.32Å; Q1930-R1934 WeakPolarHBondContact O-CG 3Å; Q1930-R1934 PolarHBondContact O-N 2.9Å |
| 1931 | S | 68.3 | Low | 68.2 | Low | 80 Ų | 80 | 87.2 Ų | 87.2 | 56% | 0.559 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -64 | -41.3 | 174.2 | -174.1 | 0 | 0 | 0 | 0 | 112.1 | V1927 K1928 L1929 G1935 | V1927-S1931 WeakPolarHBondContact O-CB 3.35Å; V1927-S1931 PolarHBondContact O-N 3.14Å; K1928-S1931 WeakPolarHBondContact O-CB 3.4Å; K1928-S1931 PolarHBondContact O-N 3.43Å; K1928-S1931 VanDerWaalsContact O-N 3.16Å; L1929-S1931 VanDerWaalsContact C-N 3.34Å; L1929-S1931 PolarHBondContact O-N 3.39Å; S1931-G1935 PolarHBondContact O-N 2.96Å |
| 1932 | I | 63.5 | Low | 67.2 | Low | 50 Ų | 50 | 91.6 Ų | 91.6 | 26% | 0.256 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -69.1 | -47 | 178.1 | -67 | 156.5 | 0 | 0 | 0 | 110.5 | L1864 K1928 L1929 R1934 G1935 L1936 | L1864-I1932 HydrophobicContact CD1-CD1 3.43Å; L1864-I1932 VanDerWaalsContact CD1-CD1 3.43Å; L1864-I1932 HydrophobicContact CD1-CG1 3.87Å; L1864-I1932 HydrophobicContact CD1-CG2 4.3Å; K1928-I1932 HydrophobicContact CG-CD1 4.13Å; K1928-I1932 WeakPolarHBondContact O-CD1 3.31Å; K1928-I1932 VanDerWaalsContact O-CG1 3.26Å; K1928-I1932 WeakPolarHBondContact O-CG1 3.27Å; K1928-I1932 PolarHBondContact O-N 3.01Å; L1929-I1932 PolarHBondContact O-N 3.49Å; I1932-R1934 VanDerWaalsContact C-N 3.32Å; I1932-R1934 PolarHBondContact O-N 3.35Å; I1932-G1935 CarbonylContact O-C 3.58Å; I1932-G1935 WeakPolarHBondContact O-CA 3.12Å; I1932-G1935 PolarHBondContact O-N 2.71Å; I1932-G1935 VanDerWaalsContact O-N 3.07Å; I1932-L1936 HydrophobicContact CG2-CD1 4.06Å; I1932-L1936 PolarHBondContact O-N 3.29Å |
| 1933 | C | 59.7 | Low | 66.2 | Low | 53 Ų | 53 | 96.3 Ų | 96.3 | 36% | 0.358 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.4 | -38.7 | 175 | -69.8 | 0 | 0 | 0 | 0 | 111.7 | L1929 L1936 I1937 | L1929-C1933 WeakPolarHBondContact O-CB 3.24Å; L1929-C1933 PolarHBondContact O-N 3.29Å; L1929-C1933 PolarHBondContact O-SG 3.36Å; C1933-L1936 PolarHBondContact O-N 2.97Å; C1933-I1937 WeakPolarHBondContact O-CB 2.96Å; C1933-I1937 WeakPolarHBondContact O-CD1 3.4Å; C1933-I1937 WeakPolarHBondContact O-CG1 3.39Å; C1933-I1937 PolarHBondContact O-N 3.45Å |
| 1934 | R | 65.1 | Low | 65.1 | Low | 161 Ų | 161 | 92.6 Ų | 92.6 | 61% | 0.608 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -62.4 | -41.5 | 170.8 | -81.2 | -179.5 | 176.9 | 175.5 | 1.2 | 111.7 | Q1930 I1932 L1936 I1937 V1938 | Q1930-R1934 VanDerWaalsContact O-CB 3.31Å; Q1930-R1934 WeakPolarHBondContact O-CB 3.17Å; Q1930-R1934 VanDerWaalsContact O-CG 3.32Å; Q1930-R1934 WeakPolarHBondContact O-CG 3Å; Q1930-R1934 PolarHBondContact O-N 2.9Å; I1932-R1934 VanDerWaalsContact C-N 3.32Å; I1932-R1934 PolarHBondContact O-N 3.35Å; R1934-L1936 VanDerWaalsContact C-N 3.35Å; R1934-I1937 PolarHBondContact O-N 3.36Å; R1934-V1938 VanDerWaalsContact O-CB 3.32Å; R1934-V1938 WeakPolarHBondContact O-CB 3.39Å; R1934-V1938 WeakPolarHBondContact O-CG2 3.45Å; R1934-V1938 PolarHBondContact O-N 3.21Å |
| 1935 | G | 57.5 | Low | 64 | Low | 36 Ų | 36 | 92.7 Ų | 92.7 | 37% | 0.371 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.4 | -37.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | S1931 I1932 H1939 | S1931-G1935 PolarHBondContact O-N 2.96Å; I1932-G1935 CarbonylContact O-C 3.58Å; I1932-G1935 WeakPolarHBondContact O-CA 3.12Å; I1932-G1935 PolarHBondContact O-N 2.71Å; I1932-G1935 VanDerWaalsContact O-N 3.07Å; G1935-H1939 WeakPolarHBondContact O-CB 3.44Å; G1935-H1939 PolarHBondContact O-N 3.3Å; G1935-H1939 VanDerWaalsContact O-N 3.16Å |
| 1936 | L | 51.4 | Low | 62.8 | Low | 89 Ų | 89 | 98.9 Ų | 98.9 | 47% | 0.466 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -74.3 | -30.4 | 175.4 | -91.7 | 156.5 | 0 | 0 | 0 | 113.8 | I1932 C1933 R1934 | I1932-L1936 HydrophobicContact CG2-CD1 4.06Å; I1932-L1936 PolarHBondContact O-N 3.29Å; C1933-L1936 PolarHBondContact O-N 2.97Å; R1934-L1936 VanDerWaalsContact C-N 3.35Å |
| 1937 | I | 51 | Low | 61.4 | Low | 137 Ų | 137 | 99.5 Ų | 99.5 | 70% | 0.703 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -80.7 | -29.1 | 175.5 | -68.4 | 164.3 | 0 | 0 | 0 | 111.2 | C1933 R1934 H1939 | C1933-I1937 WeakPolarHBondContact O-CB 2.96Å; C1933-I1937 WeakPolarHBondContact O-CD1 3.4Å; C1933-I1937 WeakPolarHBondContact O-CG1 3.39Å; C1933-I1937 PolarHBondContact O-N 3.45Å; R1934-I1937 PolarHBondContact O-N 3.36Å; I1937-H1939 VanDerWaalsContact C-N 3.32Å |
| 1938 | V | 53.3 | Low | 59.8 | Low | 129 Ų | 129 | 100 Ų | 100 | 78% | 0.782 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -78.6 | -18.6 | 174.1 | 173.1 | 0 | 0 | 0 | 0 | 111.7 | R1934 | R1934-V1938 VanDerWaalsContact O-CB 3.32Å; R1934-V1938 WeakPolarHBondContact O-CB 3.39Å; R1934-V1938 WeakPolarHBondContact O-CG2 3.45Å; R1934-V1938 PolarHBondContact O-N 3.21Å |
| 1939 | H | 34.7 | Very low | 58.8 | Low | 218 Ų | 218 | 100.8 Ų | 100.8 | 100% | 1.009 | 53% | 0.534 | S | S | * | . | trans | -89.3 | 0 | 168.8 | -99 | -55.3 | 0 | 0 | 0 | 111.9 | G1935 I1937 | G1935-H1939 WeakPolarHBondContact O-CB 3.44Å; G1935-H1939 PolarHBondContact O-N 3.3Å; G1935-H1939 VanDerWaalsContact O-N 3.16Å; I1937-H1939 VanDerWaalsContact C-N 3.32Å |
Retrieved 1,939 of 1,939 residues in 491.1 ms
(Link to these results)