| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 34 | Very low | 71.9 | Confident | 233 Ų | 233 | 66.7 Ų | 66.7 | 100% | 1.148 | 44% | 0.44 | S | S | * | . | 0 | 140 | 0 | -59.7 | 174.9 | -174.1 | 0 | 0 | 107.5 | G3 | M1-G3 PolarHBondContact O-N 3.4Š| |||
| 2 | S | 42.4 | Very low | 74 | Confident | 95 Ų | 95 | 62.3 Ų | 62.3 | 66% | 0.664 | 41% | 0.408 | S | S | * | . | P | Polyproline II helix | trans | -68.4 | 125.1 | 166 | 42.6 | 0 | 0 | 0 | 0 | 108.3 | G4 | S2-G4 PolarHBondContact O-N 2.81Š|
| 3 | G | 46.4 | Very low | 75.8 | Confident | 78 Ų | 78 | 57.5 Ų | 57.5 | 80% | 0.804 | 38% | 0.377 | S | S | * | . | P | Polyproline II helix | trans | -58.7 | 125.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | M1 A5 | M1-G3 PolarHBondContact O-N 3.4Å; G3-A5 PolarHBondContact O-N 3.36Å |
| 4 | G | 54.1 | Low | 77.3 | Confident | 25 Ų | 25 | 54.6 Ų | 54.6 | 26% | 0.258 | 36% | 0.355 | S | S | . | . | P | Polyproline II helix | trans | -62 | 135.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111 | S2 S6 V332 | S2-G4 PolarHBondContact O-N 2.81Å; G4-S6 PolarHBondContact O-N 3.11Å; G4-V332 CarbonylContact C-O 3.59Å; G4-V332 WeakPolarHBondContact CA-O 3.46Å |
| 5 | A | 71.6 | Confident | 78.7 | Confident | 58 Ų | 58 | 51.1 Ų | 51.1 | 48% | 0.479 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 130.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | G3 E7 V332 | G3-A5 PolarHBondContact O-N 3.36Å; A5-E7 PolarHBondContact O-N 2.74Å; A5-V332 PolarHBondContact N-O 2.71Å; A5-V332 VanDerWaalsContact N-O 3.1Å; A5-V332 PolarHBondContact O-N 2.98Å |
| 6 | S | 79.4 | Confident | 79.6 | Confident | 81 Ų | 81 | 50.2 Ų | 50.2 | 57% | 0.566 | 32% | 0.319 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 105.1 | 172.3 | -170.2 | 0 | 0 | 0 | 0 | 109 | G4 N330 | G4-S6 PolarHBondContact O-N 3.11Å; S6-N330 WeakPolarHBondContact CA-O 3.02Å |
| 7 | E | 86 | Confident | 80.4 | Confident | 40 Ų | 40 | 51.6 Ų | 51.6 | 19% | 0.187 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 135.4 | 179.4 | -169.7 | 170.3 | -175.6 | 0 | 0 | 109.6 | A5 K10 R298 K329 N330 V332 | A5-E7 PolarHBondContact O-N 2.74Å; E7-K10 WeakPolarHBondContact OE1-CE 3.4Å; E7-K10 IonicContact OE1-NZ 2.9Å; E7-K10 PolarHBondContact OE1-NZ 3.27Å; E7-R298 IonicContact OE1-NH1 2.67Å; E7-R298 IonicContact OE2-CZ 2.63Å; E7-R298 IonicContact OE2-NE 2.88Å; E7-R298 IonicContact OE2-NH1 3.33Å; E7-R298 PolarHBondContact OE2-NH1 2.87Å; E7-R298 IonicContact OE2-NH2 3.68Å; E7-K329 WeakPolarHBondContact O-CA 3.44Å; E7-N330 PolarHBondContact N-O 3.34Å; E7-N330 VanDerWaalsContact N-O 3.07Å; E7-N330 PolarHBondContact O-N 3.23Å; E7-V332 HydrophobicContact CB-CG2 4.22Å |
| 8 | A | 89.8 | Confident | 81 | Confident | 49 Ų | 49 | 50.9 Ų | 50.9 | 41% | 0.405 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 146.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | K10 I328 | A8-K10 PolarHBondContact O-N 3.34Å; A8-I328 WeakPolarHBondContact CA-O 3.42Å |
| 9 | I | 94.5 | Very high | 81.3 | Confident | 2 Ų | 2 | 51.2 Ų | 51.2 | 1% | 0.01 | 32% | 0.321 | C | S | . | . | P | Polyproline II helix | trans | -62.9 | 123.2 | 173.9 | -64 | -171.1 | 0 | 0 | 0 | 109.3 | V11 L293 T299 I301 I328 | I9-V11 HydrophobicContact CG2-CG2 4.24Å; I9-L293 HydrophobicContact CD1-CD2 3.74Å; I9-T299 HydrophobicContact CD1-CG2 4.16Å; I9-T299 HydrophobicContact CG1-CG2 4.38Å; I9-T299 HydrophobicContact CG2-CG2 3.97Å; I9-I301 HydrophobicContact CG2-CD1 3.72Å; I9-I301 HydrophobicContact CG2-CG1 4Å; I9-I328 HydrophobicContact CD1-CB 3.81Å; I9-I328 HydrophobicContact CD1-CD1 4.38Å; I9-I328 HydrophobicContact CD1-CG2 3.73Å; I9-I328 HydrophobicContact CG1-CB 4.14Å; I9-I328 HydrophobicContact CG1-CG2 4.22Å; I9-I328 PolarHBondContact N-O 3.1Å |
| 10 | K | 95.6 | Very high | 81.6 | Confident | 73 Ų | 73 | 55.2 Ų | 55.2 | 32% | 0.317 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 129.7 | 177.6 | -64.8 | 175.9 | -173.6 | 155.2 | 0 | 109.4 | E7 A8 F12 T299 T300 I301 | E7-K10 WeakPolarHBondContact OE1-CE 3.4Å; E7-K10 IonicContact OE1-NZ 2.9Å; E7-K10 PolarHBondContact OE1-NZ 3.27Å; A8-K10 PolarHBondContact O-N 3.34Å; K10-F12 HydrophobicContact CB-CE2 3.78Å; K10-T299 PolarHBondContact N-O 3.02Å; K10-T300 CarbonylContact O-C 3.58Å; K10-T300 WeakPolarHBondContact O-CA 3.22Å; K10-I301 PolarHBondContact O-N 2.77Å |
| 11 | V | 97 | Very high | 81.7 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 119.9 | -178.8 | -175.2 | 0 | 0 | 0 | 0 | 109.9 | I9 F50 D51 I301 I303 A325 K326 | I9-V11 HydrophobicContact CG2-CG2 4.24Å; V11-F50 HydrophobicContact CB-CD1 4.17Å; V11-F50 HydrophobicContact CG1-CD1 3.61Å; V11-F50 HydrophobicContact CG1-CE1 4Å; V11-F50 WeakPolarHBondContact O-CB 3.45Å; V11-D51 PolarHBondContact N-OD2 3.3Å; V11-D51 PolarHBondContact O-N 2.92Å; V11-I301 CarbonylContact C-O 3.58Å; V11-I301 WeakPolarHBondContact CA-O 3.22Å; V11-I301 HydrophobicContact CG2-CB 4.4Å; V11-I303 HydrophobicContact CG1-CD1 4.48Å; V11-I303 HydrophobicContact CG1-CG2 4.34Å; V11-A325 HydrophobicContact CG2-CB 4.35Å; V11-K326 HydrophobicContact CB-CB 4.21Å; V11-K326 HydrophobicContact CG2-CB 3.71Å; V11-K326 HydrophobicContact CG2-CG 4.42Å |
| 12 | F | 97.4 | Very high | 84.4 | Confident | 13 Ų | 13 | 46.2 Ų | 46.2 | 6% | 0.057 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 133.9 | 177.4 | -63.3 | -97.7 | 0 | 0 | 0 | 109.2 | K10 K52 F54 A66 A67 T300 I301 V302 I303 | K10-F12 HydrophobicContact CB-CE2 3.78Å; F12-K52 WeakPolarHBondContact CA-O 3Å; F12-K52 HydrophobicContact CD1-CB 3.8Å; F12-K52 HydrophobicContact CE1-CB 4.05Å; F12-F54 HydrophobicContact CB-CD2 4.37Å; F12-F54 HydrophobicContact CB-CE2 3.67Å; F12-F54 HydrophobicContact CB-CZ 4.41Å; F12-F54 AromaticContact CD1-CE2 3.74Å; F12-F54 HydrophobicContact CD1-CE2 3.74Å; F12-F54 AromaticContact CD1-CZ 3.6Å; F12-F54 HydrophobicContact CD1-CZ 3.6Å; F12-F54 HydrophobicContact CE1-CZ 4.32Å; F12-F54 HydrophobicContact CG-CE2 4.04Å; F12-F54 HydrophobicContact CG-CZ 4.32Å; F12-A66 HydrophobicContact CE1-CB 4.13Å; F12-A66 WeakPolarHBondContact CE1-O 3.24Å; F12-A66 WeakPolarHBondContact CZ-O 3.29Å; F12-A67 HydrophobicContact CD1-CB 4.22Å; F12-A67 HydrophobicContact CD2-CB 3.91Å; F12-A67 HydrophobicContact CE1-CB 4.41Å; F12-A67 HydrophobicContact CE2-CB 4.08Å; F12-A67 HydrophobicContact CG-CB 3.99Å; F12-A67 HydrophobicContact CZ-CB 4.34Å; F12-T300 HydrophobicContact CD2-CG2 3.57Å; F12-T300 HydrophobicContact CE2-CG2 3.73Å; F12-I301 PolarHBondContact N-O 3.05Å; F12-V302 HydrophobicContact CB-CG1 4.5Å; F12-V302 HydrophobicContact CB-CG2 4.47Å; F12-V302 CarbonylContact O-C 3.52Å; F12-V302 WeakPolarHBondContact O-CA 3.48Å; F12-I303 WeakPolarHBondContact O-CG1 3.39Å; F12-I303 PolarHBondContact O-N 2.69Å |
| 13 | C | 97.6 | Very high | 86.5 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 133.4 | 174.3 | -175 | 0 | 0 | 0 | 0 | 109.9 | F15 F50 K52 V53 F54 I303 | C13-F15 WeakPolarHBondContact SG-CE2 3.07Å; C13-F50 HydrophobicContact CB-CD2 3.72Å; C13-F50 HydrophobicContact CB-CE2 4.09Å; C13-F50 HydrophobicContact CB-CG 4.08Å; C13-K52 PolarHBondContact N-O 2.69Å; C13-V53 HydrophobicContact CB-CB 4.49Å; C13-V53 HydrophobicContact CB-CG1 4.21Å; C13-V53 HydrophobicContact CB-CG2 4.14Å; C13-V53 CarbonylContact O-C 3.49Å; C13-V53 WeakPolarHBondContact O-CA 3.43Å; C13-F54 PolarHBondContact O-N 2.92Å; C13-I303 CarbonylContact C-O 3.2Å; C13-I303 HydrophobicContact CB-CD1 4.09Å; C13-I303 HydrophobicContact CB-CG1 3.82Å |
| 14 | R | 97.2 | Very high | 88.4 | Confident | 18 Ų | 18 | 51.4 Ų | 51.4 | 7% | 0.068 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 125 | 174.7 | -169.9 | 176.3 | -166.1 | 178.8 | 11.2 | 110.7 | F54 Q60 T96 V302 I303 C305 | R14-F54 HydrophobicContact CB-CB 4.29Å; R14-F54 HydrophobicContact CB-CD2 4.17Å; R14-F54 HydrophobicContact CG-CB 4.05Å; R14-F54 HydrophobicContact CG-CD2 4.49Å; R14-Q60 VanDerWaalsContact CZ-OE1 3.24Å; R14-T96 WeakPolarHBondContact CD-OG1 3.43Å; R14-T96 PolarHBondContact NH1-OG1 3.09Å; R14-V302 HydrophobicContact CB-CG1 4.34Å; R14-I303 PolarHBondContact N-O 3.25Å; R14-C305 PolarHBondContact O-N 3.49Å |
| 15 | F | 97 | Very high | 89.9 | Confident | 1 Ų | 1 | 53.8 Ų | 53.8 | 0% | 0.004 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 130.9 | 165.8 | -72.5 | -92 | 0 | 0 | 0 | 109.3 | C13 P31 F33 V41 V43 V53 F54 P56 C305 T315 L319 | C13-F15 WeakPolarHBondContact SG-CE2 3.07Å; F15-P31 HydrophobicContact CD1-CB 3.96Å; F15-P31 HydrophobicContact CD1-CG 3.74Å; F15-P31 HydrophobicContact CE1-CB 3.65Å; F15-P31 HydrophobicContact CE1-CG 3.89Å; F15-P31 HydrophobicContact CE2-CB 4.37Å; F15-P31 HydrophobicContact CG-CB 4.43Å; F15-P31 HydrophobicContact CG-CG 4.27Å; F15-P31 HydrophobicContact CZ-CB 3.88Å; F15-F33 HydrophobicContact CB-CZ 4.36Å; F15-F33 AromaticContact CD2-CE1 3.89Å; F15-F33 HydrophobicContact CD2-CE1 3.89Å; F15-F33 AromaticContact CD2-CZ 3.81Å; F15-F33 HydrophobicContact CD2-CZ 3.81Å; F15-F33 HydrophobicContact CE2-CE1 4.25Å; F15-F33 HydrophobicContact CE2-CZ 4.34Å; F15-F33 HydrophobicContact CG-CZ 4.09Å; F15-V41 HydrophobicContact CE2-CB 4.3Å; F15-V41 HydrophobicContact CE2-CG1 4.14Å; F15-V41 HydrophobicContact CE2-CG2 3.75Å; F15-V41 HydrophobicContact CZ-CG1 4.45Å; F15-V41 HydrophobicContact CZ-CG2 3.97Å; F15-V43 HydrophobicContact CZ-CG2 4.19Å; F15-V53 HydrophobicContact CD2-CG1 4.25Å; F15-V53 HydrophobicContact CE2-CG1 4.27Å; F15-F54 PolarHBondContact N-O 3.36Å; F15-P56 HydrophobicContact CB-CG 4.21Å; F15-P56 VanDerWaalsContact O-CA 3.29Å; F15-P56 WeakPolarHBondContact O-CA 3.41Å; F15-C305 HydrophobicContact CD1-CB 3.66Å; F15-C305 HydrophobicContact CE1-CB 3.4Å; F15-C305 VanDerWaalsContact CE1-CB 3.4Å; F15-C305 HydrophobicContact CE2-CB 4.28Å; F15-C305 HydrophobicContact CG-CB 4.22Å; F15-C305 HydrophobicContact CZ-CB 3.74Å; F15-T315 HydrophobicContact CE1-CG2 3.92Å; F15-T315 HydrophobicContact CZ-CG2 4.26Å; F15-L319 HydrophobicContact CZ-CD2 4.4Å |
| 16 | R | 94.6 | Very high | 90.5 | Very high | 37 Ų | 37 | 53.8 Ų | 53.8 | 14% | 0.14 | 31% | 0.306 | C | S | . | . | P | Polyproline II helix | trans | -83.9 | 167.2 | 167 | 62.5 | 153.4 | 174.6 | 77.9 | -1.6 | 111.3 | N19 E22 S90 P307 | R16-N19 PolarHBondContact NH2-ND2 3.48Å; R16-E22 IonicContact CZ-OE1 2.89Å; R16-E22 IonicContact CZ-OE2 3.83Å; R16-E22 IonicContact NH1-OE1 2.71Å; R16-E22 IonicContact NH1-OE2 3.86Å; R16-E22 PolarHBondContact NH1-OE2 2.92Å; R16-E22 VanDerWaalsContact NH2-CD 3.32Å; R16-E22 IonicContact NH2-OE1 3.3Å; R16-E22 PolarHBondContact NH2-OE1 2.83Å; R16-E22 IonicContact NH2-OE2 3.17Å; R16-E22 PolarHBondContact NH2-OE2 2.78Å; R16-S90 VanDerWaalsContact CZ-O 3.27Å; R16-S90 PolarHBondContact NE-O 3.05Å; R16-S90 PolarHBondContact NH2-O 3.07Å; R16-P307 WeakPolarHBondContact O-CD 3.42Å; R16-P307 VanDerWaalsContact O-CG 3.26Å; R16-P307 WeakPolarHBondContact O-CG 3.24Å |
| 17 | P | 92.5 | Very high | 90.9 | Very high | 75 Ų | 75 | 50.9 Ų | 50.9 | 49% | 0.487 | 29% | 0.285 | S | S | . | . | P | Polyproline II helix | trans | -59.3 | 165.3 | 164.6 | -23 | 34.2 | 0 | 0 | 0 | 112.2 | P56 | P17-P56 HydrophobicContact CB-CB 4.46Å; P17-P56 HydrophobicContact CG-CB 3.99Å |
| 18 | L | 90.5 | Very high | 91.1 | Very high | 38 Ų | 38 | 56.8 Ų | 56.8 | 20% | 0.199 | 31% | 0.31 | C | S | . | . | P | Polyproline II helix | trans | -60.9 | 145.6 | 162.9 | -72.2 | 165.1 | 0 | 0 | 0 | 108.6 | E22 E23 Y29 P307 A308 | L18-E22 HydrophobicContact CD2-CB 3.97Å; L18-E23 HydrophobicContact CB-CG 3.76Å; L18-E23 HydrophobicContact CD1-CG 4.37Å; L18-Y29 HydrophobicContact CD1-CD2 4.37Å; L18-Y29 HydrophobicContact CG-CD2 4.31Å; L18-P307 HydrophobicContact CD2-CG 3.91Å; L18-P307 HydrophobicContact CG-CG 4.05Å; L18-A308 HydrophobicContact CD2-CB 3.78Å |
| 19 | N | 88.1 | Confident | 91.3 | Very high | 56 Ų | 56 | 59.5 Ų | 59.5 | 30% | 0.299 | 31% | 0.311 | S | S | . | . | P | Polyproline II helix | trans | -95.8 | 162.2 | 172.1 | 70 | 33.2 | 0 | 0 | 0 | 110.6 | R16 S21 E22 E23 | R16-N19 PolarHBondContact NH2-ND2 3.48Å; N19-S21 PolarHBondContact O-N 2.78Å; N19-S21 WeakPolarHBondContact OD1-CB 3.23Å; N19-S21 PolarHBondContact OD1-N 2.89Å; N19-E22 PolarHBondContact N-OE2 3.13Å; N19-E22 VanDerWaalsContact N-OE2 3.17Å; N19-E22 PolarHBondContact O-N 3.44Å; N19-E22 WeakPolarHBondContact OD1-CG 3.34Å; N19-E22 PolarHBondContact OD1-N 2.84Å; N19-E23 PolarHBondContact O-N 3.41Å |
| 20 | E | 86 | Confident | 91.2 | Very high | 132 Ų | 132 | 60.7 Ų | 60.7 | 62% | 0.617 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -53.4 | -33.2 | -177.6 | -68.2 | -172.2 | -153 | 0 | 0 | 113.9 | K24 | E20-K24 VanDerWaalsContact O-CB 3.22Å; E20-K24 WeakPolarHBondContact O-CB 3.42Å; E20-K24 VanDerWaalsContact O-CD 3.29Å; E20-K24 WeakPolarHBondContact O-CD 3.32Å; E20-K24 WeakPolarHBondContact O-CG 3.47Å; E20-K24 PolarHBondContact O-N 3.18Å; E20-K24 IonicContact OE2-NZ 2.75Å; E20-K24 PolarHBondContact OE2-NZ 3.44Å |
| 21 | S | 85.2 | Confident | 91.1 | Very high | 87 Ų | 87 | 57.4 Ų | 57.4 | 61% | 0.608 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -71.1 | -43.2 | 179.7 | -173 | 0 | 0 | 0 | 0 | 111.4 | N19 K24 S25 | N19-S21 PolarHBondContact O-N 2.78Å; N19-S21 WeakPolarHBondContact OD1-CB 3.23Å; N19-S21 PolarHBondContact OD1-N 2.89Å; S21-K24 PolarHBondContact O-N 3.28Å; S21-S25 VanDerWaalsContact O-CB 3.31Å; S21-S25 WeakPolarHBondContact O-CB 3.43Å; S21-S25 PolarHBondContact O-N 3.49Å; S21-S25 PolarHBondContact O-OG 3.38Å |
| 22 | E | 89.4 | Confident | 91 | Very high | 13 Ų | 13 | 64.8 Ų | 64.8 | 6% | 0.061 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -64.5 | -40.9 | 174.1 | -71.1 | 167.5 | 161.2 | 0 | 0 | 111.1 | R16 L18 N19 S25 G26 S27 S306 A308 N311 | R16-E22 IonicContact CZ-OE1 2.89Å; R16-E22 IonicContact CZ-OE2 3.83Å; R16-E22 IonicContact NH1-OE1 2.71Å; R16-E22 IonicContact NH1-OE2 3.86Å; R16-E22 PolarHBondContact NH1-OE2 2.92Å; R16-E22 VanDerWaalsContact NH2-CD 3.32Å; R16-E22 IonicContact NH2-OE1 3.3Å; R16-E22 PolarHBondContact NH2-OE1 2.83Å; R16-E22 IonicContact NH2-OE2 3.17Å; R16-E22 PolarHBondContact NH2-OE2 2.78Å; L18-E22 HydrophobicContact CD2-CB 3.97Å; N19-E22 PolarHBondContact N-OE2 3.13Å; N19-E22 VanDerWaalsContact N-OE2 3.17Å; N19-E22 PolarHBondContact O-N 3.44Å; N19-E22 WeakPolarHBondContact OD1-CG 3.34Å; N19-E22 PolarHBondContact OD1-N 2.84Å; E22-S25 WeakPolarHBondContact CA-OG 3.23Å; E22-S25 PolarHBondContact O-N 3.42Å; E22-S25 PolarHBondContact O-OG 2.93Å; E22-G26 PolarHBondContact O-N 2.86Å; E22-S27 WeakPolarHBondContact O-CB 3.22Å; E22-S27 PolarHBondContact O-N 3.33Å; E22-S306 PolarHBondContact OE1-OG 2.89Å; E22-A308 HydrophobicContact CB-CB 4.15Å; E22-A308 HydrophobicContact CG-CB 3.75Å; E22-A308 WeakPolarHBondContact OE1-CB 3.28Å; E22-N311 PolarHBondContact OE1-ND2 3.19Å |
| 23 | E | 87.2 | Confident | 90.7 | Very high | 121 Ų | 121 | 66.3 Ų | 66.3 | 57% | 0.565 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -64.1 | -49 | 174.5 | -66.3 | -175.7 | 155.9 | 0 | 0 | 111.9 | L18 N19 S25 G26 | L18-E23 HydrophobicContact CB-CG 3.76Å; L18-E23 HydrophobicContact CD1-CG 4.37Å; N19-E23 PolarHBondContact O-N 3.41Å; E23-S25 PolarHBondContact O-N 2.95Å; E23-G26 PolarHBondContact O-N 2.8Å |
| 24 | K | 85.1 | Confident | 90.2 | Very high | 160 Ų | 160 | 68.4 Ų | 68.4 | 70% | 0.696 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -60.3 | -30.7 | 174.9 | -72.9 | 163.6 | -168.6 | 164.6 | 0 | 112.4 | E20 S21 G26 | E20-K24 VanDerWaalsContact O-CB 3.22Å; E20-K24 WeakPolarHBondContact O-CB 3.42Å; E20-K24 VanDerWaalsContact O-CD 3.29Å; E20-K24 WeakPolarHBondContact O-CD 3.32Å; E20-K24 WeakPolarHBondContact O-CG 3.47Å; E20-K24 PolarHBondContact O-N 3.18Å; E20-K24 IonicContact OE2-NZ 2.75Å; E20-K24 PolarHBondContact OE2-NZ 3.44Å; S21-K24 PolarHBondContact O-N 3.28Å; K24-G26 VanDerWaalsContact C-N 3.26Å; K24-G26 PolarHBondContact O-N 3.04Å |
| 25 | S | 87 | Confident | 89.5 | Confident | 76 Ų | 76 | 73.8 Ų | 73.8 | 53% | 0.531 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -8.6 | 174.3 | 78.3 | 0 | 0 | 0 | 0 | 114.5 | S21 E22 E23 S27 | S21-S25 VanDerWaalsContact O-CB 3.31Å; S21-S25 WeakPolarHBondContact O-CB 3.43Å; S21-S25 PolarHBondContact O-N 3.49Å; S21-S25 PolarHBondContact O-OG 3.38Å; E22-S25 WeakPolarHBondContact CA-OG 3.23Å; E22-S25 PolarHBondContact O-N 3.42Å; E22-S25 PolarHBondContact O-OG 2.93Å; E23-S25 PolarHBondContact O-N 2.95Å; S25-S27 VanDerWaalsContact C-N 3.31Å; S25-S27 PolarHBondContact OG-N 2.83Å; S25-S27 PolarHBondContact OG-OG 3Å |
| 26 | G | 84.3 | Confident | 88.9 | Confident | 58 Ų | 58 | 77.6 Ų | 77.6 | 60% | 0.598 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.8 | 23.2 | -173 | 0 | 0 | 0 | 0 | 0 | 113.9 | E22 E23 K24 K28 | E22-G26 PolarHBondContact O-N 2.86Å; E23-G26 PolarHBondContact O-N 2.8Å; K24-G26 VanDerWaalsContact C-N 3.26Å; K24-G26 PolarHBondContact O-N 3.04Å; G26-K28 PolarHBondContact O-N 3.49Å |
| 27 | S | 88 | Confident | 88.4 | Confident | 19 Ų | 19 | 77.4 Ų | 77.4 | 13% | 0.133 | 44% | 0.438 | C | S | . | . | trans | -64.8 | 131.7 | 178.1 | -77 | 0 | 0 | 0 | 0 | 111.2 | E22 S25 | E22-S27 WeakPolarHBondContact O-CB 3.22Å; E22-S27 PolarHBondContact O-N 3.33Å; S25-S27 VanDerWaalsContact C-N 3.31Å; S25-S27 PolarHBondContact OG-N 2.83Å; S25-S27 PolarHBondContact OG-OG 3Å | ||
| 28 | K | 89.4 | Confident | 88.3 | Confident | 164 Ų | 164 | 77.6 Ų | 77.6 | 71% | 0.713 | 44% | 0.435 | S | S | * | . | trans | -82.2 | 142.5 | -179.4 | -62.9 | -178.5 | -178.6 | 178.7 | 0 | 110.8 | G26 I30 A308 S309 | G26-K28 PolarHBondContact O-N 3.49Å; K28-I30 PolarHBondContact O-N 2.93Å; K28-A308 CarbonylContact O-C 3.52Å; K28-S309 PolarHBondContact N-OG 2.91Å; K28-S309 PolarHBondContact O-N 2.82Å | ||
| 29 | Y | 92.8 | Very high | 88.4 | Confident | 107 Ų | 107 | 81.1 Ų | 81.1 | 42% | 0.42 | 45% | 0.451 | S | S | . | . | B | Isolated β-bridge | trans | -70.6 | 115 | 171.2 | -170.5 | -92.2 | 0 | 0 | 0 | 110.4 | L18 P31 F33 P56 P307 | L18-Y29 HydrophobicContact CD1-CD2 4.37Å; L18-Y29 HydrophobicContact CG-CD2 4.31Å; Y29-P31 HydrophobicContact CD1-CG 4.27Å; Y29-P31 HydrophobicContact CE1-CG 3.68Å; Y29-P31 VanDerWaalsContact CE1-O 3.26Å; Y29-P31 WeakPolarHBondContact CE1-O 3.12Å; Y29-P31 HydrophobicContact CE2-CG 4.23Å; Y29-F33 HydrophobicContact CE1-CE2 4.36Å; Y29-F33 WeakPolarHBondContact OH-CE2 3.38Å; Y29-P56 HydrophobicContact CE2-CG 4.13Å; Y29-P56 WeakPolarHBondContact OH-CD 3.24Å; Y29-P56 VanDerWaalsContact OH-CG 3.22Å; Y29-P56 WeakPolarHBondContact OH-CG 3.34Å; Y29-P307 CarbonylContact C-O 3.6Å; Y29-P307 WeakPolarHBondContact CA-O 3.46Å; Y29-P307 HydrophobicContact CD2-CB 3.58Å; Y29-P307 HydrophobicContact CD2-CG 4.28Å; Y29-P307 HydrophobicContact CE2-CB 3.47Å; Y29-P307 VanDerWaalsContact CE2-CB 3.47Å; Y29-P307 HydrophobicContact CE2-CG 4.23Å; Y29-P307 HydrophobicContact CG-CB 4.47Å |
| 30 | I | 93.5 | Very high | 88.7 | Confident | 26 Ų | 26 | 79.6 Ų | 79.6 | 13% | 0.133 | 44% | 0.444 | C | S | . | . | trans | -93.9 | -33.7 | -173.5 | 68.9 | -175.6 | 0 | 0 | 0 | 117.6 | K28 V43 P307 S309 E312 | K28-I30 PolarHBondContact O-N 2.93Å; I30-V43 HydrophobicContact CD1-CG1 3.82Å; I30-V43 HydrophobicContact CG1-CG1 4.19Å; I30-P307 WeakPolarHBondContact CG1-O 3.37Å; I30-P307 PolarHBondContact N-O 2.68Å; I30-S309 VanDerWaalsContact CG2-CA 3.47Å; I30-E312 HydrophobicContact CD1-CB 3.57Å; I30-E312 HydrophobicContact CD1-CG 3.84Å | ||
| 31 | P | 93.7 | Very high | 89.1 | Confident | 4 Ų | 4 | 73.3 Ų | 73.3 | 3% | 0.026 | 42% | 0.415 | C | S | . | . | trans | -79.4 | 132 | -168.6 | 31.7 | -33.7 | 0 | 0 | 0 | 111.2 | F15 Y29 F33 V41 V43 P307 | F15-P31 HydrophobicContact CD1-CB 3.96Å; F15-P31 HydrophobicContact CD1-CG 3.74Å; F15-P31 HydrophobicContact CE1-CB 3.65Å; F15-P31 HydrophobicContact CE1-CG 3.89Å; F15-P31 HydrophobicContact CE2-CB 4.37Å; F15-P31 HydrophobicContact CG-CB 4.43Å; F15-P31 HydrophobicContact CG-CG 4.27Å; F15-P31 HydrophobicContact CZ-CB 3.88Å; Y29-P31 HydrophobicContact CD1-CG 4.27Å; Y29-P31 HydrophobicContact CE1-CG 3.68Å; Y29-P31 VanDerWaalsContact CE1-O 3.26Å; Y29-P31 WeakPolarHBondContact CE1-O 3.12Å; Y29-P31 HydrophobicContact CE2-CG 4.23Å; P31-F33 HydrophobicContact CB-CE2 3.91Å; P31-F33 HydrophobicContact CB-CZ 3.78Å; P31-F33 HydrophobicContact CG-CE2 3.94Å; P31-F33 HydrophobicContact CG-CZ 3.97Å; P31-V41 HydrophobicContact CB-CG2 3.93Å; P31-V43 HydrophobicContact CB-CG2 4.2Å; P31-P307 HydrophobicContact CG-CB 4.08Å | ||
| 32 | K | 93.7 | Very high | 89.5 | Confident | 155 Ų | 155 | 70.7 Ų | 70.7 | 67% | 0.674 | 40% | 0.395 | S | S | * | . | B | Isolated β-bridge | trans | -110.1 | 126.8 | 174.9 | -61.7 | 179.2 | -179.5 | -177.7 | 0 | 109.6 | T42 | K32-T42 PolarHBondContact N-O 2.81Å; K32-T42 PolarHBondContact O-N 3.08Å |
| 33 | F | 92.6 | Very high | 89.7 | Confident | 46 Ų | 46 | 70.1 Ų | 70.1 | 20% | 0.202 | 39% | 0.392 | C | S | . | . | trans | -104.6 | 118.6 | 179.7 | -53.2 | -87.8 | 0 | 0 | 0 | 108.1 | F15 Y29 P31 V41 V53 R55 | F15-F33 HydrophobicContact CB-CZ 4.36Å; F15-F33 AromaticContact CD2-CE1 3.89Å; F15-F33 HydrophobicContact CD2-CE1 3.89Å; F15-F33 AromaticContact CD2-CZ 3.81Å; F15-F33 HydrophobicContact CD2-CZ 3.81Å; F15-F33 HydrophobicContact CE2-CE1 4.25Å; F15-F33 HydrophobicContact CE2-CZ 4.34Å; F15-F33 HydrophobicContact CG-CZ 4.09Å; Y29-F33 HydrophobicContact CE1-CE2 4.36Å; Y29-F33 WeakPolarHBondContact OH-CE2 3.38Å; P31-F33 HydrophobicContact CB-CE2 3.91Å; P31-F33 HydrophobicContact CB-CZ 3.78Å; P31-F33 HydrophobicContact CG-CE2 3.94Å; P31-F33 HydrophobicContact CG-CZ 3.97Å; F33-V41 HydrophobicContact CD1-CB 4.43Å; F33-V41 HydrophobicContact CD1-CG2 4.09Å; F33-V41 HydrophobicContact CE1-CB 4.34Å; F33-V41 HydrophobicContact CE1-CG2 3.78Å; F33-V41 HydrophobicContact CZ-CG2 4.25Å; F33-V53 HydrophobicContact CD1-CG1 4.01Å; F33-V53 HydrophobicContact CE1-CG1 3.63Å; F33-R55 HydrophobicContact CD1-CG 3.98Å; F33-R55 HydrophobicContact CE1-CG 4.18Å; F33-R55 HydrophobicContact CG-CG 4.19Å | ||
| 34 | P | 87.6 | Confident | 89.8 | Confident | 43 Ų | 43 | 66.6 Ų | 66.6 | 28% | 0.279 | 39% | 0.389 | S | S | . | . | trans | -65.7 | 138.3 | 176.1 | -15.5 | 29.6 | 0 | 0 | 0 | 110.3 | G36 A37 C40 | P34-G36 PolarHBondContact O-N 2.65Å; P34-A37 HydrophobicContact CB-CB 4.18Å; P34-A37 PolarHBondContact O-N 2.89Å; P34-C40 WeakPolarHBondContact CD-O 3.48Å; P34-C40 HydrophobicContact CG-CB 4.09Å | ||
| 35 | P | 81.9 | Confident | 90 | Very high | 131 Ų | 131 | 62.5 Ų | 62.5 | 85% | 0.851 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | 131.6 | 177.4 | 26.9 | -33.7 | 0 | 0 | 0 | 110.3 | A37 | P35-A37 VanDerWaalsContact C-N 3.33Å; P35-A37 PolarHBondContact O-N 3.28Å |
| 36 | G | 83.1 | Confident | 90.4 | Very high | 82 Ų | 82 | 64.3 Ų | 64.3 | 85% | 0.845 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.4 | -0.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | P34 | P34-G36 PolarHBondContact O-N 2.65Š|
| 37 | A | 85.3 | Confident | 90.8 | Very high | 32 Ų | 32 | 65.4 Ų | 65.4 | 26% | 0.264 | 39% | 0.385 | S | S | . | . | trans | -119.8 | 77.8 | 180 | 0 | 0 | 0 | 0 | 0 | 111.8 | P34 P35 E39 C40 | P34-A37 HydrophobicContact CB-CB 4.18Å; P34-A37 PolarHBondContact O-N 2.89Å; P35-A37 VanDerWaalsContact C-N 3.33Å; P35-A37 PolarHBondContact O-N 3.28Å; A37-E39 PolarHBondContact O-N 2.86Å; A37-E39 VanDerWaalsContact O-N 3.13Å; A37-C40 HydrophobicContact CB-CB 3.96Å; A37-C40 PolarHBondContact O-N 3.28Å; A37-C40 VanDerWaalsContact O-N 3.07Å | ||
| 38 | D | 89.1 | Confident | 91.2 | Very high | 79 Ų | 79 | 65.1 Ų | 65.1 | 42% | 0.422 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -4.7 | -180 | -72.9 | -28.1 | 0 | 0 | 0 | 114.3 | K52 V53 R55 | D38-K52 CarbonylContact O-C 3.53Å; D38-V53 WeakPolarHBondContact O-CA 3.44Å; D38-V53 WeakPolarHBondContact O-CB 3.31Å; D38-V53 PolarHBondContact O-N 3.36Å; D38-R55 IonicContact OD1-CZ 2.66Å; D38-R55 IonicContact OD1-NE 3.08Å; D38-R55 IonicContact OD1-NH2 3.36Å; D38-R55 PolarHBondContact OD1-NH2 3.34Å |
| 39 | E | 93.5 | Very high | 91.5 | Very high | 113 Ų | 113 | 60.9 Ų | 60.9 | 53% | 0.528 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | -12.5 | 172.4 | -67.4 | 168.2 | -163.3 | 0 | 0 | 112.9 | A37 V49 F50 V53 | A37-E39 PolarHBondContact O-N 2.86Å; A37-E39 VanDerWaalsContact O-N 3.13Å; E39-V49 HydrophobicContact CB-CG1 4.23Å; E39-V49 CarbonylContact O-C 3.56Å; E39-V49 WeakPolarHBondContact O-CA 3.36Å; E39-F50 WeakPolarHBondContact CB-O 3.21Å; E39-F50 PolarHBondContact O-N 3.41Å; E39-V53 WeakPolarHBondContact O-CG2 3.34Å |
| 40 | C | 94.4 | Very high | 91.7 | Very high | 24 Ų | 24 | 55.8 Ų | 55.8 | 16% | 0.162 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 138.8 | -164.6 | -71 | 0 | 0 | 0 | 0 | 113.5 | P34 A37 Y48 | P34-C40 WeakPolarHBondContact CD-O 3.48Å; P34-C40 HydrophobicContact CG-CB 4.09Å; A37-C40 HydrophobicContact CB-CB 3.96Å; A37-C40 PolarHBondContact O-N 3.28Å; A37-C40 VanDerWaalsContact O-N 3.07Å; C40-Y48 WeakPolarHBondContact CA-O 3.38Å |
| 41 | V | 95.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 139.8 | 168.1 | 66 | 0 | 0 | 0 | 0 | 111.6 | F15 P31 F33 V43 V47 Y48 F50 V53 L319 | F15-V41 HydrophobicContact CE2-CB 4.3Å; F15-V41 HydrophobicContact CE2-CG1 4.14Å; F15-V41 HydrophobicContact CE2-CG2 3.75Å; F15-V41 HydrophobicContact CZ-CG1 4.45Å; F15-V41 HydrophobicContact CZ-CG2 3.97Å; P31-V41 HydrophobicContact CB-CG2 3.93Å; F33-V41 HydrophobicContact CD1-CB 4.43Å; F33-V41 HydrophobicContact CD1-CG2 4.09Å; F33-V41 HydrophobicContact CE1-CB 4.34Å; F33-V41 HydrophobicContact CE1-CG2 3.78Å; F33-V41 HydrophobicContact CZ-CG2 4.25Å; V41-V43 HydrophobicContact CG2-CG2 4.12Å; V41-V47 CarbonylContact O-C 3.59Å; V41-V47 WeakPolarHBondContact O-CA 3.48Å; V41-Y48 PolarHBondContact N-O 2.88Å; V41-Y48 PolarHBondContact O-N 3.34Å; V41-F50 HydrophobicContact CG1-CE2 4.27Å; V41-V53 HydrophobicContact CB-CG1 4.11Å; V41-V53 HydrophobicContact CG1-CG1 4.49Å; V41-L319 HydrophobicContact CG1-CD2 3.97Å |
| 42 | T | 94 | Very high | 91.9 | Very high | 32 Ų | 32 | 60.5 Ų | 60.5 | 20% | 0.196 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 121.6 | 174.5 | -50.6 | 0 | 0 | 0 | 0 | 110.1 | K32 K46 V47 | K32-T42 PolarHBondContact N-O 2.81Å; K32-T42 PolarHBondContact O-N 3.08Å; T42-K46 WeakPolarHBondContact CA-O 3.45Å; T42-V47 HydrophobicContact CG2-CG2 4.4Å |
| 43 | V | 93.6 | Very high | 92 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 124.4 | 176 | -177.9 | 0 | 0 | 0 | 0 | 109.4 | F15 I30 P31 V41 G45 K46 Y48 E312 T315 K316 L319 | F15-V43 HydrophobicContact CZ-CG2 4.19Å; I30-V43 HydrophobicContact CD1-CG1 3.82Å; I30-V43 HydrophobicContact CG1-CG1 4.19Å; P31-V43 HydrophobicContact CB-CG2 4.2Å; V41-V43 HydrophobicContact CG2-CG2 4.12Å; V43-G45 PolarHBondContact O-N 2.83Å; V43-K46 PolarHBondContact N-O 2.73Å; V43-K46 PolarHBondContact O-N 3.38Å; V43-Y48 HydrophobicContact CB-CE2 4.31Å; V43-E312 HydrophobicContact CG1-CG 4.24Å; V43-T315 HydrophobicContact CG1-CG2 4.28Å; V43-T315 HydrophobicContact CG2-CG2 4.45Å; V43-K316 HydrophobicContact CG1-CG 4.15Å; V43-L319 HydrophobicContact CB-CD1 4.02Å; V43-L319 HydrophobicContact CG2-CD1 3.71Å |
| 44 | G | 88.9 | Confident | 92.2 | Very high | 48 Ų | 48 | 51.1 Ų | 51.1 | 50% | 0.495 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.5 | 35.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | K46 E312 | G44-K46 VanDerWaalsContact C-N 3.32Å; G44-K46 PolarHBondContact O-N 3.42Å; G44-E312 WeakPolarHBondContact CA-OE1 3.44Å |
| 45 | G | 89.3 | Confident | 92.5 | Very high | 74 Ų | 74 | 53.2 Ų | 53.2 | 76% | 0.763 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.3 | -10.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | V43 | V43-G45 PolarHBondContact O-N 2.83Š|
| 46 | K | 93.9 | Very high | 93 | Very high | 113 Ų | 113 | 48.6 Ų | 48.6 | 49% | 0.491 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 134 | 175.6 | -176 | 166.8 | 179.8 | 173.9 | 0 | 111 | T42 V43 G44 Y48 | T42-K46 WeakPolarHBondContact CA-O 3.45Å; V43-K46 PolarHBondContact N-O 2.73Å; V43-K46 PolarHBondContact O-N 3.38Å; G44-K46 VanDerWaalsContact C-N 3.32Å; G44-K46 PolarHBondContact O-N 3.42Å; K46-Y48 HydrophobicContact CB-CE2 3.87Å; K46-Y48 HydrophobicContact CD-CE1 4.17Å; K46-Y48 HydrophobicContact CD-CE2 4.39Å; K46-Y48 HydrophobicContact CG-CD2 4.44Å; K46-Y48 HydrophobicContact CG-CE1 4.42Å; K46-Y48 HydrophobicContact CG-CE2 3.91Å; K46-Y48 WeakPolarHBondContact O-CD2 3.45Å; K46-Y48 WeakPolarHBondContact O-CE2 3.26Å |
| 47 | V | 93.9 | Very high | 93.3 | Very high | 81 Ų | 81 | 51.1 Ų | 51.1 | 49% | 0.491 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 139.2 | 171.4 | -172.2 | 0 | 0 | 0 | 0 | 109.5 | V41 T42 | V41-V47 CarbonylContact O-C 3.59Å; V41-V47 WeakPolarHBondContact O-CA 3.48Å; T42-V47 HydrophobicContact CG2-CG2 4.4Å |
| 48 | Y | 96.3 | Very high | 93.7 | Very high | 14 Ų | 14 | 50.7 Ų | 50.7 | 6% | 0.055 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 140.5 | 175 | -58.4 | -96.9 | 0 | 0 | 0 | 108.7 | C40 V41 V43 K46 L319 L320 | C40-Y48 WeakPolarHBondContact CA-O 3.38Å; V41-Y48 PolarHBondContact N-O 2.88Å; V41-Y48 PolarHBondContact O-N 3.34Å; V43-Y48 HydrophobicContact CB-CE2 4.31Å; K46-Y48 HydrophobicContact CB-CE2 3.87Å; K46-Y48 HydrophobicContact CD-CE1 4.17Å; K46-Y48 HydrophobicContact CD-CE2 4.39Å; K46-Y48 HydrophobicContact CG-CD2 4.44Å; K46-Y48 HydrophobicContact CG-CE1 4.42Å; K46-Y48 HydrophobicContact CG-CE2 3.91Å; K46-Y48 WeakPolarHBondContact O-CD2 3.45Å; K46-Y48 WeakPolarHBondContact O-CE2 3.26Å; Y48-L319 HydrophobicContact CD1-CB 3.59Å; Y48-L319 HydrophobicContact CD2-CB 4.32Å; Y48-L319 HydrophobicContact CD2-CD1 3.92Å; Y48-L319 HydrophobicContact CE1-CB 3.63Å; Y48-L319 HydrophobicContact CE2-CB 4.38Å; Y48-L319 HydrophobicContact CE2-CD1 3.91Å; Y48-L319 HydrophobicContact CG-CB 3.94Å; Y48-L319 HydrophobicContact CG-CD1 4.31Å; Y48-L320 HydrophobicContact CE1-CD2 3.87Å; Y48-L320 HydrophobicContact CE1-CG 4.01Å |
| 49 | V | 95.7 | Very high | 94 | Very high | 74 Ų | 74 | 49.2 Ų | 49.2 | 45% | 0.448 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 131.2 | -174.8 | -170.4 | 0 | 0 | 0 | 0 | 109.5 | E39 | E39-V49 HydrophobicContact CB-CG1 4.23Å; E39-V49 CarbonylContact O-C 3.56Å; E39-V49 WeakPolarHBondContact O-CA 3.36Å |
| 50 | F | 96.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 26% | 0.263 | C | S | . | . | trans | -133 | -179.2 | -175.3 | -64 | -69.6 | 0 | 0 | 0 | 110.1 | V11 C13 E39 V41 V53 I303 L319 A323 K326 | V11-F50 HydrophobicContact CB-CD1 4.17Å; V11-F50 HydrophobicContact CG1-CD1 3.61Å; V11-F50 HydrophobicContact CG1-CE1 4Å; V11-F50 WeakPolarHBondContact O-CB 3.45Å; C13-F50 HydrophobicContact CB-CD2 3.72Å; C13-F50 HydrophobicContact CB-CE2 4.09Å; C13-F50 HydrophobicContact CB-CG 4.08Å; E39-F50 WeakPolarHBondContact CB-O 3.21Å; E39-F50 PolarHBondContact O-N 3.41Å; V41-F50 HydrophobicContact CG1-CE2 4.27Å; F50-V53 HydrophobicContact CB-CG2 4.24Å; F50-V53 HydrophobicContact CD2-CG2 3.97Å; F50-I303 HydrophobicContact CD1-CD1 4.27Å; F50-I303 HydrophobicContact CE1-CD1 3.6Å; F50-I303 HydrophobicContact CE2-CD1 4.21Å; F50-I303 HydrophobicContact CZ-CD1 3.57Å; F50-L319 HydrophobicContact CE2-CD2 3.54Å; F50-L319 HydrophobicContact CZ-CB 4.26Å; F50-L319 HydrophobicContact CZ-CD2 3.78Å; F50-A323 HydrophobicContact CE1-CB 4.5Å; F50-K326 PolarHBondContact O-NZ 2.71Å | ||
| 51 | D | 95.7 | Very high | 94.1 | Very high | 61 Ų | 61 | 47.9 Ų | 47.9 | 33% | 0.326 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -76.5 | -30 | 175.4 | -61.7 | -68.1 | 0 | 0 | 0 | 112.1 | V11 K326 | V11-D51 PolarHBondContact N-OD2 3.3Å; V11-D51 PolarHBondContact O-N 2.92Å; D51-K326 VanDerWaalsContact CG-CE 3.44Å; D51-K326 WeakPolarHBondContact OD1-CE 3.35Å; D51-K326 IonicContact OD1-NZ 3.82Å; D51-K326 PolarHBondContact OD1-NZ 2.81Å; D51-K326 WeakPolarHBondContact OD2-CE 3.43Å; D51-K326 IonicContact OD2-NZ 3.57Å; D51-K326 PolarHBondContact OD2-NZ 3.25Å |
| 52 | K | 95.7 | Very high | 94.1 | Very high | 69 Ų | 69 | 53 Ų | 53 | 30% | 0.3 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159 | 151.2 | 161.2 | -164.4 | 169.3 | 175.8 | -179.7 | 0 | 110.2 | F12 C13 D38 F54 A66 | F12-K52 WeakPolarHBondContact CA-O 3Å; F12-K52 HydrophobicContact CD1-CB 3.8Å; F12-K52 HydrophobicContact CE1-CB 4.05Å; C13-K52 PolarHBondContact N-O 2.69Å; D38-K52 CarbonylContact O-C 3.53Å; K52-F54 HydrophobicContact CD-CD1 4.24Å; K52-F54 HydrophobicContact CD-CE1 3.74Å; K52-F54 HydrophobicContact CD-CZ 4.47Å; K52-F54 HydrophobicContact CG-CD1 4.36Å; K52-F54 HydrophobicContact CG-CE1 4.18Å; K52-A66 HydrophobicContact CD-CB 4.29Å |
| 53 | V | 96.8 | Very high | 94.2 | Very high | 4 Ų | 4 | 51.5 Ų | 51.5 | 2% | 0.024 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 103.8 | 174.6 | -175.3 | 0 | 0 | 0 | 0 | 109 | C13 F15 F33 D38 E39 V41 F50 R55 | C13-V53 HydrophobicContact CB-CB 4.49Å; C13-V53 HydrophobicContact CB-CG1 4.21Å; C13-V53 HydrophobicContact CB-CG2 4.14Å; C13-V53 CarbonylContact O-C 3.49Å; C13-V53 WeakPolarHBondContact O-CA 3.43Å; F15-V53 HydrophobicContact CD2-CG1 4.25Å; F15-V53 HydrophobicContact CE2-CG1 4.27Å; F33-V53 HydrophobicContact CD1-CG1 4.01Å; F33-V53 HydrophobicContact CE1-CG1 3.63Å; D38-V53 WeakPolarHBondContact O-CA 3.44Å; D38-V53 WeakPolarHBondContact O-CB 3.31Å; D38-V53 PolarHBondContact O-N 3.36Å; E39-V53 WeakPolarHBondContact O-CG2 3.34Å; V41-V53 HydrophobicContact CB-CG1 4.11Å; V41-V53 HydrophobicContact CG1-CG1 4.49Å; F50-V53 HydrophobicContact CB-CG2 4.24Å; F50-V53 HydrophobicContact CD2-CG2 3.97Å; V53-R55 PolarHBondContact O-N 2.94Å |
| 54 | F | 96.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 121.4 | 173.5 | -51.3 | -63.6 | 0 | 0 | 0 | 110.7 | F12 C13 R14 F15 K52 V58 V63 A66 | F12-F54 HydrophobicContact CB-CD2 4.37Å; F12-F54 HydrophobicContact CB-CE2 3.67Å; F12-F54 HydrophobicContact CB-CZ 4.41Å; F12-F54 AromaticContact CD1-CE2 3.74Å; F12-F54 HydrophobicContact CD1-CE2 3.74Å; F12-F54 AromaticContact CD1-CZ 3.6Å; F12-F54 HydrophobicContact CD1-CZ 3.6Å; F12-F54 HydrophobicContact CE1-CZ 4.32Å; F12-F54 HydrophobicContact CG-CE2 4.04Å; F12-F54 HydrophobicContact CG-CZ 4.32Å; C13-F54 PolarHBondContact O-N 2.92Å; R14-F54 HydrophobicContact CB-CB 4.29Å; R14-F54 HydrophobicContact CB-CD2 4.17Å; R14-F54 HydrophobicContact CG-CB 4.05Å; R14-F54 HydrophobicContact CG-CD2 4.49Å; F15-F54 PolarHBondContact N-O 3.36Å; K52-F54 HydrophobicContact CD-CD1 4.24Å; K52-F54 HydrophobicContact CD-CE1 3.74Å; K52-F54 HydrophobicContact CD-CZ 4.47Å; K52-F54 HydrophobicContact CG-CD1 4.36Å; K52-F54 HydrophobicContact CG-CE1 4.18Å; F54-V58 HydrophobicContact CB-CB 4.17Å; F54-V58 HydrophobicContact CB-CG1 4.1Å; F54-V58 HydrophobicContact CB-CG2 4.21Å; F54-V58 HydrophobicContact CD1-CG1 3.77Å; F54-V58 HydrophobicContact CG-CG1 4.25Å; F54-V63 HydrophobicContact CB-CG2 4.23Å; F54-V63 HydrophobicContact CD1-CG2 3.96Å; F54-V63 HydrophobicContact CD2-CG1 4.25Å; F54-V63 HydrophobicContact CD2-CG2 3.83Å; F54-V63 HydrophobicContact CE1-CG2 4.17Å; F54-V63 HydrophobicContact CE2-CB 4.28Å; F54-V63 HydrophobicContact CE2-CG1 3.84Å; F54-V63 HydrophobicContact CE2-CG2 4.04Å; F54-V63 HydrophobicContact CG-CG2 3.76Å; F54-V63 HydrophobicContact CZ-CB 4.29Å; F54-V63 HydrophobicContact CZ-CG1 4.22Å; F54-V63 HydrophobicContact CZ-CG2 4.21Å; F54-A66 HydrophobicContact CE1-CB 3.79Å; F54-A66 HydrophobicContact CZ-CB 3.7Å |
| 55 | R | 93.9 | Very high | 94.7 | Very high | 86 Ų | 86 | 53.4 Ų | 53.4 | 33% | 0.325 | 29% | 0.289 | S | S | . | . | trans | -78.6 | 163.5 | 175.5 | -54.1 | -179.2 | -163.4 | 177.5 | 6 | 110.1 | F33 D38 V53 N57 V58 | F33-R55 HydrophobicContact CD1-CG 3.98Å; F33-R55 HydrophobicContact CE1-CG 4.18Å; F33-R55 HydrophobicContact CG-CG 4.19Å; D38-R55 IonicContact OD1-CZ 2.66Å; D38-R55 IonicContact OD1-NE 3.08Å; D38-R55 IonicContact OD1-NH2 3.36Å; D38-R55 PolarHBondContact OD1-NH2 3.34Å; V53-R55 PolarHBondContact O-N 2.94Å; R55-N57 WeakPolarHBondContact CB-OD1 3.43Å; R55-N57 PolarHBondContact O-N 2.82Å; R55-V58 HydrophobicContact CB-CG2 4.35Å; R55-V58 WeakPolarHBondContact O-CB 3.45Å; R55-V58 WeakPolarHBondContact O-CG2 3.28Å; R55-V58 PolarHBondContact O-N 3.39Å; R55-V58 VanDerWaalsContact O-N 3.08Å | ||
| 56 | P | 91.7 | Very high | 94.9 | Very high | 35 Ų | 35 | 51.2 Ų | 51.2 | 23% | 0.227 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -19.6 | -177.8 | -31.4 | 39.3 | 0 | 0 | 0 | 117.3 | F15 P17 Y29 | F15-P56 HydrophobicContact CB-CG 4.21Å; F15-P56 VanDerWaalsContact O-CA 3.29Å; F15-P56 WeakPolarHBondContact O-CA 3.41Å; P17-P56 HydrophobicContact CB-CB 4.46Å; P17-P56 HydrophobicContact CG-CB 3.99Å; Y29-P56 HydrophobicContact CE2-CG 4.13Å; Y29-P56 WeakPolarHBondContact OH-CD 3.24Å; Y29-P56 VanDerWaalsContact OH-CG 3.22Å; Y29-P56 WeakPolarHBondContact OH-CG 3.34Å |
| 57 | N | 90.6 | Very high | 94.9 | Very high | 134 Ų | 134 | 45.9 Ų | 45.9 | 72% | 0.717 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.8 | 5.2 | -178.7 | 67.4 | -65 | 0 | 0 | 0 | 114 | R55 | R55-N57 WeakPolarHBondContact CB-OD1 3.43Å; R55-N57 PolarHBondContact O-N 2.82Å |
| 58 | V | 93.6 | Very high | 94.9 | Very high | 24 Ų | 24 | 42 Ų | 42 | 15% | 0.145 | 22% | 0.217 | C | C | . | . | trans | -79.6 | 129.8 | 178.6 | 173.2 | 0 | 0 | 0 | 0 | 110.4 | F54 R55 E62 V63 | F54-V58 HydrophobicContact CB-CB 4.17Å; F54-V58 HydrophobicContact CB-CG1 4.1Å; F54-V58 HydrophobicContact CB-CG2 4.21Å; F54-V58 HydrophobicContact CD1-CG1 3.77Å; F54-V58 HydrophobicContact CG-CG1 4.25Å; R55-V58 HydrophobicContact CB-CG2 4.35Å; R55-V58 WeakPolarHBondContact O-CB 3.45Å; R55-V58 WeakPolarHBondContact O-CG2 3.28Å; R55-V58 PolarHBondContact O-N 3.39Å; R55-V58 VanDerWaalsContact O-N 3.08Å; V58-E62 HydrophobicContact CG1-CB 3.68Å; V58-E62 WeakPolarHBondContact CG1-OE2 3.35Å; V58-V63 HydrophobicContact CG1-CG2 3.74Å | ||
| 59 | S | 94.7 | Very high | 94.8 | Very high | 48 Ų | 48 | 45.9 Ų | 45.9 | 34% | 0.336 | 23% | 0.232 | S | C | . | . | trans | -68 | 164.3 | -179.3 | 75 | 0 | 0 | 0 | 0 | 113 | E61 E62 V63 | S59-E61 VanDerWaalsContact C-N 3.29Å; S59-E61 PolarHBondContact O-N 3.27Å; S59-E62 WeakPolarHBondContact OG-CG 3.33Å; S59-E62 PolarHBondContact OG-N 3.47Å; S59-E62 VanDerWaalsContact OG-N 3.08Å; S59-V63 WeakPolarHBondContact O-CG2 3.35Å; S59-V63 PolarHBondContact O-N 2.96Å | ||
| 60 | Q | 95.2 | Very high | 94.6 | Very high | 6 Ų | 6 | 45.1 Ų | 45.1 | 3% | 0.028 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.8 | -37.8 | 174 | -66.6 | -82.5 | 67.1 | 0 | 0 | 112.2 | R14 V63 Y64 F95 F106 Q107 | R14-Q60 VanDerWaalsContact CZ-OE1 3.24Å; Q60-V63 PolarHBondContact O-N 2.87Å; Q60-Y64 WeakPolarHBondContact O-CB 3.37Å; Q60-Y64 PolarHBondContact O-N 2.96Å; Q60-F95 HydrophobicContact CG-CE1 4.36Å; Q60-F95 HydrophobicContact CG-CZ 4.25Å; Q60-F95 PolarHBondContact NE2-O 3.13Å; Q60-F106 PolarHBondContact NE2-O 3.46Å; Q60-Q107 WeakPolarHBondContact CB-O 3.43Å |
| 61 | E | 95.4 | Very high | 94.4 | Very high | 103 Ų | 103 | 45.5 Ų | 45.5 | 48% | 0.481 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -62.9 | -45 | 177.6 | -177.2 | 176 | -158.7 | 0 | 0 | 112.1 | S59 V63 Y64 H65 | S59-E61 VanDerWaalsContact C-N 3.29Å; S59-E61 PolarHBondContact O-N 3.27Å; E61-V63 VanDerWaalsContact C-N 3.33Å; E61-V63 PolarHBondContact O-N 3.12Å; E61-Y64 WeakPolarHBondContact O-CB 3.32Å; E61-Y64 PolarHBondContact O-N 3.45Å; E61-H65 PolarHBondContact O-CD2 2.98Å; E61-H65 VanDerWaalsContact O-CD2 3.31Å; E61-H65 PolarHBondContact O-N 3.4Å |
| 62 | E | 95.3 | Very high | 94.2 | Very high | 106 Ų | 106 | 42.6 Ų | 42.6 | 50% | 0.495 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -63.9 | -36.6 | 175.7 | -77.4 | -178.9 | -162.9 | 0 | 0 | 112.7 | V58 S59 A66 | V58-E62 HydrophobicContact CG1-CB 3.68Å; V58-E62 WeakPolarHBondContact CG1-OE2 3.35Å; S59-E62 WeakPolarHBondContact OG-CG 3.33Å; S59-E62 PolarHBondContact OG-N 3.47Å; S59-E62 VanDerWaalsContact OG-N 3.08Å; E62-A66 WeakPolarHBondContact O-CB 3.45Å; E62-A66 PolarHBondContact O-N 3.07Å |
| 63 | V | 96 | Very high | 93.9 | Very high | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.006 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -66.5 | -44.2 | 173 | 173.5 | 0 | 0 | 0 | 0 | 110.7 | F54 V58 S59 Q60 E61 A66 A67 T96 I109 | F54-V63 HydrophobicContact CB-CG2 4.23Å; F54-V63 HydrophobicContact CD1-CG2 3.96Å; F54-V63 HydrophobicContact CD2-CG1 4.25Å; F54-V63 HydrophobicContact CD2-CG2 3.83Å; F54-V63 HydrophobicContact CE1-CG2 4.17Å; F54-V63 HydrophobicContact CE2-CB 4.28Å; F54-V63 HydrophobicContact CE2-CG1 3.84Å; F54-V63 HydrophobicContact CE2-CG2 4.04Å; F54-V63 HydrophobicContact CG-CG2 3.76Å; F54-V63 HydrophobicContact CZ-CB 4.29Å; F54-V63 HydrophobicContact CZ-CG1 4.22Å; F54-V63 HydrophobicContact CZ-CG2 4.21Å; V58-V63 HydrophobicContact CG1-CG2 3.74Å; S59-V63 WeakPolarHBondContact O-CG2 3.35Å; S59-V63 PolarHBondContact O-N 2.96Å; Q60-V63 PolarHBondContact O-N 2.87Å; E61-V63 VanDerWaalsContact C-N 3.33Å; E61-V63 PolarHBondContact O-N 3.12Å; V63-A66 PolarHBondContact O-N 3.38Å; V63-A67 VanDerWaalsContact O-CB 3.27Å; V63-A67 WeakPolarHBondContact O-CB 3.34Å; V63-A67 PolarHBondContact O-N 3.5Å; V63-T96 HydrophobicContact CG1-CG2 4.1Å; V63-I109 HydrophobicContact CG1-CD1 4.41Å |
| 64 | Y | 96.5 | Very high | 93.7 | Very high | 4 Ų | 4 | 47.4 Ų | 47.4 | 2% | 0.016 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.3 | -52.6 | 179 | 169.8 | -109.2 | 0 | 0 | 0 | 112.4 | Q60 E61 A66 A67 A68 Y69 R112 I113 D116 | Q60-Y64 WeakPolarHBondContact O-CB 3.37Å; Q60-Y64 PolarHBondContact O-N 2.96Å; E61-Y64 WeakPolarHBondContact O-CB 3.32Å; E61-Y64 PolarHBondContact O-N 3.45Å; Y64-A66 VanDerWaalsContact C-N 3.28Å; Y64-A66 PolarHBondContact O-N 3.34Å; Y64-A67 PolarHBondContact O-N 3.37Å; Y64-A68 HydrophobicContact CD2-CB 3.61Å; Y64-A68 HydrophobicContact CE2-CB 3.78Å; Y64-A68 WeakPolarHBondContact O-CB 3.49Å; Y64-A68 PolarHBondContact O-N 2.92Å; Y64-Y69 AromaticContact CE1-CD2 3.94Å; Y64-Y69 HydrophobicContact CE1-CD2 3.94Å; Y64-Y69 HydrophobicContact CE1-CG 4.5Å; Y64-Y69 PolarHBondContact O-N 2.93Å; Y64-R112 HydrophobicContact CD1-CB 3.82Å; Y64-R112 HydrophobicContact CD1-CG 4.37Å; Y64-R112 HydrophobicContact CD2-CB 3.67Å; Y64-R112 HydrophobicContact CE1-CB 3.86Å; Y64-R112 HydrophobicContact CE2-CB 3.78Å; Y64-R112 HydrophobicContact CG-CB 3.72Å; Y64-R112 HydrophobicContact CG-CG 4.3Å; Y64-I113 HydrophobicContact CD2-CG1 4.42Å; Y64-I113 HydrophobicContact CE2-CG1 3.64Å; Y64-D116 VanDerWaalsContact CE1-OD2 3.22Å; Y64-D116 WeakPolarHBondContact CE1-OD2 3.4Å; Y64-D116 VanDerWaalsContact CZ-OD2 3.28Å; Y64-D116 WeakPolarHBondContact OH-CB 3.42Å; Y64-D116 VanDerWaalsContact OH-CG 3.3Å; Y64-D116 PolarHBondContact OH-OD2 3.38Å |
| 65 | H | 95.7 | Very high | 93.5 | Very high | 84 Ų | 84 | 47.5 Ų | 47.5 | 39% | 0.389 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -63.1 | -33 | -178.9 | -77.2 | -59.9 | 0 | 0 | 0 | 113.5 | E61 Y69 | E61-H65 PolarHBondContact O-CD2 2.98Å; E61-H65 VanDerWaalsContact O-CD2 3.31Å; E61-H65 PolarHBondContact O-N 3.4Å; H65-Y69 AromaticContact ND1-CD2 3.86Å; H65-Y69 AromaticContact ND1-CG 3.7Å |
| 66 | A | 93.8 | Very high | 93.4 | Very high | 29 Ų | 29 | 43.6 Ų | 43.6 | 24% | 0.24 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -80.4 | -42.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | F12 K52 F54 E62 V63 Y64 | F12-A66 HydrophobicContact CE1-CB 4.13Å; F12-A66 WeakPolarHBondContact CE1-O 3.24Å; F12-A66 WeakPolarHBondContact CZ-O 3.29Å; K52-A66 HydrophobicContact CD-CB 4.29Å; F54-A66 HydrophobicContact CE1-CB 3.79Å; F54-A66 HydrophobicContact CZ-CB 3.7Å; E62-A66 WeakPolarHBondContact O-CB 3.45Å; E62-A66 PolarHBondContact O-N 3.07Å; V63-A66 PolarHBondContact O-N 3.38Å; Y64-A66 VanDerWaalsContact C-N 3.28Å; Y64-A66 PolarHBondContact O-N 3.34Å |
| 67 | A | 93.6 | Very high | 93.3 | Very high | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.008 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -95.9 | -32.4 | -170.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | F12 V63 Y64 T300 V302 | F12-A67 HydrophobicContact CD1-CB 4.22Å; F12-A67 HydrophobicContact CD2-CB 3.91Å; F12-A67 HydrophobicContact CE1-CB 4.41Å; F12-A67 HydrophobicContact CE2-CB 4.08Å; F12-A67 HydrophobicContact CG-CB 3.99Å; F12-A67 HydrophobicContact CZ-CB 4.34Å; V63-A67 VanDerWaalsContact O-CB 3.27Å; V63-A67 WeakPolarHBondContact O-CB 3.34Å; V63-A67 PolarHBondContact O-N 3.5Å; Y64-A67 PolarHBondContact O-N 3.37Å; A67-T300 HydrophobicContact CB-CG2 4.17Å; A67-T300 WeakPolarHBondContact O-CG2 3.38Å; A67-T300 PolarHBondContact O-OG1 3.15Å; A67-T300 VanDerWaalsContact O-OG1 3.14Å; A67-V302 HydrophobicContact CB-CG2 4.06Å |
| 68 | A | 94.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -121.2 | -42.7 | -163.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y64 P70 I71 I83 I109 I113 | Y64-A68 HydrophobicContact CD2-CB 3.61Å; Y64-A68 HydrophobicContact CE2-CB 3.78Å; Y64-A68 WeakPolarHBondContact O-CB 3.49Å; Y64-A68 PolarHBondContact O-N 2.92Å; A68-P70 VanDerWaalsContact C-CD 3.41Å; A68-P70 VanDerWaalsContact C-N 3.33Å; A68-I71 WeakPolarHBondContact O-CB 3.41Å; A68-I71 PolarHBondContact O-N 3.36Å; A68-I83 HydrophobicContact CB-CD1 3.64Å; A68-I109 HydrophobicContact CB-CD1 4.45Å; A68-I109 HydrophobicContact CB-CG1 4.29Å; A68-I109 HydrophobicContact CB-CG2 3.62Å; A68-I113 HydrophobicContact CB-CD1 4.13Å; A68-I113 HydrophobicContact CB-CG1 4.33Å |
| 69 | Y | 94.4 | Very high | 93.4 | Very high | 94 Ų | 94 | 39.4 Ų | 39.4 | 37% | 0.369 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -50 | -41.5 | -178 | -178.9 | -102 | 0 | 0 | 0 | 114.6 | Y64 H65 I71 V72 D116 | Y64-Y69 AromaticContact CE1-CD2 3.94Å; Y64-Y69 HydrophobicContact CE1-CD2 3.94Å; Y64-Y69 HydrophobicContact CE1-CG 4.5Å; Y64-Y69 PolarHBondContact O-N 2.93Å; H65-Y69 AromaticContact ND1-CD2 3.86Å; H65-Y69 AromaticContact ND1-CG 3.7Å; Y69-I71 VanDerWaalsContact C-N 3.26Å; Y69-I71 PolarHBondContact O-N 3.32Å; Y69-V72 WeakPolarHBondContact O-CB 3.48Å; Y69-V72 PolarHBondContact O-N 2.71Å; Y69-D116 VanDerWaalsContact CD2-OD2 3.28Å; Y69-D116 WeakPolarHBondContact CD2-OD2 3.23Å; Y69-D116 WeakPolarHBondContact CE2-OD2 3.39Å |
| 70 | P | 91.8 | Very high | 93.4 | Very high | 58 Ų | 58 | 37.3 Ų | 37.3 | 38% | 0.377 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -60.6 | -32.7 | 176.9 | -24.1 | 35.5 | 0 | 0 | 0 | 113.9 | A68 V72 | A68-P70 VanDerWaalsContact C-CD 3.41Å; A68-P70 VanDerWaalsContact C-N 3.33Å; P70-V72 VanDerWaalsContact C-N 3.33Å; P70-V72 PolarHBondContact O-N 2.92Å |
| 71 | I | 92.4 | Very high | 93.4 | Very high | 9 Ų | 9 | 37 Ų | 37 | 5% | 0.046 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -70.7 | -30.2 | -179.1 | -66 | 177.7 | 0 | 0 | 0 | 111.2 | A68 Y69 K73 D74 V75 I83 L229 T300 | A68-I71 WeakPolarHBondContact O-CB 3.41Å; A68-I71 PolarHBondContact O-N 3.36Å; Y69-I71 VanDerWaalsContact C-N 3.26Å; Y69-I71 PolarHBondContact O-N 3.32Å; I71-K73 PolarHBondContact O-N 2.96Å; I71-D74 PolarHBondContact O-N 3.05Å; I71-V75 HydrophobicContact CG2-CG2 3.76Å; I71-V75 VanDerWaalsContact O-CG2 3.31Å; I71-V75 WeakPolarHBondContact O-CG2 3.36Å; I71-V75 PolarHBondContact O-N 2.95Å; I71-I83 HydrophobicContact CD1-CD1 4.21Å; I71-I83 HydrophobicContact CD1-CG1 3.76Å; I71-L229 HydrophobicContact CG2-CD1 3.83Å; I71-T300 WeakPolarHBondContact CD1-OG1 3.44Å |
| 72 | V | 91.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -57.9 | -49.7 | -179.7 | 176.6 | 0 | 0 | 0 | 0 | 111 | Y69 P70 D74 V75 L76 I113 D116 I117 | Y69-V72 WeakPolarHBondContact O-CB 3.48Å; Y69-V72 PolarHBondContact O-N 2.71Å; P70-V72 VanDerWaalsContact C-N 3.33Å; P70-V72 PolarHBondContact O-N 2.92Å; V72-D74 VanDerWaalsContact C-N 3.33Å; V72-D74 PolarHBondContact O-N 3.08Å; V72-V75 PolarHBondContact O-N 3.32Å; V72-L76 HydrophobicContact CG1-CD1 4.25Å; V72-L76 WeakPolarHBondContact O-CG 3.42Å; V72-L76 PolarHBondContact O-N 3.32Å; V72-L76 VanDerWaalsContact O-N 3.11Å; V72-I113 HydrophobicContact CG2-CB 4.48Å; V72-I113 HydrophobicContact CG2-CG1 4.07Å; V72-I113 HydrophobicContact CG2-CG2 4.39Å; V72-D116 HydrophobicContact CG1-CB 4.26Å; V72-I117 HydrophobicContact CG1-CG1 3.85Å |
| 73 | K | 88.9 | Confident | 93.5 | Very high | 144 Ų | 144 | 27.1 Ų | 27.1 | 63% | 0.626 | 14% | 0.136 | S | C | * | . | H | α-helix | trans | -62.8 | -39.9 | 177.3 | -176.4 | 177.3 | 179.7 | 178.3 | 0 | 112.3 | I71 S77 | I71-K73 PolarHBondContact O-N 2.96Å; K73-S77 WeakPolarHBondContact O-CB 3.38Å; K73-S77 PolarHBondContact O-N 3.24Å; K73-S77 PolarHBondContact O-OG 3.39Å |
| 74 | D | 91.3 | Very high | 93.3 | Very high | 29 Ų | 29 | 27.3 Ų | 27.3 | 16% | 0.155 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -67.1 | -41 | 179.1 | -73.4 | -30.9 | 0 | 0 | 0 | 111.6 | I71 V72 S77 G78 Y79 R298 | I71-D74 PolarHBondContact O-N 3.05Å; V72-D74 VanDerWaalsContact C-N 3.33Å; V72-D74 PolarHBondContact O-N 3.08Å; D74-S77 CarbonylContact O-C 3.59Å; D74-S77 WeakPolarHBondContact O-CA 3.47Å; D74-S77 WeakPolarHBondContact O-CB 3.41Å; D74-S77 PolarHBondContact O-N 3.02Å; D74-G78 PolarHBondContact O-N 2.98Å; D74-Y79 HydrophobicContact CB-CD2 3.92Å; D74-Y79 HydrophobicContact CB-CG 4.48Å; D74-Y79 WeakPolarHBondContact O-CB 3.43Å; D74-Y79 WeakPolarHBondContact O-CD2 3.44Å; D74-Y79 PolarHBondContact O-N 2.92Å; D74-R298 VanDerWaalsContact CB-CD 3.48Å; D74-R298 VanDerWaalsContact CG-NE 3.33Å; D74-R298 IonicContact OD1-CZ 3.74Å; D74-R298 IonicContact OD1-NE 3.2Å; D74-R298 IonicContact OD1-NH1 2.64Å; D74-R298 IonicContact OD1-NH2 3.06Å; D74-R298 WeakPolarHBondContact OD2-CD 3.42Å; D74-R298 IonicContact OD2-CZ 3.67Å; D74-R298 IonicContact OD2-NE 3.73Å; D74-R298 PolarHBondContact OD2-NE 2.74Å; D74-R298 VanDerWaalsContact OD2-NE 3.17Å; D74-R298 IonicContact OD2-NH1 3.31Å; D74-R298 PolarHBondContact OD2-NH1 3.12Å |
| 75 | V | 93.3 | Very high | 93.3 | Very high | 2 Ų | 2 | 27.1 Ų | 27.1 | 1% | 0.012 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -64.3 | -43.2 | 177.5 | 172.6 | 0 | 0 | 0 | 0 | 111.4 | I71 V72 S77 G78 Y79 I214 L229 | I71-V75 HydrophobicContact CG2-CG2 3.76Å; I71-V75 VanDerWaalsContact O-CG2 3.31Å; I71-V75 WeakPolarHBondContact O-CG2 3.36Å; I71-V75 PolarHBondContact O-N 2.95Å; V72-V75 PolarHBondContact O-N 3.32Å; V75-S77 PolarHBondContact O-N 2.92Å; V75-G78 PolarHBondContact O-N 3.16Å; V75-G78 VanDerWaalsContact O-N 3.08Å; V75-Y79 WeakPolarHBondContact CA-O 3.16Å; V75-I214 HydrophobicContact CG1-CD1 4.04Å; V75-I214 HydrophobicContact CG1-CG1 4.45Å; V75-L229 HydrophobicContact CG1-CB 4.13Å; V75-L229 HydrophobicContact CG2-CB 4.05Å; V75-L229 HydrophobicContact CG2-CD1 4.26Å; V75-L229 HydrophobicContact CG2-CD2 4.49Å; V75-L229 HydrophobicContact CG2-CG 4.5Å |
| 76 | L | 91 | Very high | 93.3 | Very high | 5 Ų | 5 | 24.2 Ų | 24.2 | 3% | 0.026 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -63.7 | -27 | 172.7 | -68.6 | 170.8 | 0 | 0 | 0 | 112.5 | V72 G78 H120 I121 M124 F130 I214 Q216 | V72-L76 HydrophobicContact CG1-CD1 4.25Å; V72-L76 WeakPolarHBondContact O-CG 3.42Å; V72-L76 PolarHBondContact O-N 3.32Å; V72-L76 VanDerWaalsContact O-N 3.11Å; L76-G78 PolarHBondContact O-N 3.24Å; L76-H120 HydrophobicContact CD1-CB 3.41Å; L76-H120 VanDerWaalsContact CD1-CB 3.41Å; L76-I121 HydrophobicContact CD2-CD1 4.05Å; L76-I121 HydrophobicContact CD2-CG1 3.91Å; L76-M124 HydrophobicContact CB-CE 4.22Å; L76-M124 HydrophobicContact CD1-CE 4.18Å; L76-F130 HydrophobicContact CD2-CE1 4.4Å; L76-I214 HydrophobicContact CD2-CD1 3.79Å; L76-I214 HydrophobicContact CD2-CG2 4.36Å; L76-Q216 PolarHBondContact O-OE1 3.38Å; L76-Q216 VanDerWaalsContact O-OE1 3.11Å |
| 77 | S | 90.5 | Very high | 93.4 | Very high | 49 Ų | 49 | 22.8 Ų | 22.8 | 34% | 0.343 | 11% | 0.111 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | 8.1 | 174.7 | -54.3 | 0 | 0 | 0 | 0 | 113.7 | K73 D74 V75 | K73-S77 WeakPolarHBondContact O-CB 3.38Å; K73-S77 PolarHBondContact O-N 3.24Å; K73-S77 PolarHBondContact O-OG 3.39Å; D74-S77 CarbonylContact O-C 3.59Å; D74-S77 WeakPolarHBondContact O-CA 3.47Å; D74-S77 WeakPolarHBondContact O-CB 3.41Å; D74-S77 PolarHBondContact O-N 3.02Å; V75-S77 PolarHBondContact O-N 2.92Å |
| 78 | G | 92 | Very high | 93.3 | Very high | 1 Ų | 1 | 23.4 Ų | 23.4 | 1% | 0.01 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84.6 | 15.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | D74 V75 L76 S226 N335 | D74-G78 PolarHBondContact O-N 2.98Å; V75-G78 PolarHBondContact O-N 3.16Å; V75-G78 VanDerWaalsContact O-N 3.08Å; L76-G78 PolarHBondContact O-N 3.24Å; G78-S226 CarbonylContact C-O 3.54Å; G78-N335 PolarHBondContact O-N 3.48Å; G78-N335 PolarHBondContact O-ND2 2.92Å |
| 79 | Y | 93.8 | Very high | 93.1 | Very high | 55 Ų | 55 | 24.8 Ų | 24.8 | 22% | 0.216 | 12% | 0.121 | C | C | . | . | trans | -86.4 | 153.8 | 168.5 | -64.1 | -73.3 | 0 | 0 | 0 | 111.3 | D74 V75 G227 V332 V334 | D74-Y79 HydrophobicContact CB-CD2 3.92Å; D74-Y79 HydrophobicContact CB-CG 4.48Å; D74-Y79 WeakPolarHBondContact O-CB 3.43Å; D74-Y79 WeakPolarHBondContact O-CD2 3.44Å; D74-Y79 PolarHBondContact O-N 2.92Å; V75-Y79 WeakPolarHBondContact CA-O 3.16Å; Y79-G227 VanDerWaalsContact O-CA 3.28Å; Y79-G227 WeakPolarHBondContact O-CA 3.36Å; Y79-V332 HydrophobicContact CD1-CG1 3.36Å; Y79-V332 HydrophobicContact CE1-CG1 3.71Å; Y79-V332 HydrophobicContact CG-CG1 4.19Å; Y79-V334 HydrophobicContact CD1-CG2 3.98Å; Y79-V334 HydrophobicContact CE1-CB 4.34Å; Y79-V334 HydrophobicContact CE1-CG2 3.36Å; Y79-V334 HydrophobicContact CE2-CG2 3.99Å | ||
| 80 | N | 94.7 | Very high | 92.8 | Very high | 4 Ų | 4 | 24 Ų | 24 | 2% | 0.021 | 13% | 0.13 | C | C | . | . | trans | -78.9 | 142.9 | 163.2 | -63 | -38 | 0 | 0 | 0 | 110.1 | K228 E291 N296 A297 R298 N335 | N80-K228 CarbonylContact C-O 3.49Å; N80-K228 VanDerWaalsContact CA-O 3.31Å; N80-K228 WeakPolarHBondContact CA-O 3.48Å; N80-K228 WeakPolarHBondContact OD1-CB 3.38Å; N80-K228 PolarHBondContact OD1-N 3.31Å; N80-E291 PolarHBondContact ND2-OE1 2.8Å; N80-N296 VanDerWaalsContact CB-O 3.32Å; N80-N296 WeakPolarHBondContact CB-O 3.5Å; N80-N296 PolarHBondContact ND2-O 2.86Å; N80-A297 HydrophobicContact CB-CB 3.79Å; N80-A297 CarbonylContact O-C 3.6Å; N80-A297 WeakPolarHBondContact O-CA 3.4Å; N80-R298 PolarHBondContact O-N 3.45Å; N80-N335 PolarHBondContact ND2-ND2 2.77Å; N80-N335 PolarHBondContact OD1-ND2 2.85Å | ||
| 81 | G | 95.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 151.5 | 175 | 0 | 0 | 0 | 0 | 0 | 111.8 | K228 L229 Y230 R298 | G81-K228 PolarHBondContact N-O 3.41Å; G81-L229 WeakPolarHBondContact O-CA 3.34Å; G81-Y230 PolarHBondContact O-N 3.03Å; G81-R298 CarbonylContact C-O 3.6Å; G81-R298 WeakPolarHBondContact CA-O 3.39Å |
| 82 | T | 96.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 134.4 | 169.7 | -57.2 | 0 | 0 | 0 | 0 | 110.9 | F84 Y230 S292 R298 T299 T300 | T82-F84 HydrophobicContact CG2-CD1 4.36Å; T82-F84 HydrophobicContact CG2-CD2 3.85Å; T82-F84 HydrophobicContact CG2-CE1 3.84Å; T82-F84 HydrophobicContact CG2-CE2 3.36Å; T82-F84 HydrophobicContact CG2-CG 4.36Å; T82-F84 HydrophobicContact CG2-CZ 3.35Å; T82-Y230 CarbonylContact C-O 3.55Å; T82-Y230 WeakPolarHBondContact CA-O 3.37Å; T82-S292 WeakPolarHBondContact OG1-CB 3.38Å; T82-S292 PolarHBondContact OG1-OG 3.08Å; T82-R298 PolarHBondContact N-O 3.03Å; T82-T299 WeakPolarHBondContact O-CA 3.26Å; T82-T300 PolarHBondContact O-N 3.18Å |
| 83 | I | 97.2 | Very high | 93 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 121.6 | 173.9 | -56.5 | 173.5 | 0 | 0 | 0 | 108.9 | A68 I71 M97 I109 I113 Y230 L231 V232 T300 | A68-I83 HydrophobicContact CB-CD1 3.64Å; I71-I83 HydrophobicContact CD1-CD1 4.21Å; I71-I83 HydrophobicContact CD1-CG1 3.76Å; I83-M97 HydrophobicContact CG2-CE 4.28Å; I83-M97 HydrophobicContact CG2-SD 4.16Å; I83-I109 HydrophobicContact CD1-CG2 4.12Å; I83-I109 HydrophobicContact CG2-CD1 4.41Å; I83-I113 HydrophobicContact CD1-CD1 3.52Å; I83-Y230 PolarHBondContact N-O 2.96Å; I83-L231 HydrophobicContact CB-CD2 4.04Å; I83-L231 HydrophobicContact CD1-CD2 3.96Å; I83-L231 HydrophobicContact CG1-CD2 4.3Å; I83-V232 PolarHBondContact O-N 3.37Å; I83-T300 WeakPolarHBondContact CA-O 3.45Å |
| 84 | F | 91.3 | Very high | 93.2 | Very high | 6 Ų | 6 | 18.4 Ų | 18.4 | 3% | 0.026 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 139.4 | 177.4 | -64 | -73.7 | 0 | 0 | 0 | 111.6 | T82 V232 L234 L289 L293 T299 T300 I301 V302 | T82-F84 HydrophobicContact CG2-CD1 4.36Å; T82-F84 HydrophobicContact CG2-CD2 3.85Å; T82-F84 HydrophobicContact CG2-CE1 3.84Å; T82-F84 HydrophobicContact CG2-CE2 3.36Å; T82-F84 HydrophobicContact CG2-CG 4.36Å; T82-F84 HydrophobicContact CG2-CZ 3.35Å; F84-V232 CarbonylContact C-O 3.52Å; F84-V232 HydrophobicContact CD1-CB 3.7Å; F84-V232 HydrophobicContact CD1-CG1 3.92Å; F84-V232 HydrophobicContact CD1-CG2 4.14Å; F84-V232 HydrophobicContact CE1-CB 4.04Å; F84-V232 HydrophobicContact CE1-CG1 4.17Å; F84-V232 HydrophobicContact CE1-CG2 3.99Å; F84-L234 HydrophobicContact CD1-CD1 4.43Å; F84-L289 HydrophobicContact CD1-CD1 4.42Å; F84-L289 HydrophobicContact CE1-CD1 3.34Å; F84-L289 HydrophobicContact CE1-CD2 3.5Å; F84-L289 VanDerWaalsContact CE1-CD2 3.5Å; F84-L289 HydrophobicContact CE1-CG 3.93Å; F84-L289 HydrophobicContact CZ-CB 4.25Å; F84-L289 HydrophobicContact CZ-CD1 3.73Å; F84-L289 HydrophobicContact CZ-CD2 3.69Å; F84-L289 HydrophobicContact CZ-CG 4.06Å; F84-L293 HydrophobicContact CE2-CD2 4.12Å; F84-T299 HydrophobicContact CD2-CG2 3.79Å; F84-T299 HydrophobicContact CE2-CG2 3.52Å; F84-T300 PolarHBondContact N-O 2.93Å; F84-I301 HydrophobicContact CB-CB 4.44Å; F84-I301 HydrophobicContact CB-CG1 4.14Å; F84-I301 HydrophobicContact CB-CG2 4.33Å; F84-I301 HydrophobicContact CD2-CD1 4.5Å; F84-I301 HydrophobicContact CD2-CG1 3.64Å; F84-I301 HydrophobicContact CG-CG1 4.27Å; F84-V302 PolarHBondContact O-N 2.76Å |
| 85 | A | 96.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 127 | 156 | 0 | 0 | 0 | 0 | 0 | 110.1 | K93 M97 V232 L234 V302 | A85-K93 HydrophobicContact CB-CB 3.81Å; A85-K93 HydrophobicContact CB-CG 4.31Å; A85-M97 HydrophobicContact CB-CG 3.56Å; A85-M97 HydrophobicContact CB-SD 3.96Å; A85-V232 PolarHBondContact N-O 3.37Å; A85-L234 WeakPolarHBondContact O-CB 3.4Å; A85-L234 PolarHBondContact O-N 3.2Å; A85-V302 WeakPolarHBondContact CA-O 3.4Å |
| 86 | Y | 96 | Very high | 93.4 | Very high | 22 Ų | 22 | 21.1 Ų | 21.1 | 9% | 0.086 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 145.4 | -177 | 178.2 | -98.3 | 0 | 0 | 0 | 112.2 | L234 S237 L260 V302 I303 C304 T318 F321 | Y86-L234 HydrophobicContact CD2-CD1 3.78Å; Y86-L234 HydrophobicContact CG-CD1 4.43Å; Y86-S237 WeakPolarHBondContact OH-CB 3.4Å; Y86-L260 HydrophobicContact CE2-CD2 4.16Å; Y86-V302 PolarHBondContact N-O 3.14Å; Y86-I303 HydrophobicContact CD1-CG2 4.29Å; Y86-I303 CarbonylContact O-C 3.34Å; Y86-I303 WeakPolarHBondContact O-CA 3.25Å; Y86-C304 PolarHBondContact O-N 3.27Å; Y86-T318 HydrophobicContact CD1-CG2 4.07Å; Y86-T318 HydrophobicContact CE1-CG2 4.23Å; Y86-F321 HydrophobicContact CD1-CB 4.36Å; Y86-F321 AromaticContact CD1-CD1 3.4Å; Y86-F321 HydrophobicContact CD1-CD1 3.4Å; Y86-F321 VanDerWaalsContact CD1-CD1 3.4Å; Y86-F321 AromaticContact CD1-CE1 3.8Å; Y86-F321 HydrophobicContact CD1-CE1 3.8Å; Y86-F321 AromaticContact CD1-CG 3.94Å; Y86-F321 HydrophobicContact CD1-CG 3.94Å; Y86-F321 HydrophobicContact CD2-CE1 4.32Å; Y86-F321 HydrophobicContact CD2-CZ 4.49Å; Y86-F321 HydrophobicContact CE1-CB 3.68Å; Y86-F321 AromaticContact CE1-CD1 3.48Å; Y86-F321 HydrophobicContact CE1-CD1 3.48Å; Y86-F321 VanDerWaalsContact CE1-CD1 3.48Å; Y86-F321 HydrophobicContact CE1-CD2 4.12Å; Y86-F321 HydrophobicContact CE1-CE1 4.12Å; Y86-F321 AromaticContact CE1-CG 3.49Å; Y86-F321 HydrophobicContact CE1-CG 3.49Å; Y86-F321 VanDerWaalsContact CE1-CG 3.49Å; Y86-F321 HydrophobicContact CG-CD1 4.01Å; Y86-F321 AromaticContact CG-CE1 3.9Å; Y86-F321 HydrophobicContact CG-CE1 3.9Å; Y86-F321 AromaticContact CZ-CG 3.9Å |
| 87 | G | 94.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 12% | 0.119 | C | C | . | . | S | Bend | trans | 140.2 | 176.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | K93 S237 | G87-K93 WeakPolarHBondContact O-CD 3.39Å; G87-K93 WeakPolarHBondContact O-CE 3.36Å; G87-K93 PolarHBondContact O-NZ 2.97Å; G87-S237 WeakPolarHBondContact CA-OG 3.35Å; G87-S237 PolarHBondContact O-N 3.19Å; G87-S237 VanDerWaalsContact O-N 3.15Å |
| 88 | Q | 92.2 | Very high | 93.7 | Very high | 14 Ų | 14 | 19.8 Ų | 19.8 | 7% | 0.065 | 11% | 0.108 | C | C | . | . | S | Bend | trans | -61.8 | 162.7 | -176.9 | 65.4 | 171.4 | 100.7 | 0 | 0 | 113.4 | S91 K93 S237 E238 N311 E314 | Q88-S91 VanDerWaalsContact O-CB 3.28Å; Q88-S91 WeakPolarHBondContact O-CB 3.5Å; Q88-S91 PolarHBondContact O-N 2.9Å; Q88-S91 PolarHBondContact O-OG 3.47Å; Q88-K93 PolarHBondContact O-NZ 3.01Å; Q88-S237 PolarHBondContact N-OG 3.5Å; Q88-E238 WeakPolarHBondContact CA-OE2 3.38Å; Q88-E238 HydrophobicContact CB-CB 4.32Å; Q88-N311 VanDerWaalsContact NE2-CG 3.27Å; Q88-N311 PolarHBondContact NE2-OD1 3.25Å; Q88-N311 VanDerWaalsContact OE1-CB 3.28Å; Q88-E314 HydrophobicContact CB-CB 4.25Å |
| 89 | T | 89.7 | Confident | 93.7 | Very high | 28 Ų | 28 | 20.4 Ų | 20.4 | 17% | 0.172 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | 141.2 | 167.1 | -64.1 | 0 | 0 | 0 | 0 | 110.6 | S91 G236 E238 | T89-S91 PolarHBondContact O-N 2.88Å; T89-G236 WeakPolarHBondContact OG1-CA 3.48Å; T89-E238 WeakPolarHBondContact CB-OE1 3.45Å; T89-E238 PolarHBondContact N-OE2 2.8Å; T89-E238 PolarHBondContact OG1-OE1 3.27Å; T89-E238 PolarHBondContact OG1-OE2 2.88Å |
| 90 | S | 88.2 | Confident | 93.4 | Very high | 77 Ų | 77 | 22.3 Ų | 22.3 | 54% | 0.538 | 13% | 0.128 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.4 | 29.3 | -176.2 | -55.3 | 0 | 0 | 0 | 0 | 115 | R16 | R16-S90 VanDerWaalsContact CZ-O 3.27Å; R16-S90 PolarHBondContact NE-O 3.05Å; R16-S90 PolarHBondContact NH2-O 3.07Å |
| 91 | S | 92.5 | Very high | 92.7 | Very high | 2 Ų | 2 | 23.4 Ų | 23.4 | 1% | 0.014 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -87.1 | -9.3 | 168.4 | 59.9 | 0 | 0 | 0 | 0 | 114.4 | Q88 T89 C304 | Q88-S91 VanDerWaalsContact O-CB 3.28Å; Q88-S91 WeakPolarHBondContact O-CB 3.5Å; Q88-S91 PolarHBondContact O-N 2.9Å; Q88-S91 PolarHBondContact O-OG 3.47Å; T89-S91 PolarHBondContact O-N 2.88Å; S91-C304 VanDerWaalsContact CB-O 3.26Å; S91-C304 WeakPolarHBondContact CB-O 3.29Å; S91-C304 WeakPolarHBondContact OG-CB 3.35Å; S91-C304 PolarHBondContact OG-O 2.94Å |
| 92 | G | 92.6 | Very high | 92 | Very high | 16 Ų | 16 | 27.4 Ų | 27.4 | 17% | 0.165 | 17% | 0.174 | C | C | . | . | S | Bend | trans | 102.6 | 17.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | T96 | G92-T96 WeakPolarHBondContact O-CB 3.33Å; G92-T96 PolarHBondContact O-N 2.84Å; G92-T96 PolarHBondContact O-OG1 2.89Å |
| 93 | K | 94.9 | Very high | 91.6 | Very high | 13 Ų | 13 | 30 Ų | 30 | 6% | 0.057 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -58.7 | -61.3 | 178 | -55.8 | -168.7 | -62.9 | -71.5 | 0 | 113.1 | A85 G87 Q88 F95 T96 M97 D233 L234 C304 | A85-K93 HydrophobicContact CB-CB 3.81Å; A85-K93 HydrophobicContact CB-CG 4.31Å; G87-K93 WeakPolarHBondContact O-CD 3.39Å; G87-K93 WeakPolarHBondContact O-CE 3.36Å; G87-K93 PolarHBondContact O-NZ 2.97Å; Q88-K93 PolarHBondContact O-NZ 3.01Å; K93-F95 VanDerWaalsContact C-N 3.28Å; K93-F95 PolarHBondContact O-N 3.28Å; K93-T96 WeakPolarHBondContact O-CA 3.37Å; K93-T96 WeakPolarHBondContact O-CB 3.38Å; K93-T96 PolarHBondContact O-N 3.44Å; K93-M97 PolarHBondContact O-N 2.97Å; K93-D233 WeakPolarHBondContact CB-OD1 3.41Å; K93-L234 WeakPolarHBondContact CE-O 3.4Å; K93-C304 HydrophobicContact CG-CB 3.89Å |
| 94 | T | 92.5 | Very high | 91.1 | Very high | 64 Ų | 64 | 34.3 Ų | 34.3 | 39% | 0.393 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -60.1 | -37.1 | 177.4 | -39.5 | 0 | 0 | 0 | 0 | 112.2 | T96 M97 E98 G99 D233 | T94-T96 VanDerWaalsContact C-N 3.31Å; T94-T96 PolarHBondContact O-N 3.32Å; T94-M97 PolarHBondContact O-N 2.91Å; T94-E98 HydrophobicContact CG2-CG 4.12Å; T94-E98 WeakPolarHBondContact CG2-OE2 3.36Å; T94-E98 WeakPolarHBondContact O-CA 3.45Å; T94-E98 WeakPolarHBondContact O-CB 3.29Å; T94-E98 PolarHBondContact O-N 3.39Å; T94-G99 PolarHBondContact O-N 3.26Å; T94-D233 WeakPolarHBondContact CA-OD2 3.35Å; T94-D233 VanDerWaalsContact CB-OD2 3.22Å; T94-D233 WeakPolarHBondContact CB-OD2 3.42Å; T94-D233 PolarHBondContact N-OD2 3.1Å; T94-D233 PolarHBondContact OG1-OD2 3.14Å |
| 95 | F | 93.9 | Very high | 91 | Very high | 86 Ų | 86 | 40 Ų | 40 | 38% | 0.377 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -63.1 | -35.8 | 171.4 | 177.7 | -96.6 | 0 | 0 | 0 | 112.5 | Q60 K93 G99 F106 | Q60-F95 HydrophobicContact CG-CE1 4.36Å; Q60-F95 HydrophobicContact CG-CZ 4.25Å; Q60-F95 PolarHBondContact NE2-O 3.13Å; K93-F95 VanDerWaalsContact C-N 3.28Å; K93-F95 PolarHBondContact O-N 3.28Å; F95-G99 WeakPolarHBondContact O-CA 3.43Å; F95-G99 PolarHBondContact O-N 2.96Å; F95-G99 VanDerWaalsContact O-N 3.08Å; F95-F106 HydrophobicContact CE2-CD1 4.06Å; F95-F106 AromaticContact CZ-CD1 3.89Å; F95-F106 HydrophobicContact CZ-CD1 3.89Å; F95-F106 HydrophobicContact CZ-CE1 4.49Å |
| 96 | T | 96.1 | Very high | 90.8 | Very high | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.006 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -74.1 | -41.4 | 177.1 | -58.3 | 0 | 0 | 0 | 0 | 112.1 | R14 V63 G92 K93 T94 I109 V302 | R14-T96 WeakPolarHBondContact CD-OG1 3.43Å; R14-T96 PolarHBondContact NH1-OG1 3.09Å; V63-T96 HydrophobicContact CG1-CG2 4.1Å; G92-T96 WeakPolarHBondContact O-CB 3.33Å; G92-T96 PolarHBondContact O-N 2.84Å; G92-T96 PolarHBondContact O-OG1 2.89Å; K93-T96 WeakPolarHBondContact O-CA 3.37Å; K93-T96 WeakPolarHBondContact O-CB 3.38Å; K93-T96 PolarHBondContact O-N 3.44Å; T94-T96 VanDerWaalsContact C-N 3.31Å; T94-T96 PolarHBondContact O-N 3.32Å; T96-I109 HydrophobicContact CG2-CD1 3.85Å; T96-I109 WeakPolarHBondContact O-CG1 3.32Å; T96-I109 PolarHBondContact O-N 3.44Å; T96-V302 HydrophobicContact CG2-CG1 4.06Å |
| 97 | M | 95.4 | Very high | 90.7 | Very high | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -74.9 | -55.6 | 179.5 | -64.9 | -58.2 | -70.4 | 0 | 0 | 111.7 | I83 A85 K93 T94 G108 I109 I110 L231 D233 | I83-M97 HydrophobicContact CG2-CE 4.28Å; I83-M97 HydrophobicContact CG2-SD 4.16Å; A85-M97 HydrophobicContact CB-CG 3.56Å; A85-M97 HydrophobicContact CB-SD 3.96Å; K93-M97 PolarHBondContact O-N 2.97Å; T94-M97 PolarHBondContact O-N 2.91Å; M97-G108 CarbonylContact O-C 3.57Å; M97-I109 PolarHBondContact O-N 3.3Å; M97-I109 HydrophobicContact SD-CD1 4.44Å; M97-I110 HydrophobicContact CB-CD1 4.06Å; M97-I110 HydrophobicContact CB-CG1 4.35Å; M97-I110 HydrophobicContact CE-CD1 4.28Å; M97-I110 HydrophobicContact CE-CG1 4.2Å; M97-I110 WeakPolarHBondContact O-CB 3.4Å; M97-I110 VanDerWaalsContact O-CG1 3.29Å; M97-I110 WeakPolarHBondContact O-CG1 3.46Å; M97-I110 PolarHBondContact O-N 3.32Å; M97-L231 HydrophobicContact CE-CB 3.97Å; M97-L231 HydrophobicContact CE-CD2 4.29Å; M97-D233 HydrophobicContact CG-CB 4.26Å |
| 98 | E | 92.1 | Very high | 90.7 | Very high | 26 Ų | 26 | 44.9 Ų | 44.9 | 12% | 0.121 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97 | -45.9 | -173.2 | -50.6 | -176.8 | 152.6 | 0 | 0 | 112.1 | T94 G108 I110 K189 | T94-E98 HydrophobicContact CG2-CG 4.12Å; T94-E98 WeakPolarHBondContact CG2-OE2 3.36Å; T94-E98 WeakPolarHBondContact O-CA 3.45Å; T94-E98 WeakPolarHBondContact O-CB 3.29Å; T94-E98 PolarHBondContact O-N 3.39Å; E98-G108 WeakPolarHBondContact O-CA 3.28Å; E98-G108 PolarHBondContact O-N 3.29Å; E98-I110 HydrophobicContact CG-CD1 4.32Å; E98-K189 VanDerWaalsContact OE1-CE 3.27Å; E98-K189 WeakPolarHBondContact OE1-CE 3.38Å; E98-K189 IonicContact OE1-NZ 2.64Å; E98-K189 WeakPolarHBondContact OE2-CE 3.49Å; E98-K189 IonicContact OE2-NZ 3.61Å; E98-K189 PolarHBondContact OE2-NZ 2.84Å |
| 99 | G | 91.2 | Very high | 90.9 | Very high | 14 Ų | 14 | 44.3 Ų | 44.3 | 14% | 0.144 | 27% | 0.267 | C | S | . | . | B | Isolated β-bridge | trans | 63.5 | -152.8 | -171.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | T94 F95 F106 | T94-G99 PolarHBondContact O-N 3.26Å; F95-G99 WeakPolarHBondContact O-CA 3.43Å; F95-G99 PolarHBondContact O-N 2.96Å; F95-G99 VanDerWaalsContact O-N 3.08Å; G99-F106 VanDerWaalsContact CA-O 3.27Å; G99-F106 WeakPolarHBondContact CA-O 3.44Å |
| 100 | L | 87.7 | Confident | 91.2 | Very high | 95 Ų | 95 | 43.6 Ų | 43.6 | 50% | 0.497 | 26% | 0.262 | S | S | . | . | trans | -94.8 | 107.7 | 170.1 | -65.5 | 177.2 | 0 | 0 | 0 | 108.6 | G102 D103 F106 Q107 | L100-G102 VanDerWaalsContact C-N 3.32Å; L100-G102 PolarHBondContact O-N 2.91Å; L100-D103 HydrophobicContact CB-CB 3.85Å; L100-D103 HydrophobicContact CD1-CB 4.44Å; L100-D103 PolarHBondContact O-N 3.49Å; L100-F106 HydrophobicContact CB-CB 3.88Å; L100-F106 HydrophobicContact CD1-CB 3.84Å; L100-F106 HydrophobicContact CD1-CG 4.28Å; L100-F106 HydrophobicContact CG-CB 4.06Å; L100-F106 PolarHBondContact N-O 2.81Å; L100-Q107 WeakPolarHBondContact O-CA 3.48Å; L100-Q107 WeakPolarHBondContact O-CG 3.39Å; L100-Q107 PolarHBondContact O-N 2.81Å | ||
| 101 | I | 80.7 | Confident | 91.5 | Very high | 27 Ų | 27 | 40 Ų | 40 | 14% | 0.138 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -40.6 | -174.8 | -65.6 | 175.7 | 0 | 0 | 0 | 111.6 | D103 Q107 L182 I185 E186 | I101-D103 VanDerWaalsContact C-N 3.25Å; I101-D103 PolarHBondContact O-N 3.3Å; I101-Q107 WeakPolarHBondContact O-CG 3.44Å; I101-Q107 PolarHBondContact O-NE2 3.23Å; I101-L182 HydrophobicContact CG2-CD2 4.31Å; I101-I185 HydrophobicContact CD1-CG2 4.07Å; I101-E186 HydrophobicContact CD1-CG 4.34Å |
| 102 | G | 79.8 | Confident | 91.6 | Very high | 83 Ų | 83 | 41.4 Ų | 41.4 | 86% | 0.856 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | 2.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 116 | L100 | L100-G102 VanDerWaalsContact C-N 3.32Å; L100-G102 PolarHBondContact O-N 2.91Å |
| 103 | D | 87.1 | Confident | 91.8 | Very high | 54 Ų | 54 | 40.7 Ų | 40.7 | 29% | 0.289 | 23% | 0.234 | S | C | . | . | trans | -126.1 | 108.3 | -175.6 | -173.2 | -44.5 | 0 | 0 | 0 | 110.6 | L100 I101 D105 F106 Q107 | L100-D103 HydrophobicContact CB-CB 3.85Å; L100-D103 HydrophobicContact CD1-CB 4.44Å; L100-D103 PolarHBondContact O-N 3.49Å; I101-D103 VanDerWaalsContact C-N 3.25Å; I101-D103 PolarHBondContact O-N 3.3Å; D103-D105 PolarHBondContact O-N 2.81Å; D103-D105 PolarHBondContact OD1-N 3Å; D103-F106 HydrophobicContact CB-CB 4.16Å; D103-F106 CarbonylContact O-C 3.59Å; D103-F106 PolarHBondContact O-N 3.31Å; D103-F106 VanDerWaalsContact O-N 3.08Å; D103-F106 PolarHBondContact OD1-N 2.84Å; D103-F106 WeakPolarHBondContact OD2-CD2 3.49Å; D103-Q107 WeakPolarHBondContact O-CG 3.38Å; D103-Q107 PolarHBondContact O-N 3.01Å | ||
| 104 | P | 87.2 | Confident | 91.7 | Very high | 92 Ų | 92 | 40.2 Ų | 40.2 | 60% | 0.597 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -29.4 | -176.1 | -27.2 | 35.8 | 0 | 0 | 0 | 115.3 | R112 | P104-R112 PolarHBondContact O-NH2 3.48Š|
| 105 | D | 89.9 | Confident | 91.8 | Very high | 124 Ų | 124 | 39.5 Ų | 39.5 | 66% | 0.663 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -34.8 | 179.3 | -66.4 | -22.2 | 0 | 0 | 0 | 110.4 | D103 R112 | D103-D105 PolarHBondContact O-N 2.81Å; D103-D105 PolarHBondContact OD1-N 3Å; D105-R112 PolarHBondContact O-NH2 3.34Å |
| 106 | F | 92.5 | Very high | 91.8 | Very high | 97 Ų | 97 | 36.9 Ų | 36.9 | 43% | 0.425 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | -3 | -175.4 | -69.9 | -74.7 | 0 | 0 | 0 | 115.4 | Q60 F95 G99 L100 D103 G108 | Q60-F106 PolarHBondContact NE2-O 3.46Å; F95-F106 HydrophobicContact CE2-CD1 4.06Å; F95-F106 AromaticContact CZ-CD1 3.89Å; F95-F106 HydrophobicContact CZ-CD1 3.89Å; F95-F106 HydrophobicContact CZ-CE1 4.49Å; G99-F106 VanDerWaalsContact CA-O 3.27Å; G99-F106 WeakPolarHBondContact CA-O 3.44Å; L100-F106 HydrophobicContact CB-CB 3.88Å; L100-F106 HydrophobicContact CD1-CB 3.84Å; L100-F106 HydrophobicContact CD1-CG 4.28Å; L100-F106 HydrophobicContact CG-CB 4.06Å; L100-F106 PolarHBondContact N-O 2.81Å; D103-F106 HydrophobicContact CB-CB 4.16Å; D103-F106 CarbonylContact O-C 3.59Å; D103-F106 PolarHBondContact O-N 3.31Å; D103-F106 VanDerWaalsContact O-N 3.08Å; D103-F106 PolarHBondContact OD1-N 2.84Å; D103-F106 WeakPolarHBondContact OD2-CD2 3.49Å; F106-G108 PolarHBondContact O-N 3.44Å |
| 107 | Q | 93.5 | Very high | 91.8 | Very high | 29 Ų | 29 | 37 Ų | 37 | 14% | 0.136 | 22% | 0.216 | C | C | . | . | B | Isolated β-bridge | trans | -53.8 | 130.3 | 169.3 | -90.6 | -179.3 | 11.5 | 0 | 0 | 111.9 | Q60 L100 I101 D103 P111 R112 | Q60-Q107 WeakPolarHBondContact CB-O 3.43Å; L100-Q107 WeakPolarHBondContact O-CA 3.48Å; L100-Q107 WeakPolarHBondContact O-CG 3.39Å; L100-Q107 PolarHBondContact O-N 2.81Å; I101-Q107 WeakPolarHBondContact O-CG 3.44Å; I101-Q107 PolarHBondContact O-NE2 3.23Å; D103-Q107 WeakPolarHBondContact O-CG 3.38Å; D103-Q107 PolarHBondContact O-N 3.01Å; Q107-P111 HydrophobicContact CB-CB 4.44Å; Q107-P111 HydrophobicContact CB-CG 3.81Å; Q107-P111 HydrophobicContact CG-CB 4.12Å; Q107-P111 HydrophobicContact CG-CG 3.86Å; Q107-R112 PolarHBondContact O-NE 2.98Å; Q107-R112 PolarHBondContact O-NH2 2.83Å; Q107-R112 VanDerWaalsContact O-NH2 3.13Å |
| 108 | G | 95.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 22% | 0.218 | C | C | . | . | trans | -81.9 | -164 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | M97 E98 F106 P111 R112 | M97-G108 CarbonylContact O-C 3.57Å; E98-G108 WeakPolarHBondContact O-CA 3.28Å; E98-G108 PolarHBondContact O-N 3.29Å; F106-G108 PolarHBondContact O-N 3.44Å; G108-P111 WeakPolarHBondContact O-CD 3.37Å; G108-P111 WeakPolarHBondContact O-CG 3.45Å; G108-R112 WeakPolarHBondContact O-CG 3.35Å | ||
| 109 | I | 96.5 | Very high | 91.8 | Very high | 2 Ų | 2 | 40.4 Ų | 40.4 | 1% | 0.01 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.9 | -46.4 | -179.4 | -71.9 | 172.1 | 0 | 0 | 0 | 112.4 | V63 A68 I83 T96 M97 R112 I113 V302 | V63-I109 HydrophobicContact CG1-CD1 4.41Å; A68-I109 HydrophobicContact CB-CD1 4.45Å; A68-I109 HydrophobicContact CB-CG1 4.29Å; A68-I109 HydrophobicContact CB-CG2 3.62Å; I83-I109 HydrophobicContact CD1-CG2 4.12Å; I83-I109 HydrophobicContact CG2-CD1 4.41Å; T96-I109 HydrophobicContact CG2-CD1 3.85Å; T96-I109 WeakPolarHBondContact O-CG1 3.32Å; T96-I109 PolarHBondContact O-N 3.44Å; M97-I109 PolarHBondContact O-N 3.3Å; M97-I109 HydrophobicContact SD-CD1 4.44Å; I109-R112 PolarHBondContact O-N 2.94Å; I109-I113 HydrophobicContact CG2-CD1 3.41Å; I109-I113 VanDerWaalsContact CG2-CD1 3.41Å; I109-I113 HydrophobicContact CG2-CG1 3.97Å; I109-I113 WeakPolarHBondContact O-CB 3.36Å; I109-I113 VanDerWaalsContact O-CG1 3.3Å; I109-I113 WeakPolarHBondContact O-CG1 3.49Å; I109-I113 PolarHBondContact O-N 3.12Å; I109-V302 HydrophobicContact CD1-CG2 4.38Å |
| 110 | I | 95.1 | Very high | 91.8 | Very high | 13 Ų | 13 | 42 Ų | 42 | 7% | 0.067 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.6 | -56.5 | -174 | -61.4 | 178.7 | 0 | 0 | 0 | 112.3 | M97 E98 R112 I113 V114 I185 L231 | M97-I110 HydrophobicContact CB-CD1 4.06Å; M97-I110 HydrophobicContact CB-CG1 4.35Å; M97-I110 HydrophobicContact CE-CD1 4.28Å; M97-I110 HydrophobicContact CE-CG1 4.2Å; M97-I110 WeakPolarHBondContact O-CB 3.4Å; M97-I110 VanDerWaalsContact O-CG1 3.29Å; M97-I110 WeakPolarHBondContact O-CG1 3.46Å; M97-I110 PolarHBondContact O-N 3.32Å; E98-I110 HydrophobicContact CG-CD1 4.32Å; I110-R112 VanDerWaalsContact C-N 3.28Å; I110-R112 PolarHBondContact O-N 3.03Å; I110-I113 PolarHBondContact O-N 2.86Å; I110-V114 WeakPolarHBondContact O-CG2 3.35Å; I110-V114 PolarHBondContact O-N 3.2Å; I110-I185 HydrophobicContact CG2-CD1 3.58Å; I110-L231 HydrophobicContact CD1-CB 4.31Å; I110-L231 HydrophobicContact CG1-CB 4.29Å; I110-L231 HydrophobicContact CG1-CD1 4.15Å; I110-L231 HydrophobicContact CG2-CD1 4.36Å |
| 111 | P | 94.7 | Very high | 91.9 | Very high | 2 Ų | 2 | 38.7 Ų | 38.7 | 1% | 0.013 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.5 | -35.8 | 179.2 | 22.3 | -33.5 | 0 | 0 | 0 | 112.9 | Q107 G108 V114 N115 L182 | Q107-P111 HydrophobicContact CB-CB 4.44Å; Q107-P111 HydrophobicContact CB-CG 3.81Å; Q107-P111 HydrophobicContact CG-CB 4.12Å; Q107-P111 HydrophobicContact CG-CG 3.86Å; G108-P111 WeakPolarHBondContact O-CD 3.37Å; G108-P111 WeakPolarHBondContact O-CG 3.45Å; P111-V114 PolarHBondContact O-N 2.99Å; P111-N115 PolarHBondContact O-N 3.09Å; P111-N115 PolarHBondContact O-ND2 2.9Å; P111-L182 HydrophobicContact CB-CD2 3.95Å |
| 112 | R | 95.3 | Very high | 92.3 | Very high | 31 Ų | 31 | 44.2 Ų | 44.2 | 12% | 0.117 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -68.2 | -43.7 | 177.2 | -65.9 | 177.3 | -168.5 | -83.8 | -7.2 | 112.6 | Y64 P104 D105 Q107 G108 I109 I110 V114 N115 D116 | Y64-R112 HydrophobicContact CD1-CB 3.82Å; Y64-R112 HydrophobicContact CD1-CG 4.37Å; Y64-R112 HydrophobicContact CD2-CB 3.67Å; Y64-R112 HydrophobicContact CE1-CB 3.86Å; Y64-R112 HydrophobicContact CE2-CB 3.78Å; Y64-R112 HydrophobicContact CG-CB 3.72Å; Y64-R112 HydrophobicContact CG-CG 4.3Å; P104-R112 PolarHBondContact O-NH2 3.48Å; D105-R112 PolarHBondContact O-NH2 3.34Å; Q107-R112 PolarHBondContact O-NE 2.98Å; Q107-R112 PolarHBondContact O-NH2 2.83Å; Q107-R112 VanDerWaalsContact O-NH2 3.13Å; G108-R112 WeakPolarHBondContact O-CG 3.35Å; I109-R112 PolarHBondContact O-N 2.94Å; I110-R112 VanDerWaalsContact C-N 3.28Å; I110-R112 PolarHBondContact O-N 3.03Å; R112-V114 VanDerWaalsContact C-N 3.31Å; R112-V114 PolarHBondContact O-N 3.08Å; R112-N115 PolarHBondContact O-N 3.39Å; R112-D116 PolarHBondContact O-N 3.16Å |
| 113 | I | 95.6 | Very high | 92.8 | Very high | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -56 | -46.9 | 172.1 | -77.6 | -179.6 | 0 | 0 | 0 | 110.9 | Y64 A68 V72 I83 I109 I110 D116 I117 I212 L229 L231 | Y64-I113 HydrophobicContact CD2-CG1 4.42Å; Y64-I113 HydrophobicContact CE2-CG1 3.64Å; A68-I113 HydrophobicContact CB-CD1 4.13Å; A68-I113 HydrophobicContact CB-CG1 4.33Å; V72-I113 HydrophobicContact CG2-CB 4.48Å; V72-I113 HydrophobicContact CG2-CG1 4.07Å; V72-I113 HydrophobicContact CG2-CG2 4.39Å; I83-I113 HydrophobicContact CD1-CD1 3.52Å; I109-I113 HydrophobicContact CG2-CD1 3.41Å; I109-I113 VanDerWaalsContact CG2-CD1 3.41Å; I109-I113 HydrophobicContact CG2-CG1 3.97Å; I109-I113 WeakPolarHBondContact O-CB 3.36Å; I109-I113 VanDerWaalsContact O-CG1 3.3Å; I109-I113 WeakPolarHBondContact O-CG1 3.49Å; I109-I113 PolarHBondContact O-N 3.12Å; I110-I113 PolarHBondContact O-N 2.86Å; I113-D116 PolarHBondContact O-N 2.92Å; I113-I117 HydrophobicContact CG2-CD1 3.47Å; I113-I117 VanDerWaalsContact CG2-CD1 3.47Å; I113-I117 HydrophobicContact CG2-CG1 4.22Å; I113-I117 WeakPolarHBondContact O-CB 3.47Å; I113-I117 VanDerWaalsContact O-CG1 3.23Å; I113-I117 WeakPolarHBondContact O-CG1 3.34Å; I113-I117 PolarHBondContact O-N 3.28Å; I113-I212 HydrophobicContact CG2-CD1 4.37Å; I113-L229 HydrophobicContact CD1-CD2 4.31Å; I113-L229 HydrophobicContact CG2-CD2 3.64Å; I113-L231 HydrophobicContact CD1-CD1 4.48Å; I113-L231 HydrophobicContact CD1-CD2 3.56Å; I113-L231 HydrophobicContact CG2-CD1 4.47Å |
| 114 | V | 94.8 | Very high | 92.8 | Very high | 2 Ų | 2 | 45.3 Ų | 45.3 | 1% | 0.012 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.4 | -50.2 | -178.2 | 169.4 | 0 | 0 | 0 | 0 | 110.1 | I110 P111 R112 D116 I117 F118 P178 V181 I212 | I110-V114 WeakPolarHBondContact O-CG2 3.35Å; I110-V114 PolarHBondContact O-N 3.2Å; P111-V114 PolarHBondContact O-N 2.99Å; R112-V114 VanDerWaalsContact C-N 3.31Å; R112-V114 PolarHBondContact O-N 3.08Å; V114-D116 PolarHBondContact O-N 3.37Å; V114-I117 PolarHBondContact O-N 3.47Å; V114-F118 HydrophobicContact CG1-CD2 4.1Å; V114-F118 HydrophobicContact CG1-CE2 4.17Å; V114-F118 VanDerWaalsContact O-CD2 3.32Å; V114-F118 WeakPolarHBondContact O-CD2 3.39Å; V114-F118 PolarHBondContact O-N 3.03Å; V114-F118 VanDerWaalsContact O-N 3.16Å; V114-P178 HydrophobicContact CG1-CB 4.03Å; V114-V181 HydrophobicContact CB-CG1 4.44Å; V114-V181 HydrophobicContact CG1-CB 3.78Å; V114-V181 HydrophobicContact CG1-CG1 3.92Å; V114-V181 HydrophobicContact CG1-CG2 4.19Å; V114-V181 HydrophobicContact CG2-CB 4.39Å; V114-V181 HydrophobicContact CG2-CG1 3.59Å; V114-I212 HydrophobicContact CG2-CD1 4.2Å |
| 115 | N | 93.8 | Very high | 92.7 | Very high | 49 Ų | 49 | 47.1 Ų | 47.1 | 26% | 0.262 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -57.5 | -46.8 | 176.6 | -70.5 | -22.8 | 0 | 0 | 0 | 111.8 | P111 R112 F118 N119 P178 | P111-N115 PolarHBondContact O-N 3.09Å; P111-N115 PolarHBondContact O-ND2 2.9Å; R112-N115 PolarHBondContact O-N 3.39Å; N115-F118 PolarHBondContact O-N 2.93Å; N115-N119 VanDerWaalsContact O-CB 3.3Å; N115-N119 WeakPolarHBondContact O-CB 3.37Å; N115-N119 PolarHBondContact O-N 3.47Å; N115-N119 PolarHBondContact O-ND2 3.08Å; N115-N119 VanDerWaalsContact O-ND2 3.15Å; N115-P178 WeakPolarHBondContact OD1-CB 3.35Å |
| 116 | D | 94.5 | Very high | 92.3 | Very high | 32 Ų | 32 | 51.1 Ų | 51.1 | 17% | 0.171 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -70.5 | -33 | -179 | -79.2 | -5.3 | 0 | 0 | 0 | 113.8 | Y64 Y69 V72 R112 I113 V114 H120 | Y64-D116 VanDerWaalsContact CE1-OD2 3.22Å; Y64-D116 WeakPolarHBondContact CE1-OD2 3.4Å; Y64-D116 VanDerWaalsContact CZ-OD2 3.28Å; Y64-D116 WeakPolarHBondContact OH-CB 3.42Å; Y64-D116 VanDerWaalsContact OH-CG 3.3Å; Y64-D116 PolarHBondContact OH-OD2 3.38Å; Y69-D116 VanDerWaalsContact CD2-OD2 3.28Å; Y69-D116 WeakPolarHBondContact CD2-OD2 3.23Å; Y69-D116 WeakPolarHBondContact CE2-OD2 3.39Å; V72-D116 HydrophobicContact CG1-CB 4.26Å; R112-D116 PolarHBondContact O-N 3.16Å; I113-D116 PolarHBondContact O-N 2.92Å; V114-D116 PolarHBondContact O-N 3.37Å; D116-H120 VanDerWaalsContact O-CB 3.28Å; D116-H120 WeakPolarHBondContact O-CB 3.31Å; D116-H120 PolarHBondContact O-CD2 3.22Å; D116-H120 PolarHBondContact O-N 3.17Å |
| 117 | I | 94.7 | Very high | 92 | Very high | 3 Ų | 3 | 48 Ų | 48 | 2% | 0.015 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -57.7 | -52.4 | 171.2 | -76.3 | 166 | 0 | 0 | 0 | 109.7 | V72 I113 V114 H120 I121 I132 I212 I214 L229 | V72-I117 HydrophobicContact CG1-CG1 3.85Å; I113-I117 HydrophobicContact CG2-CD1 3.47Å; I113-I117 VanDerWaalsContact CG2-CD1 3.47Å; I113-I117 HydrophobicContact CG2-CG1 4.22Å; I113-I117 WeakPolarHBondContact O-CB 3.47Å; I113-I117 VanDerWaalsContact O-CG1 3.23Å; I113-I117 WeakPolarHBondContact O-CG1 3.34Å; I113-I117 PolarHBondContact O-N 3.28Å; V114-I117 PolarHBondContact O-N 3.47Å; I117-H120 PolarHBondContact O-N 3.14Å; I117-I121 HydrophobicContact CG2-CD1 3.86Å; I117-I121 VanDerWaalsContact O-CG1 3.29Å; I117-I121 WeakPolarHBondContact O-CG1 3.46Å; I117-I121 PolarHBondContact O-N 3.44Å; I117-I132 HydrophobicContact CG2-CD1 4.29Å; I117-I212 HydrophobicContact CD1-CD1 4.05Å; I117-I214 HydrophobicContact CD1-CD1 4.14Å; I117-I214 HydrophobicContact CG1-CD1 4.25Å; I117-I214 HydrophobicContact CG2-CD1 3.66Å; I117-L229 HydrophobicContact CD1-CD2 4.24Å |
| 118 | F | 94.4 | Very high | 91.7 | Very high | 8 Ų | 8 | 47.9 Ų | 47.9 | 4% | 0.035 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -68.2 | -42.9 | -179.3 | -80.2 | -76.1 | 0 | 0 | 0 | 112 | V114 N115 H120 I121 Y122 I132 S176 S177 P178 V181 | V114-F118 HydrophobicContact CG1-CD2 4.1Å; V114-F118 HydrophobicContact CG1-CE2 4.17Å; V114-F118 VanDerWaalsContact O-CD2 3.32Å; V114-F118 WeakPolarHBondContact O-CD2 3.39Å; V114-F118 PolarHBondContact O-N 3.03Å; V114-F118 VanDerWaalsContact O-N 3.16Å; N115-F118 PolarHBondContact O-N 2.93Å; F118-H120 VanDerWaalsContact C-N 3.31Å; F118-H120 PolarHBondContact O-N 2.94Å; F118-I121 PolarHBondContact O-N 3.34Å; F118-I121 VanDerWaalsContact O-N 3.14Å; F118-Y122 HydrophobicContact CB-CE2 3.89Å; F118-Y122 HydrophobicContact CD1-CE1 4.36Å; F118-Y122 WeakPolarHBondContact O-CD2 3.48Å; F118-Y122 PolarHBondContact O-N 3.36Å; F118-I132 HydrophobicContact CD1-CD1 4.28Å; F118-I132 HydrophobicContact CE1-CD1 3.62Å; F118-I132 HydrophobicContact CE2-CD1 4.33Å; F118-I132 HydrophobicContact CZ-CD1 3.65Å; F118-S176 WeakPolarHBondContact CE1-O 3.32Å; F118-S177 VanDerWaalsContact CE2-C 3.49Å; F118-S177 WeakPolarHBondContact CE2-O 3.44Å; F118-S177 VanDerWaalsContact CZ-C 3.44Å; F118-S177 WeakPolarHBondContact CZ-O 3.35Å; F118-P178 HydrophobicContact CB-CG 3.78Å; F118-P178 HydrophobicContact CD2-CB 4.16Å; F118-P178 HydrophobicContact CD2-CG 3.67Å; F118-P178 HydrophobicContact CE2-CG 4.44Å; F118-P178 HydrophobicContact CG-CG 3.81Å; F118-V181 HydrophobicContact CE2-CG2 3.86Å; F118-V181 HydrophobicContact CZ-CG2 4.3Å |
| 119 | N | 92.9 | Very high | 91.5 | Very high | 90 Ų | 90 | 52.9 Ų | 52.9 | 48% | 0.481 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -58.1 | -41.9 | 175.2 | -71.7 | -26.8 | 0 | 0 | 0 | 112.1 | N115 Y122 S123 | N115-N119 VanDerWaalsContact O-CB 3.3Å; N115-N119 WeakPolarHBondContact O-CB 3.37Å; N115-N119 PolarHBondContact O-N 3.47Å; N115-N119 PolarHBondContact O-ND2 3.08Å; N115-N119 VanDerWaalsContact O-ND2 3.15Å; N119-Y122 PolarHBondContact O-N 2.92Å; N119-S123 PolarHBondContact O-N 2.95Å |
| 120 | H | 91.3 | Very high | 91.3 | Very high | 48 Ų | 48 | 54.9 Ų | 54.9 | 22% | 0.222 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66 | -43.3 | 174.8 | -83.2 | -56 | 0 | 0 | 0 | 111.9 | L76 D116 I117 F118 Y122 S123 M124 | L76-H120 HydrophobicContact CD1-CB 3.41Å; L76-H120 VanDerWaalsContact CD1-CB 3.41Å; D116-H120 VanDerWaalsContact O-CB 3.28Å; D116-H120 WeakPolarHBondContact O-CB 3.31Å; D116-H120 PolarHBondContact O-CD2 3.22Å; D116-H120 PolarHBondContact O-N 3.17Å; I117-H120 PolarHBondContact O-N 3.14Å; F118-H120 VanDerWaalsContact C-N 3.31Å; F118-H120 PolarHBondContact O-N 2.94Å; H120-Y122 VanDerWaalsContact C-N 3.35Å; H120-Y122 PolarHBondContact O-N 2.79Å; H120-S123 WeakPolarHBondContact CA-OG 3.42Å; H120-S123 CarbonylContact O-C 3.51Å; H120-S123 WeakPolarHBondContact O-CA 3.31Å; H120-S123 PolarHBondContact O-N 2.71Å; H120-S123 PolarHBondContact O-OG 3.3Å; H120-M124 WeakPolarHBondContact O-CG 3.37Å; H120-M124 PolarHBondContact O-N 3.06Å |
| 121 | I | 90.1 | Very high | 91.2 | Very high | 25 Ų | 25 | 58.3 Ų | 58.3 | 13% | 0.128 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.3 | -43 | 175.7 | -72.6 | 168 | 0 | 0 | 0 | 111.3 | L76 I117 F118 S123 M124 F130 I132 | L76-I121 HydrophobicContact CD2-CD1 4.05Å; L76-I121 HydrophobicContact CD2-CG1 3.91Å; I117-I121 HydrophobicContact CG2-CD1 3.86Å; I117-I121 VanDerWaalsContact O-CG1 3.29Å; I117-I121 WeakPolarHBondContact O-CG1 3.46Å; I117-I121 PolarHBondContact O-N 3.44Å; F118-I121 PolarHBondContact O-N 3.34Å; F118-I121 VanDerWaalsContact O-N 3.14Å; I121-S123 PolarHBondContact O-N 2.88Å; I121-M124 PolarHBondContact O-N 3.44Å; I121-M124 VanDerWaalsContact O-N 3.15Å; I121-F130 HydrophobicContact CB-CD2 4.45Å; I121-F130 HydrophobicContact CD1-CB 4.23Å; I121-F130 HydrophobicContact CD1-CD1 3.85Å; I121-F130 HydrophobicContact CD1-CE1 4.39Å; I121-F130 HydrophobicContact CD1-CG 3.97Å; I121-F130 HydrophobicContact CG1-CD1 3.89Å; I121-F130 HydrophobicContact CG1-CD2 4.19Å; I121-F130 HydrophobicContact CG1-CE1 3.97Å; I121-F130 HydrophobicContact CG1-CE2 4.26Å; I121-F130 HydrophobicContact CG1-CG 4Å; I121-F130 HydrophobicContact CG1-CZ 4.17Å; I121-F130 HydrophobicContact CG2-CB 4.39Å; I121-F130 HydrophobicContact CG2-CD2 3.6Å; I121-F130 HydrophobicContact CG2-CE2 4.01Å; I121-F130 HydrophobicContact CG2-CG 3.98Å; I121-I132 HydrophobicContact CD1-CD1 3.7Å; I121-I132 HydrophobicContact CD1-CG1 4.4Å |
| 122 | Y | 90.3 | Very high | 91.2 | Very high | 143 Ų | 143 | 58.7 Ų | 58.7 | 56% | 0.561 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -66 | -15.3 | 175.2 | -56.4 | -33.1 | 0 | 0 | 0 | 113.8 | F118 N119 H120 | F118-Y122 HydrophobicContact CB-CE2 3.89Å; F118-Y122 HydrophobicContact CD1-CE1 4.36Å; F118-Y122 WeakPolarHBondContact O-CD2 3.48Å; F118-Y122 PolarHBondContact O-N 3.36Å; N119-Y122 PolarHBondContact O-N 2.92Å; H120-Y122 VanDerWaalsContact C-N 3.35Å; H120-Y122 PolarHBondContact O-N 2.79Å |
| 123 | S | 89.2 | Confident | 91.3 | Very high | 90 Ų | 90 | 59.3 Ų | 59.3 | 63% | 0.629 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.7 | -1.2 | 176.3 | 74 | 0 | 0 | 0 | 0 | 114.3 | N119 H120 I121 | N119-S123 PolarHBondContact O-N 2.95Å; H120-S123 WeakPolarHBondContact CA-OG 3.42Å; H120-S123 CarbonylContact O-C 3.51Å; H120-S123 WeakPolarHBondContact O-CA 3.31Å; H120-S123 PolarHBondContact O-N 2.71Å; H120-S123 PolarHBondContact O-OG 3.3Å; I121-S123 PolarHBondContact O-N 2.88Å |
| 124 | M | 88.3 | Confident | 91.3 | Very high | 70 Ų | 70 | 59.3 Ų | 59.3 | 35% | 0.345 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -91.3 | 170.2 | -178.8 | -79.9 | 176.3 | 180 | 0 | 0 | 112.5 | L76 H120 I121 L128 F130 | L76-M124 HydrophobicContact CB-CE 4.22Å; L76-M124 HydrophobicContact CD1-CE 4.18Å; H120-M124 WeakPolarHBondContact O-CG 3.37Å; H120-M124 PolarHBondContact O-N 3.06Å; I121-M124 PolarHBondContact O-N 3.44Å; I121-M124 VanDerWaalsContact O-N 3.15Å; M124-L128 HydrophobicContact CB-CD1 4.13Å; M124-F130 HydrophobicContact CB-CE2 4.48Å; M124-F130 HydrophobicContact SD-CE1 4.28Å; M124-F130 HydrophobicContact SD-CE2 4.31Å; M124-F130 HydrophobicContact SD-CZ 3.53Å; M124-F130 VanDerWaalsContact SD-CZ 3.53Å |
| 125 | E | 83.7 | Confident | 91.4 | Very high | 130 Ų | 130 | 59.5 Ų | 59.5 | 61% | 0.607 | 29% | 0.291 | S | S | * | . | trans | -64.5 | 140.6 | -177.7 | -64.3 | 175.1 | -164.9 | 0 | 0 | 112.6 | N127 L128 | E125-N127 WeakPolarHBondContact CB-OD1 3.15Å; E125-N127 PolarHBondContact O-N 3.13Å; E125-N127 VanDerWaalsContact O-N 3.11Å; E125-N127 PolarHBondContact OE2-ND2 3.47Å; E125-N127 PolarHBondContact OE2-OD1 2.81Å; E125-L128 HydrophobicContact CB-CD1 4.39Å; E125-L128 HydrophobicContact CB-CG 4.4Å; E125-L128 WeakPolarHBondContact O-CB 3.38Å; E125-L128 PolarHBondContact O-N 3.23Å; E125-L128 VanDerWaalsContact O-N 3.08Å | ||
| 126 | E | 83 | Confident | 91.5 | Very high | 208 Ų | 208 | 57.4 Ų | 57.4 | 97% | 0.972 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -14.3 | -178.9 | -63.5 | -176.7 | 174.4 | 0 | 0 | 114.1 | L128 | E126-L128 PolarHBondContact O-N 3.3Š|
| 127 | N | 85.2 | Confident | 91.6 | Very high | 31 Ų | 31 | 56.1 Ų | 56.1 | 17% | 0.166 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | 2.8 | 174.1 | 66.4 | 0.4 | 0 | 0 | 0 | 113.4 | E125 N218 A219 E220 | E125-N127 WeakPolarHBondContact CB-OD1 3.15Å; E125-N127 PolarHBondContact O-N 3.13Å; E125-N127 VanDerWaalsContact O-N 3.11Å; E125-N127 PolarHBondContact OE2-ND2 3.47Å; E125-N127 PolarHBondContact OE2-OD1 2.81Å; N127-N218 PolarHBondContact ND2-ND2 3.2Å; N127-N218 CarbonylContact O-C 3.59Å; N127-N218 WeakPolarHBondContact O-CA 2.97Å; N127-A219 PolarHBondContact O-N 2.98Å; N127-E220 HydrophobicContact CB-CG 4.18Å; N127-E220 PolarHBondContact ND2-OE2 3.29Å |
| 128 | L | 88 | Confident | 91.5 | Very high | 28 Ų | 28 | 56.1 Ų | 56.1 | 15% | 0.147 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 112.8 | -179.9 | -62.8 | 178.5 | 0 | 0 | 0 | 111.8 | M124 E125 E126 F130 Q216 N218 | M124-L128 HydrophobicContact CB-CD1 4.13Å; E125-L128 HydrophobicContact CB-CD1 4.39Å; E125-L128 HydrophobicContact CB-CG 4.4Å; E125-L128 WeakPolarHBondContact O-CB 3.38Å; E125-L128 PolarHBondContact O-N 3.23Å; E125-L128 VanDerWaalsContact O-N 3.08Å; E126-L128 PolarHBondContact O-N 3.3Å; L128-F130 HydrophobicContact CB-CD2 4.37Å; L128-F130 HydrophobicContact CB-CE2 3.56Å; L128-F130 HydrophobicContact CB-CZ 4.03Å; L128-F130 HydrophobicContact CD1-CE2 4.44Å; L128-F130 HydrophobicContact CD1-CZ 4.25Å; L128-F130 WeakPolarHBondContact O-CD2 3.44Å; L128-Q216 VanDerWaalsContact CD1-NE2 3.3Å; L128-Q216 HydrophobicContact CD2-CG 4.21Å; L128-Q216 VanDerWaalsContact CD2-NE2 3.32Å; L128-N218 HydrophobicContact CD2-CB 3.58Å; L128-N218 WeakPolarHBondContact CD2-ND2 3.41Å |
| 129 | E | 90 | Very high | 91.4 | Very high | 105 Ų | 105 | 55.9 Ų | 55.9 | 49% | 0.491 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 129.2 | 172 | -65 | -171 | 175.2 | 0 | 0 | 111 | H131 Q216 E217 | E129-H131 IonicContact OE2-CE1 3.63Å; E129-Q216 CarbonylContact O-C 3.58Å; E129-Q216 WeakPolarHBondContact O-CA 3.42Å; E129-E217 HydrophobicContact CB-CB 4.46Å; E129-E217 PolarHBondContact N-O 2.96Å; E129-E217 PolarHBondContact O-N 2.95Å |
| 130 | F | 92.2 | Very high | 91.2 | Very high | 44 Ų | 44 | 52.6 Ų | 52.6 | 19% | 0.193 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 122.5 | 178.6 | -68.5 | -89.1 | 0 | 0 | 0 | 111.7 | L76 I121 M124 L128 I214 R215 Q216 | L76-F130 HydrophobicContact CD2-CE1 4.4Å; I121-F130 HydrophobicContact CB-CD2 4.45Å; I121-F130 HydrophobicContact CD1-CB 4.23Å; I121-F130 HydrophobicContact CD1-CD1 3.85Å; I121-F130 HydrophobicContact CD1-CE1 4.39Å; I121-F130 HydrophobicContact CD1-CG 3.97Å; I121-F130 HydrophobicContact CG1-CD1 3.89Å; I121-F130 HydrophobicContact CG1-CD2 4.19Å; I121-F130 HydrophobicContact CG1-CE1 3.97Å; I121-F130 HydrophobicContact CG1-CE2 4.26Å; I121-F130 HydrophobicContact CG1-CG 4Å; I121-F130 HydrophobicContact CG1-CZ 4.17Å; I121-F130 HydrophobicContact CG2-CB 4.39Å; I121-F130 HydrophobicContact CG2-CD2 3.6Å; I121-F130 HydrophobicContact CG2-CE2 4.01Å; I121-F130 HydrophobicContact CG2-CG 3.98Å; M124-F130 HydrophobicContact CB-CE2 4.48Å; M124-F130 HydrophobicContact SD-CE1 4.28Å; M124-F130 HydrophobicContact SD-CE2 4.31Å; M124-F130 HydrophobicContact SD-CZ 3.53Å; M124-F130 VanDerWaalsContact SD-CZ 3.53Å; L128-F130 HydrophobicContact CB-CD2 4.37Å; L128-F130 HydrophobicContact CB-CE2 3.56Å; L128-F130 HydrophobicContact CB-CZ 4.03Å; L128-F130 HydrophobicContact CD1-CE2 4.44Å; L128-F130 HydrophobicContact CD1-CZ 4.25Å; L128-F130 WeakPolarHBondContact O-CD2 3.44Å; F130-I214 HydrophobicContact CD1-CG2 4.02Å; F130-R215 WeakPolarHBondContact CA-O 3.43Å; F130-Q216 HydrophobicContact CD1-CB 4Å; F130-Q216 HydrophobicContact CD1-CG 4.28Å; F130-Q216 HydrophobicContact CE1-CB 3.68Å; F130-Q216 HydrophobicContact CE1-CG 3.63Å; F130-Q216 HydrophobicContact CZ-CB 4.38Å; F130-Q216 HydrophobicContact CZ-CG 3.82Å |
| 131 | H | 92.8 | Very high | 90.8 | Very high | 85 Ų | 85 | 53.4 Ų | 53.4 | 39% | 0.394 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 96.6 | 172.6 | -68.6 | 80.4 | 0 | 0 | 0 | 108.8 | E129 R215 | E129-H131 IonicContact OE2-CE1 3.63Å; H131-R215 HydrophobicContact CB-CB 4.25Å; H131-R215 PolarHBondContact N-O 3.47Å; H131-R215 PolarHBondContact O-N 3.41Å |
| 132 | I | 96 | Very high | 90.7 | Very high | 9 Ų | 9 | 54.6 Ų | 54.6 | 5% | 0.046 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 125.6 | 177.1 | -50.6 | 176 | 0 | 0 | 0 | 109.2 | I117 F118 I121 F174 V175 I212 | I117-I132 HydrophobicContact CG2-CD1 4.29Å; F118-I132 HydrophobicContact CD1-CD1 4.28Å; F118-I132 HydrophobicContact CE1-CD1 3.62Å; F118-I132 HydrophobicContact CE2-CD1 4.33Å; F118-I132 HydrophobicContact CZ-CD1 3.65Å; I121-I132 HydrophobicContact CD1-CD1 3.7Å; I121-I132 HydrophobicContact CD1-CG1 4.4Å; I132-F174 WeakPolarHBondContact O-CA 3.32Å; I132-V175 HydrophobicContact CB-CG2 3.9Å; I132-V175 HydrophobicContact CG2-CG2 3.54Å; I132-V175 PolarHBondContact O-N 3.03Å; I132-I212 HydrophobicContact CG2-CG2 3.88Å |
| 133 | K | 95.9 | Very high | 90.7 | Very high | 45 Ų | 45 | 52 Ų | 52 | 20% | 0.196 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 141.6 | 170.1 | -71.1 | 176.5 | 166.1 | -167.1 | 0 | 109.9 | E172 R173 F174 S213 | K133-E172 HydrophobicContact CD-CB 4.3Å; K133-E172 WeakPolarHBondContact CD-OE2 3.43Å; K133-E172 WeakPolarHBondContact CE-OE2 3.17Å; K133-E172 IonicContact NZ-OE2 2.64Å; K133-E172 PolarHBondContact NZ-OE2 3.46Å; K133-R173 CarbonylContact C-O 3.51Å; K133-R173 VanDerWaalsContact CA-O 3.3Å; K133-R173 WeakPolarHBondContact CA-O 3.01Å; K133-F174 HydrophobicContact CD-CE1 4.14Å; K133-F174 HydrophobicContact CD-CZ 4.27Å; K133-F174 VanDerWaalsContact CE-CE1 3.42Å; K133-F174 HydrophobicContact CG-CD1 3.73Å; K133-F174 HydrophobicContact CG-CE1 3.67Å; K133-F174 HydrophobicContact CG-CG 4.3Å; K133-F174 HydrophobicContact CG-CZ 4.17Å; K133-S213 PolarHBondContact N-O 3.16Å; K133-S213 PolarHBondContact O-N 3.38Å |
| 134 | I | 96.9 | Very high | 90.9 | Very high | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 144.3 | 169.6 | 60 | 176.6 | 0 | 0 | 0 | 111.2 | E172 R173 V175 V181 T184 F210 L211 I212 | I134-E172 CarbonylContact O-C 3.6Å; I134-E172 WeakPolarHBondContact O-CA 3.06Å; I134-R173 HydrophobicContact CG1-CB 4.22Å; I134-R173 PolarHBondContact N-O 2.66Å; I134-R173 PolarHBondContact O-N 3Å; I134-V175 HydrophobicContact CD1-CG1 3.56Å; I134-V175 HydrophobicContact CG1-CG1 3.91Å; I134-V175 HydrophobicContact CG1-CG2 4.46Å; I134-V175 HydrophobicContact CG2-CG2 4.05Å; I134-V181 HydrophobicContact CD1-CB 4.47Å; I134-V181 HydrophobicContact CD1-CG1 4.25Å; I134-V181 HydrophobicContact CD1-CG2 4.38Å; I134-V181 HydrophobicContact CG2-CG1 4.43Å; I134-T184 VanDerWaalsContact CD1-CB 3.49Å; I134-T184 HydrophobicContact CD1-CG2 3.42Å; I134-T184 VanDerWaalsContact CD1-CG2 3.42Å; I134-T184 HydrophobicContact CG1-CG2 4.19Å; I134-F210 HydrophobicContact CB-CE2 4.45Å; I134-F210 HydrophobicContact CB-CZ 3.96Å; I134-F210 HydrophobicContact CD1-CE2 4.45Å; I134-F210 HydrophobicContact CD1-CZ 4.06Å; I134-F210 HydrophobicContact CG2-CE1 4.28Å; I134-F210 HydrophobicContact CG2-CZ 3.98Å; I134-L211 CarbonylContact C-O 3.59Å; I134-L211 VanDerWaalsContact CA-O 3.29Å; I134-L211 WeakPolarHBondContact CA-O 3.38Å; I134-I212 HydrophobicContact CG2-CB 4.48Å; I134-I212 HydrophobicContact CG2-CG1 4.13Å; I134-I212 HydrophobicContact CG2-CG2 4.27Å |
| 135 | S | 96.3 | Very high | 91.1 | Very high | 6 Ų | 6 | 47.1 Ų | 47.1 | 4% | 0.042 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 137 | 171 | -165.8 | 0 | 0 | 0 | 0 | 108.6 | C170 S171 L211 | S135-C170 PolarHBondContact OG-SG 2.94Å; S135-S171 VanDerWaalsContact CB-O 3.28Å; S135-S171 WeakPolarHBondContact CB-O 3.21Å; S135-S171 PolarHBondContact OG-O 3.47Å; S135-L211 PolarHBondContact N-O 3.31Å; S135-L211 PolarHBondContact O-N 3.47Å |
| 136 | Y | 96.5 | Very high | 91.6 | Very high | 5 Ų | 5 | 41.1 Ų | 41.1 | 2% | 0.02 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 121.7 | -179.7 | -166.1 | -171.7 | 0 | 0 | 0 | 109.2 | L147 L148 F210 | Y136-L147 HydrophobicContact CD1-CB 4.16Å; Y136-L147 HydrophobicContact CD1-CD1 4.15Å; Y136-L147 HydrophobicContact CD2-CD1 3.72Å; Y136-L147 HydrophobicContact CE1-CD1 4.01Å; Y136-L147 HydrophobicContact CE2-CD1 3.56Å; Y136-L147 HydrophobicContact CG-CB 4.07Å; Y136-L147 HydrophobicContact CG-CD1 4.01Å; Y136-L147 WeakPolarHBondContact O-CB 3.46Å; Y136-L147 PolarHBondContact O-N 2.82Å; Y136-L148 HydrophobicContact CD1-CD2 4.41Å; Y136-F210 AromaticContact CD1-CD2 3.94Å; Y136-F210 HydrophobicContact CD1-CD2 3.94Å; Y136-F210 HydrophobicContact CD1-CE2 4.34Å; Y136-F210 HydrophobicContact CD2-CB 4.1Å; Y136-F210 AromaticContact CD2-CD2 3.83Å; Y136-F210 HydrophobicContact CD2-CD2 3.83Å; Y136-F210 HydrophobicContact CD2-CG 4.49Å; Y136-F210 HydrophobicContact CE2-CB 4.32Å; Y136-F210 HydrophobicContact CE2-CD2 4.41Å; Y136-F210 AromaticContact CG-CD2 3.58Å; Y136-F210 HydrophobicContact CG-CD2 3.58Å; Y136-F210 HydrophobicContact CG-CE2 4.24Å |
| 137 | F | 95.4 | Very high | 92.1 | Very high | 4 Ų | 4 | 31.4 Ų | 31.4 | 2% | 0.018 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 159.3 | 177.9 | 58.9 | -92.2 | 0 | 0 | 0 | 110.6 | I139 I144 R145 V167 C170 V209 I288 | F137-I139 HydrophobicContact CD2-CG1 4.33Å; F137-I139 HydrophobicContact CE2-CD1 4.37Å; F137-I139 HydrophobicContact CE2-CG1 4.31Å; F137-I144 HydrophobicContact CB-CG2 4.13Å; F137-I144 HydrophobicContact CD2-CG2 3.66Å; F137-I144 HydrophobicContact CE2-CG2 4.36Å; F137-I144 HydrophobicContact CG-CG2 4.12Å; F137-R145 CarbonylContact C-O 3.51Å; F137-R145 VanDerWaalsContact CA-O 3.25Å; F137-R145 WeakPolarHBondContact CA-O 3.2Å; F137-R145 VanDerWaalsContact CB-O 3.24Å; F137-R145 WeakPolarHBondContact CB-O 3.45Å; F137-V167 HydrophobicContact CE1-CG2 4.16Å; F137-V167 HydrophobicContact CE2-CG2 4.09Å; F137-V167 HydrophobicContact CZ-CG2 3.74Å; F137-C170 WeakPolarHBondContact CD1-SG 3.46Å; F137-V209 HydrophobicContact CD2-CB 3.98Å; F137-V209 HydrophobicContact CD2-CG2 4.42Å; F137-V209 HydrophobicContact CE1-CB 4.22Å; F137-V209 HydrophobicContact CE1-CG1 3.94Å; F137-V209 HydrophobicContact CE2-CB 3.53Å; F137-V209 HydrophobicContact CE2-CG1 3.85Å; F137-V209 HydrophobicContact CE2-CG2 3.83Å; F137-V209 HydrophobicContact CZ-CB 3.67Å; F137-V209 HydrophobicContact CZ-CG1 3.45Å; F137-V209 VanDerWaalsContact CZ-CG1 3.45Å; F137-V209 HydrophobicContact CZ-CG2 4.3Å; F137-V209 PolarHBondContact N-O 2.83Å; F137-V209 VanDerWaalsContact N-O 3.1Å; F137-V209 PolarHBondContact O-N 2.94Å; F137-I288 HydrophobicContact CE2-CD1 3.93Å; F137-I288 HydrophobicContact CZ-CD1 4.28Å; F137-I288 HydrophobicContact CZ-CG2 4.42Å |
| 138 | E | 93.5 | Very high | 92.5 | Very high | 4 Ų | 4 | 30.3 Ų | 30.3 | 2% | 0.019 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 154.2 | 171.1 | 64.5 | 170.7 | 178.9 | 0 | 0 | 112.2 | I144 R145 L147 R192 S206 H207 | E138-I144 CarbonylContact O-C 3.57Å; E138-I144 WeakPolarHBondContact O-CA 3.37Å; E138-R145 HydrophobicContact CG-CB 4.03Å; E138-R145 PolarHBondContact N-O 3.47Å; E138-R145 PolarHBondContact O-N 2.86Å; E138-R145 IonicContact OE1-CZ 3.34Å; E138-R145 IonicContact OE1-NE 4Å; E138-R145 PolarHBondContact OE1-NE 3.34Å; E138-R145 IonicContact OE1-NH2 2.66Å; E138-R145 PolarHBondContact OE1-NH2 2.81Å; E138-R145 IonicContact OE2-NH2 3.49Å; E138-L147 HydrophobicContact CB-CD1 4.15Å; E138-L147 HydrophobicContact CB-CD2 4.48Å; E138-L147 HydrophobicContact CB-CG 4.38Å; E138-L147 HydrophobicContact CG-CD1 4.48Å; E138-L147 HydrophobicContact CG-CD2 3.92Å; E138-L147 HydrophobicContact CG-CG 4.25Å; E138-R192 IonicContact OE2-CZ 2.63Å; E138-R192 IonicContact OE2-NE 3.42Å; E138-R192 IonicContact OE2-NH1 3.21Å; E138-R192 PolarHBondContact OE2-NH1 3.48Å; E138-S206 VanDerWaalsContact OE2-CB 3.23Å; E138-S206 WeakPolarHBondContact OE2-CB 3.22Å; E138-S206 PolarHBondContact OE2-OG 3.34Å; E138-H207 CarbonylContact C-O 3.49Å; E138-H207 WeakPolarHBondContact CA-O 3.2Å; E138-H207 WeakPolarHBondContact CB-O 3.27Å |
| 139 | I | 92.5 | Very high | 92.7 | Very high | 2 Ų | 2 | 31.2 Ų | 31.2 | 1% | 0.01 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 112.7 | 173.6 | -44.7 | -176.8 | 0 | 0 | 0 | 108.2 | F137 H143 I144 S206 H207 V209 L285 I288 | F137-I139 HydrophobicContact CD2-CG1 4.33Å; F137-I139 HydrophobicContact CE2-CD1 4.37Å; F137-I139 HydrophobicContact CE2-CG1 4.31Å; I139-H143 WeakPolarHBondContact CA-O 3.21Å; I139-I144 HydrophobicContact CG1-CG1 4.28Å; I139-S206 WeakPolarHBondContact O-CA 3.32Å; I139-H207 HydrophobicContact CB-CB 4.28Å; I139-H207 PolarHBondContact N-O 3.26Å; I139-H207 PolarHBondContact O-CD2 2.96Å; I139-H207 PolarHBondContact O-N 2.64Å; I139-V209 HydrophobicContact CD1-CG2 4.4Å; I139-L285 HydrophobicContact CD1-CB 4.14Å; I139-L285 HydrophobicContact CD1-CD1 4Å; I139-I288 HydrophobicContact CD1-CD1 3.72Å |
| 140 | Y | 88 | Confident | 92.5 | Very high | 22 Ų | 22 | 30.7 Ų | 30.7 | 9% | 0.086 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 126.6 | -178.4 | 177.4 | -99.4 | 0 | 0 | 0 | 109.9 | D142 H143 R145 H202 R205 E252 | Y140-D142 PolarHBondContact O-N 3.01Å; Y140-H143 PolarHBondContact N-O 2.89Å; Y140-H143 WeakPolarHBondContact O-CA 3.36Å; Y140-H143 WeakPolarHBondContact O-CB 3.45Å; Y140-H143 PolarHBondContact O-N 2.91Å; Y140-R145 VanDerWaalsContact CD1-NH1 3.33Å; Y140-H202 AromaticContact CE2-ND1 3.57Å; Y140-H202 AromaticContact CZ-CE1 3.73Å; Y140-H202 AromaticContact CZ-ND1 3.55Å; Y140-H202 PolarHBondContact OH-CE1 2.95Å; Y140-H202 PolarHBondContact OH-ND1 3.35Å; Y140-R205 HydrophobicContact CE2-CB 4.3Å; Y140-E252 HydrophobicContact CE2-CG 4.38Å; Y140-E252 WeakPolarHBondContact OH-CG 3.32Å; Y140-E252 PolarHBondContact OH-OE1 3.33Å |
| 141 | M | 82.8 | Confident | 92.3 | Very high | 64 Ų | 64 | 34.1 Ų | 34.1 | 32% | 0.315 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.7 | 37.5 | -173.3 | -61.3 | -179.5 | 71.3 | 0 | 0 | 113.6 | H143 N255 | M141-H143 PolarHBondContact O-CD2 3.44Å; M141-H143 PolarHBondContact O-N 3.46Å; M141-H143 VanDerWaalsContact O-N 3.13Å; M141-N255 HydrophobicContact CB-CB 4.45Å; M141-N255 HydrophobicContact CE-CB 4.49Å; M141-N255 HydrophobicContact CG-CB 4.29Å |
| 142 | D | 88.9 | Confident | 92.1 | Very high | 51 Ų | 51 | 33.2 Ų | 33.2 | 27% | 0.273 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.2 | 11.3 | -173.9 | -153.2 | 55 | 0 | 0 | 0 | 115 | Y140 K284 | Y140-D142 PolarHBondContact O-N 3.01Å; D142-K284 WeakPolarHBondContact O-CD 3.37Å; D142-K284 WeakPolarHBondContact O-CE 3.38Å; D142-K284 PolarHBondContact O-NZ 3.42Å; D142-K284 WeakPolarHBondContact OD1-CB 3.44Å; D142-K284 PolarHBondContact OD1-N 3.4Å |
| 143 | H | 90.2 | Very high | 91.8 | Very high | 89 Ų | 89 | 37.1 Ų | 37.1 | 41% | 0.412 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 132.3 | 165.7 | -60.8 | -65.4 | 0 | 0 | 0 | 109.9 | I139 Y140 M141 N154 | I139-H143 WeakPolarHBondContact CA-O 3.21Å; Y140-H143 PolarHBondContact N-O 2.89Å; Y140-H143 WeakPolarHBondContact O-CA 3.36Å; Y140-H143 WeakPolarHBondContact O-CB 3.45Å; Y140-H143 PolarHBondContact O-N 2.91Å; M141-H143 PolarHBondContact O-CD2 3.44Å; M141-H143 PolarHBondContact O-N 3.46Å; M141-H143 VanDerWaalsContact O-N 3.13Å; H143-N154 HydrophobicContact CB-CB 4.47Å; H143-N154 PolarHBondContact ND1-OD1 2.83Å |
| 144 | I | 93.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 126.9 | 175.4 | -56.8 | 173.2 | 0 | 0 | 0 | 107.9 | F137 E138 I139 N154 L155 V157 V167 K284 I288 | F137-I144 HydrophobicContact CB-CG2 4.13Å; F137-I144 HydrophobicContact CD2-CG2 3.66Å; F137-I144 HydrophobicContact CE2-CG2 4.36Å; F137-I144 HydrophobicContact CG-CG2 4.12Å; E138-I144 CarbonylContact O-C 3.57Å; E138-I144 WeakPolarHBondContact O-CA 3.37Å; I139-I144 HydrophobicContact CG1-CG1 4.28Å; I144-N154 CarbonylContact O-C 3.59Å; I144-N154 WeakPolarHBondContact O-CA 3.49Å; I144-N154 PolarHBondContact O-N 2.96Å; I144-L155 HydrophobicContact CB-CB 3.95Å; I144-L155 HydrophobicContact CG2-CB 3.98Å; I144-L155 HydrophobicContact CG2-CD1 4.36Å; I144-L155 PolarHBondContact O-N 3.46Å; I144-V157 HydrophobicContact CD1-CG2 3.59Å; I144-V167 HydrophobicContact CD1-CG1 4.09Å; I144-V167 HydrophobicContact CD1-CG2 4.13Å; I144-V167 HydrophobicContact CG2-CG1 3.99Å; I144-K284 HydrophobicContact CD1-CB 4.28Å; I144-K284 HydrophobicContact CD1-CD 3.82Å; I144-K284 HydrophobicContact CG1-CD 3.88Å; I144-I288 HydrophobicContact CD1-CD1 3.85Å |
| 145 | R | 92 | Very high | 91.3 | Very high | 57 Ų | 57 | 39.8 Ų | 39.8 | 22% | 0.215 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 131.5 | 173.1 | -66.3 | -172 | -70.3 | -112.9 | 4.9 | 109.5 | F137 E138 Y140 T153 | F137-R145 CarbonylContact C-O 3.51Å; F137-R145 VanDerWaalsContact CA-O 3.25Å; F137-R145 WeakPolarHBondContact CA-O 3.2Å; F137-R145 VanDerWaalsContact CB-O 3.24Å; F137-R145 WeakPolarHBondContact CB-O 3.45Å; E138-R145 HydrophobicContact CG-CB 4.03Å; E138-R145 PolarHBondContact N-O 3.47Å; E138-R145 PolarHBondContact O-N 2.86Å; E138-R145 IonicContact OE1-CZ 3.34Å; E138-R145 IonicContact OE1-NE 4Å; E138-R145 PolarHBondContact OE1-NE 3.34Å; E138-R145 IonicContact OE1-NH2 2.66Å; E138-R145 PolarHBondContact OE1-NH2 2.81Å; E138-R145 IonicContact OE2-NH2 3.49Å; Y140-R145 VanDerWaalsContact CD1-NH1 3.33Å; R145-T153 HydrophobicContact CG-CG2 4.25Å |
| 146 | D | 95.1 | Very high | 91.2 | Very high | 4 Ų | 4 | 42 Ų | 42 | 2% | 0.021 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 128.9 | 172.5 | -163.8 | -31.2 | 0 | 0 | 0 | 109.2 | L148 D149 K152 L155 S171 | D146-L148 WeakPolarHBondContact OD1-CA 3.12Å; D146-L148 WeakPolarHBondContact OD1-CB 3.45Å; D146-L148 PolarHBondContact OD1-N 3.26Å; D146-D149 PolarHBondContact OD1-N 3.05Å; D146-K152 HydrophobicContact CB-CB 3.72Å; D146-K152 HydrophobicContact CB-CD 4.4Å; D146-K152 PolarHBondContact N-O 3.43Å; D146-K152 VanDerWaalsContact N-O 3.07Å; D146-K152 WeakPolarHBondContact OD2-CD 3.44Å; D146-L155 HydrophobicContact CB-CD1 4.19Å; D146-S171 WeakPolarHBondContact OD2-CB 3.29Å; D146-S171 PolarHBondContact OD2-N 3.41Å; D146-S171 PolarHBondContact OD2-OG 2.93Å |
| 147 | L | 93.4 | Very high | 91.1 | Very high | 4 Ų | 4 | 42.2 Ų | 42.2 | 2% | 0.021 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -91.3 | -10.6 | 177.4 | -67.1 | 178.7 | 0 | 0 | 0 | 112 | Y136 E138 G188 N191 R192 | Y136-L147 HydrophobicContact CD1-CB 4.16Å; Y136-L147 HydrophobicContact CD1-CD1 4.15Å; Y136-L147 HydrophobicContact CD2-CD1 3.72Å; Y136-L147 HydrophobicContact CE1-CD1 4.01Å; Y136-L147 HydrophobicContact CE2-CD1 3.56Å; Y136-L147 HydrophobicContact CG-CB 4.07Å; Y136-L147 HydrophobicContact CG-CD1 4.01Å; Y136-L147 WeakPolarHBondContact O-CB 3.46Å; Y136-L147 PolarHBondContact O-N 2.82Å; E138-L147 HydrophobicContact CB-CD1 4.15Å; E138-L147 HydrophobicContact CB-CD2 4.48Å; E138-L147 HydrophobicContact CB-CG 4.38Å; E138-L147 HydrophobicContact CG-CD1 4.48Å; E138-L147 HydrophobicContact CG-CD2 3.92Å; E138-L147 HydrophobicContact CG-CG 4.25Å; L147-G188 WeakPolarHBondContact O-CA 3.31Å; L147-N191 WeakPolarHBondContact O-CB 3.3Å; L147-N191 PolarHBondContact O-ND2 2.89Å; L147-R192 HydrophobicContact CD1-CB 4.44Å; L147-R192 HydrophobicContact CD2-CB 3.81Å; L147-R192 HydrophobicContact CD2-CG 4.41Å |
| 148 | L | 93.7 | Very high | 90.9 | Very high | 8 Ų | 8 | 45.2 Ų | 45.2 | 4% | 0.042 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -98.4 | -6.6 | 176.8 | -52.3 | -170.8 | 0 | 0 | 0 | 112.9 | Y136 D146 R173 T184 | Y136-L148 HydrophobicContact CD1-CD2 4.41Å; D146-L148 WeakPolarHBondContact OD1-CA 3.12Å; D146-L148 WeakPolarHBondContact OD1-CB 3.45Å; D146-L148 PolarHBondContact OD1-N 3.26Å; L148-R173 HydrophobicContact CD1-CG 4.04Å; L148-R173 PolarHBondContact O-NH2 3.42Å; L148-T184 HydrophobicContact CD1-CG2 3.83Å; L148-T184 HydrophobicContact CD2-CG2 3.41Å; L148-T184 VanDerWaalsContact CD2-CG2 3.41Å; L148-T184 HydrophobicContact CG-CG2 4.27Å |
| 149 | D | 91.6 | Very high | 90.7 | Very high | 47 Ų | 47 | 48.1 Ų | 48.1 | 25% | 0.251 | 25% | 0.251 | S | S | . | . | trans | -154 | 94.6 | 174.1 | 178.6 | -3.3 | 0 | 0 | 0 | 109.9 | D146 T151 K152 | D146-D149 PolarHBondContact OD1-N 3.05Å; D149-T151 PolarHBondContact O-N 3.18Å; D149-T151 WeakPolarHBondContact OD1-CB 3.33Å; D149-T151 WeakPolarHBondContact OD1-CG2 3.22Å; D149-T151 PolarHBondContact OD1-N 3.2Å; D149-T151 PolarHBondContact OD1-OG1 2.91Å; D149-T151 PolarHBondContact OD2-OG1 3.15Å; D149-K152 HydrophobicContact CB-CD 4.04Å; D149-K152 HydrophobicContact CB-CG 4.39Å; D149-K152 PolarHBondContact O-N 3.06Å; D149-K152 WeakPolarHBondContact OD2-CD 3.44Å; D149-K152 WeakPolarHBondContact OD2-CE 3.34Å; D149-K152 IonicContact OD2-NZ 3.04Å | ||
| 150 | I | 86.4 | Confident | 90.3 | Very high | 94 Ų | 94 | 51 Ų | 51 | 48% | 0.482 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -21.7 | -176.8 | -56.7 | 162.1 | 0 | 0 | 0 | 112.5 | K152 N191 | I150-K152 PolarHBondContact O-N 3.34Å; I150-N191 HydrophobicContact CD1-CB 3.94Å; I150-N191 WeakPolarHBondContact CD1-OD1 3.41Å; I150-N191 HydrophobicContact CG1-CB 3.8Å |
| 151 | T | 87 | Confident | 90 | Very high | 116 Ų | 116 | 60 Ų | 60 | 71% | 0.712 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -24.5 | 178.8 | 75.4 | 0 | 0 | 0 | 0 | 112.4 | D149 T153 | D149-T151 PolarHBondContact O-N 3.18Å; D149-T151 WeakPolarHBondContact OD1-CB 3.33Å; D149-T151 WeakPolarHBondContact OD1-CG2 3.22Å; D149-T151 PolarHBondContact OD1-N 3.2Å; D149-T151 PolarHBondContact OD1-OG1 2.91Å; D149-T151 PolarHBondContact OD2-OG1 3.15Å; T151-T153 PolarHBondContact O-N 3.24Å |
| 152 | K | 89.4 | Confident | 89.9 | Confident | 66 Ų | 66 | 63.2 Ų | 63.2 | 29% | 0.287 | 32% | 0.324 | S | S | . | . | trans | -90.1 | 89.5 | -176.8 | -70 | 175.8 | -178.7 | 176.6 | 0 | 111.9 | D146 D149 I150 L155 G169 S171 | D146-K152 HydrophobicContact CB-CB 3.72Å; D146-K152 HydrophobicContact CB-CD 4.4Å; D146-K152 PolarHBondContact N-O 3.43Å; D146-K152 VanDerWaalsContact N-O 3.07Å; D146-K152 WeakPolarHBondContact OD2-CD 3.44Å; D149-K152 HydrophobicContact CB-CD 4.04Å; D149-K152 HydrophobicContact CB-CG 4.39Å; D149-K152 PolarHBondContact O-N 3.06Å; D149-K152 WeakPolarHBondContact OD2-CD 3.44Å; D149-K152 WeakPolarHBondContact OD2-CE 3.34Å; D149-K152 IonicContact OD2-NZ 3.04Å; I150-K152 PolarHBondContact O-N 3.34Å; K152-L155 HydrophobicContact CB-CD2 4.24Å; K152-G169 WeakPolarHBondContact CD-O 3.38Å; K152-G169 WeakPolarHBondContact CE-O 3.34Å; K152-G169 PolarHBondContact NZ-O 3.25Å; K152-S171 PolarHBondContact NZ-OG 2.98Å | ||
| 153 | T | 88.8 | Confident | 89.6 | Confident | 91 Ų | 91 | 70 Ų | 70 | 56% | 0.558 | 35% | 0.346 | S | S | * | . | trans | -107.2 | 152.1 | 176.9 | 61.6 | 0 | 0 | 0 | 0 | 112.5 | R145 T151 | R145-T153 HydrophobicContact CG-CG2 4.25Å; T151-T153 PolarHBondContact O-N 3.24Å | ||
| 154 | N | 89 | Confident | 89.3 | Confident | 83 Ų | 83 | 67.1 Ų | 67.1 | 44% | 0.444 | 33% | 0.334 | S | S | . | . | S | Bend | trans | 53.8 | 50 | -179 | -169.1 | 29 | 0 | 0 | 0 | 115.1 | H143 I144 K284 | H143-N154 HydrophobicContact CB-CB 4.47Å; H143-N154 PolarHBondContact ND1-OD1 2.83Å; I144-N154 CarbonylContact O-C 3.59Å; I144-N154 WeakPolarHBondContact O-CA 3.49Å; I144-N154 PolarHBondContact O-N 2.96Å; N154-K284 PolarHBondContact OD1-NZ 3.42Å; N154-K284 VanDerWaalsContact OD1-NZ 3.09Å |
| 155 | L | 94.4 | Very high | 89.2 | Confident | 19 Ų | 19 | 67.2 Ų | 67.2 | 10% | 0.099 | 34% | 0.335 | C | S | . | . | B | Isolated β-bridge | trans | -61.4 | 158 | 173.5 | -57.8 | 177.8 | 0 | 0 | 0 | 112.2 | I144 D146 K152 V167 C170 K284 | I144-L155 HydrophobicContact CB-CB 3.95Å; I144-L155 HydrophobicContact CG2-CB 3.98Å; I144-L155 HydrophobicContact CG2-CD1 4.36Å; I144-L155 PolarHBondContact O-N 3.46Å; D146-L155 HydrophobicContact CB-CD1 4.19Å; K152-L155 HydrophobicContact CB-CD2 4.24Å; L155-V167 HydrophobicContact CB-CG1 3.65Å; L155-V167 HydrophobicContact CD1-CG1 3.83Å; L155-V167 HydrophobicContact CG-CG1 4.41Å; L155-C170 HydrophobicContact CD1-CB 3.92Å; L155-K284 PolarHBondContact O-NZ 3.31Å |
| 156 | S | 93 | Very high | 89.2 | Confident | 52 Ų | 52 | 69.3 Ų | 69.3 | 36% | 0.364 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 134.5 | -171.6 | 52.9 | 0 | 0 | 0 | 0 | 112.2 | H158 K168 | S156-H158 PolarHBondContact O-N 2.71Å; S156-H158 PolarHBondContact O-ND1 2.79Å; S156-H158 PolarHBondContact OG-CE1 2.97Å; S156-H158 PolarHBondContact OG-ND1 3.22Å; S156-K168 PolarHBondContact O-N 2.89Å |
| 157 | V | 94.2 | Very high | 89.2 | Confident | 10 Ų | 10 | 70.1 Ų | 70.1 | 6% | 0.061 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 115 | 177.8 | -172 | 0 | 0 | 0 | 0 | 109.3 | I144 P165 Y166 K284 R287 I288 | I144-V157 HydrophobicContact CD1-CG2 3.59Å; V157-P165 HydrophobicContact CG1-CB 3.9Å; V157-Y166 CarbonylContact C-O 3.51Å; V157-Y166 WeakPolarHBondContact CA-O 3.45Å; V157-K284 HydrophobicContact CG2-CB 3.99Å; V157-K284 HydrophobicContact CG2-CD 4.34Å; V157-K284 HydrophobicContact CG2-CG 4.17Å; V157-R287 HydrophobicContact CG1-CB 4.08Å; V157-R287 PolarHBondContact O-NH1 3.25Å; V157-R287 PolarHBondContact O-NH2 3.31Å; V157-I288 HydrophobicContact CG1-CG1 4.22Å; V157-I288 HydrophobicContact CG2-CD1 3.89Å; V157-I288 HydrophobicContact CG2-CG1 3.81Å |
| 158 | H | 91.4 | Very high | 89.1 | Confident | 67 Ų | 67 | 75 Ų | 75 | 31% | 0.31 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 167.2 | 174 | -75.6 | 64.2 | 0 | 0 | 0 | 109.9 | S156 P165 Y166 K168 | S156-H158 PolarHBondContact O-N 2.71Å; S156-H158 PolarHBondContact O-ND1 2.79Å; S156-H158 PolarHBondContact OG-CE1 2.97Å; S156-H158 PolarHBondContact OG-ND1 3.22Å; H158-P165 CarbonylContact O-C 3.59Å; H158-P165 VanDerWaalsContact O-CA 3.25Å; H158-P165 WeakPolarHBondContact O-CA 3.45Å; H158-Y166 HydrophobicContact CB-CD1 4.28Å; H158-Y166 HydrophobicContact CB-CE1 3.67Å; H158-Y166 HydrophobicContact CB-CE2 4.36Å; H158-Y166 PolarHBondContact N-O 3.13Å; H158-Y166 PolarHBondContact O-N 2.67Å; H158-K168 HydrophobicContact CB-CB 4.41Å; H158-K168 WeakPolarHBondContact CE1-CD 3.49Å; H158-K168 WeakPolarHBondContact ND1-CB 3.38Å; H158-K168 WeakPolarHBondContact NE2-CD 3.36Å |
| 159 | E | 89.1 | Confident | 89 | Confident | 64 Ų | 64 | 76.9 Ų | 76.9 | 30% | 0.299 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 138.5 | 173.4 | -74.4 | 159.4 | -147.8 | 0 | 0 | 107.5 | V164 R281 R287 | E159-V164 WeakPolarHBondContact CA-O 3.45Å; E159-R281 IonicContact OE1-CZ 3.72Å; E159-R281 IonicContact OE1-NE 2.79Å; E159-R281 IonicContact OE1-NH2 3.13Å; E159-R281 PolarHBondContact OE1-NH2 3.02Å; E159-R281 IonicContact OE2-NH2 2.67Å; E159-R281 PolarHBondContact OE2-NH2 3.15Å; E159-R287 IonicContact OE1-CZ 2.72Å; E159-R287 IonicContact OE1-NE 2.79Å; E159-R287 IonicContact OE1-NH2 3.76Å; E159-R287 PolarHBondContact OE1-NH2 3.34Å |
| 160 | D | 84.4 | Confident | 89.1 | Confident | 62 Ų | 62 | 75.7 Ų | 75.7 | 33% | 0.332 | 39% | 0.386 | S | S | . | . | trans | -82.8 | -173.9 | 178.4 | 79.2 | -1.4 | 0 | 0 | 0 | 112.4 | N162 R163 V164 Y166 | D160-N162 PolarHBondContact O-N 3.35Å; D160-N162 VanDerWaalsContact O-N 3.16Å; D160-N162 VanDerWaalsContact OD1-C 3.31Å; D160-N162 VanDerWaalsContact OD1-CA 3.3Å; D160-N162 WeakPolarHBondContact OD1-CA 3.4Å; D160-N162 WeakPolarHBondContact OD1-CB 3.41Å; D160-N162 PolarHBondContact OD1-N 2.78Å; D160-R163 WeakPolarHBondContact O-CA 3.39Å; D160-R163 PolarHBondContact O-N 3.45Å; D160-R163 PolarHBondContact OD1-N 2.61Å; D160-R163 VanDerWaalsContact OD1-N 3.09Å; D160-V164 PolarHBondContact N-O 3.46Å; D160-V164 WeakPolarHBondContact OD1-CB 3.17Å; D160-V164 PolarHBondContact OD1-N 2.88Å; D160-Y166 HydrophobicContact CB-CD1 4.18Å; D160-Y166 HydrophobicContact CB-CE1 4.12Å | ||
| 161 | K | 81.9 | Confident | 89.5 | Confident | 211 Ų | 211 | 72 Ų | 72 | 92% | 0.917 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -26.6 | 178.5 | -63.8 | -173.5 | 178.3 | -173.3 | 0 | 113.5 | R163 | K161-R163 VanDerWaalsContact C-N 3.35Š|
| 162 | N | 80.6 | Confident | 89.9 | Confident | 133 Ų | 133 | 71.7 Ų | 71.7 | 71% | 0.711 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | 9 | 178.9 | -61.1 | -24.5 | 0 | 0 | 0 | 112 | D160 V164 | D160-N162 PolarHBondContact O-N 3.35Å; D160-N162 VanDerWaalsContact O-N 3.16Å; D160-N162 VanDerWaalsContact OD1-C 3.31Å; D160-N162 VanDerWaalsContact OD1-CA 3.3Å; D160-N162 WeakPolarHBondContact OD1-CA 3.4Å; D160-N162 WeakPolarHBondContact OD1-CB 3.41Å; D160-N162 PolarHBondContact OD1-N 2.78Å; N162-V164 HydrophobicContact CB-CG2 4.22Å; N162-V164 PolarHBondContact O-N 3.34Å |
| 163 | R | 81.6 | Confident | 90.2 | Very high | 194 Ų | 194 | 72.2 Ų | 72.2 | 73% | 0.732 | 36% | 0.359 | S | S | * | . | trans | 63.3 | 22.3 | -174 | -53.1 | -179.3 | 177.9 | -176.6 | -1.2 | 114.3 | D160 K161 | D160-R163 WeakPolarHBondContact O-CA 3.39Å; D160-R163 PolarHBondContact O-N 3.45Å; D160-R163 PolarHBondContact OD1-N 2.61Å; D160-R163 VanDerWaalsContact OD1-N 3.09Å; K161-R163 VanDerWaalsContact C-N 3.35Å | ||
| 164 | V | 85.3 | Confident | 90.5 | Very high | 27 Ų | 27 | 74.2 Ų | 74.2 | 16% | 0.164 | 36% | 0.36 | C | S | . | . | trans | -81.9 | 127.5 | 175.2 | 176.9 | 0 | 0 | 0 | 0 | 109.5 | E159 D160 N162 E291 | E159-V164 WeakPolarHBondContact CA-O 3.45Å; D160-V164 PolarHBondContact N-O 3.46Å; D160-V164 WeakPolarHBondContact OD1-CB 3.17Å; D160-V164 PolarHBondContact OD1-N 2.88Å; N162-V164 HydrophobicContact CB-CG2 4.22Å; N162-V164 PolarHBondContact O-N 3.34Å; V164-E291 VanDerWaalsContact CG1-CD 3.49Å; V164-E291 HydrophobicContact CG1-CG 4.07Å; V164-E291 WeakPolarHBondContact CG1-OE2 3.42Å | ||
| 165 | P | 90.8 | Very high | 90.8 | Very high | 3 Ų | 3 | 71 Ų | 71 | 2% | 0.019 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 138.5 | -178.2 | 25.5 | -28.8 | 0 | 0 | 0 | 112.9 | V157 H158 R287 Q290 | V157-P165 HydrophobicContact CG1-CB 3.9Å; H158-P165 CarbonylContact O-C 3.59Å; H158-P165 VanDerWaalsContact O-CA 3.25Å; H158-P165 WeakPolarHBondContact O-CA 3.45Å; P165-R287 WeakPolarHBondContact CB-O 3.47Å; P165-R287 WeakPolarHBondContact CG-O 3.27Å; P165-Q290 HydrophobicContact CG-CB 3.99Å |
| 166 | Y | 92 | Very high | 90.6 | Very high | 101 Ų | 101 | 74 Ų | 74 | 40% | 0.396 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 155.4 | 176.7 | 73.3 | -80.8 | 0 | 0 | 0 | 112.1 | V157 H158 D160 K168 | V157-Y166 CarbonylContact C-O 3.51Å; V157-Y166 WeakPolarHBondContact CA-O 3.45Å; H158-Y166 HydrophobicContact CB-CD1 4.28Å; H158-Y166 HydrophobicContact CB-CE1 3.67Å; H158-Y166 HydrophobicContact CB-CE2 4.36Å; H158-Y166 PolarHBondContact N-O 3.13Å; H158-Y166 PolarHBondContact O-N 2.67Å; D160-Y166 HydrophobicContact CB-CD1 4.18Å; D160-Y166 HydrophobicContact CB-CE1 4.12Å; Y166-K168 HydrophobicContact CE2-CB 4.15Å; Y166-K168 PolarHBondContact O-N 3.31Å |
| 167 | V | 94.8 | Very high | 90.6 | Very high | 20 Ų | 20 | 72.8 Ų | 72.8 | 12% | 0.121 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 105.4 | 179.4 | -175.3 | 0 | 0 | 0 | 0 | 109.7 | F137 I144 L155 G169 C170 I288 | F137-V167 HydrophobicContact CE1-CG2 4.16Å; F137-V167 HydrophobicContact CE2-CG2 4.09Å; F137-V167 HydrophobicContact CZ-CG2 3.74Å; I144-V167 HydrophobicContact CD1-CG1 4.09Å; I144-V167 HydrophobicContact CD1-CG2 4.13Å; I144-V167 HydrophobicContact CG2-CG1 3.99Å; L155-V167 HydrophobicContact CB-CG1 3.65Å; L155-V167 HydrophobicContact CD1-CG1 3.83Å; L155-V167 HydrophobicContact CG-CG1 4.41Å; V167-G169 PolarHBondContact O-N 2.89Å; V167-C170 HydrophobicContact CB-CB 4.02Å; V167-C170 HydrophobicContact CG1-CB 3.84Å; V167-I288 HydrophobicContact CG2-CD1 3.73Å; V167-I288 HydrophobicContact CG2-CG1 4.06Å |
| 168 | K | 92.3 | Very high | 90.6 | Very high | 108 Ų | 108 | 72.8 Ų | 72.8 | 47% | 0.47 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 128.2 | -178.9 | -175.6 | -179.9 | -179.9 | 178.3 | 0 | 110.7 | S156 H158 Y166 | S156-K168 PolarHBondContact O-N 2.89Å; H158-K168 HydrophobicContact CB-CB 4.41Å; H158-K168 WeakPolarHBondContact CE1-CD 3.49Å; H158-K168 WeakPolarHBondContact ND1-CB 3.38Å; H158-K168 WeakPolarHBondContact NE2-CD 3.36Å; Y166-K168 HydrophobicContact CE2-CB 4.15Å; Y166-K168 PolarHBondContact O-N 3.31Å |
| 169 | G | 90.8 | Very high | 90.6 | Very high | 46 Ų | 46 | 75 Ų | 75 | 47% | 0.474 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.3 | -8.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | K152 V167 | K152-G169 WeakPolarHBondContact CD-O 3.38Å; K152-G169 WeakPolarHBondContact CE-O 3.34Å; K152-G169 PolarHBondContact NZ-O 3.25Å; V167-G169 PolarHBondContact O-N 2.89Å |
| 170 | C | 94.1 | Very high | 90.9 | Very high | 22 Ų | 22 | 75.7 Ų | 75.7 | 15% | 0.149 | 37% | 0.372 | C | S | . | . | trans | -59 | 139.4 | 177 | -147.3 | 0 | 0 | 0 | 0 | 111 | S135 F137 L155 V167 | S135-C170 PolarHBondContact OG-SG 2.94Å; F137-C170 WeakPolarHBondContact CD1-SG 3.46Å; L155-C170 HydrophobicContact CD1-CB 3.92Å; V167-C170 HydrophobicContact CB-CB 4.02Å; V167-C170 HydrophobicContact CG1-CB 3.84Å | ||
| 171 | S | 95.1 | Very high | 91.3 | Very high | 18 Ų | 18 | 72.8 Ų | 72.8 | 13% | 0.126 | 36% | 0.357 | C | S | . | . | trans | -74.4 | 132.1 | -179.7 | -55.1 | 0 | 0 | 0 | 0 | 110.6 | S135 D146 K152 | S135-S171 VanDerWaalsContact CB-O 3.28Å; S135-S171 WeakPolarHBondContact CB-O 3.21Å; S135-S171 PolarHBondContact OG-O 3.47Å; D146-S171 WeakPolarHBondContact OD2-CB 3.29Å; D146-S171 PolarHBondContact OD2-N 3.41Å; D146-S171 PolarHBondContact OD2-OG 2.93Å; K152-S171 PolarHBondContact NZ-OG 2.98Å | ||
| 172 | E | 95.4 | Very high | 91.8 | Very high | 108 Ų | 108 | 64 Ų | 64 | 51% | 0.505 | 32% | 0.32 | S | S | . | . | trans | -113.1 | 123 | 170.8 | -61.7 | -178.2 | 151 | 0 | 0 | 107.7 | K133 I134 | K133-E172 HydrophobicContact CD-CB 4.3Å; K133-E172 WeakPolarHBondContact CD-OE2 3.43Å; K133-E172 WeakPolarHBondContact CE-OE2 3.17Å; K133-E172 IonicContact NZ-OE2 2.64Å; K133-E172 PolarHBondContact NZ-OE2 3.46Å; I134-E172 CarbonylContact O-C 3.6Å; I134-E172 WeakPolarHBondContact O-CA 3.06Å | ||
| 173 | R | 94.4 | Very high | 92.3 | Very high | 77 Ų | 77 | 62.6 Ų | 62.6 | 29% | 0.291 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 134.4 | 172.6 | -64.8 | -172 | -175.8 | -177.9 | 2.9 | 109.4 | K133 I134 L148 E187 | K133-R173 CarbonylContact C-O 3.51Å; K133-R173 VanDerWaalsContact CA-O 3.3Å; K133-R173 WeakPolarHBondContact CA-O 3.01Å; I134-R173 HydrophobicContact CG1-CB 4.22Å; I134-R173 PolarHBondContact N-O 2.66Å; I134-R173 PolarHBondContact O-N 3Å; L148-R173 HydrophobicContact CD1-CG 4.04Å; L148-R173 PolarHBondContact O-NH2 3.42Å; R173-E187 IonicContact CZ-OE1 3.19Å; R173-E187 IonicContact CZ-OE2 2.66Å; R173-E187 IonicContact NH1-OE1 2.94Å; R173-E187 IonicContact NH1-OE2 2.7Å; R173-E187 PolarHBondContact NH1-OE2 3.26Å; R173-E187 IonicContact NH2-OE1 2.75Å; R173-E187 PolarHBondContact NH2-OE1 3.19Å; R173-E187 IonicContact NH2-OE2 3.62Å; R173-E187 PolarHBondContact NH2-OE2 3.41Å |
| 174 | F | 95.7 | Very high | 92.8 | Very high | 133 Ų | 133 | 53.9 Ų | 53.9 | 58% | 0.583 | 28% | 0.28 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 143.7 | 168.4 | -68.5 | -89.4 | 0 | 0 | 0 | 109.5 | I132 K133 | I132-F174 WeakPolarHBondContact O-CA 3.32Å; K133-F174 HydrophobicContact CD-CE1 4.14Å; K133-F174 HydrophobicContact CD-CZ 4.27Å; K133-F174 VanDerWaalsContact CE-CE1 3.42Å; K133-F174 HydrophobicContact CG-CD1 3.73Å; K133-F174 HydrophobicContact CG-CE1 3.67Å; K133-F174 HydrophobicContact CG-CG 4.3Å; K133-F174 HydrophobicContact CG-CZ 4.17Å |
| 175 | V | 94.7 | Very high | 93.1 | Very high | 15 Ų | 15 | 52.9 Ų | 52.9 | 9% | 0.091 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 147 | -178.1 | -75.3 | 0 | 0 | 0 | 0 | 110.2 | I132 I134 E180 V181 | I132-V175 HydrophobicContact CB-CG2 3.9Å; I132-V175 HydrophobicContact CG2-CG2 3.54Å; I132-V175 PolarHBondContact O-N 3.03Å; I134-V175 HydrophobicContact CD1-CG1 3.56Å; I134-V175 HydrophobicContact CG1-CG1 3.91Å; I134-V175 HydrophobicContact CG1-CG2 4.46Å; I134-V175 HydrophobicContact CG2-CG2 4.05Å; V175-E180 HydrophobicContact CB-CB 4.37Å; V175-E180 HydrophobicContact CG1-CB 4.05Å; V175-V181 HydrophobicContact CB-CG2 3.79Å; V175-V181 HydrophobicContact CG1-CG2 3.92Å; V175-V181 HydrophobicContact CG2-CG2 3.68Å |
| 176 | S | 91.5 | Very high | 93.1 | Very high | 84 Ų | 84 | 57.8 Ų | 57.8 | 59% | 0.587 | 30% | 0.296 | S | S | * | . | trans | -126.5 | -14.1 | -172.9 | 65.9 | 0 | 0 | 0 | 0 | 114 | F118 E180 | F118-S176 WeakPolarHBondContact CE1-O 3.32Å; S176-E180 WeakPolarHBondContact CA-OE2 3.33Å; S176-E180 WeakPolarHBondContact CB-OE2 3.36Å; S176-E180 PolarHBondContact N-OE2 3.25Å; S176-E180 VanDerWaalsContact OG-CD 3.31Å; S176-E180 PolarHBondContact OG-OE1 3.01Å; S176-E180 PolarHBondContact OG-OE2 3.34Å | ||
| 177 | S | 93 | Very high | 93.1 | Very high | 25 Ų | 25 | 56.4 Ų | 56.4 | 18% | 0.175 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -140.5 | 163 | 174 | 89.1 | 0 | 0 | 0 | 0 | 112.5 | F118 E179 E180 | F118-S177 VanDerWaalsContact CE2-C 3.49Å; F118-S177 WeakPolarHBondContact CE2-O 3.44Å; F118-S177 VanDerWaalsContact CZ-C 3.44Å; F118-S177 WeakPolarHBondContact CZ-O 3.35Å; S177-E179 WeakPolarHBondContact CB-OE2 3.37Å; S177-E179 PolarHBondContact O-N 2.83Å; S177-E179 PolarHBondContact OG-N 2.89Å; S177-E179 PolarHBondContact OG-OE2 3.16Å; S177-E180 PolarHBondContact O-N 2.95Å; S177-E180 PolarHBondContact OG-N 3.14Å |
| 178 | P | 92.9 | Very high | 92.9 | Very high | 11 Ų | 11 | 55.4 Ų | 55.4 | 7% | 0.071 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -55.2 | -39.6 | 173.6 | -24.8 | 33.2 | 0 | 0 | 0 | 113.2 | V114 N115 F118 V181 L182 | V114-P178 HydrophobicContact CG1-CB 4.03Å; N115-P178 WeakPolarHBondContact OD1-CB 3.35Å; F118-P178 HydrophobicContact CB-CG 3.78Å; F118-P178 HydrophobicContact CD2-CB 4.16Å; F118-P178 HydrophobicContact CD2-CG 3.67Å; F118-P178 HydrophobicContact CE2-CG 4.44Å; F118-P178 HydrophobicContact CG-CG 3.81Å; P178-V181 WeakPolarHBondContact O-CB 3.42Å; P178-V181 PolarHBondContact O-N 2.98Å; P178-L182 WeakPolarHBondContact O-CG 3.48Å; P178-L182 PolarHBondContact O-N 2.81Å |
| 179 | E | 92.8 | Very high | 92.6 | Very high | 113 Ų | 113 | 52.9 Ų | 52.9 | 53% | 0.528 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -64.3 | -43 | -177.5 | -57.3 | 75.9 | -165.1 | 0 | 0 | 111.1 | S177 V181 L182 D183 | S177-E179 WeakPolarHBondContact CB-OE2 3.37Å; S177-E179 PolarHBondContact O-N 2.83Å; S177-E179 PolarHBondContact OG-N 2.89Å; S177-E179 PolarHBondContact OG-OE2 3.16Å; E179-V181 PolarHBondContact O-N 3.45Å; E179-L182 PolarHBondContact O-N 2.8Å; E179-L182 VanDerWaalsContact O-N 3.09Å; E179-D183 WeakPolarHBondContact O-CB 3.36Å; E179-D183 PolarHBondContact O-N 2.94Å |
| 180 | E | 94.1 | Very high | 92.4 | Very high | 78 Ų | 78 | 53 Ų | 53 | 36% | 0.364 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61.4 | -29.3 | 176.6 | -65.8 | -174.8 | 149 | 0 | 0 | 112.7 | V175 S176 S177 T184 | V175-E180 HydrophobicContact CB-CB 4.37Å; V175-E180 HydrophobicContact CG1-CB 4.05Å; S176-E180 WeakPolarHBondContact CA-OE2 3.33Å; S176-E180 WeakPolarHBondContact CB-OE2 3.36Å; S176-E180 PolarHBondContact N-OE2 3.25Å; S176-E180 VanDerWaalsContact OG-CD 3.31Å; S176-E180 PolarHBondContact OG-OE1 3.01Å; S176-E180 PolarHBondContact OG-OE2 3.34Å; S177-E180 PolarHBondContact O-N 2.95Å; S177-E180 PolarHBondContact OG-N 3.14Å; E180-T184 WeakPolarHBondContact O-CB 3.35Å; E180-T184 PolarHBondContact O-N 3.5Å; E180-T184 PolarHBondContact O-OG1 3.33Å |
| 181 | V | 93.6 | Very high | 92.1 | Very high | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.012 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -74.4 | -43.5 | 174.1 | -177.8 | 0 | 0 | 0 | 0 | 111.3 | V114 F118 I134 V175 P178 E179 T184 I185 F210 | V114-V181 HydrophobicContact CB-CG1 4.44Å; V114-V181 HydrophobicContact CG1-CB 3.78Å; V114-V181 HydrophobicContact CG1-CG1 3.92Å; V114-V181 HydrophobicContact CG1-CG2 4.19Å; V114-V181 HydrophobicContact CG2-CB 4.39Å; V114-V181 HydrophobicContact CG2-CG1 3.59Å; F118-V181 HydrophobicContact CE2-CG2 3.86Å; F118-V181 HydrophobicContact CZ-CG2 4.3Å; I134-V181 HydrophobicContact CD1-CB 4.47Å; I134-V181 HydrophobicContact CD1-CG1 4.25Å; I134-V181 HydrophobicContact CD1-CG2 4.38Å; I134-V181 HydrophobicContact CG2-CG1 4.43Å; V175-V181 HydrophobicContact CB-CG2 3.79Å; V175-V181 HydrophobicContact CG1-CG2 3.92Å; V175-V181 HydrophobicContact CG2-CG2 3.68Å; P178-V181 WeakPolarHBondContact O-CB 3.42Å; P178-V181 PolarHBondContact O-N 2.98Å; E179-V181 PolarHBondContact O-N 3.45Å; V181-T184 PolarHBondContact O-N 3.41Å; V181-I185 HydrophobicContact CG1-CD1 4.04Å; V181-I185 WeakPolarHBondContact O-CG1 3.28Å; V181-I185 PolarHBondContact O-N 3.07Å; V181-F210 HydrophobicContact CG1-CE1 4.13Å; V181-F210 HydrophobicContact CG1-CZ 3.82Å |
| 182 | L | 91.9 | Very high | 91.5 | Very high | 27 Ų | 27 | 53.3 Ų | 53.3 | 14% | 0.141 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.5 | -44.3 | 177.3 | -65.2 | 176.3 | 0 | 0 | 0 | 111.5 | I101 P111 P178 E179 T184 I185 E186 | I101-L182 HydrophobicContact CG2-CD2 4.31Å; P111-L182 HydrophobicContact CB-CD2 3.95Å; P178-L182 WeakPolarHBondContact O-CG 3.48Å; P178-L182 PolarHBondContact O-N 2.81Å; E179-L182 PolarHBondContact O-N 2.8Å; E179-L182 VanDerWaalsContact O-N 3.09Å; L182-T184 VanDerWaalsContact C-N 3.28Å; L182-T184 PolarHBondContact O-N 3.27Å; L182-I185 HydrophobicContact CD2-CD1 4.41Å; L182-I185 CarbonylContact O-C 3.52Å; L182-I185 WeakPolarHBondContact O-CA 3.38Å; L182-I185 WeakPolarHBondContact O-CB 3.38Å; L182-I185 PolarHBondContact O-N 2.81Å; L182-I185 VanDerWaalsContact O-N 3.08Å; L182-E186 PolarHBondContact O-N 2.82Å |
| 183 | D | 92.4 | Very high | 90.2 | Very high | 103 Ų | 103 | 55 Ų | 55 | 55% | 0.551 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -55.5 | -44.3 | 172.9 | -74.2 | -6.3 | 0 | 0 | 0 | 110.9 | E179 I185 E186 E187 | E179-D183 WeakPolarHBondContact O-CB 3.36Å; E179-D183 PolarHBondContact O-N 2.94Å; D183-I185 VanDerWaalsContact C-N 3.34Å; D183-I185 PolarHBondContact O-N 2.87Å; D183-E186 PolarHBondContact O-N 3.26Å; D183-E187 WeakPolarHBondContact O-CB 3.45Å; D183-E187 PolarHBondContact O-N 3.47Å |
| 184 | T | 92.4 | Very high | 88.6 | Confident | 11 Ų | 11 | 56.9 Ų | 56.9 | 7% | 0.067 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -68.7 | -31.9 | 178.4 | -59.7 | 0 | 0 | 0 | 0 | 112.4 | I134 L148 E180 V181 L182 G188 | I134-T184 VanDerWaalsContact CD1-CB 3.49Å; I134-T184 HydrophobicContact CD1-CG2 3.42Å; I134-T184 VanDerWaalsContact CD1-CG2 3.42Å; I134-T184 HydrophobicContact CG1-CG2 4.19Å; L148-T184 HydrophobicContact CD1-CG2 3.83Å; L148-T184 HydrophobicContact CD2-CG2 3.41Å; L148-T184 VanDerWaalsContact CD2-CG2 3.41Å; L148-T184 HydrophobicContact CG-CG2 4.27Å; E180-T184 WeakPolarHBondContact O-CB 3.35Å; E180-T184 PolarHBondContact O-N 3.5Å; E180-T184 PolarHBondContact O-OG1 3.33Å; V181-T184 PolarHBondContact O-N 3.41Å; L182-T184 VanDerWaalsContact C-N 3.28Å; L182-T184 PolarHBondContact O-N 3.27Å; T184-G188 PolarHBondContact O-N 3.04Å |
| 185 | I | 91.2 | Very high | 86.7 | Confident | 5 Ų | 5 | 53 Ų | 53 | 3% | 0.026 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -67.8 | -45.4 | 171.5 | -73.5 | 161.6 | 0 | 0 | 0 | 110.4 | I101 I110 V181 L182 D183 G188 K189 F210 | I101-I185 HydrophobicContact CD1-CG2 4.07Å; I110-I185 HydrophobicContact CG2-CD1 3.58Å; V181-I185 HydrophobicContact CG1-CD1 4.04Å; V181-I185 WeakPolarHBondContact O-CG1 3.28Å; V181-I185 PolarHBondContact O-N 3.07Å; L182-I185 HydrophobicContact CD2-CD1 4.41Å; L182-I185 CarbonylContact O-C 3.52Å; L182-I185 WeakPolarHBondContact O-CA 3.38Å; L182-I185 WeakPolarHBondContact O-CB 3.38Å; L182-I185 PolarHBondContact O-N 2.81Å; L182-I185 VanDerWaalsContact O-N 3.08Å; D183-I185 VanDerWaalsContact C-N 3.34Å; D183-I185 PolarHBondContact O-N 2.87Å; I185-G188 PolarHBondContact O-N 3.33Å; I185-K189 WeakPolarHBondContact O-CG 3.44Å; I185-K189 PolarHBondContact O-N 3.34Å; I185-F210 HydrophobicContact CD1-CE1 4.07Å; I185-F210 HydrophobicContact CD1-CE2 4.16Å; I185-F210 HydrophobicContact CD1-CZ 3.81Å; I185-F210 HydrophobicContact CG1-CD2 4.02Å; I185-F210 HydrophobicContact CG1-CE1 4.27Å; I185-F210 HydrophobicContact CG1-CE2 3.44Å; I185-F210 VanDerWaalsContact CG1-CE2 3.44Å; I185-F210 HydrophobicContact CG1-CZ 3.6Å |
| 186 | E | 90.8 | Very high | 84.6 | Confident | 106 Ų | 106 | 54.2 Ų | 54.2 | 50% | 0.495 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -64 | -42.2 | 177.9 | -70.6 | -164.5 | 173.3 | 0 | 0 | 112.3 | I101 L182 D183 G188 K189 A190 | I101-E186 HydrophobicContact CD1-CG 4.34Å; L182-E186 PolarHBondContact O-N 2.82Å; D183-E186 PolarHBondContact O-N 3.26Å; E186-G188 PolarHBondContact O-N 2.93Å; E186-K189 WeakPolarHBondContact O-CB 2.95Å; E186-K189 PolarHBondContact O-N 2.93Å; E186-A190 PolarHBondContact O-N 2.67Å |
| 187 | E | 91.7 | Very high | 82.4 | Confident | 72 Ų | 72 | 56.3 Ų | 56.3 | 34% | 0.336 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -59.1 | -47.6 | 172.4 | -168.1 | -167.3 | 138.6 | 0 | 0 | 111.2 | R173 D183 K189 A190 N191 | R173-E187 IonicContact CZ-OE1 3.19Å; R173-E187 IonicContact CZ-OE2 2.66Å; R173-E187 IonicContact NH1-OE1 2.94Å; R173-E187 IonicContact NH1-OE2 2.7Å; R173-E187 PolarHBondContact NH1-OE2 3.26Å; R173-E187 IonicContact NH2-OE1 2.75Å; R173-E187 PolarHBondContact NH2-OE1 3.19Å; R173-E187 IonicContact NH2-OE2 3.62Å; R173-E187 PolarHBondContact NH2-OE2 3.41Å; D183-E187 WeakPolarHBondContact O-CB 3.45Å; D183-E187 PolarHBondContact O-N 3.47Å; E187-K189 VanDerWaalsContact C-N 3.28Å; E187-K189 PolarHBondContact O-N 3.39Å; E187-A190 PolarHBondContact O-N 2.81Å; E187-A190 VanDerWaalsContact O-N 3.15Å; E187-N191 WeakPolarHBondContact O-CB 3.45Å; E187-N191 PolarHBondContact O-N 3.18Å; E187-N191 PolarHBondContact O-ND2 3.1Å |
| 188 | G | 90.6 | Very high | 79.8 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -61.4 | -34.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | L147 T184 I185 E186 R192 | L147-G188 WeakPolarHBondContact O-CA 3.31Å; T184-G188 PolarHBondContact O-N 3.04Å; I185-G188 PolarHBondContact O-N 3.33Å; E186-G188 PolarHBondContact O-N 2.93Å; G188-R192 WeakPolarHBondContact O-CB 3.23Å; G188-R192 PolarHBondContact O-N 2.95Å |
| 189 | K | 85.8 | Confident | 77.2 | Confident | 55 Ų | 55 | 70.2 Ų | 70.2 | 24% | 0.239 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -68.8 | -43.9 | 171.9 | -70.6 | -178 | -162.7 | -161 | 0 | 112.2 | E98 I185 E186 E187 N191 R192 H193 | E98-K189 VanDerWaalsContact OE1-CE 3.27Å; E98-K189 WeakPolarHBondContact OE1-CE 3.38Å; E98-K189 IonicContact OE1-NZ 2.64Å; E98-K189 WeakPolarHBondContact OE2-CE 3.49Å; E98-K189 IonicContact OE2-NZ 3.61Å; E98-K189 PolarHBondContact OE2-NZ 2.84Å; I185-K189 WeakPolarHBondContact O-CG 3.44Å; I185-K189 PolarHBondContact O-N 3.34Å; E186-K189 WeakPolarHBondContact O-CB 2.95Å; E186-K189 PolarHBondContact O-N 2.93Å; E187-K189 VanDerWaalsContact C-N 3.28Å; E187-K189 PolarHBondContact O-N 3.39Å; K189-N191 VanDerWaalsContact C-N 3.31Å; K189-N191 PolarHBondContact O-N 3.17Å; K189-R192 WeakPolarHBondContact O-CB 3.37Å; K189-R192 PolarHBondContact O-N 3.32Å; K189-H193 WeakPolarHBondContact O-CB 3.49Å; K189-H193 PolarHBondContact O-N 2.78Å |
| 190 | A | 86.4 | Confident | 74.9 | Confident | 47 Ų | 47 | 67.2 Ų | 67.2 | 39% | 0.388 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -60.3 | -44.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | E186 E187 H193 I194 | E186-A190 PolarHBondContact O-N 2.67Å; E187-A190 PolarHBondContact O-N 2.81Å; E187-A190 VanDerWaalsContact O-N 3.15Å; A190-H193 PolarHBondContact O-N 2.97Å; A190-H193 VanDerWaalsContact O-N 3.12Å; A190-I194 VanDerWaalsContact O-CG1 3.31Å; A190-I194 WeakPolarHBondContact O-CG1 3.49Å; A190-I194 PolarHBondContact O-N 3.26Å |
| 191 | N | 87.2 | Confident | 72.9 | Confident | 22 Ų | 22 | 69.3 Ų | 69.3 | 12% | 0.118 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -62.9 | -42.9 | 176.4 | -66.8 | -12.9 | 0 | 0 | 0 | 111.9 | L147 I150 E187 K189 H193 I194 A195 | L147-N191 WeakPolarHBondContact O-CB 3.3Å; L147-N191 PolarHBondContact O-ND2 2.89Å; I150-N191 HydrophobicContact CD1-CB 3.94Å; I150-N191 WeakPolarHBondContact CD1-OD1 3.41Å; I150-N191 HydrophobicContact CG1-CB 3.8Å; E187-N191 WeakPolarHBondContact O-CB 3.45Å; E187-N191 PolarHBondContact O-N 3.18Å; E187-N191 PolarHBondContact O-ND2 3.1Å; K189-N191 VanDerWaalsContact C-N 3.31Å; K189-N191 PolarHBondContact O-N 3.17Å; N191-H193 VanDerWaalsContact C-N 3.28Å; N191-H193 PolarHBondContact O-N 3.07Å; N191-I194 PolarHBondContact O-N 2.84Å; N191-A195 PolarHBondContact O-N 3.04Å |
| 192 | R | 84 | Confident | 71.2 | Confident | 25 Ų | 25 | 71.4 Ų | 71.4 | 9% | 0.094 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -60.4 | -35.1 | 172.1 | -173.1 | 179.5 | 175.2 | 113.4 | -15.8 | 112.5 | E138 L147 G188 K189 S203 S206 S208 | E138-R192 IonicContact OE2-CZ 2.63Å; E138-R192 IonicContact OE2-NE 3.42Å; E138-R192 IonicContact OE2-NH1 3.21Å; E138-R192 PolarHBondContact OE2-NH1 3.48Å; L147-R192 HydrophobicContact CD1-CB 4.44Å; L147-R192 HydrophobicContact CD2-CB 3.81Å; L147-R192 HydrophobicContact CD2-CG 4.41Å; G188-R192 WeakPolarHBondContact O-CB 3.23Å; G188-R192 PolarHBondContact O-N 2.95Å; K189-R192 WeakPolarHBondContact O-CB 3.37Å; K189-R192 PolarHBondContact O-N 3.32Å; R192-S203 PolarHBondContact NH2-O 3.32Å; R192-S206 PolarHBondContact NH1-OG 3.28Å; R192-S206 VanDerWaalsContact NH1-OG 3.14Å; R192-S206 PolarHBondContact NH2-O 3.33Å; R192-S206 PolarHBondContact NH2-OG 2.67Å; R192-S208 PolarHBondContact NH1-OG 2.88Å; R192-S208 PolarHBondContact NH2-OG 3.5Å; R192-S208 VanDerWaalsContact NH2-OG 3.15Å |
| 193 | H | 66.8 | Low | 70.2 | Confident | 144 Ų | 144 | 73.1 Ų | 73.1 | 67% | 0.667 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -77.6 | -38.8 | 178.4 | -167.9 | -63.1 | 0 | 0 | 0 | 112.8 | K189 A190 N191 A195 V196 | K189-H193 WeakPolarHBondContact O-CB 3.49Å; K189-H193 PolarHBondContact O-N 2.78Å; A190-H193 PolarHBondContact O-N 2.97Å; A190-H193 VanDerWaalsContact O-N 3.12Å; N191-H193 VanDerWaalsContact C-N 3.28Å; N191-H193 PolarHBondContact O-N 3.07Å; H193-A195 VanDerWaalsContact C-N 3.26Å; H193-A195 PolarHBondContact O-N 2.96Å; H193-V196 VanDerWaalsContact O-CB 3.3Å; H193-V196 WeakPolarHBondContact O-CB 3.3Å; H193-V196 PolarHBondContact O-N 3.08Å |
| 194 | I | 61 | Low | 69.6 | Low | 116 Ų | 116 | 69.3 Ų | 69.3 | 60% | 0.595 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -64.6 | -31.6 | 179.8 | -70.8 | 161.6 | 0 | 0 | 0 | 111.7 | A190 N191 V196 | A190-I194 VanDerWaalsContact O-CG1 3.31Å; A190-I194 WeakPolarHBondContact O-CG1 3.49Å; A190-I194 PolarHBondContact O-N 3.26Å; N191-I194 PolarHBondContact O-N 2.84Å; I194-V196 PolarHBondContact O-N 3.12Å; I194-V196 VanDerWaalsContact O-N 3.09Å |
| 195 | A | 56.1 | Low | 69.2 | Low | 52 Ų | 52 | 71 Ų | 71 | 43% | 0.43 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -14.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | N191 H193 T197 | N191-A195 PolarHBondContact O-N 3.04Å; H193-A195 VanDerWaalsContact C-N 3.26Å; H193-A195 PolarHBondContact O-N 2.96Å; A195-T197 PolarHBondContact O-N 2.98Å |
| 196 | V | 51 | Low | 69.1 | Low | 40 Ų | 40 | 70.8 Ų | 70.8 | 24% | 0.242 | 38% | 0.377 | C | S | . | . | trans | -90.9 | 86.5 | 179.1 | -168.8 | 0 | 0 | 0 | 0 | 110.8 | H193 I194 N198 N200 H202 | H193-V196 VanDerWaalsContact O-CB 3.3Å; H193-V196 WeakPolarHBondContact O-CB 3.3Å; H193-V196 PolarHBondContact O-N 3.08Å; I194-V196 PolarHBondContact O-N 3.12Å; I194-V196 VanDerWaalsContact O-N 3.09Å; V196-N198 PolarHBondContact O-N 3.17Å; V196-N200 WeakPolarHBondContact CG1-O 3.45Å; V196-H202 HydrophobicContact CG2-CB 4.05Å | ||
| 197 | T | 43.9 | Very low | 69.2 | Low | 128 Ų | 128 | 65.9 Ų | 65.9 | 79% | 0.785 | 35% | 0.354 | S | S | * | . | trans | -71.7 | 76.3 | 164.6 | 41.8 | 0 | 0 | 0 | 0 | 111.4 | A195 M199 | A195-T197 PolarHBondContact O-N 2.98Å; T197-M199 VanDerWaalsContact C-N 3.34Å; T197-M199 PolarHBondContact O-N 3.36Å | ||
| 198 | N | 39.6 | Very low | 69.2 | Low | 167 Ų | 167 | 62.8 Ų | 62.8 | 89% | 0.893 | 34% | 0.34 | S | S | * | . | S | Bend | trans | 54.4 | 23.6 | 150.2 | -137.1 | 17.7 | 0 | 0 | 0 | 119.1 | V196 | V196-N198 PolarHBondContact O-N 3.17Š|
| 199 | M | 38.6 | Very low | 69.4 | Low | 161 Ų | 161 | 62.8 Ų | 62.8 | 79% | 0.793 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -140.6 | -4.8 | 178.2 | -141.5 | 172.5 | 79.1 | 0 | 0 | 118.4 | T197 | T197-M199 VanDerWaalsContact C-N 3.34Å; T197-M199 PolarHBondContact O-N 3.36Å |
| 200 | N | 43.2 | Very low | 69.9 | Low | 50 Ų | 50 | 60.3 Ų | 60.3 | 27% | 0.267 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -160.5 | 149 | 167.5 | -96.8 | -50.9 | 0 | 0 | 0 | 112.3 | V196 H202 R205 | V196-N200 WeakPolarHBondContact CG1-O 3.45Å; N200-H202 VanDerWaalsContact C-N 3.25Å; N200-H202 PolarHBondContact O-N 3.2Å; N200-R205 PolarHBondContact OD1-NH2 3.45Å |
| 201 | E | 52 | Low | 70.4 | Confident | 122 Ų | 122 | 59.3 Ų | 59.3 | 57% | 0.57 | 32% | 0.317 | S | S | * | . | trans | -72.6 | 67.5 | 179.1 | -168.8 | -177.8 | 174.8 | 0 | 0 | 112.2 | S203 S204 | E201-S203 PolarHBondContact O-N 3.16Å; E201-S203 VanDerWaalsContact O-N 3.12Å; E201-S204 PolarHBondContact O-N 3.5Å; E201-S204 PolarHBondContact O-OG 3.01Å | ||
| 202 | H | 58.7 | Low | 70.8 | Confident | 46 Ų | 46 | 58.4 Ų | 58.4 | 21% | 0.213 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -58.2 | -26.5 | -174.9 | -75.1 | -55.2 | 0 | 0 | 0 | 114 | Y140 V196 N200 S204 R205 S206 E252 | Y140-H202 AromaticContact CE2-ND1 3.57Å; Y140-H202 AromaticContact CZ-CE1 3.73Å; Y140-H202 AromaticContact CZ-ND1 3.55Å; Y140-H202 PolarHBondContact OH-CE1 2.95Å; Y140-H202 PolarHBondContact OH-ND1 3.35Å; V196-H202 HydrophobicContact CG2-CB 4.05Å; N200-H202 VanDerWaalsContact C-N 3.25Å; N200-H202 PolarHBondContact O-N 3.2Å; H202-S204 PolarHBondContact O-N 3.49Å; H202-R205 WeakPolarHBondContact O-CA 3.49Å; H202-R205 WeakPolarHBondContact O-CB 3.24Å; H202-R205 PolarHBondContact O-N 3.26Å; H202-S206 PolarHBondContact O-N 3Å; H202-S206 VanDerWaalsContact O-N 3.12Å; H202-S206 PolarHBondContact O-OG 2.89Å; H202-E252 IonicContact CE1-OE1 3.99Å; H202-E252 IonicContact ND1-OE1 2.75Å; H202-E252 PolarHBondContact ND1-OE1 2.95Å |
| 203 | S | 70.4 | Confident | 71.4 | Confident | 63 Ų | 63 | 58 Ų | 58 | 44% | 0.441 | 31% | 0.313 | S | S | . | . | G | 310 helix | trans | -59.6 | -28.2 | 179.7 | 54.6 | 0 | 0 | 0 | 0 | 113.8 | R192 E201 R205 | R192-S203 PolarHBondContact NH2-O 3.32Å; E201-S203 PolarHBondContact O-N 3.16Å; E201-S203 VanDerWaalsContact O-N 3.12Å; S203-R205 VanDerWaalsContact C-N 3.32Å |
| 204 | S | 80.5 | Confident | 72.7 | Confident | 23 Ų | 23 | 51.2 Ų | 51.2 | 16% | 0.161 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -78.1 | -16.5 | 174.7 | 65.7 | 0 | 0 | 0 | 0 | 113.8 | E201 H202 A235 G236 | E201-S204 PolarHBondContact O-N 3.5Å; E201-S204 PolarHBondContact O-OG 3.01Å; H202-S204 PolarHBondContact O-N 3.49Å; S204-A235 WeakPolarHBondContact O-CA 3.43Å; S204-G236 PolarHBondContact O-N 2.98Å |
| 205 | R | 82.8 | Confident | 74.3 | Confident | 47 Ų | 47 | 51.7 Ų | 51.7 | 18% | 0.177 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.7 | -16.4 | -166.3 | -72.6 | -173.5 | -173.5 | 165.2 | 5.9 | 114.2 | Y140 N200 H202 S203 A235 E252 I256 | Y140-R205 HydrophobicContact CE2-CB 4.3Å; N200-R205 PolarHBondContact OD1-NH2 3.45Å; H202-R205 WeakPolarHBondContact O-CA 3.49Å; H202-R205 WeakPolarHBondContact O-CB 3.24Å; H202-R205 PolarHBondContact O-N 3.26Å; S203-R205 VanDerWaalsContact C-N 3.32Å; R205-A235 WeakPolarHBondContact O-CB 3.41Å; R205-E252 WeakPolarHBondContact CD-OE1 3.21Å; R205-E252 IonicContact CZ-OE1 2.68Å; R205-E252 IonicContact NE-OE1 3.62Å; R205-E252 IonicContact NH1-OE1 3.59Å; R205-E252 PolarHBondContact NH1-OE1 3.08Å; R205-E252 IonicContact NH1-OE2 3.43Å; R205-E252 PolarHBondContact NH1-OE2 3.47Å; R205-I256 HydrophobicContact CB-CD1 3.5Å; R205-I256 HydrophobicContact CB-CG1 4.33Å; R205-I256 HydrophobicContact CG-CD1 3.63Å |
| 206 | S | 89.4 | Confident | 76 | Confident | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.007 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -102.7 | 143.4 | 172.8 | 59.1 | 0 | 0 | 0 | 0 | 112.3 | E138 I139 R192 H202 | E138-S206 VanDerWaalsContact OE2-CB 3.23Å; E138-S206 WeakPolarHBondContact OE2-CB 3.22Å; E138-S206 PolarHBondContact OE2-OG 3.34Å; I139-S206 WeakPolarHBondContact O-CA 3.32Å; R192-S206 PolarHBondContact NH1-OG 3.28Å; R192-S206 VanDerWaalsContact NH1-OG 3.14Å; R192-S206 PolarHBondContact NH2-O 3.33Å; R192-S206 PolarHBondContact NH2-OG 2.67Å; H202-S206 PolarHBondContact O-N 3Å; H202-S206 VanDerWaalsContact O-N 3.12Å; H202-S206 PolarHBondContact O-OG 2.89Å |
| 207 | H | 92.4 | Very high | 77.8 | Confident | 3 Ų | 3 | 50.6 Ų | 50.6 | 1% | 0.014 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 124.9 | 173.4 | -49.6 | -78 | 0 | 0 | 0 | 109.1 | E138 I139 D233 L234 A235 S259 L285 | E138-H207 CarbonylContact C-O 3.49Å; E138-H207 WeakPolarHBondContact CA-O 3.2Å; E138-H207 WeakPolarHBondContact CB-O 3.27Å; I139-H207 HydrophobicContact CB-CB 4.28Å; I139-H207 PolarHBondContact N-O 3.26Å; I139-H207 PolarHBondContact O-CD2 2.96Å; I139-H207 PolarHBondContact O-N 2.64Å; H207-D233 CarbonylContact C-O 3.48Å; H207-D233 WeakPolarHBondContact CA-O 3.47Å; H207-L234 HydrophobicContact CB-CD2 4.33Å; H207-L234 WeakPolarHBondContact ND1-CA 3.11Å; H207-L234 WeakPolarHBondContact ND1-CD2 3.48Å; H207-A235 PolarHBondContact CE1-N 2.96Å; H207-A235 PolarHBondContact ND1-N 3.04Å; H207-S259 PolarHBondContact NE2-OG 2.79Å; H207-L285 HydrophobicContact CB-CD1 4.37Å |
| 208 | S | 92.8 | Very high | 79.8 | Confident | 6 Ų | 6 | 45.5 Ų | 45.5 | 4% | 0.042 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 130.7 | 170.1 | -51.6 | 0 | 0 | 0 | 0 | 109.8 | R192 V232 D233 | R192-S208 PolarHBondContact NH1-OG 2.88Å; R192-S208 PolarHBondContact NH2-OG 3.5Å; R192-S208 VanDerWaalsContact NH2-OG 3.15Å; S208-V232 WeakPolarHBondContact O-CA 3.34Å; S208-D233 PolarHBondContact N-O 3.11Å; S208-D233 PolarHBondContact O-N 2.78Å |
| 209 | V | 95.5 | Very high | 81.8 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 107.4 | 171.5 | -177.4 | 0 | 0 | 0 | 0 | 108.7 | F137 I139 Y230 V232 | F137-V209 HydrophobicContact CD2-CB 3.98Å; F137-V209 HydrophobicContact CD2-CG2 4.42Å; F137-V209 HydrophobicContact CE1-CB 4.22Å; F137-V209 HydrophobicContact CE1-CG1 3.94Å; F137-V209 HydrophobicContact CE2-CB 3.53Å; F137-V209 HydrophobicContact CE2-CG1 3.85Å; F137-V209 HydrophobicContact CE2-CG2 3.83Å; F137-V209 HydrophobicContact CZ-CB 3.67Å; F137-V209 HydrophobicContact CZ-CG1 3.45Å; F137-V209 VanDerWaalsContact CZ-CG1 3.45Å; F137-V209 HydrophobicContact CZ-CG2 4.3Å; F137-V209 PolarHBondContact N-O 2.83Å; F137-V209 VanDerWaalsContact N-O 3.1Å; F137-V209 PolarHBondContact O-N 2.94Å; I139-V209 HydrophobicContact CD1-CG2 4.4Å; V209-Y230 HydrophobicContact CG1-CD1 4.04Å; V209-V232 HydrophobicContact CG1-CG2 4.33Å; V209-V232 HydrophobicContact CG2-CG1 4.28Å; V209-V232 HydrophobicContact CG2-CG2 4.41Å |
| 210 | F | 96 | Very high | 83.9 | Confident | 4 Ų | 4 | 39.1 Ų | 39.1 | 2% | 0.018 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 120.1 | 170.9 | -168.9 | -100.2 | 0 | 0 | 0 | 108.5 | I134 Y136 V181 I185 I212 L231 | I134-F210 HydrophobicContact CB-CE2 4.45Å; I134-F210 HydrophobicContact CB-CZ 3.96Å; I134-F210 HydrophobicContact CD1-CE2 4.45Å; I134-F210 HydrophobicContact CD1-CZ 4.06Å; I134-F210 HydrophobicContact CG2-CE1 4.28Å; I134-F210 HydrophobicContact CG2-CZ 3.98Å; Y136-F210 AromaticContact CD1-CD2 3.94Å; Y136-F210 HydrophobicContact CD1-CD2 3.94Å; Y136-F210 HydrophobicContact CD1-CE2 4.34Å; Y136-F210 HydrophobicContact CD2-CB 4.1Å; Y136-F210 AromaticContact CD2-CD2 3.83Å; Y136-F210 HydrophobicContact CD2-CD2 3.83Å; Y136-F210 HydrophobicContact CD2-CG 4.49Å; Y136-F210 HydrophobicContact CE2-CB 4.32Å; Y136-F210 HydrophobicContact CE2-CD2 4.41Å; Y136-F210 AromaticContact CG-CD2 3.58Å; Y136-F210 HydrophobicContact CG-CD2 3.58Å; Y136-F210 HydrophobicContact CG-CE2 4.24Å; V181-F210 HydrophobicContact CG1-CE1 4.13Å; V181-F210 HydrophobicContact CG1-CZ 3.82Å; I185-F210 HydrophobicContact CD1-CE1 4.07Å; I185-F210 HydrophobicContact CD1-CE2 4.16Å; I185-F210 HydrophobicContact CD1-CZ 3.81Å; I185-F210 HydrophobicContact CG1-CD2 4.02Å; I185-F210 HydrophobicContact CG1-CE1 4.27Å; I185-F210 HydrophobicContact CG1-CE2 3.44Å; I185-F210 VanDerWaalsContact CG1-CE2 3.44Å; I185-F210 HydrophobicContact CG1-CZ 3.6Å; F210-I212 HydrophobicContact CD1-CD1 4.39Å; F210-I212 HydrophobicContact CD1-CG1 3.95Å; F210-I212 HydrophobicContact CE1-CD1 3.95Å; F210-I212 HydrophobicContact CE1-CG1 3.6Å; F210-L231 HydrophobicContact CB-CB 4.25Å; F210-L231 HydrophobicContact CD1-CD1 4.01Å; F210-L231 PolarHBondContact N-O 3.07Å; F210-L231 WeakPolarHBondContact O-CB 3.39Å; F210-L231 PolarHBondContact O-N 3.13Å |
| 211 | L | 96.2 | Very high | 85.7 | Confident | 25 Ų | 25 | 40.2 Ų | 40.2 | 13% | 0.131 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 121.1 | -176.7 | 170.1 | 59.6 | 0 | 0 | 0 | 109.2 | I134 S135 K228 L229 Y230 | I134-L211 CarbonylContact C-O 3.59Å; I134-L211 VanDerWaalsContact CA-O 3.29Å; I134-L211 WeakPolarHBondContact CA-O 3.38Å; S135-L211 PolarHBondContact N-O 3.31Å; S135-L211 PolarHBondContact O-N 3.47Å; L211-K228 HydrophobicContact CD1-CB 4.1Å; L211-L229 WeakPolarHBondContact CA-O 3.47Å; L211-Y230 HydrophobicContact CD1-CD1 3.99Å; L211-Y230 HydrophobicContact CD1-CD2 4.04Å; L211-Y230 HydrophobicContact CD1-CE1 3.86Å; L211-Y230 HydrophobicContact CD1-CE2 3.9Å; L211-Y230 HydrophobicContact CD1-CG 4.08Å; L211-Y230 HydrophobicContact CD2-CE1 4.07Å; L211-Y230 HydrophobicContact CG-CE1 4.39Å |
| 212 | I | 96.6 | Very high | 87 | Confident | 3 Ų | 3 | 38.7 Ų | 38.7 | 2% | 0.015 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 118.8 | 168.6 | -49.4 | 177.5 | 0 | 0 | 0 | 107.6 | I113 V114 I117 I132 I134 F210 I214 L229 L231 | I113-I212 HydrophobicContact CG2-CD1 4.37Å; V114-I212 HydrophobicContact CG2-CD1 4.2Å; I117-I212 HydrophobicContact CD1-CD1 4.05Å; I132-I212 HydrophobicContact CG2-CG2 3.88Å; I134-I212 HydrophobicContact CG2-CB 4.48Å; I134-I212 HydrophobicContact CG2-CG1 4.13Å; I134-I212 HydrophobicContact CG2-CG2 4.27Å; F210-I212 HydrophobicContact CD1-CD1 4.39Å; F210-I212 HydrophobicContact CD1-CG1 3.95Å; F210-I212 HydrophobicContact CE1-CD1 3.95Å; F210-I212 HydrophobicContact CE1-CG1 3.6Å; I212-I214 HydrophobicContact CG2-CG1 4.03Å; I212-L229 HydrophobicContact CB-CB 4.36Å; I212-L229 PolarHBondContact N-O 2.94Å; I212-L229 PolarHBondContact O-N 3.47Å; I212-L231 HydrophobicContact CD1-CD1 3.89Å; I212-L231 HydrophobicContact CG1-CD1 4.34Å |
| 213 | S | 95.4 | Very high | 88.1 | Confident | 16 Ų | 16 | 39.7 Ų | 39.7 | 11% | 0.112 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 110.5 | 173.3 | 169.8 | 0 | 0 | 0 | 0 | 108.7 | K133 | K133-S213 PolarHBondContact N-O 3.16Å; K133-S213 PolarHBondContact O-N 3.38Å |
| 214 | I | 95.3 | Very high | 89 | Confident | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.01 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 126.2 | 174.7 | -52.1 | -177.5 | 0 | 0 | 0 | 108.1 | V75 L76 I117 F130 I212 S226 G227 | V75-I214 HydrophobicContact CG1-CD1 4.04Å; V75-I214 HydrophobicContact CG1-CG1 4.45Å; L76-I214 HydrophobicContact CD2-CD1 3.79Å; L76-I214 HydrophobicContact CD2-CG2 4.36Å; I117-I214 HydrophobicContact CD1-CD1 4.14Å; I117-I214 HydrophobicContact CG1-CD1 4.25Å; I117-I214 HydrophobicContact CG2-CD1 3.66Å; F130-I214 HydrophobicContact CD1-CG2 4.02Å; I212-I214 HydrophobicContact CG2-CG1 4.03Å; I214-S226 WeakPolarHBondContact O-CA 3.21Å; I214-G227 PolarHBondContact N-O 3.14Å; I214-G227 PolarHBondContact O-N 3.09Å |
| 215 | R | 93.5 | Very high | 89.6 | Confident | 127 Ų | 127 | 40 Ų | 40 | 48% | 0.479 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 128.1 | 163 | -66.7 | 179 | 177.4 | -167.5 | -6.3 | 108.8 | F130 H131 L225 | F130-R215 WeakPolarHBondContact CA-O 3.43Å; H131-R215 HydrophobicContact CB-CB 4.25Å; H131-R215 PolarHBondContact N-O 3.47Å; H131-R215 PolarHBondContact O-N 3.41Å; R215-L225 WeakPolarHBondContact CA-O 3.48Å |
| 216 | Q | 91.1 | Very high | 90.1 | Very high | 29 Ų | 29 | 38.6 Ų | 38.6 | 14% | 0.136 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 133.8 | 173.5 | 175.3 | -171.8 | -7.5 | 0 | 0 | 108 | L76 L128 E129 F130 K224 L225 | L76-Q216 PolarHBondContact O-OE1 3.38Å; L76-Q216 VanDerWaalsContact O-OE1 3.11Å; L128-Q216 VanDerWaalsContact CD1-NE2 3.3Å; L128-Q216 HydrophobicContact CD2-CG 4.21Å; L128-Q216 VanDerWaalsContact CD2-NE2 3.32Å; E129-Q216 CarbonylContact O-C 3.58Å; E129-Q216 WeakPolarHBondContact O-CA 3.42Å; F130-Q216 HydrophobicContact CD1-CB 4Å; F130-Q216 HydrophobicContact CD1-CG 4.28Å; F130-Q216 HydrophobicContact CE1-CB 3.68Å; F130-Q216 HydrophobicContact CE1-CG 3.63Å; F130-Q216 HydrophobicContact CZ-CB 4.38Å; F130-Q216 HydrophobicContact CZ-CG 3.82Å; Q216-K224 CarbonylContact O-C 3.6Å; Q216-K224 VanDerWaalsContact O-CA 3.31Å; Q216-K224 WeakPolarHBondContact O-CA 3.35Å; Q216-L225 HydrophobicContact CB-CB 4.33Å; Q216-L225 PolarHBondContact N-O 2.67Å; Q216-L225 PolarHBondContact O-N 3.06Å |
| 217 | E | 89.9 | Confident | 90.3 | Very high | 39 Ų | 39 | 38.7 Ų | 38.7 | 18% | 0.182 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 120.5 | 176.3 | 178.5 | 158.8 | -179.9 | 0 | 0 | 108.7 | E129 K224 | E129-E217 HydrophobicContact CB-CB 4.46Å; E129-E217 PolarHBondContact N-O 2.96Å; E129-E217 PolarHBondContact O-N 2.95Å; E217-K224 HydrophobicContact CB-CG 4.25Å; E217-K224 HydrophobicContact CG-CG 4.03Å; E217-K224 WeakPolarHBondContact OE1-CE 3.17Å; E217-K224 IonicContact OE1-NZ 3.19Å; E217-K224 PolarHBondContact OE1-NZ 3.25Å; E217-K224 IonicContact OE2-NZ 3.74Å; E217-K224 PolarHBondContact OE2-NZ 3.1Å |
| 218 | N | 85.9 | Confident | 90.4 | Very high | 21 Ų | 21 | 41 Ų | 41 | 11% | 0.112 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 118 | 174.2 | 177.5 | -80.8 | 0 | 0 | 0 | 108.9 | N127 L128 E220 T221 Q222 K223 | N127-N218 PolarHBondContact ND2-ND2 3.2Å; N127-N218 CarbonylContact O-C 3.59Å; N127-N218 WeakPolarHBondContact O-CA 2.97Å; L128-N218 HydrophobicContact CD2-CB 3.58Å; L128-N218 WeakPolarHBondContact CD2-ND2 3.41Å; N218-E220 VanDerWaalsContact C-N 3.28Å; N218-E220 PolarHBondContact O-N 2.88Å; N218-E220 PolarHBondContact OD1-N 3.4Å; N218-T221 WeakPolarHBondContact CB-OG1 3.49Å; N218-T221 WeakPolarHBondContact OD1-CB 3.43Å; N218-T221 PolarHBondContact OD1-N 3.33Å; N218-T221 PolarHBondContact OD1-OG1 2.82Å; N218-Q222 WeakPolarHBondContact O-CA 3.36Å; N218-Q222 PolarHBondContact O-N 3.4Å; N218-K223 PolarHBondContact N-O 3.44Å |
| 219 | A | 81.9 | Confident | 90.6 | Very high | 44 Ų | 44 | 40.7 Ų | 40.7 | 36% | 0.364 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -33.3 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | N127 Q222 | N127-A219 PolarHBondContact O-N 2.98Å; A219-Q222 PolarHBondContact O-NE2 3.43Å |
| 220 | E | 81.8 | Confident | 90.6 | Very high | 150 Ų | 150 | 41.3 Ų | 41.3 | 70% | 0.701 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | -44.1 | -175.1 | -60.7 | 178.2 | 131.2 | 0 | 0 | 112.9 | N127 N218 | N127-E220 HydrophobicContact CB-CG 4.18Å; N127-E220 PolarHBondContact ND2-OE2 3.29Å; N218-E220 VanDerWaalsContact C-N 3.28Å; N218-E220 PolarHBondContact O-N 2.88Å; N218-E220 PolarHBondContact OD1-N 3.4Å |
| 221 | T | 80.8 | Confident | 90.7 | Very high | 74 Ų | 74 | 41.3 Ų | 41.3 | 45% | 0.454 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | -13.7 | -178.8 | 60.7 | 0 | 0 | 0 | 0 | 113.1 | N218 K223 | N218-T221 WeakPolarHBondContact CB-OG1 3.49Å; N218-T221 WeakPolarHBondContact OD1-CB 3.43Å; N218-T221 PolarHBondContact OD1-N 3.33Å; N218-T221 PolarHBondContact OD1-OG1 2.82Å; T221-K223 PolarHBondContact O-N 2.86Å; T221-K223 VanDerWaalsContact O-N 3.09Å |
| 222 | Q | 79.3 | Confident | 90.6 | Very high | 89 Ų | 89 | 40.1 Ų | 40.1 | 42% | 0.416 | 20% | 0.197 | S | C | . | . | trans | 58.4 | 14.1 | -174.2 | -64.9 | -74.3 | -56.5 | 0 | 0 | 114 | N218 A219 T339 | N218-Q222 WeakPolarHBondContact O-CA 3.36Å; N218-Q222 PolarHBondContact O-N 3.4Å; A219-Q222 PolarHBondContact O-NE2 3.43Å; Q222-T339 HydrophobicContact CB-CG2 3.57Å; Q222-T339 VanDerWaalsContact O-CG2 3.27Å; Q222-T339 WeakPolarHBondContact O-CG2 3.5Å | ||
| 223 | K | 82.6 | Confident | 90.6 | Very high | 68 Ų | 68 | 40.4 Ų | 40.4 | 30% | 0.296 | 20% | 0.199 | S | C | . | . | trans | -71.5 | 131.8 | 175.3 | 169.6 | 170.3 | 165.4 | 159.3 | 0 | 110.3 | N218 T221 E336 | N218-K223 PolarHBondContact N-O 3.44Å; T221-K223 PolarHBondContact O-N 2.86Å; T221-K223 VanDerWaalsContact O-N 3.09Å; K223-E336 WeakPolarHBondContact CE-OE1 3.4Å; K223-E336 IonicContact NZ-OE1 2.73Å; K223-E336 PolarHBondContact NZ-OE1 3.11Å | ||
| 224 | K | 89.6 | Confident | 90.5 | Very high | 69 Ų | 69 | 39.9 Ų | 39.9 | 30% | 0.3 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 132 | -179.7 | -63.4 | 167.7 | -161.2 | -101.5 | 0 | 110.5 | Q216 E217 E337 | Q216-K224 CarbonylContact O-C 3.6Å; Q216-K224 VanDerWaalsContact O-CA 3.31Å; Q216-K224 WeakPolarHBondContact O-CA 3.35Å; E217-K224 HydrophobicContact CB-CG 4.25Å; E217-K224 HydrophobicContact CG-CG 4.03Å; E217-K224 WeakPolarHBondContact OE1-CE 3.17Å; E217-K224 IonicContact OE1-NZ 3.19Å; E217-K224 PolarHBondContact OE1-NZ 3.25Å; E217-K224 IonicContact OE2-NZ 3.74Å; E217-K224 PolarHBondContact OE2-NZ 3.1Å; K224-E337 HydrophobicContact CB-CB 3.93Å; K224-E337 PolarHBondContact N-O 3.5Å; K224-E337 PolarHBondContact O-N 3.34Å |
| 225 | L | 92 | Very high | 90.3 | Very high | 24 Ų | 24 | 39.8 Ų | 39.8 | 13% | 0.126 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 143.7 | 173.2 | -63.1 | 178.2 | 0 | 0 | 0 | 109.1 | R215 Q216 V334 E336 | R215-L225 WeakPolarHBondContact CA-O 3.48Å; Q216-L225 HydrophobicContact CB-CB 4.33Å; Q216-L225 PolarHBondContact N-O 2.67Å; Q216-L225 PolarHBondContact O-N 3.06Å; L225-V334 HydrophobicContact CD2-CG1 3.85Å; L225-E336 HydrophobicContact CD2-CB 4.03Å; L225-E336 HydrophobicContact CD2-CG 4.07Å |
| 226 | S | 93.2 | Very high | 90.1 | Very high | 17 Ų | 17 | 34 Ų | 34 | 12% | 0.119 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 121 | 178 | -170.6 | 0 | 0 | 0 | 0 | 112.1 | G78 I214 N335 | G78-S226 CarbonylContact C-O 3.54Å; I214-S226 WeakPolarHBondContact O-CA 3.21Å; S226-N335 PolarHBondContact N-O 3.43Å; S226-N335 VanDerWaalsContact N-O 3.08Å; S226-N335 WeakPolarHBondContact O-CB 3.33Å; S226-N335 PolarHBondContact O-ND2 3.33Å |
| 227 | G | 94.1 | Very high | 90.1 | Very high | 2 Ų | 2 | 33.1 Ų | 33.1 | 2% | 0.021 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 125.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y79 I214 | Y79-G227 VanDerWaalsContact O-CA 3.28Å; Y79-G227 WeakPolarHBondContact O-CA 3.36Å; I214-G227 PolarHBondContact N-O 3.14Å; I214-G227 PolarHBondContact O-N 3.09Å |
| 228 | K | 95 | Very high | 89.9 | Confident | 52 Ų | 52 | 33 Ų | 33 | 23% | 0.226 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 125.1 | 168 | -62.4 | 176.7 | -168.8 | 164.5 | 0 | 109.7 | N80 G81 L211 Y230 E291 | N80-K228 CarbonylContact C-O 3.49Å; N80-K228 VanDerWaalsContact CA-O 3.31Å; N80-K228 WeakPolarHBondContact CA-O 3.48Å; N80-K228 WeakPolarHBondContact OD1-CB 3.38Å; N80-K228 PolarHBondContact OD1-N 3.31Å; G81-K228 PolarHBondContact N-O 3.41Å; L211-K228 HydrophobicContact CD1-CB 4.1Å; K228-Y230 HydrophobicContact CB-CD2 4.47Å; K228-Y230 HydrophobicContact CB-CE2 3.98Å; K228-Y230 HydrophobicContact CD-CE2 4.25Å; K228-E291 IonicContact NZ-OE2 3.76Å |
| 229 | L | 96.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 110.7 | 175 | 177.9 | 54.5 | 0 | 0 | 0 | 110.3 | I71 V75 G81 I113 I117 L211 I212 L231 | I71-L229 HydrophobicContact CG2-CD1 3.83Å; V75-L229 HydrophobicContact CG1-CB 4.13Å; V75-L229 HydrophobicContact CG2-CB 4.05Å; V75-L229 HydrophobicContact CG2-CD1 4.26Å; V75-L229 HydrophobicContact CG2-CD2 4.49Å; V75-L229 HydrophobicContact CG2-CG 4.5Å; G81-L229 WeakPolarHBondContact O-CA 3.34Å; I113-L229 HydrophobicContact CD1-CD2 4.31Å; I113-L229 HydrophobicContact CG2-CD2 3.64Å; I117-L229 HydrophobicContact CD1-CD2 4.24Å; L211-L229 WeakPolarHBondContact CA-O 3.47Å; I212-L229 HydrophobicContact CB-CB 4.36Å; I212-L229 PolarHBondContact N-O 2.94Å; I212-L229 PolarHBondContact O-N 3.47Å; L229-L231 HydrophobicContact CD1-CD2 4.13Å; L229-L231 HydrophobicContact CD2-CD1 4.46Å; L229-L231 HydrophobicContact CD2-CD2 4.39Å; L229-L231 HydrophobicContact CG-CD1 4.42Å; L229-L231 HydrophobicContact CG-CD2 4.11Å; L229-L231 HydrophobicContact CG-CG 4.09Å |
| 230 | Y | 96.6 | Very high | 89.4 | Confident | 13 Ų | 13 | 36.8 Ų | 36.8 | 5% | 0.051 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 122.4 | 174.3 | -69.4 | -94.6 | 0 | 0 | 0 | 110.5 | G81 T82 I83 V209 L211 K228 I288 | G81-Y230 PolarHBondContact O-N 3.03Å; T82-Y230 CarbonylContact C-O 3.55Å; T82-Y230 WeakPolarHBondContact CA-O 3.37Å; I83-Y230 PolarHBondContact N-O 2.96Å; V209-Y230 HydrophobicContact CG1-CD1 4.04Å; L211-Y230 HydrophobicContact CD1-CD1 3.99Å; L211-Y230 HydrophobicContact CD1-CD2 4.04Å; L211-Y230 HydrophobicContact CD1-CE1 3.86Å; L211-Y230 HydrophobicContact CD1-CE2 3.9Å; L211-Y230 HydrophobicContact CD1-CG 4.08Å; L211-Y230 HydrophobicContact CD2-CE1 4.07Å; L211-Y230 HydrophobicContact CG-CE1 4.39Å; K228-Y230 HydrophobicContact CB-CD2 4.47Å; K228-Y230 HydrophobicContact CB-CE2 3.98Å; K228-Y230 HydrophobicContact CD-CE2 4.25Å; Y230-I288 HydrophobicContact CE1-CG2 4.07Å |
| 231 | L | 96.8 | Very high | 89 | Confident | 3 Ų | 3 | 34.8 Ų | 34.8 | 2% | 0.016 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 108.2 | 178.3 | -61.5 | 167.8 | 0 | 0 | 0 | 107.5 | I83 M97 I110 I113 F210 I212 L229 | I83-L231 HydrophobicContact CB-CD2 4.04Å; I83-L231 HydrophobicContact CD1-CD2 3.96Å; I83-L231 HydrophobicContact CG1-CD2 4.3Å; M97-L231 HydrophobicContact CE-CB 3.97Å; M97-L231 HydrophobicContact CE-CD2 4.29Å; I110-L231 HydrophobicContact CD1-CB 4.31Å; I110-L231 HydrophobicContact CG1-CB 4.29Å; I110-L231 HydrophobicContact CG1-CD1 4.15Å; I110-L231 HydrophobicContact CG2-CD1 4.36Å; I113-L231 HydrophobicContact CD1-CD1 4.48Å; I113-L231 HydrophobicContact CD1-CD2 3.56Å; I113-L231 HydrophobicContact CG2-CD1 4.47Å; F210-L231 HydrophobicContact CB-CB 4.25Å; F210-L231 HydrophobicContact CD1-CD1 4.01Å; F210-L231 PolarHBondContact N-O 3.07Å; F210-L231 WeakPolarHBondContact O-CB 3.39Å; F210-L231 PolarHBondContact O-N 3.13Å; I212-L231 HydrophobicContact CD1-CD1 3.89Å; I212-L231 HydrophobicContact CG1-CD1 4.34Å; L229-L231 HydrophobicContact CD1-CD2 4.13Å; L229-L231 HydrophobicContact CD2-CD1 4.46Å; L229-L231 HydrophobicContact CD2-CD2 4.39Å; L229-L231 HydrophobicContact CG-CD1 4.42Å; L229-L231 HydrophobicContact CG-CD2 4.11Å; L229-L231 HydrophobicContact CG-CG 4.09Å |
| 232 | V | 95.7 | Very high | 88.5 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 115.7 | -163.7 | -174.8 | 0 | 0 | 0 | 0 | 111.2 | I83 F84 A85 S208 V209 L234 L289 | I83-V232 PolarHBondContact O-N 3.37Å; F84-V232 CarbonylContact C-O 3.52Å; F84-V232 HydrophobicContact CD1-CB 3.7Å; F84-V232 HydrophobicContact CD1-CG1 3.92Å; F84-V232 HydrophobicContact CD1-CG2 4.14Å; F84-V232 HydrophobicContact CE1-CB 4.04Å; F84-V232 HydrophobicContact CE1-CG1 4.17Å; F84-V232 HydrophobicContact CE1-CG2 3.99Å; A85-V232 PolarHBondContact N-O 3.37Å; S208-V232 WeakPolarHBondContact O-CA 3.34Å; V209-V232 HydrophobicContact CG1-CG2 4.33Å; V209-V232 HydrophobicContact CG2-CG1 4.28Å; V209-V232 HydrophobicContact CG2-CG2 4.41Å; V232-L234 HydrophobicContact CG1-CD2 3.55Å; V232-L234 HydrophobicContact CG1-CG 3.99Å; V232-L289 HydrophobicContact CG2-CD2 4.23Å |
| 233 | D | 94.7 | Very high | 87.9 | Confident | 10 Ų | 10 | 34 Ų | 34 | 5% | 0.053 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 108 | 167.6 | -170.8 | 9.8 | 0 | 0 | 0 | 108.5 | K93 T94 M97 H207 S208 | K93-D233 WeakPolarHBondContact CB-OD1 3.41Å; T94-D233 WeakPolarHBondContact CA-OD2 3.35Å; T94-D233 VanDerWaalsContact CB-OD2 3.22Å; T94-D233 WeakPolarHBondContact CB-OD2 3.42Å; T94-D233 PolarHBondContact N-OD2 3.1Å; T94-D233 PolarHBondContact OG1-OD2 3.14Å; M97-D233 HydrophobicContact CG-CB 4.26Å; H207-D233 CarbonylContact C-O 3.48Å; H207-D233 WeakPolarHBondContact CA-O 3.47Å; S208-D233 PolarHBondContact N-O 3.11Å; S208-D233 PolarHBondContact O-N 2.78Å |
| 234 | L | 93.8 | Very high | 87.1 | Confident | 5 Ų | 5 | 34 Ų | 34 | 3% | 0.026 | 20% | 0.196 | C | C | . | . | P | Polyproline II helix | trans | -78.1 | 160.5 | -176.1 | -63.6 | 172.4 | 0 | 0 | 0 | 111.3 | F84 A85 Y86 K93 H207 V232 L260 L263 L285 | F84-L234 HydrophobicContact CD1-CD1 4.43Å; A85-L234 WeakPolarHBondContact O-CB 3.4Å; A85-L234 PolarHBondContact O-N 3.2Å; Y86-L234 HydrophobicContact CD2-CD1 3.78Å; Y86-L234 HydrophobicContact CG-CD1 4.43Å; K93-L234 WeakPolarHBondContact CE-O 3.4Å; H207-L234 HydrophobicContact CB-CD2 4.33Å; H207-L234 WeakPolarHBondContact ND1-CA 3.11Å; H207-L234 WeakPolarHBondContact ND1-CD2 3.48Å; V232-L234 HydrophobicContact CG1-CD2 3.55Å; V232-L234 HydrophobicContact CG1-CG 3.99Å; L234-L260 HydrophobicContact CB-CD2 4.48Å; L234-L263 HydrophobicContact CD1-CD2 3.82Å; L234-L285 HydrophobicContact CD2-CD1 3.94Å; L234-L285 HydrophobicContact CD2-CD2 3.94Å |
| 235 | A | 90.9 | Very high | 85.9 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 19% | 0.189 | C | C | . | . | P | Polyproline II helix | trans | -62.2 | 164.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | S204 R205 H207 S237 I256 | S204-A235 WeakPolarHBondContact O-CA 3.43Å; R205-A235 WeakPolarHBondContact O-CB 3.41Å; H207-A235 PolarHBondContact CE1-N 2.96Å; H207-A235 PolarHBondContact ND1-N 3.04Å; A235-S237 PolarHBondContact O-N 2.69Å; A235-I256 HydrophobicContact CB-CG2 3.72Å |
| 236 | G | 90.4 | Very high | 85.1 | Confident | 4 Ų | 4 | 38.2 Ų | 38.2 | 4% | 0.041 | 22% | 0.22 | C | C | . | . | P | Polyproline II helix | trans | -52.8 | 126.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | T89 S204 E238 L260 | T89-G236 WeakPolarHBondContact OG1-CA 3.48Å; S204-G236 PolarHBondContact O-N 2.98Å; G236-E238 VanDerWaalsContact C-N 3.31Å; G236-E238 WeakPolarHBondContact CA-OE2 3.26Å; G236-E238 PolarHBondContact O-N 2.89Å; G236-L260 VanDerWaalsContact O-CD1 3.29Å; G236-L260 WeakPolarHBondContact O-CD1 3.34Å |
| 237 | S | 90.7 | Very high | 84.3 | Confident | 12 Ų | 12 | 40 Ų | 40 | 8% | 0.084 | 24% | 0.24 | C | C | . | . | trans | -86.9 | 9.2 | 179.5 | 74.9 | 0 | 0 | 0 | 0 | 115.1 | Y86 G87 Q88 A235 | Y86-S237 WeakPolarHBondContact OH-CB 3.4Å; G87-S237 WeakPolarHBondContact CA-OG 3.35Å; G87-S237 PolarHBondContact O-N 3.19Å; G87-S237 VanDerWaalsContact O-N 3.15Å; Q88-S237 PolarHBondContact N-OG 3.5Å; A235-S237 PolarHBondContact O-N 2.69Å | ||
| 238 | E | 85.8 | Confident | 83.3 | Confident | 37 Ų | 37 | 45.7 Ų | 45.7 | 17% | 0.173 | 28% | 0.275 | C | S | . | . | trans | -70.4 | 145 | 178.8 | 62.3 | -80.7 | -172.1 | 0 | 0 | 113.1 | Q88 T89 G236 N257 E314 | Q88-E238 WeakPolarHBondContact CA-OE2 3.38Å; Q88-E238 HydrophobicContact CB-CB 4.32Å; T89-E238 WeakPolarHBondContact CB-OE1 3.45Å; T89-E238 PolarHBondContact N-OE2 2.8Å; T89-E238 PolarHBondContact OG1-OE1 3.27Å; T89-E238 PolarHBondContact OG1-OE2 2.88Å; G236-E238 VanDerWaalsContact C-N 3.31Å; G236-E238 WeakPolarHBondContact CA-OE2 3.26Å; G236-E238 PolarHBondContact O-N 2.89Å; E238-N257 PolarHBondContact O-ND2 3.4Å; E238-E314 HydrophobicContact CB-CG 4.24Å | ||
| 239 | K | 80.9 | Confident | 82.1 | Confident | 113 Ų | 113 | 45.7 Ų | 45.7 | 49% | 0.491 | 28% | 0.277 | S | S | . | . | trans | -66.6 | 137.5 | 179.1 | -64.9 | 178.4 | -178.8 | 179.3 | 0 | 111.5 | S241 K242 | K239-S241 PolarHBondContact O-N 3.47Å; K239-K242 WeakPolarHBondContact O-CB 3.19Å; K239-K242 PolarHBondContact O-N 3.46Å | ||
| 240 | V | 77 | Confident | 81 | Confident | 30 Ų | 30 | 48.3 Ų | 48.3 | 18% | 0.182 | 29% | 0.291 | C | S | . | . | G | 310 helix | trans | -47.4 | -36.6 | 174.6 | -175.6 | 0 | 0 | 0 | 0 | 113 | K242 T243 L250 A253 N257 | V240-K242 PolarHBondContact O-N 3.08Å; V240-K242 VanDerWaalsContact O-N 3.12Å; V240-T243 PolarHBondContact O-N 3.46Å; V240-T243 VanDerWaalsContact O-N 3.08Å; V240-T243 PolarHBondContact O-OG1 2.64Å; V240-L250 HydrophobicContact CG1-CD1 3.41Å; V240-L250 VanDerWaalsContact CG1-CD1 3.41Å; V240-A253 HydrophobicContact CB-CB 4.45Å; V240-A253 HydrophobicContact CG1-CB 3.81Å; V240-A253 HydrophobicContact CG2-CB 4.08Å; V240-A253 WeakPolarHBondContact CG2-O 3.42Å; V240-N257 HydrophobicContact CG2-CB 4.1Å; V240-N257 VanDerWaalsContact CG2-ND2 3.32Å; V240-N257 WeakPolarHBondContact CG2-ND2 3.43Å |
| 241 | S | 73.3 | Confident | 80 | Confident | 108 Ų | 108 | 51.5 Ų | 51.5 | 76% | 0.755 | 31% | 0.309 | S | S | * | . | G | 310 helix | trans | -62 | -18.9 | 178.2 | 58.7 | 0 | 0 | 0 | 0 | 114.8 | K239 | K239-S241 PolarHBondContact O-N 3.47Š|
| 242 | K | 68.8 | Low | 78.9 | Confident | 82 Ų | 82 | 52.1 Ų | 52.1 | 36% | 0.357 | 31% | 0.311 | S | S | . | . | G | 310 helix | trans | -83.5 | -21.7 | 174.7 | -81.6 | -160.2 | 169.7 | -158.7 | 0 | 113.7 | K239 V240 G244 F310 E314 | K239-K242 WeakPolarHBondContact O-CB 3.19Å; K239-K242 PolarHBondContact O-N 3.46Å; V240-K242 PolarHBondContact O-N 3.08Å; V240-K242 VanDerWaalsContact O-N 3.12Å; K242-G244 VanDerWaalsContact C-N 3.32Å; K242-G244 PolarHBondContact O-N 2.94Å; K242-F310 PolarHBondContact NZ-O 3.05Å; K242-E314 HydrophobicContact CD-CG 4.04Å; K242-E314 WeakPolarHBondContact CD-OE1 3.42Å; K242-E314 VanDerWaalsContact CE-OE1 3.28Å; K242-E314 WeakPolarHBondContact CE-OE1 3.43Å |
| 243 | T | 67.9 | Low | 77.8 | Confident | 64 Ų | 64 | 52.5 Ų | 52.5 | 39% | 0.393 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -15.1 | -172.6 | 65.5 | 0 | 0 | 0 | 0 | 113.2 | V240 A245 | V240-T243 PolarHBondContact O-N 3.46Å; V240-T243 VanDerWaalsContact O-N 3.08Å; V240-T243 PolarHBondContact O-OG1 2.64Å; T243-A245 PolarHBondContact O-N 3.09Å; T243-A245 VanDerWaalsContact O-N 3.16Å; T243-A245 WeakPolarHBondContact OG1-CB 3.48Å; T243-A245 PolarHBondContact OG1-N 2.8Å |
| 244 | G | 65.5 | Low | 77.2 | Confident | 69 Ų | 69 | 56.9 Ų | 56.9 | 71% | 0.711 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.4 | 16.4 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | K242 | K242-G244 VanDerWaalsContact C-N 3.32Å; K242-G244 PolarHBondContact O-N 2.94Å |
| 245 | A | 65.2 | Low | 76.5 | Confident | 17 Ų | 17 | 59.5 Ų | 59.5 | 14% | 0.14 | 35% | 0.347 | C | S | . | . | trans | -72.9 | 132.1 | -173.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | T243 I249 L250 | T243-A245 PolarHBondContact O-N 3.09Å; T243-A245 VanDerWaalsContact O-N 3.16Å; T243-A245 WeakPolarHBondContact OG1-CB 3.48Å; T243-A245 PolarHBondContact OG1-N 2.8Å; A245-I249 HydrophobicContact CB-CB 3.95Å; A245-I249 HydrophobicContact CB-CG2 3.64Å; A245-L250 WeakPolarHBondContact O-CD1 3.44Å | ||
| 246 | E | 74.1 | Confident | 75.8 | Confident | 165 Ų | 165 | 60 Ų | 60 | 77% | 0.771 | 35% | 0.349 | S | S | * | . | trans | -114.4 | 163.1 | 173 | -63.8 | -171.4 | 166.2 | 0 | 0 | 111.1 | T248 I249 | E246-T248 PolarHBondContact O-N 3.37Å; E246-I249 PolarHBondContact O-N 3.45Å | ||
| 247 | G | 77.5 | Confident | 75.4 | Confident | 54 Ų | 54 | 61.3 Ų | 61.3 | 56% | 0.557 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | 58.3 | -132.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | I249 L250 | G247-I249 VanDerWaalsContact C-N 3.3Å; G247-I249 PolarHBondContact O-N 3.32Å; G247-L250 VanDerWaalsContact O-CB 3.28Å; G247-L250 WeakPolarHBondContact O-CB 3.25Å; G247-L250 PolarHBondContact O-N 2.83Å; G247-L250 VanDerWaalsContact O-N 3.14Å |
| 248 | T | 73.2 | Confident | 75.3 | Confident | 121 Ų | 121 | 66.4 Ų | 66.4 | 74% | 0.742 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -64.3 | -31 | -176.3 | 52.3 | 0 | 0 | 0 | 0 | 113.7 | E246 L250 D251 E252 | E246-T248 PolarHBondContact O-N 3.37Å; T248-L250 PolarHBondContact O-N 3.07Å; T248-D251 PolarHBondContact O-N 2.79Å; T248-E252 PolarHBondContact O-N 3.45Å |
| 249 | I | 69.2 | Low | 75.5 | Confident | 52 Ų | 52 | 65 Ų | 65 | 27% | 0.267 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -67.6 | -30.1 | 177.7 | -49.1 | 177.6 | 0 | 0 | 0 | 110.3 | A245 E246 G247 A253 | A245-I249 HydrophobicContact CB-CB 3.95Å; A245-I249 HydrophobicContact CB-CG2 3.64Å; E246-I249 PolarHBondContact O-N 3.45Å; G247-I249 VanDerWaalsContact C-N 3.3Å; G247-I249 PolarHBondContact O-N 3.32Å; I249-A253 WeakPolarHBondContact O-CB 2.98Å; I249-A253 PolarHBondContact O-N 3.48Å |
| 250 | L | 73.3 | Confident | 75.9 | Confident | 56 Ų | 56 | 60 Ų | 60 | 29% | 0.293 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -66.4 | -41.6 | 174.3 | -177.2 | 67 | 0 | 0 | 0 | 111.5 | V240 A245 G247 T248 A253 K254 | V240-L250 HydrophobicContact CG1-CD1 3.41Å; V240-L250 VanDerWaalsContact CG1-CD1 3.41Å; A245-L250 WeakPolarHBondContact O-CD1 3.44Å; G247-L250 VanDerWaalsContact O-CB 3.28Å; G247-L250 WeakPolarHBondContact O-CB 3.25Å; G247-L250 PolarHBondContact O-N 2.83Å; G247-L250 VanDerWaalsContact O-N 3.14Å; T248-L250 PolarHBondContact O-N 3.07Å; L250-A253 PolarHBondContact O-N 2.9Å; L250-K254 VanDerWaalsContact O-CG 3.32Å; L250-K254 WeakPolarHBondContact O-CG 3.38Å; L250-K254 PolarHBondContact O-N 2.83Å |
| 251 | D | 75.7 | Confident | 76.6 | Confident | 80 Ų | 80 | 61.7 Ų | 61.7 | 43% | 0.428 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -74.2 | -31.7 | 179.9 | -69 | -27.9 | 0 | 0 | 0 | 112.7 | T248 K254 N255 | T248-D251 PolarHBondContact O-N 2.79Å; D251-K254 WeakPolarHBondContact OD1-CD 3.44Å; D251-K254 IonicContact OD1-NZ 2.61Å; D251-K254 PolarHBondContact OD1-NZ 2.77Å; D251-N255 PolarHBondContact O-N 3.17Å; D251-N255 VanDerWaalsContact O-N 3.1Å; D251-N255 PolarHBondContact O-ND2 2.99Å |
| 252 | E | 73.6 | Confident | 77.5 | Confident | 16 Ų | 16 | 56.7 Ų | 56.7 | 8% | 0.075 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -58 | -54.4 | 164.3 | 179.9 | -172.6 | 169.4 | 0 | 0 | 110.6 | Y140 H202 R205 T248 K254 N255 I256 | Y140-E252 HydrophobicContact CE2-CG 4.38Å; Y140-E252 WeakPolarHBondContact OH-CG 3.32Å; Y140-E252 PolarHBondContact OH-OE1 3.33Å; H202-E252 IonicContact CE1-OE1 3.99Å; H202-E252 IonicContact ND1-OE1 2.75Å; H202-E252 PolarHBondContact ND1-OE1 2.95Å; R205-E252 WeakPolarHBondContact CD-OE1 3.21Å; R205-E252 IonicContact CZ-OE1 2.68Å; R205-E252 IonicContact NE-OE1 3.62Å; R205-E252 IonicContact NH1-OE1 3.59Å; R205-E252 PolarHBondContact NH1-OE1 3.08Å; R205-E252 IonicContact NH1-OE2 3.43Å; R205-E252 PolarHBondContact NH1-OE2 3.47Å; T248-E252 PolarHBondContact O-N 3.45Å; E252-K254 VanDerWaalsContact C-N 3.31Å; E252-K254 PolarHBondContact O-N 2.79Å; E252-N255 PolarHBondContact O-N 2.75Å; E252-I256 HydrophobicContact CG-CD1 3.81Å; E252-I256 WeakPolarHBondContact O-CD1 3.43Å; E252-I256 WeakPolarHBondContact O-CG1 3.28Å; E252-I256 PolarHBondContact O-N 3.16Å |
| 253 | A | 73.2 | Confident | 78.7 | Confident | 7 Ų | 7 | 53 Ų | 53 | 6% | 0.058 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -60.7 | -36 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | V240 I249 L250 N257 | V240-A253 HydrophobicContact CB-CB 4.45Å; V240-A253 HydrophobicContact CG1-CB 3.81Å; V240-A253 HydrophobicContact CG2-CB 4.08Å; V240-A253 WeakPolarHBondContact CG2-O 3.42Å; I249-A253 WeakPolarHBondContact O-CB 2.98Å; I249-A253 PolarHBondContact O-N 3.48Å; L250-A253 PolarHBondContact O-N 2.9Å; A253-N257 WeakPolarHBondContact O-CB 3.16Å; A253-N257 PolarHBondContact O-N 3.22Å; A253-N257 VanDerWaalsContact O-N 3.14Å; A253-N257 PolarHBondContact O-ND2 2.85Å |
| 254 | K | 80.7 | Confident | 79.9 | Confident | 103 Ų | 103 | 50.5 Ų | 50.5 | 45% | 0.448 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -62.2 | -46.6 | 170.6 | -74.5 | 171.6 | -166.7 | 153.2 | 0 | 112 | L250 D251 E252 N257 K258 | L250-K254 VanDerWaalsContact O-CG 3.32Å; L250-K254 WeakPolarHBondContact O-CG 3.38Å; L250-K254 PolarHBondContact O-N 2.83Å; D251-K254 WeakPolarHBondContact OD1-CD 3.44Å; D251-K254 IonicContact OD1-NZ 2.61Å; D251-K254 PolarHBondContact OD1-NZ 2.77Å; E252-K254 VanDerWaalsContact C-N 3.31Å; E252-K254 PolarHBondContact O-N 2.79Å; K254-N257 CarbonylContact O-C 3.57Å; K254-N257 PolarHBondContact O-N 2.84Å; K254-K258 PolarHBondContact O-N 3.2Å |
| 255 | N | 79.3 | Confident | 81.2 | Confident | 59 Ų | 59 | 51.4 Ų | 51.4 | 32% | 0.316 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -68.2 | -36.1 | -177.4 | -81.1 | -57.8 | 0 | 0 | 0 | 112.9 | M141 D251 E252 K258 S259 | M141-N255 HydrophobicContact CB-CB 4.45Å; M141-N255 HydrophobicContact CE-CB 4.49Å; M141-N255 HydrophobicContact CG-CB 4.29Å; D251-N255 PolarHBondContact O-N 3.17Å; D251-N255 VanDerWaalsContact O-N 3.1Å; D251-N255 PolarHBondContact O-ND2 2.99Å; E252-N255 PolarHBondContact O-N 2.75Å; N255-K258 WeakPolarHBondContact O-CB 3.45Å; N255-K258 PolarHBondContact O-N 3.49Å; N255-S259 PolarHBondContact O-N 2.9Å |
| 256 | I | 76.6 | Confident | 82.5 | Confident | 11 Ų | 11 | 50.6 Ų | 50.6 | 6% | 0.056 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.7 | -52.1 | 172.2 | -62.4 | 156 | 0 | 0 | 0 | 109.4 | R205 A235 E252 K258 S259 L260 | R205-I256 HydrophobicContact CB-CD1 3.5Å; R205-I256 HydrophobicContact CB-CG1 4.33Å; R205-I256 HydrophobicContact CG-CD1 3.63Å; A235-I256 HydrophobicContact CB-CG2 3.72Å; E252-I256 HydrophobicContact CG-CD1 3.81Å; E252-I256 WeakPolarHBondContact O-CD1 3.43Å; E252-I256 WeakPolarHBondContact O-CG1 3.28Å; E252-I256 PolarHBondContact O-N 3.16Å; I256-K258 PolarHBondContact O-N 2.87Å; I256-S259 PolarHBondContact O-N 3.01Å; I256-S259 PolarHBondContact O-OG 2.91Å; I256-L260 PolarHBondContact O-N 2.8Å |
| 257 | N | 81.2 | Confident | 83.4 | Confident | 32 Ų | 32 | 42.7 Ų | 42.7 | 17% | 0.171 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.5 | -25.5 | 177.2 | -90 | -77.4 | 0 | 0 | 0 | 113.6 | E238 V240 A253 K254 L260 S261 | E238-N257 PolarHBondContact O-ND2 3.4Å; V240-N257 HydrophobicContact CG2-CB 4.1Å; V240-N257 VanDerWaalsContact CG2-ND2 3.32Å; V240-N257 WeakPolarHBondContact CG2-ND2 3.43Å; A253-N257 WeakPolarHBondContact O-CB 3.16Å; A253-N257 PolarHBondContact O-N 3.22Å; A253-N257 VanDerWaalsContact O-N 3.14Å; A253-N257 PolarHBondContact O-ND2 2.85Å; K254-N257 CarbonylContact O-C 3.57Å; K254-N257 PolarHBondContact O-N 2.84Å; N257-L260 PolarHBondContact O-N 3.08Å; N257-S261 WeakPolarHBondContact O-CB 3.2Å; N257-S261 PolarHBondContact O-N 2.88Å; N257-S261 PolarHBondContact O-OG 2.64Å |
| 258 | K | 88.6 | Confident | 84.1 | Confident | 118 Ų | 118 | 41 Ų | 41 | 51% | 0.513 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -59.8 | -48.6 | 172.4 | -176.2 | -171.6 | 173.3 | -168.7 | 0 | 111.3 | K254 N255 I256 L260 S261 A262 | K254-K258 PolarHBondContact O-N 3.2Å; N255-K258 WeakPolarHBondContact O-CB 3.45Å; N255-K258 PolarHBondContact O-N 3.49Å; I256-K258 PolarHBondContact O-N 2.87Å; K258-L260 PolarHBondContact O-N 3.23Å; K258-S261 PolarHBondContact O-N 3.37Å; K258-A262 WeakPolarHBondContact O-CB 3.32Å; K258-A262 PolarHBondContact O-N 2.97Å |
| 259 | S | 90.8 | Very high | 85 | Confident | 7 Ų | 7 | 35.4 Ų | 35.4 | 5% | 0.049 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.9 | -39.5 | 179.4 | 65.4 | 0 | 0 | 0 | 0 | 112.9 | H207 N255 I256 L263 | H207-S259 PolarHBondContact NE2-OG 2.79Å; N255-S259 PolarHBondContact O-N 2.9Å; I256-S259 PolarHBondContact O-N 3.01Å; I256-S259 PolarHBondContact O-OG 2.91Å; S259-L263 PolarHBondContact O-N 3.05Å; S259-L263 VanDerWaalsContact O-N 3.08Å |
| 260 | L | 89.9 | Confident | 86.1 | Confident | 10 Ų | 10 | 34.8 Ų | 34.8 | 5% | 0.052 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -73.3 | -30.5 | 175.3 | -68 | -178.1 | 0 | 0 | 0 | 113.2 | Y86 L234 G236 I256 N257 K258 L263 G264 | Y86-L260 HydrophobicContact CE2-CD2 4.16Å; L234-L260 HydrophobicContact CB-CD2 4.48Å; G236-L260 VanDerWaalsContact O-CD1 3.29Å; G236-L260 WeakPolarHBondContact O-CD1 3.34Å; I256-L260 PolarHBondContact O-N 2.8Å; N257-L260 PolarHBondContact O-N 3.08Å; K258-L260 PolarHBondContact O-N 3.23Å; L260-L263 HydrophobicContact CD2-CD2 4.32Å; L260-L263 PolarHBondContact O-N 3.31Å; L260-G264 PolarHBondContact O-N 2.71Å |
| 261 | S | 90.9 | Very high | 86.9 | Confident | 64 Ų | 64 | 33.6 Ų | 33.6 | 45% | 0.448 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -69.8 | -41.1 | 173 | -60.9 | 0 | 0 | 0 | 0 | 111.3 | N257 K258 L263 G264 N265 | N257-S261 WeakPolarHBondContact O-CB 3.2Å; N257-S261 PolarHBondContact O-N 2.88Å; N257-S261 PolarHBondContact O-OG 2.64Å; K258-S261 PolarHBondContact O-N 3.37Å; S261-L263 VanDerWaalsContact C-N 3.35Å; S261-L263 PolarHBondContact O-N 3.45Å; S261-G264 CarbonylContact O-C 3.5Å; S261-G264 PolarHBondContact O-N 2.66Å; S261-N265 VanDerWaalsContact O-CG 3.23Å; S261-N265 PolarHBondContact O-N 3.09Å; S261-N265 PolarHBondContact O-OD1 3.05Å |
| 262 | A | 92.9 | Very high | 87.5 | Confident | 3 Ų | 3 | 34.6 Ų | 34.6 | 3% | 0.025 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -58.5 | -46.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | K258 G264 N265 V266 D282 T286 | K258-A262 WeakPolarHBondContact O-CB 3.32Å; K258-A262 PolarHBondContact O-N 2.97Å; A262-G264 PolarHBondContact O-N 3.35Å; A262-N265 WeakPolarHBondContact O-CB 3.31Å; A262-N265 PolarHBondContact O-N 3.5Å; A262-N265 VanDerWaalsContact O-N 3.17Å; A262-V266 WeakPolarHBondContact O-CG2 3.28Å; A262-V266 PolarHBondContact O-N 2.73Å; A262-D282 HydrophobicContact CB-CB 3.7Å; A262-T286 HydrophobicContact CB-CG2 4.21Å |
| 263 | L | 93.6 | Very high | 87.7 | Confident | 5 Ų | 5 | 36.9 Ų | 36.9 | 3% | 0.026 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -58.5 | -45.4 | 172.9 | -179.7 | 63.4 | 0 | 0 | 0 | 111.8 | L234 S259 L260 S261 N265 V266 I267 T286 L293 F321 | L234-L263 HydrophobicContact CD1-CD2 3.82Å; S259-L263 PolarHBondContact O-N 3.05Å; S259-L263 VanDerWaalsContact O-N 3.08Å; L260-L263 HydrophobicContact CD2-CD2 4.32Å; L260-L263 PolarHBondContact O-N 3.31Å; S261-L263 VanDerWaalsContact C-N 3.35Å; S261-L263 PolarHBondContact O-N 3.45Å; L263-N265 VanDerWaalsContact C-N 3.31Å; L263-N265 PolarHBondContact O-N 3.29Å; L263-V266 PolarHBondContact O-N 3.39Å; L263-I267 HydrophobicContact CD1-CG1 4.37Å; L263-I267 WeakPolarHBondContact O-CB 3.44Å; L263-I267 VanDerWaalsContact O-CG1 3.27Å; L263-I267 WeakPolarHBondContact O-CG1 3.41Å; L263-I267 PolarHBondContact O-N 2.81Å; L263-T286 HydrophobicContact CB-CG2 4.03Å; L263-T286 HydrophobicContact CD1-CG2 4.31Å; L263-L293 HydrophobicContact CD1-CD1 3.47Å; L263-L293 VanDerWaalsContact CD1-CD1 3.47Å; L263-F321 HydrophobicContact CD2-CE2 4.45Å; L263-F321 HydrophobicContact CD2-CZ 4.11Å; L263-F321 HydrophobicContact CG-CE2 4.2Å; L263-F321 HydrophobicContact CG-CZ 4.15Å |
| 264 | G | 92.2 | Very high | 87.9 | Confident | 11 Ų | 11 | 42 Ų | 42 | 11% | 0.113 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.5 | -35.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114 | L260 S261 A262 S268 | L260-G264 PolarHBondContact O-N 2.71Å; S261-G264 CarbonylContact O-C 3.5Å; S261-G264 PolarHBondContact O-N 2.66Å; A262-G264 PolarHBondContact O-N 3.35Å; G264-S268 WeakPolarHBondContact O-CB 3.4Å; G264-S268 PolarHBondContact O-N 3.09Å; G264-S268 PolarHBondContact O-OG 3.08Å |
| 265 | N | 92.8 | Very high | 87.6 | Confident | 88 Ų | 88 | 42 Ų | 42 | 47% | 0.471 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -71.3 | -43.8 | 176.3 | -70.5 | -13.5 | 0 | 0 | 0 | 111.7 | S261 A262 L263 S268 A269 P279 | S261-N265 VanDerWaalsContact O-CG 3.23Å; S261-N265 PolarHBondContact O-N 3.09Å; S261-N265 PolarHBondContact O-OD1 3.05Å; A262-N265 WeakPolarHBondContact O-CB 3.31Å; A262-N265 PolarHBondContact O-N 3.5Å; A262-N265 VanDerWaalsContact O-N 3.17Å; L263-N265 VanDerWaalsContact C-N 3.31Å; L263-N265 PolarHBondContact O-N 3.29Å; N265-S268 PolarHBondContact O-N 2.94Å; N265-A269 WeakPolarHBondContact O-CB 3.37Å; N265-A269 PolarHBondContact O-N 3.36Å; N265-P279 HydrophobicContact CB-CG 4.2Å |
| 266 | V | 94.2 | Very high | 87.6 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -58.7 | -50.4 | 173.7 | 166.4 | 0 | 0 | 0 | 0 | 110.7 | A262 L263 S268 A269 L270 V278 P279 Y280 T286 L293 | A262-V266 WeakPolarHBondContact O-CG2 3.28Å; A262-V266 PolarHBondContact O-N 2.73Å; L263-V266 PolarHBondContact O-N 3.39Å; V266-S268 VanDerWaalsContact C-N 3.28Å; V266-S268 PolarHBondContact O-N 2.81Å; V266-A269 PolarHBondContact O-N 2.83Å; V266-L270 HydrophobicContact CG1-CD1 3.79Å; V266-L270 WeakPolarHBondContact O-CB 3.45Å; V266-L270 WeakPolarHBondContact O-CG 3.32Å; V266-L270 PolarHBondContact O-N 3.27Å; V266-V278 HydrophobicContact CB-CG1 4.25Å; V266-V278 HydrophobicContact CG1-CG1 3.84Å; V266-V278 HydrophobicContact CG2-CG1 4.14Å; V266-P279 HydrophobicContact CG2-CG 4.15Å; V266-Y280 HydrophobicContact CG1-CD1 3.86Å; V266-Y280 HydrophobicContact CG1-CE1 3.58Å; V266-Y280 HydrophobicContact CG2-CD1 4.18Å; V266-T286 HydrophobicContact CB-CG2 4.44Å; V266-T286 HydrophobicContact CG2-CG2 3.93Å; V266-L293 HydrophobicContact CG1-CD1 4.35Å |
| 267 | I | 93.2 | Very high | 88.2 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -59 | -39.2 | 176.8 | -68.1 | -66.8 | 0 | 0 | 0 | 111.5 | L263 A271 L293 F321 R324 A325 I328 | L263-I267 HydrophobicContact CD1-CG1 4.37Å; L263-I267 WeakPolarHBondContact O-CB 3.44Å; L263-I267 VanDerWaalsContact O-CG1 3.27Å; L263-I267 WeakPolarHBondContact O-CG1 3.41Å; L263-I267 PolarHBondContact O-N 2.81Å; I267-A271 WeakPolarHBondContact O-CB 3.36Å; I267-A271 PolarHBondContact O-N 3.09Å; I267-L293 HydrophobicContact CD1-CD1 4.05Å; I267-L293 HydrophobicContact CD1-CD2 3.82Å; I267-L293 HydrophobicContact CD1-CG 4.48Å; I267-F321 HydrophobicContact CB-CE2 4.28Å; I267-F321 HydrophobicContact CD1-CZ 4.46Å; I267-F321 HydrophobicContact CG1-CE2 3.77Å; I267-F321 HydrophobicContact CG1-CZ 3.87Å; I267-F321 HydrophobicContact CG2-CE2 4.42Å; I267-R324 HydrophobicContact CG2-CB 3.93Å; I267-A325 HydrophobicContact CD1-CB 4.12Å; I267-A325 HydrophobicContact CG2-CB 4.11Å; I267-I328 HydrophobicContact CB-CD1 4.34Å; I267-I328 HydrophobicContact CD1-CD1 3.43Å; I267-I328 VanDerWaalsContact CD1-CD1 3.43Å; I267-I328 HydrophobicContact CG1-CD1 4.43Å; I267-I328 HydrophobicContact CG2-CD1 4.14Å |
| 268 | S | 91.3 | Very high | 88.7 | Confident | 19 Ų | 19 | 51.4 Ų | 51.4 | 13% | 0.133 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -69.5 | -43 | 178 | -52.6 | 0 | 0 | 0 | 0 | 112.2 | G264 N265 V266 L270 A271 E272 R324 | G264-S268 WeakPolarHBondContact O-CB 3.4Å; G264-S268 PolarHBondContact O-N 3.09Å; G264-S268 PolarHBondContact O-OG 3.08Å; N265-S268 PolarHBondContact O-N 2.94Å; V266-S268 VanDerWaalsContact C-N 3.28Å; V266-S268 PolarHBondContact O-N 2.81Å; S268-L270 VanDerWaalsContact C-N 3.34Å; S268-L270 PolarHBondContact O-N 3.16Å; S268-A271 PolarHBondContact O-N 2.83Å; S268-E272 WeakPolarHBondContact O-CB 3.37Å; S268-E272 WeakPolarHBondContact O-CG 3.33Å; S268-E272 PolarHBondContact O-N 2.89Å; S268-R324 PolarHBondContact OG-NH1 2.88Å |
| 269 | A | 92.2 | Very high | 88.9 | Confident | 3 Ų | 3 | 46.8 Ų | 46.8 | 3% | 0.025 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62 | -41.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | N265 V266 G273 K275 V278 | N265-A269 WeakPolarHBondContact O-CB 3.37Å; N265-A269 PolarHBondContact O-N 3.36Å; V266-A269 PolarHBondContact O-N 2.83Å; A269-G273 PolarHBondContact O-N 3.13Å; A269-G273 VanDerWaalsContact O-N 3.15Å; A269-K275 HydrophobicContact CB-CB 4.25Å; A269-K275 HydrophobicContact CB-CD 3.87Å; A269-V278 HydrophobicContact CB-CG1 4.36Å; A269-V278 HydrophobicContact CB-CG2 4.25Å |
| 270 | L | 91.8 | Very high | 89 | Confident | 38 Ų | 38 | 48.1 Ų | 48.1 | 20% | 0.199 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -70.8 | -40.4 | 176.8 | -70.3 | 170 | 0 | 0 | 0 | 112.9 | V266 S268 G273 V278 L293 I328 | V266-L270 HydrophobicContact CG1-CD1 3.79Å; V266-L270 WeakPolarHBondContact O-CB 3.45Å; V266-L270 WeakPolarHBondContact O-CG 3.32Å; V266-L270 PolarHBondContact O-N 3.27Å; S268-L270 VanDerWaalsContact C-N 3.34Å; S268-L270 PolarHBondContact O-N 3.16Å; L270-G273 PolarHBondContact O-N 3.23Å; L270-V278 HydrophobicContact CD1-CG1 4.47Å; L270-V278 HydrophobicContact CD2-CG1 4.35Å; L270-V278 HydrophobicContact CD2-CG2 3.9Å; L270-V278 HydrophobicContact CG-CG1 4.07Å; L270-V278 HydrophobicContact CG-CG2 4.28Å; L270-L293 HydrophobicContact CD1-CB 3.98Å; L270-L293 WeakPolarHBondContact CD1-O 3.29Å; L270-I328 HydrophobicContact CB-CD1 3.67Å; L270-I328 HydrophobicContact CB-CG1 3.76Å; L270-I328 HydrophobicContact CB-CG2 4.11Å; L270-I328 HydrophobicContact CD1-CD1 4.12Å; L270-I328 HydrophobicContact CD1-CG2 4.27Å |
| 271 | A | 89.6 | Confident | 89.1 | Confident | 32 Ų | 32 | 55.8 Ų | 55.8 | 26% | 0.264 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -69.1 | -35.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113 | I267 S268 R324 T327 I328 | I267-A271 WeakPolarHBondContact O-CB 3.36Å; I267-A271 PolarHBondContact O-N 3.09Å; S268-A271 PolarHBondContact O-N 2.83Å; A271-R324 HydrophobicContact CB-CB 4.24Å; A271-T327 WeakPolarHBondContact CA-OG1 3.28Å; A271-T327 WeakPolarHBondContact CB-OG1 3.35Å; A271-I328 HydrophobicContact CB-CG1 4.41Å |
| 272 | E | 88.2 | Confident | 89.1 | Confident | 101 Ų | 101 | 56.6 Ų | 56.6 | 47% | 0.472 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -73.7 | -30.6 | 175.2 | -71.1 | 165.7 | -148.9 | 0 | 0 | 112.1 | S268 T274 K275 | S268-E272 WeakPolarHBondContact O-CB 3.37Å; S268-E272 WeakPolarHBondContact O-CG 3.33Å; S268-E272 PolarHBondContact O-N 2.89Å; E272-T274 WeakPolarHBondContact O-CG2 3.31Å; E272-T274 PolarHBondContact O-N 2.85Å; E272-K275 VanDerWaalsContact CD-NZ 3.31Å; E272-K275 IonicContact OE1-NZ 3.2Å; E272-K275 PolarHBondContact OE1-NZ 2.76Å; E272-K275 IonicContact OE2-NZ 2.84Å; E272-K275 PolarHBondContact OE2-NZ 3Å |
| 273 | G | 79 | Confident | 89.2 | Confident | 64 Ų | 64 | 56.6 Ų | 56.6 | 66% | 0.66 | 32% | 0.316 | S | S | * | . | trans | 65.4 | -8.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | A269 L270 | A269-G273 PolarHBondContact O-N 3.13Å; A269-G273 VanDerWaalsContact O-N 3.15Å; L270-G273 PolarHBondContact O-N 3.23Å | ||
| 274 | T | 76.2 | Confident | 89.2 | Confident | 115 Ų | 115 | 58 Ų | 58 | 71% | 0.706 | 32% | 0.322 | S | S | * | . | trans | -86.7 | -16.7 | -175.6 | 57.1 | 0 | 0 | 0 | 0 | 114.2 | E272 | E272-T274 WeakPolarHBondContact O-CG2 3.31Å; E272-T274 PolarHBondContact O-N 2.85Å | ||
| 275 | K | 75.1 | Confident | 89.3 | Confident | 102 Ų | 102 | 57.5 Ų | 57.5 | 44% | 0.443 | 32% | 0.317 | S | S | . | . | trans | -87.6 | 117.1 | -178.3 | -67 | -172.8 | 177.3 | 104 | 0 | 110.5 | A269 E272 H277 | A269-K275 HydrophobicContact CB-CB 4.25Å; A269-K275 HydrophobicContact CB-CD 3.87Å; E272-K275 VanDerWaalsContact CD-NZ 3.31Å; E272-K275 IonicContact OE1-NZ 3.2Å; E272-K275 PolarHBondContact OE1-NZ 2.76Å; E272-K275 IonicContact OE2-NZ 2.84Å; E272-K275 PolarHBondContact OE2-NZ 3Å; K275-H277 VanDerWaalsContact C-N 3.25Å; K275-H277 PolarHBondContact O-N 3.33Å | ||
| 276 | S | 79.3 | Confident | 89.3 | Confident | 134 Ų | 134 | 53.4 Ų | 53.4 | 94% | 0.937 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -65.7 | -24.5 | 177.1 | 55.5 | 0 | 0 | 0 | 0 | 114.1 | ||
| 277 | H | 88.8 | Confident | 89.3 | Confident | 138 Ų | 138 | 55.6 Ų | 55.6 | 64% | 0.639 | 30% | 0.303 | S | S | * | . | trans | -118.8 | 121.4 | 177.8 | 177.9 | -92.5 | 0 | 0 | 0 | 110.9 | K275 | K275-H277 VanDerWaalsContact C-N 3.25Å; K275-H277 PolarHBondContact O-N 3.33Å | ||
| 278 | V | 91.5 | Very high | 89.3 | Confident | 27 Ų | 27 | 55.8 Ų | 55.8 | 16% | 0.164 | 30% | 0.304 | C | S | . | . | trans | -99.4 | 124.9 | 175.8 | -179.3 | 0 | 0 | 0 | 0 | 108.9 | V266 A269 L270 Y280 | V266-V278 HydrophobicContact CB-CG1 4.25Å; V266-V278 HydrophobicContact CG1-CG1 3.84Å; V266-V278 HydrophobicContact CG2-CG1 4.14Å; A269-V278 HydrophobicContact CB-CG1 4.36Å; A269-V278 HydrophobicContact CB-CG2 4.25Å; L270-V278 HydrophobicContact CD1-CG1 4.47Å; L270-V278 HydrophobicContact CD2-CG1 4.35Å; L270-V278 HydrophobicContact CD2-CG2 3.9Å; L270-V278 HydrophobicContact CG-CG1 4.07Å; L270-V278 HydrophobicContact CG-CG2 4.28Å; V278-Y280 HydrophobicContact CB-CD2 4.02Å; V278-Y280 HydrophobicContact CB-CE2 3.55Å; V278-Y280 HydrophobicContact CG1-CD1 4.31Å; V278-Y280 HydrophobicContact CG1-CD2 3.92Å; V278-Y280 HydrophobicContact CG1-CE1 3.89Å; V278-Y280 HydrophobicContact CG1-CE2 3.49Å; V278-Y280 VanDerWaalsContact CG1-CE2 3.49Å; V278-Y280 HydrophobicContact CG1-CG 4.31Å; V278-Y280 VanDerWaalsContact CG1-CZ 3.46Å; V278-Y280 HydrophobicContact CG2-CE2 4.47Å; V278-Y280 WeakPolarHBondContact O-CD2 3.32Å; V278-Y280 PolarHBondContact O-N 3.06Å | ||
| 279 | P | 92.9 | Very high | 89.3 | Confident | 22 Ų | 22 | 54.9 Ų | 54.9 | 14% | 0.143 | 30% | 0.298 | C | S | . | . | trans | -82 | 54.1 | -167.3 | 34.5 | -38.1 | 0 | 0 | 0 | 113.7 | N265 V266 R281 D282 | N265-P279 HydrophobicContact CB-CG 4.2Å; V266-P279 HydrophobicContact CG2-CG 4.15Å; P279-R281 PolarHBondContact O-N 3.2Å; P279-R281 VanDerWaalsContact O-N 3.1Å; P279-D282 PolarHBondContact O-N 2.99Å | ||
| 280 | Y | 93.7 | Very high | 89.4 | Confident | 35 Ų | 35 | 57.5 Ų | 57.5 | 14% | 0.137 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | -58.2 | -26.6 | 178.7 | -61.1 | -75.6 | 0 | 0 | 0 | 113.2 | V266 V278 D282 T286 R287 Q290 L293 | V266-Y280 HydrophobicContact CG1-CD1 3.86Å; V266-Y280 HydrophobicContact CG1-CE1 3.58Å; V266-Y280 HydrophobicContact CG2-CD1 4.18Å; V278-Y280 HydrophobicContact CB-CD2 4.02Å; V278-Y280 HydrophobicContact CB-CE2 3.55Å; V278-Y280 HydrophobicContact CG1-CD1 4.31Å; V278-Y280 HydrophobicContact CG1-CD2 3.92Å; V278-Y280 HydrophobicContact CG1-CE1 3.89Å; V278-Y280 HydrophobicContact CG1-CE2 3.49Å; V278-Y280 VanDerWaalsContact CG1-CE2 3.49Å; V278-Y280 HydrophobicContact CG1-CG 4.31Å; V278-Y280 VanDerWaalsContact CG1-CZ 3.46Å; V278-Y280 HydrophobicContact CG2-CE2 4.47Å; V278-Y280 WeakPolarHBondContact O-CD2 3.32Å; V278-Y280 PolarHBondContact O-N 3.06Å; Y280-D282 VanDerWaalsContact C-N 3.33Å; Y280-D282 PolarHBondContact O-N 3.24Å; Y280-T286 CarbonylContact O-C 3.47Å; Y280-T286 VanDerWaalsContact O-CB 3.3Å; Y280-T286 WeakPolarHBondContact O-CB 3.43Å; Y280-T286 PolarHBondContact O-OG1 3.39Å; Y280-R287 WeakPolarHBondContact O-CG 3.41Å; Y280-R287 PolarHBondContact O-N 2.81Å; Y280-R287 VanDerWaalsContact O-N 3.14Å; Y280-Q290 HydrophobicContact CD1-CB 4.03Å; Y280-Q290 HydrophobicContact CD1-CG 3.91Å; Y280-Q290 HydrophobicContact CD2-CG 3.91Å; Y280-Q290 HydrophobicContact CE1-CB 4.36Å; Y280-Q290 HydrophobicContact CE1-CG 4.05Å; Y280-Q290 HydrophobicContact CE2-CG 4.02Å; Y280-Q290 HydrophobicContact CG-CB 4.29Å; Y280-Q290 HydrophobicContact CG-CG 3.85Å; Y280-L293 WeakPolarHBondContact CE1-O 3.43Å; Y280-L293 PolarHBondContact OH-O 3.41Å |
| 281 | R | 91.9 | Very high | 89.3 | Confident | 170 Ų | 170 | 56.9 Ų | 56.9 | 64% | 0.642 | 31% | 0.305 | S | S | * | . | G | 310 helix | trans | -78 | -7.4 | -176.8 | -69.5 | -174.1 | 168.2 | -174.5 | -4.7 | 115.1 | E159 P279 S283 R287 | E159-R281 IonicContact OE1-CZ 3.72Å; E159-R281 IonicContact OE1-NE 2.79Å; E159-R281 IonicContact OE1-NH2 3.13Å; E159-R281 PolarHBondContact OE1-NH2 3.02Å; E159-R281 IonicContact OE2-NH2 2.67Å; E159-R281 PolarHBondContact OE2-NH2 3.15Å; P279-R281 PolarHBondContact O-N 3.2Å; P279-R281 VanDerWaalsContact O-N 3.1Å; R281-S283 PolarHBondContact O-N 3.34Å; R281-R287 HydrophobicContact CG-CG 4.29Å |
| 282 | D | 91.9 | Very high | 89.4 | Confident | 81 Ų | 81 | 55.4 Ų | 55.4 | 43% | 0.433 | 29% | 0.293 | S | S | . | . | G | 310 helix | trans | -67.4 | -18.1 | -178.5 | -74.6 | 10.8 | 0 | 0 | 0 | 114 | A262 P279 Y280 | A262-D282 HydrophobicContact CB-CB 3.7Å; P279-D282 PolarHBondContact O-N 2.99Å; Y280-D282 VanDerWaalsContact C-N 3.33Å; Y280-D282 PolarHBondContact O-N 3.24Å |
| 283 | S | 93.6 | Very high | 89.5 | Confident | 4 Ų | 4 | 50.7 Ų | 50.7 | 3% | 0.028 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -149.9 | 155.9 | 171 | 74.7 | 0 | 0 | 0 | 0 | 111.7 | R281 L285 T286 R287 | R281-S283 PolarHBondContact O-N 3.34Å; S283-L285 VanDerWaalsContact C-N 3.26Å; S283-L285 PolarHBondContact O-N 3.29Å; S283-T286 PolarHBondContact N-OG1 3.32Å; S283-T286 PolarHBondContact O-N 3.06Å; S283-T286 PolarHBondContact O-OG1 3.17Å; S283-T286 PolarHBondContact OG-N 3.43Å; S283-T286 PolarHBondContact OG-OG1 3.08Å; S283-R287 PolarHBondContact O-N 3.32Å |
| 284 | K | 93.6 | Very high | 89.9 | Confident | 35 Ų | 35 | 49.1 Ų | 49.1 | 15% | 0.152 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64 | -32.9 | 172.8 | -67.3 | -174.9 | -164 | 164.8 | 0 | 112.2 | D142 I144 N154 L155 V157 R287 I288 | D142-K284 WeakPolarHBondContact O-CD 3.37Å; D142-K284 WeakPolarHBondContact O-CE 3.38Å; D142-K284 PolarHBondContact O-NZ 3.42Å; D142-K284 WeakPolarHBondContact OD1-CB 3.44Å; D142-K284 PolarHBondContact OD1-N 3.4Å; I144-K284 HydrophobicContact CD1-CB 4.28Å; I144-K284 HydrophobicContact CD1-CD 3.82Å; I144-K284 HydrophobicContact CG1-CD 3.88Å; N154-K284 PolarHBondContact OD1-NZ 3.42Å; N154-K284 VanDerWaalsContact OD1-NZ 3.09Å; L155-K284 PolarHBondContact O-NZ 3.31Å; V157-K284 HydrophobicContact CG2-CB 3.99Å; V157-K284 HydrophobicContact CG2-CD 4.34Å; V157-K284 HydrophobicContact CG2-CG 4.17Å; K284-R287 PolarHBondContact O-N 2.84Å; K284-I288 WeakPolarHBondContact O-CG1 3.43Å; K284-I288 PolarHBondContact O-N 3.14Å |
| 285 | L | 93.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -56.8 | -55 | 174.2 | 177.3 | 69.2 | 0 | 0 | 0 | 110.7 | I139 H207 L234 S283 R287 I288 L289 | I139-L285 HydrophobicContact CD1-CB 4.14Å; I139-L285 HydrophobicContact CD1-CD1 4Å; H207-L285 HydrophobicContact CB-CD1 4.37Å; L234-L285 HydrophobicContact CD2-CD1 3.94Å; L234-L285 HydrophobicContact CD2-CD2 3.94Å; S283-L285 VanDerWaalsContact C-N 3.26Å; S283-L285 PolarHBondContact O-N 3.29Å; L285-R287 VanDerWaalsContact C-N 3.26Å; L285-R287 PolarHBondContact O-N 2.65Å; L285-I288 PolarHBondContact O-N 3.48Å; L285-I288 VanDerWaalsContact O-N 3.15Å; L285-L289 HydrophobicContact CD1-CD1 3.67Å; L285-L289 HydrophobicContact CD1-CG 4.25Å; L285-L289 HydrophobicContact CG-CD1 3.87Å; L285-L289 VanDerWaalsContact O-CG 3.28Å; L285-L289 WeakPolarHBondContact O-CG 3.4Å; L285-L289 PolarHBondContact O-N 3.46Å |
| 286 | T | 93.6 | Very high | 91.3 | Very high | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.006 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65.6 | -25.9 | -180 | 45.1 | 0 | 0 | 0 | 0 | 113.7 | A262 L263 V266 Y280 S283 Q290 | A262-T286 HydrophobicContact CB-CG2 4.21Å; L263-T286 HydrophobicContact CB-CG2 4.03Å; L263-T286 HydrophobicContact CD1-CG2 4.31Å; V266-T286 HydrophobicContact CB-CG2 4.44Å; V266-T286 HydrophobicContact CG2-CG2 3.93Å; Y280-T286 CarbonylContact O-C 3.47Å; Y280-T286 VanDerWaalsContact O-CB 3.3Å; Y280-T286 WeakPolarHBondContact O-CB 3.43Å; Y280-T286 PolarHBondContact O-OG1 3.39Å; S283-T286 PolarHBondContact N-OG1 3.32Å; S283-T286 PolarHBondContact O-N 3.06Å; S283-T286 PolarHBondContact O-OG1 3.17Å; S283-T286 PolarHBondContact OG-N 3.43Å; S283-T286 PolarHBondContact OG-OG1 3.08Å; T286-Q290 PolarHBondContact O-N 2.94Å |
| 287 | R | 93.9 | Very high | 92 | Very high | 46 Ų | 46 | 34.6 Ų | 34.6 | 17% | 0.174 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -68.9 | -47.2 | 169.4 | -67.1 | -173.9 | 71.6 | -149.8 | -2.6 | 111.8 | V157 E159 P165 Y280 R281 S283 K284 L285 L289 Q290 | V157-R287 HydrophobicContact CG1-CB 4.08Å; V157-R287 PolarHBondContact O-NH1 3.25Å; V157-R287 PolarHBondContact O-NH2 3.31Å; E159-R287 IonicContact OE1-CZ 2.72Å; E159-R287 IonicContact OE1-NE 2.79Å; E159-R287 IonicContact OE1-NH2 3.76Å; E159-R287 PolarHBondContact OE1-NH2 3.34Å; P165-R287 WeakPolarHBondContact CB-O 3.47Å; P165-R287 WeakPolarHBondContact CG-O 3.27Å; Y280-R287 WeakPolarHBondContact O-CG 3.41Å; Y280-R287 PolarHBondContact O-N 2.81Å; Y280-R287 VanDerWaalsContact O-N 3.14Å; R281-R287 HydrophobicContact CG-CG 4.29Å; S283-R287 PolarHBondContact O-N 3.32Å; K284-R287 PolarHBondContact O-N 2.84Å; L285-R287 VanDerWaalsContact C-N 3.26Å; L285-R287 PolarHBondContact O-N 2.65Å; R287-L289 PolarHBondContact O-N 3.37Å; R287-Q290 VanDerWaalsContact O-CB 3.24Å; R287-Q290 WeakPolarHBondContact O-CB 3.28Å; R287-Q290 PolarHBondContact O-N 2.82Å |
| 288 | I | 93.8 | Very high | 92.2 | Very high | 5 Ų | 5 | 29.9 Ų | 29.9 | 3% | 0.026 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62.3 | -36.2 | 179.6 | -68.9 | 161.2 | 0 | 0 | 0 | 111.1 | F137 I139 I144 V157 V167 Y230 K284 L285 Q290 | F137-I288 HydrophobicContact CE2-CD1 3.93Å; F137-I288 HydrophobicContact CZ-CD1 4.28Å; F137-I288 HydrophobicContact CZ-CG2 4.42Å; I139-I288 HydrophobicContact CD1-CD1 3.72Å; I144-I288 HydrophobicContact CD1-CD1 3.85Å; V157-I288 HydrophobicContact CG1-CG1 4.22Å; V157-I288 HydrophobicContact CG2-CD1 3.89Å; V157-I288 HydrophobicContact CG2-CG1 3.81Å; V167-I288 HydrophobicContact CG2-CD1 3.73Å; V167-I288 HydrophobicContact CG2-CG1 4.06Å; Y230-I288 HydrophobicContact CE1-CG2 4.07Å; K284-I288 WeakPolarHBondContact O-CG1 3.43Å; K284-I288 PolarHBondContact O-N 3.14Å; L285-I288 PolarHBondContact O-N 3.48Å; L285-I288 VanDerWaalsContact O-N 3.15Å; I288-Q290 VanDerWaalsContact C-N 3.3Å; I288-Q290 PolarHBondContact O-N 3.17Å |
| 289 | L | 92.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88 | 12.5 | -178.7 | -55.9 | 177.2 | 0 | 0 | 0 | 114.3 | F84 V232 L285 R287 E291 S292 L293 | F84-L289 HydrophobicContact CD1-CD1 4.42Å; F84-L289 HydrophobicContact CE1-CD1 3.34Å; F84-L289 HydrophobicContact CE1-CD2 3.5Å; F84-L289 VanDerWaalsContact CE1-CD2 3.5Å; F84-L289 HydrophobicContact CE1-CG 3.93Å; F84-L289 HydrophobicContact CZ-CB 4.25Å; F84-L289 HydrophobicContact CZ-CD1 3.73Å; F84-L289 HydrophobicContact CZ-CD2 3.69Å; F84-L289 HydrophobicContact CZ-CG 4.06Å; V232-L289 HydrophobicContact CG2-CD2 4.23Å; L285-L289 HydrophobicContact CD1-CD1 3.67Å; L285-L289 HydrophobicContact CD1-CG 4.25Å; L285-L289 HydrophobicContact CG-CD1 3.87Å; L285-L289 VanDerWaalsContact O-CG 3.28Å; L285-L289 WeakPolarHBondContact O-CG 3.4Å; L285-L289 PolarHBondContact O-N 3.46Å; R287-L289 PolarHBondContact O-N 3.37Å; L289-E291 PolarHBondContact O-N 3.43Å; L289-S292 WeakPolarHBondContact O-CB 3.43Å; L289-S292 PolarHBondContact O-N 2.99Å; L289-S292 VanDerWaalsContact O-N 3.09Å; L289-L293 HydrophobicContact CB-CD1 4.35Å; L289-L293 PolarHBondContact O-N 3.4Å |
| 290 | Q | 92.5 | Very high | 92.6 | Very high | 57 Ų | 57 | 28 Ų | 28 | 27% | 0.266 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -35.3 | -178.3 | -174.1 | -179.9 | -47.5 | 0 | 0 | 112.5 | P165 Y280 T286 R287 I288 S292 | P165-Q290 HydrophobicContact CG-CB 3.99Å; Y280-Q290 HydrophobicContact CD1-CB 4.03Å; Y280-Q290 HydrophobicContact CD1-CG 3.91Å; Y280-Q290 HydrophobicContact CD2-CG 3.91Å; Y280-Q290 HydrophobicContact CE1-CB 4.36Å; Y280-Q290 HydrophobicContact CE1-CG 4.05Å; Y280-Q290 HydrophobicContact CE2-CG 4.02Å; Y280-Q290 HydrophobicContact CG-CB 4.29Å; Y280-Q290 HydrophobicContact CG-CG 3.85Å; T286-Q290 PolarHBondContact O-N 2.94Å; R287-Q290 VanDerWaalsContact O-CB 3.24Å; R287-Q290 WeakPolarHBondContact O-CB 3.28Å; R287-Q290 PolarHBondContact O-N 2.82Å; I288-Q290 VanDerWaalsContact C-N 3.3Å; I288-Q290 PolarHBondContact O-N 3.17Å; Q290-S292 VanDerWaalsContact C-N 3.35Å |
| 291 | E | 90.5 | Very high | 92.8 | Very high | 26 Ų | 26 | 26.6 Ų | 26.6 | 12% | 0.121 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -36.7 | 170.2 | -70.3 | -162.5 | 96.4 | 0 | 0 | 111.6 | N80 V164 K228 L289 L293 G295 N296 A297 | N80-E291 PolarHBondContact ND2-OE1 2.8Å; V164-E291 VanDerWaalsContact CG1-CD 3.49Å; V164-E291 HydrophobicContact CG1-CG 4.07Å; V164-E291 WeakPolarHBondContact CG1-OE2 3.42Å; K228-E291 IonicContact NZ-OE2 3.76Å; L289-E291 PolarHBondContact O-N 3.43Å; E291-L293 PolarHBondContact O-N 3.33Å; E291-G295 CarbonylContact O-C 3.58Å; E291-G295 VanDerWaalsContact O-CA 3.22Å; E291-G295 WeakPolarHBondContact O-CA 3.42Å; E291-G295 PolarHBondContact O-N 2.96Å; E291-N296 PolarHBondContact O-N 2.85Å; E291-A297 PolarHBondContact O-N 3.36Å |
| 292 | S | 91.5 | Very high | 93 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -27.2 | -177.8 | -47.3 | 0 | 0 | 0 | 0 | 114.3 | T82 L289 Q290 T299 N330 | T82-S292 WeakPolarHBondContact OG1-CB 3.38Å; T82-S292 PolarHBondContact OG1-OG 3.08Å; L289-S292 WeakPolarHBondContact O-CB 3.43Å; L289-S292 PolarHBondContact O-N 2.99Å; L289-S292 VanDerWaalsContact O-N 3.09Å; Q290-S292 VanDerWaalsContact C-N 3.35Å; S292-T299 WeakPolarHBondContact O-CB 3.26Å; S292-T299 PolarHBondContact O-OG1 2.79Å; S292-N330 PolarHBondContact O-ND2 3.04Å |
| 293 | L | 90.9 | Very high | 93.3 | Very high | 2 Ų | 2 | 14.6 Ų | 14.6 | 1% | 0.01 | 8% | 0.08 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -125.4 | 95 | -171.8 | -60.3 | 176.3 | 0 | 0 | 0 | 109.7 | I9 F84 L263 V266 I267 L270 Y280 L289 E291 T299 | I9-L293 HydrophobicContact CD1-CD2 3.74Å; F84-L293 HydrophobicContact CE2-CD2 4.12Å; L263-L293 HydrophobicContact CD1-CD1 3.47Å; L263-L293 VanDerWaalsContact CD1-CD1 3.47Å; V266-L293 HydrophobicContact CG1-CD1 4.35Å; I267-L293 HydrophobicContact CD1-CD1 4.05Å; I267-L293 HydrophobicContact CD1-CD2 3.82Å; I267-L293 HydrophobicContact CD1-CG 4.48Å; L270-L293 HydrophobicContact CD1-CB 3.98Å; L270-L293 WeakPolarHBondContact CD1-O 3.29Å; Y280-L293 WeakPolarHBondContact CE1-O 3.43Å; Y280-L293 PolarHBondContact OH-O 3.41Å; L289-L293 HydrophobicContact CB-CD1 4.35Å; L289-L293 PolarHBondContact O-N 3.4Å; E291-L293 PolarHBondContact O-N 3.33Å; L293-T299 HydrophobicContact CD2-CG2 4.48Å |
| 294 | G | 87 | Confident | 93.5 | Very high | 31 Ų | 31 | 14.5 Ų | 14.5 | 32% | 0.32 | 8% | 0.079 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 84.2 | 4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | N330 | G294-N330 WeakPolarHBondContact CA-OD1 3.27Å; G294-N330 PolarHBondContact N-OD1 3.19Å |
| 295 | G | 89.7 | Confident | 93.7 | Very high | 20 Ų | 20 | 12.9 Ų | 12.9 | 21% | 0.206 | 7% | 0.072 | C | C | . | . | S | Bend | trans | -110 | -153.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | E291 A297 N330 V331 | E291-G295 CarbonylContact O-C 3.58Å; E291-G295 VanDerWaalsContact O-CA 3.22Å; E291-G295 WeakPolarHBondContact O-CA 3.42Å; E291-G295 PolarHBondContact O-N 2.96Å; G295-A297 PolarHBondContact O-N 3.06Å; G295-N330 WeakPolarHBondContact O-CB 3.49Å; G295-V331 PolarHBondContact O-N 3.22Å |
| 296 | N | 91.6 | Very high | 93.7 | Very high | 26 Ų | 26 | 12.9 Ų | 12.9 | 14% | 0.139 | 7% | 0.072 | C | C | . | . | S | Bend | trans | -91.1 | 77.1 | 176.6 | -178.4 | 23 | 0 | 0 | 0 | 111.7 | N80 E291 Q333 N335 | N80-N296 VanDerWaalsContact CB-O 3.32Å; N80-N296 WeakPolarHBondContact CB-O 3.5Å; N80-N296 PolarHBondContact ND2-O 2.86Å; E291-N296 PolarHBondContact O-N 2.85Å; N296-Q333 PolarHBondContact ND2-O 2.85Å; N296-Q333 PolarHBondContact OD1-N 2.86Å; N296-Q333 PolarHBondContact OD1-O 3.19Å; N296-Q333 VanDerWaalsContact OD1-O 3.11Å; N296-N335 PolarHBondContact ND2-OD1 3.43Å; N296-N335 VanDerWaalsContact ND2-OD1 3.1Å |
| 297 | A | 93.2 | Very high | 93.8 | Very high | 1 Ų | 1 | 12.8 Ų | 12.8 | 1% | 0.008 | 7% | 0.072 | C | C | . | . | S | Bend | trans | -157.3 | 151.6 | 165.7 | 0 | 0 | 0 | 0 | 0 | 112 | N80 E291 G295 N330 | N80-A297 HydrophobicContact CB-CB 3.79Å; N80-A297 CarbonylContact O-C 3.6Å; N80-A297 WeakPolarHBondContact O-CA 3.4Å; E291-A297 PolarHBondContact O-N 3.36Å; G295-A297 PolarHBondContact O-N 3.06Å; A297-N330 WeakPolarHBondContact O-CB 3.39Å; A297-N330 PolarHBondContact O-ND2 3.01Å |
| 298 | R | 93.8 | Very high | 93.8 | Very high | 38 Ų | 38 | 10.6 Ų | 10.6 | 14% | 0.143 | 6% | 0.064 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 113.8 | 168.4 | -65.4 | 178.3 | 175.6 | -100.7 | -6 | 109 | E7 D74 N80 G81 T82 V332 | E7-R298 IonicContact OE1-NH1 2.67Å; E7-R298 IonicContact OE2-CZ 2.63Å; E7-R298 IonicContact OE2-NE 2.88Å; E7-R298 IonicContact OE2-NH1 3.33Å; E7-R298 PolarHBondContact OE2-NH1 2.87Å; E7-R298 IonicContact OE2-NH2 3.68Å; D74-R298 VanDerWaalsContact CB-CD 3.48Å; D74-R298 VanDerWaalsContact CG-NE 3.33Å; D74-R298 IonicContact OD1-CZ 3.74Å; D74-R298 IonicContact OD1-NE 3.2Å; D74-R298 IonicContact OD1-NH1 2.64Å; D74-R298 IonicContact OD1-NH2 3.06Å; D74-R298 WeakPolarHBondContact OD2-CD 3.42Å; D74-R298 IonicContact OD2-CZ 3.67Å; D74-R298 IonicContact OD2-NE 3.73Å; D74-R298 PolarHBondContact OD2-NE 2.74Å; D74-R298 VanDerWaalsContact OD2-NE 3.17Å; D74-R298 IonicContact OD2-NH1 3.31Å; D74-R298 PolarHBondContact OD2-NH1 3.12Å; N80-R298 PolarHBondContact O-N 3.45Å; G81-R298 CarbonylContact C-O 3.6Å; G81-R298 WeakPolarHBondContact CA-O 3.39Å; T82-R298 PolarHBondContact N-O 3.03Å; R298-V332 HydrophobicContact CG-CB 4.45Å; R298-V332 HydrophobicContact CG-CG1 3.65Å; R298-V332 HydrophobicContact CG-CG2 3.97Å |
| 299 | T | 95.5 | Very high | 93.7 | Very high | 8 Ų | 8 | 12.6 Ų | 12.6 | 5% | 0.049 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 124.6 | -168.8 | -63.4 | 0 | 0 | 0 | 0 | 111.9 | I9 K10 T82 F84 S292 L293 I301 N330 | I9-T299 HydrophobicContact CD1-CG2 4.16Å; I9-T299 HydrophobicContact CG1-CG2 4.38Å; I9-T299 HydrophobicContact CG2-CG2 3.97Å; K10-T299 PolarHBondContact N-O 3.02Å; T82-T299 WeakPolarHBondContact O-CA 3.26Å; F84-T299 HydrophobicContact CD2-CG2 3.79Å; F84-T299 HydrophobicContact CE2-CG2 3.52Å; S292-T299 WeakPolarHBondContact O-CB 3.26Å; S292-T299 PolarHBondContact O-OG1 2.79Å; L293-T299 HydrophobicContact CD2-CG2 4.48Å; T299-I301 HydrophobicContact CG2-CG1 4.38Å; T299-N330 PolarHBondContact OG1-ND2 3.05Å |
| 300 | T | 96.4 | Very high | 93.6 | Very high | 3 Ų | 3 | 19.8 Ų | 19.8 | 2% | 0.018 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 134.7 | 167.1 | -73.3 | 0 | 0 | 0 | 0 | 109.8 | K10 F12 A67 I71 T82 I83 F84 V302 | K10-T300 CarbonylContact O-C 3.58Å; K10-T300 WeakPolarHBondContact O-CA 3.22Å; F12-T300 HydrophobicContact CD2-CG2 3.57Å; F12-T300 HydrophobicContact CE2-CG2 3.73Å; A67-T300 HydrophobicContact CB-CG2 4.17Å; A67-T300 WeakPolarHBondContact O-CG2 3.38Å; A67-T300 PolarHBondContact O-OG1 3.15Å; A67-T300 VanDerWaalsContact O-OG1 3.14Å; I71-T300 WeakPolarHBondContact CD1-OG1 3.44Å; T82-T300 PolarHBondContact O-N 3.18Å; I83-T300 WeakPolarHBondContact CA-O 3.45Å; F84-T300 PolarHBondContact N-O 2.93Å; T300-V302 HydrophobicContact CG2-CG2 4.13Å |
| 301 | I | 96.8 | Very high | 93.5 | Very high | 4 Ų | 4 | 17.7 Ų | 17.7 | 2% | 0.021 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 122.4 | 168.8 | -60.6 | 167.6 | 0 | 0 | 0 | 109.1 | I9 K10 V11 F12 F84 T299 I303 F321 A325 | I9-I301 HydrophobicContact CG2-CD1 3.72Å; I9-I301 HydrophobicContact CG2-CG1 4Å; K10-I301 PolarHBondContact O-N 2.77Å; V11-I301 CarbonylContact C-O 3.58Å; V11-I301 WeakPolarHBondContact CA-O 3.22Å; V11-I301 HydrophobicContact CG2-CB 4.4Å; F12-I301 PolarHBondContact N-O 3.05Å; F84-I301 HydrophobicContact CB-CB 4.44Å; F84-I301 HydrophobicContact CB-CG1 4.14Å; F84-I301 HydrophobicContact CB-CG2 4.33Å; F84-I301 HydrophobicContact CD2-CD1 4.5Å; F84-I301 HydrophobicContact CD2-CG1 3.64Å; F84-I301 HydrophobicContact CG-CG1 4.27Å; T299-I301 HydrophobicContact CG2-CG1 4.38Å; I301-I303 HydrophobicContact CG2-CG2 3.76Å; I301-F321 HydrophobicContact CG2-CE1 4.47Å; I301-A325 HydrophobicContact CD1-CB 3.54Å |
| 302 | V | 97.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 104.5 | 169.5 | -168.4 | 0 | 0 | 0 | 0 | 109.1 | F12 R14 A67 F84 A85 Y86 T96 I109 T300 | F12-V302 HydrophobicContact CB-CG1 4.5Å; F12-V302 HydrophobicContact CB-CG2 4.47Å; F12-V302 CarbonylContact O-C 3.52Å; F12-V302 WeakPolarHBondContact O-CA 3.48Å; R14-V302 HydrophobicContact CB-CG1 4.34Å; A67-V302 HydrophobicContact CB-CG2 4.06Å; F84-V302 PolarHBondContact O-N 2.76Å; A85-V302 WeakPolarHBondContact CA-O 3.4Å; Y86-V302 PolarHBondContact N-O 3.14Å; T96-V302 HydrophobicContact CG2-CG1 4.06Å; I109-V302 HydrophobicContact CD1-CG2 4.38Å; T300-V302 HydrophobicContact CG2-CG2 4.13Å |
| 303 | I | 97.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 117 | 175 | 65.8 | 173.4 | 0 | 0 | 0 | 110.2 | V11 F12 C13 R14 F50 Y86 I301 T318 L319 F321 | V11-I303 HydrophobicContact CG1-CD1 4.48Å; V11-I303 HydrophobicContact CG1-CG2 4.34Å; F12-I303 WeakPolarHBondContact O-CG1 3.39Å; F12-I303 PolarHBondContact O-N 2.69Å; C13-I303 CarbonylContact C-O 3.2Å; C13-I303 HydrophobicContact CB-CD1 4.09Å; C13-I303 HydrophobicContact CB-CG1 3.82Å; R14-I303 PolarHBondContact N-O 3.25Å; F50-I303 HydrophobicContact CD1-CD1 4.27Å; F50-I303 HydrophobicContact CE1-CD1 3.6Å; F50-I303 HydrophobicContact CE2-CD1 4.21Å; F50-I303 HydrophobicContact CZ-CD1 3.57Å; Y86-I303 HydrophobicContact CD1-CG2 4.29Å; Y86-I303 CarbonylContact O-C 3.34Å; Y86-I303 WeakPolarHBondContact O-CA 3.25Å; I301-I303 HydrophobicContact CG2-CG2 3.76Å; I303-T318 HydrophobicContact CB-CG2 3.85Å; I303-T318 HydrophobicContact CG2-CG2 4.46Å; I303-L319 HydrophobicContact CD1-CD2 4.12Å; I303-F321 HydrophobicContact CG2-CD1 4.49Å |
| 304 | C | 97.4 | Very high | 93.8 | Very high | 1 Ų | 1 | 21.2 Ų | 21.2 | 1% | 0.007 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 122.1 | -179.1 | -61.9 | 0 | 0 | 0 | 0 | 109.9 | Y86 S91 K93 | Y86-C304 PolarHBondContact O-N 3.27Å; S91-C304 VanDerWaalsContact CB-O 3.26Å; S91-C304 WeakPolarHBondContact CB-O 3.29Å; S91-C304 WeakPolarHBondContact OG-CB 3.35Å; S91-C304 PolarHBondContact OG-O 2.94Å; K93-C304 HydrophobicContact CG-CB 3.89Å |
| 305 | C | 97.1 | Very high | 94.2 | Very high | 1 Ų | 1 | 19.7 Ų | 19.7 | 1% | 0.007 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 140.8 | -172.8 | -67.1 | 0 | 0 | 0 | 0 | 111.6 | R14 F15 T315 | R14-C305 PolarHBondContact O-N 3.49Å; F15-C305 HydrophobicContact CD1-CB 3.66Å; F15-C305 HydrophobicContact CE1-CB 3.4Å; F15-C305 VanDerWaalsContact CE1-CB 3.4Å; F15-C305 HydrophobicContact CE2-CB 4.28Å; F15-C305 HydrophobicContact CG-CB 4.22Å; F15-C305 HydrophobicContact CZ-CB 3.74Å; C305-T315 HydrophobicContact CB-CG2 3.97Å |
| 306 | S | 94.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 12% | 0.115 | C | C | . | . | trans | -82.2 | 138.8 | 168.9 | 170.3 | 0 | 0 | 0 | 0 | 110.2 | E22 A308 N311 T315 | E22-S306 PolarHBondContact OE1-OG 2.89Å; S306-A308 VanDerWaalsContact C-N 3.32Å; S306-A308 PolarHBondContact OG-N 2.83Å; S306-N311 WeakPolarHBondContact OG-CB 3.35Å; S306-N311 PolarHBondContact OG-ND2 2.9Å; S306-T315 PolarHBondContact N-OG1 3Å; S306-T315 PolarHBondContact O-OG1 3.08Å | ||
| 307 | P | 94.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.122 | C | C | . | . | trans | -82.6 | -4.1 | 174.4 | 37.3 | -39.9 | 0 | 0 | 0 | 113.7 | R16 L18 Y29 I30 P31 | R16-P307 WeakPolarHBondContact O-CD 3.42Å; R16-P307 VanDerWaalsContact O-CG 3.26Å; R16-P307 WeakPolarHBondContact O-CG 3.24Å; L18-P307 HydrophobicContact CD2-CG 3.91Å; L18-P307 HydrophobicContact CG-CG 4.05Å; Y29-P307 CarbonylContact C-O 3.6Å; Y29-P307 WeakPolarHBondContact CA-O 3.46Å; Y29-P307 HydrophobicContact CD2-CB 3.58Å; Y29-P307 HydrophobicContact CD2-CG 4.28Å; Y29-P307 HydrophobicContact CE2-CB 3.47Å; Y29-P307 VanDerWaalsContact CE2-CB 3.47Å; Y29-P307 HydrophobicContact CE2-CG 4.23Å; Y29-P307 HydrophobicContact CG-CB 4.47Å; I30-P307 WeakPolarHBondContact CG1-O 3.37Å; I30-P307 PolarHBondContact N-O 2.68Å; P31-P307 HydrophobicContact CG-CB 4.08Å | ||
| 308 | A | 94 | Very high | 94.7 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.122 | C | C | . | . | B | Isolated β-bridge | trans | -80.8 | 140.3 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | L18 E22 K28 S306 F310 N311 E312 | L18-A308 HydrophobicContact CD2-CB 3.78Å; E22-A308 HydrophobicContact CB-CB 4.15Å; E22-A308 HydrophobicContact CG-CB 3.75Å; E22-A308 WeakPolarHBondContact OE1-CB 3.28Å; K28-A308 CarbonylContact O-C 3.52Å; S306-A308 VanDerWaalsContact C-N 3.32Å; S306-A308 PolarHBondContact OG-N 2.83Å; A308-F310 VanDerWaalsContact C-N 3.29Å; A308-F310 PolarHBondContact O-N 3.31Å; A308-N311 HydrophobicContact CB-CB 4.41Å; A308-N311 CarbonylContact O-C 3.6Å; A308-N311 WeakPolarHBondContact O-CA 3.44Å; A308-N311 WeakPolarHBondContact O-CB 3.45Å; A308-N311 PolarHBondContact O-N 3.44Å; A308-E312 PolarHBondContact O-N 3.29Å |
| 309 | S | 92.6 | Very high | 94.8 | Very high | 46 Ų | 46 | 20.6 Ų | 20.6 | 32% | 0.322 | 12% | 0.115 | S | C | . | . | G | 310 helix | trans | -60.3 | -34 | 178 | 56.7 | 0 | 0 | 0 | 0 | 114 | K28 I30 N311 E312 | K28-S309 PolarHBondContact N-OG 2.91Å; K28-S309 PolarHBondContact O-N 2.82Å; I30-S309 VanDerWaalsContact CG2-CA 3.47Å; S309-N311 PolarHBondContact O-N 2.93Å; S309-E312 WeakPolarHBondContact O-CB 3.34Å; S309-E312 PolarHBondContact O-N 2.82Å |
| 310 | F | 89.6 | Confident | 94.8 | Very high | 152 Ų | 152 | 23.6 Ų | 23.6 | 67% | 0.667 | 13% | 0.131 | S | C | * | . | G | 310 helix | trans | -58.7 | -27 | 172 | 179.7 | -102.5 | 0 | 0 | 0 | 113.1 | K242 A308 | K242-F310 PolarHBondContact NZ-O 3.05Å; A308-F310 VanDerWaalsContact C-N 3.29Å; A308-F310 PolarHBondContact O-N 3.31Å |
| 311 | N | 91.5 | Very high | 94.8 | Very high | 13 Ų | 13 | 23.7 Ų | 23.7 | 7% | 0.07 | 13% | 0.131 | C | C | . | . | G | 310 helix | trans | -99.6 | -0.8 | -176.7 | -75.5 | -39.6 | 0 | 0 | 0 | 114 | E22 Q88 S306 A308 S309 G313 E314 T315 | E22-N311 PolarHBondContact OE1-ND2 3.19Å; Q88-N311 VanDerWaalsContact NE2-CG 3.27Å; Q88-N311 PolarHBondContact NE2-OD1 3.25Å; Q88-N311 VanDerWaalsContact OE1-CB 3.28Å; S306-N311 WeakPolarHBondContact OG-CB 3.35Å; S306-N311 PolarHBondContact OG-ND2 2.9Å; A308-N311 HydrophobicContact CB-CB 4.41Å; A308-N311 CarbonylContact O-C 3.6Å; A308-N311 WeakPolarHBondContact O-CA 3.44Å; A308-N311 WeakPolarHBondContact O-CB 3.45Å; A308-N311 PolarHBondContact O-N 3.44Å; S309-N311 PolarHBondContact O-N 2.93Å; N311-G313 VanDerWaalsContact C-N 3.26Å; N311-G313 PolarHBondContact O-N 3.29Å; N311-G313 VanDerWaalsContact O-N 3.08Å; N311-E314 PolarHBondContact O-N 2.73Å; N311-T315 PolarHBondContact O-N 2.98Å |
| 312 | E | 92.8 | Very high | 94.7 | Very high | 52 Ų | 52 | 23.5 Ų | 23.5 | 24% | 0.243 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -51 | -39.8 | -175.1 | 179.3 | 172 | -175.1 | 0 | 0 | 114.1 | I30 V43 G44 A308 S309 K316 | I30-E312 HydrophobicContact CD1-CB 3.57Å; I30-E312 HydrophobicContact CD1-CG 3.84Å; V43-E312 HydrophobicContact CG1-CG 4.24Å; G44-E312 WeakPolarHBondContact CA-OE1 3.44Å; A308-E312 PolarHBondContact O-N 3.29Å; S309-E312 WeakPolarHBondContact O-CB 3.34Å; S309-E312 PolarHBondContact O-N 2.82Å; E312-K316 HydrophobicContact CG-CD 4.1Å; E312-K316 HydrophobicContact CG-CG 4.42Å; E312-K316 WeakPolarHBondContact O-CB 3.19Å; E312-K316 VanDerWaalsContact O-CG 3.32Å; E312-K316 WeakPolarHBondContact O-CG 3.49Å; E312-K316 PolarHBondContact O-N 3.47Å; E312-K316 WeakPolarHBondContact OE1-CE 3.25Å; E312-K316 IonicContact OE1-NZ 2.71Å; E312-K316 PolarHBondContact OE1-NZ 3.29Å |
| 313 | G | 92.2 | Very high | 94.6 | Very high | 41 Ų | 41 | 25.4 Ų | 25.4 | 42% | 0.423 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -65.7 | -36.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | N311 S317 | N311-G313 VanDerWaalsContact C-N 3.26Å; N311-G313 PolarHBondContact O-N 3.29Å; N311-G313 VanDerWaalsContact O-N 3.08Å; G313-S317 WeakPolarHBondContact O-CB 3.48Å; G313-S317 PolarHBondContact O-N 3.02Å; G313-S317 VanDerWaalsContact O-N 3.16Å; G313-S317 PolarHBondContact O-OG 3.45Å |
| 314 | E | 93.4 | Very high | 94.4 | Very high | 8 Ų | 8 | 29.8 Ų | 29.8 | 4% | 0.037 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -80.3 | -39.2 | 178.5 | -52.7 | -50.5 | 148.5 | 0 | 0 | 110.5 | Q88 E238 K242 N311 K316 S317 T318 | Q88-E314 HydrophobicContact CB-CB 4.25Å; E238-E314 HydrophobicContact CB-CG 4.24Å; K242-E314 HydrophobicContact CD-CG 4.04Å; K242-E314 WeakPolarHBondContact CD-OE1 3.42Å; K242-E314 VanDerWaalsContact CE-OE1 3.28Å; K242-E314 WeakPolarHBondContact CE-OE1 3.43Å; N311-E314 PolarHBondContact O-N 2.73Å; E314-K316 PolarHBondContact O-N 3.37Å; E314-S317 PolarHBondContact O-N 2.91Å; E314-T318 WeakPolarHBondContact O-CB 3.03Å; E314-T318 PolarHBondContact O-N 3.43Å; E314-T318 PolarHBondContact O-OG1 3.32Å |
| 315 | T | 95.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -57.6 | -47.3 | 170.4 | -73 | 0 | 0 | 0 | 0 | 111.2 | F15 V43 C305 S306 N311 S317 T318 L319 | F15-T315 HydrophobicContact CE1-CG2 3.92Å; F15-T315 HydrophobicContact CZ-CG2 4.26Å; V43-T315 HydrophobicContact CG1-CG2 4.28Å; V43-T315 HydrophobicContact CG2-CG2 4.45Å; C305-T315 HydrophobicContact CB-CG2 3.97Å; S306-T315 PolarHBondContact N-OG1 3Å; S306-T315 PolarHBondContact O-OG1 3.08Å; N311-T315 PolarHBondContact O-N 2.98Å; T315-S317 VanDerWaalsContact C-N 3.34Å; T315-S317 PolarHBondContact O-N 3.23Å; T315-T318 WeakPolarHBondContact O-CB 3.17Å; T315-T318 PolarHBondContact O-N 2.91Å; T315-L319 HydrophobicContact CG2-CD1 3.78Å; T315-L319 HydrophobicContact CG2-CG 4.4Å; T315-L319 WeakPolarHBondContact O-CD1 3.27Å; T315-L319 WeakPolarHBondContact O-CG 3.37Å; T315-L319 PolarHBondContact O-N 2.85Å |
| 316 | K | 95.7 | Very high | 94.2 | Very high | 62 Ų | 62 | 32.5 Ų | 32.5 | 27% | 0.27 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -59.5 | -42.1 | 174.2 | -78.4 | 175.6 | -178 | 169 | 0 | 112.7 | V43 E312 E314 T318 L319 L320 | V43-K316 HydrophobicContact CG1-CG 4.15Å; E312-K316 HydrophobicContact CG-CD 4.1Å; E312-K316 HydrophobicContact CG-CG 4.42Å; E312-K316 WeakPolarHBondContact O-CB 3.19Å; E312-K316 VanDerWaalsContact O-CG 3.32Å; E312-K316 WeakPolarHBondContact O-CG 3.49Å; E312-K316 PolarHBondContact O-N 3.47Å; E312-K316 WeakPolarHBondContact OE1-CE 3.25Å; E312-K316 IonicContact OE1-NZ 2.71Å; E312-K316 PolarHBondContact OE1-NZ 3.29Å; E314-K316 PolarHBondContact O-N 3.37Å; K316-T318 VanDerWaalsContact C-N 3.32Å; K316-L319 PolarHBondContact O-N 3.5Å; K316-L320 WeakPolarHBondContact O-CB 3.42Å; K316-L320 VanDerWaalsContact O-CG 3.27Å; K316-L320 WeakPolarHBondContact O-CG 3.37Å; K316-L320 PolarHBondContact O-N 3.15Å |
| 317 | S | 94.1 | Very high | 94.1 | Very high | 41 Ų | 41 | 36.3 Ų | 36.3 | 29% | 0.287 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -64.6 | -38.8 | 178.1 | -58 | 0 | 0 | 0 | 0 | 111.6 | G313 E314 T315 L320 F321 | G313-S317 WeakPolarHBondContact O-CB 3.48Å; G313-S317 PolarHBondContact O-N 3.02Å; G313-S317 VanDerWaalsContact O-N 3.16Å; G313-S317 PolarHBondContact O-OG 3.45Å; E314-S317 PolarHBondContact O-N 2.91Å; T315-S317 VanDerWaalsContact C-N 3.34Å; T315-S317 PolarHBondContact O-N 3.23Å; S317-L320 PolarHBondContact O-N 2.99Å; S317-F321 PolarHBondContact O-N 3.49Å |
| 318 | T | 95.7 | Very high | 94 | Very high | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.006 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -66.5 | -44.5 | 176.3 | -58.8 | 0 | 0 | 0 | 0 | 112 | Y86 I303 E314 T315 K316 L320 F321 G322 | Y86-T318 HydrophobicContact CD1-CG2 4.07Å; Y86-T318 HydrophobicContact CE1-CG2 4.23Å; I303-T318 HydrophobicContact CB-CG2 3.85Å; I303-T318 HydrophobicContact CG2-CG2 4.46Å; E314-T318 WeakPolarHBondContact O-CB 3.03Å; E314-T318 PolarHBondContact O-N 3.43Å; E314-T318 PolarHBondContact O-OG1 3.32Å; T315-T318 WeakPolarHBondContact O-CB 3.17Å; T315-T318 PolarHBondContact O-N 2.91Å; K316-T318 VanDerWaalsContact C-N 3.32Å; T318-L320 PolarHBondContact O-N 2.93Å; T318-F321 WeakPolarHBondContact O-CB 3.31Å; T318-F321 PolarHBondContact O-N 3.41Å; T318-G322 PolarHBondContact O-N 3.44Å; T318-G322 VanDerWaalsContact O-N 3.08Å |
| 319 | L | 97 | Very high | 93.9 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.5 | -39.8 | 175.1 | -65.1 | 162.6 | 0 | 0 | 0 | 112 | F15 V41 V43 Y48 F50 I303 T315 K316 F321 G322 A323 | F15-L319 HydrophobicContact CZ-CD2 4.4Å; V41-L319 HydrophobicContact CG1-CD2 3.97Å; V43-L319 HydrophobicContact CB-CD1 4.02Å; V43-L319 HydrophobicContact CG2-CD1 3.71Å; Y48-L319 HydrophobicContact CD1-CB 3.59Å; Y48-L319 HydrophobicContact CD2-CB 4.32Å; Y48-L319 HydrophobicContact CD2-CD1 3.92Å; Y48-L319 HydrophobicContact CE1-CB 3.63Å; Y48-L319 HydrophobicContact CE2-CB 4.38Å; Y48-L319 HydrophobicContact CE2-CD1 3.91Å; Y48-L319 HydrophobicContact CG-CB 3.94Å; Y48-L319 HydrophobicContact CG-CD1 4.31Å; F50-L319 HydrophobicContact CE2-CD2 3.54Å; F50-L319 HydrophobicContact CZ-CB 4.26Å; F50-L319 HydrophobicContact CZ-CD2 3.78Å; I303-L319 HydrophobicContact CD1-CD2 4.12Å; T315-L319 HydrophobicContact CG2-CD1 3.78Å; T315-L319 HydrophobicContact CG2-CG 4.4Å; T315-L319 WeakPolarHBondContact O-CD1 3.27Å; T315-L319 WeakPolarHBondContact O-CG 3.37Å; T315-L319 PolarHBondContact O-N 2.85Å; K316-L319 PolarHBondContact O-N 3.5Å; L319-F321 VanDerWaalsContact C-N 3.33Å; L319-F321 PolarHBondContact O-N 3.46Å; L319-G322 PolarHBondContact O-N 3.18Å; L319-A323 WeakPolarHBondContact O-CB 3.36Å; L319-A323 PolarHBondContact O-N 3.09Å |
| 320 | L | 95.2 | Very high | 93.9 | Very high | 70 Ų | 70 | 41.2 Ų | 41.2 | 37% | 0.366 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -69.7 | -25.7 | 174.6 | -70.9 | 170 | 0 | 0 | 0 | 113.5 | Y48 K316 S317 T318 R324 | Y48-L320 HydrophobicContact CE1-CD2 3.87Å; Y48-L320 HydrophobicContact CE1-CG 4.01Å; K316-L320 WeakPolarHBondContact O-CB 3.42Å; K316-L320 VanDerWaalsContact O-CG 3.27Å; K316-L320 WeakPolarHBondContact O-CG 3.37Å; K316-L320 PolarHBondContact O-N 3.15Å; S317-L320 PolarHBondContact O-N 2.99Å; T318-L320 PolarHBondContact O-N 2.93Å; L320-R324 PolarHBondContact O-N 3.22Å; L320-R324 PolarHBondContact O-NE 3.19Å |
| 321 | F | 95.3 | Very high | 94 | Very high | 6 Ų | 6 | 37.3 Ų | 37.3 | 3% | 0.026 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -68.9 | -53.7 | 170.4 | 175.8 | -89.8 | 0 | 0 | 0 | 110.7 | Y86 L263 I267 I301 I303 S317 T318 L319 A323 R324 A325 | Y86-F321 HydrophobicContact CD1-CB 4.36Å; Y86-F321 AromaticContact CD1-CD1 3.4Å; Y86-F321 HydrophobicContact CD1-CD1 3.4Å; Y86-F321 VanDerWaalsContact CD1-CD1 3.4Å; Y86-F321 AromaticContact CD1-CE1 3.8Å; Y86-F321 HydrophobicContact CD1-CE1 3.8Å; Y86-F321 AromaticContact CD1-CG 3.94Å; Y86-F321 HydrophobicContact CD1-CG 3.94Å; Y86-F321 HydrophobicContact CD2-CE1 4.32Å; Y86-F321 HydrophobicContact CD2-CZ 4.49Å; Y86-F321 HydrophobicContact CE1-CB 3.68Å; Y86-F321 AromaticContact CE1-CD1 3.48Å; Y86-F321 HydrophobicContact CE1-CD1 3.48Å; Y86-F321 VanDerWaalsContact CE1-CD1 3.48Å; Y86-F321 HydrophobicContact CE1-CD2 4.12Å; Y86-F321 HydrophobicContact CE1-CE1 4.12Å; Y86-F321 AromaticContact CE1-CG 3.49Å; Y86-F321 HydrophobicContact CE1-CG 3.49Å; Y86-F321 VanDerWaalsContact CE1-CG 3.49Å; Y86-F321 HydrophobicContact CG-CD1 4.01Å; Y86-F321 AromaticContact CG-CE1 3.9Å; Y86-F321 HydrophobicContact CG-CE1 3.9Å; Y86-F321 AromaticContact CZ-CG 3.9Å; L263-F321 HydrophobicContact CD2-CE2 4.45Å; L263-F321 HydrophobicContact CD2-CZ 4.11Å; L263-F321 HydrophobicContact CG-CE2 4.2Å; L263-F321 HydrophobicContact CG-CZ 4.15Å; I267-F321 HydrophobicContact CB-CE2 4.28Å; I267-F321 HydrophobicContact CD1-CZ 4.46Å; I267-F321 HydrophobicContact CG1-CE2 3.77Å; I267-F321 HydrophobicContact CG1-CZ 3.87Å; I267-F321 HydrophobicContact CG2-CE2 4.42Å; I301-F321 HydrophobicContact CG2-CE1 4.47Å; I303-F321 HydrophobicContact CG2-CD1 4.49Å; S317-F321 PolarHBondContact O-N 3.49Å; T318-F321 WeakPolarHBondContact O-CB 3.31Å; T318-F321 PolarHBondContact O-N 3.41Å; L319-F321 VanDerWaalsContact C-N 3.33Å; L319-F321 PolarHBondContact O-N 3.46Å; F321-A323 VanDerWaalsContact C-N 3.33Å; F321-A323 PolarHBondContact O-N 2.88Å; F321-R324 PolarHBondContact O-N 2.85Å; F321-A325 PolarHBondContact O-N 2.82Å |
| 322 | G | 95.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60.2 | -40.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | T318 L319 R324 A325 K326 | T318-G322 PolarHBondContact O-N 3.44Å; T318-G322 VanDerWaalsContact O-N 3.08Å; L319-G322 PolarHBondContact O-N 3.18Å; G322-R324 VanDerWaalsContact C-N 3.28Å; G322-R324 PolarHBondContact O-N 2.82Å; G322-A325 PolarHBondContact O-N 2.86Å; G322-A325 VanDerWaalsContact O-N 3.16Å; G322-K326 PolarHBondContact O-N 3Å |
| 323 | A | 95 | Very high | 93.7 | Very high | 39 Ų | 39 | 38.9 Ų | 38.9 | 32% | 0.322 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -63 | -32.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113 | F50 L319 F321 | F50-A323 HydrophobicContact CE1-CB 4.5Å; L319-A323 WeakPolarHBondContact O-CB 3.36Å; L319-A323 PolarHBondContact O-N 3.09Å; F321-A323 VanDerWaalsContact C-N 3.33Å; F321-A323 PolarHBondContact O-N 2.88Å |
| 324 | R | 94.6 | Very high | 93.7 | Very high | 92 Ų | 92 | 39.7 Ų | 39.7 | 35% | 0.347 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -73.3 | -47.6 | 170.6 | -74.3 | 176.2 | -69.9 | 158.2 | -0.3 | 111 | I267 S268 A271 L320 F321 G322 K326 T327 | I267-R324 HydrophobicContact CG2-CB 3.93Å; S268-R324 PolarHBondContact OG-NH1 2.88Å; A271-R324 HydrophobicContact CB-CB 4.24Å; L320-R324 PolarHBondContact O-N 3.22Å; L320-R324 PolarHBondContact O-NE 3.19Å; F321-R324 PolarHBondContact O-N 2.85Å; G322-R324 VanDerWaalsContact C-N 3.28Å; G322-R324 PolarHBondContact O-N 2.82Å; R324-K326 VanDerWaalsContact C-N 3.27Å; R324-K326 PolarHBondContact O-N 2.66Å; R324-T327 PolarHBondContact O-N 2.85Å; R324-T327 PolarHBondContact O-OG1 2.9Å |
| 325 | A | 94.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59.5 | -35.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | V11 I267 I301 F321 G322 T327 I328 | V11-A325 HydrophobicContact CG2-CB 4.35Å; I267-A325 HydrophobicContact CD1-CB 4.12Å; I267-A325 HydrophobicContact CG2-CB 4.11Å; I301-A325 HydrophobicContact CD1-CB 3.54Å; F321-A325 PolarHBondContact O-N 2.82Å; G322-A325 PolarHBondContact O-N 2.86Å; G322-A325 VanDerWaalsContact O-N 3.16Å; A325-T327 PolarHBondContact O-N 2.85Å; A325-T327 VanDerWaalsContact O-N 3.12Å; A325-I328 WeakPolarHBondContact O-CB 3.42Å; A325-I328 PolarHBondContact O-N 3.31Å; A325-I328 VanDerWaalsContact O-N 3.08Å |
| 326 | K | 94.6 | Very high | 93 | Very high | 59 Ų | 59 | 44.3 Ų | 44.3 | 26% | 0.257 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -23.2 | 175.8 | -171.7 | 169.3 | -178.2 | 168.9 | 0 | 114 | V11 F50 D51 G322 R324 I328 | V11-K326 HydrophobicContact CB-CB 4.21Å; V11-K326 HydrophobicContact CG2-CB 3.71Å; V11-K326 HydrophobicContact CG2-CG 4.42Å; F50-K326 PolarHBondContact O-NZ 2.71Å; D51-K326 VanDerWaalsContact CG-CE 3.44Å; D51-K326 WeakPolarHBondContact OD1-CE 3.35Å; D51-K326 IonicContact OD1-NZ 3.82Å; D51-K326 PolarHBondContact OD1-NZ 2.81Å; D51-K326 WeakPolarHBondContact OD2-CE 3.43Å; D51-K326 IonicContact OD2-NZ 3.57Å; D51-K326 PolarHBondContact OD2-NZ 3.25Å; G322-K326 PolarHBondContact O-N 3Å; R324-K326 VanDerWaalsContact C-N 3.27Å; R324-K326 PolarHBondContact O-N 2.66Å; K326-I328 VanDerWaalsContact C-N 3.35Å |
| 327 | T | 92.7 | Very high | 92.2 | Very high | 81 Ų | 81 | 46.8 Ų | 46.8 | 50% | 0.497 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -14.6 | 179.4 | 67.1 | 0 | 0 | 0 | 0 | 113.7 | A271 R324 A325 | A271-T327 WeakPolarHBondContact CA-OG1 3.28Å; A271-T327 WeakPolarHBondContact CB-OG1 3.35Å; R324-T327 PolarHBondContact O-N 2.85Å; R324-T327 PolarHBondContact O-OG1 2.9Å; A325-T327 PolarHBondContact O-N 2.85Å; A325-T327 VanDerWaalsContact O-N 3.12Å |
| 328 | I | 93.3 | Very high | 91.2 | Very high | 3 Ų | 3 | 45.9 Ų | 45.9 | 2% | 0.015 | 23% | 0.232 | C | C | . | . | trans | -75 | 137.8 | -178 | -58.5 | 173.6 | 0 | 0 | 0 | 109.5 | A8 I9 I267 L270 A271 A325 K326 | A8-I328 WeakPolarHBondContact CA-O 3.42Å; I9-I328 HydrophobicContact CD1-CB 3.81Å; I9-I328 HydrophobicContact CD1-CD1 4.38Å; I9-I328 HydrophobicContact CD1-CG2 3.73Å; I9-I328 HydrophobicContact CG1-CB 4.14Å; I9-I328 HydrophobicContact CG1-CG2 4.22Å; I9-I328 PolarHBondContact N-O 3.1Å; I267-I328 HydrophobicContact CB-CD1 4.34Å; I267-I328 HydrophobicContact CD1-CD1 3.43Å; I267-I328 VanDerWaalsContact CD1-CD1 3.43Å; I267-I328 HydrophobicContact CG1-CD1 4.43Å; I267-I328 HydrophobicContact CG2-CD1 4.14Å; L270-I328 HydrophobicContact CB-CD1 3.67Å; L270-I328 HydrophobicContact CB-CG1 3.76Å; L270-I328 HydrophobicContact CB-CG2 4.11Å; L270-I328 HydrophobicContact CD1-CD1 4.12Å; L270-I328 HydrophobicContact CD1-CG2 4.27Å; A271-I328 HydrophobicContact CB-CG1 4.41Å; A325-I328 WeakPolarHBondContact O-CB 3.42Å; A325-I328 PolarHBondContact O-N 3.31Å; A325-I328 VanDerWaalsContact O-N 3.08Å; K326-I328 VanDerWaalsContact C-N 3.35Å | ||
| 329 | K | 91.7 | Very high | 90.1 | Very high | 143 Ų | 143 | 47.7 Ų | 47.7 | 62% | 0.622 | 24% | 0.243 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 130 | 175.7 | -62.9 | -179.9 | -179.4 | -177.5 | 0 | 110.2 | E7 | E7-K329 WeakPolarHBondContact O-CA 3.44Å |
| 330 | N | 92.2 | Very high | 88.9 | Confident | 3 Ų | 3 | 51.9 Ų | 51.9 | 2% | 0.016 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 155.8 | 172.5 | -71.1 | 5.8 | 0 | 0 | 0 | 109.4 | S6 E7 S292 G294 G295 A297 T299 V332 | S6-N330 WeakPolarHBondContact CA-O 3.02Å; E7-N330 PolarHBondContact N-O 3.34Å; E7-N330 VanDerWaalsContact N-O 3.07Å; E7-N330 PolarHBondContact O-N 3.23Å; S292-N330 PolarHBondContact O-ND2 3.04Å; G294-N330 WeakPolarHBondContact CA-OD1 3.27Å; G294-N330 PolarHBondContact N-OD1 3.19Å; G295-N330 WeakPolarHBondContact O-CB 3.49Å; A297-N330 WeakPolarHBondContact O-CB 3.39Å; A297-N330 PolarHBondContact O-ND2 3.01Å; T299-N330 PolarHBondContact OG1-ND2 3.05Å; N330-V332 HydrophobicContact CB-CG2 4.27Å |
| 331 | V | 91.3 | Very high | 87.7 | Confident | 69 Ų | 69 | 55.8 Ų | 55.8 | 42% | 0.418 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 95.3 | 175.3 | 179.3 | 0 | 0 | 0 | 0 | 107.7 | G295 | G295-V331 PolarHBondContact O-N 3.22Å |
| 332 | V | 90.4 | Very high | 86.6 | Confident | 4 Ų | 4 | 57.8 Ų | 57.8 | 2% | 0.024 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 128.9 | -168.8 | -178.2 | 0 | 0 | 0 | 0 | 110.4 | G4 A5 E7 Y79 R298 N330 | G4-V332 CarbonylContact C-O 3.59Å; G4-V332 WeakPolarHBondContact CA-O 3.46Å; A5-V332 PolarHBondContact N-O 2.71Å; A5-V332 VanDerWaalsContact N-O 3.1Å; A5-V332 PolarHBondContact O-N 2.98Å; E7-V332 HydrophobicContact CB-CG2 4.22Å; Y79-V332 HydrophobicContact CD1-CG1 3.36Å; Y79-V332 HydrophobicContact CE1-CG1 3.71Å; Y79-V332 HydrophobicContact CG-CG1 4.19Å; R298-V332 HydrophobicContact CG-CB 4.45Å; R298-V332 HydrophobicContact CG-CG1 3.65Å; R298-V332 HydrophobicContact CG-CG2 3.97Å; N330-V332 HydrophobicContact CB-CG2 4.27Å |
| 333 | Q | 88.4 | Confident | 85.7 | Confident | 95 Ų | 95 | 64.9 Ų | 64.9 | 44% | 0.444 | 33% | 0.331 | S | S | . | . | trans | -135.3 | 143.1 | -177.5 | -58 | -176.4 | 15.6 | 0 | 0 | 109.9 | N296 | N296-Q333 PolarHBondContact ND2-O 2.85Å; N296-Q333 PolarHBondContact OD1-N 2.86Å; N296-Q333 PolarHBondContact OD1-O 3.19Å; N296-Q333 VanDerWaalsContact OD1-O 3.11Å | ||
| 334 | V | 91.1 | Very high | 84.8 | Confident | 57 Ų | 57 | 69.1 Ų | 69.1 | 35% | 0.345 | 34% | 0.342 | S | S | . | . | trans | -73.1 | 128.7 | 173.3 | -178.8 | 0 | 0 | 0 | 0 | 108.9 | Y79 L225 E336 | Y79-V334 HydrophobicContact CD1-CG2 3.98Å; Y79-V334 HydrophobicContact CE1-CB 4.34Å; Y79-V334 HydrophobicContact CE1-CG2 3.36Å; Y79-V334 HydrophobicContact CE2-CG2 3.99Å; L225-V334 HydrophobicContact CD2-CG1 3.85Å; V334-E336 VanDerWaalsContact C-N 3.31Å; V334-E336 HydrophobicContact CG1-CB 4.25Å; V334-E336 PolarHBondContact O-N 2.83Å | ||
| 335 | N | 88.5 | Confident | 83.9 | Confident | 46 Ų | 46 | 71.3 Ų | 71.3 | 25% | 0.246 | 35% | 0.35 | C | S | . | . | trans | -81.5 | 82.8 | 171.4 | -45.3 | -62.9 | 0 | 0 | 0 | 108.9 | G78 N80 S226 N296 | G78-N335 PolarHBondContact O-N 3.48Å; G78-N335 PolarHBondContact O-ND2 2.92Å; N80-N335 PolarHBondContact ND2-ND2 2.77Å; N80-N335 PolarHBondContact OD1-ND2 2.85Å; S226-N335 PolarHBondContact N-O 3.43Å; S226-N335 VanDerWaalsContact N-O 3.08Å; S226-N335 WeakPolarHBondContact O-CB 3.33Å; S226-N335 PolarHBondContact O-ND2 3.33Å; N296-N335 PolarHBondContact ND2-OD1 3.43Å; N296-N335 VanDerWaalsContact ND2-OD1 3.1Å | ||
| 336 | E | 85.2 | Confident | 83 | Confident | 60 Ų | 60 | 75.9 Ų | 75.9 | 28% | 0.28 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 111.4 | 178 | -174.8 | -175.7 | -132.2 | 0 | 0 | 110 | K223 L225 V334 L338 R346 | K223-E336 WeakPolarHBondContact CE-OE1 3.4Å; K223-E336 IonicContact NZ-OE1 2.73Å; K223-E336 PolarHBondContact NZ-OE1 3.11Å; L225-E336 HydrophobicContact CD2-CB 4.03Å; L225-E336 HydrophobicContact CD2-CG 4.07Å; V334-E336 VanDerWaalsContact C-N 3.31Å; V334-E336 HydrophobicContact CG1-CB 4.25Å; V334-E336 PolarHBondContact O-N 2.83Å; E336-L338 HydrophobicContact CG-CD1 4.49Å; E336-L338 HydrophobicContact CG-CD2 4.25Å; E336-L338 HydrophobicContact CG-CG 4.01Å; E336-R346 IonicContact OE2-NH1 2.61Å; E336-R346 PolarHBondContact OE2-NH1 3.4Å |
| 337 | E | 80.8 | Confident | 82.4 | Confident | 113 Ų | 113 | 80.7 Ų | 80.7 | 53% | 0.528 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 103.1 | 169.7 | -78.5 | -178.8 | -159.5 | 0 | 0 | 108.9 | K224 | K224-E337 HydrophobicContact CB-CB 3.93Å; K224-E337 PolarHBondContact N-O 3.5Å; K224-E337 PolarHBondContact O-N 3.34Å |
| 338 | L | 73 | Confident | 82.1 | Confident | 23 Ų | 23 | 80.3 Ų | 80.3 | 12% | 0.12 | 38% | 0.377 | C | S | . | . | trans | -84.8 | 145.4 | 177.1 | -64.5 | 142.8 | 0 | 0 | 0 | 110.8 | E336 E342 W343 | E336-L338 HydrophobicContact CG-CD1 4.49Å; E336-L338 HydrophobicContact CG-CD2 4.25Å; E336-L338 HydrophobicContact CG-CG 4.01Å; L338-E342 HydrophobicContact CD2-CB 4.32Å; L338-E342 HydrophobicContact CD2-CG 3.86Å; L338-W343 HydrophobicContact CB-CD2 4.44Å; L338-W343 HydrophobicContact CB-CG 4.23Å; L338-W343 HydrophobicContact CD1-CD2 4.43Å; L338-W343 HydrophobicContact CD1-CH2 4.45Å; L338-W343 HydrophobicContact CD1-CZ2 4.08Å; L338-W343 VanDerWaalsContact O-CD1 3.22Å; L338-W343 PolarHBondContact O-NE1 3.11Å | ||
| 339 | T | 71.8 | Confident | 81.5 | Confident | 38 Ų | 38 | 87.4 Ų | 87.4 | 23% | 0.233 | 40% | 0.404 | C | S | . | . | trans | -66.8 | 160.6 | 173.2 | 68.7 | 0 | 0 | 0 | 0 | 111.6 | Q222 E341 E342 W343 | Q222-T339 HydrophobicContact CB-CG2 3.57Å; Q222-T339 VanDerWaalsContact O-CG2 3.27Å; Q222-T339 WeakPolarHBondContact O-CG2 3.5Å; T339-E341 PolarHBondContact O-N 3.22Å; T339-E342 PolarHBondContact O-N 3.35Å; T339-E342 VanDerWaalsContact O-N 3.13Å; T339-E342 WeakPolarHBondContact OG1-CB 2.81Å; T339-E342 PolarHBondContact OG1-N 2.94Å; T339-E342 VanDerWaalsContact OG1-N 3.09Å; T339-W343 WeakPolarHBondContact O-CB 3.45Å; T339-W343 VanDerWaalsContact O-CD1 3.27Å; T339-W343 PolarHBondContact O-N 2.86Å | ||
| 340 | A | 72.3 | Confident | 81.2 | Confident | 88 Ų | 88 | 85.2 Ų | 85.2 | 73% | 0.727 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -59.2 | -33.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | K344 | A340-K344 WeakPolarHBondContact O-CB 3.42Å; A340-K344 PolarHBondContact O-N 3.16Å |
| 341 | E | 69.3 | Low | 80.9 | Confident | 152 Ų | 152 | 91.3 Ų | 91.3 | 71% | 0.71 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -70.6 | -38.2 | 175.4 | -60.8 | -168.4 | 165.6 | 0 | 0 | 112.2 | T339 K344 R345 | T339-E341 PolarHBondContact O-N 3.22Å; E341-K344 WeakPolarHBondContact O-CB 3.42Å; E341-K344 PolarHBondContact O-N 3.47Å; E341-R345 WeakPolarHBondContact O-CB 3.45Å; E341-R345 PolarHBondContact O-N 3.49Å |
| 342 | E | 71.8 | Confident | 80.7 | Confident | 48 Ų | 48 | 91.6 Ų | 91.6 | 22% | 0.224 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -77.6 | -33.7 | -180 | -158.5 | 158 | -134.3 | 0 | 0 | 112 | L338 T339 K344 R345 R346 | L338-E342 HydrophobicContact CD2-CB 4.32Å; L338-E342 HydrophobicContact CD2-CG 3.86Å; T339-E342 PolarHBondContact O-N 3.35Å; T339-E342 VanDerWaalsContact O-N 3.13Å; T339-E342 WeakPolarHBondContact OG1-CB 2.81Å; T339-E342 PolarHBondContact OG1-N 2.94Å; T339-E342 VanDerWaalsContact OG1-N 3.09Å; E342-K344 VanDerWaalsContact C-N 3.35Å; E342-R345 PolarHBondContact O-N 2.79Å; E342-R346 VanDerWaalsContact O-CB 3.23Å; E342-R346 WeakPolarHBondContact O-CB 3.39Å; E342-R346 PolarHBondContact O-N 3.03Å |
| 343 | W | 76.3 | Confident | 80.3 | Confident | 150 Ų | 150 | 96.6 Ų | 96.6 | 57% | 0.568 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -55.7 | -47.7 | 162.1 | -87.4 | 113.6 | 0 | 0 | 0 | 111.6 | L338 T339 R346 Y347 | L338-W343 HydrophobicContact CB-CD2 4.44Å; L338-W343 HydrophobicContact CB-CG 4.23Å; L338-W343 HydrophobicContact CD1-CD2 4.43Å; L338-W343 HydrophobicContact CD1-CH2 4.45Å; L338-W343 HydrophobicContact CD1-CZ2 4.08Å; L338-W343 VanDerWaalsContact O-CD1 3.22Å; L338-W343 PolarHBondContact O-NE1 3.11Å; T339-W343 WeakPolarHBondContact O-CB 3.45Å; T339-W343 VanDerWaalsContact O-CD1 3.27Å; T339-W343 PolarHBondContact O-N 2.86Å; W343-R346 PolarHBondContact O-N 2.91Å; W343-Y347 WeakPolarHBondContact O-CB 3.2Å; W343-Y347 PolarHBondContact O-N 2.74Å |
| 344 | K | 77 | Confident | 80.1 | Confident | 127 Ų | 127 | 95 Ų | 95 | 55% | 0.552 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -60.7 | -47.7 | 176.7 | -179.1 | -179.9 | 171.5 | -175.3 | 0 | 111.6 | A340 E341 E342 R346 Y347 E348 | A340-K344 WeakPolarHBondContact O-CB 3.42Å; A340-K344 PolarHBondContact O-N 3.16Å; E341-K344 WeakPolarHBondContact O-CB 3.42Å; E341-K344 PolarHBondContact O-N 3.47Å; E342-K344 VanDerWaalsContact C-N 3.35Å; K344-R346 VanDerWaalsContact C-N 3.35Å; K344-R346 PolarHBondContact O-N 2.95Å; K344-Y347 PolarHBondContact O-N 2.84Å; K344-E348 WeakPolarHBondContact CE-OE1 3.34Å; K344-E348 HydrophobicContact CG-CG 4.48Å; K344-E348 WeakPolarHBondContact O-CB 3.22Å; K344-E348 WeakPolarHBondContact O-CG 3.46Å; K344-E348 PolarHBondContact O-N 3.04Å |
| 345 | R | 76.6 | Confident | 80 | Confident | 139 Ų | 139 | 94.5 Ų | 94.5 | 53% | 0.525 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -63.3 | -37.3 | 177.2 | -173.6 | -176.1 | -73 | 142.7 | -3.6 | 112.5 | E341 E342 R349 | E341-R345 WeakPolarHBondContact O-CB 3.45Å; E341-R345 PolarHBondContact O-N 3.49Å; E342-R345 PolarHBondContact O-N 2.79Å; R345-R349 WeakPolarHBondContact O-CB 3.2Å; R345-R349 PolarHBondContact O-N 3.19Å; R345-R349 VanDerWaalsContact O-N 3.07Å |
| 346 | R | 76 | Confident | 79.9 | Confident | 96 Ų | 96 | 99.3 Ų | 99.3 | 36% | 0.362 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -70.2 | -40.8 | 175.7 | -164.1 | 174.9 | -167.2 | 160.4 | 5.6 | 111 | E336 E342 W343 K344 R349 E350 | E336-R346 IonicContact OE2-NH1 2.61Å; E336-R346 PolarHBondContact OE2-NH1 3.4Å; E342-R346 VanDerWaalsContact O-CB 3.23Å; E342-R346 WeakPolarHBondContact O-CB 3.39Å; E342-R346 PolarHBondContact O-N 3.03Å; W343-R346 PolarHBondContact O-N 2.91Å; K344-R346 VanDerWaalsContact C-N 3.35Å; K344-R346 PolarHBondContact O-N 2.95Å; R346-R349 PolarHBondContact O-N 3.08Å; R346-E350 WeakPolarHBondContact O-CB 3.42Å; R346-E350 PolarHBondContact O-N 2.61Å |
| 347 | Y | 80.9 | Confident | 79.9 | Confident | 159 Ų | 159 | 98.9 Ų | 98.9 | 62% | 0.624 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -64.3 | -45.7 | 174.3 | 176.1 | -99.4 | 0 | 0 | 0 | 112.2 | W343 K344 E350 R351 | W343-Y347 WeakPolarHBondContact O-CB 3.2Å; W343-Y347 PolarHBondContact O-N 2.74Å; K344-Y347 PolarHBondContact O-N 2.84Å; Y347-E350 PolarHBondContact O-N 3.15Å; Y347-R351 WeakPolarHBondContact O-CB 3.47Å; Y347-R351 PolarHBondContact O-N 2.99Å |
| 348 | E | 85.9 | Confident | 80.1 | Confident | 73 Ų | 73 | 100.3 Ų | 100.3 | 34% | 0.341 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -59.3 | -48.5 | 174.9 | -75.2 | 168.5 | 172 | 0 | 0 | 110.9 | K344 E350 R351 D352 | K344-E348 WeakPolarHBondContact CE-OE1 3.34Å; K344-E348 HydrophobicContact CG-CG 4.48Å; K344-E348 WeakPolarHBondContact O-CB 3.22Å; K344-E348 WeakPolarHBondContact O-CG 3.46Å; K344-E348 PolarHBondContact O-N 3.04Å; E348-E350 PolarHBondContact O-N 3.17Å; E348-R351 PolarHBondContact O-N 2.65Å; E348-D352 WeakPolarHBondContact O-CB 3.49Å; E348-D352 PolarHBondContact O-N 3.26Å |
| 349 | R | 81.9 | Confident | 80.8 | Confident | 152 Ų | 152 | 105.1 Ų | 105.1 | 57% | 0.574 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -60.4 | -42.2 | 176.7 | -170.1 | -174 | -63.5 | 110.1 | -7.6 | 112.8 | R345 R346 R353 | R345-R349 WeakPolarHBondContact O-CB 3.2Å; R345-R349 PolarHBondContact O-N 3.19Å; R345-R349 VanDerWaalsContact O-N 3.07Å; R346-R349 PolarHBondContact O-N 3.08Å; R349-R353 WeakPolarHBondContact O-CB 3.42Å; R349-R353 PolarHBondContact O-N 2.86Å |
| 350 | E | 84 | Confident | 81.3 | Confident | 97 Ų | 97 | 106.1 Ų | 106.1 | 45% | 0.453 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -72.3 | -39.4 | 179.2 | -160.7 | 64.8 | -131.1 | 0 | 0 | 111.6 | R346 Y347 E348 D352 R353 V354 | R346-E350 WeakPolarHBondContact O-CB 3.42Å; R346-E350 PolarHBondContact O-N 2.61Å; Y347-E350 PolarHBondContact O-N 3.15Å; E348-E350 PolarHBondContact O-N 3.17Å; E350-D352 VanDerWaalsContact C-N 3.32Å; E350-D352 PolarHBondContact O-N 2.74Å; E350-R353 WeakPolarHBondContact O-CB 3.07Å; E350-R353 PolarHBondContact O-N 2.88Å; E350-V354 WeakPolarHBondContact O-CB 3.44Å; E350-V354 VanDerWaalsContact O-CG2 3.31Å; E350-V354 WeakPolarHBondContact O-CG2 3.45Å; E350-V354 PolarHBondContact O-N 2.98Å |
| 351 | R | 86.4 | Confident | 81.8 | Confident | 132 Ų | 132 | 106.9 Ų | 106.9 | 50% | 0.498 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -59.8 | -43.5 | 173.1 | -176.9 | -157.8 | 69.1 | 176.3 | -2.5 | 111 | Y347 E348 V354 A355 | Y347-R351 WeakPolarHBondContact O-CB 3.47Å; Y347-R351 PolarHBondContact O-N 2.99Å; E348-R351 PolarHBondContact O-N 2.65Å; R351-V354 PolarHBondContact O-N 3.47Å; R351-A355 WeakPolarHBondContact O-CB 3.36Å; R351-A355 PolarHBondContact O-N 2.56Å |
| 352 | D | 87.2 | Confident | 82.6 | Confident | 74 Ų | 74 | 101.7 Ų | 101.7 | 40% | 0.396 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -70.8 | -32.8 | 178.5 | -64.8 | -1.8 | 0 | 0 | 0 | 111.3 | E348 E350 A355 K356 | E348-D352 WeakPolarHBondContact O-CB 3.49Å; E348-D352 PolarHBondContact O-N 3.26Å; E350-D352 VanDerWaalsContact C-N 3.32Å; E350-D352 PolarHBondContact O-N 2.74Å; D352-A355 PolarHBondContact O-N 3.18Å; D352-K356 WeakPolarHBondContact O-CG 3.42Å; D352-K356 PolarHBondContact O-N 2.92Å |
| 353 | R | 82.1 | Confident | 83.3 | Confident | 109 Ų | 109 | 101.3 Ų | 101.3 | 41% | 0.411 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -64.5 | -46.8 | 169.3 | -168.3 | -176 | -165.6 | 164.9 | 6.9 | 111.6 | R349 E350 A355 K356 L357 S391 | R349-R353 WeakPolarHBondContact O-CB 3.42Å; R349-R353 PolarHBondContact O-N 2.86Å; E350-R353 WeakPolarHBondContact O-CB 3.07Å; E350-R353 PolarHBondContact O-N 2.88Å; R353-A355 VanDerWaalsContact C-N 3.3Å; R353-A355 PolarHBondContact O-N 2.93Å; R353-K356 PolarHBondContact O-N 3.3Å; R353-L357 HydrophobicContact CG-CD1 4.13Å; R353-L357 WeakPolarHBondContact O-CB 3.46Å; R353-L357 WeakPolarHBondContact O-CG 3.28Å; R353-L357 PolarHBondContact O-N 3.18Å; R353-S391 PolarHBondContact NH2-O 3.4Å |
| 354 | V | 85.1 | Confident | 83.6 | Confident | 63 Ų | 63 | 95.4 Ų | 95.4 | 38% | 0.382 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -62.6 | -37 | 175.9 | 169.6 | 0 | 0 | 0 | 0 | 111.1 | E350 R351 L357 K358 | E350-V354 WeakPolarHBondContact O-CB 3.44Å; E350-V354 VanDerWaalsContact O-CG2 3.31Å; E350-V354 WeakPolarHBondContact O-CG2 3.45Å; E350-V354 PolarHBondContact O-N 2.98Å; R351-V354 PolarHBondContact O-N 3.47Å; V354-L357 PolarHBondContact O-N 2.94Å; V354-K358 HydrophobicContact CG1-CD 4.26Å; V354-K358 HydrophobicContact CG1-CG 4.45Å; V354-K358 WeakPolarHBondContact O-CB 3.36Å; V354-K358 WeakPolarHBondContact O-CG 3.22Å; V354-K358 PolarHBondContact O-N 2.75Å |
| 355 | A | 87.5 | Confident | 84 | Confident | 46 Ų | 46 | 95.1 Ų | 95.1 | 38% | 0.38 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -63.4 | -46.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | R351 D352 R353 K358 I359 | R351-A355 WeakPolarHBondContact O-CB 3.36Å; R351-A355 PolarHBondContact O-N 2.56Å; D352-A355 PolarHBondContact O-N 3.18Å; R353-A355 VanDerWaalsContact C-N 3.3Å; R353-A355 PolarHBondContact O-N 2.93Å; A355-K358 PolarHBondContact O-N 3.48Å; A355-I359 WeakPolarHBondContact O-CG1 3.42Å; A355-I359 PolarHBondContact O-N 2.67Å |
| 356 | K | 87 | Confident | 84.4 | Confident | 146 Ų | 146 | 95.2 Ų | 95.2 | 64% | 0.635 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -60.5 | -46.1 | 174.2 | -71.9 | 176.3 | 179.5 | -173.3 | 0 | 112.1 | D352 R353 K358 I359 Q360 | D352-K356 WeakPolarHBondContact O-CG 3.42Å; D352-K356 PolarHBondContact O-N 2.92Å; R353-K356 PolarHBondContact O-N 3.3Å; K356-K358 VanDerWaalsContact C-N 3.35Å; K356-K358 PolarHBondContact O-N 3.28Å; K356-I359 PolarHBondContact O-N 3.49Å; K356-Q360 WeakPolarHBondContact O-CG 3.36Å; K356-Q360 PolarHBondContact O-N 3.25Å |
| 357 | L | 84.1 | Confident | 84.8 | Confident | 52 Ų | 52 | 92.2 Ų | 92.2 | 27% | 0.272 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -61.1 | -40 | 176.8 | -74.7 | 168.5 | 0 | 0 | 0 | 112.4 | R353 V354 Q360 L361 I392 | R353-L357 HydrophobicContact CG-CD1 4.13Å; R353-L357 WeakPolarHBondContact O-CB 3.46Å; R353-L357 WeakPolarHBondContact O-CG 3.28Å; R353-L357 PolarHBondContact O-N 3.18Å; V354-L357 PolarHBondContact O-N 2.94Å; L357-Q360 PolarHBondContact O-N 2.75Å; L357-L361 WeakPolarHBondContact O-CB 3.4Å; L357-L361 WeakPolarHBondContact O-CG 3.46Å; L357-L361 PolarHBondContact O-N 2.88Å; L357-I392 HydrophobicContact CD2-CD1 3.63Å |
| 358 | K | 86.5 | Confident | 84.9 | Confident | 143 Ų | 143 | 88.5 Ų | 88.5 | 62% | 0.622 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -65 | -39.2 | 175 | -79 | -178.7 | 174.1 | -169 | 0 | 112.6 | V354 A355 K356 A362 | V354-K358 HydrophobicContact CG1-CD 4.26Å; V354-K358 HydrophobicContact CG1-CG 4.45Å; V354-K358 WeakPolarHBondContact O-CB 3.36Å; V354-K358 WeakPolarHBondContact O-CG 3.22Å; V354-K358 PolarHBondContact O-N 2.75Å; A355-K358 PolarHBondContact O-N 3.48Å; K356-K358 VanDerWaalsContact C-N 3.35Å; K356-K358 PolarHBondContact O-N 3.28Å; K358-A362 WeakPolarHBondContact O-CB 3.31Å; K358-A362 PolarHBondContact O-N 3.36Å |
| 359 | I | 87.3 | Confident | 84.8 | Confident | 124 Ų | 124 | 89.8 Ų | 89.8 | 64% | 0.636 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -64.7 | -43.5 | 174.7 | -66.9 | 163.7 | 0 | 0 | 0 | 110.4 | A355 K356 A362 A363 | A355-I359 WeakPolarHBondContact O-CG1 3.42Å; A355-I359 PolarHBondContact O-N 2.67Å; K356-I359 PolarHBondContact O-N 3.49Å; I359-A362 PolarHBondContact O-N 3.08Å; I359-A363 WeakPolarHBondContact O-CB 3.33Å; I359-A363 PolarHBondContact O-N 3.31Å |
| 360 | Q | 82.3 | Confident | 84.9 | Confident | 58 Ų | 58 | 87 Ų | 87 | 27% | 0.271 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -65.4 | -42.8 | 176.8 | -73.6 | 173.8 | -31.4 | 0 | 0 | 112.5 | K356 L357 A363 A364 L388 | K356-Q360 WeakPolarHBondContact O-CG 3.36Å; K356-Q360 PolarHBondContact O-N 3.25Å; L357-Q360 PolarHBondContact O-N 2.75Å; Q360-A363 PolarHBondContact O-N 3.2Å; Q360-A364 WeakPolarHBondContact O-CB 3.28Å; Q360-A364 PolarHBondContact O-N 2.9Å; Q360-L388 HydrophobicContact CG-CD1 4.42Å |
| 361 | L | 82.4 | Confident | 84.7 | Confident | 105 Ų | 105 | 89 Ų | 89 | 55% | 0.55 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -60.8 | -47.4 | 174.6 | -78.3 | 166.3 | 0 | 0 | 0 | 111.5 | L357 A363 A364 E365 | L357-L361 WeakPolarHBondContact O-CB 3.4Å; L357-L361 WeakPolarHBondContact O-CG 3.46Å; L357-L361 PolarHBondContact O-N 2.88Å; L361-A363 VanDerWaalsContact C-N 3.27Å; L361-A363 PolarHBondContact O-N 3.42Å; L361-A364 PolarHBondContact O-N 2.89Å; L361-E365 WeakPolarHBondContact O-CB 3.44Å; L361-E365 WeakPolarHBondContact O-CG 3.5Å; L361-E365 PolarHBondContact O-N 3.46Å |
| 362 | A | 86.8 | Confident | 84.6 | Confident | 43 Ų | 43 | 92.4 Ų | 92.4 | 36% | 0.355 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -65.4 | -29 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | K358 I359 K366 | K358-A362 WeakPolarHBondContact O-CB 3.31Å; K358-A362 PolarHBondContact O-N 3.36Å; I359-A362 PolarHBondContact O-N 3.08Å; A362-K366 WeakPolarHBondContact O-CG 3.31Å; A362-K366 PolarHBondContact O-N 3.33Å |
| 363 | A | 85 | Confident | 84.5 | Confident | 39 Ų | 39 | 95.9 Ų | 95.9 | 32% | 0.322 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -70.9 | -46.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | I359 Q360 L361 E365 K366 E367 V383 | I359-A363 WeakPolarHBondContact O-CB 3.33Å; I359-A363 PolarHBondContact O-N 3.31Å; Q360-A363 PolarHBondContact O-N 3.2Å; L361-A363 VanDerWaalsContact C-N 3.27Å; L361-A363 PolarHBondContact O-N 3.42Å; A363-E365 PolarHBondContact O-N 3.42Å; A363-K366 PolarHBondContact O-N 3.33Å; A363-E367 WeakPolarHBondContact O-CB 3.42Å; A363-E367 PolarHBondContact O-N 3.17Å; A363-V383 HydrophobicContact CB-CG2 3.74Å |
| 364 | A | 83.9 | Confident | 84.5 | Confident | 27 Ų | 27 | 93.8 Ų | 93.8 | 22% | 0.223 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -65.5 | -35.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q360 L361 E367 I368 | Q360-A364 WeakPolarHBondContact O-CB 3.28Å; Q360-A364 PolarHBondContact O-N 2.9Å; L361-A364 PolarHBondContact O-N 2.89Å; A364-E367 WeakPolarHBondContact O-CB 3.36Å; A364-E367 PolarHBondContact O-N 2.65Å; A364-I368 WeakPolarHBondContact O-CB 3.47Å; A364-I368 VanDerWaalsContact O-CG1 3.25Å; A364-I368 WeakPolarHBondContact O-CG1 3.45Å; A364-I368 PolarHBondContact O-N 2.96Å |
| 365 | E | 85.7 | Confident | 84.4 | Confident | 121 Ų | 121 | 94.6 Ų | 94.6 | 57% | 0.565 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -63 | -46.9 | 173.2 | -77.1 | 173.6 | 161.8 | 0 | 0 | 111.3 | L361 A363 E367 I368 E369 | L361-E365 WeakPolarHBondContact O-CB 3.44Å; L361-E365 WeakPolarHBondContact O-CG 3.5Å; L361-E365 PolarHBondContact O-N 3.46Å; A363-E365 PolarHBondContact O-N 3.42Å; E365-E367 VanDerWaalsContact C-N 3.27Å; E365-E367 PolarHBondContact O-N 2.99Å; E365-I368 PolarHBondContact O-N 3.1Å; E365-E369 WeakPolarHBondContact O-CG 3.44Å; E365-E369 PolarHBondContact O-N 3.09Å |
| 366 | K | 84.8 | Confident | 83.6 | Confident | 141 Ų | 141 | 97.3 Ų | 97.3 | 61% | 0.613 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -62.7 | -34.4 | 173.5 | -74 | 177.6 | -178.5 | -176.2 | 0 | 112.8 | A362 A363 E369 R370 | A362-K366 WeakPolarHBondContact O-CG 3.31Å; A362-K366 PolarHBondContact O-N 3.33Å; A363-K366 PolarHBondContact O-N 3.33Å; K366-E369 PolarHBondContact O-N 3.38Å; K366-R370 PolarHBondContact O-N 3.5Å; K366-R370 VanDerWaalsContact O-N 3.07Å |
| 367 | E | 83.6 | Confident | 83.1 | Confident | 33 Ų | 33 | 91 Ų | 91 | 15% | 0.154 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -63.4 | -51.9 | 173.8 | -158 | -167.8 | 139.9 | 0 | 0 | 110.3 | A363 A364 E365 E369 R370 W371 I377 V383 | A363-E367 WeakPolarHBondContact O-CB 3.42Å; A363-E367 PolarHBondContact O-N 3.17Å; A364-E367 WeakPolarHBondContact O-CB 3.36Å; A364-E367 PolarHBondContact O-N 2.65Å; E365-E367 VanDerWaalsContact C-N 3.27Å; E365-E367 PolarHBondContact O-N 2.99Å; E367-E369 VanDerWaalsContact C-N 3.25Å; E367-E369 PolarHBondContact O-N 3.43Å; E367-R370 WeakPolarHBondContact O-CB 3.25Å; E367-R370 PolarHBondContact O-N 3.43Å; E367-W371 PolarHBondContact O-N 2.93Å; E367-W371 PolarHBondContact OE1-NE1 3.25Å; E367-I377 HydrophobicContact CB-CD1 4.28Å; E367-I377 HydrophobicContact CG-CD1 3.23Å; E367-V383 WeakPolarHBondContact OE2-CB 3.26Å; E367-V383 WeakPolarHBondContact OE2-CG2 3.45Å; E367-V383 PolarHBondContact OE2-N 2.63Å |
| 368 | I | 83.1 | Confident | 82.7 | Confident | 81 Ų | 81 | 91.4 Ų | 91.4 | 42% | 0.415 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -57.2 | -37.5 | 176 | -70.6 | 164.4 | 0 | 0 | 0 | 111.5 | A364 E365 R372 | A364-I368 WeakPolarHBondContact O-CB 3.47Å; A364-I368 VanDerWaalsContact O-CG1 3.25Å; A364-I368 WeakPolarHBondContact O-CG1 3.45Å; A364-I368 PolarHBondContact O-N 2.96Å; E365-I368 PolarHBondContact O-N 3.1Å; I368-R372 HydrophobicContact CG2-CG 4.47Å; I368-R372 WeakPolarHBondContact O-CB 3.42Å; I368-R372 VanDerWaalsContact O-CG 3.23Å; I368-R372 WeakPolarHBondContact O-CG 3.49Å; I368-R372 PolarHBondContact O-N 3.3Å |
| 369 | E | 84.6 | Confident | 82 | Confident | 100 Ų | 100 | 92.7 Ų | 92.7 | 47% | 0.467 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -65 | -41.5 | 174 | -75.1 | 178.7 | 176.5 | 0 | 0 | 113.4 | E365 K366 E367 R372 R373 | E365-E369 WeakPolarHBondContact O-CG 3.44Å; E365-E369 PolarHBondContact O-N 3.09Å; K366-E369 PolarHBondContact O-N 3.38Å; E367-E369 VanDerWaalsContact C-N 3.25Å; E367-E369 PolarHBondContact O-N 3.43Å; E369-R372 PolarHBondContact O-N 3.13Å; E369-R373 WeakPolarHBondContact O-CG 3.34Å; E369-R373 PolarHBondContact O-N 3.3Å; E369-R373 VanDerWaalsContact O-N 3.08Å |
| 370 | R | 83.1 | Confident | 81.4 | Confident | 94 Ų | 94 | 93.4 Ų | 93.4 | 36% | 0.355 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -61.7 | -49.1 | 173.7 | -76.9 | -176.5 | 169.8 | -172.8 | -3.7 | 111 | K366 E367 R372 R373 G374 E375 I377 E381 | K366-R370 PolarHBondContact O-N 3.5Å; K366-R370 VanDerWaalsContact O-N 3.07Å; E367-R370 WeakPolarHBondContact O-CB 3.25Å; E367-R370 PolarHBondContact O-N 3.43Å; R370-R372 VanDerWaalsContact C-N 3.28Å; R370-R372 PolarHBondContact O-N 3.48Å; R370-R373 PolarHBondContact O-N 2.97Å; R370-G374 PolarHBondContact O-N 2.99Å; R370-E375 HydrophobicContact CB-CB 4.31Å; R370-E375 WeakPolarHBondContact CG-OE2 3.45Å; R370-E375 PolarHBondContact O-N 3.47Å; R370-E375 VanDerWaalsContact O-N 3.16Å; R370-I377 HydrophobicContact CB-CD1 3.61Å; R370-I377 HydrophobicContact CB-CG1 3.99Å; R370-I377 HydrophobicContact CG-CD1 4.38Å; R370-E381 IonicContact CZ-OE2 3.94Å; R370-E381 IonicContact NH1-OE2 2.66Å; R370-E381 PolarHBondContact NH1-OE2 2.88Å |
| 371 | W | 81.1 | Confident | 80.9 | Confident | 137 Ų | 137 | 95.8 Ų | 95.8 | 52% | 0.519 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -55.5 | -42.2 | 174 | -74.7 | 109.5 | 0 | 0 | 0 | 111.9 | E367 R373 G374 I377 | E367-W371 PolarHBondContact O-N 2.93Å; E367-W371 PolarHBondContact OE1-NE1 3.25Å; W371-R373 VanDerWaalsContact C-N 3.31Å; W371-R373 PolarHBondContact O-N 3.25Å; W371-G374 PolarHBondContact O-N 3.01Å; W371-G374 VanDerWaalsContact O-N 3.12Å; W371-I377 HydrophobicContact CG-CD1 4.34Å |
| 372 | R | 82.7 | Confident | 80.5 | Confident | 204 Ų | 204 | 94 Ų | 94 | 77% | 0.77 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -67.1 | -23.7 | 176.4 | -76.5 | 172.4 | -178.3 | 171.4 | 4.1 | 114.4 | I368 E369 R370 G374 | I368-R372 HydrophobicContact CG2-CG 4.47Å; I368-R372 WeakPolarHBondContact O-CB 3.42Å; I368-R372 VanDerWaalsContact O-CG 3.23Å; I368-R372 WeakPolarHBondContact O-CG 3.49Å; I368-R372 PolarHBondContact O-N 3.3Å; E369-R372 PolarHBondContact O-N 3.13Å; R370-R372 VanDerWaalsContact C-N 3.28Å; R370-R372 PolarHBondContact O-N 3.48Å; R372-G374 VanDerWaalsContact C-N 3.31Å |
| 373 | R | 85.8 | Confident | 79.7 | Confident | 147 Ų | 147 | 93.9 Ų | 93.9 | 56% | 0.555 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | -4.3 | 172.6 | -69.7 | -166.9 | -56.2 | -89.6 | -3.5 | 113.5 | E369 R370 W371 E375 | E369-R373 WeakPolarHBondContact O-CG 3.34Å; E369-R373 PolarHBondContact O-N 3.3Å; E369-R373 VanDerWaalsContact O-N 3.08Å; R370-R373 PolarHBondContact O-N 2.97Å; W371-R373 VanDerWaalsContact C-N 3.31Å; W371-R373 PolarHBondContact O-N 3.25Å; R373-E375 VanDerWaalsContact C-N 3.34Å; R373-E375 HydrophobicContact CB-CG 4.43Å; R373-E375 IonicContact CZ-OE1 2.68Å; R373-E375 VanDerWaalsContact CZ-OE1 3.27Å; R373-E375 IonicContact NE-OE1 3.23Å; R373-E375 PolarHBondContact NE-OE1 2.91Å; R373-E375 IonicContact NH2-OE1 3.7Å; R373-E375 PolarHBondContact NH2-OE1 2.83Å; R373-E375 IonicContact NH2-OE2 2.68Å; R373-E375 PolarHBondContact NH2-OE2 3.32Å |
| 374 | G | 80.9 | Confident | 78.8 | Confident | 66 Ų | 66 | 96.7 Ų | 96.7 | 68% | 0.68 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.7 | 14.7 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | R370 W371 R372 | R370-G374 PolarHBondContact O-N 2.99Å; W371-G374 PolarHBondContact O-N 3.01Å; W371-G374 VanDerWaalsContact O-N 3.12Å; R372-G374 VanDerWaalsContact C-N 3.31Å |
| 375 | E | 83.1 | Confident | 77.7 | Confident | 80 Ų | 80 | 100.8 Ų | 100.8 | 37% | 0.374 | 49% | 0.494 | S | S | . | . | P | Polyproline II helix | trans | -79.6 | 124.6 | 172.2 | -67.1 | 165.8 | -142.6 | 0 | 0 | 109.6 | R370 R373 | R370-E375 HydrophobicContact CB-CB 4.31Å; R370-E375 WeakPolarHBondContact CG-OE2 3.45Å; R370-E375 PolarHBondContact O-N 3.47Å; R370-E375 VanDerWaalsContact O-N 3.16Å; R373-E375 VanDerWaalsContact C-N 3.34Å; R373-E375 HydrophobicContact CB-CG 4.43Å; R373-E375 IonicContact CZ-OE1 2.68Å; R373-E375 VanDerWaalsContact CZ-OE1 3.27Å; R373-E375 IonicContact NE-OE1 3.23Å; R373-E375 PolarHBondContact NE-OE1 2.91Å; R373-E375 IonicContact NH2-OE1 3.7Å; R373-E375 PolarHBondContact NH2-OE1 2.83Å; R373-E375 IonicContact NH2-OE2 2.68Å; R373-E375 PolarHBondContact NH2-OE2 3.32Å |
| 376 | S | 72.6 | Confident | 76.3 | Confident | 103 Ų | 103 | 98 Ų | 98 | 72% | 0.72 | 49% | 0.488 | S | S | * | . | P | Polyproline II helix | trans | -81.7 | 121.2 | 172.1 | 61.5 | 0 | 0 | 0 | 0 | 110.7 | ||
| 377 | I | 74.8 | Confident | 75.1 | Confident | 12 Ų | 12 | 95.9 Ų | 95.9 | 6% | 0.062 | 48% | 0.483 | C | S | . | . | P | Polyproline II helix | trans | -91.9 | 126 | -176.4 | -53.4 | 173.7 | 0 | 0 | 0 | 109.7 | E367 R370 W371 E381 Q382 | E367-I377 HydrophobicContact CB-CD1 4.28Å; E367-I377 HydrophobicContact CG-CD1 3.23Å; R370-I377 HydrophobicContact CB-CD1 3.61Å; R370-I377 HydrophobicContact CB-CG1 3.99Å; R370-I377 HydrophobicContact CG-CD1 4.38Å; W371-I377 HydrophobicContact CG-CD1 4.34Å; I377-E381 HydrophobicContact CG2-CB 3.78Å; I377-Q382 HydrophobicContact CB-CG 4.24Å; I377-Q382 HydrophobicContact CG2-CG 3.96Å; I377-Q382 PolarHBondContact O-NE2 3.46Å |
| 378 | P | 76.6 | Confident | 73.5 | Confident | 62 Ų | 62 | 96.1 Ų | 96.1 | 40% | 0.403 | 49% | 0.485 | S | S | . | . | P | Polyproline II helix | trans | -54.8 | 142.8 | 175.6 | -26.1 | 35.3 | 0 | 0 | 0 | 112.3 | N380 E381 Q382 | P378-N380 WeakPolarHBondContact CB-OD1 3.46Å; P378-N380 PolarHBondContact O-N 3.28Å; P378-E381 PolarHBondContact O-N 3.09Å; P378-Q382 PolarHBondContact O-N 2.96Å |
| 379 | E | 72 | Confident | 71.7 | Confident | 170 Ų | 170 | 96 Ų | 96 | 79% | 0.794 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -22.5 | -177.4 | -161.4 | 173.6 | -149.1 | 0 | 0 | 113 | ||
| 380 | N | 73.7 | Confident | 69.9 | Low | 139 Ų | 139 | 100.3 Ų | 100.3 | 74% | 0.743 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | -6.7 | 174.6 | 66.4 | -77.2 | 0 | 0 | 0 | 115.3 | P378 | P378-N380 WeakPolarHBondContact CB-OD1 3.46Å; P378-N380 PolarHBondContact O-N 3.28Å |
| 381 | E | 73 | Confident | 68.3 | Low | 108 Ų | 108 | 98.6 Ų | 98.6 | 51% | 0.505 | 51% | 0.511 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.5 | -10.3 | 174 | -79.2 | -168.5 | -157.3 | 0 | 0 | 113.3 | R370 I377 P378 | R370-E381 IonicContact CZ-OE2 3.94Å; R370-E381 IonicContact NH1-OE2 2.66Å; R370-E381 PolarHBondContact NH1-OE2 2.88Å; I377-E381 HydrophobicContact CG2-CB 3.78Å; P378-E381 PolarHBondContact O-N 3.09Å |
| 382 | Q | 72.7 | Confident | 66.6 | Low | 68 Ų | 68 | 96 Ų | 96 | 32% | 0.318 | 51% | 0.507 | S | S | . | . | S | Bend | trans | -67.1 | 144.2 | 176.7 | -67.8 | 174.5 | 18.3 | 0 | 0 | 110.8 | I377 P378 N384 | I377-Q382 HydrophobicContact CB-CG 4.24Å; I377-Q382 HydrophobicContact CG2-CG 3.96Å; I377-Q382 PolarHBondContact O-NE2 3.46Å; P378-Q382 PolarHBondContact O-N 2.96Å; Q382-N384 PolarHBondContact O-N 2.65Å |
| 383 | V | 70.3 | Confident | 64.3 | Low | 40 Ų | 40 | 89 Ų | 89 | 24% | 0.242 | 49% | 0.491 | C | S | . | . | trans | -71.7 | 101.6 | 177.8 | 179.6 | 0 | 0 | 0 | 0 | 108.5 | A363 E367 L385 | A363-V383 HydrophobicContact CB-CG2 3.74Å; E367-V383 WeakPolarHBondContact OE2-CB 3.26Å; E367-V383 WeakPolarHBondContact OE2-CG2 3.45Å; E367-V383 PolarHBondContact OE2-N 2.63Å; V383-L385 PolarHBondContact O-N 2.92Å | ||
| 384 | N | 66.1 | Low | 62 | Low | 97 Ų | 97 | 88.2 Ų | 88.2 | 52% | 0.519 | 51% | 0.506 | S | S | . | . | trans | -58.5 | 95.4 | 178.6 | -94.5 | -30.6 | 0 | 0 | 0 | 111.8 | Q382 S386 D387 | Q382-N384 PolarHBondContact O-N 2.65Å; N384-S386 PolarHBondContact O-N 3.13Å; N384-S386 VanDerWaalsContact O-N 3.16Å; N384-D387 PolarHBondContact O-N 2.88Å; N384-D387 VanDerWaalsContact O-N 3.08Å | ||
| 385 | L | 62.3 | Low | 59.3 | Low | 113 Ų | 113 | 90.7 Ų | 90.7 | 59% | 0.592 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65 | -14.5 | 174.1 | -132.2 | 77 | 0 | 0 | 0 | 112 | V383 D387 L388 T389 | V383-L385 PolarHBondContact O-N 2.92Å; L385-D387 VanDerWaalsContact C-N 3.25Å; L385-D387 PolarHBondContact O-N 2.92Å; L385-L388 HydrophobicContact CD1-CD1 4.33Å; L385-L388 HydrophobicContact CD1-CD2 4.1Å; L385-L388 HydrophobicContact CG-CB 4.4Å; L385-L388 HydrophobicContact CG-CD2 4.36Å; L385-L388 WeakPolarHBondContact O-CA 3.42Å; L385-L388 VanDerWaalsContact O-CB 3.29Å; L385-L388 WeakPolarHBondContact O-CB 3.47Å; L385-L388 PolarHBondContact O-N 2.88Å; L385-L388 VanDerWaalsContact O-N 3.09Å; L385-T389 PolarHBondContact O-N 2.81Å; L385-T389 PolarHBondContact O-OG1 2.98Å; L385-T389 VanDerWaalsContact O-OG1 3.08Å |
| 386 | S | 56 | Low | 56.8 | Low | 63 Ų | 63 | 93.4 Ų | 93.4 | 44% | 0.441 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -57.5 | -36.2 | 168.5 | 52.5 | 0 | 0 | 0 | 0 | 113.1 | N384 L388 T389 E390 | N384-S386 PolarHBondContact O-N 3.13Å; N384-S386 VanDerWaalsContact O-N 3.16Å; S386-L388 VanDerWaalsContact C-N 3.26Å; S386-L388 PolarHBondContact O-N 2.83Å; S386-T389 WeakPolarHBondContact O-CB 3.43Å; S386-T389 PolarHBondContact O-N 3.14Å; S386-E390 PolarHBondContact O-N 3.4Å |
| 387 | D | 59.4 | Low | 54.6 | Low | 97 Ų | 97 | 94 Ų | 94 | 52% | 0.519 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -74.3 | -23.2 | 178.2 | -62.1 | 6.7 | 0 | 0 | 0 | 110.8 | N384 L385 S391 | N384-D387 PolarHBondContact O-N 2.88Å; N384-D387 VanDerWaalsContact O-N 3.08Å; L385-D387 VanDerWaalsContact C-N 3.25Å; L385-D387 PolarHBondContact O-N 2.92Å; D387-S391 PolarHBondContact O-OG 2.85Å |
| 388 | L | 49.7 | Very low | 52.3 | Low | 38 Ų | 38 | 101.6 Ų | 101.6 | 20% | 0.199 | 57% | 0.569 | C | S | . | * | H | α-helix | trans | -71.8 | -35.7 | 164.1 | -85.5 | 77.4 | 0 | 0 | 0 | 111.1 | Q360 L385 S386 S391 I392 | Q360-L388 HydrophobicContact CG-CD1 4.42Å; L385-L388 HydrophobicContact CD1-CD1 4.33Å; L385-L388 HydrophobicContact CD1-CD2 4.1Å; L385-L388 HydrophobicContact CG-CB 4.4Å; L385-L388 HydrophobicContact CG-CD2 4.36Å; L385-L388 WeakPolarHBondContact O-CA 3.42Å; L385-L388 VanDerWaalsContact O-CB 3.29Å; L385-L388 WeakPolarHBondContact O-CB 3.47Å; L385-L388 PolarHBondContact O-N 2.88Å; L385-L388 VanDerWaalsContact O-N 3.09Å; S386-L388 VanDerWaalsContact C-N 3.26Å; S386-L388 PolarHBondContact O-N 2.83Å; L388-S391 WeakPolarHBondContact CA-OG 3.32Å; L388-S391 CarbonylContact O-C 3.54Å; L388-S391 PolarHBondContact O-N 3.28Å; L388-S391 VanDerWaalsContact O-N 3.13Å; L388-S391 PolarHBondContact O-OG 2.81Å; L388-I392 HydrophobicContact CB-CD1 4.21Å; L388-I392 HydrophobicContact CD2-CD1 4.02Å; L388-I392 HydrophobicContact CG-CD1 3.94Å; L388-I392 WeakPolarHBondContact O-CA 3.17Å; L388-I392 WeakPolarHBondContact O-CB 3.49Å; L388-I392 WeakPolarHBondContact O-CG1 3.23Å; L388-I392 PolarHBondContact O-N 3.44Å |
| 389 | T | 46.3 | Very low | 50 | Low | 78 Ų | 78 | 103.4 Ų | 103.4 | 48% | 0.479 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -65 | -42.4 | -178.5 | -40.5 | 0 | 0 | 0 | 0 | 112.2 | L385 S386 S391 A393 | L385-T389 PolarHBondContact O-N 2.81Å; L385-T389 PolarHBondContact O-OG1 2.98Å; L385-T389 VanDerWaalsContact O-OG1 3.08Å; S386-T389 WeakPolarHBondContact O-CB 3.43Å; S386-T389 PolarHBondContact O-N 3.14Å; T389-S391 PolarHBondContact O-N 3.35Å; T389-A393 HydrophobicContact CG2-CB 3.93Å; T389-A393 PolarHBondContact O-N 3.04Å |
| 390 | E | 46.9 | Very low | 47.9 | Very low | 191 Ų | 191 | 104 Ų | 104 | 89% | 0.893 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -65.3 | -24.3 | 173.9 | -71.9 | -161.4 | 158.1 | 0 | 0 | 113.3 | S386 | S386-E390 PolarHBondContact O-N 3.4Å |
| 391 | S | 49.4 | Very low | 45.9 | Very low | 58 Ų | 58 | 105.4 Ų | 105.4 | 41% | 0.406 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -103.2 | -11.4 | -178.5 | 58.8 | 0 | 0 | 0 | 0 | 114.8 | R353 D387 L388 T389 | R353-S391 PolarHBondContact NH2-O 3.4Å; D387-S391 PolarHBondContact O-OG 2.85Å; L388-S391 WeakPolarHBondContact CA-OG 3.32Å; L388-S391 CarbonylContact O-C 3.54Å; L388-S391 PolarHBondContact O-N 3.28Å; L388-S391 VanDerWaalsContact O-N 3.13Å; L388-S391 PolarHBondContact O-OG 2.81Å; T389-S391 PolarHBondContact O-N 3.35Å |
| 392 | I | 44.6 | Very low | 43.7 | Very low | 83 Ų | 83 | 105.1 Ų | 105.1 | 43% | 0.426 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -153.3 | 28 | -169.7 | -28.1 | 173.3 | 0 | 0 | 0 | 114.5 | L357 L388 | L357-I392 HydrophobicContact CD2-CD1 3.63Å; L388-I392 HydrophobicContact CB-CD1 4.21Å; L388-I392 HydrophobicContact CD2-CD1 4.02Å; L388-I392 HydrophobicContact CG-CD1 3.94Å; L388-I392 WeakPolarHBondContact O-CA 3.17Å; L388-I392 WeakPolarHBondContact O-CB 3.49Å; L388-I392 WeakPolarHBondContact O-CG1 3.23Å; L388-I392 PolarHBondContact O-N 3.44Å |
| 393 | A | 34.1 | Very low | 41.7 | Very low | 55 Ų | 55 | 109 Ų | 109 | 46% | 0.455 | 63% | 0.627 | S | S | . | * | trans | -153.4 | 129.8 | 162.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | T389 | T389-A393 HydrophobicContact CG2-CB 3.93Å; T389-A393 PolarHBondContact O-N 3.04Å | ||
| 394 | P | 36.9 | Very low | 39.9 | Very low | 132 Ų | 132 | 112.3 Ų | 112.3 | 86% | 0.857 | 65% | 0.651 | S | S | * | * | trans | -74.3 | 125.1 | 154.7 | 31.5 | -29.3 | 0 | 0 | 0 | 109.7 | ||||
| 395 | S | 26.2 | Very low | 38.3 | Very low | 118 Ų | 118 | 113.4 Ų | 113.4 | 83% | 0.825 | 67% | 0.667 | S | S | * | * | trans | -8.4 | 119.6 | 167.6 | -175.1 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 396 | V | 29.8 | Very low | 36.8 | Very low | 137 Ų | 137 | 111.6 Ų | 111.6 | 83% | 0.83 | 68% | 0.675 | S | S | * | * | -170.7 | 148.7 | 128.5 | 153.1 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 397 | T | 26.1 | Very low | 35.7 | Very low | 114 Ų | 114 | 119.3 Ų | 119.3 | 70% | 0.699 | 70% | 0.701 | S | S | * | * | trans | -63.6 | 159.8 | -162.1 | 46 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 398 | E | 26.2 | Very low | 34.4 | Very low | 173 Ų | 173 | 119 Ų | 119 | 81% | 0.808 | 71% | 0.712 | S | S | * | * | 112.5 | 111.6 | 127 | -101.8 | 168.3 | 166.4 | 0 | 0 | 125.3 | |||||
| 399 | S | 28.2 | Very low | 33.7 | Very low | 100 Ų | 100 | 122.5 Ų | 122.5 | 70% | 0.699 | 74% | 0.74 | S | S | * | * | trans | 78 | 112 | 130.4 | 57 | 0 | 0 | 0 | 0 | 127.9 | ||||
| 400 | M | 27.5 | Very low | 33 | Very low | 182 Ų | 182 | 125 Ų | 125 | 90% | 0.897 | 76% | 0.756 | S | S | * | * | 77.3 | 146.7 | 121 | -63.3 | -167.1 | 168.3 | 0 | 0 | 127.8 | |||||
| 401 | I | 32 | Very low | 32.6 | Very low | 169 Ų | 169 | 120.6 Ų | 120.6 | 87% | 0.867 | 75% | 0.752 | S | S | * | * | trans | 118.1 | 151.1 | 149.5 | -53 | -170.5 | 0 | 0 | 0 | 118.7 | ||||
| 402 | S | 28.4 | Very low | 32.8 | Very low | 101 Ų | 101 | 123.2 Ų | 123.2 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | trans | -125.1 | 178.8 | -144.2 | -39.8 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 403 | D | 29.1 | Very low | 32.4 | Very low | 151 Ų | 151 | 127.2 Ų | 127.2 | 81% | 0.807 | 79% | 0.788 | S | S | * | * | trans | 119.6 | 121.7 | 135.5 | -73.5 | -12.2 | 0 | 0 | 0 | 125.9 | ||||
| 404 | S | 33.1 | Very low | 32.3 | Very low | 108 Ų | 108 | 128.8 Ų | 128.8 | 76% | 0.755 | 80% | 0.801 | S | S | * | * | 93.6 | 118.2 | 127.4 | 69.4 | 0 | 0 | 0 | 0 | 129.6 | |||||
| 405 | S | 32.3 | Very low | 32.3 | Very low | 120 Ų | 120 | 128.6 Ų | 128.6 | 84% | 0.839 | 80% | 0.802 | S | S | * | * | trans | 61.1 | 162.2 | 142.4 | 66.5 | 0 | 0 | 0 | 0 | 125.8 | ||||
| 406 | G | 30.6 | Very low | 32.5 | Very low | 75 Ų | 75 | 128.3 Ų | 128.3 | 77% | 0.773 | 80% | 0.801 | S | S | * | * | cis | 167 | 170.6 | -11.1 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 407 | F | 33.6 | Very low | 32.6 | Very low | 225 Ų | 225 | 126.4 Ų | 126.4 | 99% | 0.987 | 80% | 0.799 | S | S | * | * | trans | 102.7 | 167.9 | 164.5 | -92 | -85.4 | 0 | 0 | 0 | 126.1 | ||||
| 408 | A | 32.4 | Very low | 33.4 | Very low | 90 Ų | 90 | 126.7 Ų | 126.7 | 74% | 0.744 | 80% | 0.803 | S | S | * | * | trans | -158.2 | -169.9 | -143.6 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 409 | S | 33.9 | Very low | 33.5 | Very low | 112 Ų | 112 | 125.1 Ų | 125.1 | 78% | 0.783 | 80% | 0.8 | S | S | * | * | trans | 92.3 | 172.3 | 162.1 | -84.2 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 410 | T | 32.8 | Very low | 33.6 | Very low | 132 Ų | 132 | 125.6 Ų | 125.6 | 81% | 0.81 | 79% | 0.794 | S | S | * | * | -171 | 165.9 | -60.3 | 38.4 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 411 | A | 38.5 | Very low | 34.7 | Very low | 98 Ų | 98 | 123.3 Ų | 123.3 | 81% | 0.81 | 79% | 0.785 | S | S | * | * | trans | 127.5 | 156.5 | 141.4 | 0 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 412 | P | 52.4 | Low | 35.7 | Very low | 113 Ų | 113 | 120.2 Ų | 120.2 | 73% | 0.734 | 77% | 0.77 | S | S | * | * | trans | -137.6 | -154.5 | -170.2 | 41.6 | -18.8 | 0 | 0 | 0 | 117.4 | ||||
| 413 | I | 37.6 | Very low | 37 | Very low | 167 Ų | 167 | 123.5 Ų | 123.5 | 86% | 0.856 | 77% | 0.774 | S | S | * | * | trans | 109.6 | 158.9 | 165.3 | -59.7 | 159.4 | 0 | 0 | 0 | 116.5 | ||||
| 414 | A | 30.3 | Very low | 38.3 | Very low | 88 Ų | 88 | 123.9 Ų | 123.9 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | -176.9 | 178.8 | -58.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 415 | S | 38 | Very low | 39.5 | Very low | 127 Ų | 127 | 124.9 Ų | 124.9 | 89% | 0.888 | 76% | 0.758 | S | S | * | * | trans | 102.4 | 177.9 | 159.9 | 80.9 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 416 | S | 29 | Very low | 41.2 | Very low | 113 Ų | 113 | 121.3 Ų | 121.3 | 79% | 0.79 | 73% | 0.734 | S | S | * | * | trans | -161.7 | 164.2 | -137.8 | 50.5 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 417 | A | 32.5 | Very low | 43.3 | Very low | 97 Ų | 97 | 126.9 Ų | 126.9 | 80% | 0.802 | 73% | 0.731 | S | S | * | * | trans | 74.5 | 172 | 162 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 418 | P | 43.7 | Very low | 45.2 | Very low | 119 Ų | 119 | 124 Ų | 124 | 77% | 0.773 | 72% | 0.715 | S | S | * | * | cis | -138 | 164.5 | -23.9 | 38.1 | -19.1 | 0 | 0 | 0 | 118.3 | ||||
| 419 | D | 28.4 | Very low | 47.2 | Very low | 141 Ų | 141 | 122.9 Ų | 122.9 | 75% | 0.754 | 69% | 0.694 | S | S | * | * | trans | 35.7 | 142.6 | 143.6 | -87.8 | -23.3 | 0 | 0 | 0 | 129.3 | ||||
| 420 | L | 29.6 | Very low | 49.4 | Very low | 109 Ų | 109 | 123.8 Ų | 123.8 | 57% | 0.571 | 69% | 0.686 | S | S | * | * | trans | 75.6 | 110.8 | 148 | -66.9 | 171.1 | 0 | 0 | 0 | 122.5 | D422 R425 | L420-D422 VanDerWaalsContact CA-OD1 3.29Å; L420-D422 WeakPolarHBondContact CA-OD1 3.45Å; L420-D422 VanDerWaalsContact CD2-OD2 3.24Å; L420-D422 WeakPolarHBondContact CD2-OD2 3.4Å; L420-R425 PolarHBondContact O-NH1 2.83Å | ||
| 421 | L | 49.9 | Very low | 51.7 | Low | 134 Ų | 134 | 122.7 Ų | 122.7 | 70% | 0.702 | 67% | 0.672 | S | S | * | * | trans | 167.4 | 79.1 | 140.1 | -93.2 | 165.8 | 0 | 0 | 0 | 108.8 | E423 R425 | L421-E423 PolarHBondContact O-N 2.89Å; L421-R425 WeakPolarHBondContact O-CB 3.47Å | ||
| 422 | D | 54.1 | Low | 53.7 | Low | 105 Ų | 105 | 123.4 Ų | 123.4 | 56% | 0.561 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | -93.7 | 2.7 | -124.6 | -53.8 | -47.2 | 0 | 0 | 0 | 120.3 | L420 S426 | L420-D422 VanDerWaalsContact CA-OD1 3.29Å; L420-D422 WeakPolarHBondContact CA-OD1 3.45Å; L420-D422 VanDerWaalsContact CD2-OD2 3.24Å; L420-D422 WeakPolarHBondContact CD2-OD2 3.4Å; D422-S426 WeakPolarHBondContact O-CB 3.29Å | |
| 423 | E | 55.8 | Low | 55.2 | Low | 170 Ų | 170 | 121.9 Ų | 121.9 | 79% | 0.794 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.8 | -54.5 | -176.5 | -68.8 | -169.4 | 169 | 0 | 0 | 114.3 | L421 R427 | L421-E423 PolarHBondContact O-N 2.89Å; E423-R427 PolarHBondContact O-N 3.14Å |
| 424 | E | 56.1 | Low | 57.5 | Low | 158 Ų | 158 | 121.4 Ų | 121.4 | 74% | 0.738 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -72.5 | -39.1 | 174.8 | -66.1 | -173.8 | 153.1 | 0 | 0 | 111.3 | R427 Y428 | E424-R427 PolarHBondContact O-N 3.3Å; E424-Y428 VanDerWaalsContact O-CD2 3.22Å; E424-Y428 WeakPolarHBondContact O-CD2 3.29Å; E424-Y428 PolarHBondContact O-N 2.99Å |
| 425 | R | 57.9 | Low | 60.1 | Low | 129 Ų | 129 | 122 Ų | 122 | 49% | 0.487 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -63.5 | -43.6 | 175.6 | -147.1 | -176.8 | -165.2 | -178.7 | -3 | 110.3 | L420 L421 R427 Y428 E429 | L420-R425 PolarHBondContact O-NH1 2.83Å; L421-R425 WeakPolarHBondContact O-CB 3.47Å; R425-R427 PolarHBondContact O-N 2.85Å; R425-Y428 CarbonylContact O-C 3.53Å; R425-Y428 PolarHBondContact O-N 2.94Å; R425-Y428 VanDerWaalsContact O-N 3.11Å; R425-E429 WeakPolarHBondContact CG-OE2 3.37Å; R425-E429 WeakPolarHBondContact O-CB 3.13Å; R425-E429 PolarHBondContact O-N 2.89Å |
| 426 | S | 67.2 | Low | 62.3 | Low | 46 Ų | 46 | 122.5 Ų | 122.5 | 32% | 0.322 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -54.1 | -44.9 | 174.2 | 172.5 | 0 | 0 | 0 | 0 | 113 | D422 Y428 E429 E430 | D422-S426 WeakPolarHBondContact O-CB 3.29Å; S426-Y428 PolarHBondContact O-N 2.8Å; S426-E429 CarbonylContact O-C 3.58Å; S426-E429 VanDerWaalsContact O-CB 3.32Å; S426-E429 WeakPolarHBondContact O-CB 2.93Å; S426-E429 PolarHBondContact O-N 2.89Å; S426-E430 WeakPolarHBondContact O-CB 3.49Å; S426-E430 WeakPolarHBondContact O-CG 3.48Å; S426-E430 PolarHBondContact O-N 2.79Å |
| 427 | R | 74.7 | Confident | 65 | Low | 191 Ų | 191 | 122.3 Ų | 122.3 | 72% | 0.721 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -62 | -42.4 | 175.7 | -67.8 | -172.1 | -169.9 | -146.3 | 5 | 113.1 | E423 E424 R425 E429 E430 E431 | E423-R427 PolarHBondContact O-N 3.14Å; E424-R427 PolarHBondContact O-N 3.3Å; R425-R427 PolarHBondContact O-N 2.85Å; R427-E429 VanDerWaalsContact C-N 3.35Å; R427-E430 PolarHBondContact O-N 3.08Å; R427-E431 WeakPolarHBondContact O-CB 3.22Å; R427-E431 PolarHBondContact O-N 2.83Å |
| 428 | Y | 74.6 | Confident | 67.7 | Low | 164 Ų | 164 | 121.9 Ų | 121.9 | 64% | 0.643 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -71.6 | -30 | 175.6 | -69.3 | -59.5 | 0 | 0 | 0 | 112.3 | E424 R425 S426 R432 | E424-Y428 VanDerWaalsContact O-CD2 3.22Å; E424-Y428 WeakPolarHBondContact O-CD2 3.29Å; E424-Y428 PolarHBondContact O-N 2.99Å; R425-Y428 CarbonylContact O-C 3.53Å; R425-Y428 PolarHBondContact O-N 2.94Å; R425-Y428 VanDerWaalsContact O-N 3.11Å; S426-Y428 PolarHBondContact O-N 2.8Å; Y428-R432 WeakPolarHBondContact O-CB 3.23Å; Y428-R432 PolarHBondContact O-N 3.24Å |
| 429 | E | 74.8 | Confident | 69.8 | Low | 68 Ų | 68 | 120.6 Ų | 120.6 | 32% | 0.318 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -63.6 | -49.9 | 170.4 | -126.8 | 82.5 | -128.7 | 0 | 0 | 110.1 | R425 S426 R427 R432 V433 | R425-E429 WeakPolarHBondContact CG-OE2 3.37Å; R425-E429 WeakPolarHBondContact O-CB 3.13Å; R425-E429 PolarHBondContact O-N 2.89Å; S426-E429 CarbonylContact O-C 3.58Å; S426-E429 VanDerWaalsContact O-CB 3.32Å; S426-E429 WeakPolarHBondContact O-CB 2.93Å; S426-E429 PolarHBondContact O-N 2.89Å; R427-E429 VanDerWaalsContact C-N 3.35Å; E429-R432 PolarHBondContact O-N 3.11Å; E429-R432 IonicContact OE1-CZ 3.97Å; E429-R432 IonicContact OE1-NH1 3.5Å; E429-R432 PolarHBondContact OE1-NH1 2.91Å; E429-R432 IonicContact OE1-NH2 3.77Å; E429-R432 PolarHBondContact OE1-NH2 2.88Å; E429-V433 WeakPolarHBondContact O-CB 3.41Å; E429-V433 VanDerWaalsContact O-CG2 3.23Å; E429-V433 WeakPolarHBondContact O-CG2 3.37Å; E429-V433 PolarHBondContact O-N 3.1Å |
| 430 | E | 79.2 | Confident | 72.5 | Confident | 131 Ų | 131 | 118.6 Ų | 118.6 | 61% | 0.612 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -61.7 | -46.2 | 177.1 | -76.1 | -177.7 | 167.5 | 0 | 0 | 111.7 | S426 R427 V433 R434 | S426-E430 WeakPolarHBondContact O-CB 3.49Å; S426-E430 WeakPolarHBondContact O-CG 3.48Å; S426-E430 PolarHBondContact O-N 2.79Å; R427-E430 PolarHBondContact O-N 3.08Å; E430-V433 PolarHBondContact O-N 3.43Å; E430-R434 VanDerWaalsContact O-CB 3.23Å; E430-R434 WeakPolarHBondContact O-CB 3.35Å; E430-R434 PolarHBondContact O-N 3.48Å |
| 431 | E | 82.5 | Confident | 75.4 | Confident | 109 Ų | 109 | 118.1 Ų | 118.1 | 51% | 0.509 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -66.4 | -38.7 | 177.5 | -173.9 | 160.1 | -139.3 | 0 | 0 | 111.7 | R427 R434 L435 | R427-E431 WeakPolarHBondContact O-CB 3.22Å; R427-E431 PolarHBondContact O-N 2.83Å; E431-R434 PolarHBondContact O-N 3.31Å; E431-L435 HydrophobicContact CG-CD1 4.33Å; E431-L435 WeakPolarHBondContact O-CB 3.29Å; E431-L435 VanDerWaalsContact O-CG 3.28Å; E431-L435 WeakPolarHBondContact O-CG 3.3Å; E431-L435 PolarHBondContact O-N 3.12Å |
| 432 | R | 80.5 | Confident | 77.2 | Confident | 112 Ų | 112 | 116.7 Ų | 116.7 | 42% | 0.423 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -67.6 | -42.3 | 174.5 | -171.5 | -170.3 | 71.4 | -134.1 | -2.2 | 112.2 | Y428 E429 R434 L435 Y436 | Y428-R432 WeakPolarHBondContact O-CB 3.23Å; Y428-R432 PolarHBondContact O-N 3.24Å; E429-R432 PolarHBondContact O-N 3.11Å; E429-R432 IonicContact OE1-CZ 3.97Å; E429-R432 IonicContact OE1-NH1 3.5Å; E429-R432 PolarHBondContact OE1-NH1 2.91Å; E429-R432 IonicContact OE1-NH2 3.77Å; E429-R432 PolarHBondContact OE1-NH2 2.88Å; R432-R434 VanDerWaalsContact C-N 3.33Å; R432-L435 PolarHBondContact O-N 2.92Å; R432-Y436 HydrophobicContact CG-CD2 3.82Å; R432-Y436 HydrophobicContact CG-CE2 3.57Å; R432-Y436 WeakPolarHBondContact O-CD2 3.43Å; R432-Y436 PolarHBondContact O-N 3.14Å |
| 433 | V | 82.4 | Confident | 78.9 | Confident | 82 Ų | 82 | 115.8 Ų | 115.8 | 50% | 0.497 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63 | -41.9 | 174.7 | 166.3 | 0 | 0 | 0 | 0 | 110.3 | E429 E430 L435 Y436 Q437 | E429-V433 WeakPolarHBondContact O-CB 3.41Å; E429-V433 VanDerWaalsContact O-CG2 3.23Å; E429-V433 WeakPolarHBondContact O-CG2 3.37Å; E429-V433 PolarHBondContact O-N 3.1Å; E430-V433 PolarHBondContact O-N 3.43Å; V433-L435 PolarHBondContact O-N 2.95Å; V433-Y436 PolarHBondContact O-N 3.46Å; V433-Q437 WeakPolarHBondContact O-CB 3.14Å; V433-Q437 PolarHBondContact O-N 2.81Å |
| 434 | R | 85.4 | Confident | 80.6 | Confident | 156 Ų | 156 | 112.1 Ų | 112.1 | 59% | 0.589 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.9 | -39.6 | 174.2 | -175.3 | -176.9 | -180 | -147.3 | -0.4 | 112.4 | E430 E431 R432 Q438 | E430-R434 VanDerWaalsContact O-CB 3.23Å; E430-R434 WeakPolarHBondContact O-CB 3.35Å; E430-R434 PolarHBondContact O-N 3.48Å; E431-R434 PolarHBondContact O-N 3.31Å; R432-R434 VanDerWaalsContact C-N 3.33Å; R434-Q438 WeakPolarHBondContact O-CB 3.38Å; R434-Q438 WeakPolarHBondContact O-CG 3.41Å; R434-Q438 PolarHBondContact O-N 2.81Å |
| 435 | L | 85.9 | Confident | 82.2 | Confident | 102 Ų | 102 | 108.4 Ų | 108.4 | 53% | 0.534 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -69.1 | -38.9 | 175.3 | -75.5 | 168.8 | 0 | 0 | 0 | 112.3 | E431 R432 V433 Q438 L439 | E431-L435 HydrophobicContact CG-CD1 4.33Å; E431-L435 WeakPolarHBondContact O-CB 3.29Å; E431-L435 VanDerWaalsContact O-CG 3.28Å; E431-L435 WeakPolarHBondContact O-CG 3.3Å; E431-L435 PolarHBondContact O-N 3.12Å; R432-L435 PolarHBondContact O-N 2.92Å; V433-L435 PolarHBondContact O-N 2.95Å; L435-Q438 PolarHBondContact O-N 3.15Å; L435-L439 WeakPolarHBondContact O-CB 3.4Å; L435-L439 PolarHBondContact O-N 3.05Å |
| 436 | Y | 83.3 | Confident | 83.8 | Confident | 137 Ų | 137 | 106.6 Ų | 106.6 | 54% | 0.537 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.5 | -44 | 171.8 | -81.8 | -60.1 | 0 | 0 | 0 | 111.6 | R432 V433 Q438 L439 D440 | R432-Y436 HydrophobicContact CG-CD2 3.82Å; R432-Y436 HydrophobicContact CG-CE2 3.57Å; R432-Y436 WeakPolarHBondContact O-CD2 3.43Å; R432-Y436 PolarHBondContact O-N 3.14Å; V433-Y436 PolarHBondContact O-N 3.46Å; Y436-Q438 VanDerWaalsContact C-N 3.3Å; Y436-Q438 PolarHBondContact O-N 2.88Å; Y436-L439 CarbonylContact O-C 3.55Å; Y436-L439 WeakPolarHBondContact O-CA 3.16Å; Y436-L439 WeakPolarHBondContact O-CB 3.49Å; Y436-L439 PolarHBondContact O-N 3Å; Y436-D440 PolarHBondContact O-N 2.78Å |
| 437 | Q | 87.5 | Confident | 85 | Confident | 109 Ų | 109 | 110 Ų | 110 | 51% | 0.509 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.2 | -39.3 | 175.7 | -174.9 | 172.9 | 2.8 | 0 | 0 | 111.9 | V433 L439 E441 | V433-Q437 WeakPolarHBondContact O-CB 3.14Å; V433-Q437 PolarHBondContact O-N 2.81Å; Q437-L439 VanDerWaalsContact C-N 3.32Å; Q437-E441 WeakPolarHBondContact O-CB 3.33Å; Q437-E441 VanDerWaalsContact O-CG 3.26Å; Q437-E441 WeakPolarHBondContact O-CG 3.28Å; Q437-E441 PolarHBondContact O-N 2.87Å |
| 438 | Q | 87.8 | Confident | 85.7 | Confident | 87 Ų | 87 | 107 Ų | 107 | 41% | 0.407 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.6 | -29.9 | 172.1 | -76.4 | -178.8 | -6.2 | 0 | 0 | 113.2 | R434 L435 Y436 K442 | R434-Q438 WeakPolarHBondContact O-CB 3.38Å; R434-Q438 WeakPolarHBondContact O-CG 3.41Å; R434-Q438 PolarHBondContact O-N 2.81Å; L435-Q438 PolarHBondContact O-N 3.15Å; Y436-Q438 VanDerWaalsContact C-N 3.3Å; Y436-Q438 PolarHBondContact O-N 2.88Å; Q438-K442 WeakPolarHBondContact O-CB 3.45Å; Q438-K442 WeakPolarHBondContact O-CG 3.5Å; Q438-K442 PolarHBondContact O-N 3.44Å; Q438-K442 VanDerWaalsContact O-N 3.13Å |
| 439 | L | 87.7 | Confident | 86.5 | Confident | 92 Ų | 92 | 105.4 Ų | 105.4 | 48% | 0.482 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -72.4 | -46.4 | 175.5 | -169 | 67.8 | 0 | 0 | 0 | 110.5 | L435 Y436 Q437 E441 K442 D443 | L435-L439 WeakPolarHBondContact O-CB 3.4Å; L435-L439 PolarHBondContact O-N 3.05Å; Y436-L439 CarbonylContact O-C 3.55Å; Y436-L439 WeakPolarHBondContact O-CA 3.16Å; Y436-L439 WeakPolarHBondContact O-CB 3.49Å; Y436-L439 PolarHBondContact O-N 3Å; Q437-L439 VanDerWaalsContact C-N 3.32Å; L439-E441 PolarHBondContact O-N 3.14Å; L439-K442 CarbonylContact O-C 3.58Å; L439-K442 WeakPolarHBondContact O-CA 3.33Å; L439-K442 PolarHBondContact O-N 2.63Å; L439-D443 PolarHBondContact O-N 3.31Å |
| 440 | D | 86.7 | Confident | 87.3 | Confident | 100 Ų | 100 | 105.4 Ų | 105.4 | 54% | 0.535 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.4 | -46.1 | 174.8 | -65.9 | -17.4 | 0 | 0 | 0 | 110.9 | Y436 K442 D443 D444 | Y436-D440 PolarHBondContact O-N 2.78Å; D440-K442 PolarHBondContact O-N 2.77Å; D440-D443 PolarHBondContact O-N 2.87Å; D440-D444 WeakPolarHBondContact O-CB 3.45Å; D440-D444 PolarHBondContact O-N 3.42Å |
| 441 | E | 88.8 | Confident | 87.9 | Confident | 99 Ų | 99 | 103.5 Ų | 103.5 | 46% | 0.463 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -58.1 | -35 | 173.3 | -77.9 | 172.4 | -169.3 | 0 | 0 | 112.3 | Q437 L439 E445 | Q437-E441 WeakPolarHBondContact O-CB 3.33Å; Q437-E441 VanDerWaalsContact O-CG 3.26Å; Q437-E441 WeakPolarHBondContact O-CG 3.28Å; Q437-E441 PolarHBondContact O-N 2.87Å; L439-E441 PolarHBondContact O-N 3.14Å; E441-E445 WeakPolarHBondContact O-CG 3.22Å; E441-E445 PolarHBondContact O-N 3Å; E441-E445 VanDerWaalsContact O-N 3.08Å |
| 442 | K | 89.5 | Confident | 88.3 | Confident | 103 Ų | 103 | 103 Ų | 103 | 45% | 0.448 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -79.3 | -35.7 | 178.2 | -73 | -72.1 | 164.8 | -132.6 | 0 | 113 | Q438 L439 D440 E445 I446 | Q438-K442 WeakPolarHBondContact O-CB 3.45Å; Q438-K442 WeakPolarHBondContact O-CG 3.5Å; Q438-K442 PolarHBondContact O-N 3.44Å; Q438-K442 VanDerWaalsContact O-N 3.13Å; L439-K442 CarbonylContact O-C 3.58Å; L439-K442 WeakPolarHBondContact O-CA 3.33Å; L439-K442 PolarHBondContact O-N 2.63Å; D440-K442 PolarHBondContact O-N 2.77Å; K442-E445 IonicContact NZ-OE1 2.69Å; K442-E445 PolarHBondContact NZ-OE1 3.29Å; K442-E445 IonicContact NZ-OE2 3.12Å; K442-E445 PolarHBondContact NZ-OE2 3.36Å; K442-E445 PolarHBondContact O-N 3.31Å; K442-I446 WeakPolarHBondContact O-CB 3.49Å; K442-I446 WeakPolarHBondContact O-CD1 3.48Å; K442-I446 WeakPolarHBondContact O-CG1 3.42Å; K442-I446 PolarHBondContact O-N 3.02Å |
| 443 | D | 88.6 | Confident | 88.8 | Confident | 87 Ų | 87 | 100.2 Ų | 100.2 | 47% | 0.465 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -68.4 | -37 | 173.7 | -78.1 | -23.1 | 0 | 0 | 0 | 110.7 | L439 D440 I446 Q447 | L439-D443 PolarHBondContact O-N 3.31Å; D440-D443 PolarHBondContact O-N 2.87Å; D443-I446 PolarHBondContact O-N 3.35Å; D443-Q447 VanDerWaalsContact O-CB 3.31Å; D443-Q447 WeakPolarHBondContact O-CB 3.17Å; D443-Q447 PolarHBondContact O-N 3.36Å |
| 444 | D | 91.1 | Very high | 89.3 | Confident | 92 Ų | 92 | 101.4 Ų | 101.4 | 49% | 0.492 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.3 | -45.8 | 168.9 | -86.5 | -13 | 0 | 0 | 0 | 111.9 | D440 Q447 Q448 | D440-D444 WeakPolarHBondContact O-CB 3.45Å; D440-D444 PolarHBondContact O-N 3.42Å; D444-Q447 PolarHBondContact O-N 2.94Å; D444-Q448 WeakPolarHBondContact O-CB 3.46Å; D444-Q448 VanDerWaalsContact O-CG 3.24Å; D444-Q448 WeakPolarHBondContact O-CG 3.29Å; D444-Q448 PolarHBondContact O-N 3.41Å |
| 445 | E | 91.3 | Very high | 89.6 | Confident | 80 Ų | 80 | 100.7 Ų | 100.7 | 37% | 0.374 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.4 | -44.8 | 173.4 | -81.9 | 178.1 | -151.1 | 0 | 0 | 112 | E441 K442 Q448 Q449 | E441-E445 WeakPolarHBondContact O-CG 3.22Å; E441-E445 PolarHBondContact O-N 3Å; E441-E445 VanDerWaalsContact O-N 3.08Å; K442-E445 IonicContact NZ-OE1 2.69Å; K442-E445 PolarHBondContact NZ-OE1 3.29Å; K442-E445 IonicContact NZ-OE2 3.12Å; K442-E445 PolarHBondContact NZ-OE2 3.36Å; K442-E445 PolarHBondContact O-N 3.31Å; E445-Q448 PolarHBondContact O-N 3.43Å; E445-Q449 WeakPolarHBondContact O-CB 3.44Å; E445-Q449 WeakPolarHBondContact O-CG 3.1Å; E445-Q449 PolarHBondContact O-N 2.85Å |
| 446 | I | 91.5 | Very high | 89.9 | Confident | 92 Ų | 92 | 100 Ų | 100 | 47% | 0.472 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.2 | -40.4 | 178.5 | -72 | 163.7 | 0 | 0 | 0 | 110.6 | K442 D443 Q449 S450 | K442-I446 WeakPolarHBondContact O-CB 3.49Å; K442-I446 WeakPolarHBondContact O-CD1 3.48Å; K442-I446 WeakPolarHBondContact O-CG1 3.42Å; K442-I446 PolarHBondContact O-N 3.02Å; D443-I446 PolarHBondContact O-N 3.35Å; I446-Q449 PolarHBondContact O-N 2.88Å; I446-S450 VanDerWaalsContact O-CB 3.28Å; I446-S450 WeakPolarHBondContact O-CB 3.47Å; I446-S450 PolarHBondContact O-N 3.37Å; I446-S450 PolarHBondContact O-OG 2.7Å |
| 447 | Q | 90.7 | Very high | 90.3 | Very high | 117 Ų | 117 | 99.3 Ų | 99.3 | 55% | 0.547 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -67.2 | -41.7 | 177.9 | -163.9 | -179.5 | 48.9 | 0 | 0 | 111 | D443 D444 S450 Q451 | D443-Q447 VanDerWaalsContact O-CB 3.31Å; D443-Q447 WeakPolarHBondContact O-CB 3.17Å; D443-Q447 PolarHBondContact O-N 3.36Å; D444-Q447 PolarHBondContact O-N 2.94Å; Q447-S450 PolarHBondContact O-N 3.48Å; Q447-Q451 WeakPolarHBondContact O-CG 3.32Å; Q447-Q451 PolarHBondContact O-N 3.03Å |
| 448 | Q | 90.9 | Very high | 90.5 | Very high | 128 Ų | 128 | 99.7 Ų | 99.7 | 60% | 0.598 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -62.4 | -44.9 | 173.3 | -72.4 | 174 | 42.4 | 0 | 0 | 112.1 | D444 E445 Q451 L452 | D444-Q448 WeakPolarHBondContact O-CB 3.46Å; D444-Q448 VanDerWaalsContact O-CG 3.24Å; D444-Q448 WeakPolarHBondContact O-CG 3.29Å; D444-Q448 PolarHBondContact O-N 3.41Å; E445-Q448 PolarHBondContact O-N 3.43Å; Q448-Q451 PolarHBondContact O-N 3.21Å; Q448-L452 WeakPolarHBondContact O-CB 3.32Å; Q448-L452 PolarHBondContact O-N 3.47Å |
| 449 | Q | 90.5 | Very high | 90.6 | Very high | 131 Ų | 131 | 100.7 Ų | 100.7 | 61% | 0.612 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -63.9 | -40.3 | 175.9 | -74.6 | -177 | 24.4 | 0 | 0 | 112.1 | E445 I446 L452 A453 | E445-Q449 WeakPolarHBondContact O-CB 3.44Å; E445-Q449 WeakPolarHBondContact O-CG 3.1Å; E445-Q449 PolarHBondContact O-N 2.85Å; I446-Q449 PolarHBondContact O-N 2.88Å; Q449-L452 PolarHBondContact O-N 3.25Å; Q449-A453 WeakPolarHBondContact O-CB 3.35Å; Q449-A453 PolarHBondContact O-N 2.77Å |
| 450 | S | 91.5 | Very high | 90.8 | Very high | 68 Ų | 68 | 101.6 Ų | 101.6 | 48% | 0.476 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.3 | -43.5 | 177.7 | -59.5 | 0 | 0 | 0 | 0 | 111.7 | I446 Q447 L452 A453 E454 | I446-S450 VanDerWaalsContact O-CB 3.28Å; I446-S450 WeakPolarHBondContact O-CB 3.47Å; I446-S450 PolarHBondContact O-N 3.37Å; I446-S450 PolarHBondContact O-OG 2.7Å; Q447-S450 PolarHBondContact O-N 3.48Å; S450-L452 VanDerWaalsContact C-N 3.33Å; S450-L452 PolarHBondContact O-N 3.44Å; S450-A453 PolarHBondContact O-N 3.33Å; S450-E454 PolarHBondContact O-N 3.23Å |
| 451 | Q | 90.9 | Very high | 91.1 | Very high | 90 Ų | 90 | 99.1 Ų | 99.1 | 42% | 0.421 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.4 | -39.5 | 172.8 | -72.3 | 179.2 | 26.3 | 0 | 0 | 112.3 | Q447 Q448 R455 | Q447-Q451 WeakPolarHBondContact O-CG 3.32Å; Q447-Q451 PolarHBondContact O-N 3.03Å; Q448-Q451 PolarHBondContact O-N 3.21Å; Q451-R455 WeakPolarHBondContact O-CG 3.35Å; Q451-R455 PolarHBondContact O-N 2.91Å |
| 452 | L | 92.5 | Very high | 91.2 | Very high | 99 Ų | 99 | 99.8 Ų | 99.8 | 52% | 0.518 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -68.7 | -40.6 | 178 | -175.4 | 145.6 | 0 | 0 | 0 | 111.6 | Q448 Q449 S450 R455 L456 | Q448-L452 WeakPolarHBondContact O-CB 3.32Å; Q448-L452 PolarHBondContact O-N 3.47Å; Q449-L452 PolarHBondContact O-N 3.25Å; S450-L452 VanDerWaalsContact C-N 3.33Å; S450-L452 PolarHBondContact O-N 3.44Å; L452-R455 PolarHBondContact O-N 2.9Å; L452-L456 HydrophobicContact CD2-CD1 3.6Å; L452-L456 HydrophobicContact CD2-CG 4.28Å; L452-L456 WeakPolarHBondContact O-CG 3.18Å; L452-L456 PolarHBondContact O-N 3.08Å |
| 453 | A | 90.3 | Very high | 91.2 | Very high | 54 Ų | 54 | 100.8 Ų | 100.8 | 45% | 0.446 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.3 | -44.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q449 S450 L456 K457 | Q449-A453 WeakPolarHBondContact O-CB 3.35Å; Q449-A453 PolarHBondContact O-N 2.77Å; S450-A453 PolarHBondContact O-N 3.33Å; A453-L456 PolarHBondContact O-N 2.92Å; A453-K457 VanDerWaalsContact O-CB 3.32Å; A453-K457 WeakPolarHBondContact O-CB 3.45Å; A453-K457 PolarHBondContact O-N 3.13Å |
| 454 | E | 92.3 | Very high | 91.3 | Very high | 106 Ų | 106 | 102.7 Ų | 102.7 | 50% | 0.495 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -68.5 | -37.4 | 178.5 | -156.5 | 63.7 | -151.2 | 0 | 0 | 111.5 | S450 K457 Q458 | S450-E454 PolarHBondContact O-N 3.23Å; E454-K457 PolarHBondContact O-N 3.43Å; E454-K457 IonicContact OE1-NZ 2.69Å; E454-K457 PolarHBondContact OE1-NZ 2.86Å; E454-K457 IonicContact OE2-NZ 3.85Å; E454-K457 PolarHBondContact OE2-NZ 3.45Å; E454-Q458 WeakPolarHBondContact O-CB 3.41Å; E454-Q458 PolarHBondContact O-N 3.03Å |
| 455 | R | 92.4 | Very high | 91.4 | Very high | 141 Ų | 141 | 103.6 Ų | 103.6 | 53% | 0.532 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.2 | -45 | 171.1 | -74 | -177.2 | -156.2 | 124.8 | 11.6 | 112.3 | Q451 L452 K457 Q458 Q459 | Q451-R455 WeakPolarHBondContact O-CG 3.35Å; Q451-R455 PolarHBondContact O-N 2.91Å; L452-R455 PolarHBondContact O-N 2.9Å; R455-K457 VanDerWaalsContact C-N 3.33Å; R455-K457 PolarHBondContact O-N 2.75Å; R455-Q458 PolarHBondContact O-N 3.47Å; R455-Q459 WeakPolarHBondContact O-CG 3.36Å; R455-Q459 PolarHBondContact O-N 2.94Å |
| 456 | L | 91.6 | Very high | 91.5 | Very high | 89 Ų | 89 | 106 Ų | 106 | 47% | 0.466 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.2 | -39.1 | 178 | -75.9 | 176.4 | 0 | 0 | 0 | 112.1 | L452 A453 Q459 L460 | L452-L456 HydrophobicContact CD2-CD1 3.6Å; L452-L456 HydrophobicContact CD2-CG 4.28Å; L452-L456 WeakPolarHBondContact O-CG 3.18Å; L452-L456 PolarHBondContact O-N 3.08Å; A453-L456 PolarHBondContact O-N 2.92Å; L456-Q459 PolarHBondContact O-N 3.45Å; L456-L460 WeakPolarHBondContact O-CG 3.47Å; L456-L460 PolarHBondContact O-N 2.87Å |
| 457 | K | 91.2 | Very high | 91.4 | Very high | 121 Ų | 121 | 106.7 Ų | 106.7 | 53% | 0.526 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.6 | -39.4 | 176.2 | -176.3 | -176.6 | 164.2 | -149.4 | 0 | 111.9 | A453 E454 R455 L460 A461 | A453-K457 VanDerWaalsContact O-CB 3.32Å; A453-K457 WeakPolarHBondContact O-CB 3.45Å; A453-K457 PolarHBondContact O-N 3.13Å; E454-K457 PolarHBondContact O-N 3.43Å; E454-K457 IonicContact OE1-NZ 2.69Å; E454-K457 PolarHBondContact OE1-NZ 2.86Å; E454-K457 IonicContact OE2-NZ 3.85Å; E454-K457 PolarHBondContact OE2-NZ 3.45Å; R455-K457 VanDerWaalsContact C-N 3.33Å; R455-K457 PolarHBondContact O-N 2.75Å; K457-L460 PolarHBondContact O-N 2.88Å; K457-A461 PolarHBondContact O-N 2.94Å |
| 458 | Q | 91.9 | Very high | 91.5 | Very high | 118 Ų | 118 | 104.9 Ų | 104.9 | 55% | 0.551 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64.2 | -44.2 | 172.8 | -170.6 | 171.8 | 6.8 | 0 | 0 | 111.6 | E454 R455 L460 A461 E462 | E454-Q458 WeakPolarHBondContact O-CB 3.41Å; E454-Q458 PolarHBondContact O-N 3.03Å; R455-Q458 PolarHBondContact O-N 3.47Å; Q458-L460 VanDerWaalsContact C-N 3.32Å; Q458-L460 PolarHBondContact O-N 3.05Å; Q458-A461 PolarHBondContact O-N 2.98Å; Q458-E462 WeakPolarHBondContact O-CG 3.37Å; Q458-E462 PolarHBondContact O-N 2.88Å |
| 459 | Q | 91.5 | Very high | 91.6 | Very high | 108 Ų | 108 | 103.8 Ų | 103.8 | 51% | 0.505 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.7 | -34.9 | 174.7 | -74 | -178.5 | -29.3 | 0 | 0 | 113.4 | R455 L456 Q463 | R455-Q459 WeakPolarHBondContact O-CG 3.36Å; R455-Q459 PolarHBondContact O-N 2.94Å; L456-Q459 PolarHBondContact O-N 3.45Å; Q459-Q463 WeakPolarHBondContact O-CG 3.45Å; Q459-Q463 PolarHBondContact O-N 3.18Å |
| 460 | L | 91.6 | Very high | 91.6 | Very high | 111 Ų | 111 | 101 Ų | 101 | 58% | 0.581 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -67.5 | -41.8 | 174.5 | -76.6 | 167.1 | 0 | 0 | 0 | 111.7 | L456 K457 Q458 Q463 E464 | L456-L460 WeakPolarHBondContact O-CG 3.47Å; L456-L460 PolarHBondContact O-N 2.87Å; K457-L460 PolarHBondContact O-N 2.88Å; Q458-L460 VanDerWaalsContact C-N 3.32Å; Q458-L460 PolarHBondContact O-N 3.05Å; L460-Q463 PolarHBondContact O-N 2.88Å; L460-E464 WeakPolarHBondContact O-CB 3.46Å; L460-E464 PolarHBondContact O-N 3.27Å |
| 461 | A | 91.7 | Very high | 91.7 | Very high | 48 Ų | 48 | 105.6 Ų | 105.6 | 40% | 0.397 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.4 | -46.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | K457 Q458 Q463 E464 D465 | K457-A461 PolarHBondContact O-N 2.94Å; Q458-A461 PolarHBondContact O-N 2.98Å; A461-Q463 VanDerWaalsContact C-N 3.28Å; A461-Q463 PolarHBondContact O-N 3.38Å; A461-E464 PolarHBondContact O-N 3.19Å; A461-E464 VanDerWaalsContact O-N 3.13Å; A461-D465 PolarHBondContact O-N 3.18Å |
| 462 | E | 92.1 | Very high | 91.8 | Very high | 113 Ų | 113 | 104.4 Ų | 104.4 | 53% | 0.528 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -58.8 | -37.2 | 175.3 | -72.2 | 171.7 | -170.3 | 0 | 0 | 112.5 | Q458 L466 | Q458-E462 WeakPolarHBondContact O-CG 3.37Å; Q458-E462 PolarHBondContact O-N 2.88Å; E462-L466 WeakPolarHBondContact O-CB 3.47Å; E462-L466 PolarHBondContact O-N 2.86Å; E462-L466 VanDerWaalsContact O-N 3.09Å |
| 463 | Q | 89 | Confident | 91.7 | Very high | 123 Ų | 123 | 103.7 Ų | 103.7 | 58% | 0.575 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -72.1 | -36.2 | 174.5 | -76.8 | -174.6 | 4.4 | 0 | 0 | 113.3 | Q459 L460 A461 L466 L467 | Q459-Q463 WeakPolarHBondContact O-CG 3.45Å; Q459-Q463 PolarHBondContact O-N 3.18Å; L460-Q463 PolarHBondContact O-N 2.88Å; A461-Q463 VanDerWaalsContact C-N 3.28Å; A461-Q463 PolarHBondContact O-N 3.38Å; Q463-L466 PolarHBondContact O-N 3.37Å; Q463-L467 WeakPolarHBondContact O-CB 3.25Å; Q463-L467 WeakPolarHBondContact O-CG 3.28Å; Q463-L467 PolarHBondContact O-N 2.97Å |
| 464 | E | 91.1 | Very high | 91.8 | Very high | 127 Ų | 127 | 108.6 Ų | 108.6 | 59% | 0.593 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -67.3 | -42.7 | 176.8 | -171.5 | 164.9 | -164.5 | 0 | 0 | 111 | L460 A461 L467 N468 | L460-E464 WeakPolarHBondContact O-CB 3.46Å; L460-E464 PolarHBondContact O-N 3.27Å; A461-E464 PolarHBondContact O-N 3.19Å; A461-E464 VanDerWaalsContact O-N 3.13Å; E464-L467 PolarHBondContact O-N 3.29Å; E464-N468 WeakPolarHBondContact O-CB 3.24Å; E464-N468 VanDerWaalsContact O-CG 3.26Å; E464-N468 PolarHBondContact O-N 3.44Å; E464-N468 PolarHBondContact O-ND2 3.4Å; E464-N468 VanDerWaalsContact O-ND2 3.14Å |
| 465 | D | 92.6 | Very high | 91.8 | Very high | 111 Ų | 111 | 110 Ų | 110 | 59% | 0.594 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -61.7 | -43 | 172.5 | -74.2 | -24 | 0 | 0 | 0 | 112 | A461 L467 N468 Q469 | A461-D465 PolarHBondContact O-N 3.18Å; D465-L467 VanDerWaalsContact C-N 3.34Å; D465-L467 PolarHBondContact O-N 2.89Å; D465-N468 PolarHBondContact O-N 3.37Å; D465-Q469 PolarHBondContact O-N 3Å |
| 466 | L | 92.8 | Very high | 91.7 | Very high | 130 Ų | 130 | 105.9 Ų | 105.9 | 68% | 0.681 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -63.1 | -38.5 | 176.1 | -162.3 | 80.8 | 0 | 0 | 0 | 112.2 | E462 Q463 S470 | E462-L466 WeakPolarHBondContact O-CB 3.47Å; E462-L466 PolarHBondContact O-N 2.86Å; E462-L466 VanDerWaalsContact O-N 3.09Å; Q463-L466 PolarHBondContact O-N 3.37Å; L466-S470 WeakPolarHBondContact O-CB 3.14Å; L466-S470 PolarHBondContact O-N 3.32Å |
| 467 | L | 91.2 | Very high | 91.7 | Very high | 107 Ų | 107 | 106.4 Ų | 106.4 | 56% | 0.56 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -67.8 | -39.6 | 175 | -80.3 | 166.9 | 0 | 0 | 0 | 112.1 | Q463 E464 D465 S470 R471 | Q463-L467 WeakPolarHBondContact O-CB 3.25Å; Q463-L467 WeakPolarHBondContact O-CG 3.28Å; Q463-L467 PolarHBondContact O-N 2.97Å; E464-L467 PolarHBondContact O-N 3.29Å; D465-L467 VanDerWaalsContact C-N 3.34Å; D465-L467 PolarHBondContact O-N 2.89Å; L467-S470 PolarHBondContact O-N 2.97Å; L467-R471 WeakPolarHBondContact O-CG 3.41Å; L467-R471 PolarHBondContact O-N 3.21Å |
| 468 | N | 92.1 | Very high | 91.7 | Very high | 79 Ų | 79 | 105.8 Ų | 105.8 | 42% | 0.422 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -66 | -43.6 | 176.1 | -71.8 | -32.9 | 0 | 0 | 0 | 111.3 | E464 D465 R471 S472 | E464-N468 WeakPolarHBondContact O-CB 3.24Å; E464-N468 VanDerWaalsContact O-CG 3.26Å; E464-N468 PolarHBondContact O-N 3.44Å; E464-N468 PolarHBondContact O-ND2 3.4Å; E464-N468 VanDerWaalsContact O-ND2 3.14Å; D465-N468 PolarHBondContact O-N 3.37Å; N468-R471 PolarHBondContact O-N 3.42Å; N468-S472 PolarHBondContact O-N 3.01Å |
| 469 | Q | 92.3 | Very high | 91.7 | Very high | 105 Ų | 105 | 104.1 Ų | 104.1 | 49% | 0.491 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -61 | -47.2 | 173 | -174.3 | 61.2 | 47.6 | 0 | 0 | 111.3 | D465 R471 S472 D473 | D465-Q469 PolarHBondContact O-N 3Å; Q469-R471 PolarHBondContact O-N 2.94Å; Q469-S472 WeakPolarHBondContact O-CB 3.3Å; Q469-S472 PolarHBondContact O-N 3.49Å; Q469-S472 VanDerWaalsContact O-N 3.12Å; Q469-D473 PolarHBondContact NE2-OD1 2.97Å; Q469-D473 VanDerWaalsContact O-CG 3.29Å; Q469-D473 PolarHBondContact O-N 2.72Å |
| 470 | S | 91.7 | Very high | 91.7 | Very high | 72 Ų | 72 | 103 Ų | 103 | 50% | 0.503 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.4 | -28.4 | 178.8 | -178.3 | 0 | 0 | 0 | 0 | 113.5 | L466 L467 Y474 | L466-S470 WeakPolarHBondContact O-CB 3.14Å; L466-S470 PolarHBondContact O-N 3.32Å; L467-S470 PolarHBondContact O-N 2.97Å; S470-Y474 WeakPolarHBondContact O-CB 3.33Å; S470-Y474 PolarHBondContact O-N 3.44Å; S470-Y474 VanDerWaalsContact O-N 3.14Å |
| 471 | R | 92.9 | Very high | 91.7 | Very high | 165 Ų | 165 | 102.7 Ų | 102.7 | 62% | 0.623 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -73 | -45.4 | 172.3 | -75.9 | 174.7 | 177.4 | -178.2 | 1.5 | 111.6 | L467 N468 Q469 D473 Y474 E475 | L467-R471 WeakPolarHBondContact O-CG 3.41Å; L467-R471 PolarHBondContact O-N 3.21Å; N468-R471 PolarHBondContact O-N 3.42Å; Q469-R471 PolarHBondContact O-N 2.94Å; R471-D473 VanDerWaalsContact C-N 3.32Å; R471-D473 PolarHBondContact O-N 3.12Å; R471-Y474 WeakPolarHBondContact O-CB 3.42Å; R471-Y474 PolarHBondContact O-N 2.83Å; R471-Y474 VanDerWaalsContact O-N 3.17Å; R471-E475 WeakPolarHBondContact O-CG 3.46Å; R471-E475 PolarHBondContact O-N 2.74Å |
| 472 | S | 92.5 | Very high | 91.6 | Very high | 66 Ų | 66 | 103.2 Ų | 103.2 | 46% | 0.462 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -57.8 | -44.3 | 174.6 | -170.9 | 0 | 0 | 0 | 0 | 111.7 | N468 Q469 Y474 E475 A476 | N468-S472 PolarHBondContact O-N 3.01Å; Q469-S472 WeakPolarHBondContact O-CB 3.3Å; Q469-S472 PolarHBondContact O-N 3.49Å; Q469-S472 VanDerWaalsContact O-N 3.12Å; S472-Y474 PolarHBondContact O-N 3.28Å; S472-E475 PolarHBondContact O-N 3.05Å; S472-A476 WeakPolarHBondContact O-CB 3.42Å; S472-A476 PolarHBondContact O-N 2.78Å |
| 473 | D | 91.6 | Very high | 91.7 | Very high | 83 Ų | 83 | 103.2 Ų | 103.2 | 44% | 0.444 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.2 | -39.2 | 176.3 | -66.6 | -18.2 | 0 | 0 | 0 | 111.8 | Q469 R471 A476 V477 | Q469-D473 PolarHBondContact NE2-OD1 2.97Å; Q469-D473 VanDerWaalsContact O-CG 3.29Å; Q469-D473 PolarHBondContact O-N 2.72Å; R471-D473 VanDerWaalsContact C-N 3.32Å; R471-D473 PolarHBondContact O-N 3.12Å; D473-A476 PolarHBondContact O-N 2.87Å; D473-V477 WeakPolarHBondContact O-CB 3.46Å; D473-V477 VanDerWaalsContact O-CG2 3.28Å; D473-V477 WeakPolarHBondContact O-CG2 3.14Å; D473-V477 PolarHBondContact O-N 3.04Å |
| 474 | Y | 92.1 | Very high | 91.7 | Very high | 158 Ų | 158 | 100.7 Ų | 100.7 | 62% | 0.62 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -65.2 | -44.8 | 175.8 | -177.9 | -91.9 | 0 | 0 | 0 | 112.1 | S470 R471 S472 V477 Q478 | S470-Y474 WeakPolarHBondContact O-CB 3.33Å; S470-Y474 PolarHBondContact O-N 3.44Å; S470-Y474 VanDerWaalsContact O-N 3.14Å; R471-Y474 WeakPolarHBondContact O-CB 3.42Å; R471-Y474 PolarHBondContact O-N 2.83Å; R471-Y474 VanDerWaalsContact O-N 3.17Å; S472-Y474 PolarHBondContact O-N 3.28Å; Y474-V477 PolarHBondContact O-N 3.07Å; Y474-Q478 WeakPolarHBondContact O-CB 3.32Å; Y474-Q478 PolarHBondContact O-N 2.85Å |
| 475 | E | 92.1 | Very high | 91.7 | Very high | 134 Ų | 134 | 99.5 Ų | 99.5 | 63% | 0.626 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63.4 | -40.5 | 176 | -72.1 | 178.6 | -171.4 | 0 | 0 | 111.7 | R471 S472 Q478 S479 | R471-E475 WeakPolarHBondContact O-CG 3.46Å; R471-E475 PolarHBondContact O-N 2.74Å; S472-E475 PolarHBondContact O-N 3.05Å; E475-Q478 PolarHBondContact O-N 2.88Å; E475-S479 WeakPolarHBondContact O-CB 3.5Å; E475-S479 PolarHBondContact O-N 2.66Å |
| 476 | A | 90.9 | Very high | 91.6 | Very high | 55 Ų | 55 | 100.9 Ų | 100.9 | 46% | 0.455 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.3 | -46.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | S472 D473 Q478 S479 E480 | S472-A476 WeakPolarHBondContact O-CB 3.42Å; S472-A476 PolarHBondContact O-N 2.78Å; D473-A476 PolarHBondContact O-N 2.87Å; A476-Q478 VanDerWaalsContact C-N 3.34Å; A476-Q478 PolarHBondContact O-N 2.66Å; A476-S479 PolarHBondContact O-N 2.82Å; A476-E480 PolarHBondContact O-N 3.5Å |
| 477 | V | 91.5 | Very high | 91.3 | Very high | 100 Ų | 100 | 99.4 Ų | 99.4 | 61% | 0.606 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -64.3 | -37.3 | 175.9 | 169.1 | 0 | 0 | 0 | 0 | 111.7 | D473 Y474 M481 | D473-V477 WeakPolarHBondContact O-CB 3.46Å; D473-V477 VanDerWaalsContact O-CG2 3.28Å; D473-V477 WeakPolarHBondContact O-CG2 3.14Å; D473-V477 PolarHBondContact O-N 3.04Å; Y474-V477 PolarHBondContact O-N 3.07Å; V477-M481 WeakPolarHBondContact O-CB 3.4Å; V477-M481 PolarHBondContact O-N 3.3Å |
| 478 | Q | 91.2 | Very high | 91.2 | Very high | 108 Ų | 108 | 98.3 Ų | 98.3 | 51% | 0.505 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.7 | -40.4 | 176.5 | -171.5 | 171.8 | 3.3 | 0 | 0 | 111.7 | Y474 E475 A476 M481 S482 | Y474-Q478 WeakPolarHBondContact O-CB 3.32Å; Y474-Q478 PolarHBondContact O-N 2.85Å; E475-Q478 PolarHBondContact O-N 2.88Å; A476-Q478 VanDerWaalsContact C-N 3.34Å; A476-Q478 PolarHBondContact O-N 2.66Å; Q478-M481 PolarHBondContact O-N 3.28Å; Q478-S482 PolarHBondContact O-N 2.86Å; Q478-S482 PolarHBondContact O-OG 2.8Å |
| 479 | S | 91.6 | Very high | 91.1 | Very high | 83 Ų | 83 | 100.5 Ų | 100.5 | 58% | 0.58 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64 | -46.1 | 174.1 | -173.3 | 0 | 0 | 0 | 0 | 112.4 | E475 A476 M481 S482 R483 | E475-S479 WeakPolarHBondContact O-CB 3.5Å; E475-S479 PolarHBondContact O-N 2.66Å; A476-S479 PolarHBondContact O-N 2.82Å; S479-M481 PolarHBondContact O-N 3.23Å; S479-S482 PolarHBondContact O-N 3.21Å; S479-R483 PolarHBondContact O-N 3.23Å |
| 480 | E | 90.5 | Very high | 90.8 | Very high | 86 Ų | 86 | 98 Ų | 98 | 40% | 0.402 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.6 | -43.6 | 173.7 | -79.6 | -68.9 | 146.8 | 0 | 0 | 111.9 | A476 S482 R483 I484 | A476-E480 PolarHBondContact O-N 3.5Å; E480-S482 VanDerWaalsContact C-N 3.33Å; E480-S482 PolarHBondContact O-N 2.85Å; E480-R483 PolarHBondContact O-N 3.19Å; E480-R483 IonicContact OE1-CZ 3.4Å; E480-R483 IonicContact OE1-NH1 3.24Å; E480-R483 PolarHBondContact OE1-NH1 2.66Å; E480-R483 IonicContact OE1-NH2 2.95Å; E480-R483 IonicContact OE2-CZ 2.65Å; E480-R483 IonicContact OE2-NH1 2.71Å; E480-R483 PolarHBondContact OE2-NH1 3.04Å; E480-R483 VanDerWaalsContact OE2-NH1 3.13Å; E480-R483 IonicContact OE2-NH2 3.27Å; E480-R483 PolarHBondContact OE2-NH2 3.39Å; E480-I484 WeakPolarHBondContact O-CB 3.14Å; E480-I484 VanDerWaalsContact O-CG1 3.31Å; E480-I484 WeakPolarHBondContact O-CG1 3.27Å; E480-I484 PolarHBondContact O-N 2.68Å |
| 481 | M | 91.1 | Very high | 90.6 | Very high | 104 Ų | 104 | 96.7 Ų | 96.7 | 51% | 0.512 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.6 | -41 | 176.7 | -172.2 | 64.8 | -179.6 | 0 | 0 | 111.8 | V477 Q478 S479 Q485 | V477-M481 WeakPolarHBondContact O-CB 3.4Å; V477-M481 PolarHBondContact O-N 3.3Å; Q478-M481 PolarHBondContact O-N 3.28Å; S479-M481 PolarHBondContact O-N 3.23Å; M481-Q485 WeakPolarHBondContact O-CB 3.17Å; M481-Q485 VanDerWaalsContact O-CG 3.29Å; M481-Q485 WeakPolarHBondContact O-CG 3.27Å; M481-Q485 PolarHBondContact O-N 2.62Å |
| 482 | S | 90.6 | Very high | 90.3 | Very high | 58 Ų | 58 | 94.5 Ų | 94.5 | 41% | 0.406 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.5 | -39.9 | 174.1 | -64.6 | 0 | 0 | 0 | 0 | 112.5 | Q478 S479 E480 Q485 M486 | Q478-S482 PolarHBondContact O-N 2.86Å; Q478-S482 PolarHBondContact O-OG 2.8Å; S479-S482 PolarHBondContact O-N 3.21Å; E480-S482 VanDerWaalsContact C-N 3.33Å; E480-S482 PolarHBondContact O-N 2.85Å; S482-Q485 PolarHBondContact O-N 3.12Å; S482-M486 PolarHBondContact O-N 3.21Å |
| 483 | R | 93.4 | Very high | 90.1 | Very high | 113 Ų | 113 | 95.2 Ų | 95.2 | 43% | 0.426 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.7 | -48.1 | 174.8 | -162.9 | -172.7 | 76.4 | -123.5 | -18.4 | 111.3 | S479 E480 Q485 M486 E487 | S479-R483 PolarHBondContact O-N 3.23Å; E480-R483 PolarHBondContact O-N 3.19Å; E480-R483 IonicContact OE1-CZ 3.4Å; E480-R483 IonicContact OE1-NH1 3.24Å; E480-R483 PolarHBondContact OE1-NH1 2.66Å; E480-R483 IonicContact OE1-NH2 2.95Å; E480-R483 IonicContact OE2-CZ 2.65Å; E480-R483 IonicContact OE2-NH1 2.71Å; E480-R483 PolarHBondContact OE2-NH1 3.04Å; E480-R483 VanDerWaalsContact OE2-NH1 3.13Å; E480-R483 IonicContact OE2-NH2 3.27Å; E480-R483 PolarHBondContact OE2-NH2 3.39Å; R483-Q485 VanDerWaalsContact C-N 3.26Å; R483-Q485 PolarHBondContact O-N 2.83Å; R483-M486 PolarHBondContact O-N 2.84Å; R483-M486 VanDerWaalsContact O-N 3.14Å; R483-E487 WeakPolarHBondContact CD-OE1 3.49Å; R483-E487 WeakPolarHBondContact CG-OE1 3.48Å; R483-E487 IonicContact CZ-OE1 2.87Å; R483-E487 IonicContact NE-OE1 3.92Å; R483-E487 PolarHBondContact NE-OE1 3.15Å; R483-E487 WeakPolarHBondContact O-CG 3.49Å; R483-E487 PolarHBondContact O-N 3.22Å |
| 484 | I | 90.1 | Very high | 89.7 | Confident | 71 Ų | 71 | 97.4 Ų | 97.4 | 36% | 0.364 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.7 | -33.9 | 178.5 | -68.1 | 167.4 | 0 | 0 | 0 | 111.2 | E480 N488 | E480-I484 WeakPolarHBondContact O-CB 3.14Å; E480-I484 VanDerWaalsContact O-CG1 3.31Å; E480-I484 WeakPolarHBondContact O-CG1 3.27Å; E480-I484 PolarHBondContact O-N 2.68Å; I484-N488 WeakPolarHBondContact O-CB 3.3Å; I484-N488 PolarHBondContact O-N 3.16Å; I484-N488 PolarHBondContact O-ND2 3.34Å |
| 485 | Q | 90.1 | Very high | 89.3 | Confident | 102 Ų | 102 | 94 Ų | 94 | 48% | 0.477 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65 | -46.7 | 172.5 | -78 | 175.2 | -5 | 0 | 0 | 112 | M481 S482 R483 N488 E489 | M481-Q485 WeakPolarHBondContact O-CB 3.17Å; M481-Q485 VanDerWaalsContact O-CG 3.29Å; M481-Q485 WeakPolarHBondContact O-CG 3.27Å; M481-Q485 PolarHBondContact O-N 2.62Å; S482-Q485 PolarHBondContact O-N 3.12Å; R483-Q485 VanDerWaalsContact C-N 3.26Å; R483-Q485 PolarHBondContact O-N 2.83Å; Q485-N488 PolarHBondContact O-N 3.36Å; Q485-E489 PolarHBondContact O-N 3.15Å |
| 486 | M | 91.1 | Very high | 89.1 | Confident | 139 Ų | 139 | 93.5 Ų | 93.5 | 69% | 0.685 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -62.4 | -42.8 | 175.9 | -70.1 | -179.4 | 72.1 | 0 | 0 | 112.4 | S482 R483 N488 E489 A490 | S482-M486 PolarHBondContact O-N 3.21Å; R483-M486 PolarHBondContact O-N 2.84Å; R483-M486 VanDerWaalsContact O-N 3.14Å; M486-N488 VanDerWaalsContact C-N 3.32Å; M486-N488 PolarHBondContact O-N 3.01Å; M486-E489 PolarHBondContact O-N 3.41Å; M486-E489 VanDerWaalsContact O-N 3.16Å; M486-A490 PolarHBondContact O-N 2.81Å |
| 487 | E | 87.7 | Confident | 88.8 | Confident | 99 Ų | 99 | 97.5 Ų | 97.5 | 46% | 0.463 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.4 | -40.7 | 174.6 | -72.2 | 169.5 | -166.5 | 0 | 0 | 111.5 | R483 E489 A491 | R483-E487 WeakPolarHBondContact CD-OE1 3.49Å; R483-E487 WeakPolarHBondContact CG-OE1 3.48Å; R483-E487 IonicContact CZ-OE1 2.87Å; R483-E487 IonicContact NE-OE1 3.92Å; R483-E487 PolarHBondContact NE-OE1 3.15Å; R483-E487 WeakPolarHBondContact O-CG 3.49Å; R483-E487 PolarHBondContact O-N 3.22Å; E487-E489 VanDerWaalsContact C-N 3.33Å; E487-E489 PolarHBondContact O-N 3.18Å; E487-A491 VanDerWaalsContact O-CB 3.31Å; E487-A491 WeakPolarHBondContact O-CB 3.43Å; E487-A491 PolarHBondContact O-N 3.08Å |
| 488 | N | 88.7 | Confident | 88.4 | Confident | 85 Ų | 85 | 96.9 Ų | 96.9 | 46% | 0.455 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -69.2 | -25.8 | 175.1 | -89.1 | -82.5 | 0 | 0 | 0 | 113.9 | I484 Q485 M486 K492 | I484-N488 WeakPolarHBondContact O-CB 3.3Å; I484-N488 PolarHBondContact O-N 3.16Å; I484-N488 PolarHBondContact O-ND2 3.34Å; Q485-N488 PolarHBondContact O-N 3.36Å; M486-N488 VanDerWaalsContact C-N 3.32Å; M486-N488 PolarHBondContact O-N 3.01Å; N488-K492 VanDerWaalsContact O-CD 3.28Å; N488-K492 WeakPolarHBondContact O-CD 3.43Å; N488-K492 WeakPolarHBondContact O-CE 3.42Å; N488-K492 WeakPolarHBondContact O-CG 3.49Å; N488-K492 PolarHBondContact O-N 3.19Å |
| 489 | E | 89.3 | Confident | 88.1 | Confident | 124 Ų | 124 | 96.5 Ų | 96.5 | 58% | 0.579 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -78.7 | -45.2 | 173.9 | -72.2 | -172.3 | 159.3 | 0 | 0 | 111.2 | Q485 M486 E487 A491 K492 D493 | Q485-E489 PolarHBondContact O-N 3.15Å; M486-E489 PolarHBondContact O-N 3.41Å; M486-E489 VanDerWaalsContact O-N 3.16Å; E487-E489 VanDerWaalsContact C-N 3.33Å; E487-E489 PolarHBondContact O-N 3.18Å; E489-A491 VanDerWaalsContact C-N 3.35Å; E489-A491 PolarHBondContact O-N 2.63Å; E489-K492 WeakPolarHBondContact O-CB 3.38Å; E489-K492 PolarHBondContact O-N 3.03Å; E489-K492 VanDerWaalsContact O-N 3.09Å; E489-D493 PolarHBondContact O-N 2.66Å; E489-D493 VanDerWaalsContact O-N 3.16Å |
| 490 | A | 86.5 | Confident | 87.6 | Confident | 53 Ų | 53 | 98.5 Ų | 98.5 | 44% | 0.438 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -56.1 | -47.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | M486 K492 D493 E494 | M486-A490 PolarHBondContact O-N 2.81Å; A490-K492 VanDerWaalsContact C-N 3.28Å; A490-K492 PolarHBondContact O-N 3.13Å; A490-D493 PolarHBondContact O-N 3.48Å; A490-D493 VanDerWaalsContact O-N 3.08Å; A490-E494 PolarHBondContact O-N 2.82Å |
| 491 | A | 87 | Confident | 87.2 | Confident | 44 Ų | 44 | 97 Ų | 97 | 36% | 0.364 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63 | -29.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | E487 E489 V495 | E487-A491 VanDerWaalsContact O-CB 3.31Å; E487-A491 WeakPolarHBondContact O-CB 3.43Å; E487-A491 PolarHBondContact O-N 3.08Å; E489-A491 VanDerWaalsContact C-N 3.35Å; E489-A491 PolarHBondContact O-N 2.63Å; A491-V495 WeakPolarHBondContact O-CB 3.33Å; A491-V495 VanDerWaalsContact O-CG2 3.25Å; A491-V495 WeakPolarHBondContact O-CG2 3.47Å; A491-V495 PolarHBondContact O-N 3.2Å |
| 492 | K | 87.9 | Confident | 86.8 | Confident | 120 Ų | 120 | 96.8 Ų | 96.8 | 52% | 0.522 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -70.7 | -34.3 | 173.7 | -75.7 | 163.5 | -164.7 | 159.9 | 0 | 112 | N488 E489 A490 V495 K496 | N488-K492 VanDerWaalsContact O-CD 3.28Å; N488-K492 WeakPolarHBondContact O-CD 3.43Å; N488-K492 WeakPolarHBondContact O-CE 3.42Å; N488-K492 WeakPolarHBondContact O-CG 3.49Å; N488-K492 PolarHBondContact O-N 3.19Å; E489-K492 WeakPolarHBondContact O-CB 3.38Å; E489-K492 PolarHBondContact O-N 3.03Å; E489-K492 VanDerWaalsContact O-N 3.09Å; A490-K492 VanDerWaalsContact C-N 3.28Å; A490-K492 PolarHBondContact O-N 3.13Å; K492-V495 PolarHBondContact O-N 3.36Å; K492-K496 WeakPolarHBondContact O-CG 3.4Å; K492-K496 PolarHBondContact O-N 2.98Å; K492-K496 VanDerWaalsContact O-N 3.09Å |
| 493 | D | 86.3 | Confident | 86.4 | Confident | 81 Ų | 81 | 100.5 Ų | 100.5 | 43% | 0.433 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -75.2 | -39.5 | 177.4 | -72.2 | -20 | 0 | 0 | 0 | 111.2 | E489 A490 V495 K496 E497 | E489-D493 PolarHBondContact O-N 2.66Å; E489-D493 VanDerWaalsContact O-N 3.16Å; A490-D493 PolarHBondContact O-N 3.48Å; A490-D493 VanDerWaalsContact O-N 3.08Å; D493-V495 VanDerWaalsContact C-N 3.3Å; D493-V495 PolarHBondContact O-N 3.44Å; D493-K496 WeakPolarHBondContact O-CB 3.49Å; D493-K496 PolarHBondContact O-N 2.89Å; D493-K496 WeakPolarHBondContact OD1-CE 3.44Å; D493-K496 IonicContact OD1-NZ 2.79Å; D493-K496 PolarHBondContact OD1-NZ 2.79Å; D493-E497 PolarHBondContact O-N 3.5Å |
| 494 | E | 84.6 | Confident | 85.9 | Confident | 129 Ų | 129 | 101.4 Ų | 101.4 | 60% | 0.603 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -55.4 | -43.5 | 167.3 | -70.2 | -177.1 | -174.9 | 0 | 0 | 111.9 | A490 K496 E497 V498 | A490-E494 PolarHBondContact O-N 2.82Å; E494-K496 VanDerWaalsContact C-N 3.33Å; E494-K496 PolarHBondContact O-N 3.04Å; E494-E497 PolarHBondContact O-N 2.95Å; E494-V498 WeakPolarHBondContact O-CG2 3.44Å; E494-V498 PolarHBondContact O-N 3.36Å |
| 495 | V | 84.2 | Confident | 85.6 | Confident | 86 Ų | 86 | 103.6 Ų | 103.6 | 52% | 0.521 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.6 | -34.2 | 176.2 | 167.4 | 0 | 0 | 0 | 0 | 112.2 | A491 K492 D493 L499 | A491-V495 WeakPolarHBondContact O-CB 3.33Å; A491-V495 VanDerWaalsContact O-CG2 3.25Å; A491-V495 WeakPolarHBondContact O-CG2 3.47Å; A491-V495 PolarHBondContact O-N 3.2Å; K492-V495 PolarHBondContact O-N 3.36Å; D493-V495 VanDerWaalsContact C-N 3.3Å; D493-V495 PolarHBondContact O-N 3.44Å; V495-L499 HydrophobicContact CG1-CD1 4.07Å; V495-L499 WeakPolarHBondContact O-CB 3.22Å; V495-L499 VanDerWaalsContact O-CG 3.24Å; V495-L499 WeakPolarHBondContact O-CG 3.46Å; V495-L499 PolarHBondContact O-N 2.93Å |
| 496 | K | 86 | Confident | 85.2 | Confident | 124 Ų | 124 | 101.1 Ų | 101.1 | 54% | 0.539 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -67.1 | -43.7 | 173 | -70.6 | 170.3 | -165.1 | 158.6 | 0 | 111.7 | K492 D493 E494 L499 Q500 | K492-K496 WeakPolarHBondContact O-CG 3.4Å; K492-K496 PolarHBondContact O-N 2.98Å; K492-K496 VanDerWaalsContact O-N 3.09Å; D493-K496 WeakPolarHBondContact O-CB 3.49Å; D493-K496 PolarHBondContact O-N 2.89Å; D493-K496 WeakPolarHBondContact OD1-CE 3.44Å; D493-K496 IonicContact OD1-NZ 2.79Å; D493-K496 PolarHBondContact OD1-NZ 2.79Å; E494-K496 VanDerWaalsContact C-N 3.33Å; E494-K496 PolarHBondContact O-N 3.04Å; K496-L499 PolarHBondContact O-N 3.22Å; K496-Q500 PolarHBondContact O-N 2.72Å |
| 497 | E | 84.6 | Confident | 85.1 | Confident | 138 Ų | 138 | 101.2 Ų | 101.2 | 65% | 0.645 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -62.2 | -43.4 | 177.2 | -70.1 | -172.5 | 174.2 | 0 | 0 | 111.3 | D493 E494 L499 Q500 A501 | D493-E497 PolarHBondContact O-N 3.5Å; E494-E497 PolarHBondContact O-N 2.95Å; E497-L499 VanDerWaalsContact C-N 3.33Å; E497-L499 PolarHBondContact O-N 3.43Å; E497-Q500 PolarHBondContact O-N 3.18Å; E497-A501 WeakPolarHBondContact O-CB 3.35Å; E497-A501 PolarHBondContact O-N 3.36Å |
| 498 | V | 83.5 | Confident | 84.9 | Confident | 88 Ų | 88 | 100.8 Ų | 100.8 | 53% | 0.533 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.5 | -39.4 | 174.4 | 171.9 | 0 | 0 | 0 | 0 | 111.6 | E494 A501 L502 | E494-V498 WeakPolarHBondContact O-CG2 3.44Å; E494-V498 PolarHBondContact O-N 3.36Å; V498-A501 PolarHBondContact O-N 3.48Å; V498-L502 HydrophobicContact CG1-CD1 4.09Å; V498-L502 WeakPolarHBondContact O-CB 3.43Å; V498-L502 VanDerWaalsContact O-CG 3.26Å; V498-L502 WeakPolarHBondContact O-CG 3.39Å; V498-L502 PolarHBondContact O-N 3.02Å |
| 499 | L | 84.8 | Confident | 84.8 | Confident | 100 Ų | 100 | 103.7 Ų | 103.7 | 52% | 0.524 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65.3 | -42.5 | 175.2 | -76.4 | 168.1 | 0 | 0 | 0 | 112.4 | V495 K496 E497 L502 E503 | V495-L499 HydrophobicContact CG1-CD1 4.07Å; V495-L499 WeakPolarHBondContact O-CB 3.22Å; V495-L499 VanDerWaalsContact O-CG 3.24Å; V495-L499 WeakPolarHBondContact O-CG 3.46Å; V495-L499 PolarHBondContact O-N 2.93Å; K496-L499 PolarHBondContact O-N 3.22Å; E497-L499 VanDerWaalsContact C-N 3.33Å; E497-L499 PolarHBondContact O-N 3.43Å; L499-L502 PolarHBondContact O-N 3.45Å; L499-E503 PolarHBondContact O-N 2.96Å |
| 500 | Q | 82.2 | Confident | 84.7 | Confident | 125 Ų | 125 | 102.1 Ų | 102.1 | 58% | 0.584 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -63.2 | -43.9 | 174.6 | -75.4 | -175.5 | -36.2 | 0 | 0 | 111.9 | K496 E497 L502 E503 E504 | K496-Q500 PolarHBondContact O-N 2.72Å; E497-Q500 PolarHBondContact O-N 3.18Å; Q500-L502 VanDerWaalsContact C-N 3.26Å; Q500-L502 PolarHBondContact O-N 2.88Å; Q500-E503 PolarHBondContact O-N 3Å; Q500-E503 VanDerWaalsContact O-N 3.12Å; Q500-E504 PolarHBondContact O-N 2.93Å |
| 501 | A | 82.6 | Confident | 84.6 | Confident | 55 Ų | 55 | 104.7 Ų | 104.7 | 46% | 0.455 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -61.8 | -33.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | E497 V498 L505 | E497-A501 WeakPolarHBondContact O-CB 3.35Å; E497-A501 PolarHBondContact O-N 3.36Å; V498-A501 PolarHBondContact O-N 3.48Å; A501-L505 VanDerWaalsContact O-CB 3.25Å; A501-L505 WeakPolarHBondContact O-CB 3.08Å; A501-L505 PolarHBondContact O-N 3.43Å |
| 502 | L | 81.9 | Confident | 84.6 | Confident | 98 Ų | 98 | 107.9 Ų | 107.9 | 51% | 0.513 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -71.5 | -36.4 | 173.2 | -74.1 | 168.8 | 0 | 0 | 0 | 112.6 | V498 L499 Q500 A506 | V498-L502 HydrophobicContact CG1-CD1 4.09Å; V498-L502 WeakPolarHBondContact O-CB 3.43Å; V498-L502 VanDerWaalsContact O-CG 3.26Å; V498-L502 WeakPolarHBondContact O-CG 3.39Å; V498-L502 PolarHBondContact O-N 3.02Å; L499-L502 PolarHBondContact O-N 3.45Å; Q500-L502 VanDerWaalsContact C-N 3.26Å; Q500-L502 PolarHBondContact O-N 2.88Å; L502-A506 WeakPolarHBondContact O-CB 3.48Å; L502-A506 PolarHBondContact O-N 2.87Å |
| 503 | E | 83 | Confident | 84.6 | Confident | 136 Ų | 136 | 104.6 Ų | 104.6 | 64% | 0.636 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -65.4 | -46 | 172.5 | -72.7 | -176 | 164 | 0 | 0 | 111.5 | L499 Q500 L505 A506 M507 | L499-E503 PolarHBondContact O-N 2.96Å; Q500-E503 PolarHBondContact O-N 3Å; Q500-E503 VanDerWaalsContact O-N 3.12Å; E503-L505 VanDerWaalsContact C-N 3.34Å; E503-L505 PolarHBondContact O-N 3.32Å; E503-A506 PolarHBondContact O-N 3.07Å; E503-M507 WeakPolarHBondContact O-CG 3.49Å; E503-M507 PolarHBondContact O-N 2.99Å |
| 504 | E | 82.3 | Confident | 84.7 | Confident | 133 Ų | 133 | 107.1 Ų | 107.1 | 62% | 0.621 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -61.8 | -38.9 | 175.4 | -71.8 | -174.5 | 178.4 | 0 | 0 | 112.8 | Q500 M507 N508 | Q500-E504 PolarHBondContact O-N 2.93Å; E504-M507 PolarHBondContact O-N 3.43Å; E504-N508 PolarHBondContact O-N 2.8Å; E504-N508 PolarHBondContact O-ND2 2.6Å |
| 505 | L | 83 | Confident | 84.8 | Confident | 116 Ų | 116 | 104.8 Ų | 104.8 | 61% | 0.607 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -67.8 | -38.4 | 175.8 | -174.3 | 64.9 | 0 | 0 | 0 | 111.6 | A501 E503 N508 Y509 | A501-L505 VanDerWaalsContact O-CB 3.25Å; A501-L505 WeakPolarHBondContact O-CB 3.08Å; A501-L505 PolarHBondContact O-N 3.43Å; E503-L505 VanDerWaalsContact C-N 3.34Å; E503-L505 PolarHBondContact O-N 3.32Å; L505-N508 PolarHBondContact O-N 3.09Å; L505-Y509 WeakPolarHBondContact O-CB 3.49Å; L505-Y509 PolarHBondContact O-N 3.32Å |
| 506 | A | 83.1 | Confident | 84.9 | Confident | 51 Ų | 51 | 105.3 Ų | 105.3 | 42% | 0.421 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.3 | -43.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | L502 E503 N508 Y509 D510 | L502-A506 WeakPolarHBondContact O-CB 3.48Å; L502-A506 PolarHBondContact O-N 2.87Å; E503-A506 PolarHBondContact O-N 3.07Å; A506-N508 PolarHBondContact O-N 3Å; A506-Y509 PolarHBondContact O-N 3.29Å; A506-D510 PolarHBondContact O-N 2.81Å |
| 507 | M | 87 | Confident | 85.1 | Confident | 141 Ų | 141 | 103.7 Ų | 103.7 | 70% | 0.695 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -62.6 | -40.9 | 174.9 | -68.1 | -176 | 76.6 | 0 | 0 | 112.1 | E503 E504 Y509 D510 Q511 | E503-M507 WeakPolarHBondContact O-CG 3.49Å; E503-M507 PolarHBondContact O-N 2.99Å; E504-M507 PolarHBondContact O-N 3.43Å; M507-Y509 VanDerWaalsContact C-N 3.35Å; M507-D510 PolarHBondContact O-N 2.74Å; M507-Q511 PolarHBondContact O-N 3.35Å |
| 508 | N | 84.3 | Confident | 85.3 | Confident | 90 Ų | 90 | 100.8 Ų | 100.8 | 48% | 0.481 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.3 | -40 | 172.5 | -93.1 | -86.6 | 0 | 0 | 0 | 112.5 | E504 L505 A506 Q511 K512 | E504-N508 PolarHBondContact O-N 2.8Å; E504-N508 PolarHBondContact O-ND2 2.6Å; L505-N508 PolarHBondContact O-N 3.09Å; A506-N508 PolarHBondContact O-N 3Å; N508-Q511 PolarHBondContact O-N 2.96Å; N508-K512 WeakPolarHBondContact O-CB 3.36Å; N508-K512 WeakPolarHBondContact O-CG 3.47Å; N508-K512 PolarHBondContact O-N 3.36Å |
| 509 | Y | 86.9 | Confident | 85.5 | Confident | 146 Ų | 146 | 102.4 Ų | 102.4 | 57% | 0.573 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -65.8 | -42.4 | 178.3 | -175.1 | -90.6 | 0 | 0 | 0 | 112.1 | L505 A506 M507 K512 T513 | L505-Y509 WeakPolarHBondContact O-CB 3.49Å; L505-Y509 PolarHBondContact O-N 3.32Å; A506-Y509 PolarHBondContact O-N 3.29Å; M507-Y509 VanDerWaalsContact C-N 3.35Å; Y509-K512 PolarHBondContact O-N 2.97Å; Y509-T513 WeakPolarHBondContact O-CB 3.3Å; Y509-T513 PolarHBondContact O-N 3.41Å; Y509-T513 PolarHBondContact O-OG1 3.39Å |
| 510 | D | 86.8 | Confident | 85.7 | Confident | 90 Ų | 90 | 100.1 Ų | 100.1 | 48% | 0.481 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.2 | -41 | 176 | -77.3 | -10.7 | 0 | 0 | 0 | 111.1 | A506 M507 T513 Q514 | A506-D510 PolarHBondContact O-N 2.81Å; M507-D510 PolarHBondContact O-N 2.74Å; D510-T513 PolarHBondContact O-N 2.69Å; D510-Q514 WeakPolarHBondContact O-CG 3.48Å; D510-Q514 PolarHBondContact O-N 2.74Å |
| 511 | Q | 84 | Confident | 86.1 | Confident | 108 Ų | 108 | 101 Ų | 101 | 51% | 0.505 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.5 | -46.6 | 172.9 | -178.1 | 177.5 | -13.6 | 0 | 0 | 111.9 | M507 N508 T513 Q514 E515 | M507-Q511 PolarHBondContact O-N 3.35Å; N508-Q511 PolarHBondContact O-N 2.96Å; Q511-T513 VanDerWaalsContact C-N 3.3Å; Q511-T513 PolarHBondContact O-N 2.91Å; Q511-Q514 PolarHBondContact O-N 3.12Å; Q511-E515 PolarHBondContact O-N 3.47Å |
| 512 | K | 87.7 | Confident | 86.4 | Confident | 110 Ų | 110 | 102.8 Ų | 102.8 | 48% | 0.478 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.3 | -31.8 | 177.9 | -74.1 | -68.7 | 170.6 | -139 | 0 | 112.9 | N508 Y509 E515 V516 | N508-K512 WeakPolarHBondContact O-CB 3.36Å; N508-K512 WeakPolarHBondContact O-CG 3.47Å; N508-K512 PolarHBondContact O-N 3.36Å; Y509-K512 PolarHBondContact O-N 2.97Å; K512-E515 IonicContact NZ-OE1 3.26Å; K512-E515 PolarHBondContact NZ-OE1 3.06Å; K512-E515 IonicContact NZ-OE2 3.91Å; K512-E515 PolarHBondContact NZ-OE2 2.86Å; K512-E515 PolarHBondContact O-N 2.87Å; K512-V516 VanDerWaalsContact O-CG2 3.32Å; K512-V516 WeakPolarHBondContact O-CG2 3.5Å; K512-V516 PolarHBondContact O-N 3.15Å |
| 513 | T | 88.8 | Confident | 86.4 | Confident | 51 Ų | 51 | 103.4 Ų | 103.4 | 31% | 0.313 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.9 | -44.1 | 172.3 | -57.7 | 0 | 0 | 0 | 0 | 110.8 | Y509 D510 Q511 V516 D517 | Y509-T513 WeakPolarHBondContact O-CB 3.3Å; Y509-T513 PolarHBondContact O-N 3.41Å; Y509-T513 PolarHBondContact O-OG1 3.39Å; D510-T513 PolarHBondContact O-N 2.69Å; Q511-T513 VanDerWaalsContact C-N 3.3Å; Q511-T513 PolarHBondContact O-N 2.91Å; T513-V516 PolarHBondContact O-N 2.88Å; T513-D517 PolarHBondContact O-N 3.33Å |
| 514 | Q | 88.3 | Confident | 86.7 | Confident | 134 Ų | 134 | 102.4 Ų | 102.4 | 63% | 0.626 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.2 | -40 | 174.9 | -68.6 | 177.9 | 16.3 | 0 | 0 | 112.9 | D510 Q511 V516 D517 V518 | D510-Q514 WeakPolarHBondContact O-CG 3.48Å; D510-Q514 PolarHBondContact O-N 2.74Å; Q511-Q514 PolarHBondContact O-N 3.12Å; Q514-V516 VanDerWaalsContact C-N 3.35Å; Q514-D517 PolarHBondContact O-N 3.23Å; Q514-V518 WeakPolarHBondContact O-CG2 3.49Å; Q514-V518 PolarHBondContact O-N 2.93Å |
| 515 | E | 84.9 | Confident | 87 | Confident | 80 Ų | 80 | 98 Ų | 98 | 37% | 0.374 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.4 | -41.8 | 173.8 | -73.2 | 177.8 | -150.3 | 0 | 0 | 112 | Q511 K512 V518 K519 | Q511-E515 PolarHBondContact O-N 3.47Å; K512-E515 IonicContact NZ-OE1 3.26Å; K512-E515 PolarHBondContact NZ-OE1 3.06Å; K512-E515 IonicContact NZ-OE2 3.91Å; K512-E515 PolarHBondContact NZ-OE2 2.86Å; K512-E515 PolarHBondContact O-N 2.87Å; E515-V518 PolarHBondContact O-N 3.49Å; E515-K519 WeakPolarHBondContact O-CB 3.33Å; E515-K519 WeakPolarHBondContact O-CG 3.35Å; E515-K519 PolarHBondContact O-N 3.3Å |
| 516 | V | 87.1 | Confident | 87.2 | Confident | 98 Ų | 98 | 97.6 Ų | 97.6 | 59% | 0.594 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64.8 | -42 | 175.6 | 168.9 | 0 | 0 | 0 | 0 | 111.4 | K512 T513 Q514 V518 K519 S520 | K512-V516 VanDerWaalsContact O-CG2 3.32Å; K512-V516 WeakPolarHBondContact O-CG2 3.5Å; K512-V516 PolarHBondContact O-N 3.15Å; T513-V516 PolarHBondContact O-N 2.88Å; Q514-V516 VanDerWaalsContact C-N 3.35Å; V516-V518 VanDerWaalsContact C-N 3.33Å; V516-V518 PolarHBondContact O-N 3.08Å; V516-K519 PolarHBondContact O-N 3.34Å; V516-S520 WeakPolarHBondContact O-CB 3.14Å; V516-S520 PolarHBondContact O-N 3.09Å |
| 517 | D | 89.8 | Confident | 87.3 | Confident | 89 Ų | 89 | 97.5 Ų | 97.5 | 48% | 0.476 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.7 | -37.1 | 176.7 | -75 | -13.7 | 0 | 0 | 0 | 112.3 | T513 Q514 K521 | T513-D517 PolarHBondContact O-N 3.33Å; Q514-D517 PolarHBondContact O-N 3.23Å; D517-K521 WeakPolarHBondContact O-CG 3.45Å; D517-K521 PolarHBondContact O-N 3.29Å |
| 518 | V | 88.8 | Confident | 87.5 | Confident | 78 Ų | 78 | 95.5 Ų | 95.5 | 47% | 0.473 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.3 | -46.7 | 173 | 171.6 | 0 | 0 | 0 | 0 | 110.6 | Q514 E515 V516 S520 K521 E522 | Q514-V518 WeakPolarHBondContact O-CG2 3.49Å; Q514-V518 PolarHBondContact O-N 2.93Å; E515-V518 PolarHBondContact O-N 3.49Å; V516-V518 VanDerWaalsContact C-N 3.33Å; V516-V518 PolarHBondContact O-N 3.08Å; V518-S520 VanDerWaalsContact C-N 3.33Å; V518-S520 PolarHBondContact O-N 3.48Å; V518-K521 PolarHBondContact O-N 2.96Å; V518-E522 PolarHBondContact O-N 3.35Å |
| 519 | K | 88.1 | Confident | 87.7 | Confident | 121 Ų | 121 | 95.3 Ų | 95.3 | 53% | 0.526 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66 | -32.2 | 178.5 | -70.3 | -72.3 | 160.7 | -155.6 | 0 | 113.2 | E515 V516 E522 N523 | E515-K519 WeakPolarHBondContact O-CB 3.33Å; E515-K519 WeakPolarHBondContact O-CG 3.35Å; E515-K519 PolarHBondContact O-N 3.3Å; V516-K519 PolarHBondContact O-N 3.34Å; K519-E522 WeakPolarHBondContact CD-OE2 3.48Å; K519-E522 WeakPolarHBondContact CE-OE2 3.42Å; K519-E522 IonicContact NZ-OE1 3.87Å; K519-E522 PolarHBondContact NZ-OE1 3.35Å; K519-E522 IonicContact NZ-OE2 3.6Å; K519-E522 PolarHBondContact NZ-OE2 2.8Å; K519-E522 PolarHBondContact O-N 3.36Å; K519-N523 WeakPolarHBondContact O-CB 3.39Å; K519-N523 PolarHBondContact O-N 3.2Å |
| 520 | S | 88.5 | Confident | 87.7 | Confident | 53 Ų | 53 | 93.4 Ų | 93.4 | 37% | 0.371 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.3 | -46.1 | 172.4 | -164.1 | 0 | 0 | 0 | 0 | 111 | V516 V518 E522 N523 E524 | V516-S520 WeakPolarHBondContact O-CB 3.14Å; V516-S520 PolarHBondContact O-N 3.09Å; V518-S520 VanDerWaalsContact C-N 3.33Å; V518-S520 PolarHBondContact O-N 3.48Å; S520-E522 PolarHBondContact O-N 2.59Å; S520-N523 PolarHBondContact O-N 3.03Å; S520-E524 WeakPolarHBondContact O-CG 3.44Å; S520-E524 PolarHBondContact O-N 3.2Å; S520-E524 PolarHBondContact OG-OE1 3.17Å |
| 521 | K | 91 | Very high | 87.8 | Confident | 143 Ų | 143 | 93.5 Ų | 93.5 | 62% | 0.622 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -65.7 | -37 | 177.4 | -70 | 171.3 | -176.4 | 173.4 | 0 | 113.1 | D517 V518 G525 | D517-K521 WeakPolarHBondContact O-CG 3.45Å; D517-K521 PolarHBondContact O-N 3.29Å; V518-K521 PolarHBondContact O-N 2.96Å; K521-G525 PolarHBondContact O-N 3.46Å |
| 522 | E | 88.9 | Confident | 88.2 | Confident | 93 Ų | 93 | 94.6 Ų | 94.6 | 44% | 0.435 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63 | -44.3 | 171.9 | -71.7 | 176.7 | -169.7 | 0 | 0 | 111.4 | V518 K519 S520 G525 L526 | V518-E522 PolarHBondContact O-N 3.35Å; K519-E522 WeakPolarHBondContact CD-OE2 3.48Å; K519-E522 WeakPolarHBondContact CE-OE2 3.42Å; K519-E522 IonicContact NZ-OE1 3.87Å; K519-E522 PolarHBondContact NZ-OE1 3.35Å; K519-E522 IonicContact NZ-OE2 3.6Å; K519-E522 PolarHBondContact NZ-OE2 2.8Å; K519-E522 PolarHBondContact O-N 3.36Å; S520-E522 PolarHBondContact O-N 2.59Å; E522-G525 PolarHBondContact O-N 3.29Å; E522-L526 WeakPolarHBondContact O-CG 3.45Å; E522-L526 PolarHBondContact O-N 3.37Å |
| 523 | N | 82.1 | Confident | 88.2 | Confident | 111 Ų | 111 | 96.5 Ų | 96.5 | 59% | 0.594 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -65.3 | -39.4 | 176.1 | -91.1 | -4.4 | 0 | 0 | 0 | 113 | K519 S520 L526 A527 | K519-N523 WeakPolarHBondContact O-CB 3.39Å; K519-N523 PolarHBondContact O-N 3.2Å; S520-N523 PolarHBondContact O-N 3.03Å; N523-L526 PolarHBondContact O-N 3.37Å; N523-A527 WeakPolarHBondContact O-CB 3.5Å; N523-A527 PolarHBondContact O-N 2.82Å |
| 524 | E | 89.2 | Confident | 88.3 | Confident | 114 Ų | 114 | 98.1 Ų | 98.1 | 53% | 0.533 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.9 | -45.7 | 172.9 | -75.3 | 162.7 | -157.4 | 0 | 0 | 110.6 | S520 L526 A527 D528 | S520-E524 WeakPolarHBondContact O-CG 3.44Å; S520-E524 PolarHBondContact O-N 3.2Å; S520-E524 PolarHBondContact OG-OE1 3.17Å; E524-L526 PolarHBondContact O-N 3.48Å; E524-A527 PolarHBondContact O-N 3.17Å; E524-D528 PolarHBondContact O-N 3.06Å |
| 525 | G | 88 | Confident | 88.4 | Confident | 41 Ų | 41 | 94.5 Ų | 94.5 | 42% | 0.423 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.7 | -39.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | K521 E522 E529 | K521-G525 PolarHBondContact O-N 3.46Å; E522-G525 PolarHBondContact O-N 3.29Å; G525-E529 PolarHBondContact O-N 3.38Å |
| 526 | L | 87 | Confident | 88.6 | Confident | 107 Ų | 107 | 95.8 Ų | 95.8 | 56% | 0.56 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -70 | -35.4 | 175 | -71.9 | 171.9 | 0 | 0 | 0 | 112.6 | E522 N523 E524 E529 L530 | E522-L526 WeakPolarHBondContact O-CG 3.45Å; E522-L526 PolarHBondContact O-N 3.37Å; N523-L526 PolarHBondContact O-N 3.37Å; E524-L526 PolarHBondContact O-N 3.48Å; L526-E529 PolarHBondContact O-N 2.88Å; L526-L530 WeakPolarHBondContact O-CB 3.36Å; L526-L530 PolarHBondContact O-N 3.15Å |
| 527 | A | 86.3 | Confident | 88.7 | Confident | 49 Ų | 49 | 95.9 Ų | 95.9 | 41% | 0.405 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -67.6 | -39 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | N523 E524 L530 T531 | N523-A527 WeakPolarHBondContact O-CB 3.5Å; N523-A527 PolarHBondContact O-N 2.82Å; E524-A527 PolarHBondContact O-N 3.17Å; A527-L530 PolarHBondContact O-N 2.77Å; A527-T531 WeakPolarHBondContact O-CB 3.36Å; A527-T531 PolarHBondContact O-N 3.03Å; A527-T531 PolarHBondContact O-OG1 3.11Å |
| 528 | D | 90.9 | Very high | 88.6 | Confident | 99 Ų | 99 | 96.4 Ų | 96.4 | 53% | 0.529 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63 | -41.8 | 171.3 | -89.1 | 0.5 | 0 | 0 | 0 | 112 | E524 T531 K532 | E524-D528 PolarHBondContact O-N 3.06Å; D528-T531 PolarHBondContact O-N 3.27Å; D528-K532 WeakPolarHBondContact O-CD 3.45Å; D528-K532 VanDerWaalsContact O-CG 3.3Å; D528-K532 WeakPolarHBondContact O-CG 3.36Å; D528-K532 PolarHBondContact O-N 3.42Å; D528-K532 VanDerWaalsContact O-N 3.08Å |
| 529 | E | 88.7 | Confident | 88.6 | Confident | 87 Ų | 87 | 98.5 Ų | 98.5 | 41% | 0.407 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.6 | -45.1 | 174.4 | -169.7 | 173.8 | 175.1 | 0 | 0 | 111.4 | G525 L526 T531 K532 R533 | G525-E529 PolarHBondContact O-N 3.38Å; L526-E529 PolarHBondContact O-N 2.88Å; E529-T531 VanDerWaalsContact C-N 3.27Å; E529-T531 PolarHBondContact O-N 2.73Å; E529-K532 WeakPolarHBondContact O-CB 3.32Å; E529-K532 PolarHBondContact O-N 2.96Å; E529-K532 VanDerWaalsContact O-N 3.11Å; E529-R533 HydrophobicContact CG-CG 4.27Å; E529-R533 VanDerWaalsContact O-CG 3.32Å; E529-R533 WeakPolarHBondContact O-CG 3.44Å; E529-R533 PolarHBondContact O-N 3.06Å; E529-R533 IonicContact OE1-CZ 3.7Å; E529-R533 IonicContact OE1-NE 2.93Å; E529-R533 PolarHBondContact OE1-NE 3.03Å; E529-R533 IonicContact OE1-NH2 3.8Å; E529-R533 PolarHBondContact OE1-NH2 3.46Å |
| 530 | L | 87.6 | Confident | 88.5 | Confident | 106 Ų | 106 | 96.8 Ų | 96.8 | 56% | 0.555 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -56.8 | -42 | 175.8 | 180 | 62.9 | 0 | 0 | 0 | 111.5 | L526 A527 R533 L534 | L526-L530 WeakPolarHBondContact O-CB 3.36Å; L526-L530 PolarHBondContact O-N 3.15Å; A527-L530 PolarHBondContact O-N 2.77Å; L530-R533 PolarHBondContact O-N 3.35Å; L530-L534 HydrophobicContact CD1-CD1 4.46Å; L530-L534 HydrophobicContact CD1-CG 4.42Å; L530-L534 HydrophobicContact CG-CD1 4.17Å; L530-L534 WeakPolarHBondContact O-CB 3.46Å; L530-L534 WeakPolarHBondContact O-CG 3.4Å; L530-L534 PolarHBondContact O-N 3.2Å |
| 531 | T | 89.1 | Confident | 88.4 | Confident | 91 Ų | 91 | 100 Ų | 100 | 56% | 0.558 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.8 | -41.4 | 177.2 | -56.4 | 0 | 0 | 0 | 0 | 111.6 | A527 D528 E529 L534 A535 | A527-T531 WeakPolarHBondContact O-CB 3.36Å; A527-T531 PolarHBondContact O-N 3.03Å; A527-T531 PolarHBondContact O-OG1 3.11Å; D528-T531 PolarHBondContact O-N 3.27Å; E529-T531 VanDerWaalsContact C-N 3.27Å; E529-T531 PolarHBondContact O-N 2.73Å; T531-L534 PolarHBondContact O-N 3.36Å; T531-A535 PolarHBondContact O-N 3.3Å |
| 532 | K | 91.3 | Very high | 88.2 | Confident | 132 Ų | 132 | 96.1 Ų | 96.1 | 57% | 0.574 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.3 | -43 | 172.6 | -68.9 | 162.4 | -169.5 | 161.6 | 0 | 111.9 | D528 E529 A535 M536 | D528-K532 WeakPolarHBondContact O-CD 3.45Å; D528-K532 VanDerWaalsContact O-CG 3.3Å; D528-K532 WeakPolarHBondContact O-CG 3.36Å; D528-K532 PolarHBondContact O-N 3.42Å; D528-K532 VanDerWaalsContact O-N 3.08Å; E529-K532 WeakPolarHBondContact O-CB 3.32Å; E529-K532 PolarHBondContact O-N 2.96Å; E529-K532 VanDerWaalsContact O-N 3.11Å; K532-A535 PolarHBondContact O-N 3.44Å; K532-M536 WeakPolarHBondContact O-CG 3.48Å; K532-M536 PolarHBondContact O-N 2.97Å |
| 533 | R | 88.4 | Confident | 88.1 | Confident | 149 Ų | 149 | 96.5 Ų | 96.5 | 56% | 0.562 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.9 | -37.9 | 177.3 | -63.3 | -64.3 | -177.7 | 147.8 | 4.8 | 112.1 | E529 L530 M536 L537 | E529-R533 HydrophobicContact CG-CG 4.27Å; E529-R533 VanDerWaalsContact O-CG 3.32Å; E529-R533 WeakPolarHBondContact O-CG 3.44Å; E529-R533 PolarHBondContact O-N 3.06Å; E529-R533 IonicContact OE1-CZ 3.7Å; E529-R533 IonicContact OE1-NE 2.93Å; E529-R533 PolarHBondContact OE1-NE 3.03Å; E529-R533 IonicContact OE1-NH2 3.8Å; E529-R533 PolarHBondContact OE1-NH2 3.46Å; L530-R533 PolarHBondContact O-N 3.35Å; R533-M536 PolarHBondContact O-N 3.41Å; R533-L537 WeakPolarHBondContact O-CB 3.33Å; R533-L537 PolarHBondContact O-N 2.86Å |
| 534 | L | 90 | Very high | 88.1 | Confident | 85 Ų | 85 | 95.3 Ų | 95.3 | 45% | 0.445 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67.5 | -38 | 174.3 | -73.7 | 170.8 | 0 | 0 | 0 | 112.1 | L530 T531 L537 N538 | L530-L534 HydrophobicContact CD1-CD1 4.46Å; L530-L534 HydrophobicContact CD1-CG 4.42Å; L530-L534 HydrophobicContact CG-CD1 4.17Å; L530-L534 WeakPolarHBondContact O-CB 3.46Å; L530-L534 WeakPolarHBondContact O-CG 3.4Å; L530-L534 PolarHBondContact O-N 3.2Å; T531-L534 PolarHBondContact O-N 3.36Å; L534-L537 HydrophobicContact CD2-CD2 4.47Å; L534-L537 PolarHBondContact O-N 3.3Å; L534-N538 VanDerWaalsContact O-CG 3.28Å; L534-N538 PolarHBondContact O-N 2.78Å; L534-N538 PolarHBondContact O-ND2 2.98Å |
| 535 | A | 89.7 | Confident | 87.8 | Confident | 59 Ų | 59 | 94.2 Ų | 94.2 | 49% | 0.488 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.3 | -47.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | T531 K532 L537 N538 E539 | T531-A535 PolarHBondContact O-N 3.3Å; K532-A535 PolarHBondContact O-N 3.44Å; A535-L537 VanDerWaalsContact C-N 3.34Å; A535-L537 PolarHBondContact O-N 2.91Å; A535-N538 PolarHBondContact O-N 2.61Å; A535-E539 PolarHBondContact O-N 2.89Å |
| 536 | M | 89.8 | Confident | 87.4 | Confident | 107 Ų | 107 | 98.3 Ų | 98.3 | 53% | 0.527 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.8 | -38.2 | 174.6 | -66.3 | 176.5 | 74.8 | 0 | 0 | 112.7 | K532 R533 E539 V540 | K532-M536 WeakPolarHBondContact O-CG 3.48Å; K532-M536 PolarHBondContact O-N 2.97Å; R533-M536 PolarHBondContact O-N 3.41Å; M536-E539 PolarHBondContact O-N 2.62Å; M536-V540 WeakPolarHBondContact O-CG2 3.39Å; M536-V540 PolarHBondContact O-N 2.68Å |
| 537 | L | 89 | Confident | 86.9 | Confident | 99 Ų | 99 | 98.1 Ų | 98.1 | 52% | 0.518 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.8 | -43.8 | 176.1 | -171.4 | 83 | 0 | 0 | 0 | 111.2 | R533 L534 A535 E539 V540 Q541 | R533-L537 WeakPolarHBondContact O-CB 3.33Å; R533-L537 PolarHBondContact O-N 2.86Å; L534-L537 HydrophobicContact CD2-CD2 4.47Å; L534-L537 PolarHBondContact O-N 3.3Å; A535-L537 VanDerWaalsContact C-N 3.34Å; A535-L537 PolarHBondContact O-N 2.91Å; L537-E539 VanDerWaalsContact C-N 3.34Å; L537-V540 PolarHBondContact O-N 3.48Å; L537-Q541 VanDerWaalsContact O-CB 3.23Å; L537-Q541 WeakPolarHBondContact O-CB 3.31Å; L537-Q541 PolarHBondContact O-N 2.87Å |
| 538 | N | 88.6 | Confident | 86.5 | Confident | 100 Ų | 100 | 101.4 Ų | 101.4 | 54% | 0.535 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.1 | -36.6 | 177.9 | -71.9 | -30.1 | 0 | 0 | 0 | 112.1 | L534 A535 Q541 S542 | L534-N538 VanDerWaalsContact O-CG 3.28Å; L534-N538 PolarHBondContact O-N 2.78Å; L534-N538 PolarHBondContact O-ND2 2.98Å; A535-N538 PolarHBondContact O-N 2.61Å; N538-Q541 PolarHBondContact O-N 2.88Å; N538-S542 WeakPolarHBondContact O-CB 3.44Å; N538-S542 PolarHBondContact O-N 2.71Å |
| 539 | E | 89.3 | Confident | 85.9 | Confident | 123 Ų | 123 | 102 Ų | 102 | 58% | 0.575 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62 | -54.6 | 172.9 | -172.2 | 169 | -148.4 | 0 | 0 | 110.7 | A535 M536 L537 Q541 S542 E543 | A535-E539 PolarHBondContact O-N 2.89Å; M536-E539 PolarHBondContact O-N 2.62Å; L537-E539 VanDerWaalsContact C-N 3.34Å; E539-Q541 VanDerWaalsContact C-N 3.27Å; E539-Q541 PolarHBondContact O-N 3.07Å; E539-S542 WeakPolarHBondContact O-CA 3.49Å; E539-S542 WeakPolarHBondContact O-CB 3.45Å; E539-S542 PolarHBondContact O-N 3.41Å; E539-E543 PolarHBondContact O-N 3.35Å |
| 540 | V | 85.7 | Confident | 85.1 | Confident | 85 Ų | 85 | 99.1 Ų | 99.1 | 52% | 0.515 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.4 | -34.1 | 175.9 | 172.6 | 0 | 0 | 0 | 0 | 112.4 | M536 L537 L544 | M536-V540 WeakPolarHBondContact O-CG2 3.39Å; M536-V540 PolarHBondContact O-N 2.68Å; L537-V540 PolarHBondContact O-N 3.48Å; V540-L544 VanDerWaalsContact O-CB 3.25Å; V540-L544 WeakPolarHBondContact O-CB 3.43Å; V540-L544 PolarHBondContact O-N 2.84Å |
| 541 | Q | 86.7 | Confident | 84.6 | Confident | 120 Ų | 120 | 97.4 Ų | 97.4 | 56% | 0.561 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -71.1 | -34 | 175.5 | -175.5 | 170.6 | -20.5 | 0 | 0 | 112 | L537 N538 E539 Q545 | L537-Q541 VanDerWaalsContact O-CB 3.23Å; L537-Q541 WeakPolarHBondContact O-CB 3.31Å; L537-Q541 PolarHBondContact O-N 2.87Å; N538-Q541 PolarHBondContact O-N 2.88Å; E539-Q541 VanDerWaalsContact C-N 3.27Å; E539-Q541 PolarHBondContact O-N 3.07Å; Q541-Q545 WeakPolarHBondContact O-CB 3.5Å; Q541-Q545 PolarHBondContact O-N 2.92Å |
| 542 | S | 86.4 | Confident | 83.9 | Confident | 61 Ų | 61 | 95.7 Ų | 95.7 | 43% | 0.427 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -67.4 | -46.2 | 171.5 | -166.1 | 0 | 0 | 0 | 0 | 111.2 | N538 E539 L544 Q545 Q546 | N538-S542 WeakPolarHBondContact O-CB 3.44Å; N538-S542 PolarHBondContact O-N 2.71Å; E539-S542 WeakPolarHBondContact O-CA 3.49Å; E539-S542 WeakPolarHBondContact O-CB 3.45Å; E539-S542 PolarHBondContact O-N 3.41Å; S542-L544 PolarHBondContact O-N 2.97Å; S542-Q545 PolarHBondContact O-N 3.41Å; S542-Q546 WeakPolarHBondContact O-CG 3.47Å; S542-Q546 PolarHBondContact O-N 3.04Å; S542-Q546 PolarHBondContact OG-NE2 3.01Å |
| 543 | E | 86 | Confident | 83.1 | Confident | 102 Ų | 102 | 93.9 Ų | 93.9 | 48% | 0.477 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -57.6 | -47.1 | 173.5 | -68.7 | -178.5 | 162.4 | 0 | 0 | 111.5 | E539 Q545 Q546 I547 | E539-E543 PolarHBondContact O-N 3.35Å; E543-Q545 VanDerWaalsContact C-N 3.29Å; E543-Q545 PolarHBondContact O-N 2.95Å; E543-Q546 PolarHBondContact O-N 2.94Å; E543-I547 WeakPolarHBondContact O-CB 3.49Å; E543-I547 VanDerWaalsContact O-CG1 3.25Å; E543-I547 WeakPolarHBondContact O-CG1 3.33Å; E543-I547 PolarHBondContact O-N 3.28Å |
| 544 | L | 83 | Confident | 82.2 | Confident | 85 Ų | 85 | 89.9 Ų | 89.9 | 45% | 0.445 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.9 | -37.6 | 177.2 | -178.9 | 64.9 | 0 | 0 | 0 | 112.1 | V540 S542 K548 | V540-L544 VanDerWaalsContact O-CB 3.25Å; V540-L544 WeakPolarHBondContact O-CB 3.43Å; V540-L544 PolarHBondContact O-N 2.84Å; S542-L544 PolarHBondContact O-N 2.97Å; L544-K548 HydrophobicContact CG-CD 4.37Å; L544-K548 WeakPolarHBondContact O-CB 3.48Å; L544-K548 VanDerWaalsContact O-CG 3.28Å; L544-K548 WeakPolarHBondContact O-CG 3.3Å; L544-K548 PolarHBondContact O-N 3.23Å |
| 545 | Q | 82 | Confident | 81.3 | Confident | 91 Ų | 91 | 90.7 Ų | 90.7 | 43% | 0.425 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -68.8 | -44.3 | 176.7 | -174.8 | 60.7 | 22.8 | 0 | 0 | 111.4 | Q541 S542 E543 I547 K548 E549 | Q541-Q545 WeakPolarHBondContact O-CB 3.5Å; Q541-Q545 PolarHBondContact O-N 2.92Å; S542-Q545 PolarHBondContact O-N 3.41Å; E543-Q545 VanDerWaalsContact C-N 3.29Å; E543-Q545 PolarHBondContact O-N 2.95Å; Q545-I547 VanDerWaalsContact C-N 3.34Å; Q545-I547 PolarHBondContact O-N 2.92Å; Q545-K548 PolarHBondContact O-N 3.4Å; Q545-E549 PolarHBondContact NE2-OE1 3.05Å; Q545-E549 WeakPolarHBondContact O-CG 3.37Å; Q545-E549 PolarHBondContact O-N 3.24Å |
| 546 | Q | 79.9 | Confident | 80.3 | Confident | 127 Ų | 127 | 96.3 Ų | 96.3 | 59% | 0.593 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -60.1 | -43 | 173.9 | -68.6 | 174.8 | 37.8 | 0 | 0 | 111.6 | S542 E543 E549 G550 | S542-Q546 WeakPolarHBondContact O-CG 3.47Å; S542-Q546 PolarHBondContact O-N 3.04Å; S542-Q546 PolarHBondContact OG-NE2 3.01Å; E543-Q546 PolarHBondContact O-N 2.94Å; Q546-E549 PolarHBondContact O-N 3Å; Q546-G550 PolarHBondContact O-N 3.43Å |
| 547 | I | 77.1 | Confident | 79.3 | Confident | 104 Ų | 104 | 97 Ų | 97 | 53% | 0.533 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64 | -41 | 175.9 | -69.5 | 165.5 | 0 | 0 | 0 | 111.1 | E543 Q545 T551 | E543-I547 WeakPolarHBondContact O-CB 3.49Å; E543-I547 VanDerWaalsContact O-CG1 3.25Å; E543-I547 WeakPolarHBondContact O-CG1 3.33Å; E543-I547 PolarHBondContact O-N 3.28Å; Q545-I547 VanDerWaalsContact C-N 3.34Å; Q545-I547 PolarHBondContact O-N 2.92Å; I547-T551 VanDerWaalsContact O-CB 3.25Å; I547-T551 WeakPolarHBondContact O-CB 3.3Å; I547-T551 PolarHBondContact O-N 3.43Å; I547-T551 PolarHBondContact O-OG1 3.01Å |
| 548 | K | 77.9 | Confident | 78.3 | Confident | 117 Ų | 117 | 94 Ų | 94 | 51% | 0.509 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63.3 | -45.7 | 175.9 | -81.4 | 171.9 | 175.5 | 176.7 | 0 | 112.2 | L544 Q545 T551 A552 | L544-K548 HydrophobicContact CG-CD 4.37Å; L544-K548 WeakPolarHBondContact O-CB 3.48Å; L544-K548 VanDerWaalsContact O-CG 3.28Å; L544-K548 WeakPolarHBondContact O-CG 3.3Å; L544-K548 PolarHBondContact O-N 3.23Å; Q545-K548 PolarHBondContact O-N 3.4Å; K548-T551 PolarHBondContact O-N 3.44Å; K548-A552 WeakPolarHBondContact O-CB 3.41Å; K548-A552 PolarHBondContact O-N 3Å |
| 549 | E | 77 | Confident | 77.3 | Confident | 113 Ų | 113 | 94.5 Ų | 94.5 | 53% | 0.528 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -64.2 | -45.2 | 178.4 | -72.9 | 173.7 | -165 | 0 | 0 | 111.3 | Q545 Q546 A552 V553 | Q545-E549 PolarHBondContact NE2-OE1 3.05Å; Q545-E549 WeakPolarHBondContact O-CG 3.37Å; Q545-E549 PolarHBondContact O-N 3.24Å; Q546-E549 PolarHBondContact O-N 3Å; E549-A552 PolarHBondContact O-N 3.39Å; E549-V553 PolarHBondContact O-N 2.63Å |
| 550 | G | 73.4 | Confident | 76.3 | Confident | 26 Ų | 26 | 93.4 Ų | 93.4 | 27% | 0.268 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -58.9 | -47 | 172 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q546 A552 V553 H554 | Q546-G550 PolarHBondContact O-N 3.43Å; G550-A552 VanDerWaalsContact C-N 3.32Å; G550-A552 PolarHBondContact O-N 3.22Å; G550-V553 PolarHBondContact O-N 3.49Å; G550-V553 VanDerWaalsContact O-N 3.15Å; G550-H554 VanDerWaalsContact C-CD2 3.5Å; G550-H554 PolarHBondContact O-CD2 3.3Å; G550-H554 PolarHBondContact O-N 2.87Å |
| 551 | T | 76.4 | Confident | 75.4 | Confident | 70 Ų | 70 | 91.1 Ų | 91.1 | 43% | 0.429 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -61.8 | -38.1 | 179.5 | -58 | 0 | 0 | 0 | 0 | 112.1 | I547 K548 V553 H554 K555 | I547-T551 VanDerWaalsContact O-CB 3.25Å; I547-T551 WeakPolarHBondContact O-CB 3.3Å; I547-T551 PolarHBondContact O-N 3.43Å; I547-T551 PolarHBondContact O-OG1 3.01Å; K548-T551 PolarHBondContact O-N 3.44Å; T551-V553 PolarHBondContact O-N 3.25Å; T551-H554 PolarHBondContact O-N 3.22Å; T551-K555 WeakPolarHBondContact O-CB 3.49Å; T551-K555 PolarHBondContact O-N 2.79Å |
| 552 | A | 73.7 | Confident | 74.5 | Confident | 55 Ų | 55 | 87.8 Ų | 87.8 | 46% | 0.455 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -64.6 | -38.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | K548 E549 G550 R556 | K548-A552 WeakPolarHBondContact O-CB 3.41Å; K548-A552 PolarHBondContact O-N 3Å; E549-A552 PolarHBondContact O-N 3.39Å; G550-A552 VanDerWaalsContact C-N 3.32Å; G550-A552 PolarHBondContact O-N 3.22Å; A552-R556 PolarHBondContact O-N 3.18Å |
| 553 | V | 75.7 | Confident | 73.5 | Confident | 93 Ų | 93 | 88.3 Ų | 88.3 | 56% | 0.564 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -67.2 | -45.5 | 172.7 | 175.7 | 0 | 0 | 0 | 0 | 110.7 | E549 G550 T551 K555 R556 R557 | E549-V553 PolarHBondContact O-N 2.63Å; G550-V553 PolarHBondContact O-N 3.49Å; G550-V553 VanDerWaalsContact O-N 3.15Å; T551-V553 PolarHBondContact O-N 3.25Å; V553-K555 PolarHBondContact O-N 3.27Å; V553-R556 PolarHBondContact O-N 3.5Å; V553-R557 PolarHBondContact O-N 3.01Å; V553-R557 VanDerWaalsContact O-N 3.08Å |
| 554 | H | 69.6 | Low | 72.7 | Confident | 66 Ų | 66 | 86.9 Ų | 86.9 | 31% | 0.306 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -62.5 | -40.9 | 177.6 | -66.2 | -53.9 | 0 | 0 | 0 | 112.8 | G550 T551 R556 R557 I558 A593 | G550-H554 VanDerWaalsContact C-CD2 3.5Å; G550-H554 PolarHBondContact O-CD2 3.3Å; G550-H554 PolarHBondContact O-N 2.87Å; T551-H554 PolarHBondContact O-N 3.22Å; H554-R556 VanDerWaalsContact C-N 3.34Å; H554-R556 PolarHBondContact O-N 3.4Å; H554-R557 PolarHBondContact O-N 3.43Å; H554-I558 WeakPolarHBondContact O-CB 3.48Å; H554-I558 WeakPolarHBondContact O-CG1 3.49Å; H554-I558 PolarHBondContact O-N 3.45Å; H554-A593 WeakPolarHBondContact CE1-CB 3.15Å; H554-A593 WeakPolarHBondContact NE2-CB 3.41Å |
| 555 | K | 70.1 | Confident | 72.1 | Confident | 101 Ų | 101 | 84.1 Ų | 84.1 | 44% | 0.439 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -58.9 | -44.7 | 177.9 | -172.1 | 165.4 | -170.5 | 160.2 | 0 | 111.5 | T551 V553 Q559 E589 | T551-K555 WeakPolarHBondContact O-CB 3.49Å; T551-K555 PolarHBondContact O-N 2.79Å; V553-K555 PolarHBondContact O-N 3.27Å; K555-Q559 WeakPolarHBondContact O-CB 3.35Å; K555-Q559 PolarHBondContact O-N 2.95Å; K555-E589 IonicContact NZ-OE1 2.6Å |
| 556 | R | 68.9 | Low | 71.4 | Confident | 177 Ų | 177 | 81.6 Ų | 81.6 | 67% | 0.668 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -63 | -43.9 | 176.4 | -159.9 | 178.6 | -63.9 | 156.5 | 1.5 | 111.4 | A552 V553 H554 Q559 D560 | A552-R556 PolarHBondContact O-N 3.18Å; V553-R556 PolarHBondContact O-N 3.5Å; H554-R556 VanDerWaalsContact C-N 3.34Å; H554-R556 PolarHBondContact O-N 3.4Å; R556-Q559 PolarHBondContact O-N 3.34Å; R556-D560 PolarHBondContact O-N 3.1Å |
| 557 | R | 68.8 | Low | 71.1 | Confident | 121 Ų | 121 | 81.9 Ų | 81.9 | 46% | 0.457 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -66 | -44.5 | 179.5 | -158.5 | 176.9 | -171.4 | -145.6 | -9.1 | 113.1 | V553 H554 Q559 D560 M561 D597 | V553-R557 PolarHBondContact O-N 3.01Å; V553-R557 VanDerWaalsContact O-N 3.08Å; H554-R557 PolarHBondContact O-N 3.43Å; R557-Q559 VanDerWaalsContact C-N 3.33Å; R557-Q559 PolarHBondContact O-N 3.33Å; R557-D560 PolarHBondContact O-N 2.78Å; R557-M561 HydrophobicContact CG-SD 3.95Å; R557-M561 VanDerWaalsContact O-CG 3.24Å; R557-M561 WeakPolarHBondContact O-CG 3.46Å; R557-M561 PolarHBondContact O-N 3.22Å; R557-D597 IonicContact CZ-OD1 3.69Å; R557-D597 VanDerWaalsContact CZ-OD1 3.32Å; R557-D597 IonicContact CZ-OD2 2.57Å; R557-D597 IonicContact NH1-OD1 3.71Å; R557-D597 PolarHBondContact NH1-OD1 2.87Å; R557-D597 IonicContact NH1-OD2 2.81Å; R557-D597 PolarHBondContact NH1-OD2 3.17Å; R557-D597 VanDerWaalsContact NH2-CG 3.35Å; R557-D597 IonicContact NH2-OD1 3.94Å; R557-D597 PolarHBondContact NH2-OD1 3.47Å; R557-D597 IonicContact NH2-OD2 3.76Å; R557-D597 PolarHBondContact NH2-OD2 2.84Å |
| 558 | I | 67.5 | Low | 70.7 | Confident | 38 Ų | 38 | 78.7 Ų | 78.7 | 20% | 0.195 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -63.6 | -39.2 | 176.6 | -70.9 | 167.6 | 0 | 0 | 0 | 110.9 | H554 M561 L562 I596 | H554-I558 WeakPolarHBondContact O-CB 3.48Å; H554-I558 WeakPolarHBondContact O-CG1 3.49Å; H554-I558 PolarHBondContact O-N 3.45Å; I558-M561 PolarHBondContact O-N 3.11Å; I558-L562 HydrophobicContact CG2-CD1 3.69Å; I558-L562 HydrophobicContact CG2-CG 4.25Å; I558-L562 WeakPolarHBondContact O-CB 3.37Å; I558-L562 WeakPolarHBondContact O-CG 3.37Å; I558-L562 PolarHBondContact O-N 3.01Å; I558-I596 HydrophobicContact CD1-CD1 4.03Å; I558-I596 HydrophobicContact CG1-CG2 4.39Å |
| 559 | Q | 67.9 | Low | 70.4 | Confident | 109 Ų | 109 | 76.9 Ų | 76.9 | 51% | 0.509 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -62.1 | -43.2 | 177.1 | -174.7 | 173.7 | -1.3 | 0 | 0 | 112 | K555 R556 R557 S563 | K555-Q559 WeakPolarHBondContact O-CB 3.35Å; K555-Q559 PolarHBondContact O-N 2.95Å; R556-Q559 PolarHBondContact O-N 3.34Å; R557-Q559 VanDerWaalsContact C-N 3.33Å; R557-Q559 PolarHBondContact O-N 3.33Å; Q559-S563 WeakPolarHBondContact O-CB 3.47Å; Q559-S563 PolarHBondContact O-N 2.98Å; Q559-S563 VanDerWaalsContact O-N 3.09Å; Q559-S563 PolarHBondContact O-OG 3.32Å |
| 560 | D | 68.9 | Low | 70 | Confident | 100 Ų | 100 | 74 Ų | 74 | 54% | 0.535 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -65.7 | -40.2 | 174.7 | -67.5 | -24.5 | 0 | 0 | 0 | 111.9 | R556 R557 N564 | R556-D560 PolarHBondContact O-N 3.1Å; R557-D560 PolarHBondContact O-N 2.78Å; D560-N564 PolarHBondContact O-N 2.89Å; D560-N564 PolarHBondContact O-ND2 3.12Å |
| 561 | M | 67.5 | Low | 69.8 | Low | 37 Ų | 37 | 77 Ų | 77 | 18% | 0.182 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -69.9 | -42.7 | -179.5 | -70.3 | 165.1 | 65.8 | 0 | 0 | 112.6 | R557 I558 N564 I565 I596 F600 | R557-M561 HydrophobicContact CG-SD 3.95Å; R557-M561 VanDerWaalsContact O-CG 3.24Å; R557-M561 WeakPolarHBondContact O-CG 3.46Å; R557-M561 PolarHBondContact O-N 3.22Å; I558-M561 PolarHBondContact O-N 3.11Å; M561-N564 PolarHBondContact O-N 3.05Å; M561-I565 PolarHBondContact O-N 3.33Å; M561-I565 VanDerWaalsContact O-N 3.15Å; M561-I596 HydrophobicContact CE-CG2 4.19Å; M561-F600 HydrophobicContact CB-CD1 3.68Å; M561-F600 HydrophobicContact CB-CE1 3.7Å; M561-F600 HydrophobicContact CE-CB 3.4Å; M561-F600 HydrophobicContact CE-CD1 3.76Å; M561-F600 HydrophobicContact CE-CD2 4.04Å; M561-F600 HydrophobicContact CE-CE1 4.5Å; M561-F600 HydrophobicContact CE-CG 3.48Å; M561-F600 VanDerWaalsContact CE-CG 3.48Å |
| 562 | L | 66.1 | Low | 69.4 | Low | 51 Ų | 51 | 74 Ų | 74 | 27% | 0.267 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -66.8 | -37.9 | 175.6 | -76.5 | 171.1 | 0 | 0 | 0 | 112.2 | I558 N564 I565 V566 I587 F600 | I558-L562 HydrophobicContact CG2-CD1 3.69Å; I558-L562 HydrophobicContact CG2-CG 4.25Å; I558-L562 WeakPolarHBondContact O-CB 3.37Å; I558-L562 WeakPolarHBondContact O-CG 3.37Å; I558-L562 PolarHBondContact O-N 3.01Å; L562-N564 PolarHBondContact O-N 2.78Å; L562-I565 PolarHBondContact O-N 2.99Å; L562-I565 VanDerWaalsContact O-N 3.14Å; L562-V566 WeakPolarHBondContact O-CG2 3.36Å; L562-V566 PolarHBondContact O-N 3.44Å; L562-I587 HydrophobicContact CB-CD1 4.36Å; L562-I587 HydrophobicContact CD1-CD1 3.63Å; L562-I587 HydrophobicContact CD1-CG1 4.14Å; L562-I587 HydrophobicContact CD1-CG2 4.41Å; L562-F600 HydrophobicContact CD2-CE1 3.81Å; L562-F600 HydrophobicContact CD2-CZ 3.73Å; L562-F600 HydrophobicContact CG-CE1 3.94Å; L562-F600 HydrophobicContact CG-CZ 3.9Å |
| 563 | S | 66.5 | Low | 69.1 | Low | 71 Ų | 71 | 71.8 Ų | 71.8 | 50% | 0.497 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -59.1 | -32.6 | 175 | -60.4 | 0 | 0 | 0 | 0 | 112.5 | Q559 R567 | Q559-S563 WeakPolarHBondContact O-CB 3.47Å; Q559-S563 PolarHBondContact O-N 2.98Å; Q559-S563 VanDerWaalsContact O-N 3.09Å; Q559-S563 PolarHBondContact O-OG 3.32Å; S563-R567 PolarHBondContact O-N 2.87Å |
| 564 | N | 69.4 | Low | 68.6 | Low | 73 Ų | 73 | 69.9 Ų | 69.9 | 39% | 0.39 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -74.8 | -43 | 173.5 | -75 | -65.3 | 0 | 0 | 0 | 112.7 | D560 M561 L562 V566 R567 D568 | D560-N564 PolarHBondContact O-N 2.89Å; D560-N564 PolarHBondContact O-ND2 3.12Å; M561-N564 PolarHBondContact O-N 3.05Å; L562-N564 PolarHBondContact O-N 2.78Å; N564-V566 PolarHBondContact O-N 3.35Å; N564-R567 WeakPolarHBondContact O-CB 3.33Å; N564-R567 PolarHBondContact O-N 2.87Å; N564-R567 PolarHBondContact OD1-NH2 3.32Å; N564-D568 PolarHBondContact O-N 3.1Å |
| 565 | I | 69.9 | Low | 68.3 | Low | 26 Ų | 26 | 69.4 Ų | 69.4 | 13% | 0.133 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -63.3 | -40.7 | 177.5 | -75.6 | -175.4 | 0 | 0 | 0 | 112.2 | M561 L562 R567 D568 L569 F600 A603 L607 | M561-I565 PolarHBondContact O-N 3.33Å; M561-I565 VanDerWaalsContact O-N 3.15Å; L562-I565 PolarHBondContact O-N 2.99Å; L562-I565 VanDerWaalsContact O-N 3.14Å; I565-R567 VanDerWaalsContact C-N 3.29Å; I565-R567 PolarHBondContact O-N 3.43Å; I565-D568 PolarHBondContact O-N 2.9Å; I565-L569 HydrophobicContact CG2-CD1 3.8Å; I565-L569 HydrophobicContact CG2-CG 4.35Å; I565-L569 WeakPolarHBondContact O-CB 3.36Å; I565-L569 WeakPolarHBondContact O-CG 3.41Å; I565-L569 PolarHBondContact O-N 2.63Å; I565-F600 HydrophobicContact CD1-CD1 3.37Å; I565-F600 HydrophobicContact CD1-CE1 3.65Å; I565-F600 HydrophobicContact CD1-CG 4.21Å; I565-F600 HydrophobicContact CG1-CD1 4.31Å; I565-A603 HydrophobicContact CD1-CB 4.21Å; I565-L607 HydrophobicContact CB-CD1 4.5Å; I565-L607 HydrophobicContact CG1-CD1 4.28Å; I565-L607 HydrophobicContact CG2-CD1 3.87Å |
| 566 | V | 68.3 | Low | 68.1 | Low | 39 Ų | 39 | 70 Ų | 70 | 24% | 0.236 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -61.6 | -39.4 | 177.1 | 172.2 | 0 | 0 | 0 | 0 | 111 | L562 N564 L569 C570 V585 | L562-V566 WeakPolarHBondContact O-CG2 3.36Å; L562-V566 PolarHBondContact O-N 3.44Å; N564-V566 PolarHBondContact O-N 3.35Å; V566-L569 PolarHBondContact O-N 3.44Å; V566-C570 PolarHBondContact O-N 2.86Å; V566-C570 PolarHBondContact O-SG 2.95Å; V566-C570 VanDerWaalsContact O-SG 3.34Å; V566-V585 HydrophobicContact CG2-CG2 4.17Å |
| 567 | R | 71.8 | Confident | 67.6 | Low | 133 Ų | 133 | 64.7 Ų | 64.7 | 50% | 0.502 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -62.7 | -47.5 | 174.5 | 178.4 | 168.6 | 59.8 | 93.7 | -2.1 | 111.9 | S563 N564 I565 L569 C570 E571 | S563-R567 PolarHBondContact O-N 2.87Å; N564-R567 WeakPolarHBondContact O-CB 3.33Å; N564-R567 PolarHBondContact O-N 2.87Å; N564-R567 PolarHBondContact OD1-NH2 3.32Å; I565-R567 VanDerWaalsContact C-N 3.29Å; I565-R567 PolarHBondContact O-N 3.43Å; R567-L569 VanDerWaalsContact C-N 3.32Å; R567-L569 PolarHBondContact O-N 3.49Å; R567-C570 PolarHBondContact O-N 3.32Å; R567-E571 PolarHBondContact O-N 2.91Å |
| 568 | D | 70.2 | Confident | 66.7 | Low | 36 Ų | 36 | 60.6 Ų | 60.6 | 19% | 0.193 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -62.7 | -37.8 | 177.5 | -68.7 | -15.7 | 0 | 0 | 0 | 112 | N564 I565 E571 V572 | N564-D568 PolarHBondContact O-N 3.1Å; I565-D568 PolarHBondContact O-N 2.9Å; D568-E571 PolarHBondContact O-N 2.64Å; D568-V572 WeakPolarHBondContact O-CG2 3.46Å; D568-V572 PolarHBondContact O-N 2.76Å; D568-V572 VanDerWaalsContact O-N 3.1Å |
| 569 | L | 70.3 | Confident | 65.6 | Low | 80 Ų | 80 | 67 Ų | 67 | 42% | 0.419 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -64.8 | -42.3 | 175.2 | -80.9 | 167 | 0 | 0 | 0 | 112.8 | I565 V566 R567 E571 V572 G573 L607 | I565-L569 HydrophobicContact CG2-CD1 3.8Å; I565-L569 HydrophobicContact CG2-CG 4.35Å; I565-L569 WeakPolarHBondContact O-CB 3.36Å; I565-L569 WeakPolarHBondContact O-CG 3.41Å; I565-L569 PolarHBondContact O-N 2.63Å; V566-L569 PolarHBondContact O-N 3.44Å; R567-L569 VanDerWaalsContact C-N 3.32Å; R567-L569 PolarHBondContact O-N 3.49Å; L569-E571 VanDerWaalsContact C-N 3.3Å; L569-E571 PolarHBondContact O-N 3.02Å; L569-V572 PolarHBondContact O-N 2.85Å; L569-G573 PolarHBondContact O-N 3.22Å; L569-L607 HydrophobicContact CD2-CD2 3.52Å; L569-L607 HydrophobicContact CG-CD2 3.9Å |
| 570 | C | 68.6 | Low | 64.5 | Low | 51 Ų | 51 | 66.3 Ų | 66.3 | 35% | 0.345 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -61 | -39.2 | 174.5 | -71.7 | 0 | 0 | 0 | 0 | 111.8 | V566 R567 G573 G574 | V566-C570 PolarHBondContact O-N 2.86Å; V566-C570 PolarHBondContact O-SG 2.95Å; V566-C570 VanDerWaalsContact O-SG 3.34Å; R567-C570 PolarHBondContact O-N 3.32Å; C570-G573 PolarHBondContact O-N 3.47Å; C570-G574 PolarHBondContact O-N 3.42Å |
| 571 | E | 70.5 | Confident | 63.3 | Low | 91 Ų | 91 | 65.8 Ų | 65.8 | 43% | 0.425 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -65.2 | -36 | 174.3 | -68.7 | -174.4 | -159.8 | 0 | 0 | 112.9 | R567 D568 L569 I575 K611 | R567-E571 PolarHBondContact O-N 2.91Å; D568-E571 PolarHBondContact O-N 2.64Å; L569-E571 VanDerWaalsContact C-N 3.3Å; L569-E571 PolarHBondContact O-N 3.02Å; E571-I575 PolarHBondContact O-N 3.01Å; E571-K611 IonicContact OE2-NZ 2.72Å; E571-K611 PolarHBondContact OE2-NZ 3.07Å |
| 572 | V | 67.7 | Low | 62.2 | Low | 7 Ų | 7 | 73 Ų | 73 | 4% | 0.042 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -67.2 | -44.2 | 173.2 | 173.2 | 0 | 0 | 0 | 0 | 110.9 | D568 L569 G574 I575 I576 M610 K611 I614 | D568-V572 WeakPolarHBondContact O-CG2 3.46Å; D568-V572 PolarHBondContact O-N 2.76Å; D568-V572 VanDerWaalsContact O-N 3.1Å; L569-V572 PolarHBondContact O-N 2.85Å; V572-G574 VanDerWaalsContact C-N 3.28Å; V572-G574 PolarHBondContact O-N 3.27Å; V572-I575 WeakPolarHBondContact O-CB 3.48Å; V572-I575 PolarHBondContact O-N 3.47Å; V572-I576 HydrophobicContact CG1-CD1 4.17Å; V572-I576 WeakPolarHBondContact O-CG1 3.38Å; V572-I576 PolarHBondContact O-N 2.97Å; V572-M610 HydrophobicContact CG1-CE 4.44Å; V572-K611 HydrophobicContact CG2-CB 3.79Å; V572-K611 HydrophobicContact CG2-CD 4.18Å; V572-K611 HydrophobicContact CG2-CG 3.93Å; V572-I614 HydrophobicContact CG1-CD1 3.64Å |
| 573 | G | 67.1 | Low | 60.9 | Low | 7 Ų | 7 | 77.3 Ų | 77.3 | 7% | 0.072 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -58.4 | -38.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | L569 C570 I575 I576 G577 G578 | L569-G573 PolarHBondContact O-N 3.22Å; C570-G573 PolarHBondContact O-N 3.47Å; G573-I575 VanDerWaalsContact C-N 3.32Å; G573-I575 PolarHBondContact O-N 2.99Å; G573-I576 PolarHBondContact O-N 3.32Å; G573-I576 VanDerWaalsContact O-N 3.15Å; G573-G577 PolarHBondContact O-N 2.92Å; G573-G578 PolarHBondContact O-N 2.93Å; G573-G578 VanDerWaalsContact O-N 3.07Å |
| 574 | G | 65.5 | Low | 59.5 | Low | 53 Ų | 53 | 83.7 Ų | 83.7 | 55% | 0.546 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -61.8 | -34.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | C570 V572 I576 G577 | C570-G574 PolarHBondContact O-N 3.42Å; V572-G574 VanDerWaalsContact C-N 3.28Å; V572-G574 PolarHBondContact O-N 3.27Å; G574-I576 VanDerWaalsContact C-N 3.33Å; G574-G577 PolarHBondContact O-N 3.29Å |
| 575 | I | 62.2 | Low | 58.2 | Low | 56 Ų | 56 | 83.7 Ų | 83.7 | 29% | 0.287 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -71 | -30.4 | 175.6 | -65 | 166.6 | 0 | 0 | 0 | 111.5 | E571 V572 G573 G577 K611 I614 | E571-I575 PolarHBondContact O-N 3.01Å; V572-I575 WeakPolarHBondContact O-CB 3.48Å; V572-I575 PolarHBondContact O-N 3.47Å; G573-I575 VanDerWaalsContact C-N 3.32Å; G573-I575 PolarHBondContact O-N 2.99Å; I575-G577 PolarHBondContact O-N 3.36Å; I575-K611 HydrophobicContact CD1-CD 4.4Å; I575-K611 HydrophobicContact CD1-CG 3.75Å; I575-I614 HydrophobicContact CG2-CG2 4.18Å |
| 576 | I | 66.8 | Low | 56.5 | Low | 115 Ų | 115 | 90.2 Ų | 90.2 | 59% | 0.59 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -77.7 | -11.8 | 176.1 | -56.9 | 169.4 | 0 | 0 | 0 | 111.4 | V572 G573 G574 I614 | V572-I576 HydrophobicContact CG1-CD1 4.17Å; V572-I576 WeakPolarHBondContact O-CG1 3.38Å; V572-I576 PolarHBondContact O-N 2.97Å; G573-I576 PolarHBondContact O-N 3.32Å; G573-I576 VanDerWaalsContact O-N 3.15Å; G574-I576 VanDerWaalsContact C-N 3.33Å; I576-I614 HydrophobicContact CD1-CD1 4.1Å; I576-I614 HydrophobicContact CD1-CG2 4.43Å; I576-I614 HydrophobicContact CG1-CG2 3.77Å |
| 577 | G | 58.6 | Low | 55.3 | Low | 65 Ų | 65 | 91.5 Ų | 91.5 | 67% | 0.67 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.8 | 15.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | G573 G574 I575 | G573-G577 PolarHBondContact O-N 2.92Å; G574-G577 PolarHBondContact O-N 3.29Å; I575-G577 PolarHBondContact O-N 3.36Å |
| 578 | G | 50.4 | Low | 53.6 | Low | 35 Ų | 35 | 92.2 Ų | 92.2 | 36% | 0.361 | 52% | 0.524 | S | S | . | . | trans | -88.2 | 120.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | G573 I580 | G573-G578 PolarHBondContact O-N 2.93Å; G573-G578 VanDerWaalsContact O-N 3.07Å; G578-I580 PolarHBondContact O-N 2.95Å | ||
| 579 | N | 43.5 | Very low | 52 | Low | 171 Ų | 171 | 98 Ų | 98 | 91% | 0.914 | 55% | 0.55 | S | S | * | . | trans | -70.6 | 78.3 | 167.3 | -80.4 | -16.7 | 0 | 0 | 0 | 110.5 | A581 | N579-A581 PolarHBondContact O-N 3.07Š| ||
| 580 | I | 44.5 | Very low | 50.7 | Low | 96 Ų | 96 | 99.2 Ų | 99.2 | 49% | 0.492 | 57% | 0.565 | S | S | . | * | trans | -80.4 | 83.9 | 174.8 | -52.7 | -177.6 | 0 | 0 | 0 | 109 | G578 | G578-I580 PolarHBondContact O-N 2.95Š| ||
| 581 | A | 44.6 | Very low | 49.4 | Very low | 89 Ų | 89 | 102 Ų | 102 | 74% | 0.736 | 58% | 0.582 | S | S | * | * | trans | -82.6 | 122.1 | 168 | 0 | 0 | 0 | 0 | 0 | 110.5 | N579 | N579-A581 PolarHBondContact O-N 3.07Š| ||
| 582 | E | 43.2 | Very low | 48 | Very low | 189 Ų | 189 | 106.6 Ų | 106.6 | 88% | 0.883 | 60% | 0.601 | S | S | * | * | trans | 61.1 | 69.1 | 158.2 | -55.6 | -170.2 | 179.3 | 0 | 0 | 118.5 | K584 | E582-K584 PolarHBondContact O-N 3.41Š| ||
| 583 | M | 40.5 | Very low | 46.9 | Very low | 140 Ų | 140 | 107.7 Ų | 107.7 | 69% | 0.69 | 61% | 0.611 | S | S | * | * | trans | -83.5 | 97.8 | 161 | -168.2 | 171.8 | -175.7 | 0 | 0 | 111.1 | V585 | M583-V585 HydrophobicContact CG-CG2 4.29Š| ||
| 584 | K | 36.2 | Very low | 45.7 | Very low | 206 Ų | 206 | 114.5 Ų | 114.5 | 90% | 0.896 | 65% | 0.646 | S | S | * | * | trans | -90.6 | 110 | 178.8 | -147.2 | 175.6 | -168.8 | 175 | 0 | 110.4 | E582 | E582-K584 PolarHBondContact O-N 3.41Š| ||
| 585 | V | 42.1 | Very low | 44.9 | Very low | 73 Ų | 73 | 120.8 Ų | 120.8 | 44% | 0.442 | 65% | 0.653 | S | S | . | * | trans | -96.6 | 116 | -173.5 | -172.2 | 0 | 0 | 0 | 0 | 111.2 | V566 M583 I587 | V566-V585 HydrophobicContact CG2-CG2 4.17Å; M583-V585 HydrophobicContact CG-CG2 4.29Å; V585-I587 HydrophobicContact CG1-CG1 3.8Å | ||
| 586 | N | 33.4 | Very low | 44.1 | Very low | 163 Ų | 163 | 119.5 Ų | 119.5 | 87% | 0.872 | 65% | 0.646 | S | S | * | * | trans | -88.3 | 134.3 | 159.1 | -85.9 | -9.5 | 0 | 0 | 0 | 108.5 | ||||
| 587 | I | 43.6 | Very low | 43.2 | Very low | 65 Ų | 65 | 116.7 Ų | 116.7 | 33% | 0.333 | 63% | 0.633 | S | S | . | * | trans | -114.6 | 111 | -172.5 | -58.4 | 162.4 | 0 | 0 | 0 | 109.7 | L562 V585 | L562-I587 HydrophobicContact CB-CD1 4.36Å; L562-I587 HydrophobicContact CD1-CD1 3.63Å; L562-I587 HydrophobicContact CD1-CG1 4.14Å; L562-I587 HydrophobicContact CD1-CG2 4.41Å; V585-I587 HydrophobicContact CG1-CG1 3.8Å | ||
| 588 | D | 36.9 | Very low | 43.2 | Very low | 148 Ų | 148 | 120.4 Ų | 120.4 | 79% | 0.791 | 63% | 0.632 | S | S | * | * | trans | -99.9 | 172.7 | 167 | -92.9 | -32.4 | 0 | 0 | 0 | 112.3 | ||||
| 589 | E | 35.5 | Very low | 43.6 | Very low | 158 Ų | 158 | 124.1 Ų | 124.1 | 74% | 0.738 | 64% | 0.64 | S | S | * | * | trans | -91 | 138.3 | -144.2 | -51.5 | -176.8 | 142.9 | 0 | 0 | 114.8 | K555 | K555-E589 IonicContact NZ-OE1 2.6Š| ||
| 590 | S | 43.6 | Very low | 44.4 | Very low | 105 Ų | 105 | 118 Ų | 118 | 73% | 0.734 | 61% | 0.606 | S | S | * | * | trans | -155 | 139.9 | 153.5 | 59.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 591 | P | 41.8 | Very low | 45.4 | Very low | 110 Ų | 110 | 116.3 Ų | 116.3 | 71% | 0.714 | 60% | 0.6 | S | S | * | * | trans | -110.6 | 132.2 | -174.9 | 37.2 | -29.9 | 0 | 0 | 0 | 114.3 | ||||
| 592 | K | 40 | Very low | 46.6 | Very low | 188 Ų | 188 | 115.7 Ų | 115.7 | 82% | 0.817 | 59% | 0.587 | S | S | * | * | trans | -179.7 | 97.6 | 150 | -101.4 | 152.6 | -171.8 | 177.9 | 0 | 109.4 | I596 | K592-I596 WeakPolarHBondContact O-CD1 3.4Å; K592-I596 WeakPolarHBondContact O-CG1 3.38Å | ||
| 593 | A | 46 | Very low | 47.7 | Very low | 30 Ų | 30 | 108.3 Ų | 108.3 | 25% | 0.248 | 56% | 0.558 | C | S | . | * | trans | -92.7 | -16.6 | -147.9 | 0 | 0 | 0 | 0 | 0 | 118.1 | H554 | H554-A593 WeakPolarHBondContact CE1-CB 3.15Å; H554-A593 WeakPolarHBondContact NE2-CB 3.41Å | ||
| 594 | D | 42 | Very low | 49.1 | Very low | 150 Ų | 150 | 108 Ų | 108 | 80% | 0.802 | 55% | 0.549 | S | S | * | . | S | Bend | trans | -87.3 | -22.8 | -172 | -63.8 | -33.4 | 0 | 0 | 0 | 114.6 | I596 | D594-I596 VanDerWaalsContact C-N 3.33Š|
| 595 | R | 46.8 | Very low | 50.9 | Low | 184 Ų | 184 | 103.7 Ų | 103.7 | 69% | 0.694 | 54% | 0.535 | S | S | * | . | S | Bend | trans | -79.6 | -17.1 | 172.4 | -72.7 | -171.3 | 178.1 | -178.8 | -0.8 | 113.5 | D597 E598 E599 | R595-D597 PolarHBondContact O-N 2.92Å; R595-E598 PolarHBondContact O-N 3.3Å; R595-E599 HydrophobicContact CB-CG 4.49Å; R595-E599 WeakPolarHBondContact O-CB 3.36Å; R595-E599 WeakPolarHBondContact O-CG 3.43Å; R595-E599 PolarHBondContact O-N 3.28Å |
| 596 | I | 47.2 | Very low | 52.4 | Low | 30 Ų | 30 | 104.9 Ų | 104.9 | 15% | 0.154 | 54% | 0.538 | C | S | . | . | H | α-helix | trans | -66 | -37.1 | -171.7 | -68.1 | -179.2 | 0 | 0 | 0 | 111.7 | I558 M561 K592 D594 F600 | I558-I596 HydrophobicContact CD1-CD1 4.03Å; I558-I596 HydrophobicContact CG1-CG2 4.39Å; M561-I596 HydrophobicContact CE-CG2 4.19Å; K592-I596 WeakPolarHBondContact O-CD1 3.4Å; K592-I596 WeakPolarHBondContact O-CG1 3.38Å; D594-I596 VanDerWaalsContact C-N 3.33Å; I596-F600 HydrophobicContact CG2-CD2 3.57Å; I596-F600 HydrophobicContact CG2-CE2 3.66Å; I596-F600 HydrophobicContact CG2-CG 4.5Å; I596-F600 VanDerWaalsContact O-CB 3.26Å; I596-F600 WeakPolarHBondContact O-CB 3.39Å; I596-F600 VanDerWaalsContact O-CD2 3.29Å; I596-F600 WeakPolarHBondContact O-CD2 3.3Å; I596-F600 PolarHBondContact O-N 3.14Å |
| 597 | D | 47.9 | Very low | 54.3 | Low | 56 Ų | 56 | 98 Ų | 98 | 30% | 0.299 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.6 | -39.5 | 177.3 | -88.9 | -12.1 | 0 | 0 | 0 | 112.6 | R557 R595 T601 | R557-D597 IonicContact CZ-OD1 3.69Å; R557-D597 VanDerWaalsContact CZ-OD1 3.32Å; R557-D597 IonicContact CZ-OD2 2.57Å; R557-D597 IonicContact NH1-OD1 3.71Å; R557-D597 PolarHBondContact NH1-OD1 2.87Å; R557-D597 IonicContact NH1-OD2 2.81Å; R557-D597 PolarHBondContact NH1-OD2 3.17Å; R557-D597 VanDerWaalsContact NH2-CG 3.35Å; R557-D597 IonicContact NH2-OD1 3.94Å; R557-D597 PolarHBondContact NH2-OD1 3.47Å; R557-D597 IonicContact NH2-OD2 3.76Å; R557-D597 PolarHBondContact NH2-OD2 2.84Å; R595-D597 PolarHBondContact O-N 2.92Å; D597-T601 WeakPolarHBondContact O-CB 3.46Å; D597-T601 PolarHBondContact O-N 2.95Å; D597-T601 PolarHBondContact O-OG1 2.97Å |
| 598 | E | 58.1 | Low | 56 | Low | 142 Ų | 142 | 99 Ų | 99 | 66% | 0.664 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -68.8 | -50.5 | 173.6 | -71 | -170.1 | 159.5 | 0 | 0 | 110.6 | R595 F600 T601 V602 | R595-E598 PolarHBondContact O-N 3.3Å; E598-F600 VanDerWaalsContact C-N 3.35Å; E598-F600 PolarHBondContact O-N 3.29Å; E598-T601 PolarHBondContact O-N 2.97Å; E598-T601 VanDerWaalsContact O-N 3.13Å; E598-V602 WeakPolarHBondContact O-CB 3.42Å; E598-V602 VanDerWaalsContact O-CG2 3.27Å; E598-V602 WeakPolarHBondContact O-CG2 3.22Å; E598-V602 PolarHBondContact O-N 3Å |
| 599 | E | 59.2 | Low | 57.9 | Low | 114 Ų | 114 | 97.3 Ų | 97.3 | 53% | 0.533 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.7 | -36.5 | -178.8 | -73.4 | 175.6 | -167.2 | 0 | 0 | 112.4 | R595 A603 | R595-E599 HydrophobicContact CB-CG 4.49Å; R595-E599 WeakPolarHBondContact O-CB 3.36Å; R595-E599 WeakPolarHBondContact O-CG 3.43Å; R595-E599 PolarHBondContact O-N 3.28Å; E599-A603 WeakPolarHBondContact O-CB 3.47Å; E599-A603 PolarHBondContact O-N 2.86Å |
| 600 | F | 59.5 | Low | 59.8 | Low | 43 Ų | 43 | 93.4 Ų | 93.4 | 19% | 0.189 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -74.9 | -34.3 | 172.5 | -88.2 | -113.3 | 0 | 0 | 0 | 112.9 | M561 L562 I565 I596 E598 V602 A603 R604 | M561-F600 HydrophobicContact CB-CD1 3.68Å; M561-F600 HydrophobicContact CB-CE1 3.7Å; M561-F600 HydrophobicContact CE-CB 3.4Å; M561-F600 HydrophobicContact CE-CD1 3.76Å; M561-F600 HydrophobicContact CE-CD2 4.04Å; M561-F600 HydrophobicContact CE-CE1 4.5Å; M561-F600 HydrophobicContact CE-CG 3.48Å; M561-F600 VanDerWaalsContact CE-CG 3.48Å; L562-F600 HydrophobicContact CD2-CE1 3.81Å; L562-F600 HydrophobicContact CD2-CZ 3.73Å; L562-F600 HydrophobicContact CG-CE1 3.94Å; L562-F600 HydrophobicContact CG-CZ 3.9Å; I565-F600 HydrophobicContact CD1-CD1 3.37Å; I565-F600 HydrophobicContact CD1-CE1 3.65Å; I565-F600 HydrophobicContact CD1-CG 4.21Å; I565-F600 HydrophobicContact CG1-CD1 4.31Å; I596-F600 HydrophobicContact CG2-CD2 3.57Å; I596-F600 HydrophobicContact CG2-CE2 3.66Å; I596-F600 HydrophobicContact CG2-CG 4.5Å; I596-F600 VanDerWaalsContact O-CB 3.26Å; I596-F600 WeakPolarHBondContact O-CB 3.39Å; I596-F600 VanDerWaalsContact O-CD2 3.29Å; I596-F600 WeakPolarHBondContact O-CD2 3.3Å; I596-F600 PolarHBondContact O-N 3.14Å; E598-F600 VanDerWaalsContact C-N 3.35Å; E598-F600 PolarHBondContact O-N 3.29Å; F600-V602 VanDerWaalsContact C-N 3.33Å; F600-A603 PolarHBondContact O-N 3.11Å; F600-R604 VanDerWaalsContact O-CB 3.29Å; F600-R604 WeakPolarHBondContact O-CB 3.41Å; F600-R604 PolarHBondContact O-N 3.22Å |
| 601 | T | 66.5 | Low | 61.4 | Low | 60 Ų | 60 | 91.4 Ų | 91.4 | 37% | 0.368 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -66.5 | -40.3 | 173.6 | -65.1 | 0 | 0 | 0 | 0 | 110.7 | D597 E598 L605 | D597-T601 WeakPolarHBondContact O-CB 3.46Å; D597-T601 PolarHBondContact O-N 2.95Å; D597-T601 PolarHBondContact O-OG1 2.97Å; E598-T601 PolarHBondContact O-N 2.97Å; E598-T601 VanDerWaalsContact O-N 3.13Å; T601-L605 HydrophobicContact CG2-CD1 4.31Å; T601-L605 WeakPolarHBondContact O-CB 3.45Å; T601-L605 PolarHBondContact O-N 3.36Å |
| 602 | V | 68.3 | Low | 63.1 | Low | 76 Ų | 76 | 88.8 Ų | 88.8 | 46% | 0.461 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -64.4 | -45.7 | 170.4 | 169.8 | 0 | 0 | 0 | 0 | 110.6 | E598 F600 R604 L605 L606 | E598-V602 WeakPolarHBondContact O-CB 3.42Å; E598-V602 VanDerWaalsContact O-CG2 3.27Å; E598-V602 WeakPolarHBondContact O-CG2 3.22Å; E598-V602 PolarHBondContact O-N 3Å; F600-V602 VanDerWaalsContact C-N 3.33Å; V602-R604 VanDerWaalsContact C-N 3.33Å; V602-R604 PolarHBondContact O-N 2.9Å; V602-L605 CarbonylContact O-C 3.57Å; V602-L605 WeakPolarHBondContact O-CB 3.47Å; V602-L605 PolarHBondContact O-N 2.87Å; V602-L606 HydrophobicContact CG1-CD1 3.75Å; V602-L606 HydrophobicContact CG1-CG 4.11Å; V602-L606 VanDerWaalsContact O-CB 3.31Å; V602-L606 WeakPolarHBondContact O-CB 3.09Å; V602-L606 VanDerWaalsContact O-CG 3.25Å; V602-L606 WeakPolarHBondContact O-CG 3.37Å; V602-L606 PolarHBondContact O-N 3.1Å |
| 603 | A | 67.1 | Low | 64.9 | Low | 33 Ų | 33 | 84 Ų | 84 | 27% | 0.273 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -62 | -39 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | I565 E599 F600 L606 L607 | I565-A603 HydrophobicContact CD1-CB 4.21Å; E599-A603 WeakPolarHBondContact O-CB 3.47Å; E599-A603 PolarHBondContact O-N 2.86Å; F600-A603 PolarHBondContact O-N 3.11Å; A603-L606 PolarHBondContact O-N 3.14Å; A603-L607 VanDerWaalsContact O-CB 3.3Å; A603-L607 WeakPolarHBondContact O-CB 3.38Å; A603-L607 WeakPolarHBondContact O-CG 3.4Å; A603-L607 PolarHBondContact O-N 2.89Å |
| 604 | R | 70 | Confident | 66.4 | Low | 135 Ų | 135 | 84.2 Ų | 84.2 | 51% | 0.509 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -68.4 | -39.6 | 173.6 | -178.3 | 178.6 | 55.5 | 171.3 | -7.1 | 112.4 | F600 V602 L607 T608 | F600-R604 VanDerWaalsContact O-CB 3.29Å; F600-R604 WeakPolarHBondContact O-CB 3.41Å; F600-R604 PolarHBondContact O-N 3.22Å; V602-R604 VanDerWaalsContact C-N 3.33Å; V602-R604 PolarHBondContact O-N 2.9Å; R604-L607 PolarHBondContact O-N 2.92Å; R604-T608 WeakPolarHBondContact O-CB 3.39Å; R604-T608 PolarHBondContact O-N 2.88Å; R604-T608 PolarHBondContact O-OG1 2.93Å |
| 605 | L | 72.7 | Confident | 68.1 | Low | 114 Ų | 114 | 82.8 Ų | 82.8 | 60% | 0.597 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -63.8 | -43 | 171.4 | -90.2 | 161 | 0 | 0 | 0 | 111.5 | T601 V602 T608 K609 | T601-L605 HydrophobicContact CG2-CD1 4.31Å; T601-L605 WeakPolarHBondContact O-CB 3.45Å; T601-L605 PolarHBondContact O-N 3.36Å; V602-L605 CarbonylContact O-C 3.57Å; V602-L605 WeakPolarHBondContact O-CB 3.47Å; V602-L605 PolarHBondContact O-N 2.87Å; L605-T608 PolarHBondContact O-N 3.34Å; L605-K609 VanDerWaalsContact O-CB 3.25Å; L605-K609 WeakPolarHBondContact O-CB 3.42Å; L605-K609 PolarHBondContact O-N 2.86Å |
| 606 | L | 75.4 | Confident | 69.6 | Low | 98 Ų | 98 | 78 Ų | 78 | 51% | 0.513 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -65.7 | -40.1 | 175.2 | -73.2 | 173.9 | 0 | 0 | 0 | 111.3 | V602 A603 K609 M610 | V602-L606 HydrophobicContact CG1-CD1 3.75Å; V602-L606 HydrophobicContact CG1-CG 4.11Å; V602-L606 VanDerWaalsContact O-CB 3.31Å; V602-L606 WeakPolarHBondContact O-CB 3.09Å; V602-L606 VanDerWaalsContact O-CG 3.25Å; V602-L606 WeakPolarHBondContact O-CG 3.37Å; V602-L606 PolarHBondContact O-N 3.1Å; A603-L606 PolarHBondContact O-N 3.14Å; L606-K609 PolarHBondContact O-N 3.3Å; L606-M610 WeakPolarHBondContact O-CA 3.31Å; L606-M610 WeakPolarHBondContact O-CB 3.37Å; L606-M610 PolarHBondContact O-N 2.79Å |
| 607 | L | 73.3 | Confident | 71 | Confident | 18 Ų | 18 | 81.3 Ų | 81.3 | 9% | 0.094 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -63.9 | -42.2 | 172.8 | -85.8 | 159.7 | 0 | 0 | 0 | 111.6 | I565 L569 A603 R604 M610 K611 | I565-L607 HydrophobicContact CB-CD1 4.5Å; I565-L607 HydrophobicContact CG1-CD1 4.28Å; I565-L607 HydrophobicContact CG2-CD1 3.87Å; L569-L607 HydrophobicContact CD2-CD2 3.52Å; L569-L607 HydrophobicContact CG-CD2 3.9Å; A603-L607 VanDerWaalsContact O-CB 3.3Å; A603-L607 WeakPolarHBondContact O-CB 3.38Å; A603-L607 WeakPolarHBondContact O-CG 3.4Å; A603-L607 PolarHBondContact O-N 2.89Å; R604-L607 PolarHBondContact O-N 2.92Å; L607-M610 HydrophobicContact CD2-CE 3.71Å; L607-M610 PolarHBondContact O-N 3.16Å; L607-K611 WeakPolarHBondContact O-CB 3.4Å; L607-K611 PolarHBondContact O-N 2.95Å |
| 608 | T | 78.1 | Confident | 72.5 | Confident | 86 Ų | 86 | 81.8 Ų | 81.8 | 53% | 0.528 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -65.1 | -42.5 | 175.7 | -54.9 | 0 | 0 | 0 | 0 | 111.2 | R604 L605 K611 A612 | R604-T608 WeakPolarHBondContact O-CB 3.39Å; R604-T608 PolarHBondContact O-N 2.88Å; R604-T608 PolarHBondContact O-OG1 2.93Å; L605-T608 PolarHBondContact O-N 3.34Å; T608-K611 PolarHBondContact O-N 2.81Å; T608-A612 PolarHBondContact O-N 3.5Å |
| 609 | K | 77.9 | Confident | 73.5 | Confident | 114 Ų | 114 | 80.5 Ų | 80.5 | 50% | 0.496 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -65.4 | -45.2 | 175.4 | -175.5 | 174.7 | -176.5 | -80.4 | 0 | 111.5 | L605 L606 A612 E613 | L605-K609 VanDerWaalsContact O-CB 3.25Å; L605-K609 WeakPolarHBondContact O-CB 3.42Å; L605-K609 PolarHBondContact O-N 2.86Å; L606-K609 PolarHBondContact O-N 3.3Å; K609-A612 CarbonylContact O-C 3.57Å; K609-A612 WeakPolarHBondContact O-CB 3.45Å; K609-A612 PolarHBondContact O-N 2.85Å; K609-E613 WeakPolarHBondContact CE-OE1 3.44Å; K609-E613 HydrophobicContact CG-CG 4.45Å; K609-E613 IonicContact NZ-OE1 3.91Å; K609-E613 PolarHBondContact NZ-OE1 3Å; K609-E613 IonicContact NZ-OE2 3.48Å; K609-E613 WeakPolarHBondContact O-CB 3.49Å; K609-E613 WeakPolarHBondContact O-CG 3.38Å; K609-E613 PolarHBondContact O-N 3.41Å |
| 610 | M | 75.4 | Confident | 74.3 | Confident | 76 Ų | 76 | 80.7 Ų | 80.7 | 37% | 0.374 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -66.6 | -37.1 | 177.6 | -173.2 | 178.1 | 68.1 | 0 | 0 | 111 | V572 L606 L607 A612 E613 I614 | V572-M610 HydrophobicContact CG1-CE 4.44Å; L606-M610 WeakPolarHBondContact O-CA 3.31Å; L606-M610 WeakPolarHBondContact O-CB 3.37Å; L606-M610 PolarHBondContact O-N 2.79Å; L607-M610 HydrophobicContact CD2-CE 3.71Å; L607-M610 PolarHBondContact O-N 3.16Å; M610-A612 VanDerWaalsContact C-N 3.34Å; M610-A612 PolarHBondContact O-N 2.84Å; M610-E613 PolarHBondContact O-N 3.4Å; M610-I614 HydrophobicContact CG-CD1 3.6Å; M610-I614 HydrophobicContact CG-CG1 4.16Å; M610-I614 WeakPolarHBondContact O-CB 3.46Å; M610-I614 WeakPolarHBondContact O-CD1 3.18Å; M610-I614 WeakPolarHBondContact O-CG1 3.3Å; M610-I614 PolarHBondContact O-N 3.34Å; M610-I614 HydrophobicContact SD-CD1 4.35Å |
| 611 | K | 76.7 | Confident | 75.1 | Confident | 63 Ų | 63 | 81.7 Ų | 81.7 | 27% | 0.274 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -61.6 | -41.3 | 171.1 | -170.4 | 175.3 | -172.4 | 176.4 | 0 | 111.6 | E571 V572 I575 L607 T608 K615 | E571-K611 IonicContact OE2-NZ 2.72Å; E571-K611 PolarHBondContact OE2-NZ 3.07Å; V572-K611 HydrophobicContact CG2-CB 3.79Å; V572-K611 HydrophobicContact CG2-CD 4.18Å; V572-K611 HydrophobicContact CG2-CG 3.93Å; I575-K611 HydrophobicContact CD1-CD 4.4Å; I575-K611 HydrophobicContact CD1-CG 3.75Å; L607-K611 WeakPolarHBondContact O-CB 3.4Å; L607-K611 PolarHBondContact O-N 2.95Å; T608-K611 PolarHBondContact O-N 2.81Å; K611-K615 VanDerWaalsContact O-CB 3.3Å; K611-K615 WeakPolarHBondContact O-CB 3.21Å; K611-K615 PolarHBondContact O-N 3.32Å |
| 612 | A | 77.2 | Confident | 75.7 | Confident | 55 Ų | 55 | 81.9 Ų | 81.9 | 46% | 0.455 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -67.3 | -50 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | T608 K609 M610 I614 K615 T616 | T608-A612 PolarHBondContact O-N 3.5Å; K609-A612 CarbonylContact O-C 3.57Å; K609-A612 WeakPolarHBondContact O-CB 3.45Å; K609-A612 PolarHBondContact O-N 2.85Å; M610-A612 VanDerWaalsContact C-N 3.34Å; M610-A612 PolarHBondContact O-N 2.84Å; A612-I614 PolarHBondContact O-N 3.38Å; A612-K615 WeakPolarHBondContact O-CB 3.35Å; A612-K615 PolarHBondContact O-N 3.37Å; A612-K615 VanDerWaalsContact O-N 3.12Å; A612-T616 PolarHBondContact O-N 3.01Å; A612-T616 PolarHBondContact O-OG1 3.12Å; A612-T616 VanDerWaalsContact O-OG1 3.06Å |
| 613 | E | 77.3 | Confident | 76.1 | Confident | 86 Ų | 86 | 84.6 Ų | 84.6 | 40% | 0.402 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -61.1 | -43.4 | 179.6 | -76 | 174.4 | 175.1 | 0 | 0 | 112.6 | K609 M610 K615 T616 L617 | K609-E613 WeakPolarHBondContact CE-OE1 3.44Å; K609-E613 HydrophobicContact CG-CG 4.45Å; K609-E613 IonicContact NZ-OE1 3.91Å; K609-E613 PolarHBondContact NZ-OE1 3Å; K609-E613 IonicContact NZ-OE2 3.48Å; K609-E613 WeakPolarHBondContact O-CB 3.49Å; K609-E613 WeakPolarHBondContact O-CG 3.38Å; K609-E613 PolarHBondContact O-N 3.41Å; M610-E613 PolarHBondContact O-N 3.4Å; E613-K615 VanDerWaalsContact C-N 3.31Å; E613-K615 PolarHBondContact O-N 2.94Å; E613-T616 CarbonylContact O-C 3.58Å; E613-T616 PolarHBondContact O-N 2.95Å; E613-L617 WeakPolarHBondContact O-CB 3.5Å; E613-L617 VanDerWaalsContact O-CG 3.24Å; E613-L617 WeakPolarHBondContact O-CG 3.3Å; E613-L617 PolarHBondContact O-N 3.31Å |
| 614 | I | 77.8 | Confident | 76.5 | Confident | 35 Ų | 35 | 87.4 Ų | 87.4 | 18% | 0.179 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -62.6 | -39.1 | 174.1 | -73.4 | 168.5 | 0 | 0 | 0 | 110.6 | V572 I575 I576 M610 A612 L617 S618 | V572-I614 HydrophobicContact CG1-CD1 3.64Å; I575-I614 HydrophobicContact CG2-CG2 4.18Å; I576-I614 HydrophobicContact CD1-CD1 4.1Å; I576-I614 HydrophobicContact CD1-CG2 4.43Å; I576-I614 HydrophobicContact CG1-CG2 3.77Å; M610-I614 HydrophobicContact CG-CD1 3.6Å; M610-I614 HydrophobicContact CG-CG1 4.16Å; M610-I614 WeakPolarHBondContact O-CB 3.46Å; M610-I614 WeakPolarHBondContact O-CD1 3.18Å; M610-I614 WeakPolarHBondContact O-CG1 3.3Å; M610-I614 PolarHBondContact O-N 3.34Å; M610-I614 HydrophobicContact SD-CD1 4.35Å; A612-I614 PolarHBondContact O-N 3.38Å; I614-L617 PolarHBondContact O-N 2.84Å; I614-S618 WeakPolarHBondContact O-CB 3.3Å; I614-S618 PolarHBondContact O-N 2.75Å |
| 615 | K | 77.8 | Confident | 76.8 | Confident | 120 Ų | 120 | 85.4 Ų | 85.4 | 52% | 0.522 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -68.6 | -39.6 | 177 | -163 | 171.9 | -173.5 | 177 | 0 | 111.6 | K611 A612 E613 Q619 | K611-K615 VanDerWaalsContact O-CB 3.3Å; K611-K615 WeakPolarHBondContact O-CB 3.21Å; K611-K615 PolarHBondContact O-N 3.32Å; A612-K615 WeakPolarHBondContact O-CB 3.35Å; A612-K615 PolarHBondContact O-N 3.37Å; A612-K615 VanDerWaalsContact O-N 3.12Å; E613-K615 VanDerWaalsContact C-N 3.31Å; E613-K615 PolarHBondContact O-N 2.94Å; K615-Q619 WeakPolarHBondContact O-CG 3.36Å; K615-Q619 PolarHBondContact O-N 3.04Å; K615-Q619 VanDerWaalsContact O-N 3.1Å |
| 616 | T | 78.5 | Confident | 77.2 | Confident | 84 Ų | 84 | 83 Ų | 83 | 52% | 0.515 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -68.7 | -38.6 | 172.8 | -52.7 | 0 | 0 | 0 | 0 | 112 | A612 E613 Q619 K620 | A612-T616 PolarHBondContact O-N 3.01Å; A612-T616 PolarHBondContact O-OG1 3.12Å; A612-T616 VanDerWaalsContact O-OG1 3.06Å; E613-T616 CarbonylContact O-C 3.58Å; E613-T616 PolarHBondContact O-N 2.95Å; T616-Q619 PolarHBondContact O-N 2.65Å; T616-K620 VanDerWaalsContact O-CB 3.23Å; T616-K620 WeakPolarHBondContact O-CB 3.32Å; T616-K620 PolarHBondContact O-N 3.25Å |
| 617 | L | 77.2 | Confident | 77.5 | Confident | 99 Ų | 99 | 84.9 Ų | 84.9 | 52% | 0.518 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -68.3 | -41.9 | 175.9 | -79.9 | 165.1 | 0 | 0 | 0 | 111.2 | E613 I614 Q619 K620 C621 | E613-L617 WeakPolarHBondContact O-CB 3.5Å; E613-L617 VanDerWaalsContact O-CG 3.24Å; E613-L617 WeakPolarHBondContact O-CG 3.3Å; E613-L617 PolarHBondContact O-N 3.31Å; I614-L617 PolarHBondContact O-N 2.84Å; L617-Q619 PolarHBondContact O-N 3.44Å; L617-K620 CarbonylContact O-C 3.53Å; L617-K620 PolarHBondContact O-N 3.21Å; L617-K620 VanDerWaalsContact O-N 3.11Å; L617-C621 WeakPolarHBondContact O-CB 3.48Å; L617-C621 PolarHBondContact O-N 2.7Å; L617-C621 PolarHBondContact O-SG 3.02Å |
| 618 | S | 78.6 | Confident | 77.6 | Confident | 66 Ų | 66 | 89.8 Ų | 89.8 | 46% | 0.462 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -58.5 | -46.7 | 173.2 | 174.6 | 0 | 0 | 0 | 0 | 111.1 | I614 K620 C621 A622 | I614-S618 WeakPolarHBondContact O-CB 3.3Å; I614-S618 PolarHBondContact O-N 2.75Å; S618-K620 VanDerWaalsContact C-N 3.34Å; S618-K620 PolarHBondContact O-N 3.5Å; S618-C621 PolarHBondContact O-N 2.98Å; S618-A622 PolarHBondContact O-N 3.44Å |
| 619 | Q | 78.9 | Confident | 77.7 | Confident | 115 Ų | 115 | 92.3 Ų | 92.3 | 54% | 0.537 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.9 | -39.4 | 172.3 | -73.2 | 175.4 | -20.5 | 0 | 0 | 112.5 | K615 T616 L617 A622 Q623 | K615-Q619 WeakPolarHBondContact O-CG 3.36Å; K615-Q619 PolarHBondContact O-N 3.04Å; K615-Q619 VanDerWaalsContact O-N 3.1Å; T616-Q619 PolarHBondContact O-N 2.65Å; L617-Q619 PolarHBondContact O-N 3.44Å; Q619-A622 PolarHBondContact O-N 2.79Å; Q619-Q623 VanDerWaalsContact O-CG 3.32Å; Q619-Q623 WeakPolarHBondContact O-CG 3.36Å; Q619-Q623 PolarHBondContact O-N 2.76Å |
| 620 | K | 77.3 | Confident | 77.9 | Confident | 118 Ų | 118 | 91.7 Ų | 91.7 | 51% | 0.513 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -73.3 | -34 | -179.9 | -168.1 | 172.4 | -176.9 | 178.7 | 0 | 112.7 | T616 L617 S618 Q623 L624 | T616-K620 VanDerWaalsContact O-CB 3.23Å; T616-K620 WeakPolarHBondContact O-CB 3.32Å; T616-K620 PolarHBondContact O-N 3.25Å; L617-K620 CarbonylContact O-C 3.53Å; L617-K620 PolarHBondContact O-N 3.21Å; L617-K620 VanDerWaalsContact O-N 3.11Å; S618-K620 VanDerWaalsContact C-N 3.34Å; S618-K620 PolarHBondContact O-N 3.5Å; K620-Q623 PolarHBondContact O-N 2.77Å; K620-L624 HydrophobicContact CG-CD1 4.2Å; K620-L624 HydrophobicContact CG-CG 4.45Å; K620-L624 VanDerWaalsContact O-CB 3.31Å; K620-L624 WeakPolarHBondContact O-CB 3.5Å; K620-L624 WeakPolarHBondContact O-CG 3.35Å; K620-L624 PolarHBondContact O-N 3.32Å |
| 621 | C | 76.1 | Confident | 78.1 | Confident | 65 Ų | 65 | 91.1 Ų | 91.1 | 44% | 0.439 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.3 | -48.4 | 170.6 | -69.2 | 0 | 0 | 0 | 0 | 109.7 | L617 S618 Q623 L624 D625 | L617-C621 WeakPolarHBondContact O-CB 3.48Å; L617-C621 PolarHBondContact O-N 2.7Å; L617-C621 PolarHBondContact O-SG 3.02Å; S618-C621 PolarHBondContact O-N 2.98Å; C621-Q623 VanDerWaalsContact C-N 3.26Å; C621-Q623 PolarHBondContact O-N 3.11Å; C621-L624 CarbonylContact O-C 3.58Å; C621-L624 WeakPolarHBondContact O-CA 3.29Å; C621-L624 PolarHBondContact O-N 3.24Å; C621-D625 VanDerWaalsContact O-CG 3.24Å; C621-D625 PolarHBondContact O-N 3.44Å |
| 622 | A | 77.4 | Confident | 78.2 | Confident | 63 Ų | 63 | 90.7 Ų | 90.7 | 52% | 0.521 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -58.5 | -36.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | S618 Q619 S626 | S618-A622 PolarHBondContact O-N 3.44Å; Q619-A622 PolarHBondContact O-N 2.79Å; A622-S626 WeakPolarHBondContact O-CB 3.39Å; A622-S626 PolarHBondContact O-N 3.43Å |
| 623 | Q | 77 | Confident | 78.5 | Confident | 133 Ų | 133 | 91.3 Ų | 91.3 | 62% | 0.621 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -70.3 | -37.5 | 171.6 | -74 | 172.5 | -2.8 | 0 | 0 | 113.1 | Q619 K620 C621 F627 | Q619-Q623 VanDerWaalsContact O-CG 3.32Å; Q619-Q623 WeakPolarHBondContact O-CG 3.36Å; Q619-Q623 PolarHBondContact O-N 2.76Å; K620-Q623 PolarHBondContact O-N 2.77Å; C621-Q623 VanDerWaalsContact C-N 3.26Å; C621-Q623 PolarHBondContact O-N 3.11Å; Q623-F627 VanDerWaalsContact O-CB 3.3Å; Q623-F627 WeakPolarHBondContact O-CB 3.25Å; Q623-F627 PolarHBondContact O-N 2.76Å |
| 624 | L | 76.2 | Confident | 78.7 | Confident | 92 Ų | 92 | 95.6 Ų | 95.6 | 48% | 0.482 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -72.1 | -36.1 | 177.9 | -76.9 | 169.4 | 0 | 0 | 0 | 111.9 | K620 C621 F627 Q628 | K620-L624 HydrophobicContact CG-CD1 4.2Å; K620-L624 HydrophobicContact CG-CG 4.45Å; K620-L624 VanDerWaalsContact O-CB 3.31Å; K620-L624 WeakPolarHBondContact O-CB 3.5Å; K620-L624 WeakPolarHBondContact O-CG 3.35Å; K620-L624 PolarHBondContact O-N 3.32Å; C621-L624 CarbonylContact O-C 3.58Å; C621-L624 WeakPolarHBondContact O-CA 3.29Å; C621-L624 PolarHBondContact O-N 3.24Å; L624-F627 CarbonylContact O-C 3.59Å; L624-F627 PolarHBondContact O-N 2.77Å; L624-Q628 WeakPolarHBondContact O-CB 3.35Å; L624-Q628 PolarHBondContact O-N 3.14Å |
| 625 | D | 76.7 | Confident | 78.8 | Confident | 94 Ų | 94 | 98.8 Ų | 98.8 | 50% | 0.503 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.8 | -44.5 | 173.7 | -65.3 | -31.3 | 0 | 0 | 0 | 110 | C621 Q628 M629 | C621-D625 VanDerWaalsContact O-CG 3.24Å; C621-D625 PolarHBondContact O-N 3.44Å; D625-Q628 PolarHBondContact O-N 3.44Å; D625-M629 WeakPolarHBondContact O-CG 3.31Å; D625-M629 PolarHBondContact O-N 3.43Å |
| 626 | S | 79.8 | Confident | 79 | Confident | 64 Ų | 64 | 97.5 Ų | 97.5 | 45% | 0.448 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -57.8 | -49.9 | 170.2 | 157.8 | 0 | 0 | 0 | 0 | 111.9 | A622 Q628 M629 D630 | A622-S626 WeakPolarHBondContact O-CB 3.39Å; A622-S626 PolarHBondContact O-N 3.43Å; S626-Q628 VanDerWaalsContact C-N 3.32Å; S626-Q628 PolarHBondContact O-N 2.99Å; S626-M629 PolarHBondContact O-N 3.08Å; S626-D630 PolarHBondContact O-N 3.11Å |
| 627 | F | 81.6 | Confident | 79.4 | Confident | 136 Ų | 136 | 97 Ų | 97 | 60% | 0.596 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -66.3 | -33.3 | 179.1 | -178.9 | -97 | 0 | 0 | 0 | 112.5 | Q623 L624 C631 | Q623-F627 VanDerWaalsContact O-CB 3.3Å; Q623-F627 WeakPolarHBondContact O-CB 3.25Å; Q623-F627 PolarHBondContact O-N 2.76Å; L624-F627 CarbonylContact O-C 3.59Å; L624-F627 PolarHBondContact O-N 2.77Å; F627-C631 WeakPolarHBondContact O-CB 3.11Å; F627-C631 PolarHBondContact O-N 3.24Å |
| 628 | Q | 76.7 | Confident | 79.7 | Confident | 122 Ų | 122 | 96.2 Ų | 96.2 | 57% | 0.57 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -67.9 | -43.3 | 174.8 | -177.4 | -174.4 | -24.7 | 0 | 0 | 110.4 | L624 D625 S626 C631 T632 | L624-Q628 WeakPolarHBondContact O-CB 3.35Å; L624-Q628 PolarHBondContact O-N 3.14Å; D625-Q628 PolarHBondContact O-N 3.44Å; S626-Q628 VanDerWaalsContact C-N 3.32Å; S626-Q628 PolarHBondContact O-N 2.99Å; Q628-C631 PolarHBondContact O-N 3.49Å; Q628-T632 WeakPolarHBondContact O-CB 3.44Å; Q628-T632 PolarHBondContact O-N 3.42Å; Q628-T632 PolarHBondContact O-OG1 2.85Å |
| 629 | M | 79.9 | Confident | 79.9 | Confident | 138 Ų | 138 | 99.1 Ų | 99.1 | 68% | 0.68 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -58.8 | -48 | 173.4 | -76 | -179.1 | 62.7 | 0 | 0 | 111.4 | D625 S626 C631 T632 T633 | D625-M629 WeakPolarHBondContact O-CG 3.31Å; D625-M629 PolarHBondContact O-N 3.43Å; S626-M629 PolarHBondContact O-N 3.08Å; M629-C631 PolarHBondContact O-N 2.9Å; M629-T632 PolarHBondContact O-N 2.76Å; M629-T633 PolarHBondContact O-N 3.25Å; M629-T633 PolarHBondContact O-OG1 3.12Å |
| 630 | D | 82.5 | Confident | 80.1 | Confident | 101 Ų | 101 | 99.8 Ų | 99.8 | 54% | 0.54 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.8 | -40.4 | 176.7 | -73.1 | -14.3 | 0 | 0 | 0 | 112.2 | S626 T633 R634 | S626-D630 PolarHBondContact O-N 3.11Å; D630-T633 WeakPolarHBondContact CA-OG1 3.49Å; D630-T633 PolarHBondContact O-OG1 2.94Å; D630-R634 WeakPolarHBondContact O-CB 3.15Å; D630-R634 PolarHBondContact O-N 3.35Å |
| 631 | C | 78.6 | Confident | 80.4 | Confident | 65 Ų | 65 | 100 Ų | 100 | 44% | 0.439 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -68.1 | -36.1 | 177.3 | -169.2 | 0 | 0 | 0 | 0 | 111.8 | F627 Q628 M629 R634 M635 | F627-C631 WeakPolarHBondContact O-CB 3.11Å; F627-C631 PolarHBondContact O-N 3.24Å; Q628-C631 PolarHBondContact O-N 3.49Å; M629-C631 PolarHBondContact O-N 2.9Å; C631-R634 PolarHBondContact O-N 3.4Å; C631-M635 WeakPolarHBondContact O-CB 3.47Å; C631-M635 PolarHBondContact O-N 3.42Å |
| 632 | T | 78.8 | Confident | 80.7 | Confident | 53 Ų | 53 | 101.3 Ų | 101.3 | 33% | 0.325 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -68.5 | -49.8 | 177.8 | -53 | 0 | 0 | 0 | 0 | 110.7 | Q628 M629 R634 M635 E636 | Q628-T632 WeakPolarHBondContact O-CB 3.44Å; Q628-T632 PolarHBondContact O-N 3.42Å; Q628-T632 PolarHBondContact O-OG1 2.85Å; M629-T632 PolarHBondContact O-N 2.76Å; T632-R634 VanDerWaalsContact C-N 3.27Å; T632-R634 PolarHBondContact O-N 3.2Å; T632-M635 WeakPolarHBondContact O-CB 3.35Å; T632-M635 PolarHBondContact O-N 3.48Å; T632-M635 VanDerWaalsContact O-N 3.07Å; T632-E636 WeakPolarHBondContact O-CG 3.26Å; T632-E636 PolarHBondContact O-N 3.27Å |
| 633 | T | 83.6 | Confident | 80.8 | Confident | 69 Ų | 69 | 101.4 Ų | 101.4 | 42% | 0.423 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.7 | -35.4 | 174 | 34.4 | 0 | 0 | 0 | 0 | 112.6 | M629 D630 N637 | M629-T633 PolarHBondContact O-N 3.25Å; M629-T633 PolarHBondContact O-OG1 3.12Å; D630-T633 WeakPolarHBondContact CA-OG1 3.49Å; D630-T633 PolarHBondContact O-OG1 2.94Å; T633-N637 PolarHBondContact O-N 3.31Å; T633-N637 VanDerWaalsContact O-N 3.08Å; T633-N637 PolarHBondContact O-ND2 2.86Å |
| 634 | R | 82.6 | Confident | 81.3 | Confident | 175 Ų | 175 | 101.3 Ų | 101.3 | 66% | 0.66 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -69.2 | -36.3 | 173.5 | -172.5 | 173.5 | 173.2 | -172.8 | -4.5 | 112.5 | D630 C631 T632 N637 N638 | D630-R634 WeakPolarHBondContact O-CB 3.15Å; D630-R634 PolarHBondContact O-N 3.35Å; C631-R634 PolarHBondContact O-N 3.4Å; T632-R634 VanDerWaalsContact C-N 3.27Å; T632-R634 PolarHBondContact O-N 3.2Å; R634-N637 PolarHBondContact O-N 3.06Å; R634-N638 WeakPolarHBondContact O-CB 3.41Å; R634-N638 PolarHBondContact O-N 3Å; R634-N638 PolarHBondContact O-OD1 3.49Å |
| 635 | M | 79.8 | Confident | 81.4 | Confident | 102 Ų | 102 | 100.7 Ų | 100.7 | 50% | 0.502 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.8 | -45.3 | 173.9 | -173.5 | 175.9 | 71.2 | 0 | 0 | 111.2 | C631 T632 N637 N638 E639 | C631-M635 WeakPolarHBondContact O-CB 3.47Å; C631-M635 PolarHBondContact O-N 3.42Å; T632-M635 WeakPolarHBondContact O-CB 3.35Å; T632-M635 PolarHBondContact O-N 3.48Å; T632-M635 VanDerWaalsContact O-N 3.07Å; M635-N637 VanDerWaalsContact C-N 3.3Å; M635-N637 PolarHBondContact O-N 2.93Å; M635-N638 PolarHBondContact O-N 2.9Å; M635-E639 WeakPolarHBondContact O-CG 3.45Å; M635-E639 PolarHBondContact O-N 3.1Å |
| 636 | E | 82.4 | Confident | 81.8 | Confident | 94 Ų | 94 | 104.1 Ų | 104.1 | 44% | 0.439 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.3 | -36.3 | 175.3 | -71 | 173.9 | 176.6 | 0 | 0 | 112.9 | T632 R640 | T632-E636 WeakPolarHBondContact O-CG 3.26Å; T632-E636 PolarHBondContact O-N 3.27Å; E636-R640 PolarHBondContact O-N 3.36Å |
| 637 | N | 86.4 | Confident | 82 | Confident | 72 Ų | 72 | 106 Ų | 106 | 39% | 0.385 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -70 | -45.6 | 173.1 | -73.5 | -22.9 | 0 | 0 | 0 | 111.4 | T633 R634 M635 E639 R640 E641 | T633-N637 PolarHBondContact O-N 3.31Å; T633-N637 VanDerWaalsContact O-N 3.08Å; T633-N637 PolarHBondContact O-ND2 2.86Å; R634-N637 PolarHBondContact O-N 3.06Å; M635-N637 VanDerWaalsContact C-N 3.3Å; M635-N637 PolarHBondContact O-N 2.93Å; N637-E639 VanDerWaalsContact C-N 3.32Å; N637-E639 PolarHBondContact O-N 3.5Å; N637-R640 WeakPolarHBondContact O-CA 3.24Å; N637-R640 VanDerWaalsContact O-CB 3.31Å; N637-R640 WeakPolarHBondContact O-CB 3.22Å; N637-R640 PolarHBondContact O-N 3.31Å; N637-R640 VanDerWaalsContact O-N 3.12Å; N637-R640 VanDerWaalsContact OD1-CZ 3.26Å; N637-R640 PolarHBondContact OD1-NH1 2.9Å; N637-R640 PolarHBondContact OD1-NH2 3.33Å; N637-E641 PolarHBondContact O-N 3.43Å |
| 638 | N | 83.3 | Confident | 82.2 | Confident | 83 Ų | 83 | 101.6 Ų | 101.6 | 44% | 0.444 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.6 | -38.3 | 176.2 | -71 | -3.5 | 0 | 0 | 0 | 112.2 | R634 M635 R640 E641 L642 | R634-N638 WeakPolarHBondContact O-CB 3.41Å; R634-N638 PolarHBondContact O-N 3Å; R634-N638 PolarHBondContact O-OD1 3.49Å; M635-N638 PolarHBondContact O-N 2.9Å; N638-R640 VanDerWaalsContact C-N 3.33Å; N638-E641 PolarHBondContact O-N 3.02Å; N638-L642 VanDerWaalsContact O-CB 3.24Å; N638-L642 WeakPolarHBondContact O-CB 3.38Å; N638-L642 PolarHBondContact O-N 2.88Å |
| 639 | E | 81.9 | Confident | 82.4 | Confident | 127 Ų | 127 | 99.5 Ų | 99.5 | 59% | 0.593 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -65.2 | -37.5 | 175.1 | -76 | -167.7 | 144.9 | 0 | 0 | 111.8 | M635 N637 L642 S643 | M635-E639 WeakPolarHBondContact O-CG 3.45Å; M635-E639 PolarHBondContact O-N 3.1Å; N637-E639 VanDerWaalsContact C-N 3.32Å; N637-E639 PolarHBondContact O-N 3.5Å; E639-L642 PolarHBondContact O-N 3.06Å; E639-S643 WeakPolarHBondContact O-CB 3.3Å; E639-S643 PolarHBondContact O-N 2.98Å |
| 640 | R | 83.5 | Confident | 82.6 | Confident | 130 Ų | 130 | 98.2 Ų | 98.2 | 49% | 0.491 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.6 | -53.5 | 171.3 | -119.1 | 177.5 | -71.9 | 128.2 | 4.5 | 111.2 | E636 N637 N638 L642 S643 E644 | E636-R640 PolarHBondContact O-N 3.36Å; N637-R640 WeakPolarHBondContact O-CA 3.24Å; N637-R640 VanDerWaalsContact O-CB 3.31Å; N637-R640 WeakPolarHBondContact O-CB 3.22Å; N637-R640 PolarHBondContact O-N 3.31Å; N637-R640 VanDerWaalsContact O-N 3.12Å; N637-R640 VanDerWaalsContact OD1-CZ 3.26Å; N637-R640 PolarHBondContact OD1-NH1 2.9Å; N637-R640 PolarHBondContact OD1-NH2 3.33Å; N638-R640 VanDerWaalsContact C-N 3.33Å; R640-L642 VanDerWaalsContact C-N 3.31Å; R640-L642 PolarHBondContact O-N 3.46Å; R640-S643 WeakPolarHBondContact O-CB 3.45Å; R640-S643 PolarHBondContact O-N 3.49Å; R640-S643 VanDerWaalsContact O-N 3.08Å; R640-S643 PolarHBondContact O-OG 3.34Å; R640-E644 PolarHBondContact O-N 3.08Å |
| 641 | E | 84 | Confident | 82.7 | Confident | 122 Ų | 122 | 99.1 Ų | 99.1 | 57% | 0.57 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -58.4 | -40.8 | 177 | -69.5 | 178.9 | -172 | 0 | 0 | 112.3 | N637 N638 S643 E644 C645 | N637-E641 PolarHBondContact O-N 3.43Å; N638-E641 PolarHBondContact O-N 3.02Å; E641-S643 VanDerWaalsContact C-N 3.32Å; E641-S643 PolarHBondContact O-N 3.2Å; E641-E644 PolarHBondContact O-N 3.43Å; E641-C645 WeakPolarHBondContact O-CB 3.32Å; E641-C645 PolarHBondContact O-N 3.35Å |
| 642 | L | 81.2 | Confident | 83.1 | Confident | 93 Ų | 93 | 103.2 Ų | 103.2 | 49% | 0.487 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.1 | -34.8 | 177.1 | -163.4 | 105.7 | 0 | 0 | 0 | 111.8 | N638 E639 R640 R646 | N638-L642 VanDerWaalsContact O-CB 3.24Å; N638-L642 WeakPolarHBondContact O-CB 3.38Å; N638-L642 PolarHBondContact O-N 2.88Å; E639-L642 PolarHBondContact O-N 3.06Å; R640-L642 VanDerWaalsContact C-N 3.31Å; R640-L642 PolarHBondContact O-N 3.46Å; L642-R646 WeakPolarHBondContact O-CB 3.48Å; L642-R646 VanDerWaalsContact O-CG 3.31Å; L642-R646 WeakPolarHBondContact O-CG 3.34Å; L642-R646 PolarHBondContact O-N 2.96Å |
| 643 | S | 81.3 | Confident | 83.3 | Confident | 65 Ų | 65 | 105.6 Ų | 105.6 | 46% | 0.455 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -68.5 | -40.6 | 175.1 | 79.5 | 0 | 0 | 0 | 0 | 112.2 | E639 R640 E641 R646 L647 | E639-S643 WeakPolarHBondContact O-CB 3.3Å; E639-S643 PolarHBondContact O-N 2.98Å; R640-S643 WeakPolarHBondContact O-CB 3.45Å; R640-S643 PolarHBondContact O-N 3.49Å; R640-S643 VanDerWaalsContact O-N 3.08Å; R640-S643 PolarHBondContact O-OG 3.34Å; E641-S643 VanDerWaalsContact C-N 3.32Å; E641-S643 PolarHBondContact O-N 3.2Å; S643-R646 PolarHBondContact O-N 3.15Å; S643-L647 PolarHBondContact O-N 3.49Å |
| 644 | E | 86 | Confident | 83.4 | Confident | 131 Ų | 131 | 108.1 Ų | 108.1 | 61% | 0.612 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.2 | -43.2 | 173.4 | -68.6 | 179 | 179.3 | 0 | 0 | 111.3 | R640 E641 L647 S648 | R640-E644 PolarHBondContact O-N 3.08Å; E641-E644 PolarHBondContact O-N 3.43Å; E644-L647 WeakPolarHBondContact O-CB 3.4Å; E644-L647 PolarHBondContact O-N 3.11Å; E644-S648 PolarHBondContact O-N 3.22Å |
| 645 | C | 78.9 | Confident | 83.5 | Confident | 78 Ų | 78 | 107.8 Ų | 107.8 | 53% | 0.527 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.7 | -42.3 | 177.2 | -159.5 | 0 | 0 | 0 | 0 | 111.7 | E641 L647 S648 V649 | E641-C645 WeakPolarHBondContact O-CB 3.32Å; E641-C645 PolarHBondContact O-N 3.35Å; C645-L647 PolarHBondContact O-N 3.46Å; C645-S648 WeakPolarHBondContact O-CB 3.47Å; C645-S648 PolarHBondContact O-N 2.93Å; C645-V649 WeakPolarHBondContact O-CG2 3.34Å; C645-V649 PolarHBondContact O-N 2.7Å |
| 646 | R | 84.2 | Confident | 83.7 | Confident | 166 Ų | 166 | 107.8 Ų | 107.8 | 63% | 0.626 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -59.9 | -42.5 | 172.8 | -79.6 | 174.6 | 175.7 | 172.8 | 1.2 | 112.5 | L642 S643 S648 V649 Q650 | L642-R646 WeakPolarHBondContact O-CB 3.48Å; L642-R646 VanDerWaalsContact O-CG 3.31Å; L642-R646 WeakPolarHBondContact O-CG 3.34Å; L642-R646 PolarHBondContact O-N 2.96Å; S643-R646 PolarHBondContact O-N 3.15Å; R646-S648 VanDerWaalsContact C-N 3.31Å; R646-S648 PolarHBondContact O-N 3.01Å; R646-V649 PolarHBondContact O-N 3.23Å; R646-Q650 WeakPolarHBondContact O-CG 3.35Å; R646-Q650 PolarHBondContact O-N 3.35Å |
| 647 | L | 85.1 | Confident | 83.8 | Confident | 103 Ų | 103 | 107.8 Ų | 107.8 | 54% | 0.539 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.2 | -40.9 | 175.8 | -160.9 | 84.2 | 0 | 0 | 0 | 111.1 | S643 E644 C645 Q650 Q651 | S643-L647 PolarHBondContact O-N 3.49Å; E644-L647 WeakPolarHBondContact O-CB 3.4Å; E644-L647 PolarHBondContact O-N 3.11Å; C645-L647 PolarHBondContact O-N 3.46Å; L647-Q650 PolarHBondContact O-N 3.24Å; L647-Q651 WeakPolarHBondContact O-CG 3.36Å; L647-Q651 PolarHBondContact O-N 3.15Å; L647-Q651 VanDerWaalsContact O-N 3.09Å |
| 648 | S | 86.2 | Confident | 83.7 | Confident | 45 Ų | 45 | 107.8 Ų | 107.8 | 32% | 0.315 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.7 | -43.4 | 176.1 | -161.4 | 0 | 0 | 0 | 0 | 112.1 | E644 C645 R646 Q650 Q651 Y652 | E644-S648 PolarHBondContact O-N 3.22Å; C645-S648 WeakPolarHBondContact O-CB 3.47Å; C645-S648 PolarHBondContact O-N 2.93Å; R646-S648 VanDerWaalsContact C-N 3.31Å; R646-S648 PolarHBondContact O-N 3.01Å; S648-Q650 PolarHBondContact O-N 3.25Å; S648-Q651 WeakPolarHBondContact O-CB 3.4Å; S648-Q651 PolarHBondContact O-N 3.03Å; S648-Y652 WeakPolarHBondContact O-CD2 3.35Å; S648-Y652 PolarHBondContact O-N 3.22Å; S648-Y652 WeakPolarHBondContact OG-CE2 3.4Å |
| 649 | V | 81.1 | Confident | 83.7 | Confident | 78 Ų | 78 | 108.9 Ų | 108.9 | 47% | 0.473 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -59.2 | -44.7 | 174.6 | 170.9 | 0 | 0 | 0 | 0 | 111.4 | C645 R646 Q651 Y652 E653 | C645-V649 WeakPolarHBondContact O-CG2 3.34Å; C645-V649 PolarHBondContact O-N 2.7Å; R646-V649 PolarHBondContact O-N 3.23Å; V649-Q651 VanDerWaalsContact C-N 3.32Å; V649-Q651 PolarHBondContact O-N 3.47Å; V649-Y652 CarbonylContact O-C 3.52Å; V649-Y652 PolarHBondContact O-N 3.17Å; V649-Y652 VanDerWaalsContact O-N 3.1Å; V649-E653 PolarHBondContact O-N 3.04Å |
| 650 | Q | 83.7 | Confident | 83.8 | Confident | 111 Ų | 111 | 107.1 Ų | 107.1 | 52% | 0.519 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.7 | -38.4 | 176.2 | -72.4 | 178 | -5 | 0 | 0 | 112.4 | R646 L647 S648 E653 I654 | R646-Q650 WeakPolarHBondContact O-CG 3.35Å; R646-Q650 PolarHBondContact O-N 3.35Å; L647-Q650 PolarHBondContact O-N 3.24Å; S648-Q650 PolarHBondContact O-N 3.25Å; Q650-E653 PolarHBondContact O-N 3.43Å; Q650-I654 VanDerWaalsContact O-CG1 3.31Å; Q650-I654 WeakPolarHBondContact O-CG1 3.39Å; Q650-I654 PolarHBondContact O-N 3.23Å |
| 651 | Q | 84.1 | Confident | 83.7 | Confident | 119 Ų | 119 | 103.7 Ų | 103.7 | 56% | 0.556 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.7 | -40.4 | 172.9 | -69.7 | 175.6 | 10.2 | 0 | 0 | 112 | L647 S648 V649 R655 | L647-Q651 WeakPolarHBondContact O-CG 3.36Å; L647-Q651 PolarHBondContact O-N 3.15Å; L647-Q651 VanDerWaalsContact O-N 3.09Å; S648-Q651 WeakPolarHBondContact O-CB 3.4Å; S648-Q651 PolarHBondContact O-N 3.03Å; V649-Q651 VanDerWaalsContact C-N 3.32Å; V649-Q651 PolarHBondContact O-N 3.47Å; Q651-R655 WeakPolarHBondContact O-CB 3.47Å; Q651-R655 PolarHBondContact O-N 3.41Å; Q651-R655 VanDerWaalsContact O-N 3.11Å |
| 652 | Y | 86 | Confident | 83.8 | Confident | 152 Ų | 152 | 100.5 Ų | 100.5 | 60% | 0.596 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -68.4 | -38 | 175.1 | -73.4 | -62.8 | 0 | 0 | 0 | 112.9 | S648 V649 R655 M656 | S648-Y652 WeakPolarHBondContact O-CD2 3.35Å; S648-Y652 PolarHBondContact O-N 3.22Å; S648-Y652 WeakPolarHBondContact OG-CE2 3.4Å; V649-Y652 CarbonylContact O-C 3.52Å; V649-Y652 PolarHBondContact O-N 3.17Å; V649-Y652 VanDerWaalsContact O-N 3.1Å; Y652-R655 PolarHBondContact O-N 2.84Å; Y652-M656 VanDerWaalsContact O-CB 3.31Å; Y652-M656 WeakPolarHBondContact O-CB 3.44Å; Y652-M656 PolarHBondContact O-N 3.3Å |
| 653 | E | 84.8 | Confident | 84 | Confident | 103 Ų | 103 | 100.4 Ų | 100.4 | 48% | 0.481 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.9 | -46.4 | 174.1 | -79.4 | -172.4 | 124.8 | 0 | 0 | 112 | V649 Q650 R655 M656 N657 | V649-E653 PolarHBondContact O-N 3.04Å; Q650-E653 PolarHBondContact O-N 3.43Å; E653-R655 VanDerWaalsContact C-N 3.28Å; E653-R655 PolarHBondContact O-N 2.86Å; E653-M656 PolarHBondContact O-N 3.31Å; E653-N657 WeakPolarHBondContact O-CB 3.48Å; E653-N657 VanDerWaalsContact O-CG 3.3Å; E653-N657 PolarHBondContact O-N 3.44Å; E653-N657 PolarHBondContact O-ND2 2.86Å; E653-N657 VanDerWaalsContact O-ND2 3.16Å |
| 654 | I | 84.6 | Confident | 84.1 | Confident | 122 Ų | 122 | 103.9 Ų | 103.9 | 63% | 0.626 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -59.4 | -42.6 | 176.3 | -67.8 | 165.6 | 0 | 0 | 0 | 110.4 | Q650 N657 S658 | Q650-I654 VanDerWaalsContact O-CG1 3.31Å; Q650-I654 WeakPolarHBondContact O-CG1 3.39Å; Q650-I654 PolarHBondContact O-N 3.23Å; I654-N657 PolarHBondContact O-N 3Å; I654-S658 PolarHBondContact O-N 3.29Å |
| 655 | R | 85.7 | Confident | 84 | Confident | 168 Ų | 168 | 102.8 Ų | 102.8 | 63% | 0.634 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -69.8 | -36.2 | 179.1 | -157.5 | 174.6 | -164.8 | 167.5 | 3.6 | 112.8 | Q651 Y652 E653 S658 L659 | Q651-R655 WeakPolarHBondContact O-CB 3.47Å; Q651-R655 PolarHBondContact O-N 3.41Å; Q651-R655 VanDerWaalsContact O-N 3.11Å; Y652-R655 PolarHBondContact O-N 2.84Å; E653-R655 VanDerWaalsContact C-N 3.28Å; E653-R655 PolarHBondContact O-N 2.86Å; R655-S658 PolarHBondContact O-OG 2.99Å; R655-S658 VanDerWaalsContact O-OG 3.1Å; R655-L659 WeakPolarHBondContact O-CB 3.44Å; R655-L659 WeakPolarHBondContact O-CG 3.49Å; R655-L659 PolarHBondContact O-N 3.42Å |
| 656 | M | 84.1 | Confident | 84.2 | Confident | 102 Ų | 102 | 103.6 Ų | 103.6 | 50% | 0.502 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.5 | -44.1 | 173 | -176.9 | -178.8 | 71.1 | 0 | 0 | 110.7 | Y652 E653 S658 L659 L660 | Y652-M656 VanDerWaalsContact O-CB 3.31Å; Y652-M656 WeakPolarHBondContact O-CB 3.44Å; Y652-M656 PolarHBondContact O-N 3.3Å; E653-M656 PolarHBondContact O-N 3.31Å; M656-S658 PolarHBondContact O-N 3.46Å; M656-L659 PolarHBondContact O-N 3.18Å; M656-L660 HydrophobicContact CG-CD1 4.17Å; M656-L660 WeakPolarHBondContact O-CG 3.44Å; M656-L660 PolarHBondContact O-N 3.35Å |
| 657 | N | 84.2 | Confident | 84 | Confident | 93 Ų | 93 | 100.9 Ų | 100.9 | 50% | 0.497 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.9 | -38.5 | 176.9 | -73.1 | -34.2 | 0 | 0 | 0 | 112.1 | E653 I654 L660 A661 | E653-N657 WeakPolarHBondContact O-CB 3.48Å; E653-N657 VanDerWaalsContact O-CG 3.3Å; E653-N657 PolarHBondContact O-N 3.44Å; E653-N657 PolarHBondContact O-ND2 2.86Å; E653-N657 VanDerWaalsContact O-ND2 3.16Å; I654-N657 PolarHBondContact O-N 3Å; N657-L660 PolarHBondContact O-N 2.98Å; N657-A661 PolarHBondContact O-N 3.05Å |
| 658 | S | 84.2 | Confident | 84 | Confident | 73 Ų | 73 | 102.7 Ų | 102.7 | 51% | 0.51 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -67.4 | -37.1 | 173.7 | 84.6 | 0 | 0 | 0 | 0 | 112.4 | I654 R655 M656 A661 S662 | I654-S658 PolarHBondContact O-N 3.29Å; R655-S658 PolarHBondContact O-OG 2.99Å; R655-S658 VanDerWaalsContact O-OG 3.1Å; M656-S658 PolarHBondContact O-N 3.46Å; S658-A661 PolarHBondContact O-N 3.02Å; S658-S662 PolarHBondContact O-N 3.38Å; S658-S662 VanDerWaalsContact O-N 3.07Å |
| 659 | L | 83.3 | Confident | 83.8 | Confident | 105 Ų | 105 | 106.2 Ų | 106.2 | 55% | 0.55 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66.4 | -43.4 | 174.7 | -76.9 | 167.4 | 0 | 0 | 0 | 111.7 | R655 M656 A661 S662 L663 | R655-L659 WeakPolarHBondContact O-CB 3.44Å; R655-L659 WeakPolarHBondContact O-CG 3.49Å; R655-L659 PolarHBondContact O-N 3.42Å; M656-L659 PolarHBondContact O-N 3.18Å; L659-A661 VanDerWaalsContact C-N 3.3Å; L659-A661 PolarHBondContact O-N 3.5Å; L659-S662 PolarHBondContact O-N 3.02Å; L659-S662 PolarHBondContact O-OG 3.12Å; L659-L663 WeakPolarHBondContact O-CB 3.49Å; L659-L663 PolarHBondContact O-N 3.42Å |
| 660 | L | 83.7 | Confident | 83.9 | Confident | 90 Ų | 90 | 107.9 Ų | 107.9 | 47% | 0.471 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -60.8 | -37 | 174.7 | -73.7 | 169.7 | 0 | 0 | 0 | 112.3 | M656 N657 L663 K664 | M656-L660 HydrophobicContact CG-CD1 4.17Å; M656-L660 WeakPolarHBondContact O-CG 3.44Å; M656-L660 PolarHBondContact O-N 3.35Å; N657-L660 PolarHBondContact O-N 2.98Å; L660-L663 PolarHBondContact O-N 3.21Å; L660-K664 WeakPolarHBondContact O-CG 3.46Å; L660-K664 PolarHBondContact O-N 2.88Å; L660-K664 VanDerWaalsContact O-N 3.08Å |
| 661 | A | 81.9 | Confident | 83.7 | Confident | 59 Ų | 59 | 110.3 Ų | 110.3 | 49% | 0.488 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.7 | -46.1 | 173 | 0 | 0 | 0 | 0 | 0 | 112 | N657 S658 L659 L663 K664 E665 | N657-A661 PolarHBondContact O-N 3.05Å; S658-A661 PolarHBondContact O-N 3.02Å; L659-A661 VanDerWaalsContact C-N 3.3Å; L659-A661 PolarHBondContact O-N 3.5Å; A661-L663 VanDerWaalsContact C-N 3.32Å; A661-L663 PolarHBondContact O-N 3.45Å; A661-K664 PolarHBondContact O-N 3.24Å; A661-E665 PolarHBondContact O-N 3.49Å; A661-E665 VanDerWaalsContact O-N 3.16Å |
| 662 | S | 85.1 | Confident | 83.6 | Confident | 55 Ų | 55 | 110.1 Ų | 110.1 | 39% | 0.385 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -66.2 | -32.6 | 176.3 | 69 | 0 | 0 | 0 | 0 | 113.3 | S658 L659 E665 V666 | S658-S662 PolarHBondContact O-N 3.38Å; S658-S662 VanDerWaalsContact O-N 3.07Å; L659-S662 PolarHBondContact O-N 3.02Å; L659-S662 PolarHBondContact O-OG 3.12Å; S662-E665 PolarHBondContact O-N 3.11Å; S662-V666 WeakPolarHBondContact O-CG2 3.37Å; S662-V666 PolarHBondContact O-N 2.92Å |
| 663 | L | 85.6 | Confident | 83.3 | Confident | 91 Ų | 91 | 108.1 Ų | 108.1 | 48% | 0.476 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -70.4 | -38.5 | 178.7 | -164.5 | 141.1 | 0 | 0 | 0 | 110.7 | L659 L660 A661 V666 E667 | L659-L663 WeakPolarHBondContact O-CB 3.49Å; L659-L663 PolarHBondContact O-N 3.42Å; L660-L663 PolarHBondContact O-N 3.21Å; A661-L663 VanDerWaalsContact C-N 3.32Å; A661-L663 PolarHBondContact O-N 3.45Å; L663-V666 PolarHBondContact O-N 3.47Å; L663-E667 HydrophobicContact CD2-CG 4.12Å; L663-E667 WeakPolarHBondContact CD2-OE1 3.33Å; L663-E667 WeakPolarHBondContact O-CG 3.47Å; L663-E667 PolarHBondContact O-N 3.27Å |
| 664 | K | 83.3 | Confident | 83 | Confident | 137 Ų | 137 | 107.5 Ų | 107.5 | 60% | 0.596 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -60.7 | -43.8 | 169.3 | -76.1 | -175.8 | 177.1 | -174.1 | 0 | 113.1 | L660 A661 V666 E667 E668 | L660-K664 WeakPolarHBondContact O-CG 3.46Å; L660-K664 PolarHBondContact O-N 2.88Å; L660-K664 VanDerWaalsContact O-N 3.08Å; A661-K664 PolarHBondContact O-N 3.24Å; K664-V666 PolarHBondContact O-N 3Å; K664-E667 PolarHBondContact O-N 3.17Å; K664-E668 WeakPolarHBondContact O-CG 3.23Å; K664-E668 PolarHBondContact O-N 3.47Å |
| 665 | E | 83.2 | Confident | 82.8 | Confident | 109 Ų | 109 | 106.2 Ų | 106.2 | 51% | 0.509 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -58.9 | -38.1 | 173.5 | -88.5 | -160.7 | -178.5 | 0 | 0 | 112.3 | A661 S662 K669 | A661-E665 PolarHBondContact O-N 3.49Å; A661-E665 VanDerWaalsContact O-N 3.16Å; S662-E665 PolarHBondContact O-N 3.11Å; E665-K669 WeakPolarHBondContact O-CB 3.45Å; E665-K669 WeakPolarHBondContact O-CD 3.4Å; E665-K669 VanDerWaalsContact O-CG 3.23Å; E665-K669 WeakPolarHBondContact O-CG 3.35Å; E665-K669 PolarHBondContact O-N 3.38Å; E665-K669 IonicContact OE2-NZ 2.78Å; E665-K669 PolarHBondContact OE2-NZ 2.88Å |
| 666 | V | 84.8 | Confident | 82.4 | Confident | 94 Ų | 94 | 102.9 Ų | 102.9 | 57% | 0.57 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -71.2 | -37.6 | 177.2 | 171.2 | 0 | 0 | 0 | 0 | 111.2 | S662 L663 K664 K669 K670 | S662-V666 WeakPolarHBondContact O-CG2 3.37Å; S662-V666 PolarHBondContact O-N 2.92Å; L663-V666 PolarHBondContact O-N 3.47Å; K664-V666 PolarHBondContact O-N 3Å; V666-K669 PolarHBondContact O-N 2.96Å; V666-K670 VanDerWaalsContact O-CB 3.26Å; V666-K670 WeakPolarHBondContact O-CB 3.39Å; V666-K670 PolarHBondContact O-N 3.32Å |
| 667 | E | 80.3 | Confident | 82.2 | Confident | 110 Ų | 110 | 101.8 Ų | 101.8 | 51% | 0.514 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.3 | -41.6 | 173.8 | -74.1 | 176.4 | 153.8 | 0 | 0 | 112.3 | L663 K664 K670 R671 | L663-E667 HydrophobicContact CD2-CG 4.12Å; L663-E667 WeakPolarHBondContact CD2-OE1 3.33Å; L663-E667 WeakPolarHBondContact O-CG 3.47Å; L663-E667 PolarHBondContact O-N 3.27Å; K664-E667 PolarHBondContact O-N 3.17Å; E667-K670 PolarHBondContact O-N 2.93Å; E667-R671 WeakPolarHBondContact O-CB 3.31Å; E667-R671 PolarHBondContact O-N 3.49Å |
| 668 | E | 83.4 | Confident | 81.9 | Confident | 140 Ų | 140 | 102.2 Ų | 102.2 | 65% | 0.654 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64 | -43.8 | 174.2 | -73.8 | 178 | 175.7 | 0 | 0 | 111.6 | K664 R671 H672 | K664-E668 WeakPolarHBondContact O-CG 3.23Å; K664-E668 PolarHBondContact O-N 3.47Å; E668-R671 PolarHBondContact O-N 2.93Å; E668-H672 WeakPolarHBondContact O-CB 3.45Å; E668-H672 PolarHBondContact O-N 3.02Å |
| 669 | K | 83 | Confident | 81.5 | Confident | 119 Ų | 119 | 101.9 Ų | 101.9 | 52% | 0.517 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.2 | -41.1 | 173.9 | -73 | 162.4 | -172.7 | 155.6 | 0 | 112 | E665 V666 H672 L673 | E665-K669 WeakPolarHBondContact O-CB 3.45Å; E665-K669 WeakPolarHBondContact O-CD 3.4Å; E665-K669 VanDerWaalsContact O-CG 3.23Å; E665-K669 WeakPolarHBondContact O-CG 3.35Å; E665-K669 PolarHBondContact O-N 3.38Å; E665-K669 IonicContact OE2-NZ 2.78Å; E665-K669 PolarHBondContact OE2-NZ 2.88Å; V666-K669 PolarHBondContact O-N 2.96Å; K669-H672 PolarHBondContact O-N 3.03Å; K669-L673 WeakPolarHBondContact O-CG 3.31Å; K669-L673 PolarHBondContact O-N 2.99Å; K669-L673 VanDerWaalsContact O-N 3.08Å |
| 670 | K | 83.1 | Confident | 81.1 | Confident | 113 Ų | 113 | 101.4 Ų | 101.4 | 49% | 0.491 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.5 | -48.8 | 175 | 177 | -178.9 | 172 | -74.9 | 0 | 110.7 | V666 E667 H672 L673 E674 | V666-K670 VanDerWaalsContact O-CB 3.26Å; V666-K670 WeakPolarHBondContact O-CB 3.39Å; V666-K670 PolarHBondContact O-N 3.32Å; E667-K670 PolarHBondContact O-N 2.93Å; K670-H672 VanDerWaalsContact C-N 3.33Å; K670-H672 PolarHBondContact O-N 3.26Å; K670-L673 CarbonylContact O-C 3.6Å; K670-L673 WeakPolarHBondContact O-CB 3.37Å; K670-L673 PolarHBondContact O-N 3.24Å; K670-L673 VanDerWaalsContact O-N 3.14Å; K670-E674 WeakPolarHBondContact CE-OE1 3.34Å; K670-E674 HydrophobicContact CG-CG 4.5Å; K670-E674 IonicContact NZ-OE1 2.87Å; K670-E674 PolarHBondContact NZ-OE1 2.83Å; K670-E674 IonicContact NZ-OE2 2.6Å; K670-E674 PolarHBondContact NZ-OE2 3.04Å; K670-E674 WeakPolarHBondContact O-CG 3.24Å; K670-E674 PolarHBondContact O-N 3.01Å |
| 671 | R | 79.8 | Confident | 80.7 | Confident | 162 Ų | 162 | 101.6 Ų | 101.6 | 61% | 0.611 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -60.1 | -41.7 | 178.3 | -179.4 | 180 | 172 | 160.3 | 5.3 | 112 | E667 E668 L673 E674 E675 | E667-R671 WeakPolarHBondContact O-CB 3.31Å; E667-R671 PolarHBondContact O-N 3.49Å; E668-R671 PolarHBondContact O-N 2.93Å; R671-L673 VanDerWaalsContact C-N 3.32Å; R671-L673 PolarHBondContact O-N 2.66Å; R671-E674 PolarHBondContact O-N 2.85Å; R671-E675 IonicContact CZ-OE1 2.66Å; R671-E675 IonicContact NE-OE1 2.8Å; R671-E675 PolarHBondContact NE-OE1 2.83Å; R671-E675 IonicContact NH2-OE1 3.14Å; R671-E675 WeakPolarHBondContact O-CG 3.21Å; R671-E675 PolarHBondContact O-N 2.96Å |
| 672 | H | 81.7 | Confident | 80.4 | Confident | 116 Ų | 116 | 104.7 Ų | 104.7 | 54% | 0.537 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.5 | -35 | 176.5 | -170.6 | 55.3 | 0 | 0 | 0 | 112.7 | E668 K669 K670 M676 | E668-H672 WeakPolarHBondContact O-CB 3.45Å; E668-H672 PolarHBondContact O-N 3.02Å; K669-H672 PolarHBondContact O-N 3.03Å; K670-H672 VanDerWaalsContact C-N 3.33Å; K670-H672 PolarHBondContact O-N 3.26Å; H672-M676 WeakPolarHBondContact O-CB 3.24Å; H672-M676 PolarHBondContact O-N 3.34Å; H672-M676 VanDerWaalsContact O-N 3.09Å |
| 673 | L | 79.8 | Confident | 79.7 | Confident | 109 Ų | 109 | 107 Ų | 107 | 57% | 0.571 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -69.8 | -36 | 171.3 | -70.4 | 169.8 | 0 | 0 | 0 | 112.3 | K669 K670 R671 M676 V677 | K669-L673 WeakPolarHBondContact O-CG 3.31Å; K669-L673 PolarHBondContact O-N 2.99Å; K669-L673 VanDerWaalsContact O-N 3.08Å; K670-L673 CarbonylContact O-C 3.6Å; K670-L673 WeakPolarHBondContact O-CB 3.37Å; K670-L673 PolarHBondContact O-N 3.24Å; K670-L673 VanDerWaalsContact O-N 3.14Å; R671-L673 VanDerWaalsContact C-N 3.32Å; R671-L673 PolarHBondContact O-N 2.66Å; L673-M676 PolarHBondContact O-N 2.9Å; L673-V677 WeakPolarHBondContact O-CG2 3.21Å; L673-V677 PolarHBondContact O-N 3.35Å |
| 674 | E | 78.5 | Confident | 78.7 | Confident | 90 Ų | 90 | 105.4 Ų | 105.4 | 42% | 0.421 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65 | -46.4 | 173.7 | -72.5 | 173.8 | 141.7 | 0 | 0 | 111.2 | K670 R671 M676 V677 D678 | K670-E674 WeakPolarHBondContact CE-OE1 3.34Å; K670-E674 HydrophobicContact CG-CG 4.5Å; K670-E674 IonicContact NZ-OE1 2.87Å; K670-E674 PolarHBondContact NZ-OE1 2.83Å; K670-E674 IonicContact NZ-OE2 2.6Å; K670-E674 PolarHBondContact NZ-OE2 3.04Å; K670-E674 WeakPolarHBondContact O-CG 3.24Å; K670-E674 PolarHBondContact O-N 3.01Å; R671-E674 PolarHBondContact O-N 2.85Å; E674-M676 VanDerWaalsContact C-N 3.25Å; E674-M676 PolarHBondContact O-N 2.83Å; E674-V677 CarbonylContact O-C 3.59Å; E674-V677 PolarHBondContact O-N 3.48Å; E674-V677 VanDerWaalsContact O-N 3.1Å; E674-D678 WeakPolarHBondContact O-CB 3.27Å; E674-D678 PolarHBondContact O-N 2.92Å |
| 675 | E | 79.5 | Confident | 78 | Confident | 96 Ų | 96 | 101.3 Ų | 101.3 | 45% | 0.449 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59 | -35.4 | 173.6 | -72.1 | 168.1 | -174.2 | 0 | 0 | 112.1 | R671 S679 | R671-E675 IonicContact CZ-OE1 2.66Å; R671-E675 IonicContact NE-OE1 2.8Å; R671-E675 PolarHBondContact NE-OE1 2.83Å; R671-E675 IonicContact NH2-OE1 3.14Å; R671-E675 WeakPolarHBondContact O-CG 3.21Å; R671-E675 PolarHBondContact O-N 2.96Å; E675-S679 WeakPolarHBondContact O-CB 3.24Å; E675-S679 PolarHBondContact O-N 3.08Å |
| 676 | M | 79 | Confident | 77.3 | Confident | 97 Ų | 97 | 102.9 Ų | 102.9 | 48% | 0.478 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -72.1 | -37.9 | 174.5 | -167.9 | 115.1 | 57 | 0 | 0 | 112.8 | H672 L673 E674 L680 | H672-M676 WeakPolarHBondContact O-CB 3.24Å; H672-M676 PolarHBondContact O-N 3.34Å; H672-M676 VanDerWaalsContact O-N 3.09Å; L673-M676 PolarHBondContact O-N 2.9Å; E674-M676 VanDerWaalsContact C-N 3.25Å; E674-M676 PolarHBondContact O-N 2.83Å; M676-L680 PolarHBondContact O-N 3.49Å |
| 677 | V | 79.5 | Confident | 76.3 | Confident | 79 Ų | 79 | 103.5 Ų | 103.5 | 48% | 0.479 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.2 | -39.5 | 173.6 | 165.4 | 0 | 0 | 0 | 0 | 111 | L673 E674 L680 N681 | L673-V677 WeakPolarHBondContact O-CG2 3.21Å; L673-V677 PolarHBondContact O-N 3.35Å; E674-V677 CarbonylContact O-C 3.59Å; E674-V677 PolarHBondContact O-N 3.48Å; E674-V677 VanDerWaalsContact O-N 3.1Å; V677-L680 PolarHBondContact O-N 3.4Å; V677-N681 VanDerWaalsContact O-CB 3.32Å; V677-N681 WeakPolarHBondContact O-CB 3.44Å; V677-N681 PolarHBondContact O-N 3.42Å; V677-N681 PolarHBondContact O-ND2 3.18Å |
| 678 | D | 76.7 | Confident | 75.5 | Confident | 102 Ų | 102 | 106 Ų | 106 | 55% | 0.545 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.8 | -40.3 | 176.2 | -75.3 | -19.8 | 0 | 0 | 0 | 111.5 | E674 N681 E682 | E674-D678 WeakPolarHBondContact O-CB 3.27Å; E674-D678 PolarHBondContact O-N 2.92Å; D678-N681 PolarHBondContact O-N 3.49Å; D678-E682 WeakPolarHBondContact O-CB 3.2Å; D678-E682 PolarHBondContact O-N 3.14Å |
| 679 | S | 77.1 | Confident | 74.4 | Confident | 67 Ų | 67 | 101.8 Ų | 101.8 | 47% | 0.469 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58 | -47.3 | 170.6 | 178.9 | 0 | 0 | 0 | 0 | 112.4 | E675 E682 E683 | E675-S679 WeakPolarHBondContact O-CB 3.24Å; E675-S679 PolarHBondContact O-N 3.08Å; S679-E682 PolarHBondContact O-N 3.43Å; S679-E683 PolarHBondContact O-N 3.43Å |
| 680 | L | 73.4 | Confident | 73 | Confident | 95 Ų | 95 | 103 Ų | 103 | 50% | 0.497 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.4 | -38.1 | 175.4 | -93.5 | 152.6 | 0 | 0 | 0 | 112.6 | M676 V677 C684 | M676-L680 PolarHBondContact O-N 3.49Å; V677-L680 PolarHBondContact O-N 3.4Å; L680-C684 WeakPolarHBondContact O-CB 3.39Å; L680-C684 PolarHBondContact O-N 2.87Å; L680-C684 PolarHBondContact O-SG 2.72Å |
| 681 | N | 76.5 | Confident | 71.3 | Confident | 93 Ų | 93 | 103.6 Ų | 103.6 | 50% | 0.497 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -69.1 | -37.5 | 175.4 | -82.2 | -33 | 0 | 0 | 0 | 111.8 | V677 D678 C684 A685 | V677-N681 VanDerWaalsContact O-CB 3.32Å; V677-N681 WeakPolarHBondContact O-CB 3.44Å; V677-N681 PolarHBondContact O-N 3.42Å; V677-N681 PolarHBondContact O-ND2 3.18Å; D678-N681 PolarHBondContact O-N 3.49Å; N681-C684 CarbonylContact O-C 3.59Å; N681-C684 PolarHBondContact O-N 2.85Å; N681-A685 WeakPolarHBondContact O-CB 3.38Å; N681-A685 PolarHBondContact O-N 2.99Å |
| 682 | E | 74.7 | Confident | 70.1 | Confident | 125 Ų | 125 | 102.1 Ų | 102.1 | 58% | 0.584 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -69.5 | -35.7 | 176 | -170.1 | -177.8 | -140.9 | 0 | 0 | 111.4 | D678 S679 A685 R686 | D678-E682 WeakPolarHBondContact O-CB 3.2Å; D678-E682 PolarHBondContact O-N 3.14Å; S679-E682 PolarHBondContact O-N 3.43Å; E682-A685 PolarHBondContact O-N 2.79Å; E682-R686 WeakPolarHBondContact O-CB 3.39Å; E682-R686 PolarHBondContact O-N 3.39Å; E682-R686 IonicContact OE2-NH2 2.95Å |
| 683 | E | 70.4 | Confident | 68.9 | Low | 103 Ų | 103 | 102.5 Ų | 102.5 | 48% | 0.481 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.6 | -47.2 | 170.3 | -171 | 168.4 | -148.9 | 0 | 0 | 111.4 | S679 A685 R686 L687 | S679-E683 PolarHBondContact O-N 3.43Å; E683-A685 VanDerWaalsContact C-N 3.28Å; E683-A685 PolarHBondContact O-N 3.18Å; E683-R686 WeakPolarHBondContact O-CB 3.4Å; E683-R686 PolarHBondContact O-N 2.86Å; E683-L687 WeakPolarHBondContact O-CG 3.44Å; E683-L687 PolarHBondContact O-N 3.5Å |
| 684 | C | 65.9 | Low | 67.4 | Low | 57 Ų | 57 | 102.9 Ų | 102.9 | 39% | 0.385 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -59.7 | -36.8 | 172 | -69.8 | 0 | 0 | 0 | 0 | 112.7 | L680 N681 L687 R688 | L680-C684 WeakPolarHBondContact O-CB 3.39Å; L680-C684 PolarHBondContact O-N 2.87Å; L680-C684 PolarHBondContact O-SG 2.72Å; N681-C684 CarbonylContact O-C 3.59Å; N681-C684 PolarHBondContact O-N 2.85Å; C684-L687 PolarHBondContact O-N 2.89Å; C684-R688 WeakPolarHBondContact O-CB 3.48Å; C684-R688 WeakPolarHBondContact O-CG 3.4Å; C684-R688 PolarHBondContact O-N 3.1Å |
| 685 | A | 68.4 | Low | 65.5 | Low | 52 Ų | 52 | 105.4 Ų | 105.4 | 43% | 0.43 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -72.3 | -36.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | N681 E682 E683 R688 A689 | N681-A685 WeakPolarHBondContact O-CB 3.38Å; N681-A685 PolarHBondContact O-N 2.99Å; E682-A685 PolarHBondContact O-N 2.79Å; E683-A685 VanDerWaalsContact C-N 3.28Å; E683-A685 PolarHBondContact O-N 3.18Å; A685-R688 PolarHBondContact O-N 2.85Å; A685-A689 WeakPolarHBondContact O-CB 3.33Å; A685-A689 PolarHBondContact O-N 2.89Å |
| 686 | R | 67.1 | Low | 64 | Low | 142 Ų | 142 | 104.9 Ų | 104.9 | 54% | 0.536 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -60.8 | -44.8 | 169.9 | -101.5 | -179.9 | -78 | 144.1 | -4.7 | 111.6 | E682 E683 A689 Q690 | E682-R686 WeakPolarHBondContact O-CB 3.39Å; E682-R686 PolarHBondContact O-N 3.39Å; E682-R686 IonicContact OE2-NH2 2.95Å; E683-R686 WeakPolarHBondContact O-CB 3.4Å; E683-R686 PolarHBondContact O-N 2.86Å; R686-A689 PolarHBondContact O-N 2.89Å; R686-Q690 WeakPolarHBondContact O-CG 3.4Å; R686-Q690 PolarHBondContact O-N 3.41Å |
| 687 | L | 64.1 | Low | 62.2 | Low | 106 Ų | 106 | 105.3 Ų | 105.3 | 56% | 0.555 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -62.7 | -46.7 | 176.1 | -68.2 | 168.7 | 0 | 0 | 0 | 111.4 | E683 C684 A689 Q690 E691 | E683-L687 WeakPolarHBondContact O-CG 3.44Å; E683-L687 PolarHBondContact O-N 3.5Å; C684-L687 PolarHBondContact O-N 2.89Å; L687-A689 VanDerWaalsContact C-N 3.32Å; L687-A689 PolarHBondContact O-N 2.87Å; L687-Q690 PolarHBondContact O-N 3.48Å; L687-E691 PolarHBondContact O-N 3.38Å |
| 688 | R | 64.7 | Low | 60.2 | Low | 164 Ų | 164 | 107.2 Ų | 107.2 | 62% | 0.619 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -67.4 | -26.8 | 174.3 | -74.8 | 177.3 | 177.2 | 159.8 | 1.8 | 114.1 | C684 A685 E691 K692 | C684-R688 WeakPolarHBondContact O-CB 3.48Å; C684-R688 WeakPolarHBondContact O-CG 3.4Å; C684-R688 PolarHBondContact O-N 3.1Å; A685-R688 PolarHBondContact O-N 2.85Å; R688-E691 PolarHBondContact O-N 2.98Å; R688-K692 WeakPolarHBondContact O-CB 3.44Å; R688-K692 WeakPolarHBondContact O-CG 3.29Å; R688-K692 PolarHBondContact O-N 3.4Å |
| 689 | A | 59.2 | Low | 58.2 | Low | 51 Ų | 51 | 107 Ų | 107 | 42% | 0.421 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -74.6 | -37.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | A685 R686 L687 E691 K692 V693 | A685-A689 WeakPolarHBondContact O-CB 3.33Å; A685-A689 PolarHBondContact O-N 2.89Å; R686-A689 PolarHBondContact O-N 2.89Å; L687-A689 VanDerWaalsContact C-N 3.32Å; L687-A689 PolarHBondContact O-N 2.87Å; A689-E691 VanDerWaalsContact C-N 3.29Å; A689-E691 PolarHBondContact O-N 2.8Å; A689-K692 PolarHBondContact O-N 3.19Å; A689-V693 WeakPolarHBondContact O-CB 3.31Å; A689-V693 WeakPolarHBondContact O-CG2 3.26Å; A689-V693 PolarHBondContact O-N 2.92Å |
| 690 | Q | 53.5 | Low | 56.1 | Low | 143 Ų | 143 | 108.4 Ų | 108.4 | 67% | 0.668 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -62 | -37.8 | 169 | -73.6 | 179.9 | -16.9 | 0 | 0 | 111.7 | R686 L687 | R686-Q690 WeakPolarHBondContact O-CG 3.4Å; R686-Q690 PolarHBondContact O-N 3.41Å; L687-Q690 PolarHBondContact O-N 3.48Å |
| 691 | E | 48.1 | Very low | 54.6 | Low | 127 Ų | 127 | 110 Ų | 110 | 59% | 0.593 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -65.2 | -49.4 | 172.9 | -165.8 | 174.4 | -142 | 0 | 0 | 111.8 | L687 R688 A689 V694 | L687-E691 PolarHBondContact O-N 3.38Å; R688-E691 PolarHBondContact O-N 2.98Å; A689-E691 VanDerWaalsContact C-N 3.29Å; A689-E691 PolarHBondContact O-N 2.8Å; E691-V694 WeakPolarHBondContact O-CB 3.39Å; E691-V694 PolarHBondContact O-N 3.46Å |
| 692 | K | 55 | Low | 52.6 | Low | 131 Ų | 131 | 110.1 Ų | 110.1 | 57% | 0.57 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -76.9 | -21.3 | -176.6 | -73.5 | -172.4 | 176.2 | -169.7 | 0 | 115.7 | R688 A689 V694 E695 A696 | R688-K692 WeakPolarHBondContact O-CB 3.44Å; R688-K692 WeakPolarHBondContact O-CG 3.29Å; R688-K692 PolarHBondContact O-N 3.4Å; A689-K692 PolarHBondContact O-N 3.19Å; K692-V694 PolarHBondContact O-N 3.46Å; K692-E695 PolarHBondContact O-N 2.95Å; K692-E695 VanDerWaalsContact O-N 3.12Å; K692-A696 VanDerWaalsContact O-CB 3.31Å; K692-A696 WeakPolarHBondContact O-CB 3.4Å; K692-A696 PolarHBondContact O-N 2.83Å |
| 693 | V | 55.7 | Low | 51.3 | Low | 124 Ų | 124 | 110 Ų | 110 | 75% | 0.752 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -67.8 | -18.4 | 170.6 | 166.8 | 0 | 0 | 0 | 0 | 111.4 | A689 | A689-V693 WeakPolarHBondContact O-CB 3.31Å; A689-V693 WeakPolarHBondContact O-CG2 3.26Å; A689-V693 PolarHBondContact O-N 2.92Å |
| 694 | V | 47.7 | Very low | 50.2 | Low | 117 Ų | 117 | 113 Ų | 113 | 71% | 0.709 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -76.9 | -35.3 | 168.5 | -177.7 | 0 | 0 | 0 | 0 | 111.7 | E691 K692 | E691-V694 WeakPolarHBondContact O-CB 3.39Å; E691-V694 PolarHBondContact O-N 3.46Å; K692-V694 PolarHBondContact O-N 3.46Å |
| 695 | E | 40.1 | Very low | 49.5 | Very low | 143 Ų | 143 | 116 Ų | 116 | 67% | 0.668 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -93.2 | -33.8 | -173.8 | -65.2 | -168.6 | 140.7 | 0 | 0 | 115.2 | K692 S697 | K692-E695 PolarHBondContact O-N 2.95Å; K692-E695 VanDerWaalsContact O-N 3.12Å; E695-S697 PolarHBondContact O-N 3.41Å |
| 696 | A | 47.8 | Very low | 48.9 | Very low | 84 Ų | 84 | 120.6 Ų | 120.6 | 69% | 0.694 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.3 | 25.7 | -170.3 | 0 | 0 | 0 | 0 | 0 | 115 | K692 V698 | K692-A696 VanDerWaalsContact O-CB 3.31Å; K692-A696 WeakPolarHBondContact O-CB 3.4Å; K692-A696 PolarHBondContact O-N 2.83Å; A696-V698 PolarHBondContact O-N 3.12Å |
| 697 | S | 41.3 | Very low | 48.3 | Very low | 106 Ų | 106 | 121.9 Ų | 121.9 | 74% | 0.741 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.1 | 8.4 | 170 | 55.5 | 0 | 0 | 0 | 0 | 113.4 | E695 | E695-S697 PolarHBondContact O-N 3.41Š|
| 698 | V | 36.8 | Very low | 48.2 | Very low | 119 Ų | 119 | 124.1 Ų | 124.1 | 72% | 0.721 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -134.9 | 108.2 | -179.3 | -172.3 | 0 | 0 | 0 | 0 | 112.6 | A696 | A696-V698 PolarHBondContact O-N 3.12Š|
| 699 | A | 33.9 | Very low | 48.2 | Very low | 99 Ų | 99 | 119.9 Ų | 119.9 | 82% | 0.818 | 71% | 0.707 | S | S | * | * | trans | 67.5 | 157.8 | 163.5 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 700 | A | 33.4 | Very low | 48.5 | Very low | 95 Ų | 95 | 120.7 Ų | 120.7 | 79% | 0.785 | 71% | 0.714 | S | S | * | * | cis | -168.6 | 157.8 | -35.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 701 | P | 43 | Very low | 49.3 | Very low | 128 Ų | 128 | 118.5 Ų | 118.5 | 83% | 0.831 | 71% | 0.707 | S | S | * | * | trans | -120.2 | 160.7 | -163.1 | 41.1 | -31 | 0 | 0 | 0 | 117.5 | ||||
| 702 | A | 34.7 | Very low | 50.5 | Low | 96 Ų | 96 | 119.1 Ų | 119.1 | 79% | 0.793 | 71% | 0.71 | S | S | * | * | trans | -176.4 | 152.5 | 148.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 703 | S | 45.7 | Very low | 51.4 | Low | 123 Ų | 123 | 119.9 Ų | 119.9 | 86% | 0.86 | 72% | 0.717 | S | S | * | * | trans | 73.3 | 108.3 | 158.6 | 63.8 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 704 | E | 48.1 | Very low | 52.2 | Low | 165 Ų | 165 | 120.9 Ų | 120.9 | 77% | 0.771 | 71% | 0.713 | S | S | * | * | trans | -132.5 | 5.4 | -179.8 | -154.1 | -165.2 | 153.4 | 0 | 0 | 114 | ||||
| 705 | V | 51.5 | Low | 53.5 | Low | 122 Ų | 122 | 120 Ų | 120 | 74% | 0.739 | 70% | 0.704 | S | S | * | * | trans | -87.5 | -36.9 | -160.4 | -178.2 | 0 | 0 | 0 | 0 | 114.6 | F707 | V705-F707 PolarHBondContact O-N 3.25Š| ||
| 706 | D | 54.9 | Low | 55.2 | Low | 147 Ų | 147 | 117.7 Ų | 117.7 | 79% | 0.786 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -70 | -26.5 | -168.6 | -70.3 | -34.2 | 0 | 0 | 0 | 114.7 | K708 | D706-K708 PolarHBondContact O-N 2.89Å |
| 707 | F | 55.3 | Low | 56.6 | Low | 170 Ų | 170 | 116.7 Ų | 116.7 | 75% | 0.746 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -69.7 | -32.7 | -172.2 | -168.4 | -102.2 | 0 | 0 | 0 | 113.7 | V705 | V705-F707 PolarHBondContact O-N 3.25Å |
| 708 | K | 61.3 | Low | 58.3 | Low | 152 Ų | 152 | 117.5 Ų | 117.5 | 66% | 0.661 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -70.5 | -38.5 | -178.3 | -82.3 | 175.2 | 176.3 | 162.1 | 0 | 112.9 | D706 A710 L711 E712 | D706-K708 PolarHBondContact O-N 2.89Å; K708-A710 PolarHBondContact O-N 2.78Å; K708-L711 PolarHBondContact O-N 2.82Å; K708-E712 PolarHBondContact O-N 3.42Å |
| 709 | S | 64.3 | Low | 60.2 | Low | 75 Ų | 75 | 119.8 Ų | 119.8 | 52% | 0.524 | 68% | 0.676 | S | S | . | * | H | α-helix | trans | -64.4 | -38.4 | -176.6 | -173.6 | 0 | 0 | 0 | 0 | 112.9 | ||
| 710 | A | 67.1 | Low | 62.3 | Low | 69 Ų | 69 | 120.4 Ų | 120.4 | 57% | 0.57 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -68 | -38.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | K708 | K708-A710 PolarHBondContact O-N 2.78Å |
| 711 | L | 70.2 | Confident | 64.5 | Low | 97 Ų | 97 | 118.9 Ų | 118.9 | 51% | 0.508 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -68.3 | -36.1 | -177.3 | -168.3 | 67.7 | 0 | 0 | 0 | 112.5 | K708 Q714 L715 | K708-L711 PolarHBondContact O-N 2.82Å; L711-Q714 PolarHBondContact O-N 2.91Å; L711-L715 PolarHBondContact O-N 2.81Å |
| 712 | E | 73.4 | Confident | 66.3 | Low | 140 Ų | 140 | 117.2 Ų | 117.2 | 65% | 0.654 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -73 | -36.2 | -175.7 | -163.4 | 164.4 | -144.6 | 0 | 0 | 112.8 | K708 Q714 N716 | K708-E712 PolarHBondContact O-N 3.42Å; E712-Q714 VanDerWaalsContact C-N 3.35Å; E712-Q714 PolarHBondContact O-N 3.17Å; E712-N716 PolarHBondContact O-N 3.3Å |
| 713 | M | 73.1 | Confident | 68.4 | Low | 147 Ų | 147 | 115.6 Ų | 115.6 | 72% | 0.724 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -61.5 | -41.7 | 171.5 | -78.6 | -166.6 | 175.6 | 0 | 0 | 112.3 | L715 N716 A717 | M713-L715 VanDerWaalsContact C-N 3.35Å; M713-L715 PolarHBondContact O-N 3.46Å; M713-N716 PolarHBondContact O-N 2.97Å; M713-A717 PolarHBondContact O-N 3.35Å |
| 714 | Q | 72.4 | Confident | 70.3 | Confident | 144 Ų | 144 | 115.9 Ų | 115.9 | 67% | 0.673 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -66.2 | -37.4 | -175.6 | -155 | 177.8 | 16.6 | 0 | 0 | 112 | L711 E712 H718 | L711-Q714 PolarHBondContact O-N 2.91Å; E712-Q714 VanDerWaalsContact C-N 3.35Å; E712-Q714 PolarHBondContact O-N 3.17Å; Q714-H718 PolarHBondContact O-N 2.7Å |
| 715 | L | 75 | Confident | 72 | Confident | 99 Ų | 99 | 113.7 Ų | 113.7 | 52% | 0.518 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -66.3 | -38.9 | 175.8 | -83.3 | 165.7 | 0 | 0 | 0 | 113.3 | L711 M713 H718 R719 | L711-L715 PolarHBondContact O-N 2.81Å; M713-L715 VanDerWaalsContact C-N 3.35Å; M713-L715 PolarHBondContact O-N 3.46Å; L715-H718 PolarHBondContact O-N 2.94Å; L715-R719 WeakPolarHBondContact O-CG 3.42Å; L715-R719 PolarHBondContact O-N 3.09Å |
| 716 | N | 75.8 | Confident | 73.5 | Confident | 94 Ų | 94 | 110.9 Ų | 110.9 | 50% | 0.503 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -70.3 | -41.5 | 179.9 | -82.3 | -19 | 0 | 0 | 0 | 112.4 | E712 M713 H718 R719 E720 | E712-N716 PolarHBondContact O-N 3.3Å; M713-N716 PolarHBondContact O-N 2.97Å; N716-H718 VanDerWaalsContact C-N 3.29Å; N716-H718 PolarHBondContact O-N 3.31Å; N716-R719 PolarHBondContact O-N 3.01Å; N716-E720 PolarHBondContact O-N 3.4Å; N716-E720 VanDerWaalsContact O-N 3.15Å |
| 717 | A | 77.5 | Confident | 74.9 | Confident | 64 Ų | 64 | 106 Ų | 106 | 53% | 0.529 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -58.6 | -40.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | M713 E720 A721 | M713-A717 PolarHBondContact O-N 3.35Å; A717-E720 PolarHBondContact O-N 2.98Å; A717-A721 PolarHBondContact O-N 3.33Å |
| 718 | H | 75.8 | Confident | 76.4 | Confident | 122 Ų | 122 | 100.4 Ų | 100.4 | 57% | 0.565 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -65.4 | -39.2 | 178.6 | -151 | -91.8 | 0 | 0 | 0 | 112.6 | Q714 L715 N716 H722 | Q714-H718 PolarHBondContact O-N 2.7Å; L715-H718 PolarHBondContact O-N 2.94Å; N716-H718 VanDerWaalsContact C-N 3.29Å; N716-H718 PolarHBondContact O-N 3.31Å; H718-H722 AromaticContact CE1-CD2 3.71Å; H718-H722 AromaticContact CE1-NE2 3.08Å; H718-H722 PolarHBondContact CE1-NE2 2.8Å; H718-H722 AromaticContact ND1-CD2 3.37Å; H718-H722 PolarHBondContact ND1-CD2 2.82Å; H718-H722 AromaticContact ND1-NE2 3.27Å; H718-H722 PolarHBondContact ND1-NE2 2.76Å; H718-H722 PolarHBondContact O-CD2 3.44Å; H718-H722 VanDerWaalsContact O-CD2 3.25Å; H718-H722 PolarHBondContact O-N 3Å |
| 719 | R | 76.7 | Confident | 77.7 | Confident | 168 Ų | 168 | 97.8 Ų | 97.8 | 63% | 0.634 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -64.5 | -42.4 | 176.6 | -75.2 | 173.5 | 172.8 | 166.8 | -2.5 | 112.5 | L715 N716 H722 A723 | L715-R719 WeakPolarHBondContact O-CG 3.42Å; L715-R719 PolarHBondContact O-N 3.09Å; N716-R719 PolarHBondContact O-N 3.01Å; R719-H722 PolarHBondContact O-N 3.26Å; R719-A723 PolarHBondContact O-N 3.28Å |
| 720 | E | 79.9 | Confident | 78.8 | Confident | 111 Ų | 111 | 102.4 Ų | 102.4 | 52% | 0.519 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -68.7 | -38.5 | -179 | -157.4 | -167.1 | 144.8 | 0 | 0 | 112.1 | N716 A717 A723 K724 | N716-E720 PolarHBondContact O-N 3.4Å; N716-E720 VanDerWaalsContact O-N 3.15Å; A717-E720 PolarHBondContact O-N 2.98Å; E720-A723 PolarHBondContact O-N 3.38Å; E720-K724 PolarHBondContact O-N 3.46Å; E720-K724 VanDerWaalsContact O-N 3.13Å; E720-K724 WeakPolarHBondContact OE1-CE 3.38Å; E720-K724 IonicContact OE1-NZ 3.66Å; E720-K724 PolarHBondContact OE1-NZ 3.02Å |
| 721 | A | 78.6 | Confident | 79.8 | Confident | 63 Ų | 63 | 104.6 Ų | 104.6 | 52% | 0.521 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -60.9 | -47.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | A717 A723 K724 Q725 | A717-A721 PolarHBondContact O-N 3.33Å; A721-A723 PolarHBondContact O-N 2.97Å; A721-K724 PolarHBondContact O-N 3.45Å; A721-Q725 PolarHBondContact O-N 3.28Å |
| 722 | H | 80.2 | Confident | 80.7 | Confident | 93 Ų | 93 | 104.1 Ų | 104.1 | 43% | 0.431 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -62.8 | -39.7 | 175.5 | -79.6 | -58.4 | 0 | 0 | 0 | 113 | H718 R719 K724 Q725 V726 | H718-H722 AromaticContact CE1-CD2 3.71Å; H718-H722 AromaticContact CE1-NE2 3.08Å; H718-H722 PolarHBondContact CE1-NE2 2.8Å; H718-H722 AromaticContact ND1-CD2 3.37Å; H718-H722 PolarHBondContact ND1-CD2 2.82Å; H718-H722 AromaticContact ND1-NE2 3.27Å; H718-H722 PolarHBondContact ND1-NE2 2.76Å; H718-H722 PolarHBondContact O-CD2 3.44Å; H718-H722 VanDerWaalsContact O-CD2 3.25Å; H718-H722 PolarHBondContact O-N 3Å; R719-H722 PolarHBondContact O-N 3.26Å; H722-K724 VanDerWaalsContact C-N 3.33Å; H722-K724 PolarHBondContact O-N 2.96Å; H722-Q725 PolarHBondContact O-N 3.39Å; H722-V726 WeakPolarHBondContact O-CG2 3.45Å; H722-V726 PolarHBondContact O-N 2.93Å |
| 723 | A | 79.9 | Confident | 81.5 | Confident | 62 Ų | 62 | 102.3 Ų | 102.3 | 51% | 0.512 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -60.5 | -42.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112 | R719 E720 A721 A727 | R719-A723 PolarHBondContact O-N 3.28Å; E720-A723 PolarHBondContact O-N 3.38Å; A721-A723 PolarHBondContact O-N 2.97Å; A723-A727 WeakPolarHBondContact O-CB 3.47Å; A723-A727 PolarHBondContact O-N 3.27Å |
| 724 | K | 85.2 | Confident | 82.2 | Confident | 130 Ų | 130 | 98 Ų | 98 | 57% | 0.565 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -66.2 | -42.1 | 175.5 | -71.2 | 173.8 | -173.7 | 165.6 | 0 | 112.3 | E720 A721 H722 V726 A727 A728 | E720-K724 PolarHBondContact O-N 3.46Å; E720-K724 VanDerWaalsContact O-N 3.13Å; E720-K724 WeakPolarHBondContact OE1-CE 3.38Å; E720-K724 IonicContact OE1-NZ 3.66Å; E720-K724 PolarHBondContact OE1-NZ 3.02Å; A721-K724 PolarHBondContact O-N 3.45Å; H722-K724 VanDerWaalsContact C-N 3.33Å; H722-K724 PolarHBondContact O-N 2.96Å; K724-V726 PolarHBondContact O-N 3.38Å; K724-A727 PolarHBondContact O-N 2.93Å; K724-A728 PolarHBondContact O-N 2.86Å |
| 725 | Q | 83.3 | Confident | 83 | Confident | 118 Ų | 118 | 97 Ų | 97 | 55% | 0.551 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63 | -42.1 | 177.2 | -168.5 | -179.6 | 20.2 | 0 | 0 | 112.1 | A721 H722 L729 | A721-Q725 PolarHBondContact O-N 3.28Å; H722-Q725 PolarHBondContact O-N 3.39Å; Q725-L729 HydrophobicContact CG-CD1 4.42Å; Q725-L729 WeakPolarHBondContact O-CG 3.27Å; Q725-L729 PolarHBondContact O-N 3.03Å; Q725-L729 VanDerWaalsContact O-N 3.13Å |
| 726 | V | 83.5 | Confident | 83.8 | Confident | 64 Ų | 64 | 98.4 Ų | 98.4 | 39% | 0.388 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -69 | -32.3 | 177 | 172.1 | 0 | 0 | 0 | 0 | 112 | H722 K724 R730 | H722-V726 WeakPolarHBondContact O-CG2 3.45Å; H722-V726 PolarHBondContact O-N 2.93Å; K724-V726 PolarHBondContact O-N 3.38Å; V726-R730 VanDerWaalsContact O-CG 3.3Å; V726-R730 WeakPolarHBondContact O-CG 3.44Å; V726-R730 PolarHBondContact O-N 3.03Å |
| 727 | A | 85.2 | Confident | 84.5 | Confident | 44 Ų | 44 | 98.4 Ų | 98.4 | 36% | 0.364 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.2 | -51.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | A723 K724 L729 R730 D731 | A723-A727 WeakPolarHBondContact O-CB 3.47Å; A723-A727 PolarHBondContact O-N 3.27Å; K724-A727 PolarHBondContact O-N 2.93Å; A727-L729 VanDerWaalsContact C-N 3.31Å; A727-L729 PolarHBondContact O-N 3.47Å; A727-R730 WeakPolarHBondContact O-CB 3.32Å; A727-R730 PolarHBondContact O-N 3.37Å; A727-D731 PolarHBondContact O-N 2.96Å; A727-D731 VanDerWaalsContact O-N 3.1Å |
| 728 | A | 86.1 | Confident | 85.1 | Confident | 53 Ų | 53 | 102.1 Ų | 102.1 | 44% | 0.438 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -56.2 | -44.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | K724 R730 D731 D732 | K724-A728 PolarHBondContact O-N 2.86Å; A728-R730 VanDerWaalsContact C-N 3.27Å; A728-R730 PolarHBondContact O-N 3.49Å; A728-D731 PolarHBondContact O-N 3.35Å; A728-D732 PolarHBondContact O-N 3.28Å |
| 729 | L | 88.3 | Confident | 85.8 | Confident | 96 Ų | 96 | 98.6 Ų | 98.6 | 50% | 0.503 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.6 | -29.3 | 176.4 | -71.2 | 171.2 | 0 | 0 | 0 | 113.4 | Q725 A727 I733 | Q725-L729 HydrophobicContact CG-CD1 4.42Å; Q725-L729 WeakPolarHBondContact O-CG 3.27Å; Q725-L729 PolarHBondContact O-N 3.03Å; Q725-L729 VanDerWaalsContact O-N 3.13Å; A727-L729 VanDerWaalsContact C-N 3.31Å; A727-L729 PolarHBondContact O-N 3.47Å; L729-I733 WeakPolarHBondContact O-CB 3.38Å; L729-I733 VanDerWaalsContact O-CD1 3.29Å; L729-I733 WeakPolarHBondContact O-CD1 3.43Å; L729-I733 WeakPolarHBondContact O-CG1 3.48Å; L729-I733 PolarHBondContact O-N 3.48Å; L729-I733 VanDerWaalsContact O-N 3.1Å |
| 730 | R | 87.5 | Confident | 86.4 | Confident | 172 Ų | 172 | 94 Ų | 94 | 65% | 0.649 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -73.3 | -39.7 | 175.1 | -75.4 | 168.4 | 176.3 | 168.9 | -0.1 | 111.8 | V726 A727 A728 I733 A734 | V726-R730 VanDerWaalsContact O-CG 3.3Å; V726-R730 WeakPolarHBondContact O-CG 3.44Å; V726-R730 PolarHBondContact O-N 3.03Å; A727-R730 WeakPolarHBondContact O-CB 3.32Å; A727-R730 PolarHBondContact O-N 3.37Å; A728-R730 VanDerWaalsContact C-N 3.27Å; A728-R730 PolarHBondContact O-N 3.49Å; R730-I733 PolarHBondContact O-N 3.37Å; R730-A734 WeakPolarHBondContact O-CB 3.28Å; R730-A734 PolarHBondContact O-N 2.94Å |
| 731 | D | 87.8 | Confident | 86.9 | Confident | 115 Ų | 115 | 93.3 Ų | 93.3 | 62% | 0.615 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -67.7 | -43.3 | 177.3 | -65.1 | -25.5 | 0 | 0 | 0 | 110.7 | A727 A728 I733 A734 E735 | A727-D731 PolarHBondContact O-N 2.96Å; A727-D731 VanDerWaalsContact O-N 3.1Å; A728-D731 PolarHBondContact O-N 3.35Å; D731-I733 PolarHBondContact O-N 2.86Å; D731-A734 WeakPolarHBondContact O-CB 3.23Å; D731-A734 PolarHBondContact O-N 3.15Å; D731-A734 VanDerWaalsContact O-N 3.15Å; D731-E735 PolarHBondContact O-N 2.9Å |
| 732 | D | 90.2 | Very high | 87.4 | Confident | 88 Ų | 88 | 96.1 Ų | 96.1 | 47% | 0.471 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -55.9 | -48.2 | 171.2 | -79.1 | -13.4 | 0 | 0 | 0 | 111.4 | A728 A734 E735 K736 | A728-D732 PolarHBondContact O-N 3.28Å; D732-A734 VanDerWaalsContact C-N 3.32Å; D732-A734 PolarHBondContact O-N 2.95Å; D732-E735 PolarHBondContact O-N 3.02Å; D732-K736 WeakPolarHBondContact O-CG 3.35Å; D732-K736 PolarHBondContact O-N 2.95Å |
| 733 | I | 89.9 | Confident | 87.9 | Confident | 101 Ų | 101 | 97.5 Ų | 97.5 | 52% | 0.518 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.5 | -40.2 | 177.4 | -74 | 166.3 | 0 | 0 | 0 | 111.1 | L729 R730 D731 N737 | L729-I733 WeakPolarHBondContact O-CB 3.38Å; L729-I733 VanDerWaalsContact O-CD1 3.29Å; L729-I733 WeakPolarHBondContact O-CD1 3.43Å; L729-I733 WeakPolarHBondContact O-CG1 3.48Å; L729-I733 PolarHBondContact O-N 3.48Å; L729-I733 VanDerWaalsContact O-N 3.1Å; R730-I733 PolarHBondContact O-N 3.37Å; D731-I733 PolarHBondContact O-N 2.86Å; I733-N737 WeakPolarHBondContact CG2-ND2 3.47Å; I733-N737 WeakPolarHBondContact O-CB 3.4Å; I733-N737 PolarHBondContact O-N 2.87Å; I733-N737 PolarHBondContact O-ND2 3.46Å |
| 734 | A | 87.8 | Confident | 88.5 | Confident | 57 Ų | 57 | 101.2 Ų | 101.2 | 47% | 0.471 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.5 | -42.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | R730 D731 D732 N737 K738 | R730-A734 WeakPolarHBondContact O-CB 3.28Å; R730-A734 PolarHBondContact O-N 2.94Å; D731-A734 WeakPolarHBondContact O-CB 3.23Å; D731-A734 PolarHBondContact O-N 3.15Å; D731-A734 VanDerWaalsContact O-N 3.15Å; D732-A734 VanDerWaalsContact C-N 3.32Å; D732-A734 PolarHBondContact O-N 2.95Å; A734-N737 PolarHBondContact O-N 2.98Å; A734-K738 PolarHBondContact O-N 2.84Å |
| 735 | E | 89.2 | Confident | 88.7 | Confident | 123 Ų | 123 | 98.4 Ų | 98.4 | 58% | 0.575 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -65.7 | -45.9 | 176.3 | -169.1 | 179.2 | -145.1 | 0 | 0 | 111.5 | D731 D732 N737 K738 S739 | D731-E735 PolarHBondContact O-N 2.9Å; D732-E735 PolarHBondContact O-N 3.02Å; E735-N737 VanDerWaalsContact C-N 3.33Å; E735-N737 PolarHBondContact O-N 3.49Å; E735-K738 WeakPolarHBondContact O-CB 3.3Å; E735-K738 PolarHBondContact O-N 3.25Å; E735-K738 VanDerWaalsContact O-N 3.17Å; E735-S739 PolarHBondContact O-N 3.17Å; E735-S739 PolarHBondContact O-OG 3.36Å |
| 736 | K | 91.5 | Very high | 89 | Confident | 129 Ų | 129 | 95.2 Ų | 95.2 | 56% | 0.561 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -60.8 | -40.7 | 175.3 | -64.1 | -49.5 | 176.6 | -159.3 | 0 | 112.1 | D732 K738 S739 I740 | D732-K736 WeakPolarHBondContact O-CG 3.35Å; D732-K736 PolarHBondContact O-N 2.95Å; K736-K738 VanDerWaalsContact C-N 3.35Å; K736-K738 PolarHBondContact O-N 2.92Å; K736-S739 PolarHBondContact O-N 3.47Å; K736-I740 VanDerWaalsContact O-CG1 3.26Å; K736-I740 WeakPolarHBondContact O-CG1 3.36Å; K736-I740 PolarHBondContact O-N 3.06Å |
| 737 | N | 90 | Very high | 89.4 | Confident | 93 Ų | 93 | 97.3 Ų | 97.3 | 50% | 0.497 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.3 | -40.6 | 175.4 | -77.7 | -33.6 | 0 | 0 | 0 | 112.1 | I733 A734 E735 I740 E741 | I733-N737 WeakPolarHBondContact CG2-ND2 3.47Å; I733-N737 WeakPolarHBondContact O-CB 3.4Å; I733-N737 PolarHBondContact O-N 2.87Å; I733-N737 PolarHBondContact O-ND2 3.46Å; A734-N737 PolarHBondContact O-N 2.98Å; E735-N737 VanDerWaalsContact C-N 3.33Å; E735-N737 PolarHBondContact O-N 3.49Å; N737-I740 PolarHBondContact O-N 3.18Å; N737-E741 PolarHBondContact O-N 3.02Å |
| 738 | K | 90.9 | Very high | 89.6 | Confident | 142 Ų | 142 | 100.5 Ų | 100.5 | 62% | 0.617 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.9 | -41.6 | 174.4 | -173.3 | -178.9 | 178.4 | -175.7 | 0 | 112 | A734 E735 K736 E741 Q742 | A734-K738 PolarHBondContact O-N 2.84Å; E735-K738 WeakPolarHBondContact O-CB 3.3Å; E735-K738 PolarHBondContact O-N 3.25Å; E735-K738 VanDerWaalsContact O-N 3.17Å; K736-K738 VanDerWaalsContact C-N 3.35Å; K736-K738 PolarHBondContact O-N 2.92Å; K738-E741 PolarHBondContact O-N 3.03Å; K738-Q742 WeakPolarHBondContact O-CG 3.44Å; K738-Q742 PolarHBondContact O-N 3.38Å |
| 739 | S | 90 | Very high | 89.6 | Confident | 48 Ų | 48 | 104.3 Ų | 104.3 | 34% | 0.336 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.8 | -41.8 | 174.6 | -55.2 | 0 | 0 | 0 | 0 | 112.3 | E735 K736 E741 Q742 L743 | E735-S739 PolarHBondContact O-N 3.17Å; E735-S739 PolarHBondContact O-OG 3.36Å; K736-S739 PolarHBondContact O-N 3.47Å; S739-E741 VanDerWaalsContact C-N 3.32Å; S739-E741 PolarHBondContact O-N 3.43Å; S739-Q742 PolarHBondContact O-N 3.34Å; S739-L743 WeakPolarHBondContact O-CB 3.37Å; S739-L743 VanDerWaalsContact O-CG 3.31Å; S739-L743 WeakPolarHBondContact O-CG 3.42Å; S739-L743 PolarHBondContact O-N 3.41Å |
| 740 | I | 90.4 | Very high | 89.8 | Confident | 72 Ų | 72 | 105.7 Ų | 105.7 | 37% | 0.369 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -60.4 | -42.9 | 176 | -72.3 | 163.8 | 0 | 0 | 0 | 110.6 | K736 N737 L743 R744 | K736-I740 VanDerWaalsContact O-CG1 3.26Å; K736-I740 WeakPolarHBondContact O-CG1 3.36Å; K736-I740 PolarHBondContact O-N 3.06Å; N737-I740 PolarHBondContact O-N 3.18Å; I740-L743 PolarHBondContact O-N 3.07Å; I740-R744 WeakPolarHBondContact O-CG 3.39Å; I740-R744 PolarHBondContact O-N 3.46Å |
| 741 | E | 90.2 | Very high | 89.9 | Confident | 96 Ų | 96 | 102 Ų | 102 | 45% | 0.449 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -69.9 | -38.6 | -179.5 | -161.6 | 57.3 | -153 | 0 | 0 | 112.5 | N737 K738 S739 L743 R744 V745 | N737-E741 PolarHBondContact O-N 3.02Å; K738-E741 PolarHBondContact O-N 3.03Å; S739-E741 VanDerWaalsContact C-N 3.32Å; S739-E741 PolarHBondContact O-N 3.43Å; E741-L743 VanDerWaalsContact C-N 3.35Å; E741-L743 PolarHBondContact O-N 3.02Å; E741-R744 PolarHBondContact O-N 2.98Å; E741-R744 VanDerWaalsContact OE2-CD 3.26Å; E741-R744 WeakPolarHBondContact OE2-CD 3.24Å; E741-R744 IonicContact OE2-CZ 3.08Å; E741-R744 IonicContact OE2-NH1 2.7Å; E741-R744 PolarHBondContact OE2-NH1 3.27Å; E741-V745 WeakPolarHBondContact O-CG2 3.46Å; E741-V745 PolarHBondContact O-N 2.95Å |
| 742 | Q | 89 | Confident | 90.1 | Very high | 123 Ų | 123 | 101.5 Ų | 101.5 | 58% | 0.575 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -60.8 | -42.7 | 171.2 | -73 | 178.5 | -20.2 | 0 | 0 | 112.2 | K738 S739 V745 A746 | K738-Q742 WeakPolarHBondContact O-CG 3.44Å; K738-Q742 PolarHBondContact O-N 3.38Å; S739-Q742 PolarHBondContact O-N 3.34Å; Q742-V745 PolarHBondContact O-N 3.47Å; Q742-A746 WeakPolarHBondContact O-CB 3.45Å; Q742-A746 PolarHBondContact O-N 2.93Å |
| 743 | L | 90.5 | Very high | 89.9 | Confident | 122 Ų | 122 | 99.8 Ų | 99.8 | 64% | 0.639 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65.4 | -36.1 | 176.1 | -72.7 | 169.1 | 0 | 0 | 0 | 112.3 | S739 I740 E741 A746 L747 | S739-L743 WeakPolarHBondContact O-CB 3.37Å; S739-L743 VanDerWaalsContact O-CG 3.31Å; S739-L743 WeakPolarHBondContact O-CG 3.42Å; S739-L743 PolarHBondContact O-N 3.41Å; I740-L743 PolarHBondContact O-N 3.07Å; E741-L743 VanDerWaalsContact C-N 3.35Å; E741-L743 PolarHBondContact O-N 3.02Å; L743-A746 PolarHBondContact O-N 3.41Å; L743-L747 VanDerWaalsContact O-CB 3.29Å; L743-L747 WeakPolarHBondContact O-CB 3.44Å; L743-L747 PolarHBondContact O-N 2.94Å |
| 744 | R | 91.7 | Very high | 90 | Very high | 140 Ų | 140 | 100.2 Ų | 100.2 | 53% | 0.528 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.6 | -44.1 | 173.9 | -75.9 | 166.7 | 172 | -180 | -2.5 | 112.5 | I740 E741 L747 N748 | I740-R744 WeakPolarHBondContact O-CG 3.39Å; I740-R744 PolarHBondContact O-N 3.46Å; E741-R744 PolarHBondContact O-N 2.98Å; E741-R744 VanDerWaalsContact OE2-CD 3.26Å; E741-R744 WeakPolarHBondContact OE2-CD 3.24Å; E741-R744 IonicContact OE2-CZ 3.08Å; E741-R744 IonicContact OE2-NH1 2.7Å; E741-R744 PolarHBondContact OE2-NH1 3.27Å; R744-L747 PolarHBondContact O-N 3.36Å; R744-N748 PolarHBondContact O-N 2.92Å; R744-N748 PolarHBondContact O-ND2 2.88Å |
| 745 | V | 90.4 | Very high | 90.1 | Very high | 70 Ų | 70 | 101.7 Ų | 101.7 | 42% | 0.424 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.8 | -44.5 | 176.1 | 173.8 | 0 | 0 | 0 | 0 | 110.7 | E741 Q742 N748 Q749 | E741-V745 WeakPolarHBondContact O-CG2 3.46Å; E741-V745 PolarHBondContact O-N 2.95Å; Q742-V745 PolarHBondContact O-N 3.47Å; V745-N748 PolarHBondContact O-N 3.46Å; V745-Q749 WeakPolarHBondContact O-CG 3.3Å; V745-Q749 PolarHBondContact O-N 2.91Å |
| 746 | A | 89 | Confident | 90.1 | Very high | 51 Ų | 51 | 101.9 Ų | 101.9 | 42% | 0.421 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63 | -41.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q742 L743 Q749 L750 | Q742-A746 WeakPolarHBondContact O-CB 3.45Å; Q742-A746 PolarHBondContact O-N 2.93Å; L743-A746 PolarHBondContact O-N 3.41Å; A746-Q749 PolarHBondContact O-N 3.1Å; A746-L750 WeakPolarHBondContact O-CB 3.32Å; A746-L750 PolarHBondContact O-N 3.43Å |
| 747 | L | 91.1 | Very high | 90 | Very high | 108 Ų | 108 | 101.3 Ų | 101.3 | 57% | 0.565 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61.2 | -45.7 | 175.7 | -172.3 | 75.4 | 0 | 0 | 0 | 111.5 | L743 R744 Q749 L750 Q751 | L743-L747 VanDerWaalsContact O-CB 3.29Å; L743-L747 WeakPolarHBondContact O-CB 3.44Å; L743-L747 PolarHBondContact O-N 2.94Å; R744-L747 PolarHBondContact O-N 3.36Å; L747-Q749 PolarHBondContact O-N 3.32Å; L747-L750 PolarHBondContact O-N 3.15Å; L747-Q751 WeakPolarHBondContact O-CB 3.19Å; L747-Q751 PolarHBondContact O-N 3.22Å |
| 748 | N | 89.6 | Confident | 90 | Very high | 111 Ų | 111 | 101 Ų | 101 | 59% | 0.594 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.4 | -38.3 | 178.3 | -72.8 | -17.6 | 0 | 0 | 0 | 112.2 | R744 V745 L752 | R744-N748 PolarHBondContact O-N 2.92Å; R744-N748 PolarHBondContact O-ND2 2.88Å; V745-N748 PolarHBondContact O-N 3.46Å; N748-L752 WeakPolarHBondContact O-CB 3.32Å; N748-L752 PolarHBondContact O-N 3.23Å |
| 749 | Q | 87.4 | Confident | 89.9 | Confident | 134 Ų | 134 | 96.2 Ų | 96.2 | 63% | 0.626 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -65.2 | -43.1 | 173.8 | -72.7 | 176.3 | -1.7 | 0 | 0 | 111.8 | V745 A746 L747 L752 A753 | V745-Q749 WeakPolarHBondContact O-CG 3.3Å; V745-Q749 PolarHBondContact O-N 2.91Å; A746-Q749 PolarHBondContact O-N 3.1Å; L747-Q749 PolarHBondContact O-N 3.32Å; Q749-L752 PolarHBondContact O-N 2.9Å; Q749-A753 WeakPolarHBondContact O-CB 3.21Å; Q749-A753 PolarHBondContact O-N 3.4Å |
| 750 | L | 90.8 | Very high | 89.9 | Confident | 124 Ų | 124 | 99.2 Ų | 99.2 | 65% | 0.649 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.3 | -39.4 | 177.5 | -166.5 | 74.8 | 0 | 0 | 0 | 111.9 | A746 L747 A753 K754 | A746-L750 WeakPolarHBondContact O-CB 3.32Å; A746-L750 PolarHBondContact O-N 3.43Å; L747-L750 PolarHBondContact O-N 3.15Å; L750-A753 PolarHBondContact O-N 3.1Å; L750-K754 WeakPolarHBondContact O-CB 3.49Å; L750-K754 PolarHBondContact O-N 2.93Å |
| 751 | Q | 91.3 | Very high | 89.8 | Confident | 95 Ų | 95 | 102.7 Ų | 102.7 | 44% | 0.444 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.3 | -47.7 | 175 | -169 | 79.8 | 9.9 | 0 | 0 | 110.9 | L747 A753 K754 D755 | L747-Q751 WeakPolarHBondContact O-CB 3.19Å; L747-Q751 PolarHBondContact O-N 3.22Å; Q751-A753 PolarHBondContact O-N 2.92Å; Q751-K754 WeakPolarHBondContact O-CB 3.33Å; Q751-K754 PolarHBondContact O-N 3.4Å; Q751-K754 VanDerWaalsContact O-N 3.15Å; Q751-D755 VanDerWaalsContact O-CG 3.29Å; Q751-D755 PolarHBondContact O-N 3.16Å |
| 752 | L | 90.4 | Very high | 89.9 | Confident | 105 Ų | 105 | 104.1 Ų | 104.1 | 55% | 0.55 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -67.1 | -36.4 | -178.7 | -161 | 149.2 | 0 | 0 | 0 | 112.1 | N748 Q749 Q756 | N748-L752 WeakPolarHBondContact O-CB 3.32Å; N748-L752 PolarHBondContact O-N 3.23Å; Q749-L752 PolarHBondContact O-N 2.9Å; L752-Q756 HydrophobicContact CD2-CG 4.47Å; L752-Q756 WeakPolarHBondContact O-CG 3.41Å; L752-Q756 PolarHBondContact O-N 3.44Å; L752-Q756 VanDerWaalsContact O-N 3.12Å |
| 753 | A | 87.2 | Confident | 89.9 | Confident | 51 Ų | 51 | 105.4 Ų | 105.4 | 42% | 0.421 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66.1 | -37.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q749 L750 Q751 L757 | Q749-A753 WeakPolarHBondContact O-CB 3.21Å; Q749-A753 PolarHBondContact O-N 3.4Å; L750-A753 PolarHBondContact O-N 3.1Å; Q751-A753 PolarHBondContact O-N 2.92Å; A753-L757 WeakPolarHBondContact O-CB 3.47Å; A753-L757 PolarHBondContact O-N 2.94Å |
| 754 | K | 90.6 | Very high | 89.8 | Confident | 111 Ų | 111 | 105.1 Ų | 105.1 | 48% | 0.483 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.4 | -44.9 | 174.7 | 179.7 | -166.6 | 172.7 | -159.6 | 0 | 111.6 | L750 Q751 Q756 L757 Q758 | L750-K754 WeakPolarHBondContact O-CB 3.49Å; L750-K754 PolarHBondContact O-N 2.93Å; Q751-K754 WeakPolarHBondContact O-CB 3.33Å; Q751-K754 PolarHBondContact O-N 3.4Å; Q751-K754 VanDerWaalsContact O-N 3.15Å; K754-Q756 VanDerWaalsContact C-N 3.35Å; K754-Q756 PolarHBondContact O-N 3.35Å; K754-L757 PolarHBondContact O-N 2.75Å; K754-Q758 VanDerWaalsContact CE-OE1 3.23Å; K754-Q758 PolarHBondContact O-N 2.94Å |
| 755 | D | 90.9 | Very high | 89.8 | Confident | 88 Ų | 88 | 103.4 Ų | 103.4 | 47% | 0.471 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.9 | -39.5 | -179.7 | -65.7 | -18.5 | 0 | 0 | 0 | 111.2 | Q751 Q758 G759 | Q751-D755 VanDerWaalsContact O-CG 3.29Å; Q751-D755 PolarHBondContact O-N 3.16Å; D755-Q758 PolarHBondContact O-N 3.29Å; D755-G759 PolarHBondContact O-N 2.68Å; D755-G759 VanDerWaalsContact O-N 3.11Å |
| 756 | Q | 89.4 | Confident | 89.8 | Confident | 127 Ų | 127 | 103.6 Ų | 103.6 | 59% | 0.593 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -60.7 | -48.1 | 171.2 | -74.1 | 176.7 | -6.3 | 0 | 0 | 112 | L752 K754 Q758 G759 E760 | L752-Q756 HydrophobicContact CD2-CG 4.47Å; L752-Q756 WeakPolarHBondContact O-CG 3.41Å; L752-Q756 PolarHBondContact O-N 3.44Å; L752-Q756 VanDerWaalsContact O-N 3.12Å; K754-Q756 VanDerWaalsContact C-N 3.35Å; K754-Q756 PolarHBondContact O-N 3.35Å; Q756-Q758 VanDerWaalsContact C-N 3.32Å; Q756-Q758 PolarHBondContact O-N 3.5Å; Q756-G759 PolarHBondContact O-N 2.84Å; Q756-E760 PolarHBondContact O-N 2.95Å |
| 757 | L | 89.4 | Confident | 89.7 | Confident | 117 Ų | 117 | 105 Ų | 105 | 61% | 0.613 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -65.6 | -33.7 | -179.4 | -169.6 | 66.7 | 0 | 0 | 0 | 112.5 | A753 K754 Y761 | A753-L757 WeakPolarHBondContact O-CB 3.47Å; A753-L757 PolarHBondContact O-N 2.94Å; K754-L757 PolarHBondContact O-N 2.75Å; L757-Y761 WeakPolarHBondContact O-CB 3.45Å; L757-Y761 PolarHBondContact O-N 3.04Å |
| 758 | Q | 90.5 | Very high | 89.6 | Confident | 86 Ų | 86 | 106.3 Ų | 106.3 | 40% | 0.402 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.5 | -43.9 | 171.4 | -79.2 | -170.7 | -120.9 | 0 | 0 | 111.8 | K754 D755 Q756 E760 Y761 E762 | K754-Q758 VanDerWaalsContact CE-OE1 3.23Å; K754-Q758 PolarHBondContact O-N 2.94Å; D755-Q758 PolarHBondContact O-N 3.29Å; Q756-Q758 VanDerWaalsContact C-N 3.32Å; Q756-Q758 PolarHBondContact O-N 3.5Å; Q758-E760 PolarHBondContact O-N 3.43Å; Q758-Y761 PolarHBondContact O-N 2.93Å; Q758-E762 WeakPolarHBondContact O-CG 3.5Å; Q758-E762 PolarHBondContact O-N 3.03Å |
| 759 | G | 88.8 | Confident | 89.5 | Confident | 42 Ų | 42 | 104 Ų | 104 | 43% | 0.433 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.3 | -39.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | D755 Q756 R763 | D755-G759 PolarHBondContact O-N 2.68Å; D755-G759 VanDerWaalsContact O-N 3.11Å; Q756-G759 PolarHBondContact O-N 2.84Å; G759-R763 PolarHBondContact O-N 3.36Å; G759-R763 VanDerWaalsContact O-N 3.12Å |
| 760 | E | 88.5 | Confident | 89.4 | Confident | 111 Ų | 111 | 99.3 Ų | 99.3 | 52% | 0.519 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.5 | -41.5 | 173.9 | -68.8 | -161.5 | 143.5 | 0 | 0 | 112.5 | Q756 Q758 R763 L764 | Q756-E760 PolarHBondContact O-N 2.95Å; Q758-E760 PolarHBondContact O-N 3.43Å; E760-R763 PolarHBondContact O-N 3.13Å; E760-L764 PolarHBondContact O-N 3Å |
| 761 | Y | 89.4 | Confident | 89.1 | Confident | 145 Ų | 145 | 102.2 Ų | 102.2 | 57% | 0.569 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -61.5 | -45 | 175.9 | 174 | -98.5 | 0 | 0 | 0 | 112.2 | L757 Q758 R763 L764 K765 | L757-Y761 WeakPolarHBondContact O-CB 3.45Å; L757-Y761 PolarHBondContact O-N 3.04Å; Q758-Y761 PolarHBondContact O-N 2.93Å; Y761-R763 PolarHBondContact O-N 2.97Å; Y761-L764 PolarHBondContact O-N 3.15Å; Y761-K765 HydrophobicContact CE1-CD 4.11Å; Y761-K765 VanDerWaalsContact O-CB 3.29Å; Y761-K765 WeakPolarHBondContact O-CB 3.47Å; Y761-K765 PolarHBondContact O-N 3.22Å |
| 762 | E | 91.3 | Very high | 89 | Confident | 126 Ų | 126 | 100.9 Ų | 100.9 | 59% | 0.589 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.5 | -40.5 | 177.3 | -74.1 | 177.8 | -171.4 | 0 | 0 | 112.1 | Q758 K765 S766 | Q758-E762 WeakPolarHBondContact O-CG 3.5Å; Q758-E762 PolarHBondContact O-N 3.03Å; E762-K765 PolarHBondContact O-N 3.36Å; E762-S766 PolarHBondContact O-N 3.32Å |
| 763 | R | 90.6 | Very high | 89 | Confident | 150 Ų | 150 | 104.2 Ų | 104.2 | 57% | 0.566 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.6 | -48.5 | 173.8 | -170.9 | -176.7 | 68.8 | -171.3 | -5.6 | 111.6 | G759 E760 Y761 K765 S766 D767 | G759-R763 PolarHBondContact O-N 3.36Å; G759-R763 VanDerWaalsContact O-N 3.12Å; E760-R763 PolarHBondContact O-N 3.13Å; Y761-R763 PolarHBondContact O-N 2.97Å; R763-K765 VanDerWaalsContact C-N 3.31Å; R763-K765 PolarHBondContact O-N 3.26Å; R763-S766 WeakPolarHBondContact O-CB 3.23Å; R763-S766 PolarHBondContact O-N 3.31Å; R763-D767 PolarHBondContact O-N 3.13Å |
| 764 | L | 86.9 | Confident | 88.8 | Confident | 115 Ų | 115 | 108.6 Ų | 108.6 | 60% | 0.602 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -60.8 | -41 | 179.8 | -126.4 | 73.9 | 0 | 0 | 0 | 111.9 | E760 Y761 D767 E768 | E760-L764 PolarHBondContact O-N 3Å; Y761-L764 PolarHBondContact O-N 3.15Å; L764-D767 PolarHBondContact O-N 3.36Å; L764-E768 WeakPolarHBondContact O-CB 3.32Å; L764-E768 PolarHBondContact O-N 2.88Å |
| 765 | K | 91.6 | Very high | 88.4 | Confident | 105 Ų | 105 | 109 Ų | 109 | 46% | 0.457 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.4 | -39 | 176.7 | -173.4 | 174.8 | -176.7 | 173.7 | 0 | 112.2 | Y761 E762 R763 E768 T769 | Y761-K765 HydrophobicContact CE1-CD 4.11Å; Y761-K765 VanDerWaalsContact O-CB 3.29Å; Y761-K765 WeakPolarHBondContact O-CB 3.47Å; Y761-K765 PolarHBondContact O-N 3.22Å; E762-K765 PolarHBondContact O-N 3.36Å; R763-K765 VanDerWaalsContact C-N 3.31Å; R763-K765 PolarHBondContact O-N 3.26Å; K765-E768 PolarHBondContact O-N 3.48Å; K765-T769 VanDerWaalsContact O-CG2 3.31Å; K765-T769 WeakPolarHBondContact O-CG2 3.36Å; K765-T769 PolarHBondContact O-N 3.41Å |
| 766 | S | 90.2 | Very high | 88.3 | Confident | 74 Ų | 74 | 110.4 Ų | 110.4 | 52% | 0.517 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -60.5 | -49.6 | 172.8 | -170.5 | 0 | 0 | 0 | 0 | 111.2 | E762 R763 E768 T769 G770 | E762-S766 PolarHBondContact O-N 3.32Å; R763-S766 WeakPolarHBondContact O-CB 3.23Å; R763-S766 PolarHBondContact O-N 3.31Å; S766-E768 VanDerWaalsContact C-N 3.35Å; S766-E768 PolarHBondContact O-N 2.83Å; S766-T769 PolarHBondContact O-N 3.37Å; S766-T769 PolarHBondContact O-OG1 3.41Å; S766-G770 PolarHBondContact O-N 2.84Å |
| 767 | D | 87.8 | Confident | 88.2 | Confident | 81 Ų | 81 | 110.3 Ų | 110.3 | 43% | 0.433 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.1 | -39.6 | 178.4 | -74.5 | -17.5 | 0 | 0 | 0 | 112.6 | R763 L764 G770 R771 | R763-D767 PolarHBondContact O-N 3.13Å; L764-D767 PolarHBondContact O-N 3.36Å; D767-G770 PolarHBondContact O-N 3.32Å; D767-R771 WeakPolarHBondContact O-CG 3.47Å; D767-R771 PolarHBondContact O-N 2.62Å |
| 768 | E | 88.9 | Confident | 87.8 | Confident | 134 Ų | 134 | 110.4 Ų | 110.4 | 63% | 0.626 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -59.7 | -51.1 | 174.1 | -176.6 | -179.3 | -158.6 | 0 | 0 | 111.2 | L764 K765 S766 G770 R771 D772 | L764-E768 WeakPolarHBondContact O-CB 3.32Å; L764-E768 PolarHBondContact O-N 2.88Å; K765-E768 PolarHBondContact O-N 3.48Å; S766-E768 VanDerWaalsContact C-N 3.35Å; S766-E768 PolarHBondContact O-N 2.83Å; E768-G770 VanDerWaalsContact C-N 3.27Å; E768-G770 PolarHBondContact O-N 3.5Å; E768-R771 PolarHBondContact O-N 3.36Å; E768-R771 VanDerWaalsContact O-N 3.1Å; E768-D772 PolarHBondContact O-N 3.15Å |
| 769 | T | 87.9 | Confident | 87.5 | Confident | 64 Ų | 64 | 108.4 Ų | 108.4 | 39% | 0.393 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.1 | -31.6 | 178.2 | 67.4 | 0 | 0 | 0 | 0 | 113 | K765 S766 R773 | K765-T769 VanDerWaalsContact O-CG2 3.31Å; K765-T769 WeakPolarHBondContact O-CG2 3.36Å; K765-T769 PolarHBondContact O-N 3.41Å; S766-T769 PolarHBondContact O-N 3.37Å; S766-T769 PolarHBondContact O-OG1 3.41Å; T769-R773 WeakPolarHBondContact O-CG 3.49Å; T769-R773 PolarHBondContact O-N 3.19Å; T769-R773 VanDerWaalsContact O-N 3.15Å |
| 770 | G | 85.6 | Confident | 87.5 | Confident | 35 Ų | 35 | 111.4 Ų | 111.4 | 36% | 0.361 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -67.3 | -35.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | S766 D767 E768 K774 | S766-G770 PolarHBondContact O-N 2.84Å; D767-G770 PolarHBondContact O-N 3.32Å; E768-G770 VanDerWaalsContact C-N 3.27Å; E768-G770 PolarHBondContact O-N 3.5Å; G770-K774 PolarHBondContact O-N 3.06Å |
| 771 | R | 84.9 | Confident | 87.3 | Confident | 184 Ų | 184 | 111.4 Ų | 111.4 | 69% | 0.694 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -74.3 | -42.7 | 175.3 | -70.1 | 172.3 | -172.1 | -175.7 | 4.8 | 111.9 | D767 E768 R773 K774 L775 | D767-R771 WeakPolarHBondContact O-CG 3.47Å; D767-R771 PolarHBondContact O-N 2.62Å; E768-R771 PolarHBondContact O-N 3.36Å; E768-R771 VanDerWaalsContact O-N 3.1Å; R771-R773 VanDerWaalsContact C-N 3.34Å; R771-R773 PolarHBondContact O-N 3.23Å; R771-K774 PolarHBondContact O-N 3.47Å; R771-L775 PolarHBondContact O-N 3.49Å |
| 772 | D | 88.1 | Confident | 87.1 | Confident | 67 Ų | 67 | 107.9 Ų | 107.9 | 36% | 0.358 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -60.8 | -39.6 | 177.9 | 176.3 | 59 | 0 | 0 | 0 | 112.4 | E768 L775 K776 | E768-D772 PolarHBondContact O-N 3.15Å; D772-L775 PolarHBondContact O-N 3.22Å; D772-K776 VanDerWaalsContact CG-NZ 3.34Å; D772-K776 WeakPolarHBondContact O-CG 3.25Å; D772-K776 PolarHBondContact O-N 3.19Å; D772-K776 VanDerWaalsContact OD1-CE 3.26Å; D772-K776 WeakPolarHBondContact OD1-CE 3.44Å; D772-K776 IonicContact OD1-NZ 2.98Å; D772-K776 PolarHBondContact OD1-NZ 3.34Å; D772-K776 WeakPolarHBondContact OD2-CE 3.36Å; D772-K776 IonicContact OD2-NZ 3.69Å; D772-K776 PolarHBondContact OD2-NZ 3.44Å |
| 773 | R | 89.8 | Confident | 87 | Confident | 176 Ų | 176 | 106.7 Ų | 106.7 | 66% | 0.664 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -59.3 | -48.6 | 171.8 | -74.3 | 177.6 | -173.1 | 178.8 | 4.5 | 112.6 | T769 R771 L775 K776 E777 | T769-R773 WeakPolarHBondContact O-CG 3.49Å; T769-R773 PolarHBondContact O-N 3.19Å; T769-R773 VanDerWaalsContact O-N 3.15Å; R771-R773 VanDerWaalsContact C-N 3.34Å; R771-R773 PolarHBondContact O-N 3.23Å; R773-L775 VanDerWaalsContact C-N 3.31Å; R773-L775 PolarHBondContact O-N 3.28Å; R773-K776 PolarHBondContact O-N 3.41Å; R773-E777 PolarHBondContact O-N 3.06Å |
| 774 | K | 84.1 | Confident | 86.7 | Confident | 142 Ų | 142 | 106 Ų | 106 | 62% | 0.617 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -63.4 | -37 | 177.7 | -71.3 | -179.9 | 177.6 | -177.9 | 0 | 112.2 | G770 R771 E777 L778 | G770-K774 PolarHBondContact O-N 3.06Å; R771-K774 PolarHBondContact O-N 3.47Å; K774-E777 PolarHBondContact O-N 3.21Å; K774-L778 WeakPolarHBondContact O-CG 3.42Å; K774-L778 PolarHBondContact O-N 3.04Å |
| 775 | L | 82.3 | Confident | 86.5 | Confident | 121 Ų | 121 | 109.2 Ų | 109.2 | 63% | 0.634 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -63.4 | -43.1 | 175.8 | -159.5 | 97 | 0 | 0 | 0 | 111.1 | R771 D772 R773 L778 A779 | R771-L775 PolarHBondContact O-N 3.49Å; D772-L775 PolarHBondContact O-N 3.22Å; R773-L775 VanDerWaalsContact C-N 3.31Å; R773-L775 PolarHBondContact O-N 3.28Å; L775-L778 PolarHBondContact O-N 2.85Å; L775-A779 WeakPolarHBondContact O-CB 3.26Å; L775-A779 PolarHBondContact O-N 3.3Å |
| 776 | K | 89 | Confident | 86.1 | Confident | 116 Ų | 116 | 108.1 Ų | 108.1 | 50% | 0.504 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.5 | -38.9 | 176.8 | -75.2 | 166.2 | 177.7 | 164.9 | 0 | 113.1 | D772 R773 A779 L780 | D772-K776 VanDerWaalsContact CG-NZ 3.34Å; D772-K776 WeakPolarHBondContact O-CG 3.25Å; D772-K776 PolarHBondContact O-N 3.19Å; D772-K776 VanDerWaalsContact OD1-CE 3.26Å; D772-K776 WeakPolarHBondContact OD1-CE 3.44Å; D772-K776 IonicContact OD1-NZ 2.98Å; D772-K776 PolarHBondContact OD1-NZ 3.34Å; D772-K776 WeakPolarHBondContact OD2-CE 3.36Å; D772-K776 IonicContact OD2-NZ 3.69Å; D772-K776 PolarHBondContact OD2-NZ 3.44Å; R773-K776 PolarHBondContact O-N 3.41Å; K776-A779 PolarHBondContact O-N 3.36Å; K776-L780 WeakPolarHBondContact O-CB 3.36Å; K776-L780 WeakPolarHBondContact O-CG 3.46Å; K776-L780 PolarHBondContact O-N 2.71Å |
| 777 | E | 85.8 | Confident | 85.9 | Confident | 126 Ų | 126 | 110.3 Ų | 110.3 | 59% | 0.589 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -63.1 | -43.8 | 173.1 | -73.5 | 174.5 | 176.3 | 0 | 0 | 112 | R773 K774 L780 L781 | R773-E777 PolarHBondContact O-N 3.06Å; K774-E777 PolarHBondContact O-N 3.21Å; E777-L780 PolarHBondContact O-N 3.35Å; E777-L781 WeakPolarHBondContact O-CG 3.47Å; E777-L781 PolarHBondContact O-N 2.83Å; E777-L781 VanDerWaalsContact O-N 3.11Å |
| 778 | L | 81.6 | Confident | 85.8 | Confident | 118 Ų | 118 | 108.8 Ų | 108.8 | 62% | 0.618 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -68 | -38.2 | 177.2 | -70.5 | 172 | 0 | 0 | 0 | 112.6 | K774 L775 L781 S782 | K774-L778 WeakPolarHBondContact O-CG 3.42Å; K774-L778 PolarHBondContact O-N 3.04Å; L775-L778 PolarHBondContact O-N 2.85Å; L778-L781 PolarHBondContact O-N 3.03Å; L778-S782 PolarHBondContact O-N 3.28Å |
| 779 | A | 85.6 | Confident | 85.5 | Confident | 45 Ų | 45 | 107.2 Ų | 107.2 | 37% | 0.372 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.7 | -50.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | L775 K776 L781 S782 D783 | L775-A779 WeakPolarHBondContact O-CB 3.26Å; L775-A779 PolarHBondContact O-N 3.3Å; K776-A779 PolarHBondContact O-N 3.36Å; A779-L781 VanDerWaalsContact C-N 3.25Å; A779-L781 PolarHBondContact O-N 2.85Å; A779-S782 CarbonylContact O-C 3.51Å; A779-S782 WeakPolarHBondContact O-CA 3.25Å; A779-S782 WeakPolarHBondContact O-CB 3.44Å; A779-S782 PolarHBondContact O-N 3.19Å; A779-D783 VanDerWaalsContact O-CG 3.29Å; A779-D783 PolarHBondContact O-N 3.48Å |
| 780 | L | 88.6 | Confident | 85.3 | Confident | 104 Ų | 104 | 110.2 Ų | 110.2 | 55% | 0.545 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -59 | -32.5 | 176.6 | -80.2 | 166.7 | 0 | 0 | 0 | 113.7 | K776 E777 K784 | K776-L780 WeakPolarHBondContact O-CB 3.36Å; K776-L780 WeakPolarHBondContact O-CG 3.46Å; K776-L780 PolarHBondContact O-N 2.71Å; E777-L780 PolarHBondContact O-N 3.35Å; L780-K784 WeakPolarHBondContact O-CB 3.38Å; L780-K784 WeakPolarHBondContact O-CD 3.35Å; L780-K784 VanDerWaalsContact O-CG 3.23Å; L780-K784 WeakPolarHBondContact O-CG 3.42Å; L780-K784 PolarHBondContact O-N 3.08Å |
| 781 | L | 83.6 | Confident | 85.3 | Confident | 111 Ų | 111 | 113.3 Ų | 113.3 | 58% | 0.581 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -73.5 | -36.3 | 173.6 | -73.3 | 168.6 | 0 | 0 | 0 | 112.3 | E777 L778 A779 R785 | E777-L781 WeakPolarHBondContact O-CG 3.47Å; E777-L781 PolarHBondContact O-N 2.83Å; E777-L781 VanDerWaalsContact O-N 3.11Å; L778-L781 PolarHBondContact O-N 3.03Å; A779-L781 VanDerWaalsContact C-N 3.25Å; A779-L781 PolarHBondContact O-N 2.85Å; L781-R785 WeakPolarHBondContact O-CB 3.41Å; L781-R785 PolarHBondContact O-N 3.44Å |
| 782 | S | 85.2 | Confident | 85.1 | Confident | 72 Ų | 72 | 109.6 Ų | 109.6 | 50% | 0.503 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65.5 | -47.3 | 173.9 | -169.6 | 0 | 0 | 0 | 0 | 111.5 | L778 A779 K784 R785 E786 | L778-S782 PolarHBondContact O-N 3.28Å; A779-S782 CarbonylContact O-C 3.51Å; A779-S782 WeakPolarHBondContact O-CA 3.25Å; A779-S782 WeakPolarHBondContact O-CB 3.44Å; A779-S782 PolarHBondContact O-N 3.19Å; S782-K784 PolarHBondContact O-N 2.72Å; S782-R785 WeakPolarHBondContact O-CB 3.49Å; S782-R785 PolarHBondContact O-N 3.09Å; S782-R785 VanDerWaalsContact O-N 3.08Å; S782-E786 PolarHBondContact O-N 3.4Å |
| 783 | D | 88.7 | Confident | 85 | Confident | 100 Ų | 100 | 112.3 Ų | 112.3 | 54% | 0.535 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62.6 | -44.1 | -179.2 | -63.6 | -17.8 | 0 | 0 | 0 | 111.3 | A779 R785 E786 Q787 | A779-D783 VanDerWaalsContact O-CG 3.29Å; A779-D783 PolarHBondContact O-N 3.48Å; D783-R785 VanDerWaalsContact C-N 3.28Å; D783-R785 PolarHBondContact O-N 3.21Å; D783-E786 PolarHBondContact O-N 3.33Å; D783-Q787 WeakPolarHBondContact O-CB 3.36Å; D783-Q787 PolarHBondContact O-N 3.33Å |
| 784 | K | 85.1 | Confident | 84.6 | Confident | 136 Ų | 136 | 105.4 Ų | 105.4 | 59% | 0.591 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -59.5 | -37.7 | 173.2 | -76.2 | 174.2 | -177.4 | -179.2 | 0 | 112.7 | L780 S782 A788 | L780-K784 WeakPolarHBondContact O-CB 3.38Å; L780-K784 WeakPolarHBondContact O-CD 3.35Å; L780-K784 VanDerWaalsContact O-CG 3.23Å; L780-K784 WeakPolarHBondContact O-CG 3.42Å; L780-K784 PolarHBondContact O-N 3.08Å; S782-K784 PolarHBondContact O-N 2.72Å; K784-A788 WeakPolarHBondContact O-CB 3.48Å; K784-A788 PolarHBondContact O-N 3.49Å |
| 785 | R | 81.7 | Confident | 84.5 | Confident | 182 Ų | 182 | 104 Ų | 104 | 69% | 0.687 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -69.6 | -38.6 | 177.7 | -174.2 | -178.2 | -178.2 | -170.4 | 1 | 111.6 | L781 S782 D783 K789 | L781-R785 WeakPolarHBondContact O-CB 3.41Å; L781-R785 PolarHBondContact O-N 3.44Å; S782-R785 WeakPolarHBondContact O-CB 3.49Å; S782-R785 PolarHBondContact O-N 3.09Å; S782-R785 VanDerWaalsContact O-N 3.08Å; D783-R785 VanDerWaalsContact C-N 3.28Å; D783-R785 PolarHBondContact O-N 3.21Å; R785-K789 WeakPolarHBondContact O-CG 3.28Å; R785-K789 PolarHBondContact O-N 3.37Å |
| 786 | E | 84 | Confident | 84.4 | Confident | 83 Ų | 83 | 104.7 Ų | 104.7 | 39% | 0.388 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -75.1 | -39.4 | 178.9 | -160.8 | 57.8 | -146.4 | 0 | 0 | 111.7 | S782 D783 A788 K789 Q790 | S782-E786 PolarHBondContact O-N 3.4Å; D783-E786 PolarHBondContact O-N 3.33Å; E786-A788 PolarHBondContact O-N 3.36Å; E786-K789 WeakPolarHBondContact O-CB 3.47Å; E786-K789 PolarHBondContact O-N 3.25Å; E786-K789 VanDerWaalsContact O-N 3.15Å; E786-K789 IonicContact OE1-NZ 2.89Å; E786-K789 WeakPolarHBondContact OE2-CD 3.4Å; E786-K789 WeakPolarHBondContact OE2-CE 3.47Å; E786-K789 IonicContact OE2-NZ 2.63Å; E786-K789 PolarHBondContact OE2-NZ 3.13Å; E786-Q790 WeakPolarHBondContact O-CG 3.45Å; E786-Q790 PolarHBondContact O-N 3.48Å |
| 787 | Q | 86.8 | Confident | 84.3 | Confident | 120 Ų | 120 | 103.5 Ų | 103.5 | 56% | 0.561 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -58.5 | -46.8 | 171.2 | -174.5 | 169.8 | 10.9 | 0 | 0 | 111.2 | D783 K789 Q790 D791 | D783-Q787 WeakPolarHBondContact O-CB 3.36Å; D783-Q787 PolarHBondContact O-N 3.33Å; Q787-K789 VanDerWaalsContact C-N 3.27Å; Q787-K789 PolarHBondContact O-N 3.08Å; Q787-Q790 PolarHBondContact O-N 3.39Å; Q787-D791 VanDerWaalsContact O-CG 3.32Å; Q787-D791 PolarHBondContact O-N 3.33Å |
| 788 | A | 83.7 | Confident | 84.1 | Confident | 48 Ų | 48 | 101 Ų | 101 | 40% | 0.397 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59.5 | -33.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | K784 E786 L792 | K784-A788 WeakPolarHBondContact O-CB 3.48Å; K784-A788 PolarHBondContact O-N 3.49Å; E786-A788 PolarHBondContact O-N 3.36Å; A788-L792 WeakPolarHBondContact O-CB 3.33Å; A788-L792 WeakPolarHBondContact O-CD1 3.44Å; A788-L792 VanDerWaalsContact O-CG 3.31Å; A788-L792 WeakPolarHBondContact O-CG 3.29Å; A788-L792 PolarHBondContact O-N 2.77Å |
| 789 | K | 83.2 | Confident | 84.2 | Confident | 102 Ų | 102 | 98.3 Ų | 98.3 | 44% | 0.443 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -70.3 | -40.9 | 171.8 | -70.5 | 178.2 | -167.6 | 161.5 | 0 | 112.5 | R785 E786 Q787 L792 K793 | R785-K789 WeakPolarHBondContact O-CG 3.28Å; R785-K789 PolarHBondContact O-N 3.37Å; E786-K789 WeakPolarHBondContact O-CB 3.47Å; E786-K789 PolarHBondContact O-N 3.25Å; E786-K789 VanDerWaalsContact O-N 3.15Å; E786-K789 IonicContact OE1-NZ 2.89Å; E786-K789 WeakPolarHBondContact OE2-CD 3.4Å; E786-K789 WeakPolarHBondContact OE2-CE 3.47Å; E786-K789 IonicContact OE2-NZ 2.63Å; E786-K789 PolarHBondContact OE2-NZ 3.13Å; Q787-K789 VanDerWaalsContact C-N 3.27Å; Q787-K789 PolarHBondContact O-N 3.08Å; K789-L792 PolarHBondContact O-N 3.02Å; K789-K793 WeakPolarHBondContact O-CB 3.31Å; K789-K793 PolarHBondContact O-N 3.27Å |
| 790 | Q | 84.6 | Confident | 84.2 | Confident | 127 Ų | 127 | 99 Ų | 99 | 59% | 0.593 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -66.3 | -40.6 | 178.4 | -69.9 | -176.1 | 15.9 | 0 | 0 | 111.1 | E786 Q787 K793 G794 | E786-Q790 WeakPolarHBondContact O-CG 3.45Å; E786-Q790 PolarHBondContact O-N 3.48Å; Q787-Q790 PolarHBondContact O-N 3.39Å; Q790-K793 PolarHBondContact O-N 3.38Å; Q790-G794 PolarHBondContact O-N 2.76Å |
| 791 | D | 84.8 | Confident | 84.1 | Confident | 100 Ų | 100 | 100 Ų | 100 | 54% | 0.535 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63 | -45.5 | 173.7 | -67.4 | -24.1 | 0 | 0 | 0 | 111.1 | Q787 K793 G794 L795 | Q787-D791 VanDerWaalsContact O-CG 3.32Å; Q787-D791 PolarHBondContact O-N 3.33Å; D791-K793 PolarHBondContact O-N 3.23Å; D791-G794 PolarHBondContact O-N 2.72Å; D791-L795 WeakPolarHBondContact O-CB 3.25Å; D791-L795 PolarHBondContact O-N 2.86Å |
| 792 | L | 81.6 | Confident | 84.2 | Confident | 106 Ų | 106 | 99.9 Ų | 99.9 | 56% | 0.555 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -57.7 | -47.5 | 173.3 | -84.6 | 164.5 | 0 | 0 | 0 | 111.9 | A788 K789 L795 E796 | A788-L792 WeakPolarHBondContact O-CB 3.33Å; A788-L792 WeakPolarHBondContact O-CD1 3.44Å; A788-L792 VanDerWaalsContact O-CG 3.31Å; A788-L792 WeakPolarHBondContact O-CG 3.29Å; A788-L792 PolarHBondContact O-N 2.77Å; K789-L792 PolarHBondContact O-N 3.02Å; L792-L795 WeakPolarHBondContact O-CB 3.32Å; L792-L795 PolarHBondContact O-N 2.7Å; L792-E796 WeakPolarHBondContact O-CG 3.26Å; L792-E796 PolarHBondContact O-N 2.76Å |
| 793 | K | 84.7 | Confident | 84.2 | Confident | 123 Ų | 123 | 100 Ų | 100 | 54% | 0.535 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.2 | -40.5 | 178.6 | -173.8 | -177.7 | 174.6 | -171.3 | 0 | 112.3 | K789 Q790 D791 L795 E796 E797 | K789-K793 WeakPolarHBondContact O-CB 3.31Å; K789-K793 PolarHBondContact O-N 3.27Å; Q790-K793 PolarHBondContact O-N 3.38Å; D791-K793 PolarHBondContact O-N 3.23Å; K793-L795 VanDerWaalsContact C-N 3.29Å; K793-L795 PolarHBondContact O-N 2.74Å; K793-E796 PolarHBondContact O-N 3.15Å; K793-E797 WeakPolarHBondContact CE-OE1 3.4Å; K793-E797 WeakPolarHBondContact O-CG 3.3Å; K793-E797 PolarHBondContact O-N 3.36Å |
| 794 | G | 81.5 | Confident | 84 | Confident | 32 Ų | 32 | 100.3 Ų | 100.3 | 33% | 0.33 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.5 | -36.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q790 D791 T798 | Q790-G794 PolarHBondContact O-N 2.76Å; D791-G794 PolarHBondContact O-N 2.72Å; G794-T798 WeakPolarHBondContact O-CB 3.34Å; G794-T798 PolarHBondContact O-N 3.19Å; G794-T798 PolarHBondContact O-OG1 3.39Å |
| 795 | L | 81.6 | Confident | 84 | Confident | 112 Ų | 112 | 96.5 Ų | 96.5 | 59% | 0.586 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -66.8 | -45.1 | 172.9 | -159.7 | 81.7 | 0 | 0 | 0 | 111.4 | D791 L792 K793 E797 T798 V799 | D791-L795 WeakPolarHBondContact O-CB 3.25Å; D791-L795 PolarHBondContact O-N 2.86Å; L792-L795 WeakPolarHBondContact O-CB 3.32Å; L792-L795 PolarHBondContact O-N 2.7Å; K793-L795 VanDerWaalsContact C-N 3.29Å; K793-L795 PolarHBondContact O-N 2.74Å; L795-E797 PolarHBondContact O-N 2.9Å; L795-T798 PolarHBondContact O-N 3.41Å; L795-V799 WeakPolarHBondContact O-CB 3.29Å; L795-V799 VanDerWaalsContact O-CG2 3.31Å; L795-V799 WeakPolarHBondContact O-CG2 3.14Å; L795-V799 PolarHBondContact O-N 3.48Å |
| 796 | E | 80.7 | Confident | 84.3 | Confident | 135 Ų | 135 | 92.7 Ų | 92.7 | 63% | 0.631 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -57.9 | -46.9 | 174.6 | -74.7 | 174.9 | 169.4 | 0 | 0 | 111.9 | L792 K793 T798 V799 A800 | L792-E796 WeakPolarHBondContact O-CG 3.26Å; L792-E796 PolarHBondContact O-N 2.76Å; K793-E796 PolarHBondContact O-N 3.15Å; E796-T798 VanDerWaalsContact C-N 3.3Å; E796-T798 PolarHBondContact O-N 3.28Å; E796-V799 PolarHBondContact O-N 2.81Å; E796-A800 WeakPolarHBondContact O-CB 3.5Å; E796-A800 PolarHBondContact O-N 3.34Å |
| 797 | E | 86.5 | Confident | 84.2 | Confident | 92 Ų | 92 | 93.9 Ų | 93.9 | 43% | 0.43 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.2 | -34.6 | 176.1 | -73.8 | -176.1 | -157.6 | 0 | 0 | 112.5 | K793 L795 K801 | K793-E797 WeakPolarHBondContact CE-OE1 3.4Å; K793-E797 WeakPolarHBondContact O-CG 3.3Å; K793-E797 PolarHBondContact O-N 3.36Å; L795-E797 PolarHBondContact O-N 2.9Å; E797-K801 WeakPolarHBondContact O-CD 3.34Å; E797-K801 VanDerWaalsContact O-CG 3.27Å; E797-K801 WeakPolarHBondContact O-CG 3.49Å; E797-K801 PolarHBondContact O-N 3.43Å; E797-K801 VanDerWaalsContact O-N 3.08Å |
| 798 | T | 83.1 | Confident | 84.2 | Confident | 74 Ų | 74 | 91.8 Ų | 91.8 | 45% | 0.454 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -71.4 | -45.3 | 176.4 | -57.7 | 0 | 0 | 0 | 0 | 111 | G794 L795 E796 A800 K801 E802 | G794-T798 WeakPolarHBondContact O-CB 3.34Å; G794-T798 PolarHBondContact O-N 3.19Å; G794-T798 PolarHBondContact O-OG1 3.39Å; L795-T798 PolarHBondContact O-N 3.41Å; E796-T798 VanDerWaalsContact C-N 3.3Å; E796-T798 PolarHBondContact O-N 3.28Å; T798-A800 VanDerWaalsContact C-N 3.31Å; T798-A800 PolarHBondContact O-N 2.92Å; T798-K801 PolarHBondContact O-N 3.41Å; T798-E802 PolarHBondContact O-N 3.06Å |
| 799 | V | 83.4 | Confident | 84.3 | Confident | 60 Ų | 60 | 94.7 Ų | 94.7 | 36% | 0.364 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.6 | -39.7 | 174.6 | 170 | 0 | 0 | 0 | 0 | 110.9 | L795 E796 E802 L803 | L795-V799 WeakPolarHBondContact O-CB 3.29Å; L795-V799 VanDerWaalsContact O-CG2 3.31Å; L795-V799 WeakPolarHBondContact O-CG2 3.14Å; L795-V799 PolarHBondContact O-N 3.48Å; E796-V799 PolarHBondContact O-N 2.81Å; V799-E802 PolarHBondContact O-N 3.25Å; V799-L803 HydrophobicContact CG1-CD1 3.85Å; V799-L803 HydrophobicContact CG1-CG 4.31Å; V799-L803 WeakPolarHBondContact O-CB 3.4Å; V799-L803 VanDerWaalsContact O-CG 3.24Å; V799-L803 WeakPolarHBondContact O-CG 3.33Å; V799-L803 PolarHBondContact O-N 2.9Å |
| 800 | A | 84.2 | Confident | 84.5 | Confident | 59 Ų | 59 | 98 Ų | 98 | 49% | 0.488 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.1 | -41.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | E796 T798 Q804 | E796-A800 WeakPolarHBondContact O-CB 3.5Å; E796-A800 PolarHBondContact O-N 3.34Å; T798-A800 VanDerWaalsContact C-N 3.31Å; T798-A800 PolarHBondContact O-N 2.92Å; A800-Q804 PolarHBondContact O-N 3.26Å; A800-Q804 VanDerWaalsContact O-N 3.14Å |
| 801 | K | 87.3 | Confident | 84.5 | Confident | 126 Ų | 126 | 97.8 Ų | 97.8 | 55% | 0.548 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.1 | -45.5 | 174.2 | -73.3 | 163.6 | -171.5 | 160 | 0 | 111.6 | E797 T798 Q804 T805 | E797-K801 WeakPolarHBondContact O-CD 3.34Å; E797-K801 VanDerWaalsContact O-CG 3.27Å; E797-K801 WeakPolarHBondContact O-CG 3.49Å; E797-K801 PolarHBondContact O-N 3.43Å; E797-K801 VanDerWaalsContact O-N 3.08Å; T798-K801 PolarHBondContact O-N 3.41Å; K801-Q804 WeakPolarHBondContact O-CB 3.32Å; K801-Q804 PolarHBondContact O-N 3.27Å; K801-Q804 VanDerWaalsContact O-N 3.1Å; K801-T805 PolarHBondContact O-N 3.48Å; K801-T805 PolarHBondContact O-OG1 3.14Å |
| 802 | E | 85.9 | Confident | 84.5 | Confident | 109 Ų | 109 | 98.1 Ų | 98.1 | 51% | 0.509 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -69.5 | -32.5 | 179.7 | -69.2 | -57.7 | 163.6 | 0 | 0 | 113.3 | T798 V799 Q804 T805 L806 | T798-E802 PolarHBondContact O-N 3.06Å; V799-E802 PolarHBondContact O-N 3.25Å; E802-Q804 VanDerWaalsContact C-N 3.28Å; E802-Q804 PolarHBondContact O-N 3.44Å; E802-T805 VanDerWaalsContact CA-OG1 3.28Å; E802-T805 WeakPolarHBondContact CA-OG1 3.39Å; E802-T805 PolarHBondContact O-N 3.07Å; E802-T805 PolarHBondContact O-OG1 3.49Å; E802-T805 PolarHBondContact OE2-OG1 3.41Å; E802-L806 VanDerWaalsContact O-CB 3.23Å; E802-L806 WeakPolarHBondContact O-CB 3.21Å; E802-L806 WeakPolarHBondContact O-CG 3.43Å; E802-L806 PolarHBondContact O-N 2.6Å |
| 803 | L | 85.8 | Confident | 84.5 | Confident | 74 Ų | 74 | 99 Ų | 99 | 39% | 0.387 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.7 | -34.9 | 169.4 | -74.9 | 169.4 | 0 | 0 | 0 | 111.5 | V799 H807 V861 | V799-L803 HydrophobicContact CG1-CD1 3.85Å; V799-L803 HydrophobicContact CG1-CG 4.31Å; V799-L803 WeakPolarHBondContact O-CB 3.4Å; V799-L803 VanDerWaalsContact O-CG 3.24Å; V799-L803 WeakPolarHBondContact O-CG 3.33Å; V799-L803 PolarHBondContact O-N 2.9Å; L803-H807 VanDerWaalsContact O-CB 3.3Å; L803-H807 WeakPolarHBondContact O-CB 3.37Å; L803-H807 PolarHBondContact O-N 3.18Å; L803-V861 HydrophobicContact CD2-CG2 4.33Å |
| 804 | Q | 84.9 | Confident | 84.3 | Confident | 106 Ų | 106 | 96.4 Ų | 96.4 | 50% | 0.495 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -74.2 | -38.7 | 176.5 | -168.5 | 62.4 | 47.8 | 0 | 0 | 112.7 | A800 K801 E802 H807 N808 | A800-Q804 PolarHBondContact O-N 3.26Å; A800-Q804 VanDerWaalsContact O-N 3.14Å; K801-Q804 WeakPolarHBondContact O-CB 3.32Å; K801-Q804 PolarHBondContact O-N 3.27Å; K801-Q804 VanDerWaalsContact O-N 3.1Å; E802-Q804 VanDerWaalsContact C-N 3.28Å; E802-Q804 PolarHBondContact O-N 3.44Å; Q804-H807 PolarHBondContact O-N 3.34Å; Q804-N808 PolarHBondContact NE2-OD1 2.87Å; Q804-N808 WeakPolarHBondContact O-CB 3.42Å; Q804-N808 PolarHBondContact O-N 3.02Å; Q804-N808 PolarHBondContact O-ND2 3.3Å |
| 805 | T | 84.7 | Confident | 84.3 | Confident | 57 Ų | 57 | 99.1 Ų | 99.1 | 35% | 0.35 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.4 | -45.1 | 172.5 | 57.1 | 0 | 0 | 0 | 0 | 110.6 | K801 E802 H807 N808 L809 | K801-T805 PolarHBondContact O-N 3.48Å; K801-T805 PolarHBondContact O-OG1 3.14Å; E802-T805 VanDerWaalsContact CA-OG1 3.28Å; E802-T805 WeakPolarHBondContact CA-OG1 3.39Å; E802-T805 PolarHBondContact O-N 3.07Å; E802-T805 PolarHBondContact O-OG1 3.49Å; E802-T805 PolarHBondContact OE2-OG1 3.41Å; T805-H807 VanDerWaalsContact C-N 3.33Å; T805-H807 PolarHBondContact O-N 3.32Å; T805-N808 PolarHBondContact O-N 3.45Å; T805-L809 WeakPolarHBondContact O-CB 3.43Å; T805-L809 WeakPolarHBondContact O-CG 3.35Å; T805-L809 PolarHBondContact O-N 3.43Å |
| 806 | L | 86.6 | Confident | 84.1 | Confident | 102 Ų | 102 | 96.1 Ų | 96.1 | 53% | 0.534 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -58.5 | -41.1 | 172.7 | -83.6 | 163.8 | 0 | 0 | 0 | 112.3 | E802 R810 | E802-L806 VanDerWaalsContact O-CB 3.23Å; E802-L806 WeakPolarHBondContact O-CB 3.21Å; E802-L806 WeakPolarHBondContact O-CG 3.43Å; E802-L806 PolarHBondContact O-N 2.6Å; L806-R810 WeakPolarHBondContact O-CB 3.38Å; L806-R810 PolarHBondContact O-N 3.43Å |
| 807 | H | 83 | Confident | 83.7 | Confident | 107 Ų | 107 | 93.1 Ų | 93.1 | 50% | 0.495 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -63.7 | -43.8 | 175.7 | -172 | 92.8 | 0 | 0 | 0 | 111.8 | L803 Q804 T805 R810 K811 | L803-H807 VanDerWaalsContact O-CB 3.3Å; L803-H807 WeakPolarHBondContact O-CB 3.37Å; L803-H807 PolarHBondContact O-N 3.18Å; Q804-H807 PolarHBondContact O-N 3.34Å; T805-H807 VanDerWaalsContact C-N 3.33Å; T805-H807 PolarHBondContact O-N 3.32Å; H807-R810 PolarHBondContact O-N 2.92Å; H807-K811 WeakPolarHBondContact O-CB 3.45Å; H807-K811 PolarHBondContact O-N 2.71Å |
| 808 | N | 86.5 | Confident | 83.1 | Confident | 77 Ų | 77 | 94.1 Ų | 94.1 | 41% | 0.412 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -66.1 | -43.6 | 177.3 | -70.1 | -17.4 | 0 | 0 | 0 | 111.9 | Q804 T805 K811 L812 | Q804-N808 PolarHBondContact NE2-OD1 2.87Å; Q804-N808 WeakPolarHBondContact O-CB 3.42Å; Q804-N808 PolarHBondContact O-N 3.02Å; Q804-N808 PolarHBondContact O-ND2 3.3Å; T805-N808 PolarHBondContact O-N 3.45Å; N808-K811 WeakPolarHBondContact O-CB 3.29Å; N808-K811 PolarHBondContact O-N 3.39Å; N808-L812 WeakPolarHBondContact O-CG 3.35Å; N808-L812 PolarHBondContact O-N 3.46Å |
| 809 | L | 86.3 | Confident | 82.7 | Confident | 108 Ų | 108 | 96.1 Ų | 96.1 | 57% | 0.565 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -62.8 | -43.9 | 174.7 | -74.5 | 171.8 | 0 | 0 | 0 | 111.4 | T805 K811 L812 F813 | T805-L809 WeakPolarHBondContact O-CB 3.43Å; T805-L809 WeakPolarHBondContact O-CG 3.35Å; T805-L809 PolarHBondContact O-N 3.43Å; L809-K811 VanDerWaalsContact C-N 3.31Å; L809-K811 PolarHBondContact O-N 3.34Å; L809-L812 PolarHBondContact O-N 3.46Å; L809-F813 VanDerWaalsContact O-CB 3.24Å; L809-F813 WeakPolarHBondContact O-CB 3.41Å; L809-F813 PolarHBondContact O-N 2.78Å |
| 810 | R | 86.3 | Confident | 81.9 | Confident | 171 Ų | 171 | 100.5 Ų | 100.5 | 65% | 0.645 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -59.6 | -41.6 | 173.7 | -179.5 | -178.8 | 175.2 | -157 | -1.7 | 111.4 | L806 H807 F813 I814 | L806-R810 WeakPolarHBondContact O-CB 3.38Å; L806-R810 PolarHBondContact O-N 3.43Å; H807-R810 PolarHBondContact O-N 2.92Å; R810-F813 PolarHBondContact O-N 3.4Å; R810-I814 HydrophobicContact CG-CD1 3.86Å; R810-I814 HydrophobicContact CG-CG1 4.47Å; R810-I814 WeakPolarHBondContact O-CB 3.36Å; R810-I814 VanDerWaalsContact O-CG1 3.24Å; R810-I814 WeakPolarHBondContact O-CG1 3.34Å; R810-I814 PolarHBondContact O-N 2.76Å |
| 811 | K | 86 | Confident | 80.8 | Confident | 124 Ų | 124 | 104.3 Ų | 104.3 | 54% | 0.539 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.3 | -45.6 | 177.1 | -176.4 | 177.4 | 176.9 | -179.9 | 0 | 111.7 | H807 N808 L809 Q815 | H807-K811 WeakPolarHBondContact O-CB 3.45Å; H807-K811 PolarHBondContact O-N 2.71Å; N808-K811 WeakPolarHBondContact O-CB 3.29Å; N808-K811 PolarHBondContact O-N 3.39Å; L809-K811 VanDerWaalsContact C-N 3.31Å; L809-K811 PolarHBondContact O-N 3.34Å; K811-Q815 WeakPolarHBondContact O-CG 3.26Å; K811-Q815 PolarHBondContact O-N 2.89Å; K811-Q815 VanDerWaalsContact O-N 3.12Å |
| 812 | L | 84.9 | Confident | 79.4 | Confident | 106 Ų | 106 | 106.8 Ų | 106.8 | 56% | 0.555 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.2 | -42.8 | 174.7 | -71.4 | 168.3 | 0 | 0 | 0 | 111.9 | N808 L809 Q815 D816 | N808-L812 WeakPolarHBondContact O-CG 3.35Å; N808-L812 PolarHBondContact O-N 3.46Å; L809-L812 PolarHBondContact O-N 3.46Å; L812-Q815 WeakPolarHBondContact O-CB 3.24Å; L812-Q815 PolarHBondContact O-N 2.81Å; L812-D816 WeakPolarHBondContact O-CB 3.49Å; L812-D816 PolarHBondContact O-N 2.76Å |
| 813 | F | 81.5 | Confident | 77.3 | Confident | 126 Ų | 126 | 111 Ų | 111 | 55% | 0.553 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -66.6 | -36.8 | 179.1 | -172.9 | -106.7 | 0 | 0 | 0 | 112.6 | L809 R810 D816 L817 | L809-F813 VanDerWaalsContact O-CB 3.24Å; L809-F813 WeakPolarHBondContact O-CB 3.41Å; L809-F813 PolarHBondContact O-N 2.78Å; R810-F813 PolarHBondContact O-N 3.4Å; F813-D816 PolarHBondContact O-N 3.34Å; F813-L817 HydrophobicContact CD1-CD1 3.78Å; F813-L817 HydrophobicContact CD1-CG 4.39Å; F813-L817 HydrophobicContact CE1-CD1 3.35Å; F813-L817 HydrophobicContact CE1-CG 4.03Å; F813-L817 HydrophobicContact CZ-CD1 3.91Å; F813-L817 HydrophobicContact CZ-CG 4.15Å; F813-L817 VanDerWaalsContact O-CB 3.3Å; F813-L817 WeakPolarHBondContact O-CB 3.38Å; F813-L817 PolarHBondContact O-N 3.5Å |
| 814 | I | 80.5 | Confident | 75 | Confident | 68 Ų | 68 | 112.9 Ų | 112.9 | 35% | 0.349 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.9 | -40.7 | 171.5 | -71.3 | 166.4 | 0 | 0 | 0 | 110.6 | R810 Q818 | R810-I814 HydrophobicContact CG-CD1 3.86Å; R810-I814 HydrophobicContact CG-CG1 4.47Å; R810-I814 WeakPolarHBondContact O-CB 3.36Å; R810-I814 VanDerWaalsContact O-CG1 3.24Å; R810-I814 WeakPolarHBondContact O-CG1 3.34Å; R810-I814 PolarHBondContact O-N 2.76Å; I814-Q818 WeakPolarHBondContact O-CB 3.39Å; I814-Q818 WeakPolarHBondContact O-CG 3.27Å; I814-Q818 PolarHBondContact O-N 3.36Å |
| 815 | Q | 79.9 | Confident | 72.8 | Confident | 89 Ų | 89 | 113.6 Ų | 113.6 | 42% | 0.416 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -65.5 | -42.9 | 175.5 | -73.3 | 177.4 | -21.1 | 0 | 0 | 112 | K811 L812 Q818 Q819 | K811-Q815 WeakPolarHBondContact O-CG 3.26Å; K811-Q815 PolarHBondContact O-N 2.89Å; K811-Q815 VanDerWaalsContact O-N 3.12Å; L812-Q815 WeakPolarHBondContact O-CB 3.24Å; L812-Q815 PolarHBondContact O-N 2.81Å; Q815-Q818 PolarHBondContact O-N 3.1Å; Q815-Q819 VanDerWaalsContact O-CG 3.32Å; Q815-Q819 WeakPolarHBondContact O-CG 3.2Å; Q815-Q819 PolarHBondContact O-N 2.78Å |
| 816 | D | 79 | Confident | 70.5 | Confident | 49 Ų | 49 | 117.2 Ų | 117.2 | 26% | 0.262 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -66.8 | -44.6 | 176.9 | -176.4 | 35.1 | 0 | 0 | 0 | 111.5 | L812 F813 Q818 Q819 R820 | L812-D816 WeakPolarHBondContact O-CB 3.49Å; L812-D816 PolarHBondContact O-N 2.76Å; F813-D816 PolarHBondContact O-N 3.34Å; D816-Q818 VanDerWaalsContact C-N 3.34Å; D816-Q818 PolarHBondContact O-N 3.18Å; D816-Q819 CarbonylContact O-C 3.56Å; D816-Q819 WeakPolarHBondContact O-CA 3.25Å; D816-Q819 WeakPolarHBondContact O-CB 3.49Å; D816-Q819 PolarHBondContact O-N 3.07Å; D816-R820 VanDerWaalsContact CG-NE 3.28Å; D816-R820 WeakPolarHBondContact O-CG 3.43Å; D816-R820 PolarHBondContact O-N 3.06Å; D816-R820 IonicContact OD1-CZ 3.23Å; D816-R820 IonicContact OD1-NE 3.86Å; D816-R820 PolarHBondContact OD1-NE 3.35Å; D816-R820 IonicContact OD1-NH2 3.32Å; D816-R820 IonicContact OD2-CZ 2.71Å; D816-R820 IonicContact OD2-NE 3.35Å; D816-R820 PolarHBondContact OD2-NE 3.26Å; D816-R820 IonicContact OD2-NH2 2.62Å; D816-R820 PolarHBondContact OD2-NH2 3.44Å |
| 817 | L | 72.6 | Confident | 67.9 | Low | 71 Ų | 71 | 115.6 Ų | 115.6 | 37% | 0.372 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -57.8 | -43.9 | 170.4 | -89 | 173.3 | 0 | 0 | 0 | 112.1 | F813 Q819 R820 I821 | F813-L817 HydrophobicContact CD1-CD1 3.78Å; F813-L817 HydrophobicContact CD1-CG 4.39Å; F813-L817 HydrophobicContact CE1-CD1 3.35Å; F813-L817 HydrophobicContact CE1-CG 4.03Å; F813-L817 HydrophobicContact CZ-CD1 3.91Å; F813-L817 HydrophobicContact CZ-CG 4.15Å; F813-L817 VanDerWaalsContact O-CB 3.3Å; F813-L817 WeakPolarHBondContact O-CB 3.38Å; F813-L817 PolarHBondContact O-N 3.5Å; L817-Q819 PolarHBondContact O-N 3.49Å; L817-R820 PolarHBondContact O-N 3.15Å; L817-I821 VanDerWaalsContact O-CB 3.27Å; L817-I821 WeakPolarHBondContact O-CB 3.45Å; L817-I821 WeakPolarHBondContact O-CG1 3.36Å; L817-I821 PolarHBondContact O-N 2.76Å |
| 818 | Q | 73.9 | Confident | 66.1 | Low | 113 Ų | 113 | 115.7 Ų | 115.7 | 53% | 0.528 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -63.5 | -27.5 | 175.1 | -76.4 | 174.1 | -1.6 | 0 | 0 | 112.7 | I814 Q815 D816 K822 | I814-Q818 WeakPolarHBondContact O-CB 3.39Å; I814-Q818 WeakPolarHBondContact O-CG 3.27Å; I814-Q818 PolarHBondContact O-N 3.36Å; Q815-Q818 PolarHBondContact O-N 3.1Å; D816-Q818 VanDerWaalsContact C-N 3.34Å; D816-Q818 PolarHBondContact O-N 3.18Å; Q818-K822 WeakPolarHBondContact O-CB 3.31Å; Q818-K822 WeakPolarHBondContact O-CD 3.29Å; Q818-K822 WeakPolarHBondContact O-CG 3.2Å |
| 819 | Q | 72.7 | Confident | 63.4 | Low | 116 Ų | 116 | 121.1 Ų | 121.1 | 54% | 0.542 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -80.4 | -41.5 | 173.9 | -71.8 | 178 | 33.2 | 0 | 0 | 112.3 | Q815 D816 L817 K822 R823 | Q815-Q819 VanDerWaalsContact O-CG 3.32Å; Q815-Q819 WeakPolarHBondContact O-CG 3.2Å; Q815-Q819 PolarHBondContact O-N 2.78Å; D816-Q819 CarbonylContact O-C 3.56Å; D816-Q819 WeakPolarHBondContact O-CA 3.25Å; D816-Q819 WeakPolarHBondContact O-CB 3.49Å; D816-Q819 PolarHBondContact O-N 3.07Å; L817-Q819 PolarHBondContact O-N 3.49Å; Q819-K822 CarbonylContact O-C 3.6Å; Q819-K822 WeakPolarHBondContact O-CB 3.37Å; Q819-K822 PolarHBondContact O-N 3.26Å; Q819-R823 WeakPolarHBondContact O-CB 3.3Å; Q819-R823 PolarHBondContact O-N 3.21Å |
| 820 | R | 68.6 | Low | 60.7 | Low | 153 Ų | 153 | 123.9 Ų | 123.9 | 58% | 0.577 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -73 | -35.8 | 178.4 | -66.1 | -174.5 | -161.3 | -152.9 | 13.5 | 113.2 | D816 L817 K822 R823 T824 | D816-R820 VanDerWaalsContact CG-NE 3.28Å; D816-R820 WeakPolarHBondContact O-CG 3.43Å; D816-R820 PolarHBondContact O-N 3.06Å; D816-R820 IonicContact OD1-CZ 3.23Å; D816-R820 IonicContact OD1-NE 3.86Å; D816-R820 PolarHBondContact OD1-NE 3.35Å; D816-R820 IonicContact OD1-NH2 3.32Å; D816-R820 IonicContact OD2-CZ 2.71Å; D816-R820 IonicContact OD2-NE 3.35Å; D816-R820 PolarHBondContact OD2-NE 3.26Å; D816-R820 IonicContact OD2-NH2 2.62Å; D816-R820 PolarHBondContact OD2-NH2 3.44Å; L817-R820 PolarHBondContact O-N 3.15Å; R820-K822 PolarHBondContact O-N 3.41Å; R820-R823 WeakPolarHBondContact CA-O 3.41Å; R820-R823 CarbonylContact O-C 3.53Å; R820-R823 PolarHBondContact O-N 3.03Å; R820-T824 PolarHBondContact O-N 3.43Å; R820-T824 VanDerWaalsContact O-N 3.09Å |
| 821 | I | 61.1 | Low | 58 | Low | 139 Ų | 139 | 122.8 Ų | 122.8 | 71% | 0.713 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -63.3 | -33.8 | 170 | -69.3 | 166.4 | 0 | 0 | 0 | 110.4 | L817 R823 | L817-I821 VanDerWaalsContact O-CB 3.27Å; L817-I821 WeakPolarHBondContact O-CB 3.45Å; L817-I821 WeakPolarHBondContact O-CG1 3.36Å; L817-I821 PolarHBondContact O-N 2.76Å; I821-R823 VanDerWaalsContact C-N 3.31Å |
| 822 | K | 56.7 | Low | 55.6 | Low | 178 Ų | 178 | 125.9 Ų | 125.9 | 77% | 0.774 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.1 | -12.9 | 171.6 | -72.9 | 177.1 | -177.9 | 179.8 | 0 | 113.8 | Q818 Q819 R820 | Q818-K822 WeakPolarHBondContact O-CB 3.31Å; Q818-K822 WeakPolarHBondContact O-CD 3.29Å; Q818-K822 WeakPolarHBondContact O-CG 3.2Å; Q819-K822 CarbonylContact O-C 3.6Å; Q819-K822 WeakPolarHBondContact O-CB 3.37Å; Q819-K822 PolarHBondContact O-N 3.26Å; R820-K822 PolarHBondContact O-N 3.41Å |
| 823 | R | 41.3 | Very low | 53.1 | Low | 196 Ų | 196 | 129.4 Ų | 129.4 | 74% | 0.74 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -154.8 | 80.5 | -172.3 | -61.8 | -179.3 | 176.9 | -179.5 | -1.9 | 110.7 | Q819 R820 I821 | Q819-R823 WeakPolarHBondContact O-CB 3.3Å; Q819-R823 PolarHBondContact O-N 3.21Å; R820-R823 WeakPolarHBondContact CA-O 3.41Å; R820-R823 CarbonylContact O-C 3.53Å; R820-R823 PolarHBondContact O-N 3.03Å; I821-R823 VanDerWaalsContact C-N 3.31Å |
| 824 | T | 38.3 | Very low | 50.8 | Low | 115 Ų | 115 | 129.7 Ų | 129.7 | 71% | 0.706 | 66% | 0.657 | S | S | * | * | trans | 164.3 | 118.6 | 144.1 | -80.6 | 0 | 0 | 0 | 0 | 109.9 | R820 | R820-T824 PolarHBondContact O-N 3.43Å; R820-T824 VanDerWaalsContact O-N 3.09Å | ||
| 825 | P | 37.6 | Very low | 49.1 | Very low | 121 Ų | 121 | 130 Ų | 130 | 79% | 0.786 | 66% | 0.664 | S | S | * | * | trans | -67.6 | 136.2 | 159.2 | -9.9 | 26.3 | 0 | 0 | 0 | 109.9 | G827 | P825-G827 PolarHBondContact O-N 3.19Š| ||
| 826 | V | 36.3 | Very low | 48 | Very low | 133 Ų | 133 | 128.7 Ų | 128.7 | 81% | 0.806 | 67% | 0.665 | S | S | * | * | trans | -45.4 | 129 | 171.1 | -174.7 | 0 | 0 | 0 | 0 | 109.4 | P828 | V826-P828 HydrophobicContact CG1-CG 4.26Š| ||
| 827 | G | 33 | Very low | 46.9 | Very low | 68 Ų | 68 | 133.6 Ų | 133.6 | 70% | 0.701 | 69% | 0.689 | S | S | * | * | cis | 97.7 | -171.7 | 47.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | P825 | P825-G827 PolarHBondContact O-N 3.19Š| ||
| 828 | P | 44.2 | Very low | 46 | Very low | 109 Ų | 109 | 133.7 Ų | 133.7 | 71% | 0.708 | 70% | 0.699 | S | S | * | * | cis | -137 | 135.6 | -26 | 36 | -18.1 | 0 | 0 | 0 | 113.5 | V826 | V826-P828 HydrophobicContact CG1-CG 4.26Š| ||
| 829 | E | 31.4 | Very low | 45.1 | Very low | 190 Ų | 190 | 133.3 Ų | 133.3 | 89% | 0.888 | 70% | 0.697 | S | S | * | * | trans | -140 | 151.8 | 163.6 | -74.3 | 178.2 | 173.1 | 0 | 0 | 106.7 | ||||
| 830 | E | 28.7 | Very low | 44.7 | Very low | 167 Ų | 167 | 133.3 Ų | 133.3 | 78% | 0.78 | 70% | 0.696 | S | S | * | * | cis | 156.6 | 175.7 | -18.7 | -102.7 | -173.6 | 175.5 | 0 | 0 | 105.4 | ||||
| 831 | D | 29.2 | Very low | 44.7 | Very low | 147 Ų | 147 | 132.7 Ų | 132.7 | 79% | 0.786 | 70% | 0.699 | S | S | * | * | trans | 84.6 | 159.7 | 159.8 | -74 | -27.6 | 0 | 0 | 0 | 124.6 | ||||
| 832 | E | 36.5 | Very low | 45.2 | Very low | 189 Ų | 189 | 133.5 Ų | 133.5 | 88% | 0.883 | 70% | 0.698 | S | S | * | * | trans | 71.7 | 96.5 | -179.8 | -57.1 | -158.1 | 134.3 | 0 | 0 | 116.8 | ||||
| 833 | F | 31.4 | Very low | 45.9 | Very low | 181 Ų | 181 | 128.2 Ų | 128.2 | 79% | 0.794 | 68% | 0.677 | S | S | * | * | cis | 94.6 | 104.5 | 18.9 | -144 | -113 | 0 | 0 | 0 | 116.8 | ||||
| 834 | I | 35.1 | Very low | 47.7 | Very low | 132 Ų | 132 | 123.9 Ų | 123.9 | 68% | 0.677 | 67% | 0.668 | S | S | * | * | trans | 70.4 | 109.7 | 157.1 | -60.4 | -175.1 | 0 | 0 | 0 | 120.3 | ||||
| 835 | S | 44.1 | Very low | 49.6 | Very low | 73 Ų | 73 | 125 Ų | 125 | 51% | 0.51 | 66% | 0.663 | S | S | . | * | -142.1 | 143.8 | 129.2 | 72.5 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 836 | S | 55.5 | Low | 51.7 | Low | 63 Ų | 63 | 124.1 Ų | 124.1 | 44% | 0.441 | 65% | 0.652 | S | S | . | * | trans | 40.3 | 114.8 | 159.6 | -173.7 | 0 | 0 | 0 | 0 | 121.2 | A838 Q839 K840 | S836-A838 PolarHBondContact O-N 3.04Å; S836-Q839 CarbonylContact O-C 3.59Å; S836-Q839 WeakPolarHBondContact O-CB 3.4Å; S836-Q839 PolarHBondContact O-N 2.86Å; S836-Q839 PolarHBondContact OG-N 3.48Å; S836-K840 PolarHBondContact O-N 2.71Å | ||
| 837 | M | 55.9 | Low | 53.7 | Low | 152 Ų | 152 | 122.8 Ų | 122.8 | 75% | 0.749 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -60.5 | -38.8 | 175.8 | -110.5 | -84.1 | -82 | 0 | 0 | 115.1 | Q839 K840 Q841 | M837-Q839 VanDerWaalsContact C-N 3.33Å; M837-K840 WeakPolarHBondContact O-CB 3.25Å; M837-K840 PolarHBondContact O-N 3.46Å; M837-Q841 PolarHBondContact O-N 3.12Å |
| 838 | A | 54.3 | Low | 56.1 | Low | 72 Ų | 72 | 124 Ų | 124 | 60% | 0.595 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -71.3 | -33.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | S836 Q841 K842 | S836-A838 PolarHBondContact O-N 3.04Å; A838-Q841 PolarHBondContact O-N 3.48Å; A838-K842 PolarHBondContact O-N 3.3Å; A838-K842 VanDerWaalsContact O-N 3.14Å |
| 839 | Q | 55.6 | Low | 57.8 | Low | 105 Ų | 105 | 122.4 Ų | 122.4 | 49% | 0.491 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -67.2 | -42 | 171 | -153.7 | 170 | -19.4 | 0 | 0 | 110 | S836 M837 Q841 K842 I843 | S836-Q839 CarbonylContact O-C 3.59Å; S836-Q839 WeakPolarHBondContact O-CB 3.4Å; S836-Q839 PolarHBondContact O-N 2.86Å; S836-Q839 PolarHBondContact OG-N 3.48Å; M837-Q839 VanDerWaalsContact C-N 3.33Å; Q839-Q841 PolarHBondContact O-N 3.06Å; Q839-K842 PolarHBondContact O-N 3.18Å; Q839-I843 HydrophobicContact CG-CD1 3.96Å; Q839-I843 VanDerWaalsContact O-CB 3.24Å; Q839-I843 WeakPolarHBondContact O-CB 3.4Å; Q839-I843 WeakPolarHBondContact O-CD1 3.18Å; Q839-I843 WeakPolarHBondContact O-CG1 3.18Å; Q839-I843 PolarHBondContact O-N 2.57Å |
| 840 | K | 64.9 | Low | 60.4 | Low | 117 Ų | 117 | 118.8 Ų | 118.8 | 51% | 0.509 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -55.3 | -45 | 170.2 | -82.7 | -171.2 | 171.3 | -173.1 | 0 | 113.4 | S836 M837 I843 L844 | S836-K840 PolarHBondContact O-N 2.71Å; M837-K840 WeakPolarHBondContact O-CB 3.25Å; M837-K840 PolarHBondContact O-N 3.46Å; K840-I843 PolarHBondContact O-N 3.26Å; K840-L844 VanDerWaalsContact O-CB 3.32Å; K840-L844 WeakPolarHBondContact O-CB 3.46Å; K840-L844 WeakPolarHBondContact O-CD1 3.5Å; K840-L844 VanDerWaalsContact O-CG 3.22Å; K840-L844 WeakPolarHBondContact O-CG 3.06Å; K840-L844 PolarHBondContact O-N 2.71Å |
| 841 | Q | 67 | Low | 62.8 | Low | 140 Ų | 140 | 113.8 Ų | 113.8 | 65% | 0.654 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -64.7 | -40.5 | 177.1 | -94.6 | -173.2 | -21 | 0 | 0 | 112.8 | M837 A838 Q839 L844 F845 | M837-Q841 PolarHBondContact O-N 3.12Å; A838-Q841 PolarHBondContact O-N 3.48Å; Q839-Q841 PolarHBondContact O-N 3.06Å; Q841-L844 PolarHBondContact O-N 3.46Å; Q841-F845 PolarHBondContact O-N 3.39Å |
| 842 | K | 71.6 | Confident | 65.3 | Low | 155 Ų | 155 | 112 Ų | 112 | 67% | 0.674 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -70.9 | -36.3 | 177.9 | -157.9 | 170.3 | -173.6 | 177.6 | 0 | 111.8 | A838 Q839 L846 | A838-K842 PolarHBondContact O-N 3.3Å; A838-K842 VanDerWaalsContact O-N 3.14Å; Q839-K842 PolarHBondContact O-N 3.18Å; K842-L846 WeakPolarHBondContact O-CB 3.35Å; K842-L846 WeakPolarHBondContact O-CD1 3.48Å; K842-L846 VanDerWaalsContact O-CG 3.26Å; K842-L846 WeakPolarHBondContact O-CG 3.4Å; K842-L846 PolarHBondContact O-N 3.11Å; K842-L846 VanDerWaalsContact O-N 3.11Å |
| 843 | I | 73 | Confident | 67.6 | Low | 68 Ų | 68 | 109.2 Ų | 109.2 | 35% | 0.349 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -60.7 | -54.1 | 169.1 | -75.1 | 162.2 | 0 | 0 | 0 | 109.4 | Q839 K840 F845 L846 E847 | Q839-I843 HydrophobicContact CG-CD1 3.96Å; Q839-I843 VanDerWaalsContact O-CB 3.24Å; Q839-I843 WeakPolarHBondContact O-CB 3.4Å; Q839-I843 WeakPolarHBondContact O-CD1 3.18Å; Q839-I843 WeakPolarHBondContact O-CG1 3.18Å; Q839-I843 PolarHBondContact O-N 2.57Å; K840-I843 PolarHBondContact O-N 3.26Å; I843-F845 VanDerWaalsContact C-N 3.3Å; I843-F845 PolarHBondContact O-N 2.8Å; I843-L846 CarbonylContact O-C 3.58Å; I843-L846 WeakPolarHBondContact O-CA 3.49Å; I843-L846 WeakPolarHBondContact O-CB 3.44Å; I843-L846 PolarHBondContact O-N 3.49Å; I843-E847 HydrophobicContact CG2-CG 3.83Å; I843-E847 VanDerWaalsContact CG2-OE1 3.24Å; I843-E847 WeakPolarHBondContact CG2-OE1 3.24Å; I843-E847 WeakPolarHBondContact O-CB 3.16Å; I843-E847 WeakPolarHBondContact O-CG 3.49Å; I843-E847 PolarHBondContact O-N 3.47Å |
| 844 | L | 78 | Confident | 70.1 | Confident | 104 Ų | 104 | 102.7 Ų | 102.7 | 55% | 0.545 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -56.4 | -39 | 178.9 | -77.2 | 164.4 | 0 | 0 | 0 | 113.3 | K840 Q841 N848 | K840-L844 VanDerWaalsContact O-CB 3.32Å; K840-L844 WeakPolarHBondContact O-CB 3.46Å; K840-L844 WeakPolarHBondContact O-CD1 3.5Å; K840-L844 VanDerWaalsContact O-CG 3.22Å; K840-L844 WeakPolarHBondContact O-CG 3.06Å; K840-L844 PolarHBondContact O-N 2.71Å; Q841-L844 PolarHBondContact O-N 3.46Å; L844-N848 VanDerWaalsContact O-CB 3.3Å; L844-N848 WeakPolarHBondContact O-CB 3.21Å; L844-N848 PolarHBondContact O-N 3.1Å |
| 845 | F | 78.3 | Confident | 72.5 | Confident | 138 Ų | 138 | 102.1 Ų | 102.1 | 61% | 0.605 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -66.6 | -40.5 | 174.8 | 177.7 | -95.1 | 0 | 0 | 0 | 112.4 | Q841 I843 N849 | Q841-F845 PolarHBondContact O-N 3.39Å; I843-F845 VanDerWaalsContact C-N 3.3Å; I843-F845 PolarHBondContact O-N 2.8Å; F845-N849 WeakPolarHBondContact CE1-ND2 3.3Å; F845-N849 WeakPolarHBondContact CZ-ND2 3.2Å; F845-N849 PolarHBondContact O-N 2.77Å; F845-N849 VanDerWaalsContact O-N 3.12Å; F845-N849 PolarHBondContact O-ND2 2.77Å |
| 846 | L | 81.3 | Confident | 74.4 | Confident | 103 Ų | 103 | 102.8 Ų | 102.8 | 54% | 0.539 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -71.3 | -40.9 | 175.9 | -70.9 | 167.2 | 0 | 0 | 0 | 111.5 | K842 I843 N849 L850 | K842-L846 WeakPolarHBondContact O-CB 3.35Å; K842-L846 WeakPolarHBondContact O-CD1 3.48Å; K842-L846 VanDerWaalsContact O-CG 3.26Å; K842-L846 WeakPolarHBondContact O-CG 3.4Å; K842-L846 PolarHBondContact O-N 3.11Å; K842-L846 VanDerWaalsContact O-N 3.11Å; I843-L846 CarbonylContact O-C 3.58Å; I843-L846 WeakPolarHBondContact O-CA 3.49Å; I843-L846 WeakPolarHBondContact O-CB 3.44Å; I843-L846 PolarHBondContact O-N 3.49Å; L846-N849 PolarHBondContact O-N 3.42Å; L846-L850 WeakPolarHBondContact O-CB 3.31Å; L846-L850 PolarHBondContact O-N 3.34Å |
| 847 | E | 78.4 | Confident | 75.8 | Confident | 106 Ų | 106 | 103.6 Ų | 103.6 | 50% | 0.495 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.9 | -43.3 | 174.5 | -75.7 | 173.9 | 158.7 | 0 | 0 | 111.3 | I843 L850 D851 | I843-E847 HydrophobicContact CG2-CG 3.83Å; I843-E847 VanDerWaalsContact CG2-OE1 3.24Å; I843-E847 WeakPolarHBondContact CG2-OE1 3.24Å; I843-E847 WeakPolarHBondContact O-CB 3.16Å; I843-E847 WeakPolarHBondContact O-CG 3.49Å; I843-E847 PolarHBondContact O-N 3.47Å; E847-L850 PolarHBondContact O-N 2.72Å; E847-D851 VanDerWaalsContact O-CB 3.3Å; E847-D851 WeakPolarHBondContact O-CB 3.23Å; E847-D851 PolarHBondContact O-N 3.05Å |
| 848 | N | 82.7 | Confident | 77.2 | Confident | 92 Ų | 92 | 102 Ų | 102 | 49% | 0.492 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -69.3 | -40.1 | 177.9 | -165.6 | 11.8 | 0 | 0 | 0 | 111.7 | L844 D851 Q852 | L844-N848 VanDerWaalsContact O-CB 3.3Å; L844-N848 WeakPolarHBondContact O-CB 3.21Å; L844-N848 PolarHBondContact O-N 3.1Å; N848-D851 PolarHBondContact O-N 3.23Å; N848-Q852 WeakPolarHBondContact O-CB 3.44Å; N848-Q852 WeakPolarHBondContact O-CG 3.19Å; N848-Q852 PolarHBondContact O-N 2.67Å |
| 849 | N | 82 | Confident | 78.6 | Confident | 76 Ų | 76 | 102.6 Ų | 102.6 | 41% | 0.406 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.2 | -42.8 | 170.3 | -92.8 | -86.2 | 0 | 0 | 0 | 111.8 | F845 L846 Q852 L853 | F845-N849 WeakPolarHBondContact CE1-ND2 3.3Å; F845-N849 WeakPolarHBondContact CZ-ND2 3.2Å; F845-N849 PolarHBondContact O-N 2.77Å; F845-N849 VanDerWaalsContact O-N 3.12Å; F845-N849 PolarHBondContact O-ND2 2.77Å; L846-N849 PolarHBondContact O-N 3.42Å; N849-Q852 PolarHBondContact O-N 2.83Å; N849-L853 WeakPolarHBondContact O-CB 3.46Å; N849-L853 PolarHBondContact O-N 3.46Å |
| 850 | L | 84.4 | Confident | 80.1 | Confident | 114 Ų | 114 | 102 Ų | 102 | 60% | 0.597 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -71.5 | -32.3 | -178 | -163.4 | 149.6 | 0 | 0 | 0 | 111.1 | L846 E847 T854 | L846-L850 WeakPolarHBondContact O-CB 3.31Å; L846-L850 PolarHBondContact O-N 3.34Å; E847-L850 PolarHBondContact O-N 2.72Å; L850-T854 WeakPolarHBondContact O-CB 3.34Å; L850-T854 PolarHBondContact O-N 2.98Å; L850-T854 PolarHBondContact O-OG1 3.48Å |
| 851 | D | 79.7 | Confident | 81.3 | Confident | 62 Ų | 62 | 99.4 Ų | 99.4 | 33% | 0.332 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -71.5 | -38.4 | 170.6 | -175.4 | 58.6 | 0 | 0 | 0 | 112.2 | E847 N848 T854 K855 | E847-D851 VanDerWaalsContact O-CB 3.3Å; E847-D851 WeakPolarHBondContact O-CB 3.23Å; E847-D851 PolarHBondContact O-N 3.05Å; N848-D851 PolarHBondContact O-N 3.23Å; D851-T854 CarbonylContact O-C 3.59Å; D851-T854 PolarHBondContact O-N 2.97Å; D851-K855 WeakPolarHBondContact O-CB 3.31Å; D851-K855 VanDerWaalsContact O-CG 3.3Å; D851-K855 WeakPolarHBondContact O-CG 3.34Å; D851-K855 PolarHBondContact O-N 3.43Å; D851-K855 WeakPolarHBondContact OD2-CE 3.47Å; D851-K855 IonicContact OD2-NZ 2.67Å; D851-K855 PolarHBondContact OD2-NZ 2.81Å |
| 852 | Q | 80.8 | Confident | 82.1 | Confident | 109 Ų | 109 | 99.1 Ų | 99.1 | 51% | 0.509 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.2 | -47.8 | 169.5 | -75.1 | -177.5 | 7.5 | 0 | 0 | 111.5 | N848 N849 T854 K855 V856 | N848-Q852 WeakPolarHBondContact O-CB 3.44Å; N848-Q852 WeakPolarHBondContact O-CG 3.19Å; N848-Q852 PolarHBondContact O-N 2.67Å; N849-Q852 PolarHBondContact O-N 2.83Å; Q852-T854 VanDerWaalsContact C-N 3.29Å; Q852-T854 PolarHBondContact O-N 3.16Å; Q852-K855 WeakPolarHBondContact O-CB 3.5Å; Q852-K855 PolarHBondContact O-N 3.35Å; Q852-K855 VanDerWaalsContact O-N 3.16Å; Q852-V856 WeakPolarHBondContact O-CG2 3.32Å; Q852-V856 PolarHBondContact O-N 2.86Å |
| 853 | L | 85.6 | Confident | 82.7 | Confident | 131 Ų | 131 | 94.6 Ų | 94.6 | 69% | 0.686 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -61.5 | -39.2 | 175.6 | -149.9 | 82.1 | 0 | 0 | 0 | 111.2 | N849 V856 H857 | N849-L853 WeakPolarHBondContact O-CB 3.46Å; N849-L853 PolarHBondContact O-N 3.46Å; L853-V856 PolarHBondContact O-N 3.2Å; L853-H857 VanDerWaalsContact O-CB 3.31Å; L853-H857 WeakPolarHBondContact O-CB 3.45Å; L853-H857 PolarHBondContact O-N 2.95Å |
| 854 | T | 82.9 | Confident | 83.2 | Confident | 45 Ų | 45 | 95.4 Ų | 95.4 | 28% | 0.276 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -66.6 | -36.2 | 175.5 | -64.6 | 0 | 0 | 0 | 0 | 111.8 | L850 D851 Q852 K858 | L850-T854 WeakPolarHBondContact O-CB 3.34Å; L850-T854 PolarHBondContact O-N 2.98Å; L850-T854 PolarHBondContact O-OG1 3.48Å; D851-T854 CarbonylContact O-C 3.59Å; D851-T854 PolarHBondContact O-N 2.97Å; Q852-T854 VanDerWaalsContact C-N 3.29Å; Q852-T854 PolarHBondContact O-N 3.16Å; T854-K858 HydrophobicContact CG2-CD 3.88Å; T854-K858 VanDerWaalsContact CG2-CE 3.46Å; T854-K858 HydrophobicContact CG2-CG 4.27Å; T854-K858 WeakPolarHBondContact O-CB 3.2Å; T854-K858 WeakPolarHBondContact O-CG 3.48Å; T854-K858 PolarHBondContact O-N 3.2Å |
| 855 | K | 85.6 | Confident | 83.4 | Confident | 119 Ų | 119 | 92.7 Ų | 92.7 | 52% | 0.517 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -65.3 | -47.3 | 173.6 | -78.8 | 161.7 | 174 | 157.2 | 0 | 111.2 | D851 Q852 H857 K858 Q859 | D851-K855 WeakPolarHBondContact O-CB 3.31Å; D851-K855 VanDerWaalsContact O-CG 3.3Å; D851-K855 WeakPolarHBondContact O-CG 3.34Å; D851-K855 PolarHBondContact O-N 3.43Å; D851-K855 WeakPolarHBondContact OD2-CE 3.47Å; D851-K855 IonicContact OD2-NZ 2.67Å; D851-K855 PolarHBondContact OD2-NZ 2.81Å; Q852-K855 WeakPolarHBondContact O-CB 3.5Å; Q852-K855 PolarHBondContact O-N 3.35Å; Q852-K855 VanDerWaalsContact O-N 3.16Å; K855-H857 PolarHBondContact O-N 2.87Å; K855-K858 PolarHBondContact O-N 3.34Å; K855-Q859 PolarHBondContact O-N 3.39Å |
| 856 | V | 85 | Confident | 83.6 | Confident | 87 Ų | 87 | 90.7 Ų | 90.7 | 53% | 0.527 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -60.9 | -44.8 | 175 | 175.3 | 0 | 0 | 0 | 0 | 110.8 | Q852 L853 Q859 L860 | Q852-V856 WeakPolarHBondContact O-CG2 3.32Å; Q852-V856 PolarHBondContact O-N 2.86Å; L853-V856 PolarHBondContact O-N 3.2Å; V856-Q859 WeakPolarHBondContact O-CB 3.3Å; V856-Q859 PolarHBondContact O-N 3.08Å; V856-Q859 VanDerWaalsContact O-N 3.14Å; V856-L860 HydrophobicContact CG1-CD1 4.07Å; V856-L860 PolarHBondContact O-N 2.84Å |
| 857 | H | 84.6 | Confident | 83.6 | Confident | 81 Ų | 81 | 91.1 Ų | 91.1 | 38% | 0.375 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -64.6 | -43 | 177 | -169.7 | 75 | 0 | 0 | 0 | 112.3 | L853 K855 Q859 L860 V861 | L853-H857 VanDerWaalsContact O-CB 3.31Å; L853-H857 WeakPolarHBondContact O-CB 3.45Å; L853-H857 PolarHBondContact O-N 2.95Å; K855-H857 PolarHBondContact O-N 2.87Å; H857-Q859 PolarHBondContact O-N 3.48Å; H857-L860 PolarHBondContact O-N 3.47Å; H857-V861 WeakPolarHBondContact O-CB 3.13Å; H857-V861 VanDerWaalsContact O-CG2 3.25Å; H857-V861 WeakPolarHBondContact O-CG2 3.33Å; H857-V861 PolarHBondContact O-N 3.2Å |
| 858 | K | 85.1 | Confident | 83.8 | Confident | 119 Ų | 119 | 94.9 Ų | 94.9 | 52% | 0.517 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64.2 | -22.8 | 172.8 | -78 | 171.4 | -179.7 | 169.3 | 0 | 113.3 | T854 K855 R862 | T854-K858 HydrophobicContact CG2-CD 3.88Å; T854-K858 VanDerWaalsContact CG2-CE 3.46Å; T854-K858 HydrophobicContact CG2-CG 4.27Å; T854-K858 WeakPolarHBondContact O-CB 3.2Å; T854-K858 WeakPolarHBondContact O-CG 3.48Å; T854-K858 PolarHBondContact O-N 3.2Å; K855-K858 PolarHBondContact O-N 3.34Å; K858-R862 PolarHBondContact O-NE 2.89Å |
| 859 | Q | 84.5 | Confident | 83.6 | Confident | 83 Ų | 83 | 94.1 Ų | 94.1 | 39% | 0.388 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -77.6 | -56.6 | 171.5 | -166 | 58.2 | 45 | 0 | 0 | 109.7 | K855 V856 H857 V861 R862 D863 | K855-Q859 PolarHBondContact O-N 3.39Å; V856-Q859 WeakPolarHBondContact O-CB 3.3Å; V856-Q859 PolarHBondContact O-N 3.08Å; V856-Q859 VanDerWaalsContact O-N 3.14Å; H857-Q859 PolarHBondContact O-N 3.48Å; Q859-V861 PolarHBondContact O-N 3.47Å; Q859-V861 VanDerWaalsContact O-N 3.11Å; Q859-R862 CarbonylContact O-C 3.56Å; Q859-R862 WeakPolarHBondContact O-CA 3.47Å; Q859-R862 WeakPolarHBondContact O-CB 3.44Å; Q859-R862 PolarHBondContact O-N 3.47Å; Q859-D863 PolarHBondContact NE2-OD1 3.36Å; Q859-D863 PolarHBondContact O-N 2.94Å |
| 860 | L | 87.5 | Confident | 83.3 | Confident | 93 Ų | 93 | 94.3 Ų | 94.3 | 49% | 0.487 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -55.5 | -34.1 | 178.7 | -70.9 | 170.6 | 0 | 0 | 0 | 113.9 | V856 H857 N864 | V856-L860 HydrophobicContact CG1-CD1 4.07Å; V856-L860 PolarHBondContact O-N 2.84Å; H857-L860 PolarHBondContact O-N 3.47Å; L860-N864 VanDerWaalsContact O-CB 3.31Å; L860-N864 WeakPolarHBondContact O-CB 3.39Å; L860-N864 PolarHBondContact O-N 3.48Å; L860-N864 PolarHBondContact O-ND2 3.21Å |
| 861 | V | 88.5 | Confident | 83.1 | Confident | 63 Ų | 63 | 93.7 Ų | 93.7 | 38% | 0.382 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -73.5 | -32.6 | 175 | 170.2 | 0 | 0 | 0 | 0 | 112.3 | L803 H857 Q859 A865 | L803-V861 HydrophobicContact CD2-CG2 4.33Å; H857-V861 WeakPolarHBondContact O-CB 3.13Å; H857-V861 VanDerWaalsContact O-CG2 3.25Å; H857-V861 WeakPolarHBondContact O-CG2 3.33Å; H857-V861 PolarHBondContact O-N 3.2Å; Q859-V861 PolarHBondContact O-N 3.47Å; Q859-V861 VanDerWaalsContact O-N 3.11Å; V861-A865 WeakPolarHBondContact O-CB 3.36Å; V861-A865 PolarHBondContact O-N 3.4Å; V861-A865 VanDerWaalsContact O-N 3.1Å |
| 862 | R | 84 | Confident | 83.1 | Confident | 133 Ų | 133 | 94.3 Ų | 94.3 | 50% | 0.502 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -70.4 | -50.3 | 171.1 | -85.4 | 179.5 | -74.4 | 160.4 | 5.6 | 110.5 | K858 Q859 N864 A865 D866 | K858-R862 PolarHBondContact O-NE 2.89Å; Q859-R862 CarbonylContact O-C 3.56Å; Q859-R862 WeakPolarHBondContact O-CA 3.47Å; Q859-R862 WeakPolarHBondContact O-CB 3.44Å; Q859-R862 PolarHBondContact O-N 3.47Å; R862-N864 VanDerWaalsContact C-N 3.26Å; R862-N864 PolarHBondContact O-N 2.84Å; R862-A865 CarbonylContact O-C 3.47Å; R862-A865 WeakPolarHBondContact O-CA 3.48Å; R862-A865 WeakPolarHBondContact O-CB 3.31Å; R862-A865 PolarHBondContact O-N 2.83Å; R862-D866 PolarHBondContact O-N 2.95Å |
| 863 | D | 85.7 | Confident | 83.1 | Confident | 60 Ų | 60 | 94.5 Ų | 94.5 | 32% | 0.321 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -56.3 | -41.5 | 178.4 | -49.9 | -24.2 | 0 | 0 | 0 | 111.2 | Q859 D866 L867 | Q859-D863 PolarHBondContact NE2-OD1 3.36Å; Q859-D863 PolarHBondContact O-N 2.94Å; D863-D866 PolarHBondContact O-N 2.89Å; D863-L867 WeakPolarHBondContact O-CB 3.43Å; D863-L867 VanDerWaalsContact O-CG 3.22Å; D863-L867 WeakPolarHBondContact O-CG 3.24Å; D863-L867 PolarHBondContact O-N 3.07Å |
| 864 | N | 81.9 | Confident | 82.9 | Confident | 86 Ų | 86 | 92.9 Ų | 92.9 | 46% | 0.46 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -68.3 | -32.2 | 173.4 | -91.3 | -91.3 | 0 | 0 | 0 | 114.2 | L860 R862 R868 | L860-N864 VanDerWaalsContact O-CB 3.31Å; L860-N864 WeakPolarHBondContact O-CB 3.39Å; L860-N864 PolarHBondContact O-N 3.48Å; L860-N864 PolarHBondContact O-ND2 3.21Å; R862-N864 VanDerWaalsContact C-N 3.26Å; R862-N864 PolarHBondContact O-N 2.84Å; N864-R868 WeakPolarHBondContact O-CB 3.46Å; N864-R868 VanDerWaalsContact O-CG 3.29Å; N864-R868 WeakPolarHBondContact O-CG 3.42Å; N864-R868 PolarHBondContact O-N 3.27Å; N864-R868 VanDerWaalsContact O-N 3.14Å |
| 865 | A | 84 | Confident | 82.9 | Confident | 47 Ų | 47 | 95.5 Ų | 95.5 | 39% | 0.388 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -70.9 | -41.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | V861 R862 R868 C869 | V861-A865 WeakPolarHBondContact O-CB 3.36Å; V861-A865 PolarHBondContact O-N 3.4Å; V861-A865 VanDerWaalsContact O-N 3.1Å; R862-A865 CarbonylContact O-C 3.47Å; R862-A865 WeakPolarHBondContact O-CA 3.48Å; R862-A865 WeakPolarHBondContact O-CB 3.31Å; R862-A865 PolarHBondContact O-N 2.83Å; A865-R868 PolarHBondContact O-N 3.47Å; A865-C869 PolarHBondContact O-N 3.42Å; A865-C869 PolarHBondContact O-SG 3.18Å |
| 866 | D | 81.6 | Confident | 82.9 | Confident | 95 Ų | 95 | 97.4 Ų | 97.4 | 51% | 0.508 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.4 | -46.5 | 178.3 | -62.5 | -28 | 0 | 0 | 0 | 110.6 | R862 D863 R868 C869 E870 | R862-D866 PolarHBondContact O-N 2.95Å; D863-D866 PolarHBondContact O-N 2.89Å; D866-R868 VanDerWaalsContact C-N 3.28Å; D866-R868 PolarHBondContact O-N 3.32Å; D866-C869 CarbonylContact O-C 2.89Å; D866-C869 WeakPolarHBondContact O-CA 3.41Å; D866-C869 WeakPolarHBondContact O-CB 3.44Å; D866-C869 PolarHBondContact O-N 3.37Å; D866-E870 PolarHBondContact O-N 3.44Å |
| 867 | L | 81.9 | Confident | 82.8 | Confident | 112 Ų | 112 | 101.9 Ų | 101.9 | 59% | 0.586 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -58 | -37.5 | 172.6 | -72.8 | 169.6 | 0 | 0 | 0 | 113 | D863 C869 E870 L871 | D863-L867 WeakPolarHBondContact O-CB 3.43Å; D863-L867 VanDerWaalsContact O-CG 3.22Å; D863-L867 WeakPolarHBondContact O-CG 3.24Å; D863-L867 PolarHBondContact O-N 3.07Å; L867-C869 VanDerWaalsContact C-N 3.33Å; L867-E870 PolarHBondContact O-N 2.84Å; L867-L871 PolarHBondContact O-N 2.97Å; L867-L871 VanDerWaalsContact O-N 3.07Å |
| 868 | R | 81.1 | Confident | 82.8 | Confident | 186 Ų | 186 | 103.7 Ų | 103.7 | 70% | 0.702 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -72.1 | -23.5 | 174.3 | -79.7 | 177.8 | 171.6 | 165.1 | 0.6 | 113.6 | N864 A865 D866 P872 | N864-R868 WeakPolarHBondContact O-CB 3.46Å; N864-R868 VanDerWaalsContact O-CG 3.29Å; N864-R868 WeakPolarHBondContact O-CG 3.42Å; N864-R868 PolarHBondContact O-N 3.27Å; N864-R868 VanDerWaalsContact O-N 3.14Å; A865-R868 PolarHBondContact O-N 3.47Å; D866-R868 VanDerWaalsContact C-N 3.28Å; D866-R868 PolarHBondContact O-N 3.32Å; R868-P872 WeakPolarHBondContact O-CD 3.34Å |
| 869 | C | 79.4 | Confident | 82.8 | Confident | 76 Ų | 76 | 105.7 Ų | 105.7 | 51% | 0.514 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -80.4 | -31.1 | 171.6 | -72.2 | 0 | 0 | 0 | 0 | 112.5 | A865 D866 L867 | A865-C869 PolarHBondContact O-N 3.42Å; A865-C869 PolarHBondContact O-SG 3.18Å; D866-C869 CarbonylContact O-C 2.89Å; D866-C869 WeakPolarHBondContact O-CA 3.41Å; D866-C869 WeakPolarHBondContact O-CB 3.44Å; D866-C869 PolarHBondContact O-N 3.37Å; L867-C869 VanDerWaalsContact C-N 3.33Å |
| 870 | E | 75.9 | Confident | 82.7 | Confident | 79 Ų | 79 | 104.3 Ų | 104.3 | 37% | 0.369 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -79.1 | -38.4 | 178.5 | -69.9 | -50.1 | 127.2 | 0 | 0 | 113.7 | D866 L867 K873 L874 | D866-E870 PolarHBondContact O-N 3.44Å; L867-E870 PolarHBondContact O-N 2.84Å; E870-K873 WeakPolarHBondContact O-CA 3.46Å; E870-K873 WeakPolarHBondContact O-CB 3.42Å; E870-K873 PolarHBondContact O-N 3.39Å; E870-K873 IonicContact OE1-NZ 3.28Å; E870-K873 PolarHBondContact OE1-NZ 3.08Å; E870-K873 WeakPolarHBondContact OE2-CD 3.2Å; E870-K873 IonicContact OE2-NZ 3.42Å; E870-L874 PolarHBondContact O-N 3Å |
| 871 | L | 80.3 | Confident | 82.4 | Confident | 102 Ų | 102 | 103.6 Ų | 103.6 | 53% | 0.534 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -49.9 | -50 | 179.4 | -92.9 | 165.6 | 0 | 0 | 0 | 113.7 | L867 K873 L874 E875 | L867-L871 PolarHBondContact O-N 2.97Å; L867-L871 VanDerWaalsContact O-N 3.07Å; L871-K873 VanDerWaalsContact C-N 3.31Å; L871-K873 PolarHBondContact O-N 3.14Å; L871-L874 PolarHBondContact O-N 2.87Å; L871-E875 PolarHBondContact O-N 2.83Å |
| 872 | P | 79.8 | Confident | 82.1 | Confident | 75 Ų | 75 | 107.4 Ų | 107.4 | 49% | 0.487 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.9 | -29.3 | 176.4 | -23.1 | 34.5 | 0 | 0 | 0 | 114.3 | R868 K876 | R868-P872 WeakPolarHBondContact O-CD 3.34Å; P872-K876 VanDerWaalsContact O-CB 3.3Å; P872-K876 WeakPolarHBondContact O-CB 3.42Å; P872-K876 PolarHBondContact O-N 3.48Å |
| 873 | K | 80.3 | Confident | 82.3 | Confident | 112 Ų | 112 | 107.9 Ų | 107.9 | 49% | 0.487 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -70.7 | -42.8 | 175.5 | -62.2 | 174 | -172.4 | 173.3 | 0 | 110.5 | E870 L871 K876 R877 | E870-K873 WeakPolarHBondContact O-CA 3.46Å; E870-K873 WeakPolarHBondContact O-CB 3.42Å; E870-K873 PolarHBondContact O-N 3.39Å; E870-K873 IonicContact OE1-NZ 3.28Å; E870-K873 PolarHBondContact OE1-NZ 3.08Å; E870-K873 WeakPolarHBondContact OE2-CD 3.2Å; E870-K873 IonicContact OE2-NZ 3.42Å; L871-K873 VanDerWaalsContact C-N 3.31Å; L871-K873 PolarHBondContact O-N 3.14Å; K873-K876 PolarHBondContact O-N 3.34Å; K873-R877 WeakPolarHBondContact O-CB 3.42Å; K873-R877 WeakPolarHBondContact O-CG 3.31Å; K873-R877 PolarHBondContact O-N 3.01Å |
| 874 | L | 80.5 | Confident | 82.1 | Confident | 97 Ų | 97 | 113.4 Ų | 113.4 | 51% | 0.508 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -63.7 | -45.2 | 175.1 | -69.2 | 169.2 | 0 | 0 | 0 | 111.3 | E870 L871 K876 R877 L878 | E870-L874 PolarHBondContact O-N 3Å; L871-L874 PolarHBondContact O-N 2.87Å; L874-K876 VanDerWaalsContact C-N 3.34Å; L874-K876 PolarHBondContact O-N 3.28Å; L874-R877 PolarHBondContact O-N 3.29Å; L874-L878 WeakPolarHBondContact O-CB 3.41Å; L874-L878 PolarHBondContact O-N 2.92Å |
| 875 | E | 83.7 | Confident | 82.1 | Confident | 100 Ų | 100 | 112.9 Ų | 112.9 | 47% | 0.467 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -59.8 | -41.7 | 172.8 | -77.3 | -170.3 | -161 | 0 | 0 | 112.7 | L871 L878 R879 | L871-E875 PolarHBondContact O-N 2.83Å; E875-L878 PolarHBondContact O-N 3.16Å; E875-R879 WeakPolarHBondContact O-CG 3.49Å; E875-R879 PolarHBondContact O-N 3.36Å; E875-R879 IonicContact OE2-NH2 2.65Å; E875-R879 PolarHBondContact OE2-NH2 3.39Å |
| 876 | K | 86 | Confident | 82.3 | Confident | 160 Ų | 160 | 117.7 Ų | 117.7 | 70% | 0.696 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -67.4 | -40.7 | 178.3 | -170.3 | 179.3 | -179.5 | -175.3 | 0 | 111.6 | P872 K873 L874 R879 A880 | P872-K876 VanDerWaalsContact O-CB 3.3Å; P872-K876 WeakPolarHBondContact O-CB 3.42Å; P872-K876 PolarHBondContact O-N 3.48Å; K873-K876 PolarHBondContact O-N 3.34Å; L874-K876 VanDerWaalsContact C-N 3.34Å; L874-K876 PolarHBondContact O-N 3.28Å; K876-R879 PolarHBondContact O-N 3.44Å; K876-A880 WeakPolarHBondContact O-CB 3.43Å; K876-A880 PolarHBondContact O-N 3.43Å |
| 877 | R | 83.3 | Confident | 82.4 | Confident | 180 Ų | 180 | 116.2 Ų | 116.2 | 68% | 0.679 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -59.2 | -46.3 | 171.4 | -81.3 | 177.5 | 162.8 | 176.8 | -8.4 | 110.7 | K873 L874 R879 A880 T881 | K873-R877 WeakPolarHBondContact O-CB 3.42Å; K873-R877 WeakPolarHBondContact O-CG 3.31Å; K873-R877 PolarHBondContact O-N 3.01Å; L874-R877 PolarHBondContact O-N 3.29Å; R877-R879 PolarHBondContact O-N 3.06Å; R877-A880 PolarHBondContact O-N 3Å; R877-T881 PolarHBondContact O-N 3.41Å; R877-T881 PolarHBondContact O-OG1 3.38Å; R877-T881 VanDerWaalsContact O-OG1 3.1Å |
| 878 | L | 83.6 | Confident | 82.2 | Confident | 120 Ų | 120 | 115.7 Ų | 115.7 | 63% | 0.628 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -61.1 | -44.2 | 179 | -174.7 | 62.5 | 0 | 0 | 0 | 112.5 | L874 E875 T881 M882 | L874-L878 WeakPolarHBondContact O-CB 3.41Å; L874-L878 PolarHBondContact O-N 2.92Å; E875-L878 PolarHBondContact O-N 3.16Å; L878-T881 WeakPolarHBondContact CA-OG1 3.31Å; L878-T881 PolarHBondContact O-N 2.88Å; L878-T881 PolarHBondContact O-OG1 3.28Å; L878-M882 WeakPolarHBondContact O-CB 3.49Å; L878-M882 PolarHBondContact O-N 3.42Å |
| 879 | R | 85 | Confident | 82.4 | Confident | 161 Ų | 161 | 112.7 Ų | 112.7 | 61% | 0.608 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -64 | -44.5 | 175 | -67.7 | -177.9 | -144.7 | -179.3 | 7.8 | 112 | E875 K876 R877 T881 M882 E883 | E875-R879 WeakPolarHBondContact O-CG 3.49Å; E875-R879 PolarHBondContact O-N 3.36Å; E875-R879 IonicContact OE2-NH2 2.65Å; E875-R879 PolarHBondContact OE2-NH2 3.39Å; K876-R879 PolarHBondContact O-N 3.44Å; R877-R879 PolarHBondContact O-N 3.06Å; R879-T881 VanDerWaalsContact C-N 3.34Å; R879-T881 PolarHBondContact O-N 3.06Å; R879-M882 WeakPolarHBondContact O-CB 3.31Å; R879-M882 PolarHBondContact O-N 2.83Å; R879-M882 VanDerWaalsContact O-N 3.12Å; R879-E883 PolarHBondContact O-N 3.39Å |
| 880 | A | 82.6 | Confident | 82.7 | Confident | 54 Ų | 54 | 112.8 Ų | 112.8 | 45% | 0.446 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -63 | -38.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | K876 R877 R884 | K876-A880 WeakPolarHBondContact O-CB 3.43Å; K876-A880 PolarHBondContact O-N 3.43Å; R877-A880 PolarHBondContact O-N 3Å; A880-R884 WeakPolarHBondContact O-CB 3.35Å; A880-R884 PolarHBondContact O-N 3.09Å |
| 881 | T | 81.3 | Confident | 83 | Confident | 77 Ų | 77 | 111.5 Ų | 111.5 | 47% | 0.472 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -66 | -39 | 172.1 | 47.7 | 0 | 0 | 0 | 0 | 112 | R877 L878 R879 R884 V885 | R877-T881 PolarHBondContact O-N 3.41Å; R877-T881 PolarHBondContact O-OG1 3.38Å; R877-T881 VanDerWaalsContact O-OG1 3.1Å; L878-T881 WeakPolarHBondContact CA-OG1 3.31Å; L878-T881 PolarHBondContact O-N 2.88Å; L878-T881 PolarHBondContact O-OG1 3.28Å; R879-T881 VanDerWaalsContact C-N 3.34Å; R879-T881 PolarHBondContact O-N 3.06Å; T881-R884 PolarHBondContact O-N 3.18Å; T881-V885 WeakPolarHBondContact O-CG2 3.21Å; T881-V885 PolarHBondContact O-N 3.45Å |
| 882 | M | 82.6 | Confident | 82.9 | Confident | 144 Ų | 144 | 112.8 Ų | 112.8 | 71% | 0.709 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -66.6 | -39.5 | 178.6 | -157.8 | 176.2 | -161.1 | 0 | 0 | 112.1 | L878 R879 K886 | L878-M882 WeakPolarHBondContact O-CB 3.49Å; L878-M882 PolarHBondContact O-N 3.42Å; R879-M882 WeakPolarHBondContact O-CB 3.31Å; R879-M882 PolarHBondContact O-N 2.83Å; R879-M882 VanDerWaalsContact O-N 3.12Å; M882-K886 WeakPolarHBondContact O-CB 3.17Å; M882-K886 PolarHBondContact O-N 3.03Å; M882-K886 VanDerWaalsContact O-N 3.1Å |
| 883 | E | 87.2 | Confident | 83.3 | Confident | 143 Ų | 143 | 115.5 Ų | 115.5 | 67% | 0.668 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -66.4 | -41 | 172.9 | -72.5 | 179.1 | 166.6 | 0 | 0 | 112.3 | R879 K886 S887 | R879-E883 PolarHBondContact O-N 3.39Å; E883-K886 PolarHBondContact O-N 3.1Å; E883-S887 PolarHBondContact O-N 3.34Å |
| 884 | R | 82.7 | Confident | 83.6 | Confident | 175 Ų | 175 | 116.8 Ų | 116.8 | 66% | 0.66 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -66 | -38.1 | 175.9 | 177.4 | 177.5 | 165.4 | -174.6 | -4.9 | 112.8 | A880 T881 S887 L888 | A880-R884 WeakPolarHBondContact O-CB 3.35Å; A880-R884 PolarHBondContact O-N 3.09Å; T881-R884 PolarHBondContact O-N 3.18Å; R884-S887 PolarHBondContact O-OG 3.41Å; R884-S887 VanDerWaalsContact O-OG 3.05Å; R884-L888 HydrophobicContact CG-CD1 4.13Å; R884-L888 WeakPolarHBondContact O-CB 3.49Å; R884-L888 VanDerWaalsContact O-CG 3.3Å; R884-L888 WeakPolarHBondContact O-CG 3.5Å; R884-L888 PolarHBondContact O-N 3.03Å; R884-L888 VanDerWaalsContact O-N 3.11Å |
| 885 | V | 81 | Confident | 83.8 | Confident | 76 Ų | 76 | 115.1 Ų | 115.1 | 46% | 0.461 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -62.5 | -47.4 | 173 | 168.9 | 0 | 0 | 0 | 0 | 109.6 | T881 S887 L888 E889 | T881-V885 WeakPolarHBondContact O-CG2 3.21Å; T881-V885 PolarHBondContact O-N 3.45Å; V885-S887 VanDerWaalsContact C-N 3.33Å; V885-S887 PolarHBondContact O-N 3.25Å; V885-L888 PolarHBondContact O-N 3.47Å; V885-L888 VanDerWaalsContact O-N 3.17Å; V885-E889 HydrophobicContact CG1-CG 4.33Å; V885-E889 WeakPolarHBondContact O-CG 3.46Å; V885-E889 PolarHBondContact O-N 3.41Å |
| 886 | K | 88.7 | Confident | 83.9 | Confident | 147 Ų | 147 | 116.4 Ų | 116.4 | 64% | 0.639 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -61.2 | -36.7 | 179.6 | -166.6 | 175.4 | -176.5 | 178.5 | 0 | 113.5 | M882 E883 T890 | M882-K886 WeakPolarHBondContact O-CB 3.17Å; M882-K886 PolarHBondContact O-N 3.03Å; M882-K886 VanDerWaalsContact O-N 3.1Å; E883-K886 PolarHBondContact O-N 3.1Å; K886-T890 PolarHBondContact O-N 3.05Å; K886-T890 PolarHBondContact O-OG1 2.94Å |
| 887 | S | 82.9 | Confident | 84 | Confident | 65 Ų | 65 | 113.1 Ų | 113.1 | 46% | 0.455 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -72 | -36.6 | 175.7 | 66.8 | 0 | 0 | 0 | 0 | 112.8 | E883 R884 V885 T890 A891 | E883-S887 PolarHBondContact O-N 3.34Å; R884-S887 PolarHBondContact O-OG 3.41Å; R884-S887 VanDerWaalsContact O-OG 3.05Å; V885-S887 VanDerWaalsContact C-N 3.33Å; V885-S887 PolarHBondContact O-N 3.25Å; S887-T890 WeakPolarHBondContact CA-OG1 3.15Å; S887-T890 PolarHBondContact O-N 2.69Å; S887-T890 PolarHBondContact O-OG1 3.12Å; S887-A891 PolarHBondContact O-N 3.23Å |
| 888 | L | 79.4 | Confident | 83.9 | Confident | 100 Ų | 100 | 107 Ų | 107 | 52% | 0.524 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -65.8 | -39.5 | 172.5 | -72.7 | 168 | 0 | 0 | 0 | 112.1 | R884 V885 T890 A891 L892 | R884-L888 HydrophobicContact CG-CD1 4.13Å; R884-L888 WeakPolarHBondContact O-CB 3.49Å; R884-L888 VanDerWaalsContact O-CG 3.3Å; R884-L888 WeakPolarHBondContact O-CG 3.5Å; R884-L888 PolarHBondContact O-N 3.03Å; R884-L888 VanDerWaalsContact O-N 3.11Å; V885-L888 PolarHBondContact O-N 3.47Å; V885-L888 VanDerWaalsContact O-N 3.17Å; L888-T890 PolarHBondContact O-N 3.08Å; L888-A891 PolarHBondContact O-N 2.96Å; L888-L892 VanDerWaalsContact O-CB 3.3Å; L888-L892 WeakPolarHBondContact O-CB 3.35Å; L888-L892 PolarHBondContact O-N 2.88Å |
| 889 | E | 84 | Confident | 84 | Confident | 124 Ų | 124 | 104.1 Ų | 104.1 | 58% | 0.579 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -59.9 | -43.6 | 173.4 | -73.7 | 173 | 165.8 | 0 | 0 | 111.9 | V885 L892 K893 | V885-E889 HydrophobicContact CG1-CG 4.33Å; V885-E889 WeakPolarHBondContact O-CG 3.46Å; V885-E889 PolarHBondContact O-N 3.41Å; E889-L892 PolarHBondContact O-N 3.41Å; E889-K893 PolarHBondContact O-N 3.39Å |
| 890 | T | 86 | Confident | 84 | Confident | 78 Ų | 78 | 101.5 Ų | 101.5 | 48% | 0.479 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.8 | -44.5 | 174.9 | 43.4 | 0 | 0 | 0 | 0 | 112.4 | K886 S887 L888 L892 K893 E894 | K886-T890 PolarHBondContact O-N 3.05Å; K886-T890 PolarHBondContact O-OG1 2.94Å; S887-T890 WeakPolarHBondContact CA-OG1 3.15Å; S887-T890 PolarHBondContact O-N 2.69Å; S887-T890 PolarHBondContact O-OG1 3.12Å; L888-T890 PolarHBondContact O-N 3.08Å; T890-L892 VanDerWaalsContact C-N 3.34Å; T890-L892 PolarHBondContact O-N 2.89Å; T890-K893 WeakPolarHBondContact O-CB 3.49Å; T890-K893 PolarHBondContact O-N 3.49Å; T890-E894 WeakPolarHBondContact O-CG 3.39Å; T890-E894 PolarHBondContact O-N 2.95Å |
| 891 | A | 82.4 | Confident | 84.2 | Confident | 51 Ų | 51 | 105.5 Ų | 105.5 | 42% | 0.421 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -63.6 | -38.7 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | S887 L888 K893 E894 A895 | S887-A891 PolarHBondContact O-N 3.23Å; L888-A891 PolarHBondContact O-N 2.96Å; A891-K893 VanDerWaalsContact C-N 3.35Å; A891-E894 PolarHBondContact O-N 3.3Å; A891-A895 WeakPolarHBondContact O-CB 3.42Å; A891-A895 PolarHBondContact O-N 3.23Å |
| 892 | L | 78.7 | Confident | 84.3 | Confident | 130 Ų | 130 | 105 Ų | 105 | 68% | 0.681 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -66.8 | -36 | 176.5 | -167.7 | 119.1 | 0 | 0 | 0 | 111.9 | L888 E889 T890 K896 | L888-L892 VanDerWaalsContact O-CB 3.3Å; L888-L892 WeakPolarHBondContact O-CB 3.35Å; L888-L892 PolarHBondContact O-N 2.88Å; E889-L892 PolarHBondContact O-N 3.41Å; T890-L892 VanDerWaalsContact C-N 3.34Å; T890-L892 PolarHBondContact O-N 2.89Å; L892-K896 WeakPolarHBondContact O-CB 3.42Å; L892-K896 PolarHBondContact O-N 2.84Å |
| 893 | K | 88.5 | Confident | 84.5 | Confident | 132 Ų | 132 | 106 Ų | 106 | 57% | 0.574 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -65.6 | -46.5 | 173.2 | -174.8 | -179.5 | 175.2 | -175.1 | 0 | 111.7 | E889 T890 A891 K896 E897 | E889-K893 PolarHBondContact O-N 3.39Å; T890-K893 WeakPolarHBondContact O-CB 3.49Å; T890-K893 PolarHBondContact O-N 3.49Å; A891-K893 VanDerWaalsContact C-N 3.35Å; K893-K896 WeakPolarHBondContact O-CB 3.44Å; K893-K896 PolarHBondContact O-N 3.43Å; K893-E897 WeakPolarHBondContact CE-OE1 3.49Å; K893-E897 PolarHBondContact O-N 3.32Å |
| 894 | E | 86.2 | Confident | 84.6 | Confident | 139 Ų | 139 | 105.6 Ų | 105.6 | 65% | 0.65 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -61.7 | -43.8 | 176.9 | -71.5 | 177.8 | 173.1 | 0 | 0 | 111.9 | T890 A891 K896 E897 A898 | T890-E894 WeakPolarHBondContact O-CG 3.39Å; T890-E894 PolarHBondContact O-N 2.95Å; A891-E894 PolarHBondContact O-N 3.3Å; E894-K896 VanDerWaalsContact C-N 3.34Å; E894-K896 PolarHBondContact O-N 2.95Å; E894-E897 PolarHBondContact O-N 2.78Å; E894-A898 PolarHBondContact O-N 3.35Å |
| 895 | A | 84.1 | Confident | 84.8 | Confident | 61 Ų | 61 | 103.8 Ų | 103.8 | 50% | 0.504 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -60.7 | -40.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | A891 A898 A899 | A891-A895 WeakPolarHBondContact O-CB 3.42Å; A891-A895 PolarHBondContact O-N 3.23Å; A895-A898 PolarHBondContact O-N 3.05Å; A895-A899 WeakPolarHBondContact O-CB 3.46Å; A895-A899 PolarHBondContact O-N 3.01Å |
| 896 | K | 86.4 | Confident | 84.8 | Confident | 127 Ų | 127 | 108.3 Ų | 108.3 | 55% | 0.552 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -64.5 | -40.4 | 175.1 | -173.3 | 177.3 | -177.6 | 176.8 | 0 | 112 | L892 K893 E894 M900 | L892-K896 WeakPolarHBondContact O-CB 3.42Å; L892-K896 PolarHBondContact O-N 2.84Å; K893-K896 WeakPolarHBondContact O-CB 3.44Å; K893-K896 PolarHBondContact O-N 3.43Å; E894-K896 VanDerWaalsContact C-N 3.34Å; E894-K896 PolarHBondContact O-N 2.95Å; K896-M900 WeakPolarHBondContact O-CB 3.26Å; K896-M900 WeakPolarHBondContact O-CG 3.39Å; K896-M900 PolarHBondContact O-N 3.27Å |
| 897 | E | 87.2 | Confident | 84.5 | Confident | 92 Ų | 92 | 106.7 Ų | 106.7 | 43% | 0.43 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -68.1 | -38.1 | 176.3 | -73.3 | -175.6 | -158.5 | 0 | 0 | 112.5 | K893 E894 K901 | K893-E897 WeakPolarHBondContact CE-OE1 3.49Å; K893-E897 PolarHBondContact O-N 3.32Å; E894-E897 PolarHBondContact O-N 2.78Å; E897-K901 WeakPolarHBondContact O-CG 3.33Å; E897-K901 PolarHBondContact O-N 2.89Å; E897-K901 VanDerWaalsContact O-N 3.07Å |
| 898 | A | 82 | Confident | 84.7 | Confident | 50 Ų | 50 | 109.9 Ų | 109.9 | 41% | 0.413 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.1 | -50.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | E894 A895 M900 K901 D902 | E894-A898 PolarHBondContact O-N 3.35Å; A895-A898 PolarHBondContact O-N 3.05Å; A898-M900 VanDerWaalsContact C-N 3.29Å; A898-M900 PolarHBondContact O-N 2.8Å; A898-K901 WeakPolarHBondContact O-CB 3.37Å; A898-K901 PolarHBondContact O-N 3.1Å; A898-D902 PolarHBondContact O-N 2.86Å |
| 899 | A | 84.8 | Confident | 84.9 | Confident | 61 Ų | 61 | 108.8 Ų | 108.8 | 50% | 0.504 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -59.2 | -37.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | A895 D902 R903 | A895-A899 WeakPolarHBondContact O-CB 3.46Å; A895-A899 PolarHBondContact O-N 3.01Å; A899-D902 PolarHBondContact O-N 3.29Å; A899-R903 WeakPolarHBondContact O-CB 3.1Å; A899-R903 PolarHBondContact O-N 2.6Å |
| 900 | M | 86.3 | Confident | 84.9 | Confident | 105 Ų | 105 | 106.2 Ų | 106.2 | 52% | 0.517 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -68.2 | -35.5 | 173.6 | -80 | -148.5 | -73.3 | 0 | 0 | 113.5 | K896 A898 K904 | K896-M900 WeakPolarHBondContact O-CB 3.26Å; K896-M900 WeakPolarHBondContact O-CG 3.39Å; K896-M900 PolarHBondContact O-N 3.27Å; A898-M900 VanDerWaalsContact C-N 3.29Å; A898-M900 PolarHBondContact O-N 2.8Å; M900-K904 WeakPolarHBondContact O-CG 3.23Å; M900-K904 PolarHBondContact O-N 3.35Å |
| 901 | K | 86.7 | Confident | 84.9 | Confident | 138 Ų | 138 | 107.3 Ų | 107.3 | 60% | 0.6 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -64 | -42.9 | 173.7 | -77.1 | 171.6 | -179.7 | 167.9 | 0 | 111.1 | E897 A898 K904 K905 | E897-K901 WeakPolarHBondContact O-CG 3.33Å; E897-K901 PolarHBondContact O-N 2.89Å; E897-K901 VanDerWaalsContact O-N 3.07Å; A898-K901 WeakPolarHBondContact O-CB 3.37Å; A898-K901 PolarHBondContact O-N 3.1Å; K901-K904 WeakPolarHBondContact O-CB 3.34Å; K901-K904 PolarHBondContact O-N 3.09Å; K901-K905 PolarHBondContact O-N 2.86Å; K901-K905 VanDerWaalsContact O-N 3.11Å |
| 902 | D | 83.3 | Confident | 85.1 | Confident | 68 Ų | 68 | 112 Ų | 112 | 36% | 0.364 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -73.1 | -39.8 | 178.7 | -71.3 | -22.6 | 0 | 0 | 0 | 112.4 | A898 A899 K904 K905 Y906 | A898-D902 PolarHBondContact O-N 2.86Å; A899-D902 PolarHBondContact O-N 3.29Å; D902-K904 PolarHBondContact O-N 3.19Å; D902-K905 WeakPolarHBondContact O-CB 3.42Å; D902-K905 PolarHBondContact O-N 3.46Å; D902-K905 WeakPolarHBondContact OD1-CE 3.4Å; D902-K905 IonicContact OD1-NZ 2.7Å; D902-K905 PolarHBondContact OD1-NZ 2.8Å; D902-Y906 VanDerWaalsContact O-CD2 3.22Å; D902-Y906 WeakPolarHBondContact O-CD2 3.38Å; D902-Y906 PolarHBondContact O-N 3.14Å |
| 903 | R | 85.9 | Confident | 85.4 | Confident | 164 Ų | 164 | 110.4 Ų | 110.4 | 62% | 0.619 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -54.2 | -42.1 | 170.1 | -175.5 | 177.1 | 179.1 | 177.9 | 2.1 | 111.4 | A899 Y906 Q907 | A899-R903 WeakPolarHBondContact O-CB 3.1Å; A899-R903 PolarHBondContact O-N 2.6Å; R903-Y906 PolarHBondContact O-N 3.08Å; R903-Q907 PolarHBondContact O-N 3.41Å |
| 904 | K | 89.1 | Confident | 85 | Confident | 134 Ų | 134 | 109.1 Ų | 109.1 | 58% | 0.583 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62.6 | -43 | 174.4 | -80.3 | 179.8 | 176.2 | -179 | 0 | 112.5 | M900 K901 D902 Q907 H908 | M900-K904 WeakPolarHBondContact O-CG 3.23Å; M900-K904 PolarHBondContact O-N 3.35Å; K901-K904 WeakPolarHBondContact O-CB 3.34Å; K901-K904 PolarHBondContact O-N 3.09Å; D902-K904 PolarHBondContact O-N 3.19Å; K904-Q907 PolarHBondContact O-N 3.45Å; K904-H908 PolarHBondContact O-N 2.84Å; K904-H908 VanDerWaalsContact O-N 3.15Å; K904-H908 PolarHBondContact O-ND1 2.84Å |
| 905 | K | 86.4 | Confident | 84.8 | Confident | 137 Ų | 137 | 106 Ų | 106 | 60% | 0.596 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -59.5 | -49.7 | 174.6 | -67.1 | 173.7 | -169.7 | 157.8 | 0 | 111.3 | K901 D902 Q907 H908 E909 | K901-K905 PolarHBondContact O-N 2.86Å; K901-K905 VanDerWaalsContact O-N 3.11Å; D902-K905 WeakPolarHBondContact O-CB 3.42Å; D902-K905 PolarHBondContact O-N 3.46Å; D902-K905 WeakPolarHBondContact OD1-CE 3.4Å; D902-K905 IonicContact OD1-NZ 2.7Å; D902-K905 PolarHBondContact OD1-NZ 2.8Å; K905-Q907 VanDerWaalsContact C-N 3.31Å; K905-Q907 PolarHBondContact O-N 2.96Å; K905-H908 PolarHBondContact O-N 3.35Å; K905-H908 VanDerWaalsContact O-N 3.17Å; K905-E909 PolarHBondContact O-N 3.46Å |
| 906 | Y | 82.4 | Confident | 84.7 | Confident | 172 Ų | 172 | 106 Ų | 106 | 68% | 0.675 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -59.1 | -39.7 | 177.6 | -78.3 | -66.9 | 0 | 0 | 0 | 112.5 | D902 R903 H908 E909 V910 | D902-Y906 VanDerWaalsContact O-CD2 3.22Å; D902-Y906 WeakPolarHBondContact O-CD2 3.38Å; D902-Y906 PolarHBondContact O-N 3.14Å; R903-Y906 PolarHBondContact O-N 3.08Å; Y906-H908 PolarHBondContact O-N 2.82Å; Y906-E909 WeakPolarHBondContact O-CB 3.33Å; Y906-E909 PolarHBondContact O-N 3.17Å; Y906-V910 WeakPolarHBondContact O-CG2 3.47Å; Y906-V910 PolarHBondContact O-N 3.34Å |
| 907 | Q | 82.8 | Confident | 84.4 | Confident | 113 Ų | 113 | 103.4 Ų | 103.4 | 53% | 0.528 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.8 | -40.9 | 176.3 | -117.5 | 168 | -13.5 | 0 | 0 | 112.7 | R903 K904 K905 E909 V910 E911 | R903-Q907 PolarHBondContact O-N 3.41Å; K904-Q907 PolarHBondContact O-N 3.45Å; K905-Q907 VanDerWaalsContact C-N 3.31Å; K905-Q907 PolarHBondContact O-N 2.96Å; Q907-E909 VanDerWaalsContact C-N 3.32Å; Q907-E909 PolarHBondContact O-N 3.38Å; Q907-V910 PolarHBondContact O-N 3.45Å; Q907-E911 WeakPolarHBondContact O-CG 3.33Å; Q907-E911 PolarHBondContact O-N 3.05Å |
| 908 | H | 86.2 | Confident | 83.9 | Confident | 131 Ų | 131 | 105.2 Ų | 105.2 | 61% | 0.606 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -66.8 | -33.7 | 175 | -72.7 | 74.8 | 0 | 0 | 0 | 112.2 | K904 K905 Y906 R912 | K904-H908 PolarHBondContact O-N 2.84Å; K904-H908 VanDerWaalsContact O-N 3.15Å; K904-H908 PolarHBondContact O-ND1 2.84Å; K905-H908 PolarHBondContact O-N 3.35Å; K905-H908 VanDerWaalsContact O-N 3.17Å; Y906-H908 PolarHBondContact O-N 2.82Å; H908-R912 PolarHBondContact O-N 2.82Å; H908-R912 VanDerWaalsContact O-N 3.13Å |
| 909 | E | 83.9 | Confident | 83.6 | Confident | 78 Ų | 78 | 108.9 Ų | 108.9 | 36% | 0.364 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -68.6 | -45.3 | 175.1 | -159.1 | 61.4 | -139.9 | 0 | 0 | 111.5 | K905 Y906 Q907 E911 R912 I913 | K905-E909 PolarHBondContact O-N 3.46Å; Y906-E909 WeakPolarHBondContact O-CB 3.33Å; Y906-E909 PolarHBondContact O-N 3.17Å; Q907-E909 VanDerWaalsContact C-N 3.32Å; Q907-E909 PolarHBondContact O-N 3.38Å; E909-E911 PolarHBondContact O-N 3.05Å; E909-R912 WeakPolarHBondContact O-CB 3.36Å; E909-R912 PolarHBondContact O-N 3.18Å; E909-R912 IonicContact OE1-CZ 2.63Å; E909-R912 IonicContact OE1-NH1 3.83Å; E909-R912 PolarHBondContact OE1-NH1 2.9Å; E909-R912 IonicContact OE1-NH2 3.44Å; E909-R912 IonicContact OE2-CZ 3.52Å; E909-R912 IonicContact OE2-NH1 2.66Å; E909-R912 PolarHBondContact OE2-NH1 3.07Å; E909-R912 IonicContact OE2-NH2 2.65Å; E909-R912 PolarHBondContact OE2-NH2 2.78Å; E909-I913 HydrophobicContact CG-CD1 4.38Å; E909-I913 WeakPolarHBondContact O-CG1 3.45Å; E909-I913 PolarHBondContact O-N 3.02Å |
| 910 | V | 84.2 | Confident | 83.3 | Confident | 69 Ų | 69 | 115.6 Ų | 115.6 | 42% | 0.418 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.8 | -41.1 | 176.6 | 169 | 0 | 0 | 0 | 0 | 111.8 | Y906 Q907 I913 K914 | Y906-V910 WeakPolarHBondContact O-CG2 3.47Å; Y906-V910 PolarHBondContact O-N 3.34Å; Q907-V910 PolarHBondContact O-N 3.45Å; V910-I913 PolarHBondContact O-N 3.1Å; V910-K914 HydrophobicContact CG1-CD 4.16Å; V910-K914 HydrophobicContact CG1-CG 4.42Å; V910-K914 WeakPolarHBondContact O-CB 3.47Å; V910-K914 VanDerWaalsContact O-CG 3.32Å; V910-K914 WeakPolarHBondContact O-CG 3.38Å; V910-K914 PolarHBondContact O-N 3.31Å |
| 911 | E | 85.1 | Confident | 82.2 | Confident | 102 Ų | 102 | 114.9 Ų | 114.9 | 48% | 0.477 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.3 | -42.2 | 173.7 | -76.4 | -64.7 | 115.5 | 0 | 0 | 111.8 | Q907 E909 I913 K914 E915 | Q907-E911 WeakPolarHBondContact O-CG 3.33Å; Q907-E911 PolarHBondContact O-N 3.05Å; E909-E911 PolarHBondContact O-N 3.05Å; E911-I913 PolarHBondContact O-N 2.79Å; E911-K914 PolarHBondContact O-N 3.11Å; E911-K914 IonicContact OE1-NZ 3.83Å; E911-K914 PolarHBondContact OE1-NZ 2.96Å; E911-E915 PolarHBondContact O-N 2.96Å |
| 912 | R | 87.7 | Confident | 81.3 | Confident | 149 Ų | 149 | 115 Ų | 115 | 56% | 0.562 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -60.5 | -43.1 | 175.6 | -161.3 | -169.7 | -52.9 | 135.4 | 19.1 | 111.9 | H908 E909 A916 | H908-R912 PolarHBondContact O-N 2.82Å; H908-R912 VanDerWaalsContact O-N 3.13Å; E909-R912 WeakPolarHBondContact O-CB 3.36Å; E909-R912 PolarHBondContact O-N 3.18Å; E909-R912 IonicContact OE1-CZ 2.63Å; E909-R912 IonicContact OE1-NH1 3.83Å; E909-R912 PolarHBondContact OE1-NH1 2.9Å; E909-R912 IonicContact OE1-NH2 3.44Å; E909-R912 IonicContact OE2-CZ 3.52Å; E909-R912 IonicContact OE2-NH1 2.66Å; E909-R912 PolarHBondContact OE2-NH1 3.07Å; E909-R912 IonicContact OE2-NH2 2.65Å; E909-R912 PolarHBondContact OE2-NH2 2.78Å; R912-A916 PolarHBondContact O-N 2.87Å |
| 913 | I | 84.1 | Confident | 80.4 | Confident | 96 Ų | 96 | 116 Ų | 116 | 49% | 0.492 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -66.9 | -44.3 | 177.2 | -66.5 | 164.8 | 0 | 0 | 0 | 111 | E909 V910 E911 E915 A916 V917 | E909-I913 HydrophobicContact CG-CD1 4.38Å; E909-I913 WeakPolarHBondContact O-CG1 3.45Å; E909-I913 PolarHBondContact O-N 3.02Å; V910-I913 PolarHBondContact O-N 3.1Å; E911-I913 PolarHBondContact O-N 2.79Å; I913-E915 VanDerWaalsContact C-N 3.32Å; I913-E915 PolarHBondContact O-N 2.95Å; I913-A916 PolarHBondContact O-N 2.86Å; I913-V917 HydrophobicContact CG2-CG2 4.4Å; I913-V917 VanDerWaalsContact O-CG2 3.31Å; I913-V917 WeakPolarHBondContact O-CG2 3.39Å; I913-V917 PolarHBondContact O-N 3.12Å |
| 914 | K | 81.2 | Confident | 78.9 | Confident | 105 Ų | 105 | 118.3 Ų | 118.3 | 46% | 0.457 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -59.3 | -41.7 | 177.4 | -78.8 | 174.4 | -177.3 | 172.4 | 0 | 112.1 | V910 E911 V917 R918 | V910-K914 HydrophobicContact CG1-CD 4.16Å; V910-K914 HydrophobicContact CG1-CG 4.42Å; V910-K914 WeakPolarHBondContact O-CB 3.47Å; V910-K914 VanDerWaalsContact O-CG 3.32Å; V910-K914 WeakPolarHBondContact O-CG 3.38Å; V910-K914 PolarHBondContact O-N 3.31Å; E911-K914 PolarHBondContact O-N 3.11Å; E911-K914 IonicContact OE1-NZ 3.83Å; E911-K914 PolarHBondContact OE1-NZ 2.96Å; K914-V917 PolarHBondContact O-N 3.35Å; K914-R918 VanDerWaalsContact O-CB 3.32Å; K914-R918 WeakPolarHBondContact O-CB 3.37Å; K914-R918 PolarHBondContact O-N 2.85Å |
| 915 | E | 81.2 | Confident | 76.9 | Confident | 73 Ų | 73 | 123.5 Ų | 123.5 | 34% | 0.341 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -66.2 | -43.2 | 178.2 | -177.3 | 51.6 | -150.1 | 0 | 0 | 111.6 | E911 I913 V917 R918 Q919 | E911-E915 PolarHBondContact O-N 2.96Å; I913-E915 VanDerWaalsContact C-N 3.32Å; I913-E915 PolarHBondContact O-N 2.95Å; E915-V917 VanDerWaalsContact C-N 3.33Å; E915-V917 PolarHBondContact O-N 3.23Å; E915-R918 WeakPolarHBondContact O-CB 3.46Å; E915-R918 PolarHBondContact O-N 3.48Å; E915-R918 IonicContact OE2-CZ 2.73Å; E915-R918 IonicContact OE2-NH1 3.66Å; E915-R918 PolarHBondContact OE2-NH1 3.02Å; E915-Q919 WeakPolarHBondContact O-CG 3.41Å; E915-Q919 PolarHBondContact O-N 3.42Å; E915-Q919 WeakPolarHBondContact OE1-CG 3.4Å; E915-Q919 PolarHBondContact OE1-NE2 2.87Å |
| 916 | A | 82.3 | Confident | 74.8 | Confident | 61 Ų | 61 | 119.8 Ų | 119.8 | 50% | 0.504 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -59.6 | -40.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | R912 I913 R920 | R912-A916 PolarHBondContact O-N 2.87Å; I913-A916 PolarHBondContact O-N 2.86Å; A916-R920 WeakPolarHBondContact O-CB 3.32Å; A916-R920 PolarHBondContact O-N 2.75Å; A916-R920 VanDerWaalsContact O-N 3.13Å |
| 917 | V | 80.4 | Confident | 72.9 | Confident | 73 Ų | 73 | 121.2 Ų | 121.2 | 44% | 0.442 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -67.7 | -39.5 | 175.4 | 171.9 | 0 | 0 | 0 | 0 | 111.6 | I913 K914 E915 R920 N921 | I913-V917 HydrophobicContact CG2-CG2 4.4Å; I913-V917 VanDerWaalsContact O-CG2 3.31Å; I913-V917 WeakPolarHBondContact O-CG2 3.39Å; I913-V917 PolarHBondContact O-N 3.12Å; K914-V917 PolarHBondContact O-N 3.35Å; E915-V917 VanDerWaalsContact C-N 3.33Å; E915-V917 PolarHBondContact O-N 3.23Å; V917-R920 PolarHBondContact O-N 2.94Å; V917-N921 WeakPolarHBondContact O-CB 3.42Å; V917-N921 PolarHBondContact O-N 3.01Å; V917-N921 PolarHBondContact O-ND2 2.74Å |
| 918 | R | 76.8 | Confident | 70.9 | Confident | 131 Ų | 131 | 121.6 Ų | 121.6 | 49% | 0.494 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -62.6 | -46 | 178.3 | -172 | -176.4 | -69.6 | 136.7 | -6.3 | 111.2 | K914 E915 R920 N921 L922 | K914-R918 VanDerWaalsContact O-CB 3.32Å; K914-R918 WeakPolarHBondContact O-CB 3.37Å; K914-R918 PolarHBondContact O-N 2.85Å; E915-R918 WeakPolarHBondContact O-CB 3.46Å; E915-R918 PolarHBondContact O-N 3.48Å; E915-R918 IonicContact OE2-CZ 2.73Å; E915-R918 IonicContact OE2-NH1 3.66Å; E915-R918 PolarHBondContact OE2-NH1 3.02Å; R918-R920 PolarHBondContact O-N 3.48Å; R918-N921 PolarHBondContact O-N 3.36Å; R918-L922 HydrophobicContact CG-CD1 4.37Å; R918-L922 WeakPolarHBondContact O-CD1 3.33Å; R918-L922 PolarHBondContact O-N 3.42Å; R918-L922 VanDerWaalsContact O-N 3.09Å |
| 919 | Q | 75.4 | Confident | 68.4 | Low | 126 Ų | 126 | 122.7 Ų | 122.7 | 59% | 0.589 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -60.7 | -43 | 174.6 | -68.1 | 177.8 | 15.8 | 0 | 0 | 111.7 | E915 N921 | E915-Q919 WeakPolarHBondContact O-CG 3.41Å; E915-Q919 PolarHBondContact O-N 3.42Å; E915-Q919 WeakPolarHBondContact OE1-CG 3.4Å; E915-Q919 PolarHBondContact OE1-NE2 2.87Å; Q919-N921 VanDerWaalsContact C-N 3.34Å; Q919-N921 PolarHBondContact O-N 3.28Å |
| 920 | R | 77.2 | Confident | 66 | Low | 202 Ų | 202 | 123.9 Ų | 123.9 | 76% | 0.762 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -64.6 | -34.3 | 176.3 | -167.5 | 176.1 | -175 | 174.8 | 2 | 113.4 | A916 V917 R918 | A916-R920 WeakPolarHBondContact O-CB 3.32Å; A916-R920 PolarHBondContact O-N 2.75Å; A916-R920 VanDerWaalsContact O-N 3.13Å; V917-R920 PolarHBondContact O-N 2.94Å; R918-R920 PolarHBondContact O-N 3.48Å |
| 921 | N | 64.7 | Low | 63.5 | Low | 91 Ų | 91 | 129.8 Ų | 129.8 | 49% | 0.487 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -78.5 | -33 | -179.1 | -80 | -24.3 | 0 | 0 | 0 | 113.5 | V917 R918 Q919 A923 R924 | V917-N921 WeakPolarHBondContact O-CB 3.42Å; V917-N921 PolarHBondContact O-N 3.01Å; V917-N921 PolarHBondContact O-ND2 2.74Å; R918-N921 PolarHBondContact O-N 3.36Å; Q919-N921 VanDerWaalsContact C-N 3.34Å; Q919-N921 PolarHBondContact O-N 3.28Å; N921-A923 VanDerWaalsContact C-N 3.26Å; N921-A923 PolarHBondContact O-N 3.41Å; N921-R924 PolarHBondContact O-N 2.91Å; N921-R924 VanDerWaalsContact O-N 3.15Å |
| 922 | L | 67 | Low | 61.1 | Low | 139 Ų | 139 | 133.2 Ų | 133.2 | 73% | 0.728 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -60.2 | -38.2 | 173.7 | -103 | 83.3 | 0 | 0 | 0 | 111.7 | R918 R924 R925 | R918-L922 HydrophobicContact CG-CD1 4.37Å; R918-L922 WeakPolarHBondContact O-CD1 3.33Å; R918-L922 PolarHBondContact O-N 3.42Å; R918-L922 VanDerWaalsContact O-N 3.09Å; L922-R924 PolarHBondContact O-N 3.32Å; L922-R924 VanDerWaalsContact O-N 3.1Å; L922-R925 PolarHBondContact O-N 3.13Å |
| 923 | A | 64.8 | Low | 58.5 | Low | 91 Ų | 91 | 129.3 Ų | 129.3 | 75% | 0.752 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.4 | -15.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | N921 | N921-A923 VanDerWaalsContact C-N 3.26Å; N921-A923 PolarHBondContact O-N 3.41Å |
| 924 | R | 54.1 | Low | 56 | Low | 212 Ų | 212 | 132.9 Ų | 132.9 | 80% | 0.8 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.1 | -15.3 | -175.3 | -103.9 | -175.7 | 171.8 | -170.7 | -3.7 | 115.7 | N921 L922 G926 | N921-R924 PolarHBondContact O-N 2.91Å; N921-R924 VanDerWaalsContact O-N 3.15Å; L922-R924 PolarHBondContact O-N 3.32Å; L922-R924 VanDerWaalsContact O-N 3.1Å; R924-G926 VanDerWaalsContact C-N 3.34Å; R924-G926 PolarHBondContact O-N 2.8Å |
| 925 | R | 47.8 | Very low | 54 | Low | 242 Ų | 242 | 133 Ų | 133 | 91% | 0.913 | 71% | 0.714 | S | S | * | * | trans | -87.3 | 10.7 | -169.1 | -99.1 | -174.5 | 175.6 | -176.9 | -0.7 | 116 | L922 | L922-R925 PolarHBondContact O-N 3.13Š| ||
| 926 | G | 41.8 | Very low | 51.6 | Low | 60 Ų | 60 | 138 Ų | 138 | 62% | 0.619 | 74% | 0.741 | S | S | * | * | trans | -98.9 | 40.9 | -172.6 | 0 | 0 | 0 | 0 | 0 | 117.2 | R924 | R924-G926 VanDerWaalsContact C-N 3.34Å; R924-G926 PolarHBondContact O-N 2.8Å | ||
| 927 | F | 41.6 | Very low | 49 | Very low | 201 Ų | 201 | 141.9 Ų | 141.9 | 88% | 0.882 | 75% | 0.753 | S | S | * | * | trans | -142.2 | 126.4 | 172.7 | -81 | -77.1 | 0 | 0 | 0 | 112.9 | ||||
| 928 | P | 41.1 | Very low | 46.7 | Very low | 122 Ų | 122 | 144.9 Ų | 144.9 | 79% | 0.792 | 78% | 0.776 | S | S | * | * | trans | -100.3 | 142.3 | -176 | 36.8 | -32.6 | 0 | 0 | 0 | 113.9 | ||||
| 929 | T | 34.5 | Very low | 44.2 | Very low | 153 Ų | 153 | 144.5 Ų | 144.5 | 94% | 0.939 | 79% | 0.788 | S | S | * | * | trans | -137.6 | 163.6 | 168.9 | 42.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 930 | A | 33.6 | Very low | 42 | Very low | 104 Ų | 104 | 142.8 Ų | 142.8 | 86% | 0.86 | 80% | 0.795 | S | S | * | * | trans | -92.9 | 168.1 | -143.2 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 931 | Q | 30.6 | Very low | 39.8 | Very low | 192 Ų | 192 | 138.3 Ų | 138.3 | 90% | 0.897 | 80% | 0.795 | S | S | * | * | trans | -76.5 | 138 | -179 | -60.4 | 161 | -68 | 0 | 0 | 113 | ||||
| 932 | I | 34.4 | Very low | 38 | Very low | 175 Ų | 175 | 143.9 Ų | 143.9 | 90% | 0.897 | 82% | 0.815 | S | S | * | * | trans | -134.1 | 135.3 | 149.7 | -63.3 | 179.7 | 0 | 0 | 0 | 106.5 | ||||
| 933 | G | 34.5 | Very low | 36.5 | Very low | 67 Ų | 67 | 142.9 Ų | 142.9 | 69% | 0.691 | 82% | 0.817 | S | S | * | * | trans | -138.1 | 151.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 934 | L | 30.7 | Very low | 35 | Very low | 171 Ų | 171 | 146.9 Ų | 146.9 | 90% | 0.895 | 82% | 0.824 | S | S | * | * | trans | -153.5 | 136.6 | 163.1 | -109 | 141.1 | 0 | 0 | 0 | 108 | ||||
| 935 | P | 38.8 | Very low | 33.9 | Very low | 108 Ų | 108 | 147.8 Ų | 147.8 | 70% | 0.701 | 83% | 0.827 | S | S | * | * | trans | -104.6 | 141.9 | -168.2 | 36.8 | -30 | 0 | 0 | 0 | 113.2 | ||||
| 936 | L | 31.7 | Very low | 33.1 | Very low | 176 Ų | 176 | 142.4 Ų | 142.4 | 92% | 0.921 | 82% | 0.824 | S | S | * | * | trans | -127.9 | 130.4 | 153.7 | -120.9 | 91.5 | 0 | 0 | 0 | 109.6 | ||||
| 937 | L | 28.3 | Very low | 32.4 | Very low | 143 Ų | 143 | 143.1 Ų | 143.1 | 75% | 0.749 | 83% | 0.831 | S | S | * | * | trans | -81.3 | 127.4 | 178.7 | -70.5 | 88 | 0 | 0 | 0 | 110.6 | ||||
| 938 | C | 30.7 | Very low | 31.9 | Very low | 136 Ų | 136 | 143.1 Ų | 143.1 | 92% | 0.919 | 83% | 0.834 | S | S | * | * | trans | -134.2 | 90.5 | 148.9 | -95.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 939 | T | 25.5 | Very low | 31.3 | Very low | 123 Ų | 123 | 146.1 Ų | 146.1 | 76% | 0.755 | 84% | 0.837 | S | S | * | * | trans | -96.9 | 118.7 | 174.9 | 50.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 940 | A | 29.2 | Very low | 31.6 | Very low | 90 Ų | 90 | 144.1 Ų | 144.1 | 74% | 0.744 | 83% | 0.827 | S | S | * | * | trans | -159.2 | 134.5 | 154.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 941 | S | 30 | Very low | 31.5 | Very low | 109 Ų | 109 | 145.6 Ų | 145.6 | 76% | 0.762 | 83% | 0.825 | S | S | * | * | trans | 29.8 | 107.5 | 154.3 | 50 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 942 | K | 26.2 | Very low | 31.2 | Very low | 207 Ų | 207 | 139.9 Ų | 139.9 | 90% | 0.9 | 82% | 0.817 | S | S | * | * | 64 | 143.4 | 63.7 | -73.6 | -171.5 | 173.3 | 177.2 | 0 | 116.2 | |||||
| 943 | P | 37.1 | Very low | 31 | Very low | 118 Ų | 118 | 138.6 Ų | 138.6 | 77% | 0.766 | 81% | 0.81 | S | S | * | * | trans | -103.3 | 165.6 | -158.1 | 40.5 | -35.5 | 0 | 0 | 0 | 114.8 | ||||
| 944 | I | 32.1 | Very low | 30.5 | Very low | 176 Ų | 176 | 143.7 Ų | 143.7 | 90% | 0.903 | 82% | 0.818 | S | S | * | * | trans | -109.8 | 143.6 | 167.2 | -64.1 | 179.8 | 0 | 0 | 0 | 109.7 | ||||
| 945 | R | 31.6 | Very low | 30.4 | Very low | 230 Ų | 230 | 142.8 Ų | 142.8 | 87% | 0.868 | 81% | 0.813 | S | S | * | * | trans | -91.2 | 159.3 | -163 | -74.3 | 176.2 | 168.2 | -176.5 | -4.7 | 114.4 | ||||
| 946 | P | 31.2 | Very low | 29.8 | Very low | 130 Ų | 130 | 145.2 Ų | 145.2 | 84% | 0.844 | 82% | 0.815 | S | S | * | * | trans | -82.3 | 156.8 | 164.4 | 35.7 | -34.9 | 0 | 0 | 0 | 112.5 | ||||
| 947 | G | 27 | Very low | 29.6 | Very low | 74 Ų | 74 | 142.7 Ų | 142.7 | 76% | 0.763 | 81% | 0.809 | S | S | * | * | trans | 136.6 | 110.1 | 157.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 948 | Q | 31.5 | Very low | 29.6 | Very low | 202 Ų | 202 | 144.2 Ų | 144.2 | 94% | 0.944 | 82% | 0.817 | S | S | * | * | trans | -151.3 | 144.1 | 143.6 | -116 | 173.6 | 4 | 0 | 0 | 110.5 | ||||
| 949 | H | 28.1 | Very low | 29.3 | Very low | 184 Ų | 184 | 143.7 Ų | 143.7 | 85% | 0.852 | 81% | 0.809 | S | S | * | * | trans | -110.8 | 172 | -169 | -104.6 | -80.8 | 0 | 0 | 0 | 110.9 | ||||
| 950 | P | 41.3 | Very low | 29.2 | Very low | 112 Ų | 112 | 142.2 Ų | 142.2 | 73% | 0.727 | 81% | 0.81 | S | S | * | * | trans | -88.9 | 162 | -158.7 | 36 | -37.9 | 0 | 0 | 0 | 114.7 | ||||
| 951 | V | 31.2 | Very low | 29.2 | Very low | 135 Ų | 135 | 149.9 Ų | 149.9 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | trans | -134.5 | 124.2 | 160.6 | -176.8 | 0 | 0 | 0 | 0 | 108 | ||||
| 952 | G | 24.5 | Very low | 28.8 | Very low | 71 Ų | 71 | 151.5 Ų | 151.5 | 73% | 0.732 | 82% | 0.82 | S | S | * | * | trans | -99.2 | 152 | 169 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 953 | I | 29.6 | Very low | 28.9 | Very low | 149 Ų | 149 | 148 Ų | 148 | 76% | 0.764 | 81% | 0.811 | S | S | * | * | trans | -132.3 | 115.9 | 162.5 | -63.5 | -177.5 | 0 | 0 | 0 | 107.6 | I955 | I953-I955 HydrophobicContact CG2-CD1 3.91Å; I953-I955 HydrophobicContact CG2-CG1 3.85Å | ||
| 954 | M | 23.7 | Very low | 28.4 | Very low | 174 Ų | 174 | 149.3 Ų | 149.3 | 86% | 0.857 | 81% | 0.811 | S | S | * | * | trans | -115.8 | 118.9 | 173.2 | -165.8 | -174.9 | -147.7 | 0 | 0 | 106.1 | ||||
| 955 | I | 28.9 | Very low | 28.2 | Very low | 151 Ų | 151 | 144 Ų | 144 | 77% | 0.774 | 80% | 0.801 | S | S | * | * | trans | -120.7 | 114.8 | 176.3 | -65 | 176.2 | 0 | 0 | 0 | 107.7 | I953 | I953-I955 HydrophobicContact CG2-CD1 3.91Å; I953-I955 HydrophobicContact CG2-CG1 3.85Å | ||
| 956 | Q | 26.4 | Very low | 27.8 | Very low | 159 Ų | 159 | 139.8 Ų | 139.8 | 74% | 0.743 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -84.9 | 157.4 | 174.3 | -73.7 | 177.3 | -33.7 | 0 | 0 | 111.1 | ||
| 957 | P | 27.8 | Very low | 27.5 | Very low | 123 Ų | 123 | 139.1 Ų | 139.1 | 80% | 0.799 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 144.1 | -176.6 | -2.7 | 21.9 | 0 | 0 | 0 | 112.3 | ||
| 958 | L | 28.4 | Very low | 27.4 | Very low | 175 Ų | 175 | 142.5 Ų | 142.5 | 92% | 0.916 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 152.7 | 173.9 | -90.6 | 162.4 | 0 | 0 | 0 | 112.8 | ||
| 959 | T | 24.7 | Very low | 27.1 | Very low | 125 Ų | 125 | 137 Ų | 137 | 77% | 0.767 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -96.6 | 150.6 | -159.5 | 50.1 | 0 | 0 | 0 | 0 | 115.7 | ||
| 960 | A | 23.3 | Very low | 27.1 | Very low | 93 Ų | 93 | 134.6 Ų | 134.6 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | trans | -0.5 | 142.8 | 149.5 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 961 | R | 28.1 | Very low | 27.1 | Very low | 250 Ų | 250 | 134.8 Ų | 134.8 | 94% | 0.943 | 78% | 0.783 | S | S | * | * | trans | -146.2 | 122 | 147.2 | -124 | 176.9 | -176.2 | 176.9 | 1 | 112.6 | ||||
| 962 | N | 22.5 | Very low | 27.1 | Very low | 143 Ų | 143 | 136.7 Ų | 136.7 | 77% | 0.765 | 79% | 0.788 | S | S | * | * | trans | -68.1 | 155.2 | 166.2 | -72 | -20.3 | 0 | 0 | 0 | 111.3 | ||||
| 963 | N | 27.2 | Very low | 27.3 | Very low | 134 Ų | 134 | 139.4 Ų | 139.4 | 72% | 0.717 | 79% | 0.789 | S | S | * | * | 176.9 | 136 | 104.9 | -99.5 | -1.5 | 0 | 0 | 0 | 116.1 | |||||
| 964 | N | 27.4 | Very low | 27.6 | Very low | 145 Ų | 145 | 140 Ų | 140 | 78% | 0.775 | 79% | 0.794 | S | S | * | * | trans | 71.5 | 137.4 | 133.1 | -61.1 | -7.7 | 0 | 0 | 0 | 124.6 | ||||
| 965 | G | 27.1 | Very low | 27.7 | Very low | 66 Ų | 66 | 140.7 Ų | 140.7 | 68% | 0.68 | 80% | 0.795 | S | S | * | * | trans | 81.9 | 107.9 | 149.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 966 | V | 23.2 | Very low | 27.9 | Very low | 141 Ų | 141 | 141.8 Ų | 141.8 | 86% | 0.855 | 83% | 0.827 | S | S | * | * | cis | 66.1 | 131.2 | 30.8 | -152.2 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 967 | V | 25.4 | Very low | 28 | Very low | 116 Ų | 116 | 141 Ų | 141 | 70% | 0.703 | 83% | 0.831 | S | S | * | * | trans | 105 | 97 | 158 | -169.1 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 968 | N | 24.7 | Very low | 28 | Very low | 145 Ų | 145 | 141.9 Ų | 141.9 | 78% | 0.775 | 83% | 0.833 | S | S | * | * | trans | 68.3 | 137.1 | 133.1 | -63.6 | -3.1 | 0 | 0 | 0 | 125.6 | ||||
| 969 | A | 25.4 | Very low | 28 | Very low | 87 Ų | 87 | 140.1 Ų | 140.1 | 72% | 0.719 | 83% | 0.829 | S | S | * | * | 66.2 | 146.8 | 129 | 0 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 970 | T | 28.1 | Very low | 28.2 | Very low | 132 Ų | 132 | 140.9 Ų | 140.9 | 81% | 0.81 | 83% | 0.832 | S | S | * | * | cis | -160.2 | 168.9 | -1 | 7.8 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 971 | P | 41.5 | Very low | 28.5 | Very low | 117 Ų | 117 | 143.9 Ų | 143.9 | 76% | 0.76 | 84% | 0.836 | S | S | * | * | trans | -84.5 | 158.6 | -173.2 | 35.4 | -35.3 | 0 | 0 | 0 | 113.8 | ||||
| 972 | L | 32 | Very low | 28.5 | Very low | 175 Ų | 175 | 136.9 Ų | 136.9 | 92% | 0.916 | 83% | 0.829 | S | S | * | * | trans | -129.7 | 124.6 | 163.4 | -104 | 166 | 0 | 0 | 0 | 110.2 | ||||
| 973 | V | 27.9 | Very low | 28.9 | Very low | 127 Ų | 127 | 136.4 Ų | 136.4 | 77% | 0.77 | 83% | 0.834 | S | S | * | * | trans | -78 | 133.8 | 173.2 | 171.9 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 974 | N | 35.5 | Very low | 29 | Very low | 162 Ų | 162 | 136.6 Ų | 136.6 | 87% | 0.866 | 84% | 0.843 | S | S | * | * | trans | -106.1 | 141.2 | 164.5 | -104.2 | -13.8 | 0 | 0 | 0 | 110.1 | ||||
| 975 | Q | 25.8 | Very low | 29.2 | Very low | 188 Ų | 188 | 135.9 Ų | 135.9 | 88% | 0.879 | 85% | 0.848 | S | S | * | * | trans | -82.1 | 149.3 | -169 | -64.3 | 166 | -44.3 | 0 | 0 | 113 | ||||
| 976 | A | 33.9 | Very low | 29.4 | Very low | 175 Ų | 175 | 142.3 Ų | 142.3 | 100% | 1.446 | 86% | 0.864 | S | S | * | * | trans | -138.3 | 0 | 137.4 | 0 | 0 | 0 | 0 | 0 | 107.1 |
Retrieved 976 of 976 residues in 352.9 ms
(Link to these results)