| 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 | 28.6 | Very low | 71.7 | Confident | 241 Ų | 241 | 94.2 Ų | 94.2 | 100% | 1.187 | 51% | 0.513 | S | S | * | . | 0 | 98.7 | 0 | -68.5 | 173.8 | -166.2 | 0 | 0 | 107 | L3 | M1-L3 PolarHBondContact O-N 3.49Š| |||
| 2 | S | 35.2 | Very low | 73.6 | Confident | 105 Ų | 105 | 88.1 Ų | 88.1 | 73% | 0.734 | 48% | 0.479 | S | S | * | . | trans | -68.7 | 111.1 | 162.4 | 166.1 | 0 | 0 | 0 | 0 | 105 | T4 | S2-T4 PolarHBondContact O-N 3.19Š| ||
| 3 | L | 43 | Very low | 75.2 | Confident | 168 Ų | 168 | 84.2 Ų | 84.2 | 88% | 0.88 | 46% | 0.457 | S | S | * | . | trans | -58.2 | 95.9 | 157.3 | -83.2 | 144.1 | 0 | 0 | 0 | 103.9 | M1 S5 | M1-L3 PolarHBondContact O-N 3.49Å; L3-S5 VanDerWaalsContact C-N 3.32Å; L3-S5 PolarHBondContact O-N 3.34Å | ||
| 4 | T | 53.1 | Low | 76.7 | Confident | 79 Ų | 79 | 78.6 Ų | 78.6 | 49% | 0.485 | 43% | 0.426 | S | S | . | . | trans | -55.9 | 103.8 | 173.8 | 36.9 | 0 | 0 | 0 | 0 | 106.3 | S2 F6 | S2-T4 PolarHBondContact O-N 3.19Å; T4-F6 PolarHBondContact O-N 2.64Å; T4-F6 VanDerWaalsContact O-N 3.14Å | ||
| 5 | S | 77.4 | Confident | 77.9 | Confident | 107 Ų | 107 | 77.7 Ų | 77.7 | 75% | 0.748 | 43% | 0.428 | S | S | * | . | trans | -64.2 | 114.4 | 174.8 | 54.8 | 0 | 0 | 0 | 0 | 106.5 | L3 | L3-S5 VanDerWaalsContact C-N 3.32Å; L3-S5 PolarHBondContact O-N 3.34Å | ||
| 6 | F | 86.4 | Confident | 79 | Confident | 70 Ų | 70 | 76.9 Ų | 76.9 | 31% | 0.307 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 150.4 | 169.9 | 57.4 | -91.3 | 0 | 0 | 0 | 109 | T4 K8 Y131 E133 | T4-F6 PolarHBondContact O-N 2.64Å; T4-F6 VanDerWaalsContact O-N 3.14Å; F6-K8 HydrophobicContact CE2-CG 4.2Å; F6-Y131 CarbonylContact C-O 3.56Å; F6-Y131 WeakPolarHBondContact CA-O 3.41Å; F6-Y131 WeakPolarHBondContact CB-O 3.32Å; F6-E133 HydrophobicContact CD2-CB 3.49Å; F6-E133 VanDerWaalsContact CD2-CB 3.49Å; F6-E133 HydrophobicContact CD2-CG 4.34Å; F6-E133 HydrophobicContact CE2-CB 3.96Å; F6-E133 HydrophobicContact CE2-CG 4.36Å; F6-E133 HydrophobicContact CG-CB 4.26Å |
| 7 | V | 91.6 | Very high | 80 | Confident | 39 Ų | 39 | 74.4 Ų | 74.4 | 24% | 0.236 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 126.9 | 174.1 | -177.8 | 0 | 0 | 0 | 0 | 107.7 | F9 M130 Y131 F132 E133 M445 | V7-F9 PolarHBondContact O-N 2.99Å; V7-M130 HydrophobicContact CG2-CB 4.47Å; V7-M130 HydrophobicContact CG2-SD 4.13Å; V7-Y131 PolarHBondContact N-O 2.82Å; V7-F132 HydrophobicContact CB-CD1 3.94Å; V7-F132 HydrophobicContact CB-CE1 4.01Å; V7-F132 HydrophobicContact CG1-CD1 4.09Å; V7-F132 HydrophobicContact CG1-CE1 3.92Å; V7-F132 CarbonylContact O-C 3.55Å; V7-F132 WeakPolarHBondContact O-CA 3.42Å; V7-E133 PolarHBondContact O-N 2.85Å; V7-M445 HydrophobicContact CG1-CG 4.08Å |
| 8 | K | 93.7 | Very high | 80.9 | Confident | 77 Ų | 77 | 72.2 Ų | 72.2 | 34% | 0.335 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 109.9 | 172.4 | -69 | 173.9 | 175.2 | -179.8 | 0 | 108.1 | F6 R10 N11 D13 | F6-K8 HydrophobicContact CE2-CG 4.2Å; K8-R10 PolarHBondContact O-N 3.36Å; K8-N11 PolarHBondContact O-N 3.37Å; K8-D13 HydrophobicContact CD-CB 3.98Å; K8-D13 VanDerWaalsContact CE-OD1 3.24Å; K8-D13 WeakPolarHBondContact CE-OD1 3.45Å; K8-D13 IonicContact NZ-OD1 3.8Å; K8-D13 PolarHBondContact NZ-OD1 2.9Å; K8-D13 VanDerWaalsContact NZ-OD1 3.11Å; K8-D13 IonicContact NZ-OD2 3.63Å; K8-D13 PolarHBondContact NZ-OD2 2.71Å; K8-D13 VanDerWaalsContact NZ-OD2 3.11Å |
| 9 | F | 94.9 | Very high | 81.6 | Confident | 1 Ų | 1 | 76.3 Ų | 76.3 | 0% | 0.004 | 41% | 0.41 | C | S | . | . | G | 310 helix | trans | -64.9 | 133.2 | -177.8 | -174.8 | -112 | 0 | 0 | 0 | 110.2 | V7 N11 Q12 F132 E133 V134 K169 L170 M445 V446 | V7-F9 PolarHBondContact O-N 2.99Å; F9-N11 PolarHBondContact O-N 3Å; F9-N11 VanDerWaalsContact O-N 3.08Å; F9-Q12 PolarHBondContact O-N 3.47Å; F9-F132 HydrophobicContact CD2-CD1 4.19Å; F9-E133 WeakPolarHBondContact CB-O 3.44Å; F9-E133 PolarHBondContact N-O 3.46Å; F9-V134 HydrophobicContact CB-CG2 4.08Å; F9-V134 HydrophobicContact CD1-CG1 4.32Å; F9-V134 HydrophobicContact CD1-CG2 4.38Å; F9-V134 HydrophobicContact CG-CG2 4.3Å; F9-K169 HydrophobicContact CD1-CG 4.43Å; F9-K169 HydrophobicContact CE1-CG 3.96Å; F9-L170 HydrophobicContact CD2-CD1 3.88Å; F9-L170 HydrophobicContact CE2-CD1 3.87Å; F9-L170 HydrophobicContact CG-CD1 4.35Å; F9-L170 HydrophobicContact CZ-CD1 4.32Å; F9-M445 HydrophobicContact CD2-CB 4.38Å; F9-V446 HydrophobicContact CZ-CG2 4.13Å |
| 10 | R | 93.2 | Very high | 82.3 | Confident | 44 Ų | 44 | 77.2 Ų | 77.2 | 17% | 0.166 | 41% | 0.412 | C | S | . | . | G | 310 helix | trans | 49.8 | 31.3 | -173.7 | -60.2 | -177.3 | 176.1 | -150.7 | 12.9 | 114.1 | K8 Q12 E32 T444 V446 | K8-R10 PolarHBondContact O-N 3.36Å; R10-Q12 PolarHBondContact O-N 3.11Å; R10-E32 HydrophobicContact CB-CG 4.31Å; R10-E32 WeakPolarHBondContact CD-OE2 3.32Å; R10-E32 IonicContact CZ-OE2 2.91Å; R10-E32 PolarHBondContact NH1-O 2.95Å; R10-E32 IonicContact NH1-OE2 3.51Å; R10-E32 PolarHBondContact NH1-OE2 3.17Å; R10-T444 WeakPolarHBondContact CA-O 3.48Å; R10-T444 PolarHBondContact N-O 3.4Å; R10-T444 VanDerWaalsContact N-O 3.09Å; R10-V446 HydrophobicContact CG-CG2 3.86Å; R10-V446 VanDerWaalsContact NE-CG2 3.29Å |
| 11 | N | 91.2 | Very high | 82.8 | Confident | 105 Ų | 105 | 74.3 Ų | 74.3 | 56% | 0.561 | 40% | 0.396 | S | S | * | . | G | 310 helix | trans | 59.1 | 16.1 | 179.5 | -58.1 | -54 | 0 | 0 | 0 | 115.4 | K8 F9 L443 | K8-N11 PolarHBondContact O-N 3.37Å; F9-N11 PolarHBondContact O-N 3Å; F9-N11 VanDerWaalsContact O-N 3.08Å; N11-L443 PolarHBondContact ND2-O 3.49Å; N11-L443 VanDerWaalsContact ND2-O 3.08Å |
| 12 | Q | 94.6 | Very high | 85.9 | Confident | 21 Ų | 21 | 67.4 Ų | 67.4 | 10% | 0.098 | 36% | 0.363 | C | S | . | . | trans | -80.5 | 121.5 | 177.4 | -70.8 | 179.8 | -43.3 | 0 | 0 | 111.4 | F9 R10 L17 D30 E32 | F9-Q12 PolarHBondContact O-N 3.47Å; R10-Q12 PolarHBondContact O-N 3.11Å; Q12-L17 HydrophobicContact CB-CD1 3.93Å; Q12-L17 HydrophobicContact CG-CD1 4.27Å; Q12-D30 PolarHBondContact NE2-OD1 2.9Å; Q12-E32 HydrophobicContact CG-CG 4.28Å | ||
| 13 | D | 94.6 | Very high | 88.7 | Confident | 37 Ų | 37 | 67.8 Ų | 67.8 | 20% | 0.198 | 36% | 0.362 | C | S | . | . | trans | -99 | 103 | 175.6 | -176.9 | 23.7 | 0 | 0 | 0 | 111.6 | K8 S15 T16 L17 | K8-D13 HydrophobicContact CD-CB 3.98Å; K8-D13 VanDerWaalsContact CE-OD1 3.24Å; K8-D13 WeakPolarHBondContact CE-OD1 3.45Å; K8-D13 IonicContact NZ-OD1 3.8Å; K8-D13 PolarHBondContact NZ-OD1 2.9Å; K8-D13 VanDerWaalsContact NZ-OD1 3.11Å; K8-D13 IonicContact NZ-OD2 3.63Å; K8-D13 PolarHBondContact NZ-OD2 2.71Å; K8-D13 VanDerWaalsContact NZ-OD2 3.11Å; D13-S15 VanDerWaalsContact C-N 3.25Å; D13-S15 PolarHBondContact O-N 2.77Å; D13-S15 VanDerWaalsContact O-N 3.16Å; D13-T16 PolarHBondContact O-N 3.4Å; D13-T16 WeakPolarHBondContact OD2-CB 3.45Å; D13-T16 PolarHBondContact OD2-OG1 3.29Å; D13-L17 WeakPolarHBondContact O-CB 3.46Å; D13-L17 WeakPolarHBondContact O-CG 3.31Å; D13-L17 PolarHBondContact O-N 3.3Å | ||
| 14 | Y | 95.8 | Very high | 91 | Very high | 7 Ų | 7 | 68 Ų | 68 | 3% | 0.027 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -49 | -44.9 | -179.3 | 167.8 | -98.4 | 0 | 0 | 0 | 113.2 | T16 K18 I120 R122 T135 | Y14-T16 PolarHBondContact O-N 3.21Å; Y14-K18 HydrophobicContact CE1-CD 4.08Å; Y14-K18 HydrophobicContact CE2-CD 4.16Å; Y14-K18 WeakPolarHBondContact O-CB 3.37Å; Y14-K18 PolarHBondContact O-N 3.03Å; Y14-K18 VanDerWaalsContact OH-CD 3.3Å; Y14-K18 WeakPolarHBondContact OH-CD 3.21Å; Y14-K18 PolarHBondContact OH-NZ 3.27Å; Y14-I120 HydrophobicContact CD2-CD1 4.08Å; Y14-I120 HydrophobicContact CD2-CG1 3.92Å; Y14-I120 HydrophobicContact CE2-CG1 4.1Å; Y14-I120 HydrophobicContact CE2-CG2 4.08Å; Y14-R122 VanDerWaalsContact CD1-CD 3.47Å; Y14-R122 HydrophobicContact CD1-CG 3.93Å; Y14-R122 HydrophobicContact CD2-CB 3.72Å; Y14-R122 HydrophobicContact CD2-CG 3.82Å; Y14-R122 HydrophobicContact CE1-CG 4.09Å; Y14-R122 HydrophobicContact CE2-CB 4.27Å; Y14-R122 HydrophobicContact CE2-CG 4.02Å; Y14-R122 HydrophobicContact CG-CB 3.86Å; Y14-R122 HydrophobicContact CG-CG 3.77Å; Y14-T135 HydrophobicContact CD2-CG2 4.35Å |
| 15 | S | 94.5 | Very high | 92.9 | Very high | 65 Ų | 65 | 67.6 Ų | 67.6 | 46% | 0.455 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -68.6 | -40.4 | -172.9 | -50.9 | 0 | 0 | 0 | 0 | 111.6 | D13 K19 | D13-S15 VanDerWaalsContact C-N 3.25Å; D13-S15 PolarHBondContact O-N 2.77Å; D13-S15 VanDerWaalsContact O-N 3.16Å; S15-K19 WeakPolarHBondContact O-CB 3.38Å; S15-K19 PolarHBondContact O-N 2.75Å |
| 16 | T | 96 | Very high | 93.6 | Very high | 64 Ų | 64 | 65.5 Ų | 65.5 | 39% | 0.393 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -68.3 | -51.6 | 177.2 | -62 | 0 | 0 | 0 | 0 | 110.4 | D13 Y14 K18 K19 E20 | D13-T16 PolarHBondContact O-N 3.4Å; D13-T16 WeakPolarHBondContact OD2-CB 3.45Å; D13-T16 PolarHBondContact OD2-OG1 3.29Å; Y14-T16 PolarHBondContact O-N 3.21Å; T16-K18 VanDerWaalsContact C-N 3.35Å; T16-K18 PolarHBondContact O-N 3.01Å; T16-K19 PolarHBondContact O-N 2.92Å; T16-K19 VanDerWaalsContact O-N 3.15Å; T16-E20 WeakPolarHBondContact CG2-OE1 3.43Å; T16-E20 WeakPolarHBondContact O-CG 3.46Å; T16-E20 PolarHBondContact O-N 3.13Å |
| 17 | L | 96.3 | Very high | 94.1 | Very high | 34 Ų | 34 | 64.8 Ų | 64.8 | 18% | 0.178 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -58.8 | -44.7 | 179.3 | -69 | 171.5 | 0 | 0 | 0 | 111.8 | Q12 D13 K19 E20 Q21 F28 I120 T135 | Q12-L17 HydrophobicContact CB-CD1 3.93Å; Q12-L17 HydrophobicContact CG-CD1 4.27Å; D13-L17 WeakPolarHBondContact O-CB 3.46Å; D13-L17 WeakPolarHBondContact O-CG 3.31Å; D13-L17 PolarHBondContact O-N 3.3Å; L17-K19 PolarHBondContact O-N 2.89Å; L17-E20 PolarHBondContact O-N 3.03Å; L17-Q21 VanDerWaalsContact O-CG 3.3Å; L17-Q21 WeakPolarHBondContact O-CG 3.45Å; L17-Q21 PolarHBondContact O-N 2.75Å; L17-F28 HydrophobicContact CB-CE2 4.35Å; L17-F28 HydrophobicContact CD1-CE2 4.03Å; L17-F28 HydrophobicContact CD1-CZ 4Å; L17-F28 HydrophobicContact CD2-CE2 4.17Å; L17-F28 HydrophobicContact CG-CE2 4.42Å; L17-I120 HydrophobicContact CB-CD1 3.61Å; L17-T135 HydrophobicContact CD1-CG2 4.26Å |
| 18 | K | 95.6 | Very high | 94.3 | Very high | 36 Ų | 36 | 63.3 Ų | 63.3 | 16% | 0.157 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.3 | -44.1 | 176.8 | -179.4 | 169.9 | -176.6 | 169.8 | 0 | 112.1 | Y14 T16 Q21 L22 S106 P118 I120 | Y14-K18 HydrophobicContact CE1-CD 4.08Å; Y14-K18 HydrophobicContact CE2-CD 4.16Å; Y14-K18 WeakPolarHBondContact O-CB 3.37Å; Y14-K18 PolarHBondContact O-N 3.03Å; Y14-K18 VanDerWaalsContact OH-CD 3.3Å; Y14-K18 WeakPolarHBondContact OH-CD 3.21Å; Y14-K18 PolarHBondContact OH-NZ 3.27Å; T16-K18 VanDerWaalsContact C-N 3.35Å; T16-K18 PolarHBondContact O-N 3.01Å; K18-Q21 PolarHBondContact O-N 2.78Å; K18-L22 HydrophobicContact CG-CD1 3.98Å; K18-L22 HydrophobicContact CG-CG 4.47Å; K18-L22 WeakPolarHBondContact O-CB 3.41Å; K18-L22 VanDerWaalsContact O-CG 3.29Å; K18-L22 WeakPolarHBondContact O-CG 3.36Å; K18-L22 PolarHBondContact O-N 2.85Å; K18-S106 PolarHBondContact NZ-O 3.08Å; K18-P118 HydrophobicContact CD-CG 4.5Å; K18-P118 HydrophobicContact CG-CG 4.12Å; K18-I120 HydrophobicContact CB-CD1 4.48Å; K18-I120 HydrophobicContact CB-CG2 3.84Å; K18-I120 HydrophobicContact CD-CG2 4.23Å; K18-I120 HydrophobicContact CG-CG2 3.91Å |
| 19 | K | 95.3 | Very high | 94.4 | Very high | 149 Ų | 149 | 62.9 Ų | 62.9 | 65% | 0.648 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -63.6 | -41.9 | 178.5 | -176.3 | -178.5 | 176.6 | -174.6 | 0 | 111.6 | S15 T16 L17 T23 | S15-K19 WeakPolarHBondContact O-CB 3.38Å; S15-K19 PolarHBondContact O-N 2.75Å; T16-K19 PolarHBondContact O-N 2.92Å; T16-K19 VanDerWaalsContact O-N 3.15Å; L17-K19 PolarHBondContact O-N 2.89Å; K19-T23 WeakPolarHBondContact O-CB 3.31Å; K19-T23 PolarHBondContact O-N 3.36Å; K19-T23 PolarHBondContact O-OG1 3.3Å |
| 20 | E | 94.9 | Very high | 94.4 | Very high | 95 Ų | 95 | 62.9 Ų | 62.9 | 44% | 0.444 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -62.5 | -45.6 | 177.1 | -72.6 | 173.3 | -178.2 | 0 | 0 | 111.6 | T16 L17 T23 R24 | T16-E20 WeakPolarHBondContact CG2-OE1 3.43Å; T16-E20 WeakPolarHBondContact O-CG 3.46Å; T16-E20 PolarHBondContact O-N 3.13Å; L17-E20 PolarHBondContact O-N 3.03Å; E20-T23 PolarHBondContact O-N 2.8Å; E20-R24 WeakPolarHBondContact O-CB 3.21Å; E20-R24 VanDerWaalsContact O-CG 3.31Å; E20-R24 WeakPolarHBondContact O-CG 3.44Å; E20-R24 PolarHBondContact O-N 3.37Å |
| 21 | Q | 93.4 | Very high | 94.5 | Very high | 16 Ų | 16 | 66.6 Ų | 66.6 | 8% | 0.075 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -65.3 | -42.7 | 178.7 | -64.1 | -27.9 | -37.7 | 0 | 0 | 112.8 | L17 K18 T23 R24 G25 V26 F28 P118 | L17-Q21 VanDerWaalsContact O-CG 3.3Å; L17-Q21 WeakPolarHBondContact O-CG 3.45Å; L17-Q21 PolarHBondContact O-N 2.75Å; K18-Q21 PolarHBondContact O-N 2.78Å; Q21-T23 VanDerWaalsContact C-N 3.3Å; Q21-T23 PolarHBondContact O-N 3.47Å; Q21-R24 PolarHBondContact O-N 3.05Å; Q21-G25 PolarHBondContact O-N 2.94Å; Q21-V26 WeakPolarHBondContact CB-O 3.45Å; Q21-V26 PolarHBondContact O-N 2.8Å; Q21-V26 VanDerWaalsContact OE1-CG2 3.22Å; Q21-F28 HydrophobicContact CG-CB 3.81Å; Q21-F28 HydrophobicContact CG-CD2 4Å; Q21-F28 HydrophobicContact CG-CG 4.36Å; Q21-P118 HydrophobicContact CB-CB 4.28Å |
| 22 | L | 92.7 | Very high | 94.6 | Very high | 96 Ų | 96 | 65.3 Ų | 65.3 | 50% | 0.503 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -61.1 | -39.4 | 174 | -72.9 | 171.2 | 0 | 0 | 0 | 112.1 | K18 G25 P118 | K18-L22 HydrophobicContact CG-CD1 3.98Å; K18-L22 HydrophobicContact CG-CG 4.47Å; K18-L22 WeakPolarHBondContact O-CB 3.41Å; K18-L22 VanDerWaalsContact O-CG 3.29Å; K18-L22 WeakPolarHBondContact O-CG 3.36Å; K18-L22 PolarHBondContact O-N 2.85Å; L22-G25 PolarHBondContact O-N 2.87Å; L22-P118 HydrophobicContact CD2-CB 4.01Å; L22-P118 HydrophobicContact CD2-CG 3.98Å; L22-P118 HydrophobicContact CG-CB 4.15Å; L22-P118 HydrophobicContact CG-CG 4.23Å |
| 23 | T | 93.7 | Very high | 94.6 | Very high | 114 Ų | 114 | 64.4 Ų | 64.4 | 70% | 0.699 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -68.7 | -36.3 | 178.8 | -56.1 | 0 | 0 | 0 | 0 | 111.7 | K19 E20 Q21 | K19-T23 WeakPolarHBondContact O-CB 3.31Å; K19-T23 PolarHBondContact O-N 3.36Å; K19-T23 PolarHBondContact O-OG1 3.3Å; E20-T23 PolarHBondContact O-N 2.8Å; Q21-T23 VanDerWaalsContact C-N 3.3Å; Q21-T23 PolarHBondContact O-N 3.47Å |
| 24 | R | 92.9 | Very high | 94.4 | Very high | 172 Ų | 172 | 65.8 Ų | 65.8 | 65% | 0.649 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -80.6 | -16.5 | 179 | -70.4 | 172 | 65.9 | -173.7 | -0.9 | 113.3 | E20 Q21 V26 | E20-R24 WeakPolarHBondContact O-CB 3.21Å; E20-R24 VanDerWaalsContact O-CG 3.31Å; E20-R24 WeakPolarHBondContact O-CG 3.44Å; E20-R24 PolarHBondContact O-N 3.37Å; Q21-R24 PolarHBondContact O-N 3.05Å; R24-V26 VanDerWaalsContact C-N 3.26Å; R24-V26 HydrophobicContact CB-CG2 3.81Å; R24-V26 PolarHBondContact O-N 2.84Å |
| 25 | G | 91.4 | Very high | 94 | Very high | 71 Ų | 71 | 67.4 Ų | 67.4 | 73% | 0.732 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.1 | 27.5 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q21 L22 | Q21-G25 PolarHBondContact O-N 2.94Å; L22-G25 PolarHBondContact O-N 2.87Å |
| 26 | V | 93.8 | Very high | 93.5 | Very high | 63 Ų | 63 | 71.3 Ų | 71.3 | 38% | 0.382 | 38% | 0.375 | S | S | . | . | trans | -119.9 | 152.1 | 178.6 | -58.5 | 0 | 0 | 0 | 0 | 110.1 | Q21 R24 | Q21-V26 WeakPolarHBondContact CB-O 3.45Å; Q21-V26 PolarHBondContact O-N 2.8Å; Q21-V26 VanDerWaalsContact OE1-CG2 3.22Å; R24-V26 VanDerWaalsContact C-N 3.26Å; R24-V26 HydrophobicContact CB-CG2 3.81Å; R24-V26 PolarHBondContact O-N 2.84Å | ||
| 27 | K | 95.1 | Very high | 93 | Very high | 55 Ų | 55 | 70.1 Ų | 70.1 | 24% | 0.239 | 37% | 0.369 | C | S | . | . | trans | -79.1 | 142.7 | 175.4 | -60 | -174.5 | 179.7 | 178.1 | 0 | 110.1 | R54 S56 P118 | K27-R54 VanDerWaalsContact CD-CD 3.45Å; K27-S56 PolarHBondContact NZ-OG 3Å; K27-S56 VanDerWaalsContact NZ-OG 3.15Å; K27-P118 CarbonylContact C-O 3.48Å; K27-P118 WeakPolarHBondContact CA-O 3.47Å | ||
| 28 | F | 96.6 | Very high | 92.6 | Very high | 8 Ų | 8 | 68.6 Ų | 68.6 | 4% | 0.035 | 36% | 0.361 | C | S | . | . | trans | -61.3 | 141.7 | 177.1 | -175.6 | -120.3 | 0 | 0 | 0 | 111 | L17 Q21 D30 R54 P118 I120 T135 D137 | L17-F28 HydrophobicContact CB-CE2 4.35Å; L17-F28 HydrophobicContact CD1-CE2 4.03Å; L17-F28 HydrophobicContact CD1-CZ 4Å; L17-F28 HydrophobicContact CD2-CE2 4.17Å; L17-F28 HydrophobicContact CG-CE2 4.42Å; Q21-F28 HydrophobicContact CG-CB 3.81Å; Q21-F28 HydrophobicContact CG-CD2 4Å; Q21-F28 HydrophobicContact CG-CG 4.36Å; F28-D30 HydrophobicContact CE1-CB 3.81Å; F28-D30 HydrophobicContact CZ-CB 4.22Å; F28-R54 PolarHBondContact O-NH1 2.88Å; F28-R54 PolarHBondContact O-NH2 3.33Å; F28-P118 WeakPolarHBondContact CB-O 3.47Å; F28-P118 PolarHBondContact N-O 2.72Å; F28-I120 HydrophobicContact CB-CB 3.71Å; F28-I120 HydrophobicContact CB-CD1 4.42Å; F28-I120 HydrophobicContact CB-CG1 4.31Å; F28-I120 HydrophobicContact CD1-CB 3.79Å; F28-I120 HydrophobicContact CD1-CD1 3.78Å; F28-I120 HydrophobicContact CD1-CG1 3.52Å; F28-I120 HydrophobicContact CD2-CD1 4.14Å; F28-I120 HydrophobicContact CE1-CD1 4.03Å; F28-I120 HydrophobicContact CE1-CG1 3.98Å; F28-I120 HydrophobicContact CE2-CD1 4.38Å; F28-I120 HydrophobicContact CG-CB 3.92Å; F28-I120 HydrophobicContact CG-CD1 3.85Å; F28-I120 HydrophobicContact CG-CG1 3.94Å; F28-I120 HydrophobicContact CZ-CD1 4.33Å; F28-T135 HydrophobicContact CE1-CG2 4.14Å; F28-T135 HydrophobicContact CZ-CG2 4.45Å; F28-D137 HydrophobicContact CD1-CB 3.66Å; F28-D137 HydrophobicContact CE1-CB 4.24Å; F28-D137 HydrophobicContact CG-CB 4.47Å; F28-D137 WeakPolarHBondContact O-CB 3.48Å | ||
| 29 | V | 95.8 | Very high | 92.3 | Very high | 68 Ų | 68 | 69.6 Ų | 69.6 | 41% | 0.412 | 37% | 0.368 | S | S | . | . | trans | -127.7 | 129.6 | 168.7 | 178.1 | 0 | 0 | 0 | 0 | 106 | D31 L34 D137 | V29-D31 PolarHBondContact O-N 3.32Å; V29-L34 HydrophobicContact CG1-CD2 4.46Å; V29-D137 WeakPolarHBondContact CA-OD2 3.49Å | ||
| 30 | D | 95.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 34% | 0.339 | C | S | . | . | trans | -90.4 | 89.8 | -174.1 | -173.2 | 6.7 | 0 | 0 | 0 | 110.5 | Q12 F28 E32 F33 L34 D137 K169 | Q12-D30 PolarHBondContact NE2-OD1 2.9Å; F28-D30 HydrophobicContact CE1-CB 3.81Å; F28-D30 HydrophobicContact CZ-CB 4.22Å; D30-E32 PolarHBondContact O-N 3.45Å; D30-E32 WeakPolarHBondContact OD1-CB 3.36Å; D30-E32 PolarHBondContact OD1-N 3.14Å; D30-F33 CarbonylContact O-C 3.59Å; D30-F33 PolarHBondContact O-N 2.95Å; D30-L34 PolarHBondContact O-N 3.07Å; D30-D137 HydrophobicContact CB-CB 4.06Å; D30-D137 WeakPolarHBondContact CB-OD2 3.24Å; D30-D137 PolarHBondContact N-OD2 2.82Å; D30-K169 IonicContact OD1-NZ 3.47Å; D30-K169 PolarHBondContact OD1-NZ 2.63Å; D30-K169 IonicContact OD2-NZ 3.67Å; D30-K169 PolarHBondContact OD2-NZ 2.85Å | ||
| 31 | D | 93.6 | Very high | 91.3 | Very high | 123 Ų | 123 | 67 Ų | 67 | 66% | 0.658 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -17.9 | 179.6 | -62 | -34.1 | 0 | 0 | 0 | 113.1 | V29 | V29-D31 PolarHBondContact O-N 3.32Š|
| 32 | E | 93.3 | Very high | 90.5 | Very high | 77 Ų | 77 | 70 Ų | 70 | 36% | 0.36 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -12.4 | 177.2 | -67.6 | -62.2 | 150 | 0 | 0 | 113.4 | R10 Q12 D30 | R10-E32 HydrophobicContact CB-CG 4.31Å; R10-E32 WeakPolarHBondContact CD-OE2 3.32Å; R10-E32 IonicContact CZ-OE2 2.91Å; R10-E32 PolarHBondContact NH1-O 2.95Å; R10-E32 IonicContact NH1-OE2 3.51Å; R10-E32 PolarHBondContact NH1-OE2 3.17Å; Q12-E32 HydrophobicContact CG-CG 4.28Å; D30-E32 PolarHBondContact O-N 3.45Å; D30-E32 WeakPolarHBondContact OD1-CB 3.36Å; D30-E32 PolarHBondContact OD1-N 3.14Å |
| 33 | F | 94.7 | Very high | 90 | Very high | 2 Ų | 2 | 65.5 Ų | 65.5 | 1% | 0.009 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -142.1 | 54.4 | 179.8 | -160.8 | -124 | 0 | 0 | 0 | 112.1 | D30 S37 M38 K165 A168 K169 Y174 | D30-F33 CarbonylContact O-C 3.59Å; D30-F33 PolarHBondContact O-N 2.95Å; F33-S37 VanDerWaalsContact C-OG 3.27Å; F33-S37 VanDerWaalsContact CA-OG 3.31Å; F33-S37 WeakPolarHBondContact CA-OG 3.49Å; F33-S37 WeakPolarHBondContact CD2-OG 3.41Å; F33-M38 HydrophobicContact CD1-CE 4.27Å; F33-M38 HydrophobicContact CD1-CG 4.19Å; F33-M38 HydrophobicContact CE1-CE 4.49Å; F33-M38 HydrophobicContact CE1-CG 3.82Å; F33-M38 HydrophobicContact CE1-SD 4.44Å; F33-M38 HydrophobicContact CE2-CG 4.33Å; F33-M38 HydrophobicContact CZ-CB 4.27Å; F33-M38 HydrophobicContact CZ-CG 3.89Å; F33-M38 VanDerWaalsContact O-CE 3.27Å; F33-M38 WeakPolarHBondContact O-CE 3.44Å; F33-K165 HydrophobicContact CD1-CG 4.28Å; F33-K165 HydrophobicContact CE1-CG 4.02Å; F33-A168 HydrophobicContact CE1-CB 4.5Å; F33-A168 HydrophobicContact CZ-CB 4.12Å; F33-K169 HydrophobicContact CB-CD 3.75Å; F33-K169 HydrophobicContact CB-CG 4.01Å; F33-K169 HydrophobicContact CD1-CB 3.8Å; F33-K169 HydrophobicContact CD1-CD 4.37Å; F33-K169 HydrophobicContact CD1-CG 4.24Å; F33-K169 HydrophobicContact CD2-CB 4.07Å; F33-K169 HydrophobicContact CD2-CG 4.05Å; F33-K169 HydrophobicContact CE1-CB 3.92Å; F33-K169 HydrophobicContact CE2-CB 4.21Å; F33-K169 HydrophobicContact CG-CB 3.87Å; F33-K169 HydrophobicContact CG-CD 4.05Å; F33-K169 HydrophobicContact CG-CG 3.85Å; F33-K169 HydrophobicContact CZ-CB 4.12Å; F33-Y174 HydrophobicContact CE1-CD2 4.46Å; F33-Y174 HydrophobicContact CE1-CE2 4.06Å; F33-Y174 HydrophobicContact CZ-CD2 4.2Å; F33-Y174 HydrophobicContact CZ-CE2 4.26Å |
| 34 | L | 91.6 | Very high | 89.4 | Confident | 66 Ų | 66 | 65.7 Ų | 65.7 | 35% | 0.346 | 35% | 0.354 | S | S | . | . | trans | -63.9 | 157.5 | 176.7 | -66.2 | 175.3 | 0 | 0 | 0 | 112.4 | V29 D30 E36 S37 M38 | V29-L34 HydrophobicContact CG1-CD2 4.46Å; D30-L34 PolarHBondContact O-N 3.07Å; L34-E36 WeakPolarHBondContact CB-OE2 3.19Å; L34-E36 PolarHBondContact O-N 2.96Å; L34-S37 PolarHBondContact N-OG 2.71Å; L34-S37 VanDerWaalsContact N-OG 3.11Å; L34-S37 WeakPolarHBondContact O-CA 3.35Å; L34-S37 WeakPolarHBondContact O-CB 3.48Å; L34-S37 PolarHBondContact O-N 3.49Å; L34-S37 PolarHBondContact O-OG 2.85Å; L34-M38 PolarHBondContact O-N 3.07Å | ||
| 35 | P | 86.5 | Confident | 88.9 | Confident | 42 Ų | 42 | 59 Ų | 59 | 27% | 0.273 | 33% | 0.331 | S | S | . | . | G | 310 helix | trans | -36.2 | -46.2 | 173.9 | -40.7 | 42.9 | 0 | 0 | 0 | 116.5 | S37 M38 Y52 | P35-S37 VanDerWaalsContact C-N 3.31Å; P35-S37 PolarHBondContact O-N 2.95Å; P35-M38 WeakPolarHBondContact O-CB 3.39Å; P35-M38 PolarHBondContact O-N 2.93Å; P35-Y52 HydrophobicContact CB-CD2 4.24Å; P35-Y52 HydrophobicContact CB-CE1 3.91Å; P35-Y52 HydrophobicContact CB-CE2 3.58Å; P35-Y52 WeakPolarHBondContact CB-OH 3.16Å; P35-Y52 HydrophobicContact CG-CD1 4.07Å; P35-Y52 HydrophobicContact CG-CD2 3.86Å; P35-Y52 HydrophobicContact CG-CE1 3.92Å; P35-Y52 HydrophobicContact CG-CE2 3.73Å; P35-Y52 HydrophobicContact CG-CG 4.04Å |
| 36 | E | 84.6 | Confident | 88.5 | Confident | 146 Ų | 146 | 58.7 Ų | 58.7 | 68% | 0.682 | 32% | 0.316 | S | S | * | . | G | 310 helix | trans | -68.6 | -31.7 | -177.1 | -55.8 | 77.1 | -166.4 | 0 | 0 | 112 | L34 M38 | L34-E36 WeakPolarHBondContact CB-OE2 3.19Å; L34-E36 PolarHBondContact O-N 2.96Å; E36-M38 VanDerWaalsContact C-N 3.33Å |
| 37 | S | 84.9 | Confident | 87.8 | Confident | 39 Ų | 39 | 60.9 Ų | 60.9 | 27% | 0.273 | 34% | 0.34 | S | S | . | . | G | 310 helix | trans | -82 | -10.1 | 178.5 | 71.5 | 0 | 0 | 0 | 0 | 113.8 | F33 L34 P35 N39 | F33-S37 VanDerWaalsContact C-OG 3.27Å; F33-S37 VanDerWaalsContact CA-OG 3.31Å; F33-S37 WeakPolarHBondContact CA-OG 3.49Å; F33-S37 WeakPolarHBondContact CD2-OG 3.41Å; L34-S37 PolarHBondContact N-OG 2.71Å; L34-S37 VanDerWaalsContact N-OG 3.11Å; L34-S37 WeakPolarHBondContact O-CA 3.35Å; L34-S37 WeakPolarHBondContact O-CB 3.48Å; L34-S37 PolarHBondContact O-N 3.49Å; L34-S37 PolarHBondContact O-OG 2.85Å; P35-S37 VanDerWaalsContact C-N 3.31Å; P35-S37 PolarHBondContact O-N 2.95Å; S37-N39 VanDerWaalsContact C-N 3.27Å; S37-N39 PolarHBondContact O-N 2.88Å |
| 38 | M | 89.4 | Confident | 87.1 | Confident | 2 Ų | 2 | 60.2 Ų | 60.2 | 1% | 0.01 | 35% | 0.349 | C | S | . | . | G | 310 helix | trans | -74 | -16.6 | 179 | -61.7 | -169.2 | -170.3 | 0 | 0 | 113.1 | F33 L34 P35 E36 L40 Y52 Y174 | F33-M38 HydrophobicContact CD1-CE 4.27Å; F33-M38 HydrophobicContact CD1-CG 4.19Å; F33-M38 HydrophobicContact CE1-CE 4.49Å; F33-M38 HydrophobicContact CE1-CG 3.82Å; F33-M38 HydrophobicContact CE1-SD 4.44Å; F33-M38 HydrophobicContact CE2-CG 4.33Å; F33-M38 HydrophobicContact CZ-CB 4.27Å; F33-M38 HydrophobicContact CZ-CG 3.89Å; F33-M38 VanDerWaalsContact O-CE 3.27Å; F33-M38 WeakPolarHBondContact O-CE 3.44Å; L34-M38 PolarHBondContact O-N 3.07Å; P35-M38 WeakPolarHBondContact O-CB 3.39Å; P35-M38 PolarHBondContact O-N 2.93Å; E36-M38 VanDerWaalsContact C-N 3.33Å; M38-L40 VanDerWaalsContact C-N 3.3Å; M38-L40 HydrophobicContact CB-CD1 4.2Å; M38-L40 HydrophobicContact CB-CD2 4.43Å; M38-L40 HydrophobicContact CB-CG 3.89Å; M38-L40 PolarHBondContact O-N 3.42Å; M38-L40 HydrophobicContact SD-CD1 4.42Å; M38-Y52 HydrophobicContact CE-CD1 4.28Å; M38-Y52 HydrophobicContact CE-CE1 4.16Å; M38-Y52 HydrophobicContact SD-CD1 4.28Å; M38-Y52 HydrophobicContact SD-CE1 3.69Å; M38-Y174 HydrophobicContact CB-CD2 4.01Å; M38-Y174 HydrophobicContact CB-CE2 4.4Å; M38-Y174 HydrophobicContact CG-CE2 4.46Å; M38-Y174 WeakPolarHBondContact O-CB 2.98Å; M38-Y174 PolarHBondContact O-N 3.2Å; M38-Y174 HydrophobicContact SD-CE2 4.18Å |
| 39 | N | 87.5 | Confident | 86.5 | Confident | 57 Ų | 57 | 65.6 Ų | 65.6 | 31% | 0.305 | 39% | 0.385 | S | S | . | . | trans | 54.2 | 35.9 | 177.7 | -60.2 | -33.2 | 0 | 0 | 0 | 115.2 | S37 Q41 D175 | S37-N39 VanDerWaalsContact C-N 3.27Å; S37-N39 PolarHBondContact O-N 2.88Å; N39-Q41 PolarHBondContact O-N 2.84Å; N39-Q41 VanDerWaalsContact O-N 3.15Å; N39-D175 HydrophobicContact CB-CB 4.15Å; N39-D175 VanDerWaalsContact CB-OD1 3.24Å; N39-D175 WeakPolarHBondContact CB-OD1 3.21Å; N39-D175 PolarHBondContact ND2-OD1 2.98Å | ||
| 40 | L | 87.2 | Confident | 86.3 | Confident | 8 Ų | 8 | 64.9 Ų | 64.9 | 4% | 0.042 | 38% | 0.378 | C | S | . | . | G | 310 helix | trans | -67.2 | -14.9 | -174.9 | -62.7 | 170.2 | 0 | 0 | 0 | 114.6 | M38 C42 L43 I45 L50 Y52 P141 I148 Y174 | M38-L40 VanDerWaalsContact C-N 3.3Å; M38-L40 HydrophobicContact CB-CD1 4.2Å; M38-L40 HydrophobicContact CB-CD2 4.43Å; M38-L40 HydrophobicContact CB-CG 3.89Å; M38-L40 PolarHBondContact O-N 3.42Å; M38-L40 HydrophobicContact SD-CD1 4.42Å; L40-C42 PolarHBondContact O-N 2.64Å; L40-C42 VanDerWaalsContact O-N 3.13Å; L40-L43 HydrophobicContact CD2-CD1 3.67Å; L40-L43 WeakPolarHBondContact O-CB 3.39Å; L40-L43 PolarHBondContact O-N 2.79Å; L40-I45 HydrophobicContact CB-CD1 4.05Å; L40-I45 WeakPolarHBondContact O-CD1 3.38Å; L40-L50 HydrophobicContact CB-CD1 4.02Å; L40-L50 HydrophobicContact CD1-CD1 3.84Å; L40-Y52 HydrophobicContact CD1-CE1 4.13Å; L40-P141 HydrophobicContact CD1-CB 3.57Å; L40-P141 HydrophobicContact CD1-CG 4.2Å; L40-P141 HydrophobicContact CD2-CG 4.45Å; L40-I148 HydrophobicContact CD2-CD1 4.5Å; L40-Y174 HydrophobicContact CD2-CD1 4.16Å; L40-Y174 HydrophobicContact CD2-CD2 3.72Å; L40-Y174 HydrophobicContact CD2-CE2 4.31Å; L40-Y174 HydrophobicContact CD2-CG 3.62Å |
| 41 | Q | 82 | Confident | 86.1 | Confident | 182 Ų | 182 | 66.8 Ų | 66.8 | 85% | 0.85 | 39% | 0.392 | S | S | * | . | G | 310 helix | trans | -58.7 | -26.7 | -178.3 | -65.3 | 155.3 | 4.3 | 0 | 0 | 112.7 | N39 L43 | N39-Q41 PolarHBondContact O-N 2.84Å; N39-Q41 VanDerWaalsContact O-N 3.15Å; Q41-L43 VanDerWaalsContact C-N 3.3Å; Q41-L43 PolarHBondContact O-N 2.76Å |
| 42 | C | 77.1 | Confident | 86.1 | Confident | 78 Ų | 78 | 63.4 Ų | 63.4 | 53% | 0.527 | 37% | 0.37 | S | S | . | . | G | 310 helix | trans | -76.6 | -14.1 | -179.8 | -57 | 0 | 0 | 0 | 0 | 113.6 | L40 N44 D175 | L40-C42 PolarHBondContact O-N 2.64Å; L40-C42 VanDerWaalsContact O-N 3.13Å; C42-N44 PolarHBondContact O-N 3.02Å; C42-D175 HydrophobicContact CB-CB 4.01Å |
| 43 | L | 82 | Confident | 86.2 | Confident | 3 Ų | 3 | 61.9 Ų | 61.9 | 2% | 0.016 | 36% | 0.364 | C | S | . | . | G | 310 helix | trans | -81.6 | 9.1 | -172.3 | -58.1 | -176.4 | 0 | 0 | 0 | 114.1 | L40 Q41 I45 V78 E178 | L40-L43 HydrophobicContact CD2-CD1 3.67Å; L40-L43 WeakPolarHBondContact O-CB 3.39Å; L40-L43 PolarHBondContact O-N 2.79Å; Q41-L43 VanDerWaalsContact C-N 3.3Å; Q41-L43 PolarHBondContact O-N 2.76Å; L43-I45 HydrophobicContact CB-CD1 4.08Å; L43-I45 HydrophobicContact CB-CG1 3.93Å; L43-I45 HydrophobicContact CD1-CD1 4.46Å; L43-I45 PolarHBondContact O-N 2.84Å; L43-I45 VanDerWaalsContact O-N 3.16Å; L43-V78 HydrophobicContact CD1-CG2 4.22Å; L43-V78 HydrophobicContact CD2-CG2 4.22Å; L43-E178 HydrophobicContact CD2-CG 4Å; L43-E178 WeakPolarHBondContact CD2-OE1 3.32Å |
| 44 | N | 82.1 | Confident | 86.3 | Confident | 118 Ų | 118 | 62.6 Ų | 62.6 | 63% | 0.631 | 37% | 0.367 | S | S | * | . | trans | 50.5 | 36.6 | -177.3 | -61.2 | -67.7 | 0 | 0 | 0 | 113.5 | C42 K79 | C42-N44 PolarHBondContact O-N 3.02Å; N44-K79 PolarHBondContact ND2-NZ 2.86Å | ||
| 45 | I | 82.7 | Confident | 86.4 | Confident | 32 Ų | 32 | 59.4 Ų | 59.4 | 16% | 0.164 | 35% | 0.35 | C | S | . | . | trans | -63.8 | 135.7 | 177 | -58.4 | 159.4 | 0 | 0 | 0 | 108 | L40 L43 L50 F77 Y143 I148 | L40-I45 HydrophobicContact CB-CD1 4.05Å; L40-I45 WeakPolarHBondContact O-CD1 3.38Å; L43-I45 HydrophobicContact CB-CD1 4.08Å; L43-I45 HydrophobicContact CB-CG1 3.93Å; L43-I45 HydrophobicContact CD1-CD1 4.46Å; L43-I45 PolarHBondContact O-N 2.84Å; L43-I45 VanDerWaalsContact O-N 3.16Å; I45-L50 HydrophobicContact CD1-CD1 4Å; I45-L50 HydrophobicContact CD1-CD2 4.2Å; I45-L50 HydrophobicContact CG2-CD2 4.16Å; I45-F77 HydrophobicContact CB-CD1 4.27Å; I45-F77 HydrophobicContact CB-CE1 4.37Å; I45-F77 HydrophobicContact CG1-CD1 3.69Å; I45-F77 HydrophobicContact CG1-CE1 4.25Å; I45-F77 HydrophobicContact CG1-CG 4.32Å; I45-F77 HydrophobicContact CG2-CD1 4.4Å; I45-F77 HydrophobicContact CG2-CE1 4.13Å; I45-Y143 HydrophobicContact CG2-CD2 3.83Å; I45-Y143 HydrophobicContact CG2-CE2 4.45Å; I45-Y143 HydrophobicContact CG2-CG 4.22Å; I45-I148 HydrophobicContact CD1-CD1 3.52Å; I45-I148 HydrophobicContact CG1-CD1 4.24Å | ||
| 46 | P | 82.9 | Confident | 86.8 | Confident | 64 Ų | 64 | 58.3 Ų | 58.3 | 42% | 0.416 | 34% | 0.343 | S | S | . | . | trans | -49 | 148.2 | 175.2 | -29 | 33.6 | 0 | 0 | 0 | 112.6 | G48 Y143 | P46-G48 PolarHBondContact O-N 2.89Å; P46-Y143 HydrophobicContact CB-CE1 4.33Å; P46-Y143 HydrophobicContact CB-CE2 4.17Å; P46-Y143 HydrophobicContact CG-CE1 4.5Å; P46-Y143 WeakPolarHBondContact O-CE2 3.13Å | ||
| 47 | A | 78.6 | Confident | 87.2 | Confident | 108 Ų | 108 | 56.7 Ų | 56.7 | 89% | 0.893 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -61.9 | 113.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 48 | G | 80.1 | Confident | 87.6 | Confident | 41 Ų | 41 | 57.1 Ų | 57.1 | 42% | 0.423 | 34% | 0.335 | S | S | . | . | S | Bend | trans | 174.3 | 162 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | P46 L50 | P46-G48 PolarHBondContact O-N 2.89Å; G48-L50 PolarHBondContact O-N 2.8Å |
| 49 | P | 84.7 | Confident | 87.7 | Confident | 122 Ų | 122 | 58.5 Ų | 58.5 | 79% | 0.792 | 34% | 0.343 | S | S | * | . | trans | -68.7 | 129.6 | 178.3 | 28.6 | -32.9 | 0 | 0 | 0 | 110.3 | ||||
| 50 | L | 90.2 | Very high | 87.9 | Confident | 53 Ų | 53 | 60.7 Ų | 60.7 | 28% | 0.277 | 36% | 0.363 | S | S | . | . | trans | -75.4 | 137 | 166.3 | -73.2 | 172.6 | 0 | 0 | 0 | 109.6 | L40 I45 G48 Y52 C142 I148 | L40-L50 HydrophobicContact CB-CD1 4.02Å; L40-L50 HydrophobicContact CD1-CD1 3.84Å; I45-L50 HydrophobicContact CD1-CD1 4Å; I45-L50 HydrophobicContact CD1-CD2 4.2Å; I45-L50 HydrophobicContact CG2-CD2 4.16Å; G48-L50 PolarHBondContact O-N 2.8Å; L50-Y52 HydrophobicContact CB-CE2 4.48Å; L50-C142 WeakPolarHBondContact CD2-O 3.09Å; L50-I148 HydrophobicContact CD2-CD1 4.18Å | ||
| 51 | S | 92.7 | Very high | 88.1 | Confident | 40 Ų | 40 | 63 Ų | 63 | 28% | 0.28 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 157.8 | 166.8 | 61 | 0 | 0 | 0 | 0 | 109.9 | C142 | S51-C142 PolarHBondContact N-O 2.97Å; S51-C142 PolarHBondContact O-N 2.84Å; S51-C142 WeakPolarHBondContact OG-CB 3.36Å |
| 52 | Y | 94.5 | Very high | 88.7 | Confident | 52 Ų | 52 | 54.7 Ų | 54.7 | 20% | 0.204 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 107 | 176.4 | -62.7 | -92 | 0 | 0 | 0 | 106.7 | P35 M38 L40 L50 M139 L140 P141 | P35-Y52 HydrophobicContact CB-CD2 4.24Å; P35-Y52 HydrophobicContact CB-CE1 3.91Å; P35-Y52 HydrophobicContact CB-CE2 3.58Å; P35-Y52 WeakPolarHBondContact CB-OH 3.16Å; P35-Y52 HydrophobicContact CG-CD1 4.07Å; P35-Y52 HydrophobicContact CG-CD2 3.86Å; P35-Y52 HydrophobicContact CG-CE1 3.92Å; P35-Y52 HydrophobicContact CG-CE2 3.73Å; P35-Y52 HydrophobicContact CG-CG 4.04Å; M38-Y52 HydrophobicContact CE-CD1 4.28Å; M38-Y52 HydrophobicContact CE-CE1 4.16Å; M38-Y52 HydrophobicContact SD-CD1 4.28Å; M38-Y52 HydrophobicContact SD-CE1 3.69Å; L40-Y52 HydrophobicContact CD1-CE1 4.13Å; L50-Y52 HydrophobicContact CB-CE2 4.48Å; Y52-M139 WeakPolarHBondContact O-CE 3.28Å; Y52-L140 WeakPolarHBondContact CA-O 3.15Å; Y52-P141 HydrophobicContact CD1-CB 4.35Å; Y52-P141 HydrophobicContact CE1-CB 4.11Å |
| 53 | L | 95.3 | Very high | 89.5 | Confident | 44 Ų | 44 | 52 Ų | 52 | 23% | 0.23 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 145 | -172.3 | -58.8 | 178.4 | 0 | 0 | 0 | 110.1 | E57 I58 L140 C142 | L53-E57 WeakPolarHBondContact CA-OE2 3.47Å; L53-E57 HydrophobicContact CB-CB 4.43Å; L53-I58 HydrophobicContact CB-CD1 4.21Å; L53-I58 HydrophobicContact CB-CG1 3.86Å; L53-I58 HydrophobicContact CD1-CG1 4.3Å; L53-L140 PolarHBondContact N-O 2.73Å; L53-L140 PolarHBondContact O-N 2.93Å; L53-C142 HydrophobicContact CD1-CB 4.11Å; L53-C142 HydrophobicContact CG-CB 4.27Å |
| 54 | R | 95.1 | Very high | 90.1 | Very high | 17 Ų | 17 | 51.9 Ų | 51.9 | 6% | 0.064 | 32% | 0.318 | C | S | . | . | trans | -80.7 | 153.3 | 172.3 | -57.7 | -171.7 | -175.7 | -101.1 | -0.6 | 110.2 | K27 F28 S56 E57 I58 D138 M139 | K27-R54 VanDerWaalsContact CD-CD 3.45Å; F28-R54 PolarHBondContact O-NH1 2.88Å; F28-R54 PolarHBondContact O-NH2 3.33Å; R54-S56 PolarHBondContact O-N 3.21Å; R54-S56 VanDerWaalsContact O-N 3.1Å; R54-E57 HydrophobicContact CB-CG 4.29Å; R54-E57 PolarHBondContact N-OE2 3.15Å; R54-E57 WeakPolarHBondContact O-CA 3.25Å; R54-E57 WeakPolarHBondContact O-CB 3.13Å; R54-E57 PolarHBondContact O-N 2.98Å; R54-I58 WeakPolarHBondContact O-CG1 3.34Å; R54-I58 PolarHBondContact O-N 2.85Å; R54-D138 VanDerWaalsContact CD-OD1 3.27Å; R54-D138 WeakPolarHBondContact CD-OD1 3.36Å; R54-D138 WeakPolarHBondContact CG-OD1 3.29Å; R54-D138 IonicContact CZ-OD1 3.15Å; R54-D138 IonicContact NE-OD1 3.64Å; R54-D138 IonicContact NH1-OD1 2.76Å; R54-D138 PolarHBondContact NH1-OD1 2.77Å; R54-M139 HydrophobicContact CG-CG 4.34Å; R54-M139 HydrophobicContact CG-SD 3.44Å; R54-M139 WeakPolarHBondContact CG-SD 3.33Å; R54-M139 PolarHBondContact NE-SD 2.99Å; R54-M139 VanDerWaalsContact NE-SD 3.43Å | ||
| 55 | P | 95.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -47.7 | -40 | 172.8 | -34.4 | 38.6 | 0 | 0 | 0 | 114.1 | E57 I58 V59 P62 W109 D138 L140 F158 | P55-E57 PolarHBondContact O-N 3.28Å; P55-I58 PolarHBondContact O-N 3.25Å; P55-V59 PolarHBondContact O-N 3.44Å; P55-P62 HydrophobicContact CB-CB 3.65Å; P55-P62 HydrophobicContact CB-CG 4.25Å; P55-W109 HydrophobicContact CB-CH2 3.75Å; P55-W109 HydrophobicContact CB-CZ2 3.57Å; P55-W109 HydrophobicContact CG-CH2 3.68Å; P55-W109 HydrophobicContact CG-CZ2 3.62Å; P55-D138 WeakPolarHBondContact CD-O 3.31Å; P55-D138 HydrophobicContact CG-CB 4.28Å; P55-L140 HydrophobicContact CG-CD1 4.2Å; P55-F158 HydrophobicContact CB-CD1 3.94Å; P55-F158 HydrophobicContact CB-CD2 3.74Å; P55-F158 HydrophobicContact CB-CE1 3.97Å; P55-F158 HydrophobicContact CB-CE2 3.79Å; P55-F158 HydrophobicContact CB-CG 3.82Å; P55-F158 HydrophobicContact CB-CZ 3.9Å; P55-F158 HydrophobicContact CG-CB 4.28Å; P55-F158 HydrophobicContact CG-CD1 3.78Å; P55-F158 HydrophobicContact CG-CD2 4.29Å; P55-F158 HydrophobicContact CG-CE1 4.15Å; P55-F158 HydrophobicContact CG-CG 3.85Å |
| 56 | S | 93.6 | Very high | 90.4 | Very high | 19 Ų | 19 | 49.2 Ų | 49.2 | 13% | 0.133 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -68.2 | -16.3 | 177.6 | 62.9 | 0 | 0 | 0 | 0 | 114.8 | K27 R54 V59 | K27-S56 PolarHBondContact NZ-OG 3Å; K27-S56 VanDerWaalsContact NZ-OG 3.15Å; R54-S56 PolarHBondContact O-N 3.21Å; R54-S56 VanDerWaalsContact O-N 3.1Å; S56-V59 CarbonylContact C-O 3.39Å; S56-V59 WeakPolarHBondContact CA-O 3.3Å |
| 57 | E | 93.7 | Very high | 89.9 | Confident | 111 Ų | 111 | 54.5 Ų | 54.5 | 52% | 0.519 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -94.5 | -22.4 | 176.3 | -61.8 | 168 | 161.9 | 0 | 0 | 111.2 | L53 R54 P55 | L53-E57 WeakPolarHBondContact CA-OE2 3.47Å; L53-E57 HydrophobicContact CB-CB 4.43Å; R54-E57 HydrophobicContact CB-CG 4.29Å; R54-E57 PolarHBondContact N-OE2 3.15Å; R54-E57 WeakPolarHBondContact O-CA 3.25Å; R54-E57 WeakPolarHBondContact O-CB 3.13Å; R54-E57 PolarHBondContact O-N 2.98Å; P55-E57 PolarHBondContact O-N 3.28Å |
| 58 | I | 92.7 | Very high | 89.5 | Confident | 49 Ų | 49 | 54 Ų | 54 | 25% | 0.251 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -84.9 | -42.8 | 177.1 | -57.8 | 167.2 | 0 | 0 | 0 | 110.3 | L53 R54 P55 C147 F158 | L53-I58 HydrophobicContact CB-CD1 4.21Å; L53-I58 HydrophobicContact CB-CG1 3.86Å; L53-I58 HydrophobicContact CD1-CG1 4.3Å; R54-I58 WeakPolarHBondContact O-CG1 3.34Å; R54-I58 PolarHBondContact O-N 2.85Å; P55-I58 PolarHBondContact O-N 3.25Å; I58-C147 HydrophobicContact CD1-CB 4.34Å; I58-F158 HydrophobicContact CB-CZ 4.38Å; I58-F158 HydrophobicContact CD1-CE1 4.07Å; I58-F158 HydrophobicContact CG2-CZ 4.43Å |
| 59 | V | 91.9 | Very high | 88.7 | Confident | 31 Ų | 31 | 56.6 Ų | 56.6 | 19% | 0.188 | 32% | 0.316 | C | S | . | . | trans | -136 | 151.4 | 177.3 | -60.8 | 0 | 0 | 0 | 0 | 111.2 | P55 S56 D61 P62 F158 | P55-V59 PolarHBondContact O-N 3.44Å; S56-V59 CarbonylContact C-O 3.39Å; S56-V59 WeakPolarHBondContact CA-O 3.3Å; V59-D61 PolarHBondContact O-N 3.09Å; V59-P62 HydrophobicContact CG2-CB 3.88Å; V59-F158 HydrophobicContact CG2-CE2 3.59Å; V59-F158 HydrophobicContact CG2-CZ 3.87Å | ||
| 60 | S | 90.8 | Very high | 87.7 | Confident | 103 Ų | 103 | 57 Ų | 57 | 72% | 0.72 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -69.6 | -30.2 | -177.2 | 50.7 | 0 | 0 | 0 | 0 | 114.5 | ||
| 61 | D | 92.7 | Very high | 87 | Confident | 57 Ų | 57 | 55.3 Ų | 55.3 | 31% | 0.305 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -132.8 | 68.4 | -175.3 | 62.9 | -38.9 | 0 | 0 | 0 | 111.1 | V59 K156 | V59-D61 PolarHBondContact O-N 3.09Å; D61-K156 WeakPolarHBondContact OD1-CD 3.48Å; D61-K156 WeakPolarHBondContact OD1-CE 3.15Å; D61-K156 IonicContact OD1-NZ 3.69Å; D61-K156 PolarHBondContact OD1-NZ 3.48Å; D61-K156 WeakPolarHBondContact OD2-CD 2.93Å; D61-K156 WeakPolarHBondContact OD2-CE 3.25Å; D61-K156 IonicContact OD2-NZ 2.66Å; D61-K156 PolarHBondContact OD2-NZ 2.95Å |
| 62 | P | 94.7 | Very high | 86.3 | Confident | 7 Ų | 7 | 54 Ų | 54 | 5% | 0.045 | 28% | 0.283 | C | S | . | . | trans | -66.8 | 151.7 | 177.7 | 32 | -36.4 | 0 | 0 | 0 | 110.8 | P55 V59 W109 V114 F158 | P55-P62 HydrophobicContact CB-CB 3.65Å; P55-P62 HydrophobicContact CB-CG 4.25Å; V59-P62 HydrophobicContact CG2-CB 3.88Å; P62-W109 HydrophobicContact CB-CD2 4.14Å; P62-W109 HydrophobicContact CB-CE3 4.21Å; P62-W109 HydrophobicContact CB-CH2 4.49Å; P62-W109 HydrophobicContact CB-CZ2 4.44Å; P62-W109 HydrophobicContact CB-CZ3 4.37Å; P62-W109 HydrophobicContact CG-CD2 3.9Å; P62-W109 HydrophobicContact CG-CE3 4.45Å; P62-W109 HydrophobicContact CG-CG 3.97Å; P62-V114 HydrophobicContact CG-CG1 3.83Å; P62-F158 HydrophobicContact CB-CD2 3.96Å; P62-F158 HydrophobicContact CB-CE2 3.8Å | ||
| 63 | C | 94.2 | Very high | 85.8 | Confident | 22 Ų | 22 | 51.5 Ų | 51.5 | 15% | 0.149 | 27% | 0.274 | C | S | . | . | B | Isolated β-bridge | trans | -134.7 | 149.2 | 170.3 | 66.5 | 0 | 0 | 0 | 0 | 110.5 | E108 K156 E157 F158 | C63-E108 VanDerWaalsContact CA-OE1 3.25Å; C63-E108 WeakPolarHBondContact CA-OE1 3.41Å; C63-K156 PolarHBondContact N-O 2.91Å; C63-K156 PolarHBondContact SG-O 2.94Å; C63-E157 WeakPolarHBondContact O-CA 3.35Å; C63-F158 PolarHBondContact O-N 3.47Å |
| 64 | F | 94.1 | Very high | 85.3 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -76.1 | -60.3 | -178.9 | -178.9 | -142.3 | 0 | 0 | 0 | 109.5 | L101 I104 Q107 E108 W109 F121 F123 W159 L162 | F64-L101 HydrophobicContact CE1-CD2 4.19Å; F64-L101 HydrophobicContact CE2-CD2 4.3Å; F64-L101 HydrophobicContact CZ-CD2 3.76Å; F64-L101 HydrophobicContact CZ-CG 4.35Å; F64-I104 HydrophobicContact CD1-CB 4.43Å; F64-I104 HydrophobicContact CD1-CG2 3.85Å; F64-I104 HydrophobicContact CE1-CB 4.46Å; F64-I104 HydrophobicContact CE1-CG1 4.23Å; F64-I104 HydrophobicContact CE1-CG2 4.31Å; F64-Q107 HydrophobicContact CD1-CB 4.01Å; F64-Q107 HydrophobicContact CE1-CB 4.07Å; F64-E108 WeakPolarHBondContact CB-OE2 3.45Å; F64-E108 VanDerWaalsContact N-CD 3.27Å; F64-E108 PolarHBondContact N-OE1 3.02Å; F64-E108 PolarHBondContact N-OE2 3.48Å; F64-W109 HydrophobicContact CB-CE3 4.21Å; F64-W109 HydrophobicContact CB-CZ3 3.9Å; F64-F121 HydrophobicContact CB-CE1 4.28Å; F64-F121 HydrophobicContact CD1-CE1 4.38Å; F64-F121 HydrophobicContact CD2-CD1 4Å; F64-F121 AromaticContact CD2-CE1 3.75Å; F64-F121 HydrophobicContact CD2-CE1 3.75Å; F64-F121 HydrophobicContact CE1-CD1 4.48Å; F64-F121 AromaticContact CE2-CD1 3.9Å; F64-F121 HydrophobicContact CE2-CD1 3.9Å; F64-F121 HydrophobicContact CE2-CE1 4.14Å; F64-F121 HydrophobicContact CG-CD1 4.36Å; F64-F121 AromaticContact CG-CE1 3.9Å; F64-F121 HydrophobicContact CG-CE1 3.9Å; F64-F121 HydrophobicContact CZ-CD1 4.14Å; F64-F123 AromaticContact CE2-CE1 3.98Å; F64-F123 HydrophobicContact CE2-CE1 3.98Å; F64-F123 AromaticContact CE2-CZ 3.7Å; F64-F123 HydrophobicContact CE2-CZ 3.7Å; F64-F123 AromaticContact CZ-CE1 3.7Å; F64-F123 HydrophobicContact CZ-CE1 3.7Å; F64-F123 AromaticContact CZ-CZ 3.73Å; F64-F123 HydrophobicContact CZ-CZ 3.73Å; F64-W159 HydrophobicContact CD2-CB 4.09Å; F64-W159 HydrophobicContact CE2-CB 3.95Å; F64-W159 VanDerWaalsContact O-CB 3.22Å; F64-W159 WeakPolarHBondContact O-CB 3.26Å; F64-W159 PolarHBondContact O-N 3.25Å; F64-L162 HydrophobicContact CD2-CD1 3.79Å; F64-L162 HydrophobicContact CE2-CB 4.48Å; F64-L162 HydrophobicContact CE2-CD1 3.92Å |
| 65 | S | 90 | Very high | 84.9 | Confident | 17 Ų | 17 | 54.8 Ų | 54.8 | 12% | 0.119 | 29% | 0.285 | C | S | . | . | trans | -142.1 | 131.1 | 173.9 | -178.5 | 0 | 0 | 0 | 0 | 110.9 | K91 E108 E157 | S65-K91 PolarHBondContact OG-NZ 2.84Å; S65-E108 PolarHBondContact N-OE2 3Å; S65-E157 WeakPolarHBondContact CA-OE1 3.41Å | ||
| 66 | R | 81 | Confident | 84.5 | Confident | 76 Ų | 76 | 55.6 Ų | 55.6 | 29% | 0.287 | 29% | 0.294 | S | S | . | . | trans | -78.1 | 149.8 | 169.6 | -62.8 | -167.1 | 174.2 | -167.9 | -3.8 | 110.7 | E68 S154 E157 | R66-E68 HydrophobicContact CB-CG 4.08Å; R66-E68 WeakPolarHBondContact CD-OE1 3.47Å; R66-E68 IonicContact CZ-OE1 3.2Å; R66-E68 IonicContact NE-OE1 2.85Å; R66-E68 IonicContact NH1-OE1 2.98Å; R66-E68 PolarHBondContact NH1-OE1 2.96Å; R66-E68 PolarHBondContact O-N 2.82Å; R66-S154 PolarHBondContact NE-OG 3.29Å; R66-S154 PolarHBondContact NH2-OG 3.21Å; R66-E157 HydrophobicContact CG-CB 4.5Å; R66-E157 PolarHBondContact N-OE1 2.82Å | ||
| 67 | N | 73.3 | Confident | 84.3 | Confident | 176 Ų | 176 | 58 Ų | 58 | 94% | 0.941 | 30% | 0.302 | S | S | * | . | trans | -91.7 | 49.3 | 173.4 | -165 | 30.4 | 0 | 0 | 0 | 110.9 | ||||
| 68 | E | 69.2 | Low | 84.1 | Confident | 97 Ų | 97 | 53.1 Ų | 53.1 | 45% | 0.453 | 28% | 0.279 | S | S | . | . | trans | -95 | 140.1 | 178 | -69.2 | 175.9 | -163 | 0 | 0 | 109.6 | R66 Y70 | R66-E68 HydrophobicContact CB-CG 4.08Å; R66-E68 WeakPolarHBondContact CD-OE1 3.47Å; R66-E68 IonicContact CZ-OE1 3.2Å; R66-E68 IonicContact NE-OE1 2.85Å; R66-E68 IonicContact NH1-OE1 2.98Å; R66-E68 PolarHBondContact NH1-OE1 2.96Å; R66-E68 PolarHBondContact O-N 2.82Å; E68-Y70 WeakPolarHBondContact CB-O 3.43Å; E68-Y70 PolarHBondContact O-N 3.43Å | ||
| 69 | S | 63.2 | Low | 83.7 | Confident | 96 Ų | 96 | 53.6 Ų | 53.6 | 67% | 0.671 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -68 | -25.5 | 174.1 | 50.3 | 0 | 0 | 0 | 0 | 112.2 | ||
| 70 | Y | 64.4 | Low | 83.5 | Confident | 129 Ų | 129 | 52.3 Ų | 52.3 | 51% | 0.506 | 27% | 0.272 | S | S | . | . | trans | -112.8 | 133.5 | -178.7 | -52.8 | -65.3 | 0 | 0 | 0 | 109.2 | E68 D351 | E68-Y70 WeakPolarHBondContact CB-O 3.43Å; E68-Y70 PolarHBondContact O-N 3.43Å; Y70-D351 HydrophobicContact CE1-CB 4.22Å; Y70-D351 WeakPolarHBondContact CE1-O 3.49Å; Y70-D351 VanDerWaalsContact CZ-O 3.26Å; Y70-D351 PolarHBondContact OH-O 3.4Å | ||
| 71 | F | 74.6 | Confident | 83.4 | Confident | 18 Ų | 18 | 47.8 Ų | 47.8 | 8% | 0.079 | 24% | 0.239 | C | C | . | . | trans | -143.6 | 156.4 | 174 | 69.5 | -79.6 | 0 | 0 | 0 | 107.1 | L73 T88 K91 Y92 W159 R309 | F71-L73 HydrophobicContact CD2-CD2 4.47Å; F71-L73 HydrophobicContact CD2-CG 4.42Å; F71-T88 HydrophobicContact CE2-CG2 4.13Å; F71-T88 HydrophobicContact CZ-CG2 4.04Å; F71-K91 HydrophobicContact CD1-CG 3.6Å; F71-K91 HydrophobicContact CD2-CG 4.08Å; F71-K91 HydrophobicContact CE1-CB 3.83Å; F71-K91 HydrophobicContact CE1-CG 3.29Å; F71-K91 HydrophobicContact CE2-CB 3.85Å; F71-K91 HydrophobicContact CE2-CG 3.8Å; F71-K91 HydrophobicContact CG-CG 4Å; F71-K91 HydrophobicContact CZ-CB 3.44Å; F71-K91 VanDerWaalsContact CZ-CB 3.44Å; F71-K91 HydrophobicContact CZ-CG 3.4Å; F71-K91 VanDerWaalsContact CZ-CG 3.4Å; F71-Y92 AromaticContact CE1-CD2 4Å; F71-Y92 HydrophobicContact CE1-CD2 4Å; F71-Y92 AromaticContact CE1-CE2 3.92Å; F71-Y92 HydrophobicContact CE1-CE2 3.92Å; F71-Y92 AromaticContact CZ-CD2 3.88Å; F71-Y92 HydrophobicContact CZ-CD2 3.88Å; F71-Y92 AromaticContact CZ-CE2 3.96Å; F71-Y92 HydrophobicContact CZ-CE2 3.96Å; F71-W159 HydrophobicContact CD2-CZ2 4.32Å; F71-R309 PolarHBondContact O-NH2 3.06Å | ||
| 72 | S | 77.5 | Confident | 83.3 | Confident | 12 Ų | 12 | 45.7 Ų | 45.7 | 8% | 0.084 | 23% | 0.228 | C | C | . | . | trans | -141.4 | 152.7 | 164.7 | 66.3 | 0 | 0 | 0 | 0 | 108.2 | S152 S153 S313 | S72-S152 CarbonylContact O-C 3.58Å; S72-S152 WeakPolarHBondContact O-CA 3.43Å; S72-S153 PolarHBondContact N-OG 3.22Å; S72-S153 PolarHBondContact O-N 3.43Å; S72-S153 PolarHBondContact O-OG 3.17Å; S72-S153 WeakPolarHBondContact OG-CB 3.48Å; S72-S153 PolarHBondContact OG-OG 3.11Å; S72-S313 WeakPolarHBondContact OG-CB 3.19Å; S72-S313 PolarHBondContact OG-OG 2.91Å | ||
| 73 | L | 85.3 | Confident | 83.3 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 141.6 | -180 | -61.2 | -175.1 | 0 | 0 | 0 | 110 | F71 L84 F87 S151 W159 P160 | F71-L73 HydrophobicContact CD2-CD2 4.47Å; F71-L73 HydrophobicContact CD2-CG 4.42Å; L73-L84 HydrophobicContact CB-CD1 4.15Å; L73-L84 HydrophobicContact CB-CD2 4.06Å; L73-L84 HydrophobicContact CB-CG 3.88Å; L73-L84 HydrophobicContact CD1-CD2 4.45Å; L73-L84 HydrophobicContact CD1-CG 4.24Å; L73-F87 HydrophobicContact CD1-CB 3.91Å; L73-S151 CarbonylContact C-O 3.59Å; L73-S151 WeakPolarHBondContact CA-O 3.42Å; L73-W159 HydrophobicContact CD1-CH2 4.01Å; L73-W159 HydrophobicContact CD2-CH2 4.04Å; L73-W159 HydrophobicContact CD2-CZ2 3.78Å; L73-P160 HydrophobicContact CD2-CB 3.9Å; L73-P160 HydrophobicContact CD2-CG 3.5Å |
| 74 | K | 84.9 | Confident | 83.1 | Confident | 68 Ų | 68 | 44.6 Ų | 44.6 | 30% | 0.296 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 129.8 | 170.8 | -64.2 | -178.9 | 178.9 | -176 | 0 | 108 | S151 | K74-S151 WeakPolarHBondContact CB-OG 3.36Å; K74-S151 PolarHBondContact N-O 2.83Å; K74-S151 PolarHBondContact O-N 3.08Å |
| 75 | R | 85.4 | Confident | 83 | Confident | 62 Ų | 62 | 44.7 Ų | 44.7 | 23% | 0.234 | 22% | 0.22 | C | C | . | . | trans | -63.5 | 137.6 | 177.2 | 179.6 | 170.4 | 159.8 | -163.3 | -19.5 | 110.4 | V78 K79 L84 D256 H257 L312 | R75-V78 PolarHBondContact NE-O 3.48Å; R75-K79 PolarHBondContact NE-O 3.49Å; R75-K79 PolarHBondContact NH1-O 2.78Å; R75-K79 PolarHBondContact NH2-O 2.76Å; R75-L84 HydrophobicContact CB-CD1 3.97Å; R75-D256 IonicContact NH2-OD1 3.24Å; R75-H257 PolarHBondContact NH1-NE2 3.29Å; R75-H257 VanDerWaalsContact NH1-NE2 3.17Å; R75-L312 HydrophobicContact CB-CD2 4.02Å | ||
| 76 | G | 87.4 | Confident | 83.2 | Confident | 18 Ų | 18 | 43.9 Ų | 43.9 | 19% | 0.186 | 22% | 0.215 | C | C | . | . | trans | -87.8 | -150 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | I148 | G76-I148 CarbonylContact C-O 3.52Å; G76-I148 WeakPolarHBondContact CA-O 3.43Å | ||
| 77 | F | 89.3 | Confident | 83.8 | Confident | 70 Ų | 70 | 40.3 Ų | 40.3 | 31% | 0.307 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -84.5 | -21.6 | 179.6 | -84 | -110 | 0 | 0 | 0 | 113.8 | I45 K79 I148 | I45-F77 HydrophobicContact CB-CD1 4.27Å; I45-F77 HydrophobicContact CB-CE1 4.37Å; I45-F77 HydrophobicContact CG1-CD1 3.69Å; I45-F77 HydrophobicContact CG1-CE1 4.25Å; I45-F77 HydrophobicContact CG1-CG 4.32Å; I45-F77 HydrophobicContact CG2-CD1 4.4Å; I45-F77 HydrophobicContact CG2-CE1 4.13Å; F77-K79 PolarHBondContact O-N 3.4Å; F77-I148 HydrophobicContact CB-CB 4.24Å; F77-I148 HydrophobicContact CD2-CB 3.37Å; F77-I148 HydrophobicContact CD2-CG2 3.61Å; F77-I148 HydrophobicContact CE2-CB 3.88Å; F77-I148 HydrophobicContact CE2-CG2 3.55Å; F77-I148 HydrophobicContact CG-CB 3.94Å; F77-I148 HydrophobicContact CG-CG2 4.3Å; F77-I148 HydrophobicContact CZ-CG2 4.24Å; F77-I148 PolarHBondContact N-O 2.77Å |
| 78 | V | 88.9 | Confident | 84.6 | Confident | 7 Ų | 7 | 32 Ų | 32 | 4% | 0.042 | 16% | 0.157 | C | C | . | . | trans | -60.9 | 123.4 | 168.6 | 179.3 | 0 | 0 | 0 | 0 | 108.2 | L43 R75 N80 Y174 L177 E178 | L43-V78 HydrophobicContact CD1-CG2 4.22Å; L43-V78 HydrophobicContact CD2-CG2 4.22Å; R75-V78 PolarHBondContact NE-O 3.48Å; V78-N80 HydrophobicContact CG1-CB 4.43Å; V78-Y174 HydrophobicContact CG2-CD1 3.94Å; V78-L177 HydrophobicContact CG1-CB 3.84Å; V78-L177 HydrophobicContact CG2-CD1 4.22Å; V78-E178 WeakPolarHBondContact CA-OE1 3.34Å; V78-E178 HydrophobicContact CG1-CG 4.48Å | ||
| 79 | K | 85.6 | Confident | 85.6 | Confident | 60 Ų | 60 | 27.4 Ų | 27.4 | 26% | 0.261 | 14% | 0.136 | S | C | . | . | trans | -81.5 | -32.1 | -173.1 | -58.2 | -171.9 | -177.5 | -179.7 | 0 | 113.2 | N44 R75 F77 F81 E178 L254 | N44-K79 PolarHBondContact ND2-NZ 2.86Å; R75-K79 PolarHBondContact NE-O 3.49Å; R75-K79 PolarHBondContact NH1-O 2.78Å; R75-K79 PolarHBondContact NH2-O 2.76Å; F77-K79 PolarHBondContact O-N 3.4Å; K79-F81 PolarHBondContact O-N 3.12Å; K79-E178 WeakPolarHBondContact CA-OE2 3.28Å; K79-E178 WeakPolarHBondContact CB-OE2 3.38Å; K79-E178 PolarHBondContact N-OE1 3.37Å; K79-E178 PolarHBondContact N-OE2 2.64Å; K79-L254 HydrophobicContact CB-CB 4.47Å; K79-L254 HydrophobicContact CB-CD2 4.11Å; K79-L254 VanDerWaalsContact CD-O 3.27Å; K79-L254 WeakPolarHBondContact CD-O 3.44Å | ||
| 80 | N | 87.9 | Confident | 87 | Confident | 4 Ų | 4 | 22.8 Ų | 22.8 | 2% | 0.021 | 10% | 0.104 | C | C | . | . | trans | -62.4 | 104.3 | 179 | -177.8 | 14.2 | 0 | 0 | 0 | 112.6 | V78 N82 L177 E178 V180 | V78-N80 HydrophobicContact CG1-CB 4.43Å; N80-N82 PolarHBondContact O-N 3.05Å; N80-N82 VanDerWaalsContact OD1-CB 3.25Å; N80-N82 WeakPolarHBondContact OD1-CB 3.23Å; N80-N82 VanDerWaalsContact OD1-CG 3.31Å; N80-N82 PolarHBondContact OD1-N 2.82Å; N80-N82 VanDerWaalsContact OD1-N 3.11Å; N80-N82 PolarHBondContact OD1-ND2 3.49Å; N80-N82 VanDerWaalsContact OD1-ND2 3.15Å; N80-L177 WeakPolarHBondContact CB-O 3.15Å; N80-L177 PolarHBondContact ND2-O 2.92Å; N80-E178 PolarHBondContact N-OE2 2.83Å; N80-V180 PolarHBondContact ND2-N 3.25Å; N80-V180 PolarHBondContact ND2-O 3.44Å | ||
| 81 | F | 87.8 | Confident | 88.1 | Confident | 8 Ų | 8 | 18.3 Ų | 18.3 | 4% | 0.035 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -64.3 | -20.8 | -179.5 | -177.1 | -106.8 | 0 | 0 | 0 | 114.1 | K79 I83 L84 L85 H257 Y269 P311 L312 | K79-F81 PolarHBondContact O-N 3.12Å; F81-I83 PolarHBondContact O-N 2.74Å; F81-I83 VanDerWaalsContact O-N 3.16Å; F81-L84 HydrophobicContact CD2-CB 4.27Å; F81-L84 HydrophobicContact CD2-CD1 4.43Å; F81-L84 HydrophobicContact CE2-CB 4.15Å; F81-L84 HydrophobicContact CE2-CD1 4.02Å; F81-L84 HydrophobicContact CE2-CD2 3.69Å; F81-L84 HydrophobicContact CE2-CG 4.17Å; F81-L84 HydrophobicContact CZ-CD2 4.01Å; F81-L84 PolarHBondContact O-N 2.91Å; F81-L84 VanDerWaalsContact O-N 3.17Å; F81-L85 HydrophobicContact CD1-CB 4.21Å; F81-L85 HydrophobicContact CD1-CD2 4.26Å; F81-L85 HydrophobicContact CE1-CB 3.82Å; F81-L85 HydrophobicContact CE1-CD1 4.31Å; F81-L85 HydrophobicContact CE1-CD2 3.98Å; F81-L85 HydrophobicContact CE1-CG 4.28Å; F81-L85 HydrophobicContact CZ-CB 4.28Å; F81-L85 PolarHBondContact O-N 3.29Å; F81-H257 AromaticContact CD2-NE2 3.64Å; F81-H257 AromaticContact CG-CE1 3.85Å; F81-H257 AromaticContact CG-NE2 3.71Å; F81-Y269 AromaticContact CD1-CD2 3.9Å; F81-Y269 HydrophobicContact CD1-CD2 3.9Å; F81-Y269 AromaticContact CD1-CE2 3.73Å; F81-Y269 HydrophobicContact CD1-CE2 3.73Å; F81-Y269 AromaticContact CD2-CE2 3.73Å; F81-Y269 HydrophobicContact CD2-CE2 3.73Å; F81-Y269 HydrophobicContact CE1-CD1 4.37Å; F81-Y269 AromaticContact CE1-CD2 3.8Å; F81-Y269 HydrophobicContact CE1-CD2 3.8Å; F81-Y269 HydrophobicContact CE1-CE1 4.01Å; F81-Y269 AromaticContact CE1-CE2 3.35Å; F81-Y269 HydrophobicContact CE1-CE2 3.35Å; F81-Y269 HydrophobicContact CE1-CG 4.3Å; F81-Y269 AromaticContact CE1-CZ 3.49Å; F81-Y269 VanDerWaalsContact CE1-CZ 3.49Å; F81-Y269 HydrophobicContact CE2-CD2 4.45Å; F81-Y269 AromaticContact CE2-CE2 3.38Å; F81-Y269 HydrophobicContact CE2-CE2 3.38Å; F81-Y269 AromaticContact CE2-CZ 3.58Å; F81-Y269 VanDerWaalsContact CE2-OH 3.3Å; F81-Y269 WeakPolarHBondContact CE2-OH 3.35Å; F81-Y269 HydrophobicContact CG-CD2 4.27Å; F81-Y269 AromaticContact CG-CE2 3.91Å; F81-Y269 HydrophobicContact CG-CE2 3.91Å; F81-Y269 HydrophobicContact CZ-CD2 4.12Å; F81-Y269 AromaticContact CZ-CE1 3.9Å; F81-Y269 HydrophobicContact CZ-CE1 3.9Å; F81-Y269 AromaticContact CZ-CE2 3.2Å; F81-Y269 HydrophobicContact CZ-CE2 3.2Å; F81-Y269 AromaticContact CZ-CZ 3.07Å; F81-Y269 WeakPolarHBondContact CZ-OH 3.37Å; F81-P311 HydrophobicContact CZ-CB 3.99Å; F81-P311 HydrophobicContact CZ-CG 3.93Å; F81-L312 HydrophobicContact CD2-CD1 4.32Å; F81-L312 HydrophobicContact CE2-CD1 3.8Å; F81-L312 HydrophobicContact CE2-CG 3.83Å |
| 82 | N | 91.2 | Very high | 88.5 | Confident | 13 Ų | 13 | 21.4 Ų | 21.4 | 7% | 0.07 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -58.8 | -31.5 | -177.8 | -66.9 | -29.9 | 0 | 0 | 0 | 112.8 | N80 A86 V180 L182 G250 A251 | N80-N82 PolarHBondContact O-N 3.05Å; N80-N82 VanDerWaalsContact OD1-CB 3.25Å; N80-N82 WeakPolarHBondContact OD1-CB 3.23Å; N80-N82 VanDerWaalsContact OD1-CG 3.31Å; N80-N82 PolarHBondContact OD1-N 2.82Å; N80-N82 VanDerWaalsContact OD1-N 3.11Å; N80-N82 PolarHBondContact OD1-ND2 3.49Å; N80-N82 VanDerWaalsContact OD1-ND2 3.15Å; N82-A86 VanDerWaalsContact O-CB 3.25Å; N82-A86 WeakPolarHBondContact O-CB 3.43Å; N82-A86 PolarHBondContact O-N 2.78Å; N82-V180 PolarHBondContact ND2-O 3.38Å; N82-L182 HydrophobicContact CB-CB 4.1Å; N82-L182 HydrophobicContact CB-CD1 4.28Å; N82-G250 PolarHBondContact ND2-O 2.92Å; N82-A251 VanDerWaalsContact ND2-C 3.34Å; N82-A251 PolarHBondContact ND2-O 3.21Å |
| 83 | I | 93.1 | Very high | 89 | Confident | 2 Ų | 2 | 22.4 Ų | 22.4 | 1% | 0.01 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -65.7 | -49.5 | 178.2 | -52.2 | -56.1 | 0 | 0 | 0 | 110.9 | F81 L85 A86 F87 L150 Y167 L177 V180 | F81-I83 PolarHBondContact O-N 2.74Å; F81-I83 VanDerWaalsContact O-N 3.16Å; I83-L85 VanDerWaalsContact C-N 3.32Å; I83-L85 PolarHBondContact O-N 3.35Å; I83-A86 PolarHBondContact O-N 2.81Å; I83-F87 HydrophobicContact CG2-CD1 4.44Å; I83-F87 HydrophobicContact CG2-CE1 3.96Å; I83-F87 HydrophobicContact CG2-CE2 4.13Å; I83-F87 HydrophobicContact CG2-CZ 3.77Å; I83-F87 WeakPolarHBondContact O-CD1 3.11Å; I83-F87 WeakPolarHBondContact O-CG 3.28Å; I83-F87 PolarHBondContact O-N 2.84Å; I83-L150 HydrophobicContact CG2-CD1 3.92Å; I83-Y167 HydrophobicContact CD1-CD1 4.17Å; I83-Y167 HydrophobicContact CD1-CE1 3.81Å; I83-L177 HydrophobicContact CD1-CB 4.49Å; I83-L177 HydrophobicContact CD1-CD2 3.92Å; I83-L177 HydrophobicContact CG1-CB 4.26Å; I83-L177 HydrophobicContact CG1-CD2 4.29Å; I83-V180 HydrophobicContact CD1-CB 3.86Å; I83-V180 HydrophobicContact CD1-CG1 4.07Å; I83-V180 HydrophobicContact CD1-CG2 4.2Å |
| 84 | L | 91.6 | Very high | 89.1 | Confident | 3 Ų | 3 | 25.9 Ų | 25.9 | 2% | 0.016 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -59.1 | -46.8 | 177.3 | -172.1 | 161.3 | 0 | 0 | 0 | 110.6 | L73 R75 F81 A86 F87 T88 L150 P311 L312 | L73-L84 HydrophobicContact CB-CD1 4.15Å; L73-L84 HydrophobicContact CB-CD2 4.06Å; L73-L84 HydrophobicContact CB-CG 3.88Å; L73-L84 HydrophobicContact CD1-CD2 4.45Å; L73-L84 HydrophobicContact CD1-CG 4.24Å; R75-L84 HydrophobicContact CB-CD1 3.97Å; F81-L84 HydrophobicContact CD2-CB 4.27Å; F81-L84 HydrophobicContact CD2-CD1 4.43Å; F81-L84 HydrophobicContact CE2-CB 4.15Å; F81-L84 HydrophobicContact CE2-CD1 4.02Å; F81-L84 HydrophobicContact CE2-CD2 3.69Å; F81-L84 HydrophobicContact CE2-CG 4.17Å; F81-L84 HydrophobicContact CZ-CD2 4.01Å; F81-L84 PolarHBondContact O-N 2.91Å; F81-L84 VanDerWaalsContact O-N 3.17Å; L84-A86 PolarHBondContact O-N 3.08Å; L84-F87 PolarHBondContact O-N 2.68Å; L84-T88 PolarHBondContact O-N 2.88Å; L84-T88 PolarHBondContact O-OG1 3.02Å; L84-L150 HydrophobicContact CB-CD1 4.41Å; L84-L150 HydrophobicContact CB-CD2 3.72Å; L84-L150 HydrophobicContact CD1-CD2 3.57Å; L84-L150 HydrophobicContact CG-CD2 3.69Å; L84-P311 HydrophobicContact CD2-CB 3.44Å; L84-P311 VanDerWaalsContact CD2-CB 3.44Å; L84-L312 HydrophobicContact CD1-CD2 3.77Å; L84-L312 HydrophobicContact CD1-CG 4.33Å |
| 85 | L | 90.7 | Very high | 89.3 | Confident | 2 Ų | 2 | 29.1 Ų | 29.1 | 1% | 0.01 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -62.1 | -42.6 | -179.8 | -179.3 | 59.1 | 0 | 0 | 0 | 112 | F81 I83 T88 G89 L182 I228 P311 | F81-L85 HydrophobicContact CD1-CB 4.21Å; F81-L85 HydrophobicContact CD1-CD2 4.26Å; F81-L85 HydrophobicContact CE1-CB 3.82Å; F81-L85 HydrophobicContact CE1-CD1 4.31Å; F81-L85 HydrophobicContact CE1-CD2 3.98Å; F81-L85 HydrophobicContact CE1-CG 4.28Å; F81-L85 HydrophobicContact CZ-CB 4.28Å; F81-L85 PolarHBondContact O-N 3.29Å; I83-L85 VanDerWaalsContact C-N 3.32Å; I83-L85 PolarHBondContact O-N 3.35Å; L85-T88 PolarHBondContact O-N 3.16Å; L85-G89 PolarHBondContact O-N 2.8Å; L85-L182 HydrophobicContact CB-CD1 4.22Å; L85-L182 HydrophobicContact CD2-CD1 3.91Å; L85-L182 HydrophobicContact CD2-CD2 3.57Å; L85-L182 HydrophobicContact CD2-CG 4.38Å; L85-L182 HydrophobicContact CG-CD1 3.95Å; L85-L182 HydrophobicContact CG-CD2 4.29Å; L85-I228 HydrophobicContact CD1-CD1 4.36Å; L85-I228 HydrophobicContact CD1-CG2 3.91Å; L85-I228 HydrophobicContact CD2-CG2 3.78Å; L85-I228 HydrophobicContact CG-CD1 4.16Å; L85-I228 HydrophobicContact CG-CG2 4.1Å; L85-P311 HydrophobicContact CD1-CG 3.57Å |
| 86 | A | 94 | Very high | 89.5 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -65.1 | -40 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | N82 I83 L84 G89 L90 L182 A185 M186 L189 | N82-A86 VanDerWaalsContact O-CB 3.25Å; N82-A86 WeakPolarHBondContact O-CB 3.43Å; N82-A86 PolarHBondContact O-N 2.78Å; I83-A86 PolarHBondContact O-N 2.81Å; L84-A86 PolarHBondContact O-N 3.08Å; A86-G89 PolarHBondContact O-N 2.78Å; A86-L90 WeakPolarHBondContact O-CB 3.36Å; A86-L90 PolarHBondContact O-N 3.06Å; A86-L182 HydrophobicContact CB-CD1 4.15Å; A86-A185 HydrophobicContact CB-CB 3.71Å; A86-M186 VanDerWaalsContact CA-SD 3.56Å; A86-M186 HydrophobicContact CB-CG 4.35Å; A86-M186 HydrophobicContact CB-SD 3.75Å; A86-L189 HydrophobicContact CB-CD1 3.71Å |
| 87 | F | 93.9 | Very high | 89.7 | Confident | 1 Ų | 1 | 27.3 Ų | 27.3 | 0% | 0.004 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -66 | -41.5 | 176.5 | -74 | 11.2 | 0 | 0 | 0 | 111.9 | L73 I83 L84 L90 K91 L150 W159 L163 E164 L189 | L73-F87 HydrophobicContact CD1-CB 3.91Å; I83-F87 HydrophobicContact CG2-CD1 4.44Å; I83-F87 HydrophobicContact CG2-CE1 3.96Å; I83-F87 HydrophobicContact CG2-CE2 4.13Å; I83-F87 HydrophobicContact CG2-CZ 3.77Å; I83-F87 WeakPolarHBondContact O-CD1 3.11Å; I83-F87 WeakPolarHBondContact O-CG 3.28Å; I83-F87 PolarHBondContact O-N 2.84Å; L84-F87 PolarHBondContact O-N 2.68Å; F87-L90 PolarHBondContact O-N 3.2Å; F87-K91 PolarHBondContact O-N 2.86Å; F87-L150 HydrophobicContact CD2-CD1 3.76Å; F87-L150 HydrophobicContact CE2-CD1 3.84Å; F87-W159 HydrophobicContact CB-CH2 4.2Å; F87-W159 HydrophobicContact CB-CZ3 4.08Å; F87-W159 HydrophobicContact CD2-CZ3 4.15Å; F87-W159 HydrophobicContact CG-CZ3 4.35Å; F87-L163 HydrophobicContact CD1-CD2 3.78Å; F87-L163 HydrophobicContact CD1-CG 4.47Å; F87-L163 HydrophobicContact CD2-CD2 3.88Å; F87-L163 HydrophobicContact CD2-CG 4.38Å; F87-L163 HydrophobicContact CE1-CD2 3.67Å; F87-L163 HydrophobicContact CE1-CG 3.87Å; F87-L163 HydrophobicContact CE2-CB 3.9Å; F87-L163 HydrophobicContact CE2-CD2 3.77Å; F87-L163 HydrophobicContact CE2-CG 3.75Å; F87-L163 HydrophobicContact CG-CD2 3.9Å; F87-L163 HydrophobicContact CZ-CB 4.07Å; F87-L163 HydrophobicContact CZ-CD2 3.67Å; F87-L163 HydrophobicContact CZ-CG 3.48Å; F87-L163 VanDerWaalsContact CZ-CG 3.48Å; F87-E164 HydrophobicContact CE2-CB 4.04Å; F87-E164 HydrophobicContact CZ-CB 4.44Å; F87-L189 HydrophobicContact CD1-CD1 3.7Å; F87-L189 HydrophobicContact CD1-CD2 4.4Å; F87-L189 HydrophobicContact CE1-CD1 3.99Å; F87-L189 HydrophobicContact CE1-CD2 4.07Å |
| 88 | T | 89.9 | Confident | 89.8 | Confident | 1 Ų | 1 | 26.9 Ų | 26.9 | 1% | 0.006 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -60.3 | -47.5 | 172.9 | -65 | 0 | 0 | 0 | 0 | 110.8 | F71 L84 L85 L90 K91 Y92 P311 | F71-T88 HydrophobicContact CE2-CG2 4.13Å; F71-T88 HydrophobicContact CZ-CG2 4.04Å; L84-T88 PolarHBondContact O-N 2.88Å; L84-T88 PolarHBondContact O-OG1 3.02Å; L85-T88 PolarHBondContact O-N 3.16Å; T88-L90 VanDerWaalsContact C-N 3.34Å; T88-L90 PolarHBondContact O-N 3.5Å; T88-K91 PolarHBondContact O-N 2.84Å; T88-Y92 HydrophobicContact CG2-CD2 4.44Å; T88-Y92 HydrophobicContact CG2-CE2 4.43Å; T88-Y92 WeakPolarHBondContact O-CD2 3.42Å; T88-Y92 PolarHBondContact O-N 3.41Å; T88-P311 HydrophobicContact CG2-CB 4.04Å; T88-P311 HydrophobicContact CG2-CG 4.46Å |
| 89 | G | 91.1 | Very high | 90 | Very high | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.01 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -58.5 | -43.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113 | L85 A86 Y92 I226 | L85-G89 PolarHBondContact O-N 2.8Å; A86-G89 PolarHBondContact O-N 2.78Å; G89-Y92 WeakPolarHBondContact O-CB 3.48Å; G89-Y92 PolarHBondContact O-N 3.07Å; G89-I226 WeakPolarHBondContact O-CD1 3.34Å |
| 90 | L | 92.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -61 | -46.7 | 177.7 | 177.6 | 68 | 0 | 0 | 0 | 112.2 | A86 F87 T88 Y92 K93 W97 V100 L163 L189 T190 | A86-L90 WeakPolarHBondContact O-CB 3.36Å; A86-L90 PolarHBondContact O-N 3.06Å; F87-L90 PolarHBondContact O-N 3.2Å; T88-L90 VanDerWaalsContact C-N 3.34Å; T88-L90 PolarHBondContact O-N 3.5Å; L90-Y92 PolarHBondContact O-N 2.76Å; L90-K93 PolarHBondContact O-N 3.5Å; L90-W97 HydrophobicContact CD2-CE3 4.23Å; L90-W97 HydrophobicContact CG-CE3 4.17Å; L90-V100 HydrophobicContact CD1-CG2 3.93Å; L90-V100 HydrophobicContact CD2-CB 3.97Å; L90-V100 HydrophobicContact CD2-CG1 4.07Å; L90-V100 HydrophobicContact CD2-CG2 3.84Å; L90-L163 HydrophobicContact CD2-CD2 4.29Å; L90-L189 HydrophobicContact CD1-CB 4.38Å; L90-L189 HydrophobicContact CD2-CB 4.34Å; L90-L189 HydrophobicContact CD2-CD1 4.48Å; L90-L189 HydrophobicContact CD2-CD2 4.15Å; L90-T190 HydrophobicContact CD1-CG2 4.18Å |
| 91 | K | 88.2 | Confident | 90.7 | Very high | 35 Ų | 35 | 27.6 Ų | 27.6 | 15% | 0.152 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -62.8 | -28.4 | -177.7 | -176.9 | 69.1 | 176.9 | -177.6 | 0 | 112.4 | S65 F71 F87 T88 K93 W97 W159 | S65-K91 PolarHBondContact OG-NZ 2.84Å; F71-K91 HydrophobicContact CD1-CG 3.6Å; F71-K91 HydrophobicContact CD2-CG 4.08Å; F71-K91 HydrophobicContact CE1-CB 3.83Å; F71-K91 HydrophobicContact CE1-CG 3.29Å; F71-K91 HydrophobicContact CE2-CB 3.85Å; F71-K91 HydrophobicContact CE2-CG 3.8Å; F71-K91 HydrophobicContact CG-CG 4Å; F71-K91 HydrophobicContact CZ-CB 3.44Å; F71-K91 VanDerWaalsContact CZ-CB 3.44Å; F71-K91 HydrophobicContact CZ-CG 3.4Å; F71-K91 VanDerWaalsContact CZ-CG 3.4Å; F87-K91 PolarHBondContact O-N 2.86Å; T88-K91 PolarHBondContact O-N 2.84Å; K91-K93 VanDerWaalsContact C-N 3.27Å; K91-K93 PolarHBondContact O-N 3.08Å; K91-W97 HydrophobicContact CB-CE3 4.06Å; K91-W97 HydrophobicContact CB-CZ3 4.15Å; K91-W97 HydrophobicContact CD-CD2 3.78Å; K91-W97 HydrophobicContact CD-CE3 3.6Å; K91-W97 HydrophobicContact CD-CH2 3.59Å; K91-W97 HydrophobicContact CD-CZ2 3.74Å; K91-W97 HydrophobicContact CD-CZ3 3.52Å; K91-W97 HydrophobicContact CG-CE3 4.44Å; K91-W97 HydrophobicContact CG-CZ3 4.4Å; K91-W97 VanDerWaalsContact NZ-CZ2 3.27Å; K91-W159 HydrophobicContact CB-CH2 4.43Å; K91-W159 HydrophobicContact CD-CZ2 4.35Å; K91-W159 HydrophobicContact CG-CZ2 4.43Å |
| 92 | Y | 83.5 | Confident | 90.8 | Very high | 83 Ų | 83 | 27.5 Ų | 27.5 | 33% | 0.325 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -67.9 | -22.5 | 173.7 | -97.4 | -95.6 | 0 | 0 | 0 | 114 | F71 T88 G89 L90 L272 T274 R309 | F71-Y92 AromaticContact CE1-CD2 4Å; F71-Y92 HydrophobicContact CE1-CD2 4Å; F71-Y92 AromaticContact CE1-CE2 3.92Å; F71-Y92 HydrophobicContact CE1-CE2 3.92Å; F71-Y92 AromaticContact CZ-CD2 3.88Å; F71-Y92 HydrophobicContact CZ-CD2 3.88Å; F71-Y92 AromaticContact CZ-CE2 3.96Å; F71-Y92 HydrophobicContact CZ-CE2 3.96Å; T88-Y92 HydrophobicContact CG2-CD2 4.44Å; T88-Y92 HydrophobicContact CG2-CE2 4.43Å; T88-Y92 WeakPolarHBondContact O-CD2 3.42Å; T88-Y92 PolarHBondContact O-N 3.41Å; G89-Y92 WeakPolarHBondContact O-CB 3.48Å; G89-Y92 PolarHBondContact O-N 3.07Å; L90-Y92 PolarHBondContact O-N 2.76Å; Y92-L272 HydrophobicContact CD1-CD2 4.1Å; Y92-L272 HydrophobicContact CD2-CD2 3.45Å; Y92-L272 VanDerWaalsContact CD2-CD2 3.45Å; Y92-L272 HydrophobicContact CE1-CD2 4.27Å; Y92-L272 HydrophobicContact CE2-CD2 3.66Å; Y92-L272 HydrophobicContact CG-CD2 3.69Å; Y92-T274 HydrophobicContact CE1-CG2 3.84Å; Y92-R309 WeakPolarHBondContact OH-CD 3.49Å; Y92-R309 PolarHBondContact OH-NH1 3.26Å |
| 93 | K | 87.5 | Confident | 90.8 | Very high | 32 Ų | 32 | 31.4 Ų | 31.4 | 14% | 0.139 | 17% | 0.165 | C | C | . | . | trans | -111.7 | 87 | -178.4 | -60.1 | -57.5 | -172.8 | 179 | 0 | 110.9 | L90 K91 K95 Y96 W97 E224 C225 I226 | L90-K93 PolarHBondContact O-N 3.5Å; K91-K93 VanDerWaalsContact C-N 3.27Å; K91-K93 PolarHBondContact O-N 3.08Å; K93-K95 PolarHBondContact O-N 3.39Å; K93-Y96 HydrophobicContact CB-CD2 3.87Å; K93-Y96 PolarHBondContact O-N 2.72Å; K93-W97 PolarHBondContact O-N 2.87Å; K93-E224 WeakPolarHBondContact CE-O 3.15Å; K93-E224 PolarHBondContact NZ-O 2.76Å; K93-E224 IonicContact NZ-OE2 3.11Å; K93-E224 PolarHBondContact NZ-OE2 3.02Å; K93-C225 VanDerWaalsContact CE-O 3.25Å; K93-C225 WeakPolarHBondContact CE-O 3.27Å; K93-C225 PolarHBondContact NZ-O 2.84Å; K93-I226 HydrophobicContact CB-CD1 4.4Å; K93-I226 HydrophobicContact CD-CG1 4.35Å; K93-I226 HydrophobicContact CG-CD1 3.67Å; K93-I226 HydrophobicContact CG-CG1 3.53Å | ||
| 94 | A | 87.5 | Confident | 90.7 | Very high | 74 Ų | 74 | 33.1 Ų | 33.1 | 61% | 0.612 | 17% | 0.174 | S | C | * | . | H | α-helix | trans | -47 | -37.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | A98 | A94-A98 WeakPolarHBondContact O-CB 3.3Å; A94-A98 PolarHBondContact O-N 2.87Å |
| 95 | K | 88.2 | Confident | 90.7 | Very high | 136 Ų | 136 | 42.7 Ų | 42.7 | 59% | 0.591 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -60.1 | -43.2 | 176.9 | -179.9 | -177.3 | 175.6 | -173.3 | 0 | 113.1 | K93 | K93-K95 PolarHBondContact O-N 3.39Å |
| 96 | Y | 90.2 | Very high | 90.7 | Very high | 21 Ų | 21 | 45.3 Ų | 45.3 | 8% | 0.082 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -86.8 | -35.4 | -179.3 | -61.3 | -72.3 | 0 | 0 | 0 | 111.4 | K93 A98 K99 V100 F375 | K93-Y96 HydrophobicContact CB-CD2 3.87Å; K93-Y96 PolarHBondContact O-N 2.72Å; Y96-A98 VanDerWaalsContact C-N 3.28Å; Y96-A98 PolarHBondContact O-N 3.04Å; Y96-K99 HydrophobicContact CD1-CD 4.23Å; Y96-K99 WeakPolarHBondContact O-CA 3.46Å; Y96-K99 WeakPolarHBondContact O-CB 3.29Å; Y96-K99 PolarHBondContact O-N 3Å; Y96-V100 PolarHBondContact O-N 2.81Å; Y96-V100 VanDerWaalsContact O-N 3.16Å; Y96-F375 HydrophobicContact CD1-CD1 4.47Å; Y96-F375 HydrophobicContact CD1-CE1 4.33Å; Y96-F375 HydrophobicContact CD2-CD1 4.31Å; Y96-F375 HydrophobicContact CD2-CD2 4.41Å; Y96-F375 AromaticContact CD2-CE1 3.97Å; Y96-F375 HydrophobicContact CD2-CE1 3.97Å; Y96-F375 HydrophobicContact CD2-CE2 4.06Å; Y96-F375 AromaticContact CD2-CZ 3.82Å; Y96-F375 HydrophobicContact CD2-CZ 3.82Å; Y96-F375 AromaticContact CE1-CD1 3.75Å; Y96-F375 HydrophobicContact CE1-CD1 3.75Å; Y96-F375 HydrophobicContact CE1-CE1 4.05Å; Y96-F375 HydrophobicContact CE1-CG 4.3Å; Y96-F375 HydrophobicContact CE2-CB 4.3Å; Y96-F375 AromaticContact CE2-CD1 3.56Å; Y96-F375 HydrophobicContact CE2-CD1 3.56Å; Y96-F375 AromaticContact CE2-CD2 3.51Å; Y96-F375 HydrophobicContact CE2-CD2 3.51Å; Y96-F375 AromaticContact CE2-CE1 3.66Å; Y96-F375 HydrophobicContact CE2-CE1 3.66Å; Y96-F375 AromaticContact CE2-CE2 3.59Å; Y96-F375 HydrophobicContact CE2-CE2 3.59Å; Y96-F375 AromaticContact CE2-CG 3.49Å; Y96-F375 HydrophobicContact CE2-CG 3.49Å; Y96-F375 VanDerWaalsContact CE2-CG 3.49Å; Y96-F375 AromaticContact CE2-CZ 3.67Å; Y96-F375 HydrophobicContact CE2-CZ 3.67Å; Y96-F375 HydrophobicContact CG-CE1 4.33Å; Y96-F375 HydrophobicContact CG-CZ 4.5Å; Y96-F375 AromaticContact CZ-CD1 3.27Å; Y96-F375 AromaticContact CZ-CD2 3.93Å; Y96-F375 AromaticContact CZ-CE1 3.75Å; Y96-F375 AromaticContact CZ-CG 3.38Å; Y96-F375 WeakPolarHBondContact OH-CB 3.36Å; Y96-F375 WeakPolarHBondContact OH-CD1 3.37Å; Y96-F375 WeakPolarHBondContact OH-CG 3.23Å |
| 97 | W | 91.6 | Very high | 90.8 | Very high | 21 Ų | 21 | 45.3 Ų | 45.3 | 8% | 0.08 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -48.6 | -49.8 | 169.4 | 171.5 | -98.1 | 0 | 0 | 0 | 112.3 | L90 K91 K93 K99 V100 L101 I104 W159 | L90-W97 HydrophobicContact CD2-CE3 4.23Å; L90-W97 HydrophobicContact CG-CE3 4.17Å; K91-W97 HydrophobicContact CB-CE3 4.06Å; K91-W97 HydrophobicContact CB-CZ3 4.15Å; K91-W97 HydrophobicContact CD-CD2 3.78Å; K91-W97 HydrophobicContact CD-CE3 3.6Å; K91-W97 HydrophobicContact CD-CH2 3.59Å; K91-W97 HydrophobicContact CD-CZ2 3.74Å; K91-W97 HydrophobicContact CD-CZ3 3.52Å; K91-W97 HydrophobicContact CG-CE3 4.44Å; K91-W97 HydrophobicContact CG-CZ3 4.4Å; K91-W97 VanDerWaalsContact NZ-CZ2 3.27Å; K93-W97 PolarHBondContact O-N 2.87Å; W97-K99 PolarHBondContact O-N 2.9Å; W97-V100 PolarHBondContact O-N 3.14Å; W97-L101 HydrophobicContact CD2-CD1 4.03Å; W97-L101 HydrophobicContact CE3-CD1 3.68Å; W97-L101 HydrophobicContact CH2-CD1 3.66Å; W97-L101 HydrophobicContact CH2-CD2 3.33Å; W97-L101 HydrophobicContact CH2-CG 4.09Å; W97-L101 HydrophobicContact CZ2-CB 4.43Å; W97-L101 HydrophobicContact CZ2-CD1 4.04Å; W97-L101 HydrophobicContact CZ2-CD2 3.37Å; W97-L101 HydrophobicContact CZ2-CG 4.15Å; W97-L101 HydrophobicContact CZ3-CD1 3.47Å; W97-L101 VanDerWaalsContact CZ3-CD1 3.47Å; W97-L101 HydrophobicContact CZ3-CD2 4.07Å; W97-L101 HydrophobicContact CZ3-CG 4.39Å; W97-L101 PolarHBondContact O-N 2.84Å; W97-I104 HydrophobicContact CZ2-CD1 4.2Å; W97-I104 VanDerWaalsContact NE1-CD1 3.35Å; W97-W159 HydrophobicContact CH2-CB 4.45Å; W97-W159 AromaticContact CH2-CD2 3.45Å; W97-W159 HydrophobicContact CH2-CD2 3.45Å; W97-W159 VanDerWaalsContact CH2-CD2 3.45Å; W97-W159 AromaticContact CH2-CE2 3.78Å; W97-W159 AromaticContact CH2-CE3 3.57Å; W97-W159 HydrophobicContact CH2-CE3 3.57Å; W97-W159 AromaticContact CH2-CG 3.84Å; W97-W159 HydrophobicContact CH2-CG 3.84Å; W97-W159 HydrophobicContact CH2-CH2 4.29Å; W97-W159 HydrophobicContact CH2-CZ2 4.19Å; W97-W159 HydrophobicContact CH2-CZ3 4.01Å; W97-W159 HydrophobicContact CZ3-CD2 4.03Å; W97-W159 AromaticContact CZ3-CE3 3.71Å; W97-W159 HydrophobicContact CZ3-CE3 3.71Å; W97-W159 AromaticContact CZ3-CH2 3.97Å; W97-W159 HydrophobicContact CZ3-CH2 3.97Å; W97-W159 HydrophobicContact CZ3-CZ2 4.27Å; W97-W159 AromaticContact CZ3-CZ3 3.69Å; W97-W159 HydrophobicContact CZ3-CZ3 3.69Å |
| 98 | A | 92 | Very high | 90.8 | Very high | 60 Ų | 60 | 47.8 Ų | 47.8 | 50% | 0.496 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -69.4 | -16.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | A94 Y96 | A94-A98 WeakPolarHBondContact O-CB 3.3Å; A94-A98 PolarHBondContact O-N 2.87Å; Y96-A98 VanDerWaalsContact C-N 3.28Å; Y96-A98 PolarHBondContact O-N 3.04Å |
| 99 | K | 91.9 | Very high | 91 | Very high | 83 Ų | 83 | 48.3 Ų | 48.3 | 36% | 0.361 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -80 | -35.1 | 172.6 | -71.2 | -179.1 | 174.7 | -173.5 | 0 | 111.9 | Y96 W97 V102 R124 | Y96-K99 HydrophobicContact CD1-CD 4.23Å; Y96-K99 WeakPolarHBondContact O-CA 3.46Å; Y96-K99 WeakPolarHBondContact O-CB 3.29Å; Y96-K99 PolarHBondContact O-N 3Å; W97-K99 PolarHBondContact O-N 2.9Å; K99-V102 VanDerWaalsContact O-CG1 3.29Å; K99-V102 WeakPolarHBondContact O-CG1 3.06Å; K99-R124 WeakPolarHBondContact O-CB 3.48Å |
| 100 | V | 95 | Very high | 91 | Very high | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.006 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -81.2 | -56 | 179.2 | -179.8 | 0 | 0 | 0 | 0 | 110.8 | L90 Y96 W97 V102 F123 R124 L163 L189 | L90-V100 HydrophobicContact CD1-CG2 3.93Å; L90-V100 HydrophobicContact CD2-CB 3.97Å; L90-V100 HydrophobicContact CD2-CG1 4.07Å; L90-V100 HydrophobicContact CD2-CG2 3.84Å; Y96-V100 PolarHBondContact O-N 2.81Å; Y96-V100 VanDerWaalsContact O-N 3.16Å; W97-V100 PolarHBondContact O-N 3.14Å; V100-V102 PolarHBondContact O-N 3.42Å; V100-F123 CarbonylContact O-C 3.51Å; V100-F123 WeakPolarHBondContact O-CA 3.35Å; V100-R124 WeakPolarHBondContact CA-O 3.28Å; V100-R124 WeakPolarHBondContact CG1-O 3.34Å; V100-R124 PolarHBondContact O-N 2.99Å; V100-L163 HydrophobicContact CG1-CD1 3.57Å; V100-L189 HydrophobicContact CG1-CD2 4.32Å; V100-L189 WeakPolarHBondContact CG2-O 3.38Å |
| 101 | L | 93.9 | Very high | 90.7 | Very high | 2 Ų | 2 | 57.9 Ų | 57.9 | 1% | 0.01 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -90.8 | 81.2 | 176.5 | -71.7 | 84.6 | 0 | 0 | 0 | 109.2 | F64 W97 I104 F123 W159 L163 | F64-L101 HydrophobicContact CE1-CD2 4.19Å; F64-L101 HydrophobicContact CE2-CD2 4.3Å; F64-L101 HydrophobicContact CZ-CD2 3.76Å; F64-L101 HydrophobicContact CZ-CG 4.35Å; W97-L101 HydrophobicContact CD2-CD1 4.03Å; W97-L101 HydrophobicContact CE3-CD1 3.68Å; W97-L101 HydrophobicContact CH2-CD1 3.66Å; W97-L101 HydrophobicContact CH2-CD2 3.33Å; W97-L101 HydrophobicContact CH2-CG 4.09Å; W97-L101 HydrophobicContact CZ2-CB 4.43Å; W97-L101 HydrophobicContact CZ2-CD1 4.04Å; W97-L101 HydrophobicContact CZ2-CD2 3.37Å; W97-L101 HydrophobicContact CZ2-CG 4.15Å; W97-L101 HydrophobicContact CZ3-CD1 3.47Å; W97-L101 VanDerWaalsContact CZ3-CD1 3.47Å; W97-L101 HydrophobicContact CZ3-CD2 4.07Å; W97-L101 HydrophobicContact CZ3-CG 4.39Å; W97-L101 PolarHBondContact O-N 2.84Å; L101-I104 HydrophobicContact CB-CD1 3.9Å; L101-I104 HydrophobicContact CB-CG1 3.85Å; L101-I104 HydrophobicContact CD2-CD1 4.46Å; L101-I104 WeakPolarHBondContact O-CG1 3.1Å; L101-F123 HydrophobicContact CD2-CE1 4.21Å; L101-F123 HydrophobicContact CG-CD1 4.02Å; L101-F123 HydrophobicContact CG-CE1 3.9Å; L101-W159 HydrophobicContact CD2-CB 3.87Å; L101-W159 HydrophobicContact CD2-CG 4.46Å; L101-L163 HydrophobicContact CD1-CD2 4.33Å |
| 102 | V | 90.6 | Very high | 90.7 | Very high | 7 Ų | 7 | 64.6 Ų | 64.6 | 4% | 0.042 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | 143.6 | -179.1 | -65 | 0 | 0 | 0 | 0 | 111.6 | K99 V100 I104 Q107 R122 R124 | K99-V102 VanDerWaalsContact O-CG1 3.29Å; K99-V102 WeakPolarHBondContact O-CG1 3.06Å; V100-V102 PolarHBondContact O-N 3.42Å; V102-I104 VanDerWaalsContact C-N 3.27Å; V102-I104 PolarHBondContact O-N 2.86Å; V102-I104 VanDerWaalsContact O-N 3.09Å; V102-Q107 PolarHBondContact O-NE2 3.16Å; V102-R122 HydrophobicContact CG2-CG 3.85Å; V102-R124 HydrophobicContact CG1-CG 4.05Å |
| 103 | D | 89.4 | Confident | 91 | Very high | 94 Ų | 94 | 64.7 Ų | 64.7 | 50% | 0.503 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 46.4 | 43.2 | 173.2 | -54.5 | -41.5 | 0 | 0 | 0 | 115.2 | K105 S106 Q107 R122 | D103-K105 PolarHBondContact O-N 3.19Å; D103-S106 VanDerWaalsContact CB-OG 3.26Å; D103-S106 WeakPolarHBondContact CB-OG 3.38Å; D103-S106 WeakPolarHBondContact O-CA 3.35Å; D103-S106 WeakPolarHBondContact O-CB 3.24Å; D103-S106 PolarHBondContact O-N 3.35Å; D103-S106 PolarHBondContact O-OG 2.91Å; D103-Q107 PolarHBondContact O-N 3.26Å; D103-R122 IonicContact OD2-CZ 2.77Å; D103-R122 IonicContact OD2-NH2 2.69Å; D103-R122 PolarHBondContact OD2-NH2 3.49Å |
| 104 | I | 91.6 | Very high | 91.1 | Very high | 39 Ų | 39 | 64 Ų | 64 | 20% | 0.2 | 33% | 0.333 | C | S | . | . | G | 310 helix | trans | -43 | -48.5 | -176.9 | -64.8 | 175.4 | 0 | 0 | 0 | 112 | F64 W97 L101 V102 S106 Q107 E108 | F64-I104 HydrophobicContact CD1-CB 4.43Å; F64-I104 HydrophobicContact CD1-CG2 3.85Å; F64-I104 HydrophobicContact CE1-CB 4.46Å; F64-I104 HydrophobicContact CE1-CG1 4.23Å; F64-I104 HydrophobicContact CE1-CG2 4.31Å; W97-I104 HydrophobicContact CZ2-CD1 4.2Å; W97-I104 VanDerWaalsContact NE1-CD1 3.35Å; L101-I104 HydrophobicContact CB-CD1 3.9Å; L101-I104 HydrophobicContact CB-CG1 3.85Å; L101-I104 HydrophobicContact CD2-CD1 4.46Å; L101-I104 WeakPolarHBondContact O-CG1 3.1Å; V102-I104 VanDerWaalsContact C-N 3.27Å; V102-I104 PolarHBondContact O-N 2.86Å; V102-I104 VanDerWaalsContact O-N 3.09Å; I104-S106 PolarHBondContact O-N 2.87Å; I104-Q107 CarbonylContact O-C 3.57Å; I104-Q107 PolarHBondContact O-N 3.47Å; I104-E108 PolarHBondContact O-N 2.97Å; I104-E108 VanDerWaalsContact O-N 3.12Å |
| 105 | K | 91.5 | Very high | 91.2 | Very high | 203 Ų | 203 | 66.4 Ų | 66.4 | 88% | 0.883 | 34% | 0.335 | S | S | * | . | G | 310 helix | trans | -58.1 | -31.8 | -179.7 | -66.3 | -175.3 | 178.3 | -178.2 | 0 | 113.8 | D103 Q107 | D103-K105 PolarHBondContact O-N 3.19Å; K105-Q107 VanDerWaalsContact C-N 3.34Å |
| 106 | S | 91.8 | Very high | 91.3 | Very high | 58 Ų | 58 | 66.5 Ų | 66.5 | 41% | 0.406 | 34% | 0.338 | S | S | . | . | G | 310 helix | trans | -80.3 | -17.6 | 178.9 | 79.3 | 0 | 0 | 0 | 0 | 113.2 | K18 D103 I104 | K18-S106 PolarHBondContact NZ-O 3.08Å; D103-S106 VanDerWaalsContact CB-OG 3.26Å; D103-S106 WeakPolarHBondContact CB-OG 3.38Å; D103-S106 WeakPolarHBondContact O-CA 3.35Å; D103-S106 WeakPolarHBondContact O-CB 3.24Å; D103-S106 PolarHBondContact O-N 3.35Å; D103-S106 PolarHBondContact O-OG 2.91Å; I104-S106 PolarHBondContact O-N 2.87Å |
| 107 | Q | 94.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -103.1 | 1 | 179.9 | -51.1 | -163.1 | 61.2 | 0 | 0 | 112.2 | F64 V102 D103 I104 K105 H117 F121 R122 | F64-Q107 HydrophobicContact CD1-CB 4.01Å; F64-Q107 HydrophobicContact CE1-CB 4.07Å; V102-Q107 PolarHBondContact O-NE2 3.16Å; D103-Q107 PolarHBondContact O-N 3.26Å; I104-Q107 CarbonylContact O-C 3.57Å; I104-Q107 PolarHBondContact O-N 3.47Å; K105-Q107 VanDerWaalsContact C-N 3.34Å; Q107-H117 PolarHBondContact O-NE2 2.94Å; Q107-F121 HydrophobicContact CB-CD1 4.1Å; Q107-F121 HydrophobicContact CB-CE1 4.21Å; Q107-F121 VanDerWaalsContact O-CE1 3.22Å; Q107-F121 WeakPolarHBondContact O-CE1 2.94Å; Q107-R122 PolarHBondContact NE2-O 2.61Å |
| 108 | E | 94.9 | Very high | 91.6 | Very high | 53 Ų | 53 | 65.7 Ų | 65.7 | 25% | 0.248 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -78.8 | 148.7 | -178.2 | -170.6 | 52.9 | -89.4 | 0 | 0 | 110.9 | C63 F64 S65 I104 | C63-E108 VanDerWaalsContact CA-OE1 3.25Å; C63-E108 WeakPolarHBondContact CA-OE1 3.41Å; F64-E108 WeakPolarHBondContact CB-OE2 3.45Å; F64-E108 VanDerWaalsContact N-CD 3.27Å; F64-E108 PolarHBondContact N-OE1 3.02Å; F64-E108 PolarHBondContact N-OE2 3.48Å; S65-E108 PolarHBondContact N-OE2 3Å; I104-E108 PolarHBondContact O-N 2.97Å; I104-E108 VanDerWaalsContact O-N 3.12Å |
| 109 | W | 93.5 | Very high | 91.8 | Very high | 11 Ų | 11 | 62.8 Ų | 62.8 | 4% | 0.042 | 31% | 0.313 | C | S | . | . | P | Polyproline II helix | trans | -69.6 | 138.2 | 172 | -73.4 | -91.5 | 0 | 0 | 0 | 110.6 | P55 P62 F64 V111 H117 F121 F158 L162 | P55-W109 HydrophobicContact CB-CH2 3.75Å; P55-W109 HydrophobicContact CB-CZ2 3.57Å; P55-W109 HydrophobicContact CG-CH2 3.68Å; P55-W109 HydrophobicContact CG-CZ2 3.62Å; P62-W109 HydrophobicContact CB-CD2 4.14Å; P62-W109 HydrophobicContact CB-CE3 4.21Å; P62-W109 HydrophobicContact CB-CH2 4.49Å; P62-W109 HydrophobicContact CB-CZ2 4.44Å; P62-W109 HydrophobicContact CB-CZ3 4.37Å; P62-W109 HydrophobicContact CG-CD2 3.9Å; P62-W109 HydrophobicContact CG-CE3 4.45Å; P62-W109 HydrophobicContact CG-CG 3.97Å; F64-W109 HydrophobicContact CB-CE3 4.21Å; F64-W109 HydrophobicContact CB-CZ3 3.9Å; W109-V111 PolarHBondContact O-N 3.14Å; W109-H117 AromaticContact CD1-CG 3.5Å; W109-H117 VanDerWaalsContact CD1-CG 3.5Å; W109-H117 HydrophobicContact CG-CB 4.3Å; W109-H117 AromaticContact NE1-CG 3.54Å; W109-H117 AromaticContact NE1-ND1 3.59Å; W109-F121 HydrophobicContact CE3-CZ 4.47Å; W109-F121 HydrophobicContact CH2-CE1 4.16Å; W109-F121 HydrophobicContact CH2-CE2 4.1Å; W109-F121 AromaticContact CH2-CZ 3.39Å; W109-F121 HydrophobicContact CH2-CZ 3.39Å; W109-F121 AromaticContact CZ2-CE2 3.98Å; W109-F121 HydrophobicContact CZ2-CE2 3.98Å; W109-F121 AromaticContact CZ2-CZ 3.53Å; W109-F121 HydrophobicContact CZ2-CZ 3.53Å; W109-F121 HydrophobicContact CZ3-CE1 4.32Å; W109-F121 AromaticContact CZ3-CZ 3.9Å; W109-F121 HydrophobicContact CZ3-CZ 3.9Å; W109-F158 HydrophobicContact CH2-CB 4.31Å; W109-L162 HydrophobicContact CH2-CD1 4.14Å |
| 110 | D | 90.5 | Very high | 92.1 | Very high | 83 Ų | 83 | 58.9 Ų | 58.9 | 44% | 0.444 | 30% | 0.296 | S | S | . | . | P | Polyproline II helix | trans | -75.7 | 116.6 | 164.1 | -178 | -7.3 | 0 | 0 | 0 | 108.6 | K112 H113 V114 | D110-K112 PolarHBondContact O-N 2.92Å; D110-K112 VanDerWaalsContact O-N 3.1Å; D110-K112 PolarHBondContact OD1-N 2.7Å; D110-H113 HydrophobicContact CB-CB 4.27Å; D110-H113 CarbonylContact O-C 3.22Å; D110-H113 VanDerWaalsContact O-C 3.22Å; D110-H113 PolarHBondContact O-N 2.83Å; D110-H113 IonicContact OD2-CE1 3.88Å; D110-H113 IonicContact OD2-CG 3.74Å; D110-H113 IonicContact OD2-ND1 2.85Å; D110-H113 PolarHBondContact OD2-ND1 2.97Å; D110-V114 WeakPolarHBondContact O-CA 3.41Å; D110-V114 WeakPolarHBondContact O-CG2 3.45Å; D110-V114 PolarHBondContact O-N 3.11Å |
| 111 | V | 86 | Confident | 92.2 | Very high | 119 Ų | 119 | 58.8 Ų | 58.8 | 72% | 0.721 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | -31.1 | 179.2 | -178.2 | 0 | 0 | 0 | 0 | 112.2 | W109 | W109-V111 PolarHBondContact O-N 3.14Š|
| 112 | K | 88.7 | Confident | 92.4 | Very high | 177 Ų | 177 | 59.8 Ų | 59.8 | 77% | 0.77 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | -25.3 | 179.3 | -65.2 | -177.5 | -178.8 | 179.3 | 0 | 113.2 | D110 | D110-K112 PolarHBondContact O-N 2.92Å; D110-K112 VanDerWaalsContact O-N 3.1Å; D110-K112 PolarHBondContact OD1-N 2.7Å |
| 113 | H | 90.7 | Very high | 92.7 | Very high | 84 Ų | 84 | 59.4 Ų | 59.4 | 39% | 0.389 | 30% | 0.297 | S | S | . | . | trans | -132.8 | 48.1 | -172.3 | -52.5 | 105.1 | 0 | 0 | 0 | 111.1 | D110 N115 E116 | D110-H113 HydrophobicContact CB-CB 4.27Å; D110-H113 CarbonylContact O-C 3.22Å; D110-H113 VanDerWaalsContact O-C 3.22Å; D110-H113 PolarHBondContact O-N 2.83Å; D110-H113 IonicContact OD2-CE1 3.88Å; D110-H113 IonicContact OD2-CG 3.74Å; D110-H113 IonicContact OD2-ND1 2.85Å; D110-H113 PolarHBondContact OD2-ND1 2.97Å; H113-N115 PolarHBondContact O-N 3.47Å; H113-N115 VanDerWaalsContact O-N 3.08Å; H113-E116 HydrophobicContact CB-CB 4.11Å; H113-E116 HydrophobicContact CB-CG 3.95Å; H113-E116 IonicContact CD2-OE1 3.45Å; H113-E116 PolarHBondContact CD2-OE1 3.25Å; H113-E116 IonicContact CG-OE1 3.81Å; H113-E116 IonicContact CG-OE2 3.96Å; H113-E116 WeakPolarHBondContact O-CB 3.49Å; H113-E116 PolarHBondContact O-N 2.8Å | ||
| 114 | V | 89.8 | Confident | 93.1 | Very high | 18 Ų | 18 | 57.2 Ų | 57.2 | 11% | 0.109 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -52.8 | -37.5 | -175.3 | 175.4 | 0 | 0 | 0 | 0 | 112.1 | P62 D110 E116 H117 | P62-V114 HydrophobicContact CG-CG1 3.83Å; D110-V114 WeakPolarHBondContact O-CA 3.41Å; D110-V114 WeakPolarHBondContact O-CG2 3.45Å; D110-V114 PolarHBondContact O-N 3.11Å; V114-E116 VanDerWaalsContact C-N 3.3Å; V114-E116 PolarHBondContact O-N 2.81Å; V114-H117 WeakPolarHBondContact O-CB 3.33Å; V114-H117 PolarHBondContact O-N 2.98Å |
| 115 | N | 88 | Confident | 93.3 | Very high | 124 Ų | 124 | 55.4 Ų | 55.4 | 66% | 0.663 | 27% | 0.272 | S | S | * | . | G | 310 helix | trans | -74.2 | -15.3 | -178.9 | -70.3 | -37.1 | 0 | 0 | 0 | 114.5 | H113 H117 | H113-N115 PolarHBondContact O-N 3.47Å; H113-N115 VanDerWaalsContact O-N 3.08Å; N115-H117 VanDerWaalsContact C-N 3.3Å |
| 116 | E | 90.6 | Very high | 93.5 | Very high | 138 Ų | 138 | 46.5 Ų | 46.5 | 65% | 0.645 | 23% | 0.233 | S | C | * | . | G | 310 helix | trans | -83.8 | -8.2 | 176.2 | -62.3 | -179.6 | -165.4 | 0 | 0 | 112.3 | H113 V114 | H113-E116 HydrophobicContact CB-CB 4.11Å; H113-E116 HydrophobicContact CB-CG 3.95Å; H113-E116 IonicContact CD2-OE1 3.45Å; H113-E116 PolarHBondContact CD2-OE1 3.25Å; H113-E116 IonicContact CG-OE1 3.81Å; H113-E116 IonicContact CG-OE2 3.96Å; H113-E116 WeakPolarHBondContact O-CB 3.49Å; H113-E116 PolarHBondContact O-N 2.8Å; V114-E116 VanDerWaalsContact C-N 3.3Å; V114-E116 PolarHBondContact O-N 2.81Å |
| 117 | H | 94.5 | Very high | 93.6 | Very high | 15 Ų | 15 | 43.7 Ų | 43.7 | 7% | 0.069 | 21% | 0.214 | C | C | . | . | trans | -61.2 | 128.5 | 175.9 | -170.7 | -93.4 | 0 | 0 | 0 | 110.4 | Q107 W109 V114 N115 G119 F121 | Q107-H117 PolarHBondContact O-NE2 2.94Å; W109-H117 AromaticContact CD1-CG 3.5Å; W109-H117 VanDerWaalsContact CD1-CG 3.5Å; W109-H117 HydrophobicContact CG-CB 4.3Å; W109-H117 AromaticContact NE1-CG 3.54Å; W109-H117 AromaticContact NE1-ND1 3.59Å; V114-H117 WeakPolarHBondContact O-CB 3.33Å; V114-H117 PolarHBondContact O-N 2.98Å; N115-H117 VanDerWaalsContact C-N 3.3Å; H117-G119 PolarHBondContact ND1-N 2.8Å; H117-G119 VanDerWaalsContact ND1-N 3.11Å; H117-G119 PolarHBondContact O-N 2.71Å; H117-F121 AromaticContact CE1-CE2 3.52Å; H117-F121 AromaticContact CE1-CZ 3.39Å; H117-F121 WeakPolarHBondContact CE1-CZ 3.39Å | ||
| 118 | P | 95.2 | Very high | 93.3 | Very high | 10 Ų | 10 | 44.1 Ų | 44.1 | 7% | 0.065 | 22% | 0.216 | C | C | . | . | trans | -71.7 | -0.7 | -174.1 | 27.4 | -34.3 | 0 | 0 | 0 | 114 | K18 Q21 L22 K27 F28 I120 | K18-P118 HydrophobicContact CD-CG 4.5Å; K18-P118 HydrophobicContact CG-CG 4.12Å; Q21-P118 HydrophobicContact CB-CB 4.28Å; L22-P118 HydrophobicContact CD2-CB 4.01Å; L22-P118 HydrophobicContact CD2-CG 3.98Å; L22-P118 HydrophobicContact CG-CB 4.15Å; L22-P118 HydrophobicContact CG-CG 4.23Å; K27-P118 CarbonylContact C-O 3.48Å; K27-P118 WeakPolarHBondContact CA-O 3.47Å; F28-P118 WeakPolarHBondContact CB-O 3.47Å; F28-P118 PolarHBondContact N-O 2.72Å; P118-I120 VanDerWaalsContact C-N 3.28Å; P118-I120 HydrophobicContact CB-CG2 4.07Å; P118-I120 HydrophobicContact CG-CG2 3.94Å; P118-I120 PolarHBondContact O-N 2.93Å | ||
| 119 | G | 96 | Very high | 93.1 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | trans | 65.2 | 26.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | H117 D137 D138 | H117-G119 PolarHBondContact ND1-N 2.8Å; H117-G119 VanDerWaalsContact ND1-N 3.11Å; H117-G119 PolarHBondContact O-N 2.71Å; G119-D137 CarbonylContact O-C 3.57Å; G119-D137 VanDerWaalsContact O-CA 3.25Å; G119-D137 WeakPolarHBondContact O-CA 3.16Å; G119-D138 WeakPolarHBondContact CA-OD2 3.31Å; G119-D138 PolarHBondContact O-N 2.83Å; G119-D138 VanDerWaalsContact O-N 3.08Å | ||
| 120 | I | 97.3 | Very high | 93 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 134.5 | -178.1 | -171.7 | 172.6 | 0 | 0 | 0 | 110.3 | Y14 L17 K18 F28 P118 T135 I136 | Y14-I120 HydrophobicContact CD2-CD1 4.08Å; Y14-I120 HydrophobicContact CD2-CG1 3.92Å; Y14-I120 HydrophobicContact CE2-CG1 4.1Å; Y14-I120 HydrophobicContact CE2-CG2 4.08Å; L17-I120 HydrophobicContact CB-CD1 3.61Å; K18-I120 HydrophobicContact CB-CD1 4.48Å; K18-I120 HydrophobicContact CB-CG2 3.84Å; K18-I120 HydrophobicContact CD-CG2 4.23Å; K18-I120 HydrophobicContact CG-CG2 3.91Å; F28-I120 HydrophobicContact CB-CB 3.71Å; F28-I120 HydrophobicContact CB-CD1 4.42Å; F28-I120 HydrophobicContact CB-CG1 4.31Å; F28-I120 HydrophobicContact CD1-CB 3.79Å; F28-I120 HydrophobicContact CD1-CD1 3.78Å; F28-I120 HydrophobicContact CD1-CG1 3.52Å; F28-I120 HydrophobicContact CD2-CD1 4.14Å; F28-I120 HydrophobicContact CE1-CD1 4.03Å; F28-I120 HydrophobicContact CE1-CG1 3.98Å; F28-I120 HydrophobicContact CE2-CD1 4.38Å; F28-I120 HydrophobicContact CG-CB 3.92Å; F28-I120 HydrophobicContact CG-CD1 3.85Å; F28-I120 HydrophobicContact CG-CG1 3.94Å; F28-I120 HydrophobicContact CZ-CD1 4.33Å; P118-I120 VanDerWaalsContact C-N 3.28Å; P118-I120 HydrophobicContact CB-CG2 4.07Å; P118-I120 HydrophobicContact CG-CG2 3.94Å; P118-I120 PolarHBondContact O-N 2.93Å; I120-T135 HydrophobicContact CD1-CG2 3.66Å; I120-T135 HydrophobicContact CG1-CG2 3.7Å; I120-I136 WeakPolarHBondContact CA-O 3.08Å |
| 121 | F | 97.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 157.2 | -179.4 | -68 | -94.3 | 0 | 0 | 0 | 110.8 | F64 Q107 W109 H117 F123 T135 I136 D138 L162 | F64-F121 HydrophobicContact CB-CE1 4.28Å; F64-F121 HydrophobicContact CD1-CE1 4.38Å; F64-F121 HydrophobicContact CD2-CD1 4Å; F64-F121 AromaticContact CD2-CE1 3.75Å; F64-F121 HydrophobicContact CD2-CE1 3.75Å; F64-F121 HydrophobicContact CE1-CD1 4.48Å; F64-F121 AromaticContact CE2-CD1 3.9Å; F64-F121 HydrophobicContact CE2-CD1 3.9Å; F64-F121 HydrophobicContact CE2-CE1 4.14Å; F64-F121 HydrophobicContact CG-CD1 4.36Å; F64-F121 AromaticContact CG-CE1 3.9Å; F64-F121 HydrophobicContact CG-CE1 3.9Å; F64-F121 HydrophobicContact CZ-CD1 4.14Å; Q107-F121 HydrophobicContact CB-CD1 4.1Å; Q107-F121 HydrophobicContact CB-CE1 4.21Å; Q107-F121 VanDerWaalsContact O-CE1 3.22Å; Q107-F121 WeakPolarHBondContact O-CE1 2.94Å; W109-F121 HydrophobicContact CE3-CZ 4.47Å; W109-F121 HydrophobicContact CH2-CE1 4.16Å; W109-F121 HydrophobicContact CH2-CE2 4.1Å; W109-F121 AromaticContact CH2-CZ 3.39Å; W109-F121 HydrophobicContact CH2-CZ 3.39Å; W109-F121 AromaticContact CZ2-CE2 3.98Å; W109-F121 HydrophobicContact CZ2-CE2 3.98Å; W109-F121 AromaticContact CZ2-CZ 3.53Å; W109-F121 HydrophobicContact CZ2-CZ 3.53Å; W109-F121 HydrophobicContact CZ3-CE1 4.32Å; W109-F121 AromaticContact CZ3-CZ 3.9Å; W109-F121 HydrophobicContact CZ3-CZ 3.9Å; H117-F121 AromaticContact CE1-CE2 3.52Å; H117-F121 AromaticContact CE1-CZ 3.39Å; H117-F121 WeakPolarHBondContact CE1-CZ 3.39Å; F121-F123 HydrophobicContact CB-CE2 3.93Å; F121-T135 CarbonylContact O-C 3.55Å; F121-T135 WeakPolarHBondContact O-CA 3.24Å; F121-I136 HydrophobicContact CB-CG1 4.02Å; F121-I136 PolarHBondContact N-O 2.75Å; F121-I136 PolarHBondContact O-N 2.88Å; F121-D138 HydrophobicContact CD2-CB 3.89Å; F121-D138 HydrophobicContact CE2-CB 3.57Å; F121-L162 HydrophobicContact CD1-CD1 3.92Å; F121-L162 HydrophobicContact CD2-CD1 4.15Å; F121-L162 HydrophobicContact CD2-CD2 4.19Å; F121-L162 HydrophobicContact CE1-CD1 3.83Å; F121-L162 HydrophobicContact CE2-CD1 4.09Å; F121-L162 HydrophobicContact CG-CD1 4.09Å; F121-L162 HydrophobicContact CZ-CD1 3.93Å |
| 122 | R | 96.9 | Very high | 93.6 | Very high | 22 Ų | 22 | 38.5 Ų | 38.5 | 8% | 0.083 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 144.8 | 171.5 | 64 | 163 | 177 | -157.9 | -2.6 | 112.4 | Y14 V102 D103 Q107 E133 V134 | Y14-R122 VanDerWaalsContact CD1-CD 3.47Å; Y14-R122 HydrophobicContact CD1-CG 3.93Å; Y14-R122 HydrophobicContact CD2-CB 3.72Å; Y14-R122 HydrophobicContact CD2-CG 3.82Å; Y14-R122 HydrophobicContact CE1-CG 4.09Å; Y14-R122 HydrophobicContact CE2-CB 4.27Å; Y14-R122 HydrophobicContact CE2-CG 4.02Å; Y14-R122 HydrophobicContact CG-CB 3.86Å; Y14-R122 HydrophobicContact CG-CG 3.77Å; V102-R122 HydrophobicContact CG2-CG 3.85Å; D103-R122 IonicContact OD2-CZ 2.77Å; D103-R122 IonicContact OD2-NH2 2.69Å; D103-R122 PolarHBondContact OD2-NH2 3.49Å; Q107-R122 PolarHBondContact NE2-O 2.61Å; R122-E133 HydrophobicContact CB-CG 4.27Å; R122-E133 IonicContact CZ-OE2 3.91Å; R122-E133 IonicContact NH1-OE1 2.64Å; R122-E133 PolarHBondContact NH1-OE1 2.79Å; R122-E133 IonicContact NH1-OE2 2.64Å; R122-E133 PolarHBondContact NH1-OE2 2.6Å; R122-V134 VanDerWaalsContact CA-O 3.3Å; R122-V134 WeakPolarHBondContact CA-O 3.44Å |
| 123 | F | 97.6 | Very high | 94 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 157.6 | 175.4 | -59.7 | -92 | 0 | 0 | 0 | 109.5 | F64 V100 L101 F121 F125 E133 V134 I136 L162 L163 A166 | F64-F123 AromaticContact CE2-CE1 3.98Å; F64-F123 HydrophobicContact CE2-CE1 3.98Å; F64-F123 AromaticContact CE2-CZ 3.7Å; F64-F123 HydrophobicContact CE2-CZ 3.7Å; F64-F123 AromaticContact CZ-CE1 3.7Å; F64-F123 HydrophobicContact CZ-CE1 3.7Å; F64-F123 AromaticContact CZ-CZ 3.73Å; F64-F123 HydrophobicContact CZ-CZ 3.73Å; V100-F123 CarbonylContact O-C 3.51Å; V100-F123 WeakPolarHBondContact O-CA 3.35Å; L101-F123 HydrophobicContact CD2-CE1 4.21Å; L101-F123 HydrophobicContact CG-CD1 4.02Å; L101-F123 HydrophobicContact CG-CE1 3.9Å; F121-F123 HydrophobicContact CB-CE2 3.93Å; F123-F125 HydrophobicContact CB-CE2 3.78Å; F123-F125 HydrophobicContact CB-CZ 4.21Å; F123-E133 CarbonylContact O-C 3.51Å; F123-E133 WeakPolarHBondContact O-CA 3.49Å; F123-V134 PolarHBondContact N-O 3.36Å; F123-V134 PolarHBondContact O-N 2.87Å; F123-I136 HydrophobicContact CD2-CD1 4.44Å; F123-I136 HydrophobicContact CD2-CG1 4.47Å; F123-I136 HydrophobicContact CE2-CD1 3.87Å; F123-I136 HydrophobicContact CE2-CG1 4.15Å; F123-L162 HydrophobicContact CE2-CB 4.07Å; F123-L162 HydrophobicContact CZ-CB 3.65Å; F123-L163 HydrophobicContact CB-CD1 4.26Å; F123-L163 HydrophobicContact CD1-CB 4.31Å; F123-L163 HydrophobicContact CD1-CD1 3.43Å; F123-L163 VanDerWaalsContact CD1-CD1 3.43Å; F123-L163 HydrophobicContact CD1-CG 4.46Å; F123-L163 HydrophobicContact CE1-CB 3.95Å; F123-L163 HydrophobicContact CE1-CD1 3.96Å; F123-L163 HydrophobicContact CG-CD1 3.98Å; F123-L163 HydrophobicContact CZ-CB 4.46Å; F123-A166 HydrophobicContact CB-CB 4.11Å; F123-A166 HydrophobicContact CD2-CB 3.39Å; F123-A166 HydrophobicContact CE2-CB 4.03Å; F123-A166 HydrophobicContact CG-CB 3.91Å |
| 124 | R | 97 | Very high | 94.3 | Very high | 48 Ų | 48 | 26 Ų | 26 | 18% | 0.181 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 132.1 | 172.3 | -62.6 | -176.6 | -178.1 | 152.7 | 2.6 | 111.7 | K99 V100 V102 F132 E133 | K99-R124 WeakPolarHBondContact O-CB 3.48Å; V100-R124 WeakPolarHBondContact CA-O 3.28Å; V100-R124 WeakPolarHBondContact CG1-O 3.34Å; V100-R124 PolarHBondContact O-N 2.99Å; V102-R124 HydrophobicContact CG1-CG 4.05Å; R124-F132 VanDerWaalsContact CA-O 3.23Å; R124-F132 WeakPolarHBondContact CA-O 3.33Å; R124-E133 HydrophobicContact CG-CB 4.31Å; R124-E133 HydrophobicContact CG-CG 4.41Å; R124-E133 IonicContact CZ-OE2 2.95Å; R124-E133 IonicContact NE-OE2 3.64Å; R124-E133 PolarHBondContact NE-OE2 2.95Å; R124-E133 IonicContact NH2-OE2 3.82Å; R124-E133 PolarHBondContact NH2-OE2 3Å |
| 125 | F | 97.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 143 | 174.3 | -59.7 | -90.2 | 0 | 0 | 0 | 108.7 | F123 Y131 F132 V134 L163 A166 Y167 L170 D188 L189 | F123-F125 HydrophobicContact CB-CE2 3.78Å; F123-F125 HydrophobicContact CB-CZ 4.21Å; F125-Y131 CarbonylContact O-C 3.46Å; F125-Y131 VanDerWaalsContact O-CA 3.27Å; F125-Y131 WeakPolarHBondContact O-CA 3.38Å; F125-F132 PolarHBondContact N-O 2.94Å; F125-F132 PolarHBondContact O-N 3.32Å; F125-V134 HydrophobicContact CD2-CB 4.38Å; F125-V134 HydrophobicContact CD2-CG2 3.78Å; F125-V134 HydrophobicContact CE2-CB 4.25Å; F125-V134 HydrophobicContact CE2-CG2 4.07Å; F125-L163 HydrophobicContact CE1-CD1 3.93Å; F125-L163 HydrophobicContact CZ-CD1 3.64Å; F125-A166 HydrophobicContact CE2-CB 3.93Å; F125-A166 HydrophobicContact CZ-CB 4.06Å; F125-Y167 AromaticContact CD1-CD2 3.76Å; F125-Y167 HydrophobicContact CD1-CD2 3.76Å; F125-Y167 HydrophobicContact CD1-CE2 4.26Å; F125-Y167 AromaticContact CE1-CD2 3.58Å; F125-Y167 HydrophobicContact CE1-CD2 3.58Å; F125-Y167 HydrophobicContact CE1-CE2 4.43Å; F125-Y167 AromaticContact CE1-CG 3.89Å; F125-Y167 HydrophobicContact CE1-CG 3.89Å; F125-Y167 HydrophobicContact CG-CD2 4.49Å; F125-Y167 HydrophobicContact CZ-CD2 4.17Å; F125-Y167 HydrophobicContact CZ-CG 4.34Å; F125-L170 HydrophobicContact CB-CD2 3.45Å; F125-L170 VanDerWaalsContact CB-CD2 3.45Å; F125-L170 HydrophobicContact CD1-CD2 4.29Å; F125-L170 HydrophobicContact CD2-CD2 3.77Å; F125-L170 HydrophobicContact CG-CD2 3.58Å; F125-D188 CarbonylContact C-O 3.6Å; F125-D188 WeakPolarHBondContact CA-O 3.3Å; F125-L189 HydrophobicContact CD1-CD2 3.86Å; F125-L189 HydrophobicContact CE1-CD2 3.62Å |
| 126 | W | 95 | Very high | 95.2 | Very high | 16 Ų | 16 | 19.3 Ų | 19.3 | 6% | 0.061 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 125.6 | 170.6 | -175.9 | 90.6 | 0 | 0 | 0 | 108.4 | G129 M130 Y131 M187 D188 G191 L518 R520 | W126-G129 VanDerWaalsContact CZ2-CA 3.46Å; W126-M130 CarbonylContact C-O 3.49Å; W126-M130 VanDerWaalsContact CA-O 3.32Å; W126-M130 WeakPolarHBondContact CA-O 3.32Å; W126-Y131 HydrophobicContact CB-CD1 4.12Å; W126-Y131 HydrophobicContact CB-CE1 3.93Å; W126-Y131 AromaticContact CD1-CE2 3.74Å; W126-Y131 AromaticContact CD1-CZ 3.75Å; W126-Y131 HydrophobicContact CG-CE1 4.43Å; W126-M187 HydrophobicContact CE3-CG 3.85Å; W126-M187 HydrophobicContact CH2-SD 4.44Å; W126-M187 HydrophobicContact CZ3-CG 3.53Å; W126-M187 HydrophobicContact CZ3-SD 3.68Å; W126-D188 PolarHBondContact N-O 3.1Å; W126-D188 CarbonylContact O-C 3.36Å; W126-D188 WeakPolarHBondContact O-CA 3.25Å; W126-G191 VanDerWaalsContact CG-CA 3.5Å; W126-L518 HydrophobicContact CH2-CD2 3.87Å; W126-L518 HydrophobicContact CZ2-CD2 4.08Å; W126-R520 VanDerWaalsContact CH2-CZ 3.49Å |
| 127 | Q | 93.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 6% | 0.064 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 128.9 | 168.2 | -73.8 | -176.4 | -29.7 | 0 | 0 | 108.5 | G129 M130 F132 L170 D188 | Q127-G129 VanDerWaalsContact C-N 3.28Å; Q127-G129 PolarHBondContact O-N 2.94Å; Q127-G129 VanDerWaalsContact O-N 3.16Å; Q127-M130 PolarHBondContact N-O 3.22Å; Q127-M130 PolarHBondContact O-N 2.8Å; Q127-F132 HydrophobicContact CB-CD2 3.98Å; Q127-F132 HydrophobicContact CB-CE2 3.82Å; Q127-L170 HydrophobicContact CG-CD2 4.41Å; Q127-D188 HydrophobicContact CG-CB 4.41Å; Q127-D188 PolarHBondContact NE2-OD2 3.35Å |
| 128 | E | 89.4 | Confident | 95.6 | Very high | 8 Ų | 8 | 12.3 Ų | 12.3 | 4% | 0.037 | 6% | 0.061 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.5 | 35.4 | 165.9 | -59.5 | 158.1 | -176.5 | 0 | 0 | 114.4 | H395 K437 Y438 R440 R489 | E128-H395 PolarHBondContact O-CE1 2.74Å; E128-K437 HydrophobicContact CB-CD 4.45Å; E128-K437 HydrophobicContact CB-CG 4.16Å; E128-K437 HydrophobicContact CG-CB 4.21Å; E128-K437 HydrophobicContact CG-CG 3.9Å; E128-K437 VanDerWaalsContact OE1-CA 3.28Å; E128-K437 WeakPolarHBondContact OE1-CA 3.27Å; E128-Y438 WeakPolarHBondContact OE1-CD2 3.41Å; E128-Y438 PolarHBondContact OE1-N 3.3Å; E128-R440 IonicContact OE1-NH2 3.05Å; E128-R440 IonicContact OE2-CZ 2.98Å; E128-R440 IonicContact OE2-NE 2.64Å; E128-R440 PolarHBondContact OE2-NE 3.04Å; E128-R440 VanDerWaalsContact OE2-NE 3.14Å; E128-R440 IonicContact OE2-NH2 2.95Å; E128-R440 PolarHBondContact OE2-NH2 2.89Å; E128-R489 IonicContact OE1-CZ 3.11Å; E128-R489 IonicContact OE1-NH1 2.81Å; E128-R489 PolarHBondContact OE1-NH1 2.84Å; E128-R489 IonicContact OE1-NH2 3.42Å; E128-R489 PolarHBondContact OE1-NH2 3.5Å; E128-R489 VanDerWaalsContact OE1-NH2 3.07Å |
| 129 | G | 90.3 | Very high | 95.6 | Very high | 26 Ų | 26 | 14.1 Ų | 14.1 | 27% | 0.268 | 7% | 0.069 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 94.6 | -3.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | W126 Q127 | W126-G129 VanDerWaalsContact CZ2-CA 3.46Å; Q127-G129 VanDerWaalsContact C-N 3.28Å; Q127-G129 PolarHBondContact O-N 2.94Å; Q127-G129 VanDerWaalsContact O-N 3.16Å |
| 130 | M | 91.5 | Very high | 95.6 | Very high | 71 Ų | 71 | 14.1 Ų | 14.1 | 35% | 0.35 | 7% | 0.069 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 149.2 | -174.1 | -56.2 | -175.5 | -59.1 | 0 | 0 | 111.4 | V7 W126 Q127 F132 | V7-M130 HydrophobicContact CG2-CB 4.47Å; V7-M130 HydrophobicContact CG2-SD 4.13Å; W126-M130 CarbonylContact C-O 3.49Å; W126-M130 VanDerWaalsContact CA-O 3.32Å; W126-M130 WeakPolarHBondContact CA-O 3.32Å; Q127-M130 PolarHBondContact N-O 3.22Å; Q127-M130 PolarHBondContact O-N 2.8Å; M130-F132 HydrophobicContact CB-CE2 4.18Å; M130-F132 HydrophobicContact CE-CE1 4.47Å; M130-F132 HydrophobicContact CE-CE2 3.89Å; M130-F132 HydrophobicContact CE-CZ 3.51Å |
| 131 | Y | 94 | Very high | 95.5 | Very high | 51 Ų | 51 | 14.1 Ų | 14.1 | 20% | 0.2 | 7% | 0.069 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 126.4 | 167.6 | -73.5 | -87.3 | 0 | 0 | 0 | 109.7 | F6 V7 F125 W126 | F6-Y131 CarbonylContact C-O 3.56Å; F6-Y131 WeakPolarHBondContact CA-O 3.41Å; F6-Y131 WeakPolarHBondContact CB-O 3.32Å; V7-Y131 PolarHBondContact N-O 2.82Å; F125-Y131 CarbonylContact O-C 3.46Å; F125-Y131 VanDerWaalsContact O-CA 3.27Å; F125-Y131 WeakPolarHBondContact O-CA 3.38Å; W126-Y131 HydrophobicContact CB-CD1 4.12Å; W126-Y131 HydrophobicContact CB-CE1 3.93Å; W126-Y131 AromaticContact CD1-CE2 3.74Å; W126-Y131 AromaticContact CD1-CZ 3.75Å; W126-Y131 HydrophobicContact CG-CE1 4.43Å |
| 132 | F | 95.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 7% | 0.069 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 121.4 | 173 | -71.9 | -89.1 | 0 | 0 | 0 | 109.6 | V7 F9 R124 F125 Q127 M130 L170 M445 | V7-F132 HydrophobicContact CB-CD1 3.94Å; V7-F132 HydrophobicContact CB-CE1 4.01Å; V7-F132 HydrophobicContact CG1-CD1 4.09Å; V7-F132 HydrophobicContact CG1-CE1 3.92Å; V7-F132 CarbonylContact O-C 3.55Å; V7-F132 WeakPolarHBondContact O-CA 3.42Å; F9-F132 HydrophobicContact CD2-CD1 4.19Å; R124-F132 VanDerWaalsContact CA-O 3.23Å; R124-F132 WeakPolarHBondContact CA-O 3.33Å; F125-F132 PolarHBondContact N-O 2.94Å; F125-F132 PolarHBondContact O-N 3.32Å; Q127-F132 HydrophobicContact CB-CD2 3.98Å; Q127-F132 HydrophobicContact CB-CE2 3.82Å; M130-F132 HydrophobicContact CB-CE2 4.18Å; M130-F132 HydrophobicContact CE-CE1 4.47Å; M130-F132 HydrophobicContact CE-CE2 3.89Å; M130-F132 HydrophobicContact CE-CZ 3.51Å; F132-L170 HydrophobicContact CB-CD1 4.16Å; F132-L170 HydrophobicContact CG-CD1 4.29Å; F132-M445 HydrophobicContact CE1-CB 3.75Å; F132-M445 HydrophobicContact CE1-CG 4.07Å |
| 133 | E | 96.7 | Very high | 95 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 112.2 | 168.8 | -172.7 | 166.2 | 106.6 | 0 | 0 | 108.6 | F6 V7 F9 R122 F123 R124 | F6-E133 HydrophobicContact CD2-CB 3.49Å; F6-E133 VanDerWaalsContact CD2-CB 3.49Å; F6-E133 HydrophobicContact CD2-CG 4.34Å; F6-E133 HydrophobicContact CE2-CB 3.96Å; F6-E133 HydrophobicContact CE2-CG 4.36Å; F6-E133 HydrophobicContact CG-CB 4.26Å; V7-E133 PolarHBondContact O-N 2.85Å; F9-E133 WeakPolarHBondContact CB-O 3.44Å; F9-E133 PolarHBondContact N-O 3.46Å; R122-E133 HydrophobicContact CB-CG 4.27Å; R122-E133 IonicContact CZ-OE2 3.91Å; R122-E133 IonicContact NH1-OE1 2.64Å; R122-E133 PolarHBondContact NH1-OE1 2.79Å; R122-E133 IonicContact NH1-OE2 2.64Å; R122-E133 PolarHBondContact NH1-OE2 2.6Å; F123-E133 CarbonylContact O-C 3.51Å; F123-E133 WeakPolarHBondContact O-CA 3.49Å; R124-E133 HydrophobicContact CG-CB 4.31Å; R124-E133 HydrophobicContact CG-CG 4.41Å; R124-E133 IonicContact CZ-OE2 2.95Å; R124-E133 IonicContact NE-OE2 3.64Å; R124-E133 PolarHBondContact NE-OE2 2.95Å; R124-E133 IonicContact NH2-OE2 3.82Å; R124-E133 PolarHBondContact NH2-OE2 3Å |
| 134 | V | 97.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 114.7 | -178.7 | -176.2 | 0 | 0 | 0 | 0 | 108.1 | F9 R122 F123 F125 I136 A166 K169 L170 | F9-V134 HydrophobicContact CB-CG2 4.08Å; F9-V134 HydrophobicContact CD1-CG1 4.32Å; F9-V134 HydrophobicContact CD1-CG2 4.38Å; F9-V134 HydrophobicContact CG-CG2 4.3Å; R122-V134 VanDerWaalsContact CA-O 3.3Å; R122-V134 WeakPolarHBondContact CA-O 3.44Å; F123-V134 PolarHBondContact N-O 3.36Å; F123-V134 PolarHBondContact O-N 2.87Å; F125-V134 HydrophobicContact CD2-CB 4.38Å; F125-V134 HydrophobicContact CD2-CG2 3.78Å; F125-V134 HydrophobicContact CE2-CB 4.25Å; F125-V134 HydrophobicContact CE2-CG2 4.07Å; V134-I136 HydrophobicContact CG1-CG2 4.19Å; V134-A166 HydrophobicContact CG1-CB 4.23Å; V134-K169 HydrophobicContact CG1-CB 4.35Å; V134-K169 HydrophobicContact CG1-CD 3.9Å; V134-K169 HydrophobicContact CG1-CG 4.21Å; V134-L170 HydrophobicContact CG2-CB 4.18Å; V134-L170 HydrophobicContact CG2-CD1 4.02Å; V134-L170 HydrophobicContact CG2-CG 4.49Å |
| 135 | T | 97.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 135.9 | 174.4 | -57.5 | 0 | 0 | 0 | 0 | 109 | Y14 L17 F28 I120 F121 K169 | Y14-T135 HydrophobicContact CD2-CG2 4.35Å; L17-T135 HydrophobicContact CD1-CG2 4.26Å; F28-T135 HydrophobicContact CE1-CG2 4.14Å; F28-T135 HydrophobicContact CZ-CG2 4.45Å; I120-T135 HydrophobicContact CD1-CG2 3.66Å; I120-T135 HydrophobicContact CG1-CG2 3.7Å; F121-T135 CarbonylContact O-C 3.55Å; F121-T135 WeakPolarHBondContact O-CA 3.24Å; T135-K169 PolarHBondContact O-NZ 3.47Å |
| 136 | I | 97.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 158.9 | 175.3 | 60.9 | 164.8 | 0 | 0 | 0 | 110.8 | I120 F121 F123 V134 L162 K165 A166 K169 | I120-I136 WeakPolarHBondContact CA-O 3.08Å; F121-I136 HydrophobicContact CB-CG1 4.02Å; F121-I136 PolarHBondContact N-O 2.75Å; F121-I136 PolarHBondContact O-N 2.88Å; F123-I136 HydrophobicContact CD2-CD1 4.44Å; F123-I136 HydrophobicContact CD2-CG1 4.47Å; F123-I136 HydrophobicContact CE2-CD1 3.87Å; F123-I136 HydrophobicContact CE2-CG1 4.15Å; V134-I136 HydrophobicContact CG1-CG2 4.19Å; I136-L162 HydrophobicContact CD1-CB 4.28Å; I136-L162 HydrophobicContact CD1-CD2 4.15Å; I136-L162 WeakPolarHBondContact CD1-O 3.17Å; I136-K165 HydrophobicContact CD1-CB 4.05Å; I136-K165 HydrophobicContact CD1-CD 4.12Å; I136-K165 HydrophobicContact CD1-CG 4.15Å; I136-A166 HydrophobicContact CD1-CB 4.12Å; I136-A166 HydrophobicContact CG2-CB 4.11Å; I136-K169 HydrophobicContact CG2-CB 4.48Å; I136-K169 HydrophobicContact CG2-CD 3.73Å |
| 137 | D | 97.4 | Very high | 93.2 | Very high | 6 Ų | 6 | 30.5 Ų | 30.5 | 3% | 0.032 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 169.1 | 159.5 | 73.2 | 34.6 | 0 | 0 | 0 | 111.9 | F28 V29 D30 G119 M139 K165 | F28-D137 HydrophobicContact CD1-CB 3.66Å; F28-D137 HydrophobicContact CE1-CB 4.24Å; F28-D137 HydrophobicContact CG-CB 4.47Å; F28-D137 WeakPolarHBondContact O-CB 3.48Å; V29-D137 WeakPolarHBondContact CA-OD2 3.49Å; D30-D137 HydrophobicContact CB-CB 4.06Å; D30-D137 WeakPolarHBondContact CB-OD2 3.24Å; D30-D137 PolarHBondContact N-OD2 2.82Å; G119-D137 CarbonylContact O-C 3.57Å; G119-D137 VanDerWaalsContact O-CA 3.25Å; G119-D137 WeakPolarHBondContact O-CA 3.16Å; D137-M139 VanDerWaalsContact OD1-CB 3.29Å; D137-M139 WeakPolarHBondContact OD1-CB 3.3Å; D137-M139 PolarHBondContact OD1-N 3.02Å; D137-K165 PolarHBondContact O-NZ 2.89Å; D137-K165 IonicContact OD1-NZ 3.74Å; D137-K165 PolarHBondContact OD1-NZ 3.42Å |
| 138 | D | 96.3 | Very high | 93.1 | Very high | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -93.3 | 16.4 | 177 | 67.5 | -5.1 | 0 | 0 | 0 | 115.1 | R54 P55 G119 F121 L140 L162 | R54-D138 VanDerWaalsContact CD-OD1 3.27Å; R54-D138 WeakPolarHBondContact CD-OD1 3.36Å; R54-D138 WeakPolarHBondContact CG-OD1 3.29Å; R54-D138 IonicContact CZ-OD1 3.15Å; R54-D138 IonicContact NE-OD1 3.64Å; R54-D138 IonicContact NH1-OD1 2.76Å; R54-D138 PolarHBondContact NH1-OD1 2.77Å; P55-D138 WeakPolarHBondContact CD-O 3.31Å; P55-D138 HydrophobicContact CG-CB 4.28Å; G119-D138 WeakPolarHBondContact CA-OD2 3.31Å; G119-D138 PolarHBondContact O-N 2.83Å; G119-D138 VanDerWaalsContact O-N 3.08Å; F121-D138 HydrophobicContact CD2-CB 3.89Å; F121-D138 HydrophobicContact CE2-CB 3.57Å; D138-L140 PolarHBondContact O-N 2.92Å; D138-L140 VanDerWaalsContact O-N 3.11Å; D138-L162 HydrophobicContact CB-CD2 3.97Å |
| 139 | M | 96 | Very high | 93.2 | Very high | 47 Ų | 47 | 30.5 Ų | 30.5 | 23% | 0.232 | 16% | 0.16 | C | C | . | . | trans | -73.4 | 101.5 | 172.9 | -64.2 | -74.6 | -72.6 | 0 | 0 | 109.5 | Y52 R54 D137 K165 | Y52-M139 WeakPolarHBondContact O-CE 3.28Å; R54-M139 HydrophobicContact CG-CG 4.34Å; R54-M139 HydrophobicContact CG-SD 3.44Å; R54-M139 WeakPolarHBondContact CG-SD 3.33Å; R54-M139 PolarHBondContact NE-SD 2.99Å; R54-M139 VanDerWaalsContact NE-SD 3.43Å; D137-M139 VanDerWaalsContact OD1-CB 3.29Å; D137-M139 WeakPolarHBondContact OD1-CB 3.3Å; D137-M139 PolarHBondContact OD1-N 3.02Å; M139-K165 PolarHBondContact O-NZ 3.15Å | ||
| 140 | L | 95.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 140.6 | -177.9 | -66 | 172.7 | 0 | 0 | 0 | 110.7 | Y52 L53 P55 D138 C142 F158 A161 L162 K165 | Y52-L140 WeakPolarHBondContact CA-O 3.15Å; L53-L140 PolarHBondContact N-O 2.73Å; L53-L140 PolarHBondContact O-N 2.93Å; P55-L140 HydrophobicContact CG-CD1 4.2Å; D138-L140 PolarHBondContact O-N 2.92Å; D138-L140 VanDerWaalsContact O-N 3.11Å; L140-C142 PolarHBondContact O-N 2.82Å; L140-F158 HydrophobicContact CD1-CD1 3.72Å; L140-F158 HydrophobicContact CD1-CE1 4.25Å; L140-A161 HydrophobicContact CD1-CB 3.75Å; L140-A161 HydrophobicContact CD2-CB 4.01Å; L140-L162 HydrophobicContact CD2-CD2 4.14Å; L140-K165 HydrophobicContact CD2-CD 4.17Å |
| 141 | P | 94.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 134.5 | 174.9 | 29.3 | -33.8 | 0 | 0 | 0 | 110.4 | L40 Y52 I148 | L40-P141 HydrophobicContact CD1-CB 3.57Å; L40-P141 HydrophobicContact CD1-CG 4.2Å; L40-P141 HydrophobicContact CD2-CG 4.45Å; Y52-P141 HydrophobicContact CD1-CB 4.35Å; Y52-P141 HydrophobicContact CE1-CB 4.11Å; P141-I148 HydrophobicContact CB-CD1 3.96Å; P141-I148 HydrophobicContact CB-CG1 3.85Å; P141-I148 HydrophobicContact CG-CD1 4.25Å; P141-I148 HydrophobicContact CG-CG1 3.83Å; P141-I148 WeakPolarHBondContact O-CG1 3.41Å; P141-I148 PolarHBondContact O-N 2.71Å |
| 142 | C | 93.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 142.6 | -177.2 | -70.1 | 0 | 0 | 0 | 0 | 110.7 | L50 S51 L53 L140 K146 | L50-C142 WeakPolarHBondContact CD2-O 3.09Å; S51-C142 PolarHBondContact N-O 2.97Å; S51-C142 PolarHBondContact O-N 2.84Å; S51-C142 WeakPolarHBondContact OG-CB 3.36Å; L53-C142 HydrophobicContact CD1-CB 4.11Å; L53-C142 HydrophobicContact CG-CB 4.27Å; L140-C142 PolarHBondContact O-N 2.82Å; C142-K146 CarbonylContact C-O 3.58Å; C142-K146 WeakPolarHBondContact CA-O 3.32Å; C142-K146 WeakPolarHBondContact CB-O 3.4Å |
| 143 | Y | 90.2 | Very high | 92.2 | Very high | 36 Ų | 36 | 28.6 Ų | 28.6 | 14% | 0.141 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 126.6 | 171.5 | 178.4 | -93.6 | 0 | 0 | 0 | 108 | I45 P46 G145 K146 | I45-Y143 HydrophobicContact CG2-CD2 3.83Å; I45-Y143 HydrophobicContact CG2-CE2 4.45Å; I45-Y143 HydrophobicContact CG2-CG 4.22Å; P46-Y143 HydrophobicContact CB-CE1 4.33Å; P46-Y143 HydrophobicContact CB-CE2 4.17Å; P46-Y143 HydrophobicContact CG-CE1 4.5Å; P46-Y143 WeakPolarHBondContact O-CE2 3.13Å; Y143-G145 PolarHBondContact O-N 2.99Å; Y143-G145 VanDerWaalsContact O-N 3.16Å; Y143-K146 PolarHBondContact N-O 3.44Å; Y143-K146 PolarHBondContact O-N 2.8Å |
| 144 | E | 87.7 | Confident | 91.6 | Very high | 153 Ų | 153 | 29.6 Ų | 29.6 | 72% | 0.715 | 16% | 0.164 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.8 | 37.9 | -175.5 | -66.7 | 176.1 | -172.1 | 0 | 0 | 113.6 | K146 | E144-K146 PolarHBondContact O-N 3.21Š|
| 145 | G | 83.9 | Confident | 91.1 | Very high | 42 Ų | 42 | 33.4 Ų | 33.4 | 43% | 0.433 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.9 | 0.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y143 | Y143-G145 PolarHBondContact O-N 2.99Å; Y143-G145 VanDerWaalsContact O-N 3.16Å |
| 146 | K | 87 | Confident | 90.7 | Very high | 166 Ų | 166 | 36.9 Ų | 36.9 | 72% | 0.722 | 21% | 0.211 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 134.2 | 174.9 | -65.3 | -179 | -179.4 | 176.7 | 0 | 110.6 | C142 Y143 E144 I148 | C142-K146 CarbonylContact C-O 3.58Å; C142-K146 WeakPolarHBondContact CA-O 3.32Å; C142-K146 WeakPolarHBondContact CB-O 3.4Å; Y143-K146 PolarHBondContact N-O 3.44Å; Y143-K146 PolarHBondContact O-N 2.8Å; E144-K146 PolarHBondContact O-N 3.21Å; K146-I148 PolarHBondContact O-N 3.15Å |
| 147 | C | 90.5 | Very high | 90.5 | Very high | 33 Ų | 33 | 37.4 Ų | 37.4 | 22% | 0.223 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.3 | 132.3 | 174.2 | -173.8 | 0 | 0 | 0 | 0 | 110.5 | I58 | I58-C147 HydrophobicContact CD1-CB 4.34Å |
| 148 | I | 91.2 | Very high | 90.4 | Very high | 6 Ų | 6 | 37.7 Ų | 37.7 | 3% | 0.031 | 21% | 0.214 | C | C | . | . | trans | -94.9 | -2.2 | -179.5 | 66.5 | 167.4 | 0 | 0 | 0 | 113.6 | L40 I45 L50 G76 F77 P141 K146 | L40-I148 HydrophobicContact CD2-CD1 4.5Å; I45-I148 HydrophobicContact CD1-CD1 3.52Å; I45-I148 HydrophobicContact CG1-CD1 4.24Å; L50-I148 HydrophobicContact CD2-CD1 4.18Å; G76-I148 CarbonylContact C-O 3.52Å; G76-I148 WeakPolarHBondContact CA-O 3.43Å; F77-I148 HydrophobicContact CB-CB 4.24Å; F77-I148 HydrophobicContact CD2-CB 3.37Å; F77-I148 HydrophobicContact CD2-CG2 3.61Å; F77-I148 HydrophobicContact CE2-CB 3.88Å; F77-I148 HydrophobicContact CE2-CG2 3.55Å; F77-I148 HydrophobicContact CG-CB 3.94Å; F77-I148 HydrophobicContact CG-CG2 4.3Å; F77-I148 HydrophobicContact CZ-CG2 4.24Å; F77-I148 PolarHBondContact N-O 2.77Å; P141-I148 HydrophobicContact CB-CD1 3.96Å; P141-I148 HydrophobicContact CB-CG1 3.85Å; P141-I148 HydrophobicContact CG-CD1 4.25Å; P141-I148 HydrophobicContact CG-CG1 3.83Å; P141-I148 WeakPolarHBondContact O-CG1 3.41Å; P141-I148 PolarHBondContact O-N 2.71Å; K146-I148 PolarHBondContact O-N 3.15Å | ||
| 149 | S | 92.8 | Very high | 90.3 | Very high | 2 Ų | 2 | 37.7 Ų | 37.7 | 1% | 0.014 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -81.5 | 172.1 | 176 | -81.2 | 0 | 0 | 0 | 0 | 113.1 | S151 E164 Y174 | S149-S151 PolarHBondContact O-N 3.02Å; S149-E164 WeakPolarHBondContact CA-OE1 3.5Å; S149-E164 WeakPolarHBondContact CB-OE1 3.37Å; S149-E164 PolarHBondContact OG-OE1 3.33Å; S149-Y174 PolarHBondContact OG-OH 2.86Å |
| 150 | L | 91.7 | Very high | 90.2 | Very high | 4 Ų | 4 | 35.4 Ų | 35.4 | 2% | 0.021 | 20% | 0.203 | C | C | . | . | trans | -48.5 | 135 | 166.2 | -78.6 | 166.9 | 0 | 0 | 0 | 111.3 | I83 L84 F87 P160 A161 E164 | I83-L150 HydrophobicContact CG2-CD1 3.92Å; L84-L150 HydrophobicContact CB-CD1 4.41Å; L84-L150 HydrophobicContact CB-CD2 3.72Å; L84-L150 HydrophobicContact CD1-CD2 3.57Å; L84-L150 HydrophobicContact CG-CD2 3.69Å; F87-L150 HydrophobicContact CD2-CD1 3.76Å; F87-L150 HydrophobicContact CE2-CD1 3.84Å; L150-P160 HydrophobicContact CB-CB 3.93Å; L150-A161 VanDerWaalsContact O-CA 3.29Å; L150-A161 WeakPolarHBondContact O-CA 3.38Å; L150-A161 VanDerWaalsContact O-CB 3.3Å; L150-A161 WeakPolarHBondContact O-CB 3.11Å; L150-A161 PolarHBondContact O-N 2.73Å; L150-E164 HydrophobicContact CD1-CB 4.44Å; L150-E164 VanDerWaalsContact CD1-OE2 3.3Å; L150-E164 WeakPolarHBondContact CD1-OE2 3.43Å; L150-E164 WeakPolarHBondContact CG-OE2 3.29Å; L150-E164 PolarHBondContact N-OE1 2.75Å; L150-E164 PolarHBondContact N-OE2 3.16Å | ||
| 151 | S | 90 | Very high | 90.3 | Very high | 45 Ų | 45 | 35.6 Ų | 35.6 | 32% | 0.315 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 156.2 | 179.1 | 53.4 | 0 | 0 | 0 | 0 | 111.6 | L73 K74 S149 | L73-S151 CarbonylContact C-O 3.59Å; L73-S151 WeakPolarHBondContact CA-O 3.42Å; K74-S151 WeakPolarHBondContact CB-OG 3.36Å; K74-S151 PolarHBondContact N-O 2.83Å; K74-S151 PolarHBondContact O-N 3.08Å; S149-S151 PolarHBondContact O-N 3.02Å |
| 152 | S | 87.6 | Confident | 90.4 | Very high | 4 Ų | 4 | 35.6 Ų | 35.6 | 3% | 0.028 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 162.9 | 171.8 | 178.8 | 0 | 0 | 0 | 0 | 110.4 | S72 S154 E157 | S72-S152 CarbonylContact O-C 3.58Å; S72-S152 WeakPolarHBondContact O-CA 3.43Å; S152-S154 PolarHBondContact O-N 2.81Å; S152-S154 PolarHBondContact OG-N 2.88Å; S152-E157 WeakPolarHBondContact CB-OE2 3.47Å; S152-E157 PolarHBondContact OG-OE2 3.37Å |
| 153 | S | 79.6 | Confident | 90.6 | Very high | 55 Ų | 55 | 35.6 Ų | 35.6 | 39% | 0.385 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -54.2 | -29.9 | 163.2 | 30.7 | 0 | 0 | 0 | 0 | 112.3 | S72 | S72-S153 PolarHBondContact N-OG 3.22Å; S72-S153 PolarHBondContact O-N 3.43Å; S72-S153 PolarHBondContact O-OG 3.17Å; S72-S153 WeakPolarHBondContact OG-CB 3.48Å; S72-S153 PolarHBondContact OG-OG 3.11Å |
| 154 | S | 85.1 | Confident | 91 | Very high | 22 Ų | 22 | 34 Ų | 34 | 15% | 0.154 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -86.5 | 118.3 | 171.5 | -168 | 0 | 0 | 0 | 0 | 110.7 | R66 S152 K156 E157 | R66-S154 PolarHBondContact NE-OG 3.29Å; R66-S154 PolarHBondContact NH2-OG 3.21Å; S152-S154 PolarHBondContact O-N 2.81Å; S152-S154 PolarHBondContact OG-N 2.88Å; S154-K156 PolarHBondContact O-N 3.3Å; S154-E157 PolarHBondContact O-N 2.76Å; S154-E157 VanDerWaalsContact O-N 3.07Å |
| 155 | A | 85.8 | Confident | 91.4 | Very high | 79 Ų | 79 | 26.7 Ų | 26.7 | 65% | 0.653 | 16% | 0.164 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -11.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 156 | K | 90.3 | Very high | 92.1 | Very high | 74 Ų | 74 | 24.7 Ų | 24.7 | 32% | 0.322 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | -11.8 | 178.3 | -58.3 | -175.1 | -179.3 | -169.6 | 0 | 113.2 | D61 C63 S154 F158 | D61-K156 WeakPolarHBondContact OD1-CD 3.48Å; D61-K156 WeakPolarHBondContact OD1-CE 3.15Å; D61-K156 IonicContact OD1-NZ 3.69Å; D61-K156 PolarHBondContact OD1-NZ 3.48Å; D61-K156 WeakPolarHBondContact OD2-CD 2.93Å; D61-K156 WeakPolarHBondContact OD2-CE 3.25Å; D61-K156 IonicContact OD2-NZ 2.66Å; D61-K156 PolarHBondContact OD2-NZ 2.95Å; C63-K156 PolarHBondContact N-O 2.91Å; C63-K156 PolarHBondContact SG-O 2.94Å; S154-K156 PolarHBondContact O-N 3.3Å; K156-F158 VanDerWaalsContact O-CD2 3.28Å; K156-F158 WeakPolarHBondContact O-CD2 3.22Å; K156-F158 WeakPolarHBondContact O-CE2 3.45Å |
| 157 | E | 92.4 | Very high | 92.6 | Very high | 10 Ų | 10 | 16.8 Ų | 16.8 | 5% | 0.047 | 11% | 0.109 | C | C | . | . | B | Isolated β-bridge | trans | -102.6 | 121.6 | -172.3 | -177.2 | 179.3 | -139.2 | 0 | 0 | 111.7 | C63 S65 R66 S152 S154 W159 | C63-E157 WeakPolarHBondContact O-CA 3.35Å; S65-E157 WeakPolarHBondContact CA-OE1 3.41Å; R66-E157 HydrophobicContact CG-CB 4.5Å; R66-E157 PolarHBondContact N-OE1 2.82Å; S152-E157 WeakPolarHBondContact CB-OE2 3.47Å; S152-E157 PolarHBondContact OG-OE2 3.37Å; S154-E157 PolarHBondContact O-N 2.76Å; S154-E157 VanDerWaalsContact O-N 3.07Å; E157-W159 VanDerWaalsContact CD-NE1 3.35Å; E157-W159 VanDerWaalsContact CG-CD1 3.47Å; E157-W159 PolarHBondContact OE1-NE1 3.34Å |
| 158 | F | 95.2 | Very high | 92.9 | Very high | 13 Ų | 13 | 15.2 Ų | 15.2 | 6% | 0.057 | 10% | 0.098 | C | C | . | . | trans | -113.9 | -1.7 | -167.7 | -72.7 | -90 | 0 | 0 | 0 | 115.9 | P55 I58 V59 P62 C63 W109 L140 K156 P160 A161 L162 | P55-F158 HydrophobicContact CB-CD1 3.94Å; P55-F158 HydrophobicContact CB-CD2 3.74Å; P55-F158 HydrophobicContact CB-CE1 3.97Å; P55-F158 HydrophobicContact CB-CE2 3.79Å; P55-F158 HydrophobicContact CB-CG 3.82Å; P55-F158 HydrophobicContact CB-CZ 3.9Å; P55-F158 HydrophobicContact CG-CB 4.28Å; P55-F158 HydrophobicContact CG-CD1 3.78Å; P55-F158 HydrophobicContact CG-CD2 4.29Å; P55-F158 HydrophobicContact CG-CE1 4.15Å; P55-F158 HydrophobicContact CG-CG 3.85Å; I58-F158 HydrophobicContact CB-CZ 4.38Å; I58-F158 HydrophobicContact CD1-CE1 4.07Å; I58-F158 HydrophobicContact CG2-CZ 4.43Å; V59-F158 HydrophobicContact CG2-CE2 3.59Å; V59-F158 HydrophobicContact CG2-CZ 3.87Å; P62-F158 HydrophobicContact CB-CD2 3.96Å; P62-F158 HydrophobicContact CB-CE2 3.8Å; C63-F158 PolarHBondContact O-N 3.47Å; W109-F158 HydrophobicContact CH2-CB 4.31Å; L140-F158 HydrophobicContact CD1-CD1 3.72Å; L140-F158 HydrophobicContact CD1-CE1 4.25Å; K156-F158 VanDerWaalsContact O-CD2 3.28Å; K156-F158 WeakPolarHBondContact O-CD2 3.22Å; K156-F158 WeakPolarHBondContact O-CE2 3.45Å; F158-P160 VanDerWaalsContact C-N 3.3Å; F158-A161 PolarHBondContact O-N 3.1Å; F158-L162 HydrophobicContact CB-CD1 4.11Å; F158-L162 HydrophobicContact CB-CG 4.46Å; F158-L162 WeakPolarHBondContact O-CG 3.17Å; F158-L162 PolarHBondContact O-N 3.01Å | ||
| 159 | W | 95.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -53.3 | -37.1 | 177.2 | 74.3 | -96.3 | 0 | 0 | 0 | 114.7 | F64 F71 L73 F87 K91 W97 L101 E157 L163 | F64-W159 HydrophobicContact CD2-CB 4.09Å; F64-W159 HydrophobicContact CE2-CB 3.95Å; F64-W159 VanDerWaalsContact O-CB 3.22Å; F64-W159 WeakPolarHBondContact O-CB 3.26Å; F64-W159 PolarHBondContact O-N 3.25Å; F71-W159 HydrophobicContact CD2-CZ2 4.32Å; L73-W159 HydrophobicContact CD1-CH2 4.01Å; L73-W159 HydrophobicContact CD2-CH2 4.04Å; L73-W159 HydrophobicContact CD2-CZ2 3.78Å; F87-W159 HydrophobicContact CB-CH2 4.2Å; F87-W159 HydrophobicContact CB-CZ3 4.08Å; F87-W159 HydrophobicContact CD2-CZ3 4.15Å; F87-W159 HydrophobicContact CG-CZ3 4.35Å; K91-W159 HydrophobicContact CB-CH2 4.43Å; K91-W159 HydrophobicContact CD-CZ2 4.35Å; K91-W159 HydrophobicContact CG-CZ2 4.43Å; W97-W159 HydrophobicContact CH2-CB 4.45Å; W97-W159 AromaticContact CH2-CD2 3.45Å; W97-W159 HydrophobicContact CH2-CD2 3.45Å; W97-W159 VanDerWaalsContact CH2-CD2 3.45Å; W97-W159 AromaticContact CH2-CE2 3.78Å; W97-W159 AromaticContact CH2-CE3 3.57Å; W97-W159 HydrophobicContact CH2-CE3 3.57Å; W97-W159 AromaticContact CH2-CG 3.84Å; W97-W159 HydrophobicContact CH2-CG 3.84Å; W97-W159 HydrophobicContact CH2-CH2 4.29Å; W97-W159 HydrophobicContact CH2-CZ2 4.19Å; W97-W159 HydrophobicContact CH2-CZ3 4.01Å; W97-W159 HydrophobicContact CZ3-CD2 4.03Å; W97-W159 AromaticContact CZ3-CE3 3.71Å; W97-W159 HydrophobicContact CZ3-CE3 3.71Å; W97-W159 AromaticContact CZ3-CH2 3.97Å; W97-W159 HydrophobicContact CZ3-CH2 3.97Å; W97-W159 HydrophobicContact CZ3-CZ2 4.27Å; W97-W159 AromaticContact CZ3-CZ3 3.69Å; W97-W159 HydrophobicContact CZ3-CZ3 3.69Å; L101-W159 HydrophobicContact CD2-CB 3.87Å; L101-W159 HydrophobicContact CD2-CG 4.46Å; E157-W159 VanDerWaalsContact CD-NE1 3.35Å; E157-W159 VanDerWaalsContact CG-CD1 3.47Å; E157-W159 PolarHBondContact OE1-NE1 3.34Å; W159-L163 HydrophobicContact CE3-CD2 4.22Å; W159-L163 HydrophobicContact CZ3-CD2 4.08Å; W159-L163 WeakPolarHBondContact O-CB 3.46Å; W159-L163 PolarHBondContact O-N 3.16Å |
| 160 | P | 94.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -67.1 | -43.4 | -177.9 | -16.8 | 30.7 | 0 | 0 | 0 | 111.1 | L73 L150 F158 L163 E164 | L73-P160 HydrophobicContact CD2-CB 3.9Å; L73-P160 HydrophobicContact CD2-CG 3.5Å; L150-P160 HydrophobicContact CB-CB 3.93Å; F158-P160 VanDerWaalsContact C-N 3.3Å; P160-L163 PolarHBondContact O-N 2.75Å; P160-E164 VanDerWaalsContact O-CB 3.28Å; P160-E164 WeakPolarHBondContact O-CB 3.31Å; P160-E164 PolarHBondContact O-N 2.77Å |
| 161 | A | 96.3 | Very high | 93.4 | Very high | 3 Ų | 3 | 15.3 Ų | 15.3 | 3% | 0.025 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -65.4 | -44 | 179 | 0 | 0 | 0 | 0 | 0 | 111.8 | L140 L150 F158 E164 K165 | L140-A161 HydrophobicContact CD1-CB 3.75Å; L140-A161 HydrophobicContact CD2-CB 4.01Å; L150-A161 VanDerWaalsContact O-CA 3.29Å; L150-A161 WeakPolarHBondContact O-CA 3.38Å; L150-A161 VanDerWaalsContact O-CB 3.3Å; L150-A161 WeakPolarHBondContact O-CB 3.11Å; L150-A161 PolarHBondContact O-N 2.73Å; F158-A161 PolarHBondContact O-N 3.1Å; A161-E164 PolarHBondContact O-N 2.91Å; A161-K165 WeakPolarHBondContact O-CB 3.2Å; A161-K165 PolarHBondContact O-N 2.98Å |
| 162 | L | 97.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -69.3 | -39.2 | 179.4 | -67.5 | 168.5 | 0 | 0 | 0 | 111.9 | F64 W109 F121 F123 I136 D138 L140 F158 K165 A166 | F64-L162 HydrophobicContact CD2-CD1 3.79Å; F64-L162 HydrophobicContact CE2-CB 4.48Å; F64-L162 HydrophobicContact CE2-CD1 3.92Å; W109-L162 HydrophobicContact CH2-CD1 4.14Å; F121-L162 HydrophobicContact CD1-CD1 3.92Å; F121-L162 HydrophobicContact CD2-CD1 4.15Å; F121-L162 HydrophobicContact CD2-CD2 4.19Å; F121-L162 HydrophobicContact CE1-CD1 3.83Å; F121-L162 HydrophobicContact CE2-CD1 4.09Å; F121-L162 HydrophobicContact CG-CD1 4.09Å; F121-L162 HydrophobicContact CZ-CD1 3.93Å; F123-L162 HydrophobicContact CE2-CB 4.07Å; F123-L162 HydrophobicContact CZ-CB 3.65Å; I136-L162 HydrophobicContact CD1-CB 4.28Å; I136-L162 HydrophobicContact CD1-CD2 4.15Å; I136-L162 WeakPolarHBondContact CD1-O 3.17Å; D138-L162 HydrophobicContact CB-CD2 3.97Å; L140-L162 HydrophobicContact CD2-CD2 4.14Å; F158-L162 HydrophobicContact CB-CD1 4.11Å; F158-L162 HydrophobicContact CB-CG 4.46Å; F158-L162 WeakPolarHBondContact O-CG 3.17Å; F158-L162 PolarHBondContact O-N 3.01Å; L162-K165 PolarHBondContact O-N 2.79Å; L162-A166 WeakPolarHBondContact O-CB 3.38Å; L162-A166 PolarHBondContact O-N 3.42Å |
| 163 | L | 97.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -67.5 | -41.2 | 175.5 | -177.5 | 65.5 | 0 | 0 | 0 | 111.3 | F87 L90 V100 L101 F123 F125 W159 P160 K165 A166 Y167 | F87-L163 HydrophobicContact CD1-CD2 3.78Å; F87-L163 HydrophobicContact CD1-CG 4.47Å; F87-L163 HydrophobicContact CD2-CD2 3.88Å; F87-L163 HydrophobicContact CD2-CG 4.38Å; F87-L163 HydrophobicContact CE1-CD2 3.67Å; F87-L163 HydrophobicContact CE1-CG 3.87Å; F87-L163 HydrophobicContact CE2-CB 3.9Å; F87-L163 HydrophobicContact CE2-CD2 3.77Å; F87-L163 HydrophobicContact CE2-CG 3.75Å; F87-L163 HydrophobicContact CG-CD2 3.9Å; F87-L163 HydrophobicContact CZ-CB 4.07Å; F87-L163 HydrophobicContact CZ-CD2 3.67Å; F87-L163 HydrophobicContact CZ-CG 3.48Å; F87-L163 VanDerWaalsContact CZ-CG 3.48Å; L90-L163 HydrophobicContact CD2-CD2 4.29Å; V100-L163 HydrophobicContact CG1-CD1 3.57Å; L101-L163 HydrophobicContact CD1-CD2 4.33Å; F123-L163 HydrophobicContact CB-CD1 4.26Å; F123-L163 HydrophobicContact CD1-CB 4.31Å; F123-L163 HydrophobicContact CD1-CD1 3.43Å; F123-L163 VanDerWaalsContact CD1-CD1 3.43Å; F123-L163 HydrophobicContact CD1-CG 4.46Å; F123-L163 HydrophobicContact CE1-CB 3.95Å; F123-L163 HydrophobicContact CE1-CD1 3.96Å; F123-L163 HydrophobicContact CG-CD1 3.98Å; F123-L163 HydrophobicContact CZ-CB 4.46Å; F125-L163 HydrophobicContact CE1-CD1 3.93Å; F125-L163 HydrophobicContact CZ-CD1 3.64Å; W159-L163 HydrophobicContact CE3-CD2 4.22Å; W159-L163 HydrophobicContact CZ3-CD2 4.08Å; W159-L163 WeakPolarHBondContact O-CB 3.46Å; W159-L163 PolarHBondContact O-N 3.16Å; P160-L163 PolarHBondContact O-N 2.75Å; L163-K165 VanDerWaalsContact C-N 3.34Å; L163-K165 PolarHBondContact O-N 3.03Å; L163-A166 PolarHBondContact O-N 2.86Å; L163-Y167 WeakPolarHBondContact O-CB 3.5Å; L163-Y167 PolarHBondContact O-N 2.85Å |
| 164 | E | 97.6 | Very high | 94.5 | Very high | 3 Ų | 3 | 11.5 Ų | 11.5 | 1% | 0.014 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -57.8 | -47.7 | 173.7 | -177.5 | -177.5 | 84 | 0 | 0 | 110.7 | F87 S149 L150 P160 A161 A166 Y167 A168 Y174 L177 | F87-E164 HydrophobicContact CE2-CB 4.04Å; F87-E164 HydrophobicContact CZ-CB 4.44Å; S149-E164 WeakPolarHBondContact CA-OE1 3.5Å; S149-E164 WeakPolarHBondContact CB-OE1 3.37Å; S149-E164 PolarHBondContact OG-OE1 3.33Å; L150-E164 HydrophobicContact CD1-CB 4.44Å; L150-E164 VanDerWaalsContact CD1-OE2 3.3Å; L150-E164 WeakPolarHBondContact CD1-OE2 3.43Å; L150-E164 WeakPolarHBondContact CG-OE2 3.29Å; L150-E164 PolarHBondContact N-OE1 2.75Å; L150-E164 PolarHBondContact N-OE2 3.16Å; P160-E164 VanDerWaalsContact O-CB 3.28Å; P160-E164 WeakPolarHBondContact O-CB 3.31Å; P160-E164 PolarHBondContact O-N 2.77Å; A161-E164 PolarHBondContact O-N 2.91Å; E164-A166 PolarHBondContact O-N 2.73Å; E164-Y167 PolarHBondContact O-N 3.45Å; E164-A168 WeakPolarHBondContact O-CB 3.33Å; E164-A168 PolarHBondContact O-N 2.61Å; E164-Y174 HydrophobicContact CG-CE1 3.98Å; E164-Y174 WeakPolarHBondContact OE1-CE1 3.32Å; E164-L177 HydrophobicContact CG-CD1 3.65Å |
| 165 | K | 97.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -59.9 | -45.7 | 176.5 | -174.7 | 174.5 | 170.9 | -173.5 | 0 | 112.6 | F33 I136 D137 M139 L140 A161 L162 L163 Y167 A168 K169 Y174 | F33-K165 HydrophobicContact CD1-CG 4.28Å; F33-K165 HydrophobicContact CE1-CG 4.02Å; I136-K165 HydrophobicContact CD1-CB 4.05Å; I136-K165 HydrophobicContact CD1-CD 4.12Å; I136-K165 HydrophobicContact CD1-CG 4.15Å; D137-K165 PolarHBondContact O-NZ 2.89Å; D137-K165 IonicContact OD1-NZ 3.74Å; D137-K165 PolarHBondContact OD1-NZ 3.42Å; M139-K165 PolarHBondContact O-NZ 3.15Å; L140-K165 HydrophobicContact CD2-CD 4.17Å; A161-K165 WeakPolarHBondContact O-CB 3.2Å; A161-K165 PolarHBondContact O-N 2.98Å; L162-K165 PolarHBondContact O-N 2.79Å; L163-K165 VanDerWaalsContact C-N 3.34Å; L163-K165 PolarHBondContact O-N 3.03Å; K165-Y167 VanDerWaalsContact C-N 3.28Å; K165-Y167 PolarHBondContact O-N 2.87Å; K165-A168 PolarHBondContact O-N 2.86Å; K165-K169 WeakPolarHBondContact O-CB 3.04Å; K165-K169 PolarHBondContact O-N 3.28Å; K165-Y174 WeakPolarHBondContact CA-OH 3.12Å; K165-Y174 VanDerWaalsContact CB-OH 3.27Å; K165-Y174 WeakPolarHBondContact CB-OH 3.39Å; K165-Y174 HydrophobicContact CG-CE2 4.43Å |
| 166 | A | 97.8 | Very high | 95 | Very high | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -63.1 | -37.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | F123 F125 V134 I136 L162 L163 E164 K169 L170 | F123-A166 HydrophobicContact CB-CB 4.11Å; F123-A166 HydrophobicContact CD2-CB 3.39Å; F123-A166 HydrophobicContact CE2-CB 4.03Å; F123-A166 HydrophobicContact CG-CB 3.91Å; F125-A166 HydrophobicContact CE2-CB 3.93Å; F125-A166 HydrophobicContact CZ-CB 4.06Å; V134-A166 HydrophobicContact CG1-CB 4.23Å; I136-A166 HydrophobicContact CD1-CB 4.12Å; I136-A166 HydrophobicContact CG2-CB 4.11Å; L162-A166 WeakPolarHBondContact O-CB 3.38Å; L162-A166 PolarHBondContact O-N 3.42Å; L163-A166 PolarHBondContact O-N 2.86Å; E164-A166 PolarHBondContact O-N 2.73Å; A166-K169 PolarHBondContact O-N 3.18Å; A166-L170 PolarHBondContact O-N 2.97Å |
| 167 | Y | 97.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 8 Ų | 8 | 0% | 0 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -71.8 | -41.3 | 177.4 | -164.9 | -142.2 | 0 | 0 | 0 | 112 | I83 F125 L163 E164 K165 K169 L170 L171 L177 V180 A185 D188 | I83-Y167 HydrophobicContact CD1-CD1 4.17Å; I83-Y167 HydrophobicContact CD1-CE1 3.81Å; F125-Y167 AromaticContact CD1-CD2 3.76Å; F125-Y167 HydrophobicContact CD1-CD2 3.76Å; F125-Y167 HydrophobicContact CD1-CE2 4.26Å; F125-Y167 AromaticContact CE1-CD2 3.58Å; F125-Y167 HydrophobicContact CE1-CD2 3.58Å; F125-Y167 HydrophobicContact CE1-CE2 4.43Å; F125-Y167 AromaticContact CE1-CG 3.89Å; F125-Y167 HydrophobicContact CE1-CG 3.89Å; F125-Y167 HydrophobicContact CG-CD2 4.49Å; F125-Y167 HydrophobicContact CZ-CD2 4.17Å; F125-Y167 HydrophobicContact CZ-CG 4.34Å; L163-Y167 WeakPolarHBondContact O-CB 3.5Å; L163-Y167 PolarHBondContact O-N 2.85Å; E164-Y167 PolarHBondContact O-N 3.45Å; K165-Y167 VanDerWaalsContact C-N 3.28Å; K165-Y167 PolarHBondContact O-N 2.87Å; Y167-K169 VanDerWaalsContact C-N 3.32Å; Y167-K169 PolarHBondContact O-N 3.12Å; Y167-L170 HydrophobicContact CD2-CD2 4.25Å; Y167-L170 HydrophobicContact CE2-CD2 4.43Å; Y167-L170 WeakPolarHBondContact O-CB 3.37Å; Y167-L170 PolarHBondContact O-N 2.78Å; Y167-L171 HydrophobicContact CD1-CD1 4.37Å; Y167-L171 HydrophobicContact CD2-CD1 4.38Å; Y167-L171 HydrophobicContact CD2-CG 4.31Å; Y167-L171 HydrophobicContact CE1-CD1 4.01Å; Y167-L171 HydrophobicContact CE2-CD1 4.01Å; Y167-L171 HydrophobicContact CE2-CD2 4.2Å; Y167-L171 HydrophobicContact CE2-CG 4.06Å; Y167-L171 WeakPolarHBondContact O-CG 3.49Å; Y167-L171 PolarHBondContact O-N 3.33Å; Y167-L177 HydrophobicContact CD1-CD2 3.46Å; Y167-L177 VanDerWaalsContact CD1-CD2 3.46Å; Y167-L177 HydrophobicContact CE1-CD2 4Å; Y167-L177 HydrophobicContact CG-CD2 4.11Å; Y167-V180 HydrophobicContact CE1-CG1 4.34Å; Y167-A185 HydrophobicContact CE1-CB 4.44Å; Y167-D188 HydrophobicContact CE2-CB 4.03Å; Y167-D188 PolarHBondContact OH-OD2 2.98Å |
| 168 | A | 96.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 8 Ų | 8 | 0% | 0 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -55.5 | -47.6 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111 | F33 E164 K165 L170 L171 G172 G173 Y174 L177 | F33-A168 HydrophobicContact CE1-CB 4.5Å; F33-A168 HydrophobicContact CZ-CB 4.12Å; E164-A168 WeakPolarHBondContact O-CB 3.33Å; E164-A168 PolarHBondContact O-N 2.61Å; K165-A168 PolarHBondContact O-N 2.86Å; A168-L170 VanDerWaalsContact C-N 3.35Å; A168-L170 PolarHBondContact O-N 3.23Å; A168-L171 PolarHBondContact O-N 3.42Å; A168-G172 PolarHBondContact O-N 2.97Å; A168-G173 PolarHBondContact O-N 3.19Å; A168-Y174 HydrophobicContact CB-CD1 4.19Å; A168-Y174 HydrophobicContact CB-CD2 3.7Å; A168-Y174 HydrophobicContact CB-CE1 4.37Å; A168-Y174 HydrophobicContact CB-CE2 3.9Å; A168-Y174 HydrophobicContact CB-CG 3.87Å; A168-L177 HydrophobicContact CB-CD1 3.83Å; A168-L177 HydrophobicContact CB-CG 4.18Å |
| 169 | K | 96.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -58.5 | -44.1 | 176.8 | 178.1 | 175.3 | -179.8 | 173.8 | 0 | 112.5 | F9 D30 F33 V134 T135 I136 K165 A166 Y167 L171 G172 | F9-K169 HydrophobicContact CD1-CG 4.43Å; F9-K169 HydrophobicContact CE1-CG 3.96Å; D30-K169 IonicContact OD1-NZ 3.47Å; D30-K169 PolarHBondContact OD1-NZ 2.63Å; D30-K169 IonicContact OD2-NZ 3.67Å; D30-K169 PolarHBondContact OD2-NZ 2.85Å; F33-K169 HydrophobicContact CB-CD 3.75Å; F33-K169 HydrophobicContact CB-CG 4.01Å; F33-K169 HydrophobicContact CD1-CB 3.8Å; F33-K169 HydrophobicContact CD1-CD 4.37Å; F33-K169 HydrophobicContact CD1-CG 4.24Å; F33-K169 HydrophobicContact CD2-CB 4.07Å; F33-K169 HydrophobicContact CD2-CG 4.05Å; F33-K169 HydrophobicContact CE1-CB 3.92Å; F33-K169 HydrophobicContact CE2-CB 4.21Å; F33-K169 HydrophobicContact CG-CB 3.87Å; F33-K169 HydrophobicContact CG-CD 4.05Å; F33-K169 HydrophobicContact CG-CG 3.85Å; F33-K169 HydrophobicContact CZ-CB 4.12Å; V134-K169 HydrophobicContact CG1-CB 4.35Å; V134-K169 HydrophobicContact CG1-CD 3.9Å; V134-K169 HydrophobicContact CG1-CG 4.21Å; T135-K169 PolarHBondContact O-NZ 3.47Å; I136-K169 HydrophobicContact CG2-CB 4.48Å; I136-K169 HydrophobicContact CG2-CD 3.73Å; K165-K169 WeakPolarHBondContact O-CB 3.04Å; K165-K169 PolarHBondContact O-N 3.28Å; A166-K169 PolarHBondContact O-N 3.18Å; Y167-K169 VanDerWaalsContact C-N 3.32Å; Y167-K169 PolarHBondContact O-N 3.12Å; K169-L171 VanDerWaalsContact C-N 3.31Å; K169-L171 PolarHBondContact O-N 3.23Å; K169-G172 PolarHBondContact O-N 3.48Å |
| 170 | L | 96.1 | Very high | 94.6 | Very high | 1 Ų | 1 | 15.3 Ų | 15.3 | 1% | 0.005 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -61.9 | -40.5 | 178.6 | -179 | 62.9 | 0 | 0 | 0 | 112 | F9 F125 Q127 F132 V134 A166 Y167 A168 | F9-L170 HydrophobicContact CD2-CD1 3.88Å; F9-L170 HydrophobicContact CE2-CD1 3.87Å; F9-L170 HydrophobicContact CG-CD1 4.35Å; F9-L170 HydrophobicContact CZ-CD1 4.32Å; F125-L170 HydrophobicContact CB-CD2 3.45Å; F125-L170 VanDerWaalsContact CB-CD2 3.45Å; F125-L170 HydrophobicContact CD1-CD2 4.29Å; F125-L170 HydrophobicContact CD2-CD2 3.77Å; F125-L170 HydrophobicContact CG-CD2 3.58Å; Q127-L170 HydrophobicContact CG-CD2 4.41Å; F132-L170 HydrophobicContact CB-CD1 4.16Å; F132-L170 HydrophobicContact CG-CD1 4.29Å; V134-L170 HydrophobicContact CG2-CB 4.18Å; V134-L170 HydrophobicContact CG2-CD1 4.02Å; V134-L170 HydrophobicContact CG2-CG 4.49Å; A166-L170 PolarHBondContact O-N 2.97Å; Y167-L170 HydrophobicContact CD2-CD2 4.25Å; Y167-L170 HydrophobicContact CE2-CD2 4.43Å; Y167-L170 WeakPolarHBondContact O-CB 3.37Å; Y167-L170 PolarHBondContact O-N 2.78Å; A168-L170 VanDerWaalsContact C-N 3.35Å; A168-L170 PolarHBondContact O-N 3.23Å |
| 171 | L | 94.4 | Very high | 94.4 | Very high | 12 Ų | 12 | 16 Ų | 16 | 6% | 0.063 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -81.2 | -15.3 | 179.8 | -61.6 | -178.8 | 0 | 0 | 0 | 113.5 | Y167 A168 K169 K176 L177 V180 I447 | Y167-L171 HydrophobicContact CD1-CD1 4.37Å; Y167-L171 HydrophobicContact CD2-CD1 4.38Å; Y167-L171 HydrophobicContact CD2-CG 4.31Å; Y167-L171 HydrophobicContact CE1-CD1 4.01Å; Y167-L171 HydrophobicContact CE2-CD1 4.01Å; Y167-L171 HydrophobicContact CE2-CD2 4.2Å; Y167-L171 HydrophobicContact CE2-CG 4.06Å; Y167-L171 WeakPolarHBondContact O-CG 3.49Å; Y167-L171 PolarHBondContact O-N 3.33Å; A168-L171 PolarHBondContact O-N 3.42Å; K169-L171 VanDerWaalsContact C-N 3.31Å; K169-L171 PolarHBondContact O-N 3.23Å; L171-K176 HydrophobicContact CB-CB 3.82Å; L171-K176 HydrophobicContact CB-CG 4.47Å; L171-K176 WeakPolarHBondContact O-CG 3.26Å; L171-L177 HydrophobicContact CD1-CD2 3.93Å; L171-V180 HydrophobicContact CD1-CG2 3.43Å; L171-V180 VanDerWaalsContact CD1-CG2 3.43Å; L171-I447 HydrophobicContact CD2-CD1 4.08Å |
| 172 | G | 92.8 | Very high | 94.2 | Very high | 22 Ų | 22 | 15.9 Ų | 15.9 | 23% | 0.227 | 7% | 0.074 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 100.2 | 16.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | A168 K169 | A168-G172 PolarHBondContact O-N 2.97Å; K169-G172 PolarHBondContact O-N 3.48Å |
| 173 | G | 93.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 8% | 0.077 | C | C | . | . | S | Bend | trans | 152.8 | 163.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | A168 D175 K176 | A168-G173 PolarHBondContact O-N 3.19Å; G173-D175 VanDerWaalsContact C-N 3.3Å; G173-D175 WeakPolarHBondContact CA-OD1 3.46Å; G173-K176 PolarHBondContact O-N 3.31Å |
| 174 | Y | 93.6 | Very high | 93.7 | Very high | 2 Ų | 2 | 17.3 Ų | 17.3 | 1% | 0.008 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -70.5 | -28.2 | 174.4 | -83.9 | -98.8 | 0 | 0 | 0 | 112.4 | F33 M38 L40 V78 S149 E164 K165 A168 K176 L177 | F33-Y174 HydrophobicContact CE1-CD2 4.46Å; F33-Y174 HydrophobicContact CE1-CE2 4.06Å; F33-Y174 HydrophobicContact CZ-CD2 4.2Å; F33-Y174 HydrophobicContact CZ-CE2 4.26Å; M38-Y174 HydrophobicContact CB-CD2 4.01Å; M38-Y174 HydrophobicContact CB-CE2 4.4Å; M38-Y174 HydrophobicContact CG-CE2 4.46Å; M38-Y174 WeakPolarHBondContact O-CB 2.98Å; M38-Y174 PolarHBondContact O-N 3.2Å; M38-Y174 HydrophobicContact SD-CE2 4.18Å; L40-Y174 HydrophobicContact CD2-CD1 4.16Å; L40-Y174 HydrophobicContact CD2-CD2 3.72Å; L40-Y174 HydrophobicContact CD2-CE2 4.31Å; L40-Y174 HydrophobicContact CD2-CG 3.62Å; V78-Y174 HydrophobicContact CG2-CD1 3.94Å; S149-Y174 PolarHBondContact OG-OH 2.86Å; E164-Y174 HydrophobicContact CG-CE1 3.98Å; E164-Y174 WeakPolarHBondContact OE1-CE1 3.32Å; K165-Y174 WeakPolarHBondContact CA-OH 3.12Å; K165-Y174 VanDerWaalsContact CB-OH 3.27Å; K165-Y174 WeakPolarHBondContact CB-OH 3.39Å; K165-Y174 HydrophobicContact CG-CE2 4.43Å; A168-Y174 HydrophobicContact CB-CD1 4.19Å; A168-Y174 HydrophobicContact CB-CD2 3.7Å; A168-Y174 HydrophobicContact CB-CE1 4.37Å; A168-Y174 HydrophobicContact CB-CE2 3.9Å; A168-Y174 HydrophobicContact CB-CG 3.87Å; Y174-K176 PolarHBondContact O-N 3.31Å; Y174-L177 HydrophobicContact CD1-CD1 4.02Å; Y174-L177 HydrophobicContact CE1-CD1 4.5Å; Y174-L177 WeakPolarHBondContact O-CB 3.42Å; Y174-L177 PolarHBondContact O-N 2.99Å; Y174-L177 VanDerWaalsContact O-N 3.14Å |
| 175 | D | 91.2 | Very high | 93.5 | Very high | 19 Ų | 19 | 17.2 Ų | 17.2 | 10% | 0.102 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -59 | -30.4 | 173.9 | 67.7 | -57.3 | 0 | 0 | 0 | 112 | N39 C42 G173 L177 E178 Y179 | N39-D175 HydrophobicContact CB-CB 4.15Å; N39-D175 VanDerWaalsContact CB-OD1 3.24Å; N39-D175 WeakPolarHBondContact CB-OD1 3.21Å; N39-D175 PolarHBondContact ND2-OD1 2.98Å; C42-D175 HydrophobicContact CB-CB 4.01Å; G173-D175 VanDerWaalsContact C-N 3.3Å; G173-D175 WeakPolarHBondContact CA-OD1 3.46Å; D175-L177 VanDerWaalsContact C-N 3.34Å; D175-E178 WeakPolarHBondContact O-CB 3.48Å; D175-E178 PolarHBondContact O-N 3.39Å; D175-Y179 WeakPolarHBondContact O-CD2 3.22Å; D175-Y179 WeakPolarHBondContact O-CE2 3.47Å |
| 176 | K | 91.7 | Very high | 93.4 | Very high | 84 Ų | 84 | 17.2 Ų | 17.2 | 37% | 0.365 | 8% | 0.08 | S | C | . | . | H | α-helix | trans | -70.6 | -31 | 178.6 | -54.6 | -52.8 | -179.1 | -144.1 | 0 | 112.6 | L171 G173 Y174 E178 Y179 V180 | L171-K176 HydrophobicContact CB-CB 3.82Å; L171-K176 HydrophobicContact CB-CG 4.47Å; L171-K176 WeakPolarHBondContact O-CG 3.26Å; G173-K176 PolarHBondContact O-N 3.31Å; Y174-K176 PolarHBondContact O-N 3.31Å; K176-E178 PolarHBondContact O-N 3.24Å; K176-Y179 PolarHBondContact O-N 2.97Å; K176-Y179 VanDerWaalsContact O-N 3.15Å; K176-V180 WeakPolarHBondContact O-CG2 3.5Å |
| 177 | L | 93.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -60.5 | -27.2 | 176.9 | -65.5 | 178 | 0 | 0 | 0 | 112.1 | V78 N80 I83 E164 Y167 A168 L171 Y174 D175 Y179 | V78-L177 HydrophobicContact CG1-CB 3.84Å; V78-L177 HydrophobicContact CG2-CD1 4.22Å; N80-L177 WeakPolarHBondContact CB-O 3.15Å; N80-L177 PolarHBondContact ND2-O 2.92Å; I83-L177 HydrophobicContact CD1-CB 4.49Å; I83-L177 HydrophobicContact CD1-CD2 3.92Å; I83-L177 HydrophobicContact CG1-CB 4.26Å; I83-L177 HydrophobicContact CG1-CD2 4.29Å; E164-L177 HydrophobicContact CG-CD1 3.65Å; Y167-L177 HydrophobicContact CD1-CD2 3.46Å; Y167-L177 VanDerWaalsContact CD1-CD2 3.46Å; Y167-L177 HydrophobicContact CE1-CD2 4Å; Y167-L177 HydrophobicContact CG-CD2 4.11Å; A168-L177 HydrophobicContact CB-CD1 3.83Å; A168-L177 HydrophobicContact CB-CG 4.18Å; L171-L177 HydrophobicContact CD1-CD2 3.93Å; Y174-L177 HydrophobicContact CD1-CD1 4.02Å; Y174-L177 HydrophobicContact CE1-CD1 4.5Å; Y174-L177 WeakPolarHBondContact O-CB 3.42Å; Y174-L177 PolarHBondContact O-N 2.99Å; Y174-L177 VanDerWaalsContact O-N 3.14Å; D175-L177 VanDerWaalsContact C-N 3.34Å; L177-Y179 PolarHBondContact O-N 2.95Å |
| 178 | E | 90.5 | Very high | 93.2 | Very high | 10 Ų | 10 | 17.4 Ų | 17.4 | 5% | 0.047 | 8% | 0.081 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -19.5 | 179 | -65.9 | -69.5 | -171.2 | 0 | 0 | 113.7 | L43 V78 K79 N80 D175 K176 P252 L254 | L43-E178 HydrophobicContact CD2-CG 4Å; L43-E178 WeakPolarHBondContact CD2-OE1 3.32Å; V78-E178 WeakPolarHBondContact CA-OE1 3.34Å; V78-E178 HydrophobicContact CG1-CG 4.48Å; K79-E178 WeakPolarHBondContact CA-OE2 3.28Å; K79-E178 WeakPolarHBondContact CB-OE2 3.38Å; K79-E178 PolarHBondContact N-OE1 3.37Å; K79-E178 PolarHBondContact N-OE2 2.64Å; N80-E178 PolarHBondContact N-OE2 2.83Å; D175-E178 WeakPolarHBondContact O-CB 3.48Å; D175-E178 PolarHBondContact O-N 3.39Å; K176-E178 PolarHBondContact O-N 3.24Å; E178-P252 WeakPolarHBondContact O-CB 3.46Å; E178-L254 HydrophobicContact CB-CD2 3.93Å; E178-L254 HydrophobicContact CG-CD2 4.43Å; E178-L254 WeakPolarHBondContact O-CD2 3.27Å; E178-L254 WeakPolarHBondContact OE2-CD2 3.1Å |
| 179 | Y | 88.3 | Confident | 93.1 | Very high | 159 Ų | 159 | 17.6 Ų | 17.6 | 62% | 0.624 | 8% | 0.082 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -114.4 | 3.7 | -173.4 | -56 | -76.5 | 0 | 0 | 0 | 113.7 | D175 K176 L177 R181 P252 L254 | D175-Y179 WeakPolarHBondContact O-CD2 3.22Å; D175-Y179 WeakPolarHBondContact O-CE2 3.47Å; K176-Y179 PolarHBondContact O-N 2.97Å; K176-Y179 VanDerWaalsContact O-N 3.15Å; L177-Y179 PolarHBondContact O-N 2.95Å; Y179-R181 PolarHBondContact O-N 2.93Å; Y179-P252 VanDerWaalsContact O-CG 3.23Å; Y179-P252 WeakPolarHBondContact O-CG 3.31Å; Y179-L254 HydrophobicContact CE1-CD1 4.45Å |
| 180 | V | 90.7 | Very high | 93 | Very high | 6 Ų | 6 | 17.8 Ų | 17.8 | 4% | 0.036 | 8% | 0.083 | C | C | . | . | trans | -73.6 | 126.2 | -179 | -178.9 | 0 | 0 | 0 | 0 | 111 | N80 N82 I83 Y167 L171 K176 E184 A185 | N80-V180 PolarHBondContact ND2-N 3.25Å; N80-V180 PolarHBondContact ND2-O 3.44Å; N82-V180 PolarHBondContact ND2-O 3.38Å; I83-V180 HydrophobicContact CD1-CB 3.86Å; I83-V180 HydrophobicContact CD1-CG1 4.07Å; I83-V180 HydrophobicContact CD1-CG2 4.2Å; Y167-V180 HydrophobicContact CE1-CG1 4.34Å; L171-V180 HydrophobicContact CD1-CG2 3.43Å; L171-V180 VanDerWaalsContact CD1-CG2 3.43Å; K176-V180 WeakPolarHBondContact O-CG2 3.5Å; V180-E184 HydrophobicContact CG1-CB 4.4Å; V180-A185 HydrophobicContact CG1-CB 3.82Å | ||
| 181 | R | 91.4 | Very high | 92.8 | Very high | 16 Ų | 16 | 18.4 Ų | 18.4 | 6% | 0.06 | 9% | 0.09 | C | C | . | . | trans | -73.4 | 148.4 | 171.3 | -62.4 | -176.4 | 57.9 | 64.7 | 11.6 | 110.9 | Y179 E183 E184 A185 F249 G250 A251 | Y179-R181 PolarHBondContact O-N 2.93Å; R181-E183 IonicContact CZ-OE1 2.71Å; R181-E183 IonicContact CZ-OE2 3.25Å; R181-E183 IonicContact NE-OE1 3.43Å; R181-E183 IonicContact NE-OE2 2.85Å; R181-E183 PolarHBondContact NE-OE2 2.81Å; R181-E183 IonicContact NH2-OE1 2.82Å; R181-E183 PolarHBondContact NH2-OE1 2.99Å; R181-E183 IonicContact NH2-OE2 3.95Å; R181-E183 PolarHBondContact NH2-OE2 2.81Å; R181-E183 VanDerWaalsContact NH2-OE2 3.07Å; R181-E183 PolarHBondContact O-N 2.88Å; R181-E184 HydrophobicContact CB-CB 4.45Å; R181-E184 HydrophobicContact CB-CG 4.17Å; R181-E184 PolarHBondContact O-N 3.24Å; R181-E184 VanDerWaalsContact O-N 3.11Å; R181-A185 PolarHBondContact O-N 3.02Å; R181-F249 PolarHBondContact NH2-O 3.48Å; R181-G250 CarbonylContact C-O 3.53Å; R181-G250 WeakPolarHBondContact CA-O 3.47Å; R181-A251 VanDerWaalsContact NH1-CA 3.29Å | ||
| 182 | L | 92 | Very high | 92.7 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -58.1 | -38.8 | 177.6 | -176.9 | 60.1 | 0 | 0 | 0 | 112.3 | N82 L85 A86 E184 A185 M186 I228 G250 L371 | N82-L182 HydrophobicContact CB-CB 4.1Å; N82-L182 HydrophobicContact CB-CD1 4.28Å; L85-L182 HydrophobicContact CB-CD1 4.22Å; L85-L182 HydrophobicContact CD2-CD1 3.91Å; L85-L182 HydrophobicContact CD2-CD2 3.57Å; L85-L182 HydrophobicContact CD2-CG 4.38Å; L85-L182 HydrophobicContact CG-CD1 3.95Å; L85-L182 HydrophobicContact CG-CD2 4.29Å; A86-L182 HydrophobicContact CB-CD1 4.15Å; L182-E184 VanDerWaalsContact C-N 3.27Å; L182-E184 PolarHBondContact O-N 3.02Å; L182-A185 PolarHBondContact O-N 2.91Å; L182-M186 HydrophobicContact CD1-CG 4.01Å; L182-M186 HydrophobicContact CG-CG 4.24Å; L182-M186 VanDerWaalsContact O-CB 3.29Å; L182-M186 WeakPolarHBondContact O-CB 3.45Å; L182-M186 WeakPolarHBondContact O-CG 3.35Å; L182-M186 PolarHBondContact O-N 2.86Å; L182-I228 HydrophobicContact CD1-CD1 4.36Å; L182-I228 HydrophobicContact CD2-CB 4.46Å; L182-I228 HydrophobicContact CD2-CD1 4.09Å; L182-I228 HydrophobicContact CD2-CG2 3.97Å; L182-G250 PolarHBondContact N-O 2.89Å; L182-L371 HydrophobicContact CB-CD1 4.08Å; L182-L371 HydrophobicContact CD2-CB 4.41Å; L182-L371 HydrophobicContact CD2-CD1 4Å; L182-L371 HydrophobicContact CD2-CD2 4.33Å; L182-L371 HydrophobicContact CD2-CG 4.5Å; L182-L371 HydrophobicContact CG-CD1 3.93Å; L182-L371 HydrophobicContact CG-CD2 4.33Å |
| 183 | E | 91.7 | Very high | 92.8 | Very high | 13 Ų | 13 | 17 Ų | 17 | 6% | 0.061 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -59 | -40.7 | 177.9 | -53.7 | 149.8 | 172.7 | 0 | 0 | 111.9 | R181 M187 T194 S196 L371 | R181-E183 IonicContact CZ-OE1 2.71Å; R181-E183 IonicContact CZ-OE2 3.25Å; R181-E183 IonicContact NE-OE1 3.43Å; R181-E183 IonicContact NE-OE2 2.85Å; R181-E183 PolarHBondContact NE-OE2 2.81Å; R181-E183 IonicContact NH2-OE1 2.82Å; R181-E183 PolarHBondContact NH2-OE1 2.99Å; R181-E183 IonicContact NH2-OE2 3.95Å; R181-E183 PolarHBondContact NH2-OE2 2.81Å; R181-E183 VanDerWaalsContact NH2-OE2 3.07Å; R181-E183 PolarHBondContact O-N 2.88Å; E183-M187 VanDerWaalsContact O-CB 3.27Å; E183-M187 WeakPolarHBondContact O-CB 3.43Å; E183-M187 PolarHBondContact O-N 3.09Å; E183-T194 WeakPolarHBondContact O-CG2 3.46Å; E183-T194 PolarHBondContact O-OG1 3.02Å; E183-S196 PolarHBondContact OE1-OG 2.85Å; E183-L371 HydrophobicContact CB-CD1 4.1Å; E183-L371 HydrophobicContact CG-CD1 3.32Å |
| 184 | E | 92.1 | Very high | 92.8 | Very high | 17 Ų | 17 | 17.2 Ų | 17.2 | 8% | 0.079 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -74.9 | -46.9 | -179.4 | -65.1 | 178 | -174.8 | 0 | 0 | 109.9 | V180 R181 L182 M186 M187 D188 R489 V490 | V180-E184 HydrophobicContact CG1-CB 4.4Å; R181-E184 HydrophobicContact CB-CB 4.45Å; R181-E184 HydrophobicContact CB-CG 4.17Å; R181-E184 PolarHBondContact O-N 3.24Å; R181-E184 VanDerWaalsContact O-N 3.11Å; L182-E184 VanDerWaalsContact C-N 3.27Å; L182-E184 PolarHBondContact O-N 3.02Å; E184-M186 VanDerWaalsContact C-N 3.33Å; E184-M186 PolarHBondContact O-N 3.49Å; E184-M187 PolarHBondContact O-N 3.01Å; E184-D188 VanDerWaalsContact O-CB 3.31Å; E184-D188 WeakPolarHBondContact O-CB 3.32Å; E184-D188 VanDerWaalsContact O-CG 3.3Å; E184-D188 PolarHBondContact O-N 2.86Å; E184-R489 WeakPolarHBondContact OE1-CB 3.5Å; E184-R489 PolarHBondContact OE1-N 2.85Å; E184-V490 HydrophobicContact CG-CG2 4.22Å |
| 185 | A | 95.1 | Very high | 92.6 | Very high | 1 Ų | 1 | 18.5 Ų | 18.5 | 1% | 0.008 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -57.9 | -44.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | A86 Y167 V180 R181 L182 D188 L189 | A86-A185 HydrophobicContact CB-CB 3.71Å; Y167-A185 HydrophobicContact CE1-CB 4.44Å; V180-A185 HydrophobicContact CG1-CB 3.82Å; R181-A185 PolarHBondContact O-N 3.02Å; L182-A185 PolarHBondContact O-N 2.91Å; A185-D188 PolarHBondContact O-N 2.86Å; A185-L189 WeakPolarHBondContact O-CB 3.48Å; A185-L189 WeakPolarHBondContact O-CD1 3.44Å; A185-L189 WeakPolarHBondContact O-CG 3.12Å; A185-L189 PolarHBondContact O-N 3.26Å |
| 186 | M | 95.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -65.1 | -42.4 | 178.2 | -73.9 | -57.4 | -58.8 | 0 | 0 | 112 | A86 L182 E184 T190 T194 I226 I228 L371 C373 | A86-M186 VanDerWaalsContact CA-SD 3.56Å; A86-M186 HydrophobicContact CB-CG 4.35Å; A86-M186 HydrophobicContact CB-SD 3.75Å; L182-M186 HydrophobicContact CD1-CG 4.01Å; L182-M186 HydrophobicContact CG-CG 4.24Å; L182-M186 VanDerWaalsContact O-CB 3.29Å; L182-M186 WeakPolarHBondContact O-CB 3.45Å; L182-M186 WeakPolarHBondContact O-CG 3.35Å; L182-M186 PolarHBondContact O-N 2.86Å; E184-M186 VanDerWaalsContact C-N 3.33Å; E184-M186 PolarHBondContact O-N 3.49Å; M186-T190 HydrophobicContact CE-CG2 4.37Å; M186-T190 WeakPolarHBondContact O-CB 3.32Å; M186-T190 WeakPolarHBondContact O-CG2 3.42Å; M186-T190 PolarHBondContact O-N 2.64Å; M186-T190 VanDerWaalsContact O-N 3.12Å; M186-T190 PolarHBondContact O-OG1 2.72Å; M186-T194 HydrophobicContact CB-CG2 3.83Å; M186-I226 HydrophobicContact CE-CB 3.91Å; M186-I226 HydrophobicContact CE-CD1 3.41Å; M186-I226 VanDerWaalsContact CE-CD1 3.41Å; M186-I226 HydrophobicContact CE-CG1 4.25Å; M186-I226 HydrophobicContact CE-CG2 3.69Å; M186-I228 HydrophobicContact SD-CD1 4.29Å; M186-L371 HydrophobicContact CG-CD2 4.21Å; M186-C373 HydrophobicContact CB-CB 4.38Å; M186-C373 HydrophobicContact CE-CB 3.81Å |
| 187 | M | 94.6 | Very high | 92.3 | Very high | 1 Ų | 1 | 18 Ų | 18 | 1% | 0.005 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -62.7 | -44.1 | 174.1 | -178 | 179.4 | -56.7 | 0 | 0 | 111.2 | W126 E183 E184 L189 T190 G191 V435 V490 | W126-M187 HydrophobicContact CE3-CG 3.85Å; W126-M187 HydrophobicContact CH2-SD 4.44Å; W126-M187 HydrophobicContact CZ3-CG 3.53Å; W126-M187 HydrophobicContact CZ3-SD 3.68Å; E183-M187 VanDerWaalsContact O-CB 3.27Å; E183-M187 WeakPolarHBondContact O-CB 3.43Å; E183-M187 PolarHBondContact O-N 3.09Å; E184-M187 PolarHBondContact O-N 3.01Å; M187-L189 VanDerWaalsContact C-N 3.33Å; M187-L189 PolarHBondContact O-N 2.87Å; M187-T190 PolarHBondContact O-N 3.07Å; M187-G191 VanDerWaalsContact O-CA 3.28Å; M187-G191 WeakPolarHBondContact O-CA 3.41Å; M187-G191 PolarHBondContact O-N 2.76Å; M187-V435 HydrophobicContact CE-CG2 3.92Å; M187-V435 HydrophobicContact SD-CG1 4.22Å; M187-V435 HydrophobicContact SD-CG2 3.7Å; M187-V490 HydrophobicContact CE-CB 4.03Å; M187-V490 HydrophobicContact CE-CG1 3.41Å; M187-V490 VanDerWaalsContact CE-CG1 3.41Å; M187-V490 HydrophobicContact CE-CG2 3.34Å; M187-V490 HydrophobicContact SD-CG2 4.04Å |
| 188 | D | 95.5 | Very high | 92.1 | Very high | 2 Ų | 2 | 20.7 Ų | 20.7 | 1% | 0.011 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -68.1 | -34.5 | -175 | -76.9 | 6.9 | 0 | 0 | 0 | 112.4 | F125 W126 Q127 Y167 E184 A185 | F125-D188 CarbonylContact C-O 3.6Å; F125-D188 WeakPolarHBondContact CA-O 3.3Å; W126-D188 PolarHBondContact N-O 3.1Å; W126-D188 CarbonylContact O-C 3.36Å; W126-D188 WeakPolarHBondContact O-CA 3.25Å; Q127-D188 HydrophobicContact CG-CB 4.41Å; Q127-D188 PolarHBondContact NE2-OD2 3.35Å; Y167-D188 HydrophobicContact CE2-CB 4.03Å; Y167-D188 PolarHBondContact OH-OD2 2.98Å; E184-D188 VanDerWaalsContact O-CB 3.31Å; E184-D188 WeakPolarHBondContact O-CB 3.32Å; E184-D188 VanDerWaalsContact O-CG 3.3Å; E184-D188 PolarHBondContact O-N 2.86Å; A185-D188 PolarHBondContact O-N 2.86Å |
| 189 | L | 96 | Very high | 92.1 | Very high | 5 Ų | 5 | 20.2 Ų | 20.2 | 3% | 0.026 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -78.8 | -30 | 176.8 | -66.6 | 168.8 | 0 | 0 | 0 | 113 | A86 F87 L90 V100 F125 A185 M187 | A86-L189 HydrophobicContact CB-CD1 3.71Å; F87-L189 HydrophobicContact CD1-CD1 3.7Å; F87-L189 HydrophobicContact CD1-CD2 4.4Å; F87-L189 HydrophobicContact CE1-CD1 3.99Å; F87-L189 HydrophobicContact CE1-CD2 4.07Å; L90-L189 HydrophobicContact CD1-CB 4.38Å; L90-L189 HydrophobicContact CD2-CB 4.34Å; L90-L189 HydrophobicContact CD2-CD1 4.48Å; L90-L189 HydrophobicContact CD2-CD2 4.15Å; V100-L189 HydrophobicContact CG1-CD2 4.32Å; V100-L189 WeakPolarHBondContact CG2-O 3.38Å; F125-L189 HydrophobicContact CD1-CD2 3.86Å; F125-L189 HydrophobicContact CE1-CD2 3.62Å; A185-L189 WeakPolarHBondContact O-CB 3.48Å; A185-L189 WeakPolarHBondContact O-CD1 3.44Å; A185-L189 WeakPolarHBondContact O-CG 3.12Å; A185-L189 PolarHBondContact O-N 3.26Å; M187-L189 VanDerWaalsContact C-N 3.33Å; M187-L189 PolarHBondContact O-N 2.87Å |
| 190 | T | 93.5 | Very high | 91.8 | Very high | 4 Ų | 4 | 16.4 Ų | 16.4 | 3% | 0.025 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -117.1 | -20.5 | -166.9 | 70.1 | 0 | 0 | 0 | 0 | 114.9 | L90 M186 M187 G192 I226 C373 F375 | L90-T190 HydrophobicContact CD1-CG2 4.18Å; M186-T190 HydrophobicContact CE-CG2 4.37Å; M186-T190 WeakPolarHBondContact O-CB 3.32Å; M186-T190 WeakPolarHBondContact O-CG2 3.42Å; M186-T190 PolarHBondContact O-N 2.64Å; M186-T190 VanDerWaalsContact O-N 3.12Å; M186-T190 PolarHBondContact O-OG1 2.72Å; M187-T190 PolarHBondContact O-N 3.07Å; T190-G192 PolarHBondContact O-N 3.49Å; T190-G192 PolarHBondContact OG1-N 2.87Å; T190-I226 HydrophobicContact CG2-CD1 4.46Å; T190-C373 PolarHBondContact OG1-SG 3.45Å; T190-C373 VanDerWaalsContact OG1-SG 3.38Å; T190-F375 HydrophobicContact CG2-CE1 4.2Å; T190-F375 HydrophobicContact CG2-CZ 4.27Å |
| 191 | G | 92.4 | Very high | 91.6 | Very high | 13 Ų | 13 | 22.6 Ų | 22.6 | 13% | 0.134 | 13% | 0.127 | C | C | . | . | trans | 66.8 | 7.9 | -165.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | W126 M187 R520 | W126-G191 VanDerWaalsContact CG-CA 3.5Å; M187-G191 VanDerWaalsContact O-CA 3.28Å; M187-G191 WeakPolarHBondContact O-CA 3.41Å; M187-G191 PolarHBondContact O-N 2.76Å; G191-R520 PolarHBondContact O-NH1 3.5Å; G191-R520 VanDerWaalsContact O-NH1 3.12Å | ||
| 192 | G | 92.6 | Very high | 91.5 | Very high | 4 Ų | 4 | 23.1 Ų | 23.1 | 4% | 0.041 | 13% | 0.131 | C | C | . | . | trans | -69.6 | -179.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | T190 R374 R520 | T190-G192 PolarHBondContact O-N 3.49Å; T190-G192 PolarHBondContact OG1-N 2.87Å; G192-R374 WeakPolarHBondContact CA-O 3.31Å; G192-R520 PolarHBondContact O-NH2 3.07Å | ||
| 193 | V | 93.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 121 | 175.2 | -176.6 | 0 | 0 | 0 | 0 | 108.5 | R374 P376 L431 L492 Y522 | V193-R374 PolarHBondContact N-O 2.86Å; V193-R374 PolarHBondContact O-N 3.39Å; V193-P376 HydrophobicContact CG2-CG 4.4Å; V193-L431 HydrophobicContact CB-CD2 3.85Å; V193-L431 HydrophobicContact CG1-CD1 4.4Å; V193-L431 HydrophobicContact CG1-CD2 3.71Å; V193-L431 HydrophobicContact CG1-CG 4.06Å; V193-L431 HydrophobicContact CG2-CD2 3.93Å; V193-L492 HydrophobicContact CG1-CD1 3.28Å; V193-L492 HydrophobicContact CG1-CD2 3.98Å; V193-L492 HydrophobicContact CG1-CG 4.23Å; V193-Y522 HydrophobicContact CG2-CD2 4.2Å; V193-Y522 HydrophobicContact CG2-CE2 3.34Å |
| 194 | T | 93 | Very high | 91.1 | Very high | 5 Ų | 5 | 32.4 Ų | 32.4 | 3% | 0.031 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 127.4 | -176.9 | 43.3 | 0 | 0 | 0 | 0 | 111.1 | E183 M186 I372 C373 L492 | E183-T194 WeakPolarHBondContact O-CG2 3.46Å; E183-T194 PolarHBondContact O-OG1 3.02Å; M186-T194 HydrophobicContact CB-CG2 3.83Å; T194-I372 WeakPolarHBondContact CA-O 3.33Å; T194-C373 HydrophobicContact CG2-CB 4.06Å; T194-L492 WeakPolarHBondContact O-CD2 3.21Å |
| 195 | E | 90.7 | Very high | 91 | Very high | 29 Ų | 29 | 32.5 Ų | 32.5 | 14% | 0.136 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 134.1 | 177.7 | -176.2 | 178.8 | -161.9 | 0 | 0 | 108.9 | I197 L371 I372 R374 L492 R494 | E195-I197 HydrophobicContact CG-CD1 4.37Å; E195-I197 HydrophobicContact CG-CG1 3.96Å; E195-L371 CarbonylContact O-C 3.52Å; E195-L371 WeakPolarHBondContact O-CA 3.42Å; E195-I372 HydrophobicContact CB-CB 4.4Å; E195-I372 PolarHBondContact N-O 3.07Å; E195-I372 PolarHBondContact O-N 3.44Å; E195-R374 IonicContact OE2-CZ 3.62Å; E195-R374 IonicContact OE2-NE 3.71Å; E195-R374 PolarHBondContact OE2-NE 3.47Å; E195-R374 IonicContact OE2-NH2 3.63Å; E195-R374 PolarHBondContact OE2-NH2 3.39Å; E195-L492 HydrophobicContact CB-CD2 3.42Å; E195-L492 VanDerWaalsContact CB-CD2 3.42Å; E195-L492 HydrophobicContact CG-CD2 3.8Å; E195-R494 IonicContact OE2-NH1 3.86Å |
| 196 | S | 88.3 | Confident | 90.9 | Very high | 47 Ų | 47 | 36.7 Ų | 36.7 | 33% | 0.329 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 117.6 | 176.7 | -66.2 | 0 | 0 | 0 | 0 | 108.9 | E183 | E183-S196 PolarHBondContact OE1-OG 2.85Å |
| 197 | I | 87.9 | Confident | 90.6 | Very high | 47 Ų | 47 | 40 Ų | 40 | 24% | 0.241 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 122.5 | -177.4 | -53.3 | 177.5 | 0 | 0 | 0 | 109.2 | E195 G369 V370 I372 | E195-I197 HydrophobicContact CG-CD1 4.37Å; E195-I197 HydrophobicContact CG-CG1 3.96Å; I197-G369 CarbonylContact O-C 3.49Å; I197-G369 WeakPolarHBondContact O-CA 3.06Å; I197-V370 HydrophobicContact CB-CG1 3.76Å; I197-V370 HydrophobicContact CD1-CG1 4.4Å; I197-V370 HydrophobicContact CG1-CG1 4.4Å; I197-V370 HydrophobicContact CG2-CG1 4.47Å; I197-V370 PolarHBondContact N-O 3.4Å; I197-V370 PolarHBondContact O-N 2.9Å; I197-I372 HydrophobicContact CD1-CD1 3.67Å |
| 198 | S | 88.6 | Confident | 90.4 | Very high | 56 Ų | 56 | 46.4 Ų | 46.4 | 39% | 0.392 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 135.5 | 173.6 | -178.8 | 0 | 0 | 0 | 0 | 111.6 | Q200 F249 | S198-Q200 PolarHBondContact OG-N 3.4Å; S198-F249 VanDerWaalsContact CA-CE2 3.42Å |
| 199 | L | 90.5 | Very high | 90.2 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 30% | 0.299 | C | S | . | . | trans | -101.5 | -4.4 | 178.4 | -61 | 174.5 | 0 | 0 | 0 | 113.3 | N201 L202 Y203 F213 F229 L364 M367 S368 V370 | L199-N201 VanDerWaalsContact C-N 3.32Å; L199-N201 PolarHBondContact O-N 3.22Å; L199-L202 HydrophobicContact CD2-CD2 3.85Å; L199-L202 PolarHBondContact O-N 3.5Å; L199-Y203 PolarHBondContact O-N 3.49Å; L199-F213 HydrophobicContact CD2-CD2 4.4Å; L199-F213 HydrophobicContact CD2-CE1 4.1Å; L199-F213 HydrophobicContact CD2-CE2 3.7Å; L199-F213 HydrophobicContact CD2-CZ 3.53Å; L199-F229 HydrophobicContact CD1-CD1 3.93Å; L199-F229 HydrophobicContact CD1-CE1 3.88Å; L199-L364 HydrophobicContact CD2-CD2 4.14Å; L199-M367 HydrophobicContact CD1-CB 3.74Å; L199-S368 PolarHBondContact N-O 3.17Å; L199-V370 HydrophobicContact CD2-CG1 4.44Å | ||
| 200 | Q | 83.3 | Confident | 90.1 | Very high | 78 Ų | 78 | 54.1 Ų | 54.1 | 36% | 0.364 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -50.2 | -49.4 | -176 | -70.5 | 176.3 | -12.7 | 0 | 0 | 113.1 | S198 H247 | S198-Q200 PolarHBondContact OG-N 3.4Å; Q200-H247 PolarHBondContact NE2-CD2 3.11Å; Q200-H247 VanDerWaalsContact NE2-CG 3.35Å |
| 201 | N | 85.4 | Confident | 90 | Very high | 136 Ų | 136 | 55.1 Ų | 55.1 | 73% | 0.727 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -84.2 | -11.9 | -177.5 | -64.8 | -31.5 | 0 | 0 | 0 | 113.1 | L199 A205 | L199-N201 VanDerWaalsContact C-N 3.32Å; L199-N201 PolarHBondContact O-N 3.22Å; N201-A205 WeakPolarHBondContact O-CB 3.43Å; N201-A205 PolarHBondContact O-N 3.46Å |
| 202 | L | 88.4 | Confident | 90 | Very high | 28 Ų | 28 | 59.1 Ų | 59.1 | 15% | 0.147 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -80.6 | -31 | -176.4 | -169.7 | 63.4 | 0 | 0 | 0 | 111.9 | L199 S204 A205 K209 Q210 F213 L364 | L199-L202 HydrophobicContact CD2-CD2 3.85Å; L199-L202 PolarHBondContact O-N 3.5Å; L202-S204 PolarHBondContact O-N 3.43Å; L202-A205 HydrophobicContact CD1-CB 4.16Å; L202-A205 VanDerWaalsContact O-CB 3.31Å; L202-A205 WeakPolarHBondContact O-CB 3.23Å; L202-A205 PolarHBondContact O-N 2.73Å; L202-K209 HydrophobicContact CD1-CB 4.03Å; L202-Q210 HydrophobicContact CG-CG 4.49Å; L202-Q210 WeakPolarHBondContact O-CG 3.4Å; L202-Q210 PolarHBondContact O-NE2 3.3Å; L202-F213 HydrophobicContact CD2-CB 3.57Å; L202-F213 HydrophobicContact CD2-CD1 3.72Å; L202-F213 HydrophobicContact CD2-CD2 3.7Å; L202-F213 HydrophobicContact CD2-CE1 4.34Å; L202-F213 HydrophobicContact CD2-CE2 4.32Å; L202-F213 HydrophobicContact CD2-CG 3.36Å; L202-L364 HydrophobicContact CB-CD2 4.25Å; L202-L364 HydrophobicContact CD2-CD2 3.57Å; L202-L364 HydrophobicContact CG-CD1 4.3Å; L202-L364 HydrophobicContact CG-CD2 3.93Å |
| 203 | Y | 86.9 | Confident | 90.1 | Very high | 102 Ų | 102 | 59.9 Ų | 59.9 | 40% | 0.4 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -60.3 | -44.2 | 174.9 | -179.2 | -113.3 | 0 | 0 | 0 | 112.2 | L199 A205 Q210 L364 Q365 | L199-Y203 PolarHBondContact O-N 3.49Å; Y203-A205 VanDerWaalsContact C-N 3.31Å; Y203-Q210 PolarHBondContact O-NE2 3Å; Y203-L364 HydrophobicContact CD2-CB 3.81Å; Y203-L364 HydrophobicContact CG-CB 4.45Å; Y203-Q365 HydrophobicContact CD2-CB 4.16Å; Y203-Q365 HydrophobicContact CE2-CB 3.75Å; Y203-Q365 HydrophobicContact CE2-CG 4.27Å |
| 204 | S | 89.1 | Confident | 90.2 | Very high | 105 Ų | 105 | 60.1 Ų | 60.1 | 73% | 0.734 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | 1.1 | 177.3 | -52.2 | 0 | 0 | 0 | 0 | 113.9 | L202 | L202-S204 PolarHBondContact O-N 3.43Š|
| 205 | A | 91.1 | Very high | 90.2 | Very high | 19 Ų | 19 | 64.3 Ų | 64.3 | 16% | 0.157 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -74.1 | 158.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | N201 L202 Y203 K209 Q210 | N201-A205 WeakPolarHBondContact O-CB 3.43Å; N201-A205 PolarHBondContact O-N 3.46Å; L202-A205 HydrophobicContact CD1-CB 4.16Å; L202-A205 VanDerWaalsContact O-CB 3.31Å; L202-A205 WeakPolarHBondContact O-CB 3.23Å; L202-A205 PolarHBondContact O-N 2.73Å; Y203-A205 VanDerWaalsContact C-N 3.31Å; A205-K209 HydrophobicContact CB-CB 4.05Å; A205-K209 HydrophobicContact CB-CD 4.13Å; A205-Q210 PolarHBondContact O-NE2 3.12Å |
| 206 | P | 92.3 | Very high | 90.3 | Very high | 90 Ų | 90 | 65.4 Ų | 65.4 | 58% | 0.584 | 36% | 0.358 | S | S | * | . | trans | -55 | 143.7 | 171.6 | -24.2 | 33.8 | 0 | 0 | 0 | 111.8 | M208 K209 | P206-M208 PolarHBondContact O-N 3.38Å; P206-K209 PolarHBondContact O-N 3.02Å | ||
| 207 | A | 88.6 | Confident | 90.7 | Very high | 70 Ų | 70 | 63.2 Ų | 63.2 | 58% | 0.579 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -49.1 | -36.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | K209 Q210 V211 | A207-K209 VanDerWaalsContact C-N 3.3Å; A207-K209 PolarHBondContact O-N 3.34Å; A207-Q210 WeakPolarHBondContact O-CB 3.26Å; A207-Q210 PolarHBondContact O-N 3.36Å; A207-Q210 VanDerWaalsContact O-N 3.12Å; A207-V211 WeakPolarHBondContact O-CG2 3.47Å; A207-V211 PolarHBondContact O-N 3.45Å |
| 208 | M | 90.5 | Very high | 91 | Very high | 135 Ų | 135 | 65.3 Ų | 65.3 | 67% | 0.665 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -56 | -41.1 | 176.6 | -172.8 | 63.8 | 72.5 | 0 | 0 | 113 | P206 Q210 V211 L212 | P206-M208 PolarHBondContact O-N 3.38Å; M208-Q210 VanDerWaalsContact C-N 3.35Å; M208-V211 PolarHBondContact O-N 3Å; M208-L212 HydrophobicContact CG-CD1 4.39Å; M208-L212 WeakPolarHBondContact O-CG 3.47Å; M208-L212 PolarHBondContact O-N 2.95Å |
| 209 | K | 92.1 | Very high | 91.1 | Very high | 129 Ų | 129 | 65.9 Ų | 65.9 | 56% | 0.561 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -67.6 | -36.9 | 178.3 | -71.6 | -167.9 | 175.8 | -176.8 | 0 | 111.8 | L202 A205 P206 A207 V211 L212 F213 | L202-K209 HydrophobicContact CD1-CB 4.03Å; A205-K209 HydrophobicContact CB-CB 4.05Å; A205-K209 HydrophobicContact CB-CD 4.13Å; P206-K209 PolarHBondContact O-N 3.02Å; A207-K209 VanDerWaalsContact C-N 3.3Å; A207-K209 PolarHBondContact O-N 3.34Å; K209-V211 VanDerWaalsContact C-N 3.35Å; K209-L212 PolarHBondContact O-N 2.99Å; K209-F213 PolarHBondContact O-N 3.4Å |
| 210 | Q | 93.2 | Very high | 91.3 | Very high | 39 Ų | 39 | 65.9 Ų | 65.9 | 18% | 0.182 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -66.1 | -39.8 | 176.3 | -58 | 179.8 | -5.7 | 0 | 0 | 111.1 | L202 Y203 A205 A207 M208 F213 F214 L360 L364 | L202-Q210 HydrophobicContact CG-CG 4.49Å; L202-Q210 WeakPolarHBondContact O-CG 3.4Å; L202-Q210 PolarHBondContact O-NE2 3.3Å; Y203-Q210 PolarHBondContact O-NE2 3Å; A205-Q210 PolarHBondContact O-NE2 3.12Å; A207-Q210 WeakPolarHBondContact O-CB 3.26Å; A207-Q210 PolarHBondContact O-N 3.36Å; A207-Q210 VanDerWaalsContact O-N 3.12Å; M208-Q210 VanDerWaalsContact C-N 3.35Å; Q210-F213 PolarHBondContact O-N 3.44Å; Q210-F214 PolarHBondContact O-N 3.06Å; Q210-L360 HydrophobicContact CB-CD2 4.32Å; Q210-L364 HydrophobicContact CB-CD1 3.93Å; Q210-L364 HydrophobicContact CG-CD1 3.6Å |
| 211 | V | 91.5 | Very high | 91.7 | Very high | 26 Ų | 26 | 63.7 Ų | 63.7 | 16% | 0.158 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -63.2 | -47.6 | 174.7 | 174.6 | 0 | 0 | 0 | 0 | 111.4 | A207 M208 K209 F213 F214 E215 R304 | A207-V211 WeakPolarHBondContact O-CG2 3.47Å; A207-V211 PolarHBondContact O-N 3.45Å; M208-V211 PolarHBondContact O-N 3Å; K209-V211 VanDerWaalsContact C-N 3.35Å; V211-F213 VanDerWaalsContact C-N 3.27Å; V211-F213 PolarHBondContact O-N 3.17Å; V211-F214 WeakPolarHBondContact O-CB 3.48Å; V211-F214 PolarHBondContact O-N 2.81Å; V211-F214 VanDerWaalsContact O-N 3.11Å; V211-E215 HydrophobicContact CG1-CG 4.47Å; V211-E215 WeakPolarHBondContact CG1-OE1 3.49Å; V211-E215 WeakPolarHBondContact O-CG 3.35Å; V211-E215 PolarHBondContact O-N 2.78Å; V211-R304 VanDerWaalsContact CG1-NH2 3.32Å; V211-R304 VanDerWaalsContact CG2-CZ 3.47Å |
| 212 | L | 92.8 | Very high | 92 | Very high | 97 Ų | 97 | 63 Ų | 63 | 51% | 0.508 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -60.2 | -37.5 | 177.2 | -71.5 | 171.5 | 0 | 0 | 0 | 112.3 | M208 K209 E215 Q216 | M208-L212 HydrophobicContact CG-CD1 4.39Å; M208-L212 WeakPolarHBondContact O-CG 3.47Å; M208-L212 PolarHBondContact O-N 2.95Å; K209-L212 PolarHBondContact O-N 2.99Å; L212-E215 PolarHBondContact O-N 2.8Å; L212-Q216 WeakPolarHBondContact O-CB 3.29Å; L212-Q216 PolarHBondContact O-N 3.47Å |
| 213 | F | 94.7 | Very high | 91.9 | Very high | 20 Ų | 20 | 65.6 Ų | 65.6 | 9% | 0.088 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -62.8 | -45.4 | 173.7 | 173.8 | -99.7 | 0 | 0 | 0 | 111.9 | L199 L202 K209 Q210 V211 E215 Q216 M217 F229 L360 L364 V370 | L199-F213 HydrophobicContact CD2-CD2 4.4Å; L199-F213 HydrophobicContact CD2-CE1 4.1Å; L199-F213 HydrophobicContact CD2-CE2 3.7Å; L199-F213 HydrophobicContact CD2-CZ 3.53Å; L202-F213 HydrophobicContact CD2-CB 3.57Å; L202-F213 HydrophobicContact CD2-CD1 3.72Å; L202-F213 HydrophobicContact CD2-CD2 3.7Å; L202-F213 HydrophobicContact CD2-CE1 4.34Å; L202-F213 HydrophobicContact CD2-CE2 4.32Å; L202-F213 HydrophobicContact CD2-CG 3.36Å; K209-F213 PolarHBondContact O-N 3.4Å; Q210-F213 PolarHBondContact O-N 3.44Å; V211-F213 VanDerWaalsContact C-N 3.27Å; V211-F213 PolarHBondContact O-N 3.17Å; F213-E215 PolarHBondContact O-N 3.34Å; F213-Q216 WeakPolarHBondContact O-CB 2.97Å; F213-Q216 PolarHBondContact O-N 2.91Å; F213-M217 HydrophobicContact CD1-CG 4.34Å; F213-M217 HydrophobicContact CD2-CE 4.29Å; F213-M217 HydrophobicContact CE1-CG 3.88Å; F213-M217 HydrophobicContact CE1-SD 4.42Å; F213-M217 HydrophobicContact CE2-CE 3.81Å; F213-M217 HydrophobicContact CE2-CG 4.27Å; F213-M217 HydrophobicContact CE2-SD 4.02Å; F213-M217 HydrophobicContact CZ-CE 4.19Å; F213-M217 HydrophobicContact CZ-CG 3.83Å; F213-M217 HydrophobicContact CZ-SD 3.77Å; F213-M217 WeakPolarHBondContact O-CG 3.46Å; F213-M217 PolarHBondContact O-N 2.78Å; F213-F229 HydrophobicContact CE1-CE1 4.15Å; F213-F229 HydrophobicContact CE1-CZ 4.18Å; F213-F229 AromaticContact CZ-CE1 3.9Å; F213-F229 HydrophobicContact CZ-CE1 3.9Å; F213-F229 AromaticContact CZ-CZ 3.98Å; F213-F229 HydrophobicContact CZ-CZ 3.98Å; F213-L360 HydrophobicContact CD1-CD1 4.17Å; F213-L360 HydrophobicContact CE1-CD1 4.44Å; F213-L364 HydrophobicContact CD1-CD2 4.37Å; F213-L364 HydrophobicContact CE1-CD2 4.35Å; F213-V370 HydrophobicContact CE2-CG1 4.05Å; F213-V370 HydrophobicContact CZ-CG1 4.05Å |
| 214 | F | 94.9 | Very high | 92.1 | Very high | 5 Ų | 5 | 66.2 Ų | 66.2 | 2% | 0.022 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -60 | -45.2 | 176.9 | -179.8 | -89 | 0 | 0 | 0 | 112.2 | Q210 V211 Q216 M217 E218 V276 A278 R304 M306 L360 | Q210-F214 PolarHBondContact O-N 3.06Å; V211-F214 WeakPolarHBondContact O-CB 3.48Å; V211-F214 PolarHBondContact O-N 2.81Å; V211-F214 VanDerWaalsContact O-N 3.11Å; F214-Q216 VanDerWaalsContact C-N 3.29Å; F214-Q216 PolarHBondContact O-N 2.95Å; F214-M217 PolarHBondContact O-N 3.4Å; F214-E218 PolarHBondContact O-N 2.86Å; F214-V276 HydrophobicContact CE1-CB 4.43Å; F214-V276 HydrophobicContact CE2-CB 3.97Å; F214-V276 HydrophobicContact CE2-CG1 4.28Å; F214-V276 HydrophobicContact CZ-CB 3.77Å; F214-V276 HydrophobicContact CZ-CG2 4.4Å; F214-A278 HydrophobicContact CE1-CB 4.44Å; F214-R304 HydrophobicContact CD1-CG 4.19Å; F214-R304 HydrophobicContact CD2-CB 3.84Å; F214-R304 HydrophobicContact CD2-CG 4.36Å; F214-R304 HydrophobicContact CE1-CB 4.39Å; F214-R304 HydrophobicContact CE1-CG 4.14Å; F214-R304 HydrophobicContact CE2-CB 3.67Å; F214-R304 HydrophobicContact CE2-CG 4.29Å; F214-R304 HydrophobicContact CG-CB 4.27Å; F214-R304 HydrophobicContact CG-CG 4.3Å; F214-R304 HydrophobicContact CZ-CB 3.95Å; F214-R304 HydrophobicContact CZ-CG 4.17Å; F214-M306 HydrophobicContact CD2-CG 4.11Å; F214-M306 HydrophobicContact CD2-SD 4.3Å; F214-M306 HydrophobicContact CE2-CG 3.86Å; F214-L360 HydrophobicContact CB-CD1 4.48Å; F214-L360 HydrophobicContact CB-CD2 3.88Å; F214-L360 HydrophobicContact CD2-CB 4.48Å; F214-L360 HydrophobicContact CD2-CD1 4.38Å; F214-L360 HydrophobicContact CD2-CD2 4.28Å; F214-L360 HydrophobicContact CG-CD2 4.41Å |
| 215 | E | 93.2 | Very high | 92.3 | Very high | 93 Ų | 93 | 61.4 Ų | 61.4 | 44% | 0.435 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63.3 | -35.7 | 175.9 | -69.2 | 172.9 | -179.7 | 0 | 0 | 111.8 | V211 L212 F213 E218 K219 | V211-E215 HydrophobicContact CG1-CG 4.47Å; V211-E215 WeakPolarHBondContact CG1-OE1 3.49Å; V211-E215 WeakPolarHBondContact O-CG 3.35Å; V211-E215 PolarHBondContact O-N 2.78Å; L212-E215 PolarHBondContact O-N 2.8Å; F213-E215 PolarHBondContact O-N 3.34Å; E215-E218 WeakPolarHBondContact O-CB 3.46Å; E215-E218 PolarHBondContact O-N 2.88Å; E215-K219 PolarHBondContact O-N 2.81Å |
| 216 | Q | 93.2 | Very high | 92.5 | Very high | 52 Ų | 52 | 60.7 Ų | 60.7 | 24% | 0.243 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -65.9 | -38.9 | 173.9 | -175.1 | 58.3 | 53.7 | 0 | 0 | 112 | L212 F213 F214 E218 K219 D220 | L212-Q216 WeakPolarHBondContact O-CB 3.29Å; L212-Q216 PolarHBondContact O-N 3.47Å; F213-Q216 WeakPolarHBondContact O-CB 2.97Å; F213-Q216 PolarHBondContact O-N 2.91Å; F214-Q216 VanDerWaalsContact C-N 3.29Å; F214-Q216 PolarHBondContact O-N 2.95Å; Q216-E218 VanDerWaalsContact C-N 3.34Å; Q216-K219 PolarHBondContact O-N 3.14Å; Q216-D220 PolarHBondContact NE2-OD1 2.9Å; Q216-D220 WeakPolarHBondContact O-CB 3.47Å; Q216-D220 PolarHBondContact O-N 2.9Å |
| 217 | M | 96.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -65.2 | -38.2 | 175.1 | -63.8 | -58.8 | 92.7 | 0 | 0 | 111.9 | F213 F214 D220 L221 V227 F229 L273 V276 M306 V370 I372 | F213-M217 HydrophobicContact CD1-CG 4.34Å; F213-M217 HydrophobicContact CD2-CE 4.29Å; F213-M217 HydrophobicContact CE1-CG 3.88Å; F213-M217 HydrophobicContact CE1-SD 4.42Å; F213-M217 HydrophobicContact CE2-CE 3.81Å; F213-M217 HydrophobicContact CE2-CG 4.27Å; F213-M217 HydrophobicContact CE2-SD 4.02Å; F213-M217 HydrophobicContact CZ-CE 4.19Å; F213-M217 HydrophobicContact CZ-CG 3.83Å; F213-M217 HydrophobicContact CZ-SD 3.77Å; F213-M217 WeakPolarHBondContact O-CG 3.46Å; F213-M217 PolarHBondContact O-N 2.78Å; F214-M217 PolarHBondContact O-N 3.4Å; M217-D220 WeakPolarHBondContact CE-OD2 3.38Å; M217-D220 PolarHBondContact O-N 2.92Å; M217-L221 WeakPolarHBondContact O-CG 3.31Å; M217-L221 PolarHBondContact O-N 2.86Å; M217-V227 HydrophobicContact SD-CG1 3.87Å; M217-F229 HydrophobicContact CG-CZ 4.31Å; M217-F229 HydrophobicContact SD-CZ 4.06Å; M217-L273 HydrophobicContact CB-CD2 4.04Å; M217-V276 HydrophobicContact CB-CG1 4.45Å; M217-M306 HydrophobicContact CB-CE 4.15Å; M217-M306 HydrophobicContact CG-CE 4.01Å; M217-V370 HydrophobicContact SD-CG2 4.44Å; M217-I372 HydrophobicContact CE-CD1 3.72Å; M217-I372 HydrophobicContact SD-CD1 4.36Å |
| 218 | E | 94.3 | Very high | 93 | Very high | 91 Ų | 91 | 53 Ų | 53 | 43% | 0.425 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -58.8 | -50.3 | 172.3 | -169.3 | 169.1 | -160.5 | 0 | 0 | 111.1 | F214 E215 Q216 D220 L221 I222 V276 | F214-E218 PolarHBondContact O-N 2.86Å; E215-E218 WeakPolarHBondContact O-CB 3.46Å; E215-E218 PolarHBondContact O-N 2.88Å; Q216-E218 VanDerWaalsContact C-N 3.34Å; E218-D220 VanDerWaalsContact C-N 3.31Å; E218-D220 PolarHBondContact O-N 2.91Å; E218-L221 PolarHBondContact O-N 3.19Å; E218-I222 HydrophobicContact CG-CD1 4.12Å; E218-I222 WeakPolarHBondContact O-CG1 2.91Å; E218-I222 PolarHBondContact O-N 3.02Å; E218-V276 HydrophobicContact CB-CG2 3.54Å; E218-V276 HydrophobicContact CG-CG2 3.63Å |
| 219 | K | 91.8 | Very high | 93.2 | Very high | 69 Ų | 69 | 46.6 Ų | 46.6 | 30% | 0.3 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -58.5 | -43.2 | 176.6 | -176 | -178.7 | 173.6 | -172.4 | 0 | 111.8 | E215 Q216 L221 I222 D223 | E215-K219 PolarHBondContact O-N 2.81Å; Q216-K219 PolarHBondContact O-N 3.14Å; K219-L221 VanDerWaalsContact C-N 3.33Å; K219-L221 PolarHBondContact O-N 2.87Å; K219-I222 WeakPolarHBondContact O-CB 3.21Å; K219-I222 PolarHBondContact O-N 2.92Å; K219-D223 WeakPolarHBondContact CE-OD2 3.37Å; K219-D223 WeakPolarHBondContact O-CB 3.22Å; K219-D223 PolarHBondContact O-N 3.31Å |
| 220 | D | 93.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64.5 | -36.8 | -179.3 | -71.3 | -17.5 | 0 | 0 | 0 | 112.2 | Q216 M217 E218 D223 E224 C225 V227 I372 R374 | Q216-D220 PolarHBondContact NE2-OD1 2.9Å; Q216-D220 WeakPolarHBondContact O-CB 3.47Å; Q216-D220 PolarHBondContact O-N 2.9Å; M217-D220 WeakPolarHBondContact CE-OD2 3.38Å; M217-D220 PolarHBondContact O-N 2.92Å; E218-D220 VanDerWaalsContact C-N 3.31Å; E218-D220 PolarHBondContact O-N 2.91Å; D220-D223 PolarHBondContact O-N 3.09Å; D220-E224 PolarHBondContact O-N 2.77Å; D220-C225 HydrophobicContact CB-CB 4.24Å; D220-C225 WeakPolarHBondContact O-CB 3.4Å; D220-C225 PolarHBondContact O-N 3.02Å; D220-C225 PolarHBondContact O-SG 2.88Å; D220-C225 VanDerWaalsContact O-SG 3.38Å; D220-V227 HydrophobicContact CB-CG2 4.11Å; D220-I372 WeakPolarHBondContact OD2-CD1 3.29Å; D220-R374 VanDerWaalsContact CG-NH1 3.32Å; D220-R374 IonicContact OD1-CZ 2.87Å; D220-R374 IonicContact OD1-NH1 3.75Å; D220-R374 PolarHBondContact OD1-NH1 3.08Å; D220-R374 IonicContact OD1-NH2 3.69Å; D220-R374 PolarHBondContact OD1-NH2 2.85Å; D220-R374 IonicContact OD2-CZ 2.73Å; D220-R374 IonicContact OD2-NH1 2.78Å; D220-R374 IonicContact OD2-NH2 2.86Å; D220-R374 PolarHBondContact OD2-NH2 3.42Å |
| 221 | L | 92.6 | Very high | 93 | Very high | 32 Ų | 32 | 39.1 Ų | 39.1 | 17% | 0.168 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -66.3 | -41.9 | 172.3 | -70.3 | 178.3 | 0 | 0 | 0 | 112.2 | M217 E218 K219 D223 E224 V227 L273 V276 | M217-L221 WeakPolarHBondContact O-CG 3.31Å; M217-L221 PolarHBondContact O-N 2.86Å; E218-L221 PolarHBondContact O-N 3.19Å; K219-L221 VanDerWaalsContact C-N 3.33Å; K219-L221 PolarHBondContact O-N 2.87Å; L221-D223 VanDerWaalsContact C-N 3.31Å; L221-E224 WeakPolarHBondContact O-CA 3.28Å; L221-E224 PolarHBondContact O-N 3.01Å; L221-V227 HydrophobicContact CD2-CG2 4.41Å; L221-L273 HydrophobicContact CD1-CD2 3.81Å; L221-L273 HydrophobicContact CD1-CG 4Å; L221-L273 HydrophobicContact CD2-CD2 4.13Å; L221-L273 HydrophobicContact CD2-CG 4.23Å; L221-L273 HydrophobicContact CG-CD2 3.97Å; L221-L273 HydrophobicContact CG-CG 4.43Å; L221-V276 HydrophobicContact CD1-CG1 4.16Å; L221-V276 HydrophobicContact CD1-CG2 4.41Å |
| 222 | I | 90.1 | Very high | 92.8 | Very high | 121 Ų | 121 | 41.1 Ų | 41.1 | 62% | 0.621 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -62.4 | -39.9 | 175.9 | -67.9 | 165.7 | 0 | 0 | 0 | 110.9 | E218 K219 E224 | E218-I222 HydrophobicContact CG-CD1 4.12Å; E218-I222 WeakPolarHBondContact O-CG1 2.91Å; E218-I222 PolarHBondContact O-N 3.02Å; K219-I222 WeakPolarHBondContact O-CB 3.21Å; K219-I222 PolarHBondContact O-N 2.92Å; I222-E224 PolarHBondContact O-N 2.69Å |
| 223 | D | 88 | Confident | 92 | Very high | 82 Ų | 82 | 41.5 Ų | 41.5 | 44% | 0.439 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | 12.3 | 175.2 | -70.8 | -21 | 0 | 0 | 0 | 112.6 | K219 D220 L221 C225 | K219-D223 WeakPolarHBondContact CE-OD2 3.37Å; K219-D223 WeakPolarHBondContact O-CB 3.22Å; K219-D223 PolarHBondContact O-N 3.31Å; D220-D223 PolarHBondContact O-N 3.09Å; L221-D223 VanDerWaalsContact C-N 3.31Å; D223-C225 PolarHBondContact O-N 3.47Å |
| 224 | E | 90.3 | Very high | 90.8 | Very high | 115 Ų | 115 | 43.6 Ų | 43.6 | 54% | 0.537 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.1 | 24.7 | 177 | -68.9 | -69.1 | 159.9 | 0 | 0 | 114.2 | K93 D220 L221 I222 F375 | K93-E224 WeakPolarHBondContact CE-O 3.15Å; K93-E224 PolarHBondContact NZ-O 2.76Å; K93-E224 IonicContact NZ-OE2 3.11Å; K93-E224 PolarHBondContact NZ-OE2 3.02Å; D220-E224 PolarHBondContact O-N 2.77Å; L221-E224 WeakPolarHBondContact O-CA 3.28Å; L221-E224 PolarHBondContact O-N 3.01Å; I222-E224 PolarHBondContact O-N 2.69Å; E224-F375 WeakPolarHBondContact O-CD2 3.44Å; E224-F375 WeakPolarHBondContact O-CE2 3.36Å |
| 225 | C | 94.1 | Very high | 89.1 | Confident | 5 Ų | 5 | 48 Ų | 48 | 3% | 0.034 | 24% | 0.243 | C | C | . | . | trans | -67.9 | 159.2 | 174.5 | -57.9 | 0 | 0 | 0 | 0 | 111.1 | K93 D220 D223 V227 I372 C373 | K93-C225 VanDerWaalsContact CE-O 3.25Å; K93-C225 WeakPolarHBondContact CE-O 3.27Å; K93-C225 PolarHBondContact NZ-O 2.84Å; D220-C225 HydrophobicContact CB-CB 4.24Å; D220-C225 WeakPolarHBondContact O-CB 3.4Å; D220-C225 PolarHBondContact O-N 3.02Å; D220-C225 PolarHBondContact O-SG 2.88Å; D220-C225 VanDerWaalsContact O-SG 3.38Å; D223-C225 PolarHBondContact O-N 3.47Å; C225-V227 HydrophobicContact CB-CG2 4.34Å; C225-I372 HydrophobicContact CB-CG2 3.98Å; C225-C373 WeakPolarHBondContact CA-O 3.43Å; C225-C373 WeakPolarHBondContact CB-O 3.45Å | ||
| 226 | I | 95.3 | Very high | 87 | Confident | 3 Ų | 3 | 51.5 Ų | 51.5 | 2% | 0.015 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 119.3 | 167.7 | -60.9 | 168.9 | 0 | 0 | 0 | 106.9 | G89 K93 M186 T190 I228 L272 I372 C373 F375 | G89-I226 WeakPolarHBondContact O-CD1 3.34Å; K93-I226 HydrophobicContact CB-CD1 4.4Å; K93-I226 HydrophobicContact CD-CG1 4.35Å; K93-I226 HydrophobicContact CG-CD1 3.67Å; K93-I226 HydrophobicContact CG-CG1 3.53Å; M186-I226 HydrophobicContact CE-CB 3.91Å; M186-I226 HydrophobicContact CE-CD1 3.41Å; M186-I226 VanDerWaalsContact CE-CD1 3.41Å; M186-I226 HydrophobicContact CE-CG1 4.25Å; M186-I226 HydrophobicContact CE-CG2 3.69Å; T190-I226 HydrophobicContact CG2-CD1 4.46Å; I226-I228 HydrophobicContact CG2-CD1 4.03Å; I226-I228 HydrophobicContact CG2-CG1 4.09Å; I226-L272 HydrophobicContact CG2-CD1 3.74Å; I226-I372 CarbonylContact O-C 3.59Å; I226-I372 WeakPolarHBondContact O-CA 3.46Å; I226-C373 HydrophobicContact CB-CB 4.19Å; I226-C373 PolarHBondContact N-O 2.85Å; I226-C373 PolarHBondContact O-N 3.06Å; I226-F375 HydrophobicContact CD1-CE2 4.29Å; I226-F375 HydrophobicContact CD1-CZ 3.89Å; I226-F375 HydrophobicContact CG1-CE2 4.12Å; I226-F375 HydrophobicContact CG1-CZ 4.18Å |
| 227 | V | 95.7 | Very high | 84.8 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 120.6 | -173.4 | 178.8 | 0 | 0 | 0 | 0 | 108.9 | M217 D220 L221 C225 F229 L273 V370 I372 | M217-V227 HydrophobicContact SD-CG1 3.87Å; D220-V227 HydrophobicContact CB-CG2 4.11Å; L221-V227 HydrophobicContact CD2-CG2 4.41Å; C225-V227 HydrophobicContact CB-CG2 4.34Å; V227-F229 HydrophobicContact CG1-CD2 4.39Å; V227-F229 HydrophobicContact CG1-CE2 3.82Å; V227-L273 HydrophobicContact CB-CB 3.97Å; V227-L273 HydrophobicContact CB-CD2 4.14Å; V227-L273 HydrophobicContact CG1-CB 3.91Å; V227-L273 HydrophobicContact CG1-CD2 3.79Å; V227-L273 HydrophobicContact CG1-CG 4.49Å; V227-L273 PolarHBondContact O-N 3.2Å; V227-V370 HydrophobicContact CG1-CG2 3.56Å; V227-I372 HydrophobicContact CG1-CG1 4.45Å; V227-I372 HydrophobicContact CG2-CG1 4.5Å; V227-I372 HydrophobicContact CG2-CG2 4.19Å |
| 228 | I | 94.8 | Very high | 82 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 115 | -172.9 | -61.6 | 167.8 | 0 | 0 | 0 | 109.5 | L85 L182 M186 I226 Y271 L272 V370 L371 | L85-I228 HydrophobicContact CD1-CD1 4.36Å; L85-I228 HydrophobicContact CD1-CG2 3.91Å; L85-I228 HydrophobicContact CD2-CG2 3.78Å; L85-I228 HydrophobicContact CG-CD1 4.16Å; L85-I228 HydrophobicContact CG-CG2 4.1Å; L182-I228 HydrophobicContact CD1-CD1 4.36Å; L182-I228 HydrophobicContact CD2-CB 4.46Å; L182-I228 HydrophobicContact CD2-CD1 4.09Å; L182-I228 HydrophobicContact CD2-CG2 3.97Å; M186-I228 HydrophobicContact SD-CD1 4.29Å; I226-I228 HydrophobicContact CG2-CD1 4.03Å; I226-I228 HydrophobicContact CG2-CG1 4.09Å; I228-Y271 CarbonylContact C-O 3.57Å; I228-Y271 WeakPolarHBondContact CA-O 3.47Å; I228-L272 HydrophobicContact CG1-CD1 4.04Å; I228-V370 CarbonylContact O-C 3.48Å; I228-V370 WeakPolarHBondContact O-CA 3.42Å; I228-V370 WeakPolarHBondContact O-CG2 3.36Å; I228-L371 HydrophobicContact CD1-CD2 4.4Å; I228-L371 PolarHBondContact N-O 3.2Å; I228-L371 PolarHBondContact O-N 2.92Å |
| 229 | F | 94.4 | Very high | 79.2 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 136.4 | 174.3 | -76.2 | -90.2 | 0 | 0 | 0 | 110.6 | L199 F213 M217 V227 G270 Y271 L273 M306 L308 I363 M367 V370 | L199-F229 HydrophobicContact CD1-CD1 3.93Å; L199-F229 HydrophobicContact CD1-CE1 3.88Å; F213-F229 HydrophobicContact CE1-CE1 4.15Å; F213-F229 HydrophobicContact CE1-CZ 4.18Å; F213-F229 AromaticContact CZ-CE1 3.9Å; F213-F229 HydrophobicContact CZ-CE1 3.9Å; F213-F229 AromaticContact CZ-CZ 3.98Å; F213-F229 HydrophobicContact CZ-CZ 3.98Å; M217-F229 HydrophobicContact CG-CZ 4.31Å; M217-F229 HydrophobicContact SD-CZ 4.06Å; V227-F229 HydrophobicContact CG1-CD2 4.39Å; V227-F229 HydrophobicContact CG1-CE2 3.82Å; F229-G270 CarbonylContact O-C 3.5Å; F229-G270 VanDerWaalsContact O-CA 3.3Å; F229-G270 WeakPolarHBondContact O-CA 3.43Å; F229-Y271 PolarHBondContact N-O 2.75Å; F229-Y271 PolarHBondContact O-N 3.02Å; F229-L273 HydrophobicContact CD2-CB 4.13Å; F229-L273 HydrophobicContact CE2-CB 3.95Å; F229-L273 HydrophobicContact CE2-CD1 4.34Å; F229-L273 HydrophobicContact CE2-CD2 4.05Å; F229-L273 HydrophobicContact CE2-CG 4.32Å; F229-M306 HydrophobicContact CE1-CE 4.45Å; F229-M306 HydrophobicContact CE2-CE 3.57Å; F229-M306 HydrophobicContact CZ-CE 3.43Å; F229-M306 VanDerWaalsContact CZ-CE 3.43Å; F229-M306 HydrophobicContact CZ-SD 4.39Å; F229-L308 HydrophobicContact CD2-CD2 3.89Å; F229-I363 HydrophobicContact CD1-CG2 3.81Å; F229-I363 HydrophobicContact CE1-CG2 3.58Å; F229-I363 HydrophobicContact CZ-CG2 4.32Å; F229-M367 HydrophobicContact CB-CE 4.26Å; F229-M367 HydrophobicContact CB-CG 4.08Å; F229-M367 HydrophobicContact CB-SD 3.84Å; F229-M367 HydrophobicContact CD1-CB 4.19Å; F229-M367 HydrophobicContact CD1-CG 3.96Å; F229-M367 HydrophobicContact CG-CG 4.4Å; F229-V370 HydrophobicContact CD1-CB 3.99Å; F229-V370 HydrophobicContact CD1-CG2 4.21Å; F229-V370 HydrophobicContact CD2-CG2 4.2Å; F229-V370 HydrophobicContact CE1-CB 3.88Å; F229-V370 HydrophobicContact CE1-CG2 4.05Å; F229-V370 HydrophobicContact CE2-CG2 4.02Å; F229-V370 HydrophobicContact CG-CB 4.47Å; F229-V370 HydrophobicContact CG-CG2 4.28Å; F229-V370 HydrophobicContact CZ-CB 4.25Å; F229-V370 HydrophobicContact CZ-CG2 3.93Å |
| 230 | C | 91.7 | Very high | 76.6 | Confident | 9 Ų | 9 | 66 Ų | 66 | 6% | 0.061 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 126.4 | 176.3 | -60.1 | 0 | 0 | 0 | 0 | 109.1 | F249 Y269 M367 S368 G369 | C230-F249 HydrophobicContact CB-CB 4.41Å; C230-Y269 CarbonylContact C-O 3.45Å; C230-Y269 WeakPolarHBondContact CA-O 3.36Å; C230-M367 CarbonylContact O-C 3.39Å; C230-M367 WeakPolarHBondContact O-CA 3.3Å; C230-S368 PolarHBondContact O-N 2.97Å; C230-S368 PolarHBondContact O-OG 2.84Å; C230-G369 PolarHBondContact N-O 3.38Å; C230-G369 PolarHBondContact O-N 3.02Å |
| 231 | T | 90 | Very high | 73.6 | Confident | 2 Ų | 2 | 74.5 Ų | 74.5 | 1% | 0.012 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 160.2 | 176.2 | 50.8 | 0 | 0 | 0 | 0 | 111.8 | L265 Y266 N268 Y269 Y271 M367 S368 | T231-L265 HydrophobicContact CG2-CB 4.37Å; T231-L265 HydrophobicContact CG2-CD1 4.45Å; T231-Y266 VanDerWaalsContact CB-O 3.29Å; T231-Y266 WeakPolarHBondContact CB-O 3.26Å; T231-Y266 WeakPolarHBondContact CG2-O 3.15Å; T231-Y266 PolarHBondContact OG1-O 2.76Å; T231-N268 PolarHBondContact OG1-N 3.23Å; T231-N268 VanDerWaalsContact OG1-N 3.12Å; T231-Y269 PolarHBondContact N-O 2.86Å; T231-Y269 PolarHBondContact OG1-N 2.82Å; T231-Y269 PolarHBondContact OG1-O 2.81Å; T231-Y271 HydrophobicContact CG2-CD2 3.99Å; T231-Y271 HydrophobicContact CG2-CE2 3.67Å; T231-M367 HydrophobicContact CG2-CE 3.82Å; T231-M367 HydrophobicContact CG2-SD 3.43Å; T231-M367 WeakPolarHBondContact CG2-SD 3.41Å; T231-S368 PolarHBondContact O-OG 3.04Å |
| 232 | K | 86.2 | Confident | 70.9 | Confident | 67 Ų | 67 | 76.5 Ų | 76.5 | 29% | 0.291 | 41% | 0.408 | S | S | . | . | P | Polyproline II helix | trans | -70 | 157 | 172.6 | -66.9 | 174 | -176.4 | 177 | 0 | 111.4 | N268 Q365 H366 M367 | K232-N268 PolarHBondContact O-N 2.83Å; K232-Q365 VanDerWaalsContact CE-O 3.26Å; K232-Q365 WeakPolarHBondContact CE-O 3.5Å; K232-Q365 PolarHBondContact NZ-O 3.43Å; K232-H366 WeakPolarHBondContact CG-O 3.29Å; K232-H366 PolarHBondContact N-O 3.35Å; K232-M367 WeakPolarHBondContact CE-O 3.12Å |
| 233 | E | 77.7 | Confident | 68.2 | Low | 105 Ų | 105 | 80.1 Ų | 80.1 | 49% | 0.491 | 42% | 0.423 | S | S | . | . | P | Polyproline II helix | trans | -76.2 | 163.6 | 164.7 | -74.1 | 171.7 | 177.9 | 0 | 0 | 110 | S235 N268 | E233-S235 PolarHBondContact O-N 3.49Å; E233-N268 HydrophobicContact CG-CB 3.82Å; E233-N268 PolarHBondContact OE1-ND2 3.41Å |
| 234 | D | 69.1 | Low | 65.5 | Low | 64 Ų | 64 | 82 Ų | 82 | 34% | 0.342 | 44% | 0.437 | S | S | . | . | P | Polyproline II helix | trans | -71.5 | 126.7 | 175.7 | -145.5 | -22.9 | 0 | 0 | 0 | 110.5 | E236 Q237 L267 | D234-E236 PolarHBondContact O-N 2.79Å; D234-Q237 PolarHBondContact O-N 2.9Å; D234-L267 HydrophobicContact CB-CD1 3.75Å |
| 235 | S | 59.4 | Low | 63 | Low | 99 Ų | 99 | 80.7 Ų | 80.7 | 69% | 0.692 | 44% | 0.441 | S | S | * | . | G | 310 helix | trans | -64.7 | -25.5 | -178.5 | 10.3 | 0 | 0 | 0 | 0 | 113.1 | E233 Q237 Q238 | E233-S235 PolarHBondContact O-N 3.49Å; S235-Q237 PolarHBondContact O-N 2.93Å; S235-Q238 PolarHBondContact O-N 3.43Å |
| 236 | E | 49.3 | Very low | 60.6 | Low | 166 Ų | 166 | 84.8 Ų | 84.8 | 78% | 0.776 | 47% | 0.467 | S | S | * | . | G | 310 helix | trans | -70.2 | -12 | -176 | -65.8 | -172.2 | 170 | 0 | 0 | 114.1 | D234 | D234-E236 PolarHBondContact O-N 2.79Š|
| 237 | Q | 45.2 | Very low | 58.4 | Low | 179 Ų | 179 | 87.9 Ų | 87.9 | 84% | 0.836 | 48% | 0.482 | S | S | * | . | G | 310 helix | trans | -91.1 | 0.7 | 179.5 | -69.5 | -172.8 | -11.6 | 0 | 0 | 114.5 | D234 S235 D239 | D234-Q237 PolarHBondContact O-N 2.9Å; S235-Q237 PolarHBondContact O-N 2.93Å; Q237-D239 PolarHBondContact O-N 3.18Å |
| 238 | Q | 39.4 | Very low | 56.7 | Low | 119 Ų | 119 | 90.8 Ų | 90.8 | 56% | 0.556 | 50% | 0.496 | S | S | * | . | trans | -92.6 | 54.3 | 175.6 | -72 | -174 | -12.4 | 0 | 0 | 112.7 | S235 G240 | S235-Q238 PolarHBondContact O-N 3.43Å; Q238-G240 PolarHBondContact O-N 2.83Å | ||
| 239 | D | 33.7 | Very low | 55.4 | Low | 171 Ų | 171 | 91.7 Ų | 91.7 | 91% | 0.914 | 50% | 0.501 | S | S | * | . | trans | -87 | 58.1 | 163.6 | -90.8 | -17.9 | 0 | 0 | 0 | 110.3 | Q237 | Q237-D239 PolarHBondContact O-N 3.18Š| ||
| 240 | G | 37.8 | Very low | 54.4 | Low | 48 Ų | 48 | 92 Ų | 92 | 50% | 0.495 | 50% | 0.504 | S | S | . | . | S | Bend | trans | -168.3 | 131.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q238 S242 | Q238-G240 PolarHBondContact O-N 2.83Å; G240-S242 PolarHBondContact O-N 2.91Å |
| 241 | D | 32 | Very low | 53.8 | Low | 177 Ų | 177 | 93.1 Ų | 93.1 | 95% | 0.947 | 51% | 0.514 | S | S | * | . | trans | -62.1 | 38.3 | -175.5 | -64 | -41.5 | 0 | 0 | 0 | 115.4 | E243 | D241-E243 VanDerWaalsContact C-N 3.34Å; D241-E243 PolarHBondContact O-N 2.9Å | ||
| 242 | S | 34.4 | Very low | 53.2 | Low | 74 Ų | 74 | 95.1 Ų | 95.1 | 52% | 0.517 | 53% | 0.527 | S | S | . | . | trans | -88.2 | 71.4 | 171.7 | 68.9 | 0 | 0 | 0 | 0 | 110.5 | G240 T244 | G240-S242 PolarHBondContact O-N 2.91Å; S242-T244 PolarHBondContact O-N 3.38Å | ||
| 243 | E | 33.9 | Very low | 52.7 | Low | 198 Ų | 198 | 93 Ų | 93 | 93% | 0.925 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | 6.2 | 168.9 | -84.2 | -169.3 | 152.6 | 0 | 0 | 113.7 | D241 | D241-E243 VanDerWaalsContact C-N 3.34Å; D241-E243 PolarHBondContact O-N 2.9Å |
| 244 | T | 32 | Very low | 52.4 | Low | 120 Ų | 120 | 91 Ų | 91 | 74% | 0.736 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124.1 | 12.7 | -165.4 | 53.9 | 0 | 0 | 0 | 0 | 116.8 | S242 P246 | S242-T244 PolarHBondContact O-N 3.38Å; T244-P246 VanDerWaalsContact C-CD 3.46Å; T244-P246 WeakPolarHBondContact O-CD 3.16Å |
| 245 | S | 37.2 | Very low | 52.6 | Low | 88 Ų | 88 | 94.8 Ų | 94.8 | 62% | 0.615 | 53% | 0.526 | S | S | * | . | trans | -99.3 | 86 | 168.3 | -69.4 | 0 | 0 | 0 | 0 | 109.3 | H247 | S245-H247 PolarHBondContact O-N 3.38Š| ||
| 246 | P | 43.9 | Very low | 53.1 | Low | 91 Ų | 91 | 96 Ų | 96 | 59% | 0.591 | 53% | 0.525 | S | S | * | . | trans | -59.9 | 108 | -179.7 | 24.3 | -33.4 | 0 | 0 | 0 | 108.9 | T244 I248 | T244-P246 VanDerWaalsContact C-CD 3.46Å; T244-P246 WeakPolarHBondContact O-CD 3.16Å; P246-I248 WeakPolarHBondContact O-CG1 3.42Å; P246-I248 PolarHBondContact O-N 2.97Å | ||
| 247 | H | 49.1 | Very low | 54.4 | Low | 68 Ų | 68 | 89.7 Ų | 89.7 | 32% | 0.315 | 50% | 0.495 | S | S | . | . | trans | -29.4 | 106.9 | -178.1 | -64.2 | -97.8 | 0 | 0 | 0 | 112.8 | Q200 S245 F249 | Q200-H247 PolarHBondContact NE2-CD2 3.11Å; Q200-H247 VanDerWaalsContact NE2-CG 3.35Å; S245-H247 PolarHBondContact O-N 3.38Å; H247-F249 HydrophobicContact CB-CE1 4.09Å; H247-F249 HydrophobicContact CB-CZ 4.41Å; H247-F249 WeakPolarHBondContact O-CZ 3.28Å; H247-F249 PolarHBondContact O-N 3.32Å | ||
| 248 | I | 59.6 | Low | 56.1 | Low | 61 Ų | 61 | 85.3 Ų | 85.3 | 31% | 0.313 | 48% | 0.481 | S | S | . | . | trans | -98.7 | 91.9 | -167.8 | -49.2 | 165.2 | 0 | 0 | 0 | 108.5 | P246 G250 A251 Y488 | P246-I248 WeakPolarHBondContact O-CG1 3.42Å; P246-I248 PolarHBondContact O-N 2.97Å; I248-G250 PolarHBondContact O-N 3.47Å; I248-A251 HydrophobicContact CB-CB 4.33Å; I248-A251 HydrophobicContact CG2-CB 4.4Å; I248-A251 WeakPolarHBondContact O-CB 3.24Å; I248-A251 PolarHBondContact O-N 3.18Å; I248-Y488 HydrophobicContact CD1-CE1 4.29Å; I248-Y488 WeakPolarHBondContact CD1-OH 3.24Å; I248-Y488 WeakPolarHBondContact CG1-OH 3.46Å; I248-Y488 HydrophobicContact CG2-CE1 4.01Å; I248-Y488 HydrophobicContact CG2-CE2 3.65Å; I248-Y488 WeakPolarHBondContact CG2-OH 3.32Å | ||
| 249 | F | 68.2 | Low | 58.3 | Low | 20 Ų | 20 | 82.2 Ų | 82.2 | 9% | 0.088 | 47% | 0.468 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | 139.2 | 178 | -39.6 | -58.4 | 0 | 0 | 0 | 111 | R181 S198 C230 H247 A251 S368 G369 | R181-F249 PolarHBondContact NH2-O 3.48Å; S198-F249 VanDerWaalsContact CA-CE2 3.42Å; C230-F249 HydrophobicContact CB-CB 4.41Å; H247-F249 HydrophobicContact CB-CE1 4.09Å; H247-F249 HydrophobicContact CB-CZ 4.41Å; H247-F249 WeakPolarHBondContact O-CZ 3.28Å; H247-F249 PolarHBondContact O-N 3.32Å; F249-A251 PolarHBondContact O-N 2.98Å; F249-S368 WeakPolarHBondContact CD1-OG 3.12Å; F249-S368 VanDerWaalsContact CE1-CB 3.42Å; F249-S368 WeakPolarHBondContact CE1-O 3.27Å; F249-S368 WeakPolarHBondContact CE1-OG 3.48Å; F249-S368 WeakPolarHBondContact CZ-O 3.47Å; F249-G369 VanDerWaalsContact CE1-N 3.31Å |
| 250 | G | 72.4 | Confident | 60.8 | Low | 7 Ų | 7 | 75.7 Ų | 75.7 | 7% | 0.072 | 43% | 0.433 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 70.6 | 13.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | N82 R181 L182 I248 | N82-G250 PolarHBondContact ND2-O 2.92Å; R181-G250 CarbonylContact C-O 3.53Å; R181-G250 WeakPolarHBondContact CA-O 3.47Å; L182-G250 PolarHBondContact N-O 2.89Å; I248-G250 PolarHBondContact O-N 3.47Å |
| 251 | A | 79.5 | Confident | 63 | Low | 32 Ų | 32 | 82.3 Ų | 82.3 | 26% | 0.264 | 45% | 0.448 | S | S | . | . | trans | -63.4 | 151.5 | 166.2 | 0 | 0 | 0 | 0 | 0 | 111 | N82 R181 I248 F249 N253 | N82-A251 VanDerWaalsContact ND2-C 3.34Å; N82-A251 PolarHBondContact ND2-O 3.21Å; R181-A251 VanDerWaalsContact NH1-CA 3.29Å; I248-A251 HydrophobicContact CB-CB 4.33Å; I248-A251 HydrophobicContact CG2-CB 4.4Å; I248-A251 WeakPolarHBondContact O-CB 3.24Å; I248-A251 PolarHBondContact O-N 3.18Å; F249-A251 PolarHBondContact O-N 2.98Å; A251-N253 PolarHBondContact O-N 3.09Å | ||
| 252 | P | 77.4 | Confident | 65.6 | Low | 44 Ų | 44 | 82.3 Ų | 82.3 | 29% | 0.286 | 44% | 0.442 | S | S | . | . | trans | -63.8 | 130.7 | 172.2 | -13 | 26.8 | 0 | 0 | 0 | 109.9 | E178 Y179 | E178-P252 WeakPolarHBondContact O-CB 3.46Å; Y179-P252 VanDerWaalsContact O-CG 3.23Å; Y179-P252 WeakPolarHBondContact O-CG 3.31Å | ||
| 253 | N | 75.8 | Confident | 68.1 | Low | 23 Ų | 23 | 79 Ų | 79 | 12% | 0.123 | 42% | 0.419 | C | S | . | . | trans | -117.5 | 119.1 | 171.7 | -177.2 | -0 | 0 | 0 | 0 | 108.6 | A251 H255 N268 | A251-N253 PolarHBondContact O-N 3.09Å; N253-H255 WeakPolarHBondContact OD1-CB 2.87Å; N253-H255 PolarHBondContact OD1-CD2 3.1Å; N253-H255 PolarHBondContact OD1-N 3.23Å; N253-N268 PolarHBondContact ND2-ND2 2.87Å | ||
| 254 | L | 71.3 | Confident | 70.7 | Confident | 63 Ų | 63 | 69.6 Ų | 69.6 | 33% | 0.33 | 38% | 0.375 | S | S | . | . | trans | -96 | -2.2 | -177.7 | -55.7 | -177.8 | 0 | 0 | 0 | 112.9 | K79 E178 Y179 | K79-L254 HydrophobicContact CB-CB 4.47Å; K79-L254 HydrophobicContact CB-CD2 4.11Å; K79-L254 VanDerWaalsContact CD-O 3.27Å; K79-L254 WeakPolarHBondContact CD-O 3.44Å; E178-L254 HydrophobicContact CB-CD2 3.93Å; E178-L254 HydrophobicContact CG-CD2 4.43Å; E178-L254 WeakPolarHBondContact O-CD2 3.27Å; E178-L254 WeakPolarHBondContact OE2-CD2 3.1Å; Y179-L254 HydrophobicContact CE1-CD1 4.45Å | ||
| 255 | H | 72.5 | Confident | 73.4 | Confident | 142 Ų | 142 | 64 Ų | 64 | 66% | 0.657 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -84.2 | 155.1 | 177.3 | -58.8 | -69.8 | 0 | 0 | 0 | 111 | N253 | N253-H255 WeakPolarHBondContact OD1-CB 2.87Å; N253-H255 PolarHBondContact OD1-CD2 3.1Å; N253-H255 PolarHBondContact OD1-N 3.23Å |
| 256 | D | 71 | Confident | 75.8 | Confident | 124 Ų | 124 | 60.7 Ų | 60.7 | 66% | 0.663 | 32% | 0.315 | S | S | * | . | P | Polyproline II helix | trans | -67.2 | 145 | 172.2 | -65.9 | -34.5 | 0 | 0 | 0 | 110.2 | R75 V258 | R75-D256 IonicContact NH2-OD1 3.24Å; D256-V258 PolarHBondContact O-N 3.35Å |
| 257 | H | 75.6 | Confident | 77.8 | Confident | 34 Ų | 34 | 57.7 Ų | 57.7 | 16% | 0.157 | 29% | 0.294 | C | S | . | . | P | Polyproline II helix | trans | -71 | 123.7 | -176.5 | -56.8 | -55.3 | 0 | 0 | 0 | 110.4 | R75 F81 Y266 Y269 | R75-H257 PolarHBondContact NH1-NE2 3.29Å; R75-H257 VanDerWaalsContact NH1-NE2 3.17Å; F81-H257 AromaticContact CD2-NE2 3.64Å; F81-H257 AromaticContact CG-CE1 3.85Å; F81-H257 AromaticContact CG-NE2 3.71Å; H257-Y266 HydrophobicContact CB-CD1 3.65Å; H257-Y266 HydrophobicContact CB-CE1 4.13Å; H257-Y266 HydrophobicContact CB-CG 4.17Å; H257-Y269 HydrophobicContact CB-CD2 4.48Å; H257-Y269 AromaticContact CD2-CD2 3.94Å; H257-Y269 AromaticContact CD2-CE2 3.83Å; H257-Y269 AromaticContact CE1-CD2 3.68Å; H257-Y269 AromaticContact CG-CD2 3.75Å; H257-Y269 AromaticContact ND1-CD2 3.58Å; H257-Y269 AromaticContact NE2-CD2 3.92Å; H257-Y269 AromaticContact NE2-CE2 3.82Å |
| 258 | V | 81.3 | Confident | 79.3 | Confident | 88 Ų | 88 | 56.8 Ų | 56.8 | 53% | 0.533 | 29% | 0.291 | S | S | . | . | P | Polyproline II helix | trans | -91.5 | 126.4 | 176 | -179.9 | 0 | 0 | 0 | 0 | 108.8 | D256 Y266 L267 | D256-V258 PolarHBondContact O-N 3.35Å; V258-Y266 WeakPolarHBondContact O-CA 3.08Å; V258-L267 HydrophobicContact CB-CD1 4.29Å; V258-L267 HydrophobicContact CG1-CD1 4.16Å; V258-L267 PolarHBondContact O-N 3.24Å |
| 259 | L | 85.9 | Confident | 80.5 | Confident | 54 Ų | 54 | 54.1 Ų | 54.1 | 28% | 0.283 | 28% | 0.277 | S | S | . | . | B | Isolated β-bridge | trans | -81.9 | 120.1 | 175.2 | -171.2 | 74 | 0 | 0 | 0 | 109.7 | K261 G264 Y266 | L259-K261 PolarHBondContact O-N 2.81Å; L259-G264 WeakPolarHBondContact CD1-O 3.45Å; L259-Y266 HydrophobicContact CB-CD1 4.18Å; L259-Y266 HydrophobicContact CB-CE1 4.05Å; L259-Y266 HydrophobicContact CD1-CD1 3.96Å; L259-Y266 HydrophobicContact CD1-CE1 3.88Å; L259-Y266 HydrophobicContact CD1-CE2 4.45Å; L259-Y266 HydrophobicContact CD1-CG 4.29Å |
| 260 | N | 86.7 | Confident | 81.5 | Confident | 34 Ų | 34 | 53.3 Ų | 53.3 | 18% | 0.182 | 28% | 0.275 | C | S | . | . | trans | -71.7 | 115.7 | 168.6 | -179.7 | -74.8 | 0 | 0 | 0 | 108.7 | E262 S263 G264 L265 L267 | N260-E262 VanDerWaalsContact C-N 3.29Å; N260-E262 PolarHBondContact O-N 3.19Å; N260-E262 PolarHBondContact OD1-N 3Å; N260-S263 WeakPolarHBondContact CB-OG 2.96Å; N260-S263 PolarHBondContact OD1-N 3.39Å; N260-S263 PolarHBondContact OD1-OG 2.77Å; N260-G264 VanDerWaalsContact O-CA 3.23Å; N260-G264 WeakPolarHBondContact O-CA 3.45Å; N260-G264 PolarHBondContact O-N 3.18Å; N260-L265 WeakPolarHBondContact CB-O 3.11Å; N260-L265 PolarHBondContact N-O 2.84Å; N260-L267 HydrophobicContact CB-CD2 3.88Å; N260-L267 HydrophobicContact CB-CG 4.16Å | ||
| 261 | K | 84.1 | Confident | 82.5 | Confident | 187 Ų | 187 | 53 Ų | 53 | 81% | 0.813 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -29.8 | -172.7 | -69 | -179.1 | -179.1 | 173.4 | 0 | 113.4 | L259 | L259-K261 PolarHBondContact O-N 2.81Š|
| 262 | E | 85.7 | Confident | 83.1 | Confident | 177 Ų | 177 | 51.8 Ų | 51.8 | 83% | 0.827 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -53.2 | -177 | -59.7 | -175.7 | 162 | 0 | 0 | 111.4 | N260 | N260-E262 VanDerWaalsContact C-N 3.29Å; N260-E262 PolarHBondContact O-N 3.19Å; N260-E262 PolarHBondContact OD1-N 3Å |
| 263 | S | 87.5 | Confident | 83.9 | Confident | 5 Ų | 5 | 49.9 Ų | 49.9 | 4% | 0.035 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -28.1 | 179.7 | 60 | 0 | 0 | 0 | 0 | 112.9 | N260 L265 W324 K325 | N260-S263 WeakPolarHBondContact CB-OG 2.96Å; N260-S263 PolarHBondContact OD1-N 3.39Å; N260-S263 PolarHBondContact OD1-OG 2.77Å; S263-L265 PolarHBondContact OG-N 2.89Å; S263-W324 WeakPolarHBondContact O-CA 3.15Å; S263-K325 PolarHBondContact O-N 2.66Å |
| 264 | G | 87.6 | Confident | 84.6 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 25% | 0.25 | C | S | . | . | trans | 78.9 | 0.8 | -168.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | L259 N260 G322 E323 | L259-G264 WeakPolarHBondContact CD1-O 3.45Å; N260-G264 VanDerWaalsContact O-CA 3.23Å; N260-G264 WeakPolarHBondContact O-CA 3.45Å; N260-G264 PolarHBondContact O-N 3.18Å; G264-G322 CarbonylContact O-C 3.55Å; G264-G322 WeakPolarHBondContact O-CA 3.45Å; G264-E323 CarbonylContact C-O 3.49Å; G264-E323 VanDerWaalsContact C-O 3.31Å; G264-E323 WeakPolarHBondContact CA-O 3.47Å; G264-E323 PolarHBondContact O-N 2.8Å | ||
| 265 | L | 89.1 | Confident | 85.6 | Confident | 2 Ų | 2 | 51.2 Ų | 51.2 | 1% | 0.01 | 25% | 0.25 | C | S | . | . | P | Polyproline II helix | trans | -88.4 | 149.7 | 179.4 | -57.3 | 177.8 | 0 | 0 | 0 | 111.5 | T231 N260 S263 Y271 W324 F356 I358 H366 M367 | T231-L265 HydrophobicContact CG2-CB 4.37Å; T231-L265 HydrophobicContact CG2-CD1 4.45Å; N260-L265 WeakPolarHBondContact CB-O 3.11Å; N260-L265 PolarHBondContact N-O 2.84Å; S263-L265 PolarHBondContact OG-N 2.89Å; L265-Y271 WeakPolarHBondContact CA-OH 3.46Å; L265-Y271 HydrophobicContact CB-CE2 4.46Å; L265-Y271 HydrophobicContact CD2-CE1 4.37Å; L265-Y271 HydrophobicContact CD2-CE2 4.4Å; L265-W324 HydrophobicContact CD1-CE3 4.37Å; L265-W324 HydrophobicContact CD2-CB 4.42Å; L265-W324 HydrophobicContact CG-CE3 4.46Å; L265-F356 HydrophobicContact CD2-CE2 3.82Å; L265-F356 HydrophobicContact CD2-CZ 3.58Å; L265-I358 HydrophobicContact CD1-CD1 4.17Å; L265-H366 HydrophobicContact CD1-CB 4.29Å; L265-M367 HydrophobicContact CD1-CE 4.1Å |
| 266 | Y | 87.6 | Confident | 86.6 | Confident | 19 Ų | 19 | 45.1 Ų | 45.1 | 8% | 0.075 | 22% | 0.223 | C | C | . | . | B | Isolated β-bridge | trans | -73.3 | 140.6 | 169.3 | -73.2 | -67.7 | 0 | 0 | 0 | 110.7 | T231 H257 V258 L259 Y269 Y271 V314 Q321 | T231-Y266 VanDerWaalsContact CB-O 3.29Å; T231-Y266 WeakPolarHBondContact CB-O 3.26Å; T231-Y266 WeakPolarHBondContact CG2-O 3.15Å; T231-Y266 PolarHBondContact OG1-O 2.76Å; H257-Y266 HydrophobicContact CB-CD1 3.65Å; H257-Y266 HydrophobicContact CB-CE1 4.13Å; H257-Y266 HydrophobicContact CB-CG 4.17Å; V258-Y266 WeakPolarHBondContact O-CA 3.08Å; L259-Y266 HydrophobicContact CB-CD1 4.18Å; L259-Y266 HydrophobicContact CB-CE1 4.05Å; L259-Y266 HydrophobicContact CD1-CD1 3.96Å; L259-Y266 HydrophobicContact CD1-CE1 3.88Å; L259-Y266 HydrophobicContact CD1-CE2 4.45Å; L259-Y266 HydrophobicContact CD1-CG 4.29Å; Y266-Y269 HydrophobicContact CD2-CD1 4.37Å; Y266-Y269 HydrophobicContact CD2-CE1 4.29Å; Y266-Y269 HydrophobicContact CD2-CG 4.49Å; Y266-Y269 HydrophobicContact CG-CD2 4.49Å; Y266-Y269 HydrophobicContact CG-CG 4.37Å; Y266-Y271 PolarHBondContact N-OH 3.16Å; Y266-V314 WeakPolarHBondContact OH-CG2 3.35Å; Y266-Q321 WeakPolarHBondContact OH-CB 3.45Å; Y266-Q321 PolarHBondContact OH-OE1 2.85Å |
| 267 | L | 85 | Confident | 87.7 | Confident | 27 Ų | 27 | 39.8 Ų | 39.8 | 14% | 0.141 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | 147.5 | 174.5 | -61 | 179.3 | 0 | 0 | 0 | 111 | D234 V258 N260 Y269 | D234-L267 HydrophobicContact CB-CD1 3.75Å; V258-L267 HydrophobicContact CB-CD1 4.29Å; V258-L267 HydrophobicContact CG1-CD1 4.16Å; V258-L267 PolarHBondContact O-N 3.24Å; N260-L267 HydrophobicContact CB-CD2 3.88Å; N260-L267 HydrophobicContact CB-CG 4.16Å; L267-Y269 VanDerWaalsContact C-N 3.27Å; L267-Y269 PolarHBondContact O-N 2.76Å |
| 268 | N | 80.9 | Confident | 88.4 | Confident | 50 Ų | 50 | 40.1 Ų | 40.1 | 27% | 0.267 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 45.3 | 51 | -176.7 | -161.1 | 7.6 | 0 | 0 | 0 | 113.1 | T231 K232 E233 N253 | T231-N268 PolarHBondContact OG1-N 3.23Å; T231-N268 VanDerWaalsContact OG1-N 3.12Å; K232-N268 PolarHBondContact O-N 2.83Å; E233-N268 HydrophobicContact CG-CB 3.82Å; E233-N268 PolarHBondContact OE1-ND2 3.41Å; N253-N268 PolarHBondContact ND2-ND2 2.87Å |
| 269 | Y | 85.8 | Confident | 88.7 | Confident | 4 Ų | 4 | 36 Ų | 36 | 2% | 0.016 | 18% | 0.178 | C | C | . | . | trans | -135.7 | 150.6 | -168.4 | -169 | -95.1 | 0 | 0 | 0 | 111.6 | F81 C230 T231 H257 Y266 L267 Y271 L312 | F81-Y269 AromaticContact CD1-CD2 3.9Å; F81-Y269 HydrophobicContact CD1-CD2 3.9Å; F81-Y269 AromaticContact CD1-CE2 3.73Å; F81-Y269 HydrophobicContact CD1-CE2 3.73Å; F81-Y269 AromaticContact CD2-CE2 3.73Å; F81-Y269 HydrophobicContact CD2-CE2 3.73Å; F81-Y269 HydrophobicContact CE1-CD1 4.37Å; F81-Y269 AromaticContact CE1-CD2 3.8Å; F81-Y269 HydrophobicContact CE1-CD2 3.8Å; F81-Y269 HydrophobicContact CE1-CE1 4.01Å; F81-Y269 AromaticContact CE1-CE2 3.35Å; F81-Y269 HydrophobicContact CE1-CE2 3.35Å; F81-Y269 HydrophobicContact CE1-CG 4.3Å; F81-Y269 AromaticContact CE1-CZ 3.49Å; F81-Y269 VanDerWaalsContact CE1-CZ 3.49Å; F81-Y269 HydrophobicContact CE2-CD2 4.45Å; F81-Y269 AromaticContact CE2-CE2 3.38Å; F81-Y269 HydrophobicContact CE2-CE2 3.38Å; F81-Y269 AromaticContact CE2-CZ 3.58Å; F81-Y269 VanDerWaalsContact CE2-OH 3.3Å; F81-Y269 WeakPolarHBondContact CE2-OH 3.35Å; F81-Y269 HydrophobicContact CG-CD2 4.27Å; F81-Y269 AromaticContact CG-CE2 3.91Å; F81-Y269 HydrophobicContact CG-CE2 3.91Å; F81-Y269 HydrophobicContact CZ-CD2 4.12Å; F81-Y269 AromaticContact CZ-CE1 3.9Å; F81-Y269 HydrophobicContact CZ-CE1 3.9Å; F81-Y269 AromaticContact CZ-CE2 3.2Å; F81-Y269 HydrophobicContact CZ-CE2 3.2Å; F81-Y269 AromaticContact CZ-CZ 3.07Å; F81-Y269 WeakPolarHBondContact CZ-OH 3.37Å; C230-Y269 CarbonylContact C-O 3.45Å; C230-Y269 WeakPolarHBondContact CA-O 3.36Å; T231-Y269 PolarHBondContact N-O 2.86Å; T231-Y269 PolarHBondContact OG1-N 2.82Å; T231-Y269 PolarHBondContact OG1-O 2.81Å; H257-Y269 HydrophobicContact CB-CD2 4.48Å; H257-Y269 AromaticContact CD2-CD2 3.94Å; H257-Y269 AromaticContact CD2-CE2 3.83Å; H257-Y269 AromaticContact CE1-CD2 3.68Å; H257-Y269 AromaticContact CG-CD2 3.75Å; H257-Y269 AromaticContact ND1-CD2 3.58Å; H257-Y269 AromaticContact NE2-CD2 3.92Å; H257-Y269 AromaticContact NE2-CE2 3.82Å; Y266-Y269 HydrophobicContact CD2-CD1 4.37Å; Y266-Y269 HydrophobicContact CD2-CE1 4.29Å; Y266-Y269 HydrophobicContact CD2-CG 4.49Å; Y266-Y269 HydrophobicContact CG-CD2 4.49Å; Y266-Y269 HydrophobicContact CG-CG 4.37Å; L267-Y269 VanDerWaalsContact C-N 3.27Å; L267-Y269 PolarHBondContact O-N 2.76Å; Y269-Y271 AromaticContact CD1-CD2 3.96Å; Y269-Y271 HydrophobicContact CD1-CD2 3.96Å; Y269-Y271 HydrophobicContact CD1-CE1 4.2Å; Y269-Y271 AromaticContact CD1-CE2 3.51Å; Y269-Y271 HydrophobicContact CD1-CE2 3.51Å; Y269-Y271 HydrophobicContact CD1-CG 4.49Å; Y269-Y271 AromaticContact CD1-CZ 3.65Å; Y269-Y271 HydrophobicContact CE1-CE1 4.17Å; Y269-Y271 HydrophobicContact CE1-CE2 4.28Å; Y269-Y271 HydrophobicContact CG-CE2 4.42Å; Y269-L312 HydrophobicContact CE2-CD1 3.62Å; Y269-L312 WeakPolarHBondContact OH-CB 3.39Å; Y269-L312 WeakPolarHBondContact OH-CD1 3.19Å; Y269-L312 WeakPolarHBondContact OH-CG 3.09Å; Y269-L312 PolarHBondContact OH-N 2.84Å | ||
| 270 | G | 89.3 | Confident | 88.7 | Confident | 3 Ų | 3 | 33.8 Ų | 33.8 | 3% | 0.031 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 133.4 | -176 | 0 | 0 | 0 | 0 | 0 | 113.8 | F229 P311 | F229-G270 CarbonylContact O-C 3.5Å; F229-G270 VanDerWaalsContact O-CA 3.3Å; F229-G270 WeakPolarHBondContact O-CA 3.43Å; G270-P311 WeakPolarHBondContact O-CD 3.45Å |
| 271 | Y | 92 | Very high | 88.6 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 130.7 | 176.8 | -68.8 | -88.2 | 0 | 0 | 0 | 110.9 | I228 F229 T231 L265 Y266 Y269 L308 C310 G322 F356 M367 | I228-Y271 CarbonylContact C-O 3.57Å; I228-Y271 WeakPolarHBondContact CA-O 3.47Å; F229-Y271 PolarHBondContact N-O 2.75Å; F229-Y271 PolarHBondContact O-N 3.02Å; T231-Y271 HydrophobicContact CG2-CD2 3.99Å; T231-Y271 HydrophobicContact CG2-CE2 3.67Å; L265-Y271 WeakPolarHBondContact CA-OH 3.46Å; L265-Y271 HydrophobicContact CB-CE2 4.46Å; L265-Y271 HydrophobicContact CD2-CE1 4.37Å; L265-Y271 HydrophobicContact CD2-CE2 4.4Å; Y266-Y271 PolarHBondContact N-OH 3.16Å; Y269-Y271 AromaticContact CD1-CD2 3.96Å; Y269-Y271 HydrophobicContact CD1-CD2 3.96Å; Y269-Y271 HydrophobicContact CD1-CE1 4.2Å; Y269-Y271 AromaticContact CD1-CE2 3.51Å; Y269-Y271 HydrophobicContact CD1-CE2 3.51Å; Y269-Y271 HydrophobicContact CD1-CG 4.49Å; Y269-Y271 AromaticContact CD1-CZ 3.65Å; Y269-Y271 HydrophobicContact CE1-CE1 4.17Å; Y269-Y271 HydrophobicContact CE1-CE2 4.28Å; Y269-Y271 HydrophobicContact CG-CE2 4.42Å; Y271-L308 HydrophobicContact CG-CD1 4.31Å; Y271-C310 HydrophobicContact CD1-CB 4.32Å; Y271-C310 HydrophobicContact CE1-CB 4Å; Y271-G322 WeakPolarHBondContact CE1-O 3.43Å; Y271-G322 PolarHBondContact OH-O 2.87Å; Y271-F356 HydrophobicContact CD1-CE1 4.01Å; Y271-F356 AromaticContact CD1-CZ 3.81Å; Y271-F356 HydrophobicContact CD1-CZ 3.81Å; Y271-F356 AromaticContact CE1-CE1 3.87Å; Y271-F356 HydrophobicContact CE1-CE1 3.87Å; Y271-F356 AromaticContact CE1-CZ 3.75Å; Y271-F356 HydrophobicContact CE1-CZ 3.75Å; Y271-M367 HydrophobicContact CD2-CE 4.22Å |
| 272 | L | 92.5 | Very high | 88.6 | Confident | 7 Ų | 7 | 33.1 Ų | 33.1 | 4% | 0.037 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 126.8 | 178.5 | -179.2 | 71.8 | 0 | 0 | 0 | 109.6 | Y92 I226 I228 T274 L308 R309 | Y92-L272 HydrophobicContact CD1-CD2 4.1Å; Y92-L272 HydrophobicContact CD2-CD2 3.45Å; Y92-L272 VanDerWaalsContact CD2-CD2 3.45Å; Y92-L272 HydrophobicContact CE1-CD2 4.27Å; Y92-L272 HydrophobicContact CE2-CD2 3.66Å; Y92-L272 HydrophobicContact CG-CD2 3.69Å; I226-L272 HydrophobicContact CG2-CD1 3.74Å; I228-L272 HydrophobicContact CG1-CD1 4.04Å; L272-T274 HydrophobicContact CD2-CG2 4.07Å; L272-T274 HydrophobicContact CG-CG2 4.17Å; L272-T274 PolarHBondContact O-N 3.31Å; L272-L308 CarbonylContact O-C 3.46Å; L272-L308 WeakPolarHBondContact O-CA 3.43Å; L272-R309 HydrophobicContact CB-CB 4.32Å; L272-R309 PolarHBondContact N-O 2.88Å; L272-R309 VanDerWaalsContact N-O 3.08Å; L272-R309 PolarHBondContact O-N 2.86Å |
| 273 | L | 94.5 | Very high | 88.5 | Confident | 4 Ų | 4 | 26.2 Ų | 26.2 | 2% | 0.021 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 120.6 | 168.5 | 179.5 | 71 | 0 | 0 | 0 | 108.9 | M217 L221 V227 F229 R275 V276 M306 L308 | M217-L273 HydrophobicContact CB-CD2 4.04Å; L221-L273 HydrophobicContact CD1-CD2 3.81Å; L221-L273 HydrophobicContact CD1-CG 4Å; L221-L273 HydrophobicContact CD2-CD2 4.13Å; L221-L273 HydrophobicContact CD2-CG 4.23Å; L221-L273 HydrophobicContact CG-CD2 3.97Å; L221-L273 HydrophobicContact CG-CG 4.43Å; V227-L273 HydrophobicContact CB-CB 3.97Å; V227-L273 HydrophobicContact CB-CD2 4.14Å; V227-L273 HydrophobicContact CG1-CB 3.91Å; V227-L273 HydrophobicContact CG1-CD2 3.79Å; V227-L273 HydrophobicContact CG1-CG 4.49Å; V227-L273 PolarHBondContact O-N 3.2Å; F229-L273 HydrophobicContact CD2-CB 4.13Å; F229-L273 HydrophobicContact CE2-CB 3.95Å; F229-L273 HydrophobicContact CE2-CD1 4.34Å; F229-L273 HydrophobicContact CE2-CD2 4.05Å; F229-L273 HydrophobicContact CE2-CG 4.32Å; L273-R275 WeakPolarHBondContact CD1-O 3.31Å; L273-V276 HydrophobicContact CD1-CG1 4.05Å; L273-V276 HydrophobicContact CD2-CG1 4.03Å; L273-V276 HydrophobicContact CG-CG1 4.49Å; L273-M306 HydrophobicContact CD1-CB 3.87Å; L273-M306 HydrophobicContact CD1-CE 3.6Å; L273-M306 HydrophobicContact CD2-CE 3.8Å; L273-M306 HydrophobicContact CG-CE 4.33Å; L273-L308 HydrophobicContact CB-CD2 4.12Å; L273-L308 HydrophobicContact CD1-CD2 3.88Å |
| 274 | T | 91.1 | Very high | 88.2 | Confident | 29 Ų | 29 | 28.4 Ų | 28.4 | 18% | 0.178 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | -22.8 | 179.2 | 67.8 | 0 | 0 | 0 | 0 | 112.8 | Y92 L272 R307 R309 E355 | Y92-T274 HydrophobicContact CE1-CG2 3.84Å; L272-T274 HydrophobicContact CD2-CG2 4.07Å; L272-T274 HydrophobicContact CG-CG2 4.17Å; L272-T274 PolarHBondContact O-N 3.31Å; T274-R307 PolarHBondContact N-O 3.01Å; T274-R307 PolarHBondContact OG1-NE 2.79Å; T274-R309 HydrophobicContact CG2-CB 3.85Å; T274-E355 WeakPolarHBondContact CB-OE1 3.23Å; T274-E355 WeakPolarHBondContact CG2-OE1 3.17Å; T274-E355 PolarHBondContact OG1-OE1 3.33Å |
| 275 | R | 91.9 | Very high | 87.8 | Confident | 86 Ų | 86 | 33.6 Ų | 33.6 | 33% | 0.325 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.2 | 158.3 | 179.2 | -164.3 | 169.3 | 175 | 169.5 | 2.4 | 112.5 | L273 R307 L346 G347 W357 | L273-R275 WeakPolarHBondContact CD1-O 3.31Å; R275-R307 HydrophobicContact CB-CB 3.87Å; R275-R307 PolarHBondContact N-O 2.84Å; R275-R307 PolarHBondContact O-N 2.85Å; R275-L346 PolarHBondContact NH2-O 2.81Å; R275-G347 VanDerWaalsContact CZ-O 3.24Å; R275-G347 PolarHBondContact NH1-O 2.88Å; R275-W357 HydrophobicContact CB-CH2 4.04Å; R275-W357 HydrophobicContact CG-CH2 3.91Å |
| 276 | V | 93.7 | Very high | 87.5 | Confident | 13 Ų | 13 | 40.3 Ų | 40.3 | 8% | 0.079 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 152.7 | 165.4 | -62 | 0 | 0 | 0 | 0 | 110.4 | F214 M217 E218 L221 L273 L305 M306 | F214-V276 HydrophobicContact CE1-CB 4.43Å; F214-V276 HydrophobicContact CE2-CB 3.97Å; F214-V276 HydrophobicContact CE2-CG1 4.28Å; F214-V276 HydrophobicContact CZ-CB 3.77Å; F214-V276 HydrophobicContact CZ-CG2 4.4Å; M217-V276 HydrophobicContact CB-CG1 4.45Å; E218-V276 HydrophobicContact CB-CG2 3.54Å; E218-V276 HydrophobicContact CG-CG2 3.63Å; L221-V276 HydrophobicContact CD1-CG1 4.16Å; L221-V276 HydrophobicContact CD1-CG2 4.41Å; L273-V276 HydrophobicContact CD1-CG1 4.05Å; L273-V276 HydrophobicContact CD2-CG1 4.03Å; L273-V276 HydrophobicContact CG-CG1 4.49Å; V276-L305 CarbonylContact C-O 3.51Å; V276-L305 WeakPolarHBondContact CA-O 3.49Å; V276-M306 HydrophobicContact CG1-CE 4.07Å; V276-M306 HydrophobicContact CG1-CG 4.2Å |
| 277 | C | 92.9 | Very high | 87.2 | Confident | 12 Ų | 12 | 39.4 Ų | 39.4 | 8% | 0.081 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 125.7 | 179.2 | -173.6 | 0 | 0 | 0 | 0 | 111.2 | L305 L348 W357 | C277-L305 PolarHBondContact N-O 3.4Å; C277-L305 PolarHBondContact O-N 3.32Å; C277-L348 HydrophobicContact CB-CD2 3.89Å; C277-W357 HydrophobicContact CB-CH2 3.83Å; C277-W357 HydrophobicContact CB-CZ3 3.67Å |
| 278 | A | 90.7 | Very high | 86.8 | Confident | 42 Ų | 42 | 39.4 Ų | 39.4 | 35% | 0.347 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 113.7 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | F214 I301 | F214-A278 HydrophobicContact CE1-CB 4.44Å; A278-I301 HydrophobicContact CB-CD1 4.1Å; A278-I301 HydrophobicContact CB-CG1 4.32Å; A278-I301 HydrophobicContact CB-CG2 4.43Å |
| 279 | V | 88.5 | Confident | 86.8 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 120.2 | 179 | -175.5 | 0 | 0 | 0 | 0 | 108.8 | I283 Q302 A303 L305 I338 L346 L348 | V279-I283 HydrophobicContact CG1-CD1 4.2Å; V279-Q302 PolarHBondContact O-N 3.18Å; V279-A303 PolarHBondContact N-O 2.85Å; V279-A303 PolarHBondContact O-N 2.97Å; V279-L305 HydrophobicContact CG2-CD1 3.64Å; V279-L305 HydrophobicContact CG2-CG 4.04Å; V279-I338 HydrophobicContact CG1-CD1 4.24Å; V279-L346 HydrophobicContact CG1-CD1 4.24Å; V279-L348 HydrophobicContact CG2-CD1 4.13Å |
| 280 | P | 86 | Confident | 86.6 | Confident | 9 Ų | 9 | 47.3 Ų | 47.3 | 6% | 0.058 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 154.4 | 177.9 | 30.4 | -35.1 | 0 | 0 | 0 | 111.2 | D282 L346 | P280-D282 VanDerWaalsContact C-N 3.32Å; P280-D282 PolarHBondContact O-N 2.93Å; P280-L346 HydrophobicContact CG-CD2 4.49Å |
| 281 | K | 85 | Confident | 86.1 | Confident | 142 Ų | 142 | 48.5 Ų | 48.5 | 62% | 0.617 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -65.1 | -32.9 | 174.5 | -71.7 | -169.3 | -178.8 | -175.3 | 0 | 113.6 | P300 I301 Q302 | K281-P300 HydrophobicContact CB-CB 4.22Å; K281-P300 HydrophobicContact CD-CB 3.79Å; K281-P300 HydrophobicContact CG-CB 4.02Å; K281-P300 WeakPolarHBondContact CG-O 3.38Å; K281-P300 PolarHBondContact N-O 3.34Å; K281-I301 VanDerWaalsContact CE-O 3.31Å; K281-I301 WeakPolarHBondContact CE-O 3.45Å; K281-Q302 HydrophobicContact CG-CB 4.11Å |
| 282 | D | 83.9 | Confident | 85.3 | Confident | 65 Ų | 65 | 54.8 Ų | 54.8 | 35% | 0.348 | 28% | 0.28 | S | S | . | . | trans | -107.1 | 98.5 | 175 | -173.7 | -8.6 | 0 | 0 | 0 | 109.2 | P280 S284 G287 | P280-D282 VanDerWaalsContact C-N 3.32Å; P280-D282 PolarHBondContact O-N 2.93Å; D282-S284 PolarHBondContact O-N 3.46Å; D282-S284 VanDerWaalsContact OD1-CB 3.23Å; D282-S284 WeakPolarHBondContact OD1-CB 3.27Å; D282-S284 PolarHBondContact OD1-N 2.78Å; D282-S284 PolarHBondContact OD1-OG 3.07Å; D282-G287 WeakPolarHBondContact OD2-CA 3.37Å | ||
| 283 | I | 82.8 | Confident | 84.7 | Confident | 31 Ų | 31 | 61.4 Ų | 61.4 | 16% | 0.159 | 31% | 0.309 | C | S | . | . | trans | -84 | -2.1 | -176.1 | -34.1 | 179.7 | 0 | 0 | 0 | 111.7 | V279 I338 A342 R345 L346 | V279-I283 HydrophobicContact CG1-CD1 4.2Å; I283-I338 HydrophobicContact CD1-CG1 4.03Å; I283-I338 HydrophobicContact CG2-CG2 4.49Å; I283-A342 HydrophobicContact CB-CB 4.47Å; I283-A342 HydrophobicContact CG2-CB 3.32Å; I283-R345 PolarHBondContact O-NH2 3.22Å; I283-L346 HydrophobicContact CG2-CD1 4.07Å | ||
| 284 | S | 81.4 | Confident | 84 | Confident | 51 Ų | 51 | 65 Ų | 65 | 36% | 0.357 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -68.2 | 160.8 | 178.2 | 75 | 0 | 0 | 0 | 0 | 111.9 | D282 F286 G287 A288 | D282-S284 PolarHBondContact O-N 3.46Å; D282-S284 VanDerWaalsContact OD1-CB 3.23Å; D282-S284 WeakPolarHBondContact OD1-CB 3.27Å; D282-S284 PolarHBondContact OD1-N 2.78Å; D282-S284 PolarHBondContact OD1-OG 3.07Å; S284-F286 PolarHBondContact O-N 3.34Å; S284-F286 PolarHBondContact OG-N 3.05Å; S284-G287 PolarHBondContact O-N 3.4Å; S284-G287 PolarHBondContact OG-N 3.19Å; S284-A288 PolarHBondContact O-N 2.84Å |
| 285 | V | 80.1 | Confident | 83.1 | Confident | 110 Ų | 110 | 73.4 Ų | 73.4 | 67% | 0.667 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -58.9 | -36.8 | 173.1 | 178.6 | 0 | 0 | 0 | 0 | 110.8 | A288 F289 | V285-A288 PolarHBondContact O-N 2.78Å; V285-F289 WeakPolarHBondContact O-CB 3.39Å; V285-F289 PolarHBondContact O-N 2.78Å |
| 286 | F | 81.8 | Confident | 81.9 | Confident | 143 Ų | 143 | 74.7 Ų | 74.7 | 63% | 0.627 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -68.2 | -40.4 | 176.4 | -174.8 | -98.1 | 0 | 0 | 0 | 112.1 | S284 F289 K290 | S284-F286 PolarHBondContact O-N 3.34Å; S284-F286 PolarHBondContact OG-N 3.05Å; F286-F289 WeakPolarHBondContact O-CB 3.43Å; F286-F289 PolarHBondContact O-N 2.72Å; F286-K290 WeakPolarHBondContact O-CB 3.26Å; F286-K290 PolarHBondContact O-N 3.37Å |
| 287 | G | 81.7 | Confident | 80.6 | Confident | 0 Ų | 0 | 77.6 Ų | 77.6 | 0% | 0 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -56.9 | -49.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112 | D282 S284 F289 K290 D291 | D282-G287 WeakPolarHBondContact OD2-CA 3.37Å; S284-G287 PolarHBondContact O-N 3.4Å; S284-G287 PolarHBondContact OG-N 3.19Å; G287-F289 VanDerWaalsContact C-N 3.32Å; G287-F289 PolarHBondContact O-N 2.9Å; G287-K290 WeakPolarHBondContact O-CB 3.4Å; G287-K290 PolarHBondContact O-N 3.05Å; G287-K290 VanDerWaalsContact O-N 3.1Å; G287-D291 VanDerWaalsContact O-CG 3.31Å; G287-D291 PolarHBondContact O-N 3.27Å |
| 288 | A | 76.5 | Confident | 79.7 | Confident | 26 Ų | 26 | 81.7 Ų | 81.7 | 22% | 0.215 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -59.3 | -41.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.7 | S284 V285 D291 M292 R345 | S284-A288 PolarHBondContact O-N 2.84Å; V285-A288 PolarHBondContact O-N 2.78Å; A288-D291 PolarHBondContact O-N 2.8Å; A288-M292 PolarHBondContact O-N 3.39Å; A288-M292 VanDerWaalsContact O-N 3.11Å; A288-R345 VanDerWaalsContact CB-NH1 3.27Å |
| 289 | F | 80.6 | Confident | 79 | Confident | 112 Ų | 112 | 81.5 Ų | 81.5 | 49% | 0.491 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -62.3 | -44.7 | 174.4 | -179.5 | -98.2 | 0 | 0 | 0 | 111.2 | V285 F286 G287 D291 M292 F293 | V285-F289 WeakPolarHBondContact O-CB 3.39Å; V285-F289 PolarHBondContact O-N 2.78Å; F286-F289 WeakPolarHBondContact O-CB 3.43Å; F286-F289 PolarHBondContact O-N 2.72Å; G287-F289 VanDerWaalsContact C-N 3.32Å; G287-F289 PolarHBondContact O-N 2.9Å; F289-D291 VanDerWaalsContact C-N 3.33Å; F289-D291 PolarHBondContact O-N 2.82Å; F289-M292 HydrophobicContact CD2-CE 3.9Å; F289-M292 HydrophobicContact CE2-CE 4Å; F289-M292 WeakPolarHBondContact O-CB 2.92Å; F289-M292 PolarHBondContact O-N 2.69Å; F289-F293 HydrophobicContact CD1-CD2 4.35Å; F289-F293 AromaticContact CD1-CE2 3.92Å; F289-F293 HydrophobicContact CD1-CE2 3.92Å; F289-F293 HydrophobicContact CD2-CE2 4.02Å; F289-F293 HydrophobicContact CE1-CD2 4.16Å; F289-F293 AromaticContact CE1-CE2 3.48Å; F289-F293 HydrophobicContact CE1-CE2 3.48Å; F289-F293 VanDerWaalsContact CE1-CE2 3.48Å; F289-F293 HydrophobicContact CE1-CZ 4.31Å; F289-F293 AromaticContact CE2-CE2 3.59Å; F289-F293 HydrophobicContact CE2-CE2 3.59Å; F289-F293 HydrophobicContact CE2-CZ 4.07Å; F289-F293 HydrophobicContact CG-CE2 4.19Å; F289-F293 HydrophobicContact CZ-CD2 4.39Å; F289-F293 AromaticContact CZ-CE2 3.31Å; F289-F293 HydrophobicContact CZ-CE2 3.31Å; F289-F293 AromaticContact CZ-CZ 3.78Å; F289-F293 HydrophobicContact CZ-CZ 3.78Å; F289-F293 WeakPolarHBondContact O-CD2 3.49Å |
| 290 | K | 81.1 | Confident | 78.7 | Confident | 108 Ų | 108 | 83.8 Ų | 83.8 | 47% | 0.47 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -62.5 | -39.7 | 176.8 | -173 | 177.7 | -178.7 | 176 | 0 | 112 | F286 G287 M292 F293 R294 | F286-K290 WeakPolarHBondContact O-CB 3.26Å; F286-K290 PolarHBondContact O-N 3.37Å; G287-K290 WeakPolarHBondContact O-CB 3.4Å; G287-K290 PolarHBondContact O-N 3.05Å; G287-K290 VanDerWaalsContact O-N 3.1Å; K290-M292 VanDerWaalsContact C-N 3.3Å; K290-M292 PolarHBondContact O-N 3.33Å; K290-F293 PolarHBondContact O-N 2.93Å; K290-R294 PolarHBondContact O-N 3.29Å |
| 291 | D | 79.4 | Confident | 78.7 | Confident | 29 Ų | 29 | 85.7 Ų | 85.7 | 16% | 0.155 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -65.1 | -32.8 | 177.7 | -71.8 | -29.6 | 0 | 0 | 0 | 112.6 | G287 A288 F289 F293 R294 C299 | G287-D291 VanDerWaalsContact O-CG 3.31Å; G287-D291 PolarHBondContact O-N 3.27Å; A288-D291 PolarHBondContact O-N 2.8Å; F289-D291 VanDerWaalsContact C-N 3.33Å; F289-D291 PolarHBondContact O-N 2.82Å; D291-F293 PolarHBondContact O-N 2.88Å; D291-R294 WeakPolarHBondContact O-CB 3.38Å; D291-R294 PolarHBondContact O-N 2.86Å; D291-R294 WeakPolarHBondContact OD1-CD 3.47Å; D291-R294 IonicContact OD1-CZ 3.96Å; D291-R294 IonicContact OD1-NE 3.69Å; D291-R294 IonicContact OD1-NH1 3.3Å; D291-R294 PolarHBondContact OD1-NH1 3.12Å; D291-C299 PolarHBondContact OD1-SG 2.83Å; D291-C299 VanDerWaalsContact OD1-SG 3.39Å; D291-C299 PolarHBondContact OD2-SG 3.04Å; D291-C299 VanDerWaalsContact OD2-SG 3.32Å |
| 292 | M | 75.1 | Confident | 78.8 | Confident | 131 Ų | 131 | 82.6 Ų | 82.6 | 65% | 0.645 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -61.6 | -25.1 | 174.1 | -171.6 | 177.2 | 63.5 | 0 | 0 | 113.3 | A288 F289 K290 | A288-M292 PolarHBondContact O-N 3.39Å; A288-M292 VanDerWaalsContact O-N 3.11Å; F289-M292 HydrophobicContact CD2-CE 3.9Å; F289-M292 HydrophobicContact CE2-CE 4Å; F289-M292 WeakPolarHBondContact O-CB 2.92Å; F289-M292 PolarHBondContact O-N 2.69Å; K290-M292 VanDerWaalsContact C-N 3.3Å; K290-M292 PolarHBondContact O-N 3.33Å |
| 293 | F | 80.7 | Confident | 79 | Confident | 146 Ų | 146 | 80.2 Ų | 80.2 | 64% | 0.64 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.9 | -1.7 | 175.9 | -64.3 | -81.3 | 0 | 0 | 0 | 113.7 | F289 K290 D291 | F289-F293 HydrophobicContact CD1-CD2 4.35Å; F289-F293 AromaticContact CD1-CE2 3.92Å; F289-F293 HydrophobicContact CD1-CE2 3.92Å; F289-F293 HydrophobicContact CD2-CE2 4.02Å; F289-F293 HydrophobicContact CE1-CD2 4.16Å; F289-F293 AromaticContact CE1-CE2 3.48Å; F289-F293 HydrophobicContact CE1-CE2 3.48Å; F289-F293 VanDerWaalsContact CE1-CE2 3.48Å; F289-F293 HydrophobicContact CE1-CZ 4.31Å; F289-F293 AromaticContact CE2-CE2 3.59Å; F289-F293 HydrophobicContact CE2-CE2 3.59Å; F289-F293 HydrophobicContact CE2-CZ 4.07Å; F289-F293 HydrophobicContact CG-CE2 4.19Å; F289-F293 HydrophobicContact CZ-CD2 4.39Å; F289-F293 AromaticContact CZ-CE2 3.31Å; F289-F293 HydrophobicContact CZ-CE2 3.31Å; F289-F293 AromaticContact CZ-CZ 3.78Å; F289-F293 HydrophobicContact CZ-CZ 3.78Å; F289-F293 WeakPolarHBondContact O-CD2 3.49Å; K290-F293 PolarHBondContact O-N 2.93Å; D291-F293 PolarHBondContact O-N 2.88Å |
| 294 | R | 78.8 | Confident | 79.6 | Confident | 81 Ų | 81 | 81.7 Ų | 81.7 | 31% | 0.306 | 43% | 0.433 | S | S | . | . | S | Bend | trans | -81.3 | 155.6 | 173.5 | -75 | 179.8 | 164.2 | 148 | -10.4 | 110.2 | K290 D291 D298 P300 | K290-R294 PolarHBondContact O-N 3.29Å; D291-R294 WeakPolarHBondContact O-CB 3.38Å; D291-R294 PolarHBondContact O-N 2.86Å; D291-R294 WeakPolarHBondContact OD1-CD 3.47Å; D291-R294 IonicContact OD1-CZ 3.96Å; D291-R294 IonicContact OD1-NE 3.69Å; D291-R294 IonicContact OD1-NH1 3.3Å; D291-R294 PolarHBondContact OD1-NH1 3.12Å; R294-D298 HydrophobicContact CB-CB 4.16Å; R294-P300 VanDerWaalsContact CZ-CD 3.43Å |
| 295 | R | 72.7 | Confident | 80.2 | Confident | 205 Ų | 205 | 79.2 Ų | 79.2 | 77% | 0.774 | 42% | 0.416 | S | S | * | . | P | Polyproline II helix | trans | -68.8 | 150.7 | 169 | -60.4 | 176.7 | 178.6 | 165.7 | -0.1 | 108.8 | G297 D298 | R295-G297 PolarHBondContact O-N 3.07Å; R295-D298 WeakPolarHBondContact CB-OD2 3.42Å; R295-D298 WeakPolarHBondContact O-CB 3.45Å; R295-D298 PolarHBondContact O-N 3.19Å |
| 296 | A | 66 | Low | 80.9 | Confident | 112 Ų | 112 | 74 Ų | 74 | 93% | 0.926 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | 124.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||
| 297 | G | 66.6 | Low | 81.5 | Confident | 75 Ų | 75 | 67.8 Ų | 67.8 | 77% | 0.773 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 96.8 | -18.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | R295 C299 | R295-G297 PolarHBondContact O-N 3.07Å; G297-C299 VanDerWaalsContact C-N 3.3Å; G297-C299 PolarHBondContact O-N 2.87Å |
| 298 | D | 75.3 | Confident | 82 | Confident | 97 Ų | 97 | 67.8 Ų | 67.8 | 52% | 0.519 | 36% | 0.357 | S | S | . | . | trans | -82.8 | -6.5 | -178.7 | -73.2 | -15.7 | 0 | 0 | 0 | 113.4 | R294 R295 P300 | R294-D298 HydrophobicContact CB-CB 4.16Å; R295-D298 WeakPolarHBondContact CB-OD2 3.42Å; R295-D298 WeakPolarHBondContact O-CB 3.45Å; R295-D298 PolarHBondContact O-N 3.19Å; D298-P300 VanDerWaalsContact O-CD 3.28Å; D298-P300 WeakPolarHBondContact O-CD 3.48Å | ||
| 299 | C | 75.6 | Confident | 82.5 | Confident | 38 Ų | 38 | 66.7 Ų | 66.7 | 26% | 0.257 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -66.6 | 120.9 | 176.7 | 179.8 | 0 | 0 | 0 | 0 | 109.8 | D291 G297 I301 | D291-C299 PolarHBondContact OD1-SG 2.83Å; D291-C299 VanDerWaalsContact OD1-SG 3.39Å; D291-C299 PolarHBondContact OD2-SG 3.04Å; D291-C299 VanDerWaalsContact OD2-SG 3.32Å; G297-C299 VanDerWaalsContact C-N 3.3Å; G297-C299 PolarHBondContact O-N 2.87Å; C299-I301 PolarHBondContact O-N 2.8Å |
| 300 | P | 82.7 | Confident | 82.8 | Confident | 48 Ų | 48 | 61.5 Ų | 61.5 | 31% | 0.312 | 33% | 0.325 | S | S | . | . | P | Polyproline II helix | trans | -65.7 | 116.5 | 173 | -18.2 | 32.2 | 0 | 0 | 0 | 109.7 | K281 R294 D298 | K281-P300 HydrophobicContact CB-CB 4.22Å; K281-P300 HydrophobicContact CD-CB 3.79Å; K281-P300 HydrophobicContact CG-CB 4.02Å; K281-P300 WeakPolarHBondContact CG-O 3.38Å; K281-P300 PolarHBondContact N-O 3.34Å; R294-P300 VanDerWaalsContact CZ-CD 3.43Å; D298-P300 VanDerWaalsContact O-CD 3.28Å; D298-P300 WeakPolarHBondContact O-CD 3.48Å |
| 301 | I | 85.7 | Confident | 82.6 | Confident | 49 Ų | 49 | 56.3 Ų | 56.3 | 25% | 0.251 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 134.7 | -179.5 | -67.4 | 162.6 | 0 | 0 | 0 | 109.5 | A278 K281 C299 A303 R304 | A278-I301 HydrophobicContact CB-CD1 4.1Å; A278-I301 HydrophobicContact CB-CG1 4.32Å; A278-I301 HydrophobicContact CB-CG2 4.43Å; K281-I301 VanDerWaalsContact CE-O 3.31Å; K281-I301 WeakPolarHBondContact CE-O 3.45Å; C299-I301 PolarHBondContact O-N 2.8Å; I301-A303 WeakPolarHBondContact CG2-O 3.47Å; I301-R304 VanDerWaalsContact CD1-NH2 3.31Å; I301-R304 HydrophobicContact CG2-CG 4.16Å |
| 302 | Q | 85.8 | Confident | 82.3 | Confident | 78 Ų | 78 | 56 Ų | 56 | 36% | 0.364 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | -51.2 | 170.8 | 180 | 175.6 | -7.1 | 0 | 0 | 110.5 | V279 K281 Y328 | V279-Q302 PolarHBondContact O-N 3.18Å; K281-Q302 HydrophobicContact CG-CB 4.11Å; Q302-Y328 PolarHBondContact NE2-OH 3.38Å |
| 303 | A | 89.8 | Confident | 81.7 | Confident | 14 Ų | 14 | 51.1 Ų | 51.1 | 12% | 0.116 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 150 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | V279 I301 L305 Y328 | V279-A303 PolarHBondContact N-O 2.85Å; V279-A303 PolarHBondContact O-N 2.97Å; I301-A303 WeakPolarHBondContact CG2-O 3.47Å; A303-L305 HydrophobicContact CB-CD2 4.04Å; A303-L305 HydrophobicContact CB-CG 4.32Å; A303-Y328 HydrophobicContact CB-CE2 3.85Å |
| 304 | R | 93.6 | Very high | 80.3 | Confident | 62 Ų | 62 | 45 Ų | 45 | 23% | 0.234 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 109.5 | 169.1 | -76.2 | -178.8 | 178.3 | 76.9 | -0.8 | 107.8 | V211 F214 I301 P359 L360 | V211-R304 VanDerWaalsContact CG1-NH2 3.32Å; V211-R304 VanDerWaalsContact CG2-CZ 3.47Å; F214-R304 HydrophobicContact CD1-CG 4.19Å; F214-R304 HydrophobicContact CD2-CB 3.84Å; F214-R304 HydrophobicContact CD2-CG 4.36Å; F214-R304 HydrophobicContact CE1-CB 4.39Å; F214-R304 HydrophobicContact CE1-CG 4.14Å; F214-R304 HydrophobicContact CE2-CB 3.67Å; F214-R304 HydrophobicContact CE2-CG 4.29Å; F214-R304 HydrophobicContact CG-CB 4.27Å; F214-R304 HydrophobicContact CG-CG 4.3Å; F214-R304 HydrophobicContact CZ-CB 3.95Å; F214-R304 HydrophobicContact CZ-CG 4.17Å; I301-R304 VanDerWaalsContact CD1-NH2 3.31Å; I301-R304 HydrophobicContact CG2-CG 4.16Å; R304-P359 CarbonylContact O-C 3.57Å; R304-P359 WeakPolarHBondContact O-CA 3.46Å; R304-L360 HydrophobicContact CB-CB 4.03Å; R304-L360 HydrophobicContact CB-CD2 4.35Å; R304-L360 PolarHBondContact O-N 3.33Å |
| 305 | L | 94.7 | Very high | 78.7 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 140.4 | -175.1 | -55.7 | -178.4 | 0 | 0 | 0 | 110.4 | V276 C277 V279 A303 Y328 L348 W357 P359 | V276-L305 CarbonylContact C-O 3.51Å; V276-L305 WeakPolarHBondContact CA-O 3.49Å; C277-L305 PolarHBondContact N-O 3.4Å; C277-L305 PolarHBondContact O-N 3.32Å; V279-L305 HydrophobicContact CG2-CD1 3.64Å; V279-L305 HydrophobicContact CG2-CG 4.04Å; A303-L305 HydrophobicContact CB-CD2 4.04Å; A303-L305 HydrophobicContact CB-CG 4.32Å; L305-Y328 HydrophobicContact CD1-CD1 3.71Å; L305-Y328 HydrophobicContact CD1-CE1 4.13Å; L305-Y328 HydrophobicContact CD1-CG 3.93Å; L305-Y328 HydrophobicContact CD2-CD1 4.26Å; L305-Y328 HydrophobicContact CD2-CD2 3.61Å; L305-Y328 HydrophobicContact CD2-CE2 4Å; L305-Y328 HydrophobicContact CD2-CG 3.72Å; L305-L348 HydrophobicContact CD1-CD2 4.09Å; L305-W357 HydrophobicContact CB-CE3 3.67Å; L305-W357 HydrophobicContact CB-CZ3 4.17Å; L305-P359 HydrophobicContact CD2-CB 4.13Å; L305-P359 HydrophobicContact CD2-CG 3.88Å |
| 306 | M | 95.1 | Very high | 77.4 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 128.9 | 175.5 | -58.1 | -172.8 | 70.5 | 0 | 0 | 107.9 | F214 M217 F229 L273 V276 I358 L360 I363 | F214-M306 HydrophobicContact CD2-CG 4.11Å; F214-M306 HydrophobicContact CD2-SD 4.3Å; F214-M306 HydrophobicContact CE2-CG 3.86Å; M217-M306 HydrophobicContact CB-CE 4.15Å; M217-M306 HydrophobicContact CG-CE 4.01Å; F229-M306 HydrophobicContact CE1-CE 4.45Å; F229-M306 HydrophobicContact CE2-CE 3.57Å; F229-M306 HydrophobicContact CZ-CE 3.43Å; F229-M306 VanDerWaalsContact CZ-CE 3.43Å; F229-M306 HydrophobicContact CZ-SD 4.39Å; L273-M306 HydrophobicContact CD1-CB 3.87Å; L273-M306 HydrophobicContact CD1-CE 3.6Å; L273-M306 HydrophobicContact CD2-CE 3.8Å; L273-M306 HydrophobicContact CG-CE 4.33Å; V276-M306 HydrophobicContact CG1-CE 4.07Å; V276-M306 HydrophobicContact CG1-CG 4.2Å; M306-I358 HydrophobicContact CB-CG2 4.49Å; M306-I358 PolarHBondContact N-O 2.91Å; M306-I358 WeakPolarHBondContact O-CG2 3.35Å; M306-I358 PolarHBondContact O-N 2.82Å; M306-L360 HydrophobicContact SD-CD1 3.91Å; M306-I363 HydrophobicContact CB-CG1 4.35Å; M306-I363 HydrophobicContact CG-CG1 4.5Å; M306-I363 HydrophobicContact SD-CB 4.37Å; M306-I363 HydrophobicContact SD-CG1 3.96Å; M306-I363 HydrophobicContact SD-CG2 4.19Å |
| 307 | R | 93.7 | Very high | 76.3 | Confident | 13 Ų | 13 | 43.5 Ų | 43.5 | 5% | 0.049 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 111.8 | 175.9 | -165.6 | 172 | 65.3 | 175.5 | 13.1 | 108.8 | T274 R275 T349 D351 E355 F356 W357 | T274-R307 PolarHBondContact N-O 3.01Å; T274-R307 PolarHBondContact OG1-NE 2.79Å; R275-R307 HydrophobicContact CB-CB 3.87Å; R275-R307 PolarHBondContact N-O 2.84Å; R275-R307 PolarHBondContact O-N 2.85Å; R307-T349 PolarHBondContact NH1-O 2.63Å; R307-D351 IonicContact CZ-OD2 3.07Å; R307-D351 IonicContact NH1-OD1 3.87Å; R307-D351 PolarHBondContact NH1-OD1 2.93Å; R307-D351 IonicContact NH1-OD2 2.76Å; R307-D351 PolarHBondContact NH1-OD2 3.06Å; R307-D351 IonicContact NH2-OD2 3.29Å; R307-D351 PolarHBondContact NH2-OD2 3.37Å; R307-E355 HydrophobicContact CG-CB 4.3Å; R307-E355 IonicContact CZ-OE1 3.36Å; R307-E355 IonicContact CZ-OE2 4Å; R307-E355 VanDerWaalsContact CZ-OE2 3.31Å; R307-E355 IonicContact NE-OE1 2.87Å; R307-E355 IonicContact NE-OE2 2.64Å; R307-E355 PolarHBondContact NE-OE2 3.03Å; R307-E355 IonicContact NH1-OE2 3.72Å; R307-E355 IonicContact NH2-OE1 2.53Å; R307-E355 IonicContact NH2-OE2 3.46Å; R307-F356 CarbonylContact C-O 3.19Å; R307-F356 WeakPolarHBondContact CA-O 3.42Å; R307-W357 HydrophobicContact CB-CD2 3.84Å; R307-W357 HydrophobicContact CB-CE3 3.7Å; R307-W357 HydrophobicContact CB-CH2 3.83Å; R307-W357 HydrophobicContact CB-CZ2 3.91Å; R307-W357 HydrophobicContact CB-CZ3 3.71Å; R307-W357 HydrophobicContact CG-CD2 4.12Å; R307-W357 HydrophobicContact CG-CE3 4.48Å; R307-W357 HydrophobicContact CG-CZ2 4.2Å |
| 308 | L | 92.4 | Very high | 75.1 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 153.5 | 176 | -65.2 | -169.4 | 0 | 0 | 0 | 110.3 | F229 Y271 L272 L273 E355 F356 I358 I363 M367 | F229-L308 HydrophobicContact CD2-CD2 3.89Å; Y271-L308 HydrophobicContact CG-CD1 4.31Å; L272-L308 CarbonylContact O-C 3.46Å; L272-L308 WeakPolarHBondContact O-CA 3.43Å; L273-L308 HydrophobicContact CB-CD2 4.12Å; L273-L308 HydrophobicContact CD1-CD2 3.88Å; L308-E355 CarbonylContact O-C 3.03Å; L308-E355 VanDerWaalsContact O-CA 3.27Å; L308-E355 WeakPolarHBondContact O-CA 3.16Å; L308-F356 HydrophobicContact CB-CD2 4.45Å; L308-F356 HydrophobicContact CB-CE1 4.36Å; L308-F356 HydrophobicContact CB-CE2 3.87Å; L308-F356 HydrophobicContact CB-CZ 3.82Å; L308-F356 HydrophobicContact CD1-CE2 4.26Å; L308-F356 HydrophobicContact CD1-CZ 4.37Å; L308-F356 HydrophobicContact CG-CE2 4.5Å; L308-F356 PolarHBondContact N-O 3.26Å; L308-F356 PolarHBondContact O-N 3.27Å; L308-I358 HydrophobicContact CD1-CG2 3.9Å; L308-I358 HydrophobicContact CG-CG2 3.89Å; L308-I363 HydrophobicContact CD1-CD1 3.47Å; L308-I363 VanDerWaalsContact CD1-CD1 3.47Å; L308-I363 HydrophobicContact CD2-CD1 4.43Å; L308-I363 HydrophobicContact CG-CD1 4.1Å; L308-M367 HydrophobicContact CD1-CE 3.62Å |
| 309 | R | 88 | Confident | 74.1 | Confident | 3 Ų | 3 | 41 Ų | 41 | 1% | 0.011 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 129.6 | 173.1 | 177.3 | 170.9 | 170.8 | 134.7 | 21 | 110.6 | F71 Y92 L272 T274 P311 T354 E355 | F71-R309 PolarHBondContact O-NH2 3.06Å; Y92-R309 WeakPolarHBondContact OH-CD 3.49Å; Y92-R309 PolarHBondContact OH-NH1 3.26Å; L272-R309 HydrophobicContact CB-CB 4.32Å; L272-R309 PolarHBondContact N-O 2.88Å; L272-R309 VanDerWaalsContact N-O 3.08Å; L272-R309 PolarHBondContact O-N 2.86Å; T274-R309 HydrophobicContact CG2-CB 3.85Å; R309-P311 WeakPolarHBondContact O-CD 3.34Å; R309-T354 CarbonylContact C-O 3.45Å; R309-T354 WeakPolarHBondContact CA-O 3.34Å; R309-T354 PolarHBondContact NH2-OG1 3.37Å; R309-E355 HydrophobicContact CB-CG 3.97Å; R309-E355 HydrophobicContact CG-CG 4.16Å |
| 310 | C | 85.8 | Confident | 73.4 | Confident | 2 Ų | 2 | 40.9 Ų | 40.9 | 1% | 0.014 | 25% | 0.249 | C | C | . | . | trans | -77.4 | 122.7 | 165 | -167.7 | 0 | 0 | 0 | 0 | 109.4 | Y271 L312 T354 | Y271-C310 HydrophobicContact CD1-CB 4.32Å; Y271-C310 HydrophobicContact CE1-CB 4Å; C310-L312 VanDerWaalsContact C-N 3.31Å; C310-L312 PolarHBondContact O-N 3.35Å; C310-T354 PolarHBondContact N-O 2.85Å | ||
| 311 | P | 77.7 | Confident | 72.8 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -69.8 | -25.8 | 178 | -22.4 | 34.3 | 0 | 0 | 0 | 114.4 | F81 L84 L85 T88 G270 R309 | F81-P311 HydrophobicContact CZ-CB 3.99Å; F81-P311 HydrophobicContact CZ-CG 3.93Å; L84-P311 HydrophobicContact CD2-CB 3.44Å; L84-P311 VanDerWaalsContact CD2-CB 3.44Å; L85-P311 HydrophobicContact CD1-CG 3.57Å; T88-P311 HydrophobicContact CG2-CB 4.04Å; T88-P311 HydrophobicContact CG2-CG 4.46Å; G270-P311 WeakPolarHBondContact O-CD 3.45Å; R309-P311 WeakPolarHBondContact O-CD 3.34Å |
| 312 | L | 72.3 | Confident | 72.6 | Confident | 22 Ų | 22 | 40.1 Ų | 40.1 | 12% | 0.115 | 24% | 0.241 | C | C | . | . | B | Isolated β-bridge | trans | -84.1 | 135 | 178.9 | -81.4 | 165.1 | 0 | 0 | 0 | 110.8 | R75 F81 L84 Y269 C310 | R75-L312 HydrophobicContact CB-CD2 4.02Å; F81-L312 HydrophobicContact CD2-CD1 4.32Å; F81-L312 HydrophobicContact CE2-CD1 3.8Å; F81-L312 HydrophobicContact CE2-CG 3.83Å; L84-L312 HydrophobicContact CD1-CD2 3.77Å; L84-L312 HydrophobicContact CD1-CG 4.33Å; Y269-L312 HydrophobicContact CE2-CD1 3.62Å; Y269-L312 WeakPolarHBondContact OH-CB 3.39Å; Y269-L312 WeakPolarHBondContact OH-CD1 3.19Å; Y269-L312 WeakPolarHBondContact OH-CG 3.09Å; Y269-L312 PolarHBondContact OH-N 2.84Å; C310-L312 VanDerWaalsContact C-N 3.31Å; C310-L312 PolarHBondContact O-N 3.35Å |
| 313 | S | 61.9 | Low | 72.6 | Confident | 29 Ų | 29 | 38.3 Ų | 38.3 | 20% | 0.203 | 23% | 0.233 | C | C | . | . | P | Polyproline II helix | trans | -92 | 124.9 | 153.2 | 51.5 | 0 | 0 | 0 | 0 | 108.8 | S72 I315 | S72-S313 WeakPolarHBondContact OG-CB 3.19Å; S72-S313 PolarHBondContact OG-OG 2.91Å; S313-I315 PolarHBondContact O-N 2.84Å |
| 314 | V | 52.5 | Low | 72.5 | Confident | 16 Ų | 16 | 38.3 Ų | 38.3 | 10% | 0.097 | 23% | 0.23 | C | C | . | . | P | Polyproline II helix | trans | -80 | 122.3 | 176.6 | 177.6 | 0 | 0 | 0 | 0 | 110 | Y266 Q321 | Y266-V314 WeakPolarHBondContact OH-CG2 3.35Å; V314-Q321 HydrophobicContact CB-CB 4.12Å; V314-Q321 HydrophobicContact CB-CG 3.95Å; V314-Q321 HydrophobicContact CG1-CB 4.4Å; V314-Q321 HydrophobicContact CG1-CG 3.83Å; V314-Q321 HydrophobicContact CG2-CB 3.57Å; V314-Q321 HydrophobicContact CG2-CG 3.94Å |
| 315 | I | 45.4 | Very low | 72.2 | Confident | 125 Ų | 125 | 41.5 Ų | 41.5 | 64% | 0.641 | 25% | 0.245 | S | C | * | . | S | Bend | trans | 30.5 | 122.8 | 149.5 | -45.7 | 161.6 | 0 | 0 | 0 | 115.7 | S313 S317 | S313-I315 PolarHBondContact O-N 2.84Å; I315-S317 WeakPolarHBondContact O-CA 3.39Å; I315-S317 PolarHBondContact O-N 2.84Å; I315-S317 PolarHBondContact O-OG 3Å |
| 316 | D | 45.5 | Very low | 71.9 | Confident | 154 Ų | 154 | 42.7 Ų | 42.7 | 82% | 0.824 | 26% | 0.258 | S | S | * | . | S | Bend | trans | 2.9 | -26.4 | 172.5 | -69.6 | -14.1 | 0 | 0 | 0 | 121.6 | G318 | D316-G318 VanDerWaalsContact C-N 3.33Å; D316-G318 PolarHBondContact O-N 2.87Å |
| 317 | S | 41.8 | Very low | 71.4 | Confident | 88 Ų | 88 | 43.7 Ų | 43.7 | 62% | 0.615 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -68.9 | -12.1 | 172.5 | 66.7 | 0 | 0 | 0 | 0 | 116.7 | I315 S319 | I315-S317 WeakPolarHBondContact O-CA 3.39Å; I315-S317 PolarHBondContact O-N 2.84Å; I315-S317 PolarHBondContact O-OG 3Å; S317-S319 VanDerWaalsContact C-N 3.3Å; S317-S319 PolarHBondContact O-N 3.27Å |
| 318 | G | 42.8 | Very low | 70.9 | Confident | 57 Ų | 57 | 43.8 Ų | 43.8 | 59% | 0.588 | 27% | 0.267 | S | S | * | . | trans | 70.5 | 14.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | D316 | D316-G318 VanDerWaalsContact C-N 3.33Å; D316-G318 PolarHBondContact O-N 2.87Å | ||
| 319 | S | 52.6 | Low | 70.4 | Confident | 62 Ų | 62 | 43.9 Ų | 43.9 | 43% | 0.434 | 27% | 0.267 | S | S | . | . | trans | -99.6 | 122.7 | 173 | 60.4 | 0 | 0 | 0 | 0 | 110.9 | S317 Q321 | S317-S319 VanDerWaalsContact C-N 3.3Å; S317-S319 PolarHBondContact O-N 3.27Å; S319-Q321 PolarHBondContact O-N 2.82Å | ||
| 320 | G | 61.8 | Low | 69.8 | Low | 36 Ų | 36 | 47.3 Ų | 47.3 | 37% | 0.371 | 29% | 0.292 | S | S | . | . | trans | -62.5 | 112.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 321 | Q | 70.4 | Confident | 69.3 | Low | 79 Ų | 79 | 52 Ų | 52 | 37% | 0.369 | 33% | 0.325 | S | S | . | . | trans | -96.9 | 159 | 167 | -54.2 | -177.5 | -11.5 | 0 | 0 | 110 | Y266 V314 S319 | Y266-Q321 WeakPolarHBondContact OH-CB 3.45Å; Y266-Q321 PolarHBondContact OH-OE1 2.85Å; V314-Q321 HydrophobicContact CB-CB 4.12Å; V314-Q321 HydrophobicContact CB-CG 3.95Å; V314-Q321 HydrophobicContact CG1-CB 4.4Å; V314-Q321 HydrophobicContact CG1-CG 3.83Å; V314-Q321 HydrophobicContact CG2-CB 3.57Å; V314-Q321 HydrophobicContact CG2-CG 3.94Å; S319-Q321 PolarHBondContact O-N 2.82Å | ||
| 322 | G | 80.4 | Confident | 69.5 | Low | 2 Ų | 2 | 52.6 Ų | 52.6 | 2% | 0.021 | 33% | 0.329 | C | S | . | . | S | Bend | trans | 87.3 | 18.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | G264 Y271 | G264-G322 CarbonylContact O-C 3.55Å; G264-G322 WeakPolarHBondContact O-CA 3.45Å; Y271-G322 WeakPolarHBondContact CE1-O 3.43Å; Y271-G322 PolarHBondContact OH-O 2.87Å |
| 323 | E | 85.8 | Confident | 70 | Confident | 40 Ų | 40 | 55.1 Ų | 55.1 | 19% | 0.187 | 35% | 0.348 | C | S | . | . | trans | -97.9 | 149.9 | 179.2 | -58.8 | -176.1 | -178.1 | 0 | 0 | 112.2 | G264 K325 F356 | G264-E323 CarbonylContact C-O 3.49Å; G264-E323 VanDerWaalsContact C-O 3.31Å; G264-E323 WeakPolarHBondContact CA-O 3.47Å; G264-E323 PolarHBondContact O-N 2.8Å; E323-K325 PolarHBondContact O-N 3.05Å; E323-F356 HydrophobicContact CB-CB 4.46Å; E323-F356 HydrophobicContact CB-CD1 3.82Å; E323-F356 HydrophobicContact CB-CE1 4.3Å; E323-F356 HydrophobicContact CB-CG 4.19Å; E323-F356 HydrophobicContact CG-CD1 3.78Å; E323-F356 HydrophobicContact CG-CE1 4.3Å | ||
| 324 | W | 88.9 | Confident | 71 | Confident | 15 Ų | 15 | 56.6 Ų | 56.6 | 6% | 0.057 | 35% | 0.352 | C | S | . | . | trans | -62.2 | 128.3 | 174.4 | 177.2 | -117.1 | 0 | 0 | 0 | 111.7 | S263 L265 G326 A327 S329 F356 I358 F362 H366 | S263-W324 WeakPolarHBondContact O-CA 3.15Å; L265-W324 HydrophobicContact CD1-CE3 4.37Å; L265-W324 HydrophobicContact CD2-CB 4.42Å; L265-W324 HydrophobicContact CG-CE3 4.46Å; W324-G326 VanDerWaalsContact CE2-CA 3.42Å; W324-G326 VanDerWaalsContact NE1-C 3.29Å; W324-A327 PolarHBondContact NE1-O 3.08Å; W324-S329 WeakPolarHBondContact O-CB 3.39Å; W324-F356 HydrophobicContact CB-CD2 3.38Å; W324-F356 HydrophobicContact CB-CE2 3.6Å; W324-F356 HydrophobicContact CB-CG 4.27Å; W324-I358 HydrophobicContact CB-CB 4.27Å; W324-I358 HydrophobicContact CB-CD1 4.34Å; W324-I358 HydrophobicContact CD2-CD1 3.75Å; W324-I358 HydrophobicContact CD2-CG1 3.91Å; W324-I358 HydrophobicContact CE3-CD1 3.76Å; W324-I358 HydrophobicContact CE3-CG1 4.4Å; W324-I358 HydrophobicContact CG-CB 4.05Å; W324-I358 HydrophobicContact CG-CD1 4.02Å; W324-I358 HydrophobicContact CG-CG1 3.95Å; W324-I358 HydrophobicContact CZ3-CD1 4.33Å; W324-F362 HydrophobicContact CH2-CB 3.8Å; W324-F362 AromaticContact CH2-CD1 3.51Å; W324-F362 HydrophobicContact CH2-CD1 3.51Å; W324-F362 HydrophobicContact CH2-CD2 4.08Å; W324-F362 HydrophobicContact CH2-CE1 4.08Å; W324-F362 AromaticContact CH2-CG 3.51Å; W324-F362 HydrophobicContact CH2-CG 3.51Å; W324-F362 HydrophobicContact CZ2-CB 3.92Å; W324-F362 AromaticContact CZ2-CD1 3.84Å; W324-F362 HydrophobicContact CZ2-CD1 3.84Å; W324-F362 AromaticContact CZ2-CD2 3.55Å; W324-F362 HydrophobicContact CZ2-CD2 3.55Å; W324-F362 HydrophobicContact CZ2-CE1 4.24Å; W324-F362 AromaticContact CZ2-CE2 3.99Å; W324-F362 HydrophobicContact CZ2-CE2 3.99Å; W324-F362 AromaticContact CZ2-CG 3.48Å; W324-F362 HydrophobicContact CZ2-CG 3.48Å; W324-F362 VanDerWaalsContact CZ2-CG 3.48Å; W324-F362 HydrophobicContact CZ2-CZ 4.32Å; W324-F362 HydrophobicContact CZ3-CB 4.34Å; W324-F362 HydrophobicContact CZ3-CG 4.49Å; W324-H366 AromaticContact CZ3-CD2 3.87Å; W324-H366 AromaticContact CZ3-NE2 3.77Å | ||
| 325 | K | 86.5 | Confident | 72.3 | Confident | 128 Ų | 128 | 56.5 Ų | 56.5 | 56% | 0.557 | 35% | 0.35 | S | S | * | . | trans | -103.9 | -5 | -179.4 | -67.8 | -178.5 | 179.9 | 179 | 0 | 114.9 | S263 E323 S329 | S263-K325 PolarHBondContact O-N 2.66Å; E323-K325 PolarHBondContact O-N 3.05Å; K325-S329 PolarHBondContact O-OG 3.45Å | ||
| 326 | G | 88.2 | Confident | 73.9 | Confident | 26 Ų | 26 | 57.8 Ų | 57.8 | 27% | 0.268 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -86.2 | -152 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | W324 S329 | W324-G326 VanDerWaalsContact CE2-CA 3.42Å; W324-G326 VanDerWaalsContact NE1-C 3.29Å; G326-S329 WeakPolarHBondContact O-CB 3.45Å; G326-S329 PolarHBondContact O-N 3.22Å; G326-S329 VanDerWaalsContact O-N 3.08Å; G326-S329 PolarHBondContact O-OG 2.77Å |
| 327 | A | 84.9 | Confident | 75.6 | Confident | 20 Ų | 20 | 56.9 Ų | 56.9 | 17% | 0.165 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | 139.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | W324 S329 E334 P359 | W324-A327 PolarHBondContact NE1-O 3.08Å; A327-S329 PolarHBondContact O-N 3.42Å; A327-E334 HydrophobicContact CB-CG 4.39Å; A327-E334 WeakPolarHBondContact CB-OE1 3.47Å; A327-P359 HydrophobicContact CB-CG 4.49Å; A327-P359 WeakPolarHBondContact O-CD 3.37Å |
| 328 | Y | 83.4 | Confident | 77.5 | Confident | 16 Ų | 16 | 52.7 Ų | 52.7 | 6% | 0.063 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 63.9 | 9.2 | -174.6 | -59.4 | -85.7 | 0 | 0 | 0 | 116 | Q302 A303 L305 S332 E334 I338 P359 | Q302-Y328 PolarHBondContact NE2-OH 3.38Å; A303-Y328 HydrophobicContact CB-CE2 3.85Å; L305-Y328 HydrophobicContact CD1-CD1 3.71Å; L305-Y328 HydrophobicContact CD1-CE1 4.13Å; L305-Y328 HydrophobicContact CD1-CG 3.93Å; L305-Y328 HydrophobicContact CD2-CD1 4.26Å; L305-Y328 HydrophobicContact CD2-CD2 3.61Å; L305-Y328 HydrophobicContact CD2-CE2 4Å; L305-Y328 HydrophobicContact CD2-CG 3.72Å; Y328-S332 WeakPolarHBondContact CA-OG 3.14Å; Y328-S332 PolarHBondContact N-OG 2.99Å; Y328-E334 HydrophobicContact CD1-CB 4.22Å; Y328-E334 HydrophobicContact CD2-CB 4.33Å; Y328-E334 HydrophobicContact CE1-CB 4.11Å; Y328-E334 HydrophobicContact CE2-CB 4.28Å; Y328-E334 HydrophobicContact CG-CB 4.34Å; Y328-I338 HydrophobicContact CD1-CD1 4.2Å; Y328-I338 HydrophobicContact CE1-CD1 3.8Å; Y328-P359 HydrophobicContact CD2-CG 3.81Å; Y328-P359 HydrophobicContact CE2-CG 4.47Å |
| 329 | S | 83 | Confident | 79.3 | Confident | 2 Ų | 2 | 54.2 Ų | 54.2 | 1% | 0.014 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -64.8 | 162.5 | 164.4 | 68.9 | 0 | 0 | 0 | 0 | 111.1 | W324 K325 G326 A327 S331 S332 W335 | W324-S329 WeakPolarHBondContact O-CB 3.39Å; K325-S329 PolarHBondContact O-OG 3.45Å; G326-S329 WeakPolarHBondContact O-CB 3.45Å; G326-S329 PolarHBondContact O-N 3.22Å; G326-S329 VanDerWaalsContact O-N 3.08Å; G326-S329 PolarHBondContact O-OG 2.77Å; A327-S329 PolarHBondContact O-N 3.42Å; S329-S331 PolarHBondContact O-N 3.47Å; S329-S332 PolarHBondContact N-OG 3.1Å; S329-S332 VanDerWaalsContact N-OG 3.17Å; S329-S332 WeakPolarHBondContact O-CB 3.08Å; S329-S332 PolarHBondContact O-N 3.32Å; S329-S332 PolarHBondContact O-OG 2.85Å; S329-W335 WeakPolarHBondContact O-CB 3.41Å |
| 330 | S | 74.5 | Confident | 80.7 | Confident | 75 Ų | 75 | 56.4 Ų | 56.4 | 52% | 0.524 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -19.8 | -178.7 | 56.2 | 0 | 0 | 0 | 0 | 114.4 | ||
| 331 | S | 75.5 | Confident | 81.5 | Confident | 101 Ų | 101 | 61.8 Ų | 61.8 | 71% | 0.706 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.5 | 7.3 | 179.7 | 60.3 | 0 | 0 | 0 | 0 | 114.2 | S329 | S329-S331 PolarHBondContact O-N 3.47Š|
| 332 | S | 82.8 | Confident | 82.1 | Confident | 12 Ų | 12 | 58.1 Ų | 58.1 | 8% | 0.084 | 31% | 0.314 | C | S | . | . | trans | -84.8 | 150.5 | -177.2 | 66.6 | 0 | 0 | 0 | 0 | 113.4 | Y328 S329 E334 W335 E336 | Y328-S332 WeakPolarHBondContact CA-OG 3.14Å; Y328-S332 PolarHBondContact N-OG 2.99Å; S329-S332 PolarHBondContact N-OG 3.1Å; S329-S332 VanDerWaalsContact N-OG 3.17Å; S329-S332 WeakPolarHBondContact O-CB 3.08Å; S329-S332 PolarHBondContact O-N 3.32Å; S329-S332 PolarHBondContact O-OG 2.85Å; S332-E334 VanDerWaalsContact C-N 3.3Å; S332-E334 WeakPolarHBondContact CB-OE2 3.4Å; S332-E334 PolarHBondContact O-N 3.38Å; S332-W335 WeakPolarHBondContact O-CB 3.38Å; S332-W335 PolarHBondContact O-N 3.39Å; S332-W335 WeakPolarHBondContact OG-CB 3.44Å; S332-W335 PolarHBondContact OG-N 3.46Å; S332-E336 PolarHBondContact O-N 3.38Å | ||
| 333 | S | 81.9 | Confident | 82.2 | Confident | 74 Ų | 74 | 60.3 Ų | 60.3 | 52% | 0.517 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60.8 | -38.9 | 173.5 | 37.1 | 0 | 0 | 0 | 0 | 112.7 | W335 E336 E337 | S333-W335 PolarHBondContact O-N 3.26Å; S333-E336 WeakPolarHBondContact O-CA 3.43Å; S333-E336 WeakPolarHBondContact O-CB 3.49Å; S333-E336 PolarHBondContact O-N 3.11Å; S333-E337 PolarHBondContact O-N 3.45Å |
| 334 | E | 82.1 | Confident | 82 | Confident | 61 Ų | 61 | 65.2 Ų | 65.2 | 29% | 0.285 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -64.1 | -31 | -179.5 | -61.7 | 91.3 | 141.4 | 0 | 0 | 111.2 | A327 Y328 S332 | A327-E334 HydrophobicContact CB-CG 4.39Å; A327-E334 WeakPolarHBondContact CB-OE1 3.47Å; Y328-E334 HydrophobicContact CD1-CB 4.22Å; Y328-E334 HydrophobicContact CD2-CB 4.33Å; Y328-E334 HydrophobicContact CE1-CB 4.11Å; Y328-E334 HydrophobicContact CE2-CB 4.28Å; Y328-E334 HydrophobicContact CG-CB 4.34Å; S332-E334 VanDerWaalsContact C-N 3.3Å; S332-E334 WeakPolarHBondContact CB-OE2 3.4Å; S332-E334 PolarHBondContact O-N 3.38Å |
| 335 | W | 79.8 | Confident | 81.7 | Confident | 14 Ų | 14 | 69.7 Ų | 69.7 | 5% | 0.053 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -66.7 | -46.7 | 171.6 | -170.2 | -112.9 | 0 | 0 | 0 | 110.6 | S329 S332 S333 E337 I338 R343 L348 F350 W357 | S329-W335 WeakPolarHBondContact O-CB 3.41Å; S332-W335 WeakPolarHBondContact O-CB 3.38Å; S332-W335 PolarHBondContact O-N 3.39Å; S332-W335 WeakPolarHBondContact OG-CB 3.44Å; S332-W335 PolarHBondContact OG-N 3.46Å; S333-W335 PolarHBondContact O-N 3.26Å; W335-E337 VanDerWaalsContact C-N 3.3Å; W335-E337 PolarHBondContact O-N 3.44Å; W335-I338 PolarHBondContact O-N 3.45Å; W335-I338 VanDerWaalsContact O-N 3.16Å; W335-R343 VanDerWaalsContact C-NH2 3.29Å; W335-R343 VanDerWaalsContact NE1-CZ 3.33Å; W335-R343 PolarHBondContact O-NE 2.71Å; W335-R343 PolarHBondContact O-NH2 3.19Å; W335-L348 HydrophobicContact CH2-CB 3.82Å; W335-L348 HydrophobicContact CZ3-CB 4.21Å; W335-F350 HydrophobicContact CD2-CE2 4.38Å; W335-F350 HydrophobicContact CD2-CZ 4.27Å; W335-F350 AromaticContact CE2-CE2 3.41Å; W335-F350 VanDerWaalsContact CE2-CE2 3.41Å; W335-F350 AromaticContact CE2-CZ 3.72Å; W335-F350 HydrophobicContact CE3-CZ 4.5Å; W335-F350 HydrophobicContact CH2-CE1 4.49Å; W335-F350 AromaticContact CH2-CE2 3.81Å; W335-F350 HydrophobicContact CH2-CE2 3.81Å; W335-F350 AromaticContact CH2-CZ 3.74Å; W335-F350 HydrophobicContact CH2-CZ 3.74Å; W335-F350 AromaticContact CZ2-CD2 3.91Å; W335-F350 HydrophobicContact CZ2-CD2 3.91Å; W335-F350 AromaticContact CZ2-CE2 3.09Å; W335-F350 HydrophobicContact CZ2-CE2 3.09Å; W335-F350 AromaticContact CZ2-CZ 3.47Å; W335-F350 HydrophobicContact CZ2-CZ 3.47Å; W335-F350 VanDerWaalsContact CZ2-CZ 3.47Å; W335-F350 HydrophobicContact CZ3-CZ 4.25Å; W335-F350 AromaticContact NE1-CE2 3.62Å; W335-W357 AromaticContact CH2-CD1 3.59Å; W335-W357 HydrophobicContact CH2-CG 4.44Å; W335-W357 AromaticContact CH2-NE1 3.89Å; W335-W357 HydrophobicContact CZ3-CB 4.45Å; W335-W357 AromaticContact CZ3-CD1 3.68Å; W335-W357 HydrophobicContact CZ3-CG 4.14Å |
| 336 | E | 80.1 | Confident | 81.4 | Confident | 151 Ų | 151 | 64.9 Ų | 64.9 | 71% | 0.706 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -61.2 | -32.2 | 178.9 | -63.6 | -172.4 | 163.9 | 0 | 0 | 113.8 | S332 S333 I338 | S332-E336 PolarHBondContact O-N 3.38Å; S333-E336 WeakPolarHBondContact O-CA 3.43Å; S333-E336 WeakPolarHBondContact O-CB 3.49Å; S333-E336 PolarHBondContact O-N 3.11Å; E336-I338 PolarHBondContact O-N 2.94Å |
| 337 | E | 81 | Confident | 80.9 | Confident | 135 Ų | 135 | 64.1 Ų | 64.1 | 63% | 0.631 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -62.1 | -30.3 | 175.3 | -70.5 | -176.4 | 173.5 | 0 | 0 | 113.2 | S333 W335 N339 | S333-E337 PolarHBondContact O-N 3.45Å; W335-E337 VanDerWaalsContact C-N 3.3Å; W335-E337 PolarHBondContact O-N 3.44Å; E337-N339 PolarHBondContact O-N 3.19Å |
| 338 | I | 80.8 | Confident | 80.6 | Confident | 1 Ų | 1 | 63.3 Ų | 63.3 | 1% | 0.005 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -82 | 105.3 | 174.8 | -51.7 | -179.8 | 0 | 0 | 0 | 108.5 | V279 I283 Y328 W335 E336 A342 R343 L348 | V279-I338 HydrophobicContact CG1-CD1 4.24Å; I283-I338 HydrophobicContact CD1-CG1 4.03Å; I283-I338 HydrophobicContact CG2-CG2 4.49Å; Y328-I338 HydrophobicContact CD1-CD1 4.2Å; Y328-I338 HydrophobicContact CE1-CD1 3.8Å; W335-I338 PolarHBondContact O-N 3.45Å; W335-I338 VanDerWaalsContact O-N 3.16Å; E336-I338 PolarHBondContact O-N 2.94Å; I338-A342 HydrophobicContact CG2-CB 3.77Å; I338-R343 HydrophobicContact CB-CG 4.06Å; I338-R343 HydrophobicContact CG2-CG 3.52Å; I338-R343 VanDerWaalsContact O-CZ 3.32Å; I338-R343 PolarHBondContact O-NE 3.43Å; I338-R343 PolarHBondContact O-NH2 3.14Å; I338-L348 HydrophobicContact CD1-CD1 3.69Å; I338-L348 HydrophobicContact CG2-CD1 4.37Å |
| 339 | N | 81.8 | Confident | 80.3 | Confident | 88 Ų | 88 | 65 Ų | 65 | 47% | 0.471 | 34% | 0.336 | S | S | . | . | trans | -60.9 | 158.5 | 178.1 | 72.5 | 41.6 | 0 | 0 | 0 | 112.8 | E337 E341 A342 R343 | E337-N339 PolarHBondContact O-N 3.19Å; N339-E341 VanDerWaalsContact C-N 3.29Å; N339-E341 PolarHBondContact O-N 2.86Å; N339-E341 PolarHBondContact OD1-N 2.83Å; N339-A342 WeakPolarHBondContact O-CB 3.5Å; N339-A342 PolarHBondContact O-N 2.6Å; N339-A342 VanDerWaalsContact O-N 3.16Å; N339-A342 WeakPolarHBondContact OD1-CB 3.38Å; N339-A342 PolarHBondContact OD1-N 3.07Å; N339-R343 WeakPolarHBondContact O-CG 3.28Å; N339-R343 PolarHBondContact O-N 3.03Å | ||
| 340 | L | 80.4 | Confident | 79.6 | Confident | 108 Ų | 108 | 68.4 Ų | 68.4 | 57% | 0.565 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -60 | -36.1 | -173.5 | -173.4 | 66.9 | 0 | 0 | 0 | 113.4 | R343 K344 | L340-R343 PolarHBondContact O-N 2.96Å; L340-K344 WeakPolarHBondContact O-CG 3.28Å; L340-K344 PolarHBondContact O-N 3.07Å |
| 341 | E | 80.6 | Confident | 79.2 | Confident | 149 Ų | 149 | 67.8 Ų | 67.8 | 70% | 0.696 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -65.9 | -44.1 | 177.8 | -67.8 | -174.5 | 169.7 | 0 | 0 | 111.5 | N339 K344 R345 | N339-E341 VanDerWaalsContact C-N 3.29Å; N339-E341 PolarHBondContact O-N 2.86Å; N339-E341 PolarHBondContact OD1-N 2.83Å; E341-K344 PolarHBondContact O-N 3.48Å; E341-R345 VanDerWaalsContact O-CB 3.3Å; E341-R345 WeakPolarHBondContact O-CB 3.21Å; E341-R345 PolarHBondContact O-N 3.42Å |
| 342 | A | 81 | Confident | 78.8 | Confident | 3 Ų | 3 | 64.1 Ų | 64.1 | 3% | 0.025 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.9 | -44.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | I283 I338 N339 K344 R345 L346 | I283-A342 HydrophobicContact CB-CB 4.47Å; I283-A342 HydrophobicContact CG2-CB 3.32Å; I338-A342 HydrophobicContact CG2-CB 3.77Å; N339-A342 WeakPolarHBondContact O-CB 3.5Å; N339-A342 PolarHBondContact O-N 2.6Å; N339-A342 VanDerWaalsContact O-N 3.16Å; N339-A342 WeakPolarHBondContact OD1-CB 3.38Å; N339-A342 PolarHBondContact OD1-N 3.07Å; A342-K344 VanDerWaalsContact C-N 3.35Å; A342-K344 PolarHBondContact O-N 3.16Å; A342-R345 PolarHBondContact O-N 3.12Å; A342-L346 WeakPolarHBondContact O-CB 3.45Å; A342-L346 WeakPolarHBondContact O-CG 3.4Å; A342-L346 PolarHBondContact O-N 3.15Å |
| 343 | R | 84 | Confident | 77.9 | Confident | 48 Ų | 48 | 71 Ų | 71 | 18% | 0.181 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -58.8 | -46.8 | 176 | -67.7 | -174.9 | -160.5 | 162.1 | 5.1 | 111.3 | W335 I338 N339 L340 L346 G347 L348 | W335-R343 VanDerWaalsContact C-NH2 3.29Å; W335-R343 VanDerWaalsContact NE1-CZ 3.33Å; W335-R343 PolarHBondContact O-NE 2.71Å; W335-R343 PolarHBondContact O-NH2 3.19Å; I338-R343 HydrophobicContact CB-CG 4.06Å; I338-R343 HydrophobicContact CG2-CG 3.52Å; I338-R343 VanDerWaalsContact O-CZ 3.32Å; I338-R343 PolarHBondContact O-NE 3.43Å; I338-R343 PolarHBondContact O-NH2 3.14Å; N339-R343 WeakPolarHBondContact O-CG 3.28Å; N339-R343 PolarHBondContact O-N 3.03Å; L340-R343 PolarHBondContact O-N 2.96Å; R343-L346 PolarHBondContact O-N 3.37Å; R343-G347 CarbonylContact O-C 3.56Å; R343-G347 WeakPolarHBondContact O-CA 3.19Å; R343-G347 PolarHBondContact O-N 3.21Å; R343-L348 HydrophobicContact CB-CB 4.21Å; R343-L348 HydrophobicContact CG-CB 4.37Å; R343-L348 PolarHBondContact O-N 2.76Å |
| 344 | K | 82 | Confident | 77.6 | Confident | 143 Ų | 143 | 68.1 Ų | 68.1 | 62% | 0.622 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -61.8 | -44.1 | 176 | -73.8 | 178.8 | 179.9 | -179.3 | 0 | 111.9 | L340 E341 A342 G347 | L340-K344 WeakPolarHBondContact O-CG 3.28Å; L340-K344 PolarHBondContact O-N 3.07Å; E341-K344 PolarHBondContact O-N 3.48Å; A342-K344 VanDerWaalsContact C-N 3.35Å; A342-K344 PolarHBondContact O-N 3.16Å; K344-G347 PolarHBondContact O-N 3.43Å |
| 345 | R | 80.9 | Confident | 77.7 | Confident | 109 Ų | 109 | 65.6 Ų | 65.6 | 41% | 0.411 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -64 | -40.9 | 179.6 | -177 | 174.4 | 62.3 | 81.4 | -5.1 | 112.7 | I283 A288 E341 A342 G347 | I283-R345 PolarHBondContact O-NH2 3.22Å; A288-R345 VanDerWaalsContact CB-NH1 3.27Å; E341-R345 VanDerWaalsContact O-CB 3.3Å; E341-R345 WeakPolarHBondContact O-CB 3.21Å; E341-R345 PolarHBondContact O-N 3.42Å; A342-R345 PolarHBondContact O-N 3.12Å; R345-G347 VanDerWaalsContact C-N 3.3Å |
| 346 | L | 80.3 | Confident | 78.2 | Confident | 27 Ų | 27 | 65.1 Ų | 65.1 | 14% | 0.141 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -81.5 | -12.8 | 176.7 | -64.5 | 175 | 0 | 0 | 0 | 112.5 | R275 V279 P280 I283 A342 R343 L348 | R275-L346 PolarHBondContact NH2-O 2.81Å; V279-L346 HydrophobicContact CG1-CD1 4.24Å; P280-L346 HydrophobicContact CG-CD2 4.49Å; I283-L346 HydrophobicContact CG2-CD1 4.07Å; A342-L346 WeakPolarHBondContact O-CB 3.45Å; A342-L346 WeakPolarHBondContact O-CG 3.4Å; A342-L346 PolarHBondContact O-N 3.15Å; R343-L346 PolarHBondContact O-N 3.37Å; L346-L348 VanDerWaalsContact C-N 3.3Å; L346-L348 HydrophobicContact CB-CD1 4.2Å; L346-L348 HydrophobicContact CB-CG 4.01Å; L346-L348 HydrophobicContact CD1-CD1 4Å |
| 347 | G | 78.5 | Confident | 78.7 | Confident | 9 Ų | 9 | 57.9 Ų | 57.9 | 9% | 0.093 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 65.8 | 30.9 | -172 | 0 | 0 | 0 | 0 | 0 | 113.5 | R275 R343 K344 R345 T349 | R275-G347 VanDerWaalsContact CZ-O 3.24Å; R275-G347 PolarHBondContact NH1-O 2.88Å; R343-G347 CarbonylContact O-C 3.56Å; R343-G347 WeakPolarHBondContact O-CA 3.19Å; R343-G347 PolarHBondContact O-N 3.21Å; K344-G347 PolarHBondContact O-N 3.43Å; R345-G347 VanDerWaalsContact C-N 3.3Å; G347-T349 PolarHBondContact O-N 2.97Å |
| 348 | L | 79.3 | Confident | 79.3 | Confident | 3 Ų | 3 | 51.5 Ų | 51.5 | 2% | 0.016 | 25% | 0.249 | C | C | . | . | trans | -75 | 69.6 | 168.4 | -65.7 | 173 | 0 | 0 | 0 | 109.2 | C277 V279 L305 W335 I338 R343 L346 W357 | C277-L348 HydrophobicContact CB-CD2 3.89Å; V279-L348 HydrophobicContact CG2-CD1 4.13Å; L305-L348 HydrophobicContact CD1-CD2 4.09Å; W335-L348 HydrophobicContact CH2-CB 3.82Å; W335-L348 HydrophobicContact CZ3-CB 4.21Å; I338-L348 HydrophobicContact CD1-CD1 3.69Å; I338-L348 HydrophobicContact CG2-CD1 4.37Å; R343-L348 HydrophobicContact CB-CB 4.21Å; R343-L348 HydrophobicContact CG-CB 4.37Å; R343-L348 PolarHBondContact O-N 2.76Å; L346-L348 VanDerWaalsContact C-N 3.3Å; L346-L348 HydrophobicContact CB-CD1 4.2Å; L346-L348 HydrophobicContact CB-CG 4.01Å; L346-L348 HydrophobicContact CD1-CD1 4Å; L348-W357 HydrophobicContact CD2-CD2 3.9Å; L348-W357 HydrophobicContact CD2-CE3 4.02Å; L348-W357 HydrophobicContact CD2-CH2 3.77Å; L348-W357 HydrophobicContact CD2-CZ2 3.67Å; L348-W357 HydrophobicContact CD2-CZ3 3.95Å | ||
| 349 | T | 75.1 | Confident | 80 | Confident | 52 Ų | 52 | 51.8 Ų | 51.8 | 32% | 0.319 | 25% | 0.251 | S | S | . | . | trans | -107.9 | 147.5 | 175.6 | 56.8 | 0 | 0 | 0 | 0 | 110.1 | R307 G347 D351 W357 | R307-T349 PolarHBondContact NH1-O 2.63Å; G347-T349 PolarHBondContact O-N 2.97Å; T349-D351 PolarHBondContact OG1-OD1 3.23Å; T349-W357 PolarHBondContact O-NE1 2.79Å | ||
| 350 | F | 69.7 | Low | 80.6 | Confident | 73 Ų | 73 | 48.1 Ų | 48.1 | 32% | 0.32 | 23% | 0.232 | S | C | . | . | trans | -91.9 | 114.1 | 162.4 | -57.7 | -75.4 | 0 | 0 | 0 | 106.1 | W335 S352 E355 W357 | W335-F350 HydrophobicContact CD2-CE2 4.38Å; W335-F350 HydrophobicContact CD2-CZ 4.27Å; W335-F350 AromaticContact CE2-CE2 3.41Å; W335-F350 VanDerWaalsContact CE2-CE2 3.41Å; W335-F350 AromaticContact CE2-CZ 3.72Å; W335-F350 HydrophobicContact CE3-CZ 4.5Å; W335-F350 HydrophobicContact CH2-CE1 4.49Å; W335-F350 AromaticContact CH2-CE2 3.81Å; W335-F350 HydrophobicContact CH2-CE2 3.81Å; W335-F350 AromaticContact CH2-CZ 3.74Å; W335-F350 HydrophobicContact CH2-CZ 3.74Å; W335-F350 AromaticContact CZ2-CD2 3.91Å; W335-F350 HydrophobicContact CZ2-CD2 3.91Å; W335-F350 AromaticContact CZ2-CE2 3.09Å; W335-F350 HydrophobicContact CZ2-CE2 3.09Å; W335-F350 AromaticContact CZ2-CZ 3.47Å; W335-F350 HydrophobicContact CZ2-CZ 3.47Å; W335-F350 VanDerWaalsContact CZ2-CZ 3.47Å; W335-F350 HydrophobicContact CZ3-CZ 4.25Å; W335-F350 AromaticContact NE1-CE2 3.62Å; F350-S352 VanDerWaalsContact C-N 3.31Å; F350-E355 WeakPolarHBondContact CD1-O 3.25Å; F350-W357 AromaticContact CE1-CD1 3.59Å | ||
| 351 | D | 65.9 | Low | 81.1 | Confident | 62 Ų | 62 | 48.3 Ų | 48.3 | 33% | 0.332 | 23% | 0.23 | S | C | . | . | trans | -84.2 | -18.3 | -179.8 | -54.2 | -19.9 | 0 | 0 | 0 | 109.7 | Y70 R307 T349 E355 | Y70-D351 HydrophobicContact CE1-CB 4.22Å; Y70-D351 WeakPolarHBondContact CE1-O 3.49Å; Y70-D351 VanDerWaalsContact CZ-O 3.26Å; Y70-D351 PolarHBondContact OH-O 3.4Å; R307-D351 IonicContact CZ-OD2 3.07Å; R307-D351 IonicContact NH1-OD1 3.87Å; R307-D351 PolarHBondContact NH1-OD1 2.93Å; R307-D351 IonicContact NH1-OD2 2.76Å; R307-D351 PolarHBondContact NH1-OD2 3.06Å; R307-D351 IonicContact NH2-OD2 3.29Å; R307-D351 PolarHBondContact NH2-OD2 3.37Å; T349-D351 PolarHBondContact OG1-OD1 3.23Å; D351-E355 WeakPolarHBondContact CB-OE2 3.35Å; D351-E355 PolarHBondContact N-OE2 2.94Å | ||
| 352 | S | 65.8 | Low | 81.7 | Confident | 25 Ų | 25 | 43.4 Ų | 43.4 | 18% | 0.175 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -151 | 164.5 | 174 | 73.7 | 0 | 0 | 0 | 0 | 112.9 | F350 T354 E355 | F350-S352 VanDerWaalsContact C-N 3.31Å; S352-T354 PolarHBondContact O-N 3.06Å; S352-T354 PolarHBondContact OG-N 2.78Å; S352-T354 PolarHBondContact OG-OG1 3.38Å; S352-E355 PolarHBondContact O-N 3.11Å |
| 353 | E | 65.9 | Low | 82.3 | Confident | 155 Ų | 155 | 43.3 Ų | 43.3 | 72% | 0.724 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | 11.3 | 169.8 | -58.4 | 179 | 171.3 | 0 | 0 | 113.9 | ||
| 354 | T | 74.7 | Confident | 82.7 | Confident | 15 Ų | 15 | 41 Ų | 41 | 9% | 0.092 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -121.6 | 1.6 | 176.7 | 64.2 | 0 | 0 | 0 | 0 | 112.1 | R309 C310 S352 | R309-T354 CarbonylContact C-O 3.45Å; R309-T354 WeakPolarHBondContact CA-O 3.34Å; R309-T354 PolarHBondContact NH2-OG1 3.37Å; C310-T354 PolarHBondContact N-O 2.85Å; S352-T354 PolarHBondContact O-N 3.06Å; S352-T354 PolarHBondContact OG-N 2.78Å; S352-T354 PolarHBondContact OG-OG1 3.38Å |
| 355 | E | 85.2 | Confident | 83.1 | Confident | 7 Ų | 7 | 37.7 Ų | 37.7 | 3% | 0.033 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 141 | 178.5 | -70.8 | -169.8 | 145.6 | 0 | 0 | 110.8 | T274 R307 L308 R309 F350 D351 S352 | T274-E355 WeakPolarHBondContact CB-OE1 3.23Å; T274-E355 WeakPolarHBondContact CG2-OE1 3.17Å; T274-E355 PolarHBondContact OG1-OE1 3.33Å; R307-E355 HydrophobicContact CG-CB 4.3Å; R307-E355 IonicContact CZ-OE1 3.36Å; R307-E355 IonicContact CZ-OE2 4Å; R307-E355 VanDerWaalsContact CZ-OE2 3.31Å; R307-E355 IonicContact NE-OE1 2.87Å; R307-E355 IonicContact NE-OE2 2.64Å; R307-E355 PolarHBondContact NE-OE2 3.03Å; R307-E355 IonicContact NH1-OE2 3.72Å; R307-E355 IonicContact NH2-OE1 2.53Å; R307-E355 IonicContact NH2-OE2 3.46Å; L308-E355 CarbonylContact O-C 3.03Å; L308-E355 VanDerWaalsContact O-CA 3.27Å; L308-E355 WeakPolarHBondContact O-CA 3.16Å; R309-E355 HydrophobicContact CB-CG 3.97Å; R309-E355 HydrophobicContact CG-CG 4.16Å; F350-E355 WeakPolarHBondContact CD1-O 3.25Å; D351-E355 WeakPolarHBondContact CB-OE2 3.35Å; D351-E355 PolarHBondContact N-OE2 2.94Å; S352-E355 PolarHBondContact O-N 3.11Å |
| 356 | F | 88.8 | Confident | 83.6 | Confident | 4 Ų | 4 | 34.5 Ų | 34.5 | 2% | 0.018 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 155.5 | 176.7 | 57.7 | -90.5 | 0 | 0 | 0 | 111 | L265 Y271 R307 L308 E323 W324 I358 | L265-F356 HydrophobicContact CD2-CE2 3.82Å; L265-F356 HydrophobicContact CD2-CZ 3.58Å; Y271-F356 HydrophobicContact CD1-CE1 4.01Å; Y271-F356 AromaticContact CD1-CZ 3.81Å; Y271-F356 HydrophobicContact CD1-CZ 3.81Å; Y271-F356 AromaticContact CE1-CE1 3.87Å; Y271-F356 HydrophobicContact CE1-CE1 3.87Å; Y271-F356 AromaticContact CE1-CZ 3.75Å; Y271-F356 HydrophobicContact CE1-CZ 3.75Å; R307-F356 CarbonylContact C-O 3.19Å; R307-F356 WeakPolarHBondContact CA-O 3.42Å; L308-F356 HydrophobicContact CB-CD2 4.45Å; L308-F356 HydrophobicContact CB-CE1 4.36Å; L308-F356 HydrophobicContact CB-CE2 3.87Å; L308-F356 HydrophobicContact CB-CZ 3.82Å; L308-F356 HydrophobicContact CD1-CE2 4.26Å; L308-F356 HydrophobicContact CD1-CZ 4.37Å; L308-F356 HydrophobicContact CG-CE2 4.5Å; L308-F356 PolarHBondContact N-O 3.26Å; L308-F356 PolarHBondContact O-N 3.27Å; E323-F356 HydrophobicContact CB-CB 4.46Å; E323-F356 HydrophobicContact CB-CD1 3.82Å; E323-F356 HydrophobicContact CB-CE1 4.3Å; E323-F356 HydrophobicContact CB-CG 4.19Å; E323-F356 HydrophobicContact CG-CD1 3.78Å; E323-F356 HydrophobicContact CG-CE1 4.3Å; W324-F356 HydrophobicContact CB-CD2 3.38Å; W324-F356 HydrophobicContact CB-CE2 3.6Å; W324-F356 HydrophobicContact CB-CG 4.27Å; F356-I358 HydrophobicContact CD2-CB 4.46Å; F356-I358 HydrophobicContact CE2-CB 4.43Å; F356-I358 HydrophobicContact CE2-CG2 4.32Å |
| 357 | W | 91.6 | Very high | 84.1 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 137.9 | 174.3 | -68.5 | 95.1 | 0 | 0 | 0 | 109.9 | R275 C277 L305 R307 W335 L348 T349 F350 | R275-W357 HydrophobicContact CB-CH2 4.04Å; R275-W357 HydrophobicContact CG-CH2 3.91Å; C277-W357 HydrophobicContact CB-CH2 3.83Å; C277-W357 HydrophobicContact CB-CZ3 3.67Å; L305-W357 HydrophobicContact CB-CE3 3.67Å; L305-W357 HydrophobicContact CB-CZ3 4.17Å; R307-W357 HydrophobicContact CB-CD2 3.84Å; R307-W357 HydrophobicContact CB-CE3 3.7Å; R307-W357 HydrophobicContact CB-CH2 3.83Å; R307-W357 HydrophobicContact CB-CZ2 3.91Å; R307-W357 HydrophobicContact CB-CZ3 3.71Å; R307-W357 HydrophobicContact CG-CD2 4.12Å; R307-W357 HydrophobicContact CG-CE3 4.48Å; R307-W357 HydrophobicContact CG-CZ2 4.2Å; W335-W357 AromaticContact CH2-CD1 3.59Å; W335-W357 HydrophobicContact CH2-CG 4.44Å; W335-W357 AromaticContact CH2-NE1 3.89Å; W335-W357 HydrophobicContact CZ3-CB 4.45Å; W335-W357 AromaticContact CZ3-CD1 3.68Å; W335-W357 HydrophobicContact CZ3-CG 4.14Å; L348-W357 HydrophobicContact CD2-CD2 3.9Å; L348-W357 HydrophobicContact CD2-CE3 4.02Å; L348-W357 HydrophobicContact CD2-CH2 3.77Å; L348-W357 HydrophobicContact CD2-CZ2 3.67Å; L348-W357 HydrophobicContact CD2-CZ3 3.95Å; T349-W357 PolarHBondContact O-NE1 2.79Å; F350-W357 AromaticContact CE1-CD1 3.59Å |
| 358 | I | 93.6 | Very high | 84.7 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 136 | 176.9 | -178.9 | 168.9 | 0 | 0 | 0 | 109.6 | L265 M306 L308 W324 F356 F362 I363 | L265-I358 HydrophobicContact CD1-CD1 4.17Å; M306-I358 HydrophobicContact CB-CG2 4.49Å; M306-I358 PolarHBondContact N-O 2.91Å; M306-I358 WeakPolarHBondContact O-CG2 3.35Å; M306-I358 PolarHBondContact O-N 2.82Å; L308-I358 HydrophobicContact CD1-CG2 3.9Å; L308-I358 HydrophobicContact CG-CG2 3.89Å; W324-I358 HydrophobicContact CB-CB 4.27Å; W324-I358 HydrophobicContact CB-CD1 4.34Å; W324-I358 HydrophobicContact CD2-CD1 3.75Å; W324-I358 HydrophobicContact CD2-CG1 3.91Å; W324-I358 HydrophobicContact CE3-CD1 3.76Å; W324-I358 HydrophobicContact CE3-CG1 4.4Å; W324-I358 HydrophobicContact CG-CB 4.05Å; W324-I358 HydrophobicContact CG-CD1 4.02Å; W324-I358 HydrophobicContact CG-CG1 3.95Å; W324-I358 HydrophobicContact CZ3-CD1 4.33Å; F356-I358 HydrophobicContact CD2-CB 4.46Å; F356-I358 HydrophobicContact CE2-CB 4.43Å; F356-I358 HydrophobicContact CE2-CG2 4.32Å; I358-F362 HydrophobicContact CD1-CB 3.98Å; I358-F362 HydrophobicContact CG1-CB 3.9Å; I358-I363 HydrophobicContact CD1-CD1 4.17Å; I358-I363 HydrophobicContact CD1-CG1 4.42Å; I358-I363 HydrophobicContact CG1-CD1 4.42Å; I358-I363 HydrophobicContact CG1-CG1 4.3Å; I358-I363 HydrophobicContact CG2-CD1 3.43Å; I358-I363 VanDerWaalsContact CG2-CD1 3.43Å; I358-I363 HydrophobicContact CG2-CG1 3.77Å |
| 359 | P | 94.5 | Very high | 85.3 | Confident | 7 Ų | 7 | 33 Ų | 33 | 5% | 0.045 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 148.7 | 174.8 | -21.3 | 31.7 | 0 | 0 | 0 | 113.4 | R304 L305 A327 Y328 E361 F362 I363 | R304-P359 CarbonylContact O-C 3.57Å; R304-P359 WeakPolarHBondContact O-CA 3.46Å; L305-P359 HydrophobicContact CD2-CB 4.13Å; L305-P359 HydrophobicContact CD2-CG 3.88Å; A327-P359 HydrophobicContact CB-CG 4.49Å; A327-P359 WeakPolarHBondContact O-CD 3.37Å; Y328-P359 HydrophobicContact CD2-CG 3.81Å; Y328-P359 HydrophobicContact CE2-CG 4.47Å; P359-E361 VanDerWaalsContact C-N 3.25Å; P359-E361 HydrophobicContact CB-CG 4.23Å; P359-E361 PolarHBondContact O-N 3.25Å; P359-F362 HydrophobicContact CB-CD2 3.8Å; P359-F362 HydrophobicContact CB-CE2 4.36Å; P359-F362 HydrophobicContact CG-CD2 3.73Å; P359-F362 HydrophobicContact CG-CE2 4.11Å; P359-F362 PolarHBondContact O-N 2.81Å; P359-F362 VanDerWaalsContact O-N 3.1Å; P359-I363 PolarHBondContact O-N 3.27Å; P359-I363 VanDerWaalsContact O-N 3.09Å |
| 360 | L | 94.6 | Very high | 86.1 | Confident | 12 Ų | 12 | 30.6 Ų | 30.6 | 6% | 0.063 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -54.4 | -39.7 | 179.2 | 175 | 64.8 | 0 | 0 | 0 | 112.7 | Q210 F213 F214 R304 M306 F362 I363 L364 | Q210-L360 HydrophobicContact CB-CD2 4.32Å; F213-L360 HydrophobicContact CD1-CD1 4.17Å; F213-L360 HydrophobicContact CE1-CD1 4.44Å; F214-L360 HydrophobicContact CB-CD1 4.48Å; F214-L360 HydrophobicContact CB-CD2 3.88Å; F214-L360 HydrophobicContact CD2-CB 4.48Å; F214-L360 HydrophobicContact CD2-CD1 4.38Å; F214-L360 HydrophobicContact CD2-CD2 4.28Å; F214-L360 HydrophobicContact CG-CD2 4.41Å; R304-L360 HydrophobicContact CB-CB 4.03Å; R304-L360 HydrophobicContact CB-CD2 4.35Å; R304-L360 PolarHBondContact O-N 3.33Å; M306-L360 HydrophobicContact SD-CD1 3.91Å; L360-F362 VanDerWaalsContact C-N 3.28Å; L360-F362 PolarHBondContact O-N 2.96Å; L360-I363 WeakPolarHBondContact O-CB 3.49Å; L360-I363 PolarHBondContact O-N 2.79Å; L360-L364 HydrophobicContact CD1-CD1 4.26Å; L360-L364 HydrophobicContact CD1-CD2 4.44Å; L360-L364 HydrophobicContact CD1-CG 4.1Å; L360-L364 HydrophobicContact CG-CD1 4.2Å; L360-L364 HydrophobicContact CG-CG 4.4Å; L360-L364 WeakPolarHBondContact O-CG 3.4Å; L360-L364 PolarHBondContact O-N 3.11Å |
| 361 | E | 92 | Very high | 87.3 | Confident | 111 Ų | 111 | 27.1 Ų | 27.1 | 52% | 0.519 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -59.3 | -40.7 | 180 | 69 | -170.2 | 161.2 | 0 | 0 | 111.9 | P359 L364 Q365 | P359-E361 VanDerWaalsContact C-N 3.25Å; P359-E361 HydrophobicContact CB-CG 4.23Å; P359-E361 PolarHBondContact O-N 3.25Å; E361-L364 PolarHBondContact O-N 2.89Å; E361-Q365 WeakPolarHBondContact O-CB 3.41Å; E361-Q365 PolarHBondContact O-N 3.38Å |
| 362 | F | 92.8 | Very high | 88.6 | Confident | 47 Ų | 47 | 24.1 Ų | 24.1 | 21% | 0.206 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -77.4 | -30.2 | 179.2 | -64.4 | -66.2 | 0 | 0 | 0 | 112.2 | W324 I358 P359 L360 Q365 H366 | W324-F362 HydrophobicContact CH2-CB 3.8Å; W324-F362 AromaticContact CH2-CD1 3.51Å; W324-F362 HydrophobicContact CH2-CD1 3.51Å; W324-F362 HydrophobicContact CH2-CD2 4.08Å; W324-F362 HydrophobicContact CH2-CE1 4.08Å; W324-F362 AromaticContact CH2-CG 3.51Å; W324-F362 HydrophobicContact CH2-CG 3.51Å; W324-F362 HydrophobicContact CZ2-CB 3.92Å; W324-F362 AromaticContact CZ2-CD1 3.84Å; W324-F362 HydrophobicContact CZ2-CD1 3.84Å; W324-F362 AromaticContact CZ2-CD2 3.55Å; W324-F362 HydrophobicContact CZ2-CD2 3.55Å; W324-F362 HydrophobicContact CZ2-CE1 4.24Å; W324-F362 AromaticContact CZ2-CE2 3.99Å; W324-F362 HydrophobicContact CZ2-CE2 3.99Å; W324-F362 AromaticContact CZ2-CG 3.48Å; W324-F362 HydrophobicContact CZ2-CG 3.48Å; W324-F362 VanDerWaalsContact CZ2-CG 3.48Å; W324-F362 HydrophobicContact CZ2-CZ 4.32Å; W324-F362 HydrophobicContact CZ3-CB 4.34Å; W324-F362 HydrophobicContact CZ3-CG 4.49Å; I358-F362 HydrophobicContact CD1-CB 3.98Å; I358-F362 HydrophobicContact CG1-CB 3.9Å; P359-F362 HydrophobicContact CB-CD2 3.8Å; P359-F362 HydrophobicContact CB-CE2 4.36Å; P359-F362 HydrophobicContact CG-CD2 3.73Å; P359-F362 HydrophobicContact CG-CE2 4.11Å; P359-F362 PolarHBondContact O-N 2.81Å; P359-F362 VanDerWaalsContact O-N 3.1Å; L360-F362 VanDerWaalsContact C-N 3.28Å; L360-F362 PolarHBondContact O-N 2.96Å; F362-Q365 PolarHBondContact O-N 3.21Å; F362-H366 WeakPolarHBondContact O-CB 3.37Å; F362-H366 PolarHBondContact O-CD2 3.36Å; F362-H366 PolarHBondContact O-N 3.08Å |
| 363 | I | 93.6 | Very high | 90 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -57.3 | -53.4 | 166.4 | -70.7 | -71.1 | 0 | 0 | 0 | 109.8 | F229 M306 L308 I358 P359 L360 Q365 H366 M367 | F229-I363 HydrophobicContact CD1-CG2 3.81Å; F229-I363 HydrophobicContact CE1-CG2 3.58Å; F229-I363 HydrophobicContact CZ-CG2 4.32Å; M306-I363 HydrophobicContact CB-CG1 4.35Å; M306-I363 HydrophobicContact CG-CG1 4.5Å; M306-I363 HydrophobicContact SD-CB 4.37Å; M306-I363 HydrophobicContact SD-CG1 3.96Å; M306-I363 HydrophobicContact SD-CG2 4.19Å; L308-I363 HydrophobicContact CD1-CD1 3.47Å; L308-I363 VanDerWaalsContact CD1-CD1 3.47Å; L308-I363 HydrophobicContact CD2-CD1 4.43Å; L308-I363 HydrophobicContact CG-CD1 4.1Å; I358-I363 HydrophobicContact CD1-CD1 4.17Å; I358-I363 HydrophobicContact CD1-CG1 4.42Å; I358-I363 HydrophobicContact CG1-CD1 4.42Å; I358-I363 HydrophobicContact CG1-CG1 4.3Å; I358-I363 HydrophobicContact CG2-CD1 3.43Å; I358-I363 VanDerWaalsContact CG2-CD1 3.43Å; I358-I363 HydrophobicContact CG2-CG1 3.77Å; P359-I363 PolarHBondContact O-N 3.27Å; P359-I363 VanDerWaalsContact O-N 3.09Å; L360-I363 WeakPolarHBondContact O-CB 3.49Å; L360-I363 PolarHBondContact O-N 2.79Å; I363-Q365 PolarHBondContact O-N 3.15Å; I363-H366 PolarHBondContact O-N 3.31Å; I363-M367 HydrophobicContact CD1-CE 3.91Å; I363-M367 HydrophobicContact CD1-CG 4.25Å; I363-M367 HydrophobicContact CG2-CB 4.48Å; I363-M367 HydrophobicContact CG2-CG 3.99Å; I363-M367 WeakPolarHBondContact O-CA 3.3Å; I363-M367 WeakPolarHBondContact O-CB 3.5Å; I363-M367 WeakPolarHBondContact O-CG 3.42Å; I363-M367 PolarHBondContact O-N 3.39Å |
| 364 | L | 92.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -65.4 | -31.1 | -178.5 | -63 | -180 | 0 | 0 | 0 | 112.3 | L199 L202 Y203 Q210 F213 L360 E361 | L199-L364 HydrophobicContact CD2-CD2 4.14Å; L202-L364 HydrophobicContact CB-CD2 4.25Å; L202-L364 HydrophobicContact CD2-CD2 3.57Å; L202-L364 HydrophobicContact CG-CD1 4.3Å; L202-L364 HydrophobicContact CG-CD2 3.93Å; Y203-L364 HydrophobicContact CD2-CB 3.81Å; Y203-L364 HydrophobicContact CG-CB 4.45Å; Q210-L364 HydrophobicContact CB-CD1 3.93Å; Q210-L364 HydrophobicContact CG-CD1 3.6Å; F213-L364 HydrophobicContact CD1-CD2 4.37Å; F213-L364 HydrophobicContact CE1-CD2 4.35Å; L360-L364 HydrophobicContact CD1-CD1 4.26Å; L360-L364 HydrophobicContact CD1-CD2 4.44Å; L360-L364 HydrophobicContact CD1-CG 4.1Å; L360-L364 HydrophobicContact CG-CD1 4.2Å; L360-L364 HydrophobicContact CG-CG 4.4Å; L360-L364 WeakPolarHBondContact O-CG 3.4Å; L360-L364 PolarHBondContact O-N 3.11Å; E361-L364 PolarHBondContact O-N 2.89Å |
| 365 | Q | 90.3 | Very high | 92.2 | Very high | 73 Ų | 73 | 17 Ų | 17 | 34% | 0.341 | 8% | 0.079 | S | C | . | . | H | α-helix | trans | -71.6 | -45.5 | 176.7 | -173.4 | 178.5 | -6.3 | 0 | 0 | 112.8 | Y203 K232 E361 F362 I363 | Y203-Q365 HydrophobicContact CD2-CB 4.16Å; Y203-Q365 HydrophobicContact CE2-CB 3.75Å; Y203-Q365 HydrophobicContact CE2-CG 4.27Å; K232-Q365 VanDerWaalsContact CE-O 3.26Å; K232-Q365 WeakPolarHBondContact CE-O 3.5Å; K232-Q365 PolarHBondContact NZ-O 3.43Å; E361-Q365 WeakPolarHBondContact O-CB 3.41Å; E361-Q365 PolarHBondContact O-N 3.38Å; F362-Q365 PolarHBondContact O-N 3.21Å; I363-Q365 PolarHBondContact O-N 3.15Å |
| 366 | H | 90.5 | Very high | 92.4 | Very high | 42 Ų | 42 | 17.8 Ų | 17.8 | 19% | 0.194 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -99.6 | -17.8 | -170.8 | -65.6 | -68.6 | 0 | 0 | 0 | 114.4 | K232 L265 W324 F362 I363 | K232-H366 WeakPolarHBondContact CG-O 3.29Å; K232-H366 PolarHBondContact N-O 3.35Å; L265-H366 HydrophobicContact CD1-CB 4.29Å; W324-H366 AromaticContact CZ3-CD2 3.87Å; W324-H366 AromaticContact CZ3-NE2 3.77Å; F362-H366 WeakPolarHBondContact O-CB 3.37Å; F362-H366 PolarHBondContact O-CD2 3.36Å; F362-H366 PolarHBondContact O-N 3.08Å; I363-H366 PolarHBondContact O-N 3.31Å |
| 367 | M | 91.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 136.1 | 179.5 | -55.7 | -62.1 | 173.2 | 0 | 0 | 111.1 | L199 F229 C230 T231 K232 L265 Y271 L308 I363 | L199-M367 HydrophobicContact CD1-CB 3.74Å; F229-M367 HydrophobicContact CB-CE 4.26Å; F229-M367 HydrophobicContact CB-CG 4.08Å; F229-M367 HydrophobicContact CB-SD 3.84Å; F229-M367 HydrophobicContact CD1-CB 4.19Å; F229-M367 HydrophobicContact CD1-CG 3.96Å; F229-M367 HydrophobicContact CG-CG 4.4Å; C230-M367 CarbonylContact O-C 3.39Å; C230-M367 WeakPolarHBondContact O-CA 3.3Å; T231-M367 HydrophobicContact CG2-CE 3.82Å; T231-M367 HydrophobicContact CG2-SD 3.43Å; T231-M367 WeakPolarHBondContact CG2-SD 3.41Å; K232-M367 WeakPolarHBondContact CE-O 3.12Å; L265-M367 HydrophobicContact CD1-CE 4.1Å; Y271-M367 HydrophobicContact CD2-CE 4.22Å; L308-M367 HydrophobicContact CD1-CE 3.62Å; I363-M367 HydrophobicContact CD1-CE 3.91Å; I363-M367 HydrophobicContact CD1-CG 4.25Å; I363-M367 HydrophobicContact CG2-CB 4.48Å; I363-M367 HydrophobicContact CG2-CG 3.99Å; I363-M367 WeakPolarHBondContact O-CA 3.3Å; I363-M367 WeakPolarHBondContact O-CB 3.5Å; I363-M367 WeakPolarHBondContact O-CG 3.42Å; I363-M367 PolarHBondContact O-N 3.39Å |
| 368 | S | 89.9 | Confident | 91.8 | Very high | 9 Ų | 9 | 23.7 Ų | 23.7 | 6% | 0.063 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | -40.8 | 177.5 | 64.4 | 0 | 0 | 0 | 0 | 109.9 | L199 C230 T231 F249 | L199-S368 PolarHBondContact N-O 3.17Å; C230-S368 PolarHBondContact O-N 2.97Å; C230-S368 PolarHBondContact O-OG 2.84Å; T231-S368 PolarHBondContact O-OG 3.04Å; F249-S368 WeakPolarHBondContact CD1-OG 3.12Å; F249-S368 VanDerWaalsContact CE1-CB 3.42Å; F249-S368 WeakPolarHBondContact CE1-O 3.27Å; F249-S368 WeakPolarHBondContact CE1-OG 3.48Å; F249-S368 WeakPolarHBondContact CZ-O 3.47Å |
| 369 | G | 91.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.8 | 177.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | I197 C230 F249 | I197-G369 CarbonylContact O-C 3.49Å; I197-G369 WeakPolarHBondContact O-CA 3.06Å; C230-G369 PolarHBondContact N-O 3.38Å; C230-G369 PolarHBondContact O-N 3.02Å; F249-G369 VanDerWaalsContact CE1-N 3.31Å |
| 370 | V | 93.5 | Very high | 90.1 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 133.9 | 172.8 | 61.3 | 0 | 0 | 0 | 0 | 110.2 | I197 L199 F213 M217 V227 I228 F229 I372 | I197-V370 HydrophobicContact CB-CG1 3.76Å; I197-V370 HydrophobicContact CD1-CG1 4.4Å; I197-V370 HydrophobicContact CG1-CG1 4.4Å; I197-V370 HydrophobicContact CG2-CG1 4.47Å; I197-V370 PolarHBondContact N-O 3.4Å; I197-V370 PolarHBondContact O-N 2.9Å; L199-V370 HydrophobicContact CD2-CG1 4.44Å; F213-V370 HydrophobicContact CE2-CG1 4.05Å; F213-V370 HydrophobicContact CZ-CG1 4.05Å; M217-V370 HydrophobicContact SD-CG2 4.44Å; V227-V370 HydrophobicContact CG1-CG2 3.56Å; I228-V370 CarbonylContact O-C 3.48Å; I228-V370 WeakPolarHBondContact O-CA 3.42Å; I228-V370 WeakPolarHBondContact O-CG2 3.36Å; F229-V370 HydrophobicContact CD1-CB 3.99Å; F229-V370 HydrophobicContact CD1-CG2 4.21Å; F229-V370 HydrophobicContact CD2-CG2 4.2Å; F229-V370 HydrophobicContact CE1-CB 3.88Å; F229-V370 HydrophobicContact CE1-CG2 4.05Å; F229-V370 HydrophobicContact CE2-CG2 4.02Å; F229-V370 HydrophobicContact CG-CB 4.47Å; F229-V370 HydrophobicContact CG-CG2 4.28Å; F229-V370 HydrophobicContact CZ-CB 4.25Å; F229-V370 HydrophobicContact CZ-CG2 3.93Å; V370-I372 HydrophobicContact CG1-CD1 4.43Å; V370-I372 HydrophobicContact CG2-CG1 4.03Å |
| 371 | L | 93.6 | Very high | 89 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 129.9 | 170.8 | -177.3 | 145.7 | 0 | 0 | 0 | 109.6 | L182 E183 M186 E195 I228 | L182-L371 HydrophobicContact CB-CD1 4.08Å; L182-L371 HydrophobicContact CD2-CB 4.41Å; L182-L371 HydrophobicContact CD2-CD1 4Å; L182-L371 HydrophobicContact CD2-CD2 4.33Å; L182-L371 HydrophobicContact CD2-CG 4.5Å; L182-L371 HydrophobicContact CG-CD1 3.93Å; L182-L371 HydrophobicContact CG-CD2 4.33Å; E183-L371 HydrophobicContact CB-CD1 4.1Å; E183-L371 HydrophobicContact CG-CD1 3.32Å; M186-L371 HydrophobicContact CG-CD2 4.21Å; E195-L371 CarbonylContact O-C 3.52Å; E195-L371 WeakPolarHBondContact O-CA 3.42Å; I228-L371 HydrophobicContact CD1-CD2 4.4Å; I228-L371 PolarHBondContact N-O 3.2Å; I228-L371 PolarHBondContact O-N 2.92Å |
| 372 | I | 94.2 | Very high | 87.9 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 115.3 | -176.9 | -51.4 | 175.7 | 0 | 0 | 0 | 108.6 | T194 E195 I197 M217 D220 C225 I226 V227 V370 R374 | T194-I372 WeakPolarHBondContact CA-O 3.33Å; E195-I372 HydrophobicContact CB-CB 4.4Å; E195-I372 PolarHBondContact N-O 3.07Å; E195-I372 PolarHBondContact O-N 3.44Å; I197-I372 HydrophobicContact CD1-CD1 3.67Å; M217-I372 HydrophobicContact CE-CD1 3.72Å; M217-I372 HydrophobicContact SD-CD1 4.36Å; D220-I372 WeakPolarHBondContact OD2-CD1 3.29Å; C225-I372 HydrophobicContact CB-CG2 3.98Å; I226-I372 CarbonylContact O-C 3.59Å; I226-I372 WeakPolarHBondContact O-CA 3.46Å; V227-I372 HydrophobicContact CG1-CG1 4.45Å; V227-I372 HydrophobicContact CG2-CG1 4.5Å; V227-I372 HydrophobicContact CG2-CG2 4.19Å; V370-I372 HydrophobicContact CG1-CD1 4.43Å; V370-I372 HydrophobicContact CG2-CG1 4.03Å; I372-R374 HydrophobicContact CG2-CG 3.87Å |
| 373 | C | 95.4 | Very high | 86.7 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 110.1 | 170.4 | -171.9 | 0 | 0 | 0 | 0 | 109.2 | M186 T190 T194 C225 I226 F375 | M186-C373 HydrophobicContact CB-CB 4.38Å; M186-C373 HydrophobicContact CE-CB 3.81Å; T190-C373 PolarHBondContact OG1-SG 3.45Å; T190-C373 VanDerWaalsContact OG1-SG 3.38Å; T194-C373 HydrophobicContact CG2-CB 4.06Å; C225-C373 WeakPolarHBondContact CA-O 3.43Å; C225-C373 WeakPolarHBondContact CB-O 3.45Å; I226-C373 HydrophobicContact CB-CB 4.19Å; I226-C373 PolarHBondContact N-O 2.85Å; I226-C373 PolarHBondContact O-N 3.06Å; C373-F375 HydrophobicContact CB-CZ 4.44Å |
| 374 | R | 94.1 | Very high | 85.4 | Confident | 16 Ų | 16 | 44.4 Ų | 44.4 | 6% | 0.06 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 153.9 | -177.3 | -59 | -174.9 | 176.1 | -71.1 | -13.1 | 111.7 | G192 V193 E195 D220 I372 | G192-R374 WeakPolarHBondContact CA-O 3.31Å; V193-R374 PolarHBondContact N-O 2.86Å; V193-R374 PolarHBondContact O-N 3.39Å; E195-R374 IonicContact OE2-CZ 3.62Å; E195-R374 IonicContact OE2-NE 3.71Å; E195-R374 PolarHBondContact OE2-NE 3.47Å; E195-R374 IonicContact OE2-NH2 3.63Å; E195-R374 PolarHBondContact OE2-NH2 3.39Å; D220-R374 VanDerWaalsContact CG-NH1 3.32Å; D220-R374 IonicContact OD1-CZ 2.87Å; D220-R374 IonicContact OD1-NH1 3.75Å; D220-R374 PolarHBondContact OD1-NH1 3.08Å; D220-R374 IonicContact OD1-NH2 3.69Å; D220-R374 PolarHBondContact OD1-NH2 2.85Å; D220-R374 IonicContact OD2-CZ 2.73Å; D220-R374 IonicContact OD2-NH1 2.78Å; D220-R374 IonicContact OD2-NH2 2.86Å; D220-R374 PolarHBondContact OD2-NH2 3.42Å; I372-R374 HydrophobicContact CG2-CG 3.87Å |
| 375 | F | 91.7 | Very high | 84.1 | Confident | 29 Ų | 29 | 48.6 Ų | 48.6 | 13% | 0.127 | 30% | 0.295 | C | S | . | . | trans | -130.7 | 73.4 | -180 | -52.3 | -64.7 | 0 | 0 | 0 | 112.2 | Y96 T190 E224 I226 C373 D377 | Y96-F375 HydrophobicContact CD1-CD1 4.47Å; Y96-F375 HydrophobicContact CD1-CE1 4.33Å; Y96-F375 HydrophobicContact CD2-CD1 4.31Å; Y96-F375 HydrophobicContact CD2-CD2 4.41Å; Y96-F375 AromaticContact CD2-CE1 3.97Å; Y96-F375 HydrophobicContact CD2-CE1 3.97Å; Y96-F375 HydrophobicContact CD2-CE2 4.06Å; Y96-F375 AromaticContact CD2-CZ 3.82Å; Y96-F375 HydrophobicContact CD2-CZ 3.82Å; Y96-F375 AromaticContact CE1-CD1 3.75Å; Y96-F375 HydrophobicContact CE1-CD1 3.75Å; Y96-F375 HydrophobicContact CE1-CE1 4.05Å; Y96-F375 HydrophobicContact CE1-CG 4.3Å; Y96-F375 HydrophobicContact CE2-CB 4.3Å; Y96-F375 AromaticContact CE2-CD1 3.56Å; Y96-F375 HydrophobicContact CE2-CD1 3.56Å; Y96-F375 AromaticContact CE2-CD2 3.51Å; Y96-F375 HydrophobicContact CE2-CD2 3.51Å; Y96-F375 AromaticContact CE2-CE1 3.66Å; Y96-F375 HydrophobicContact CE2-CE1 3.66Å; Y96-F375 AromaticContact CE2-CE2 3.59Å; Y96-F375 HydrophobicContact CE2-CE2 3.59Å; Y96-F375 AromaticContact CE2-CG 3.49Å; Y96-F375 HydrophobicContact CE2-CG 3.49Å; Y96-F375 VanDerWaalsContact CE2-CG 3.49Å; Y96-F375 AromaticContact CE2-CZ 3.67Å; Y96-F375 HydrophobicContact CE2-CZ 3.67Å; Y96-F375 HydrophobicContact CG-CE1 4.33Å; Y96-F375 HydrophobicContact CG-CZ 4.5Å; Y96-F375 AromaticContact CZ-CD1 3.27Å; Y96-F375 AromaticContact CZ-CD2 3.93Å; Y96-F375 AromaticContact CZ-CE1 3.75Å; Y96-F375 AromaticContact CZ-CG 3.38Å; Y96-F375 WeakPolarHBondContact OH-CB 3.36Å; Y96-F375 WeakPolarHBondContact OH-CD1 3.37Å; Y96-F375 WeakPolarHBondContact OH-CG 3.23Å; T190-F375 HydrophobicContact CG2-CE1 4.2Å; T190-F375 HydrophobicContact CG2-CZ 4.27Å; E224-F375 WeakPolarHBondContact O-CD2 3.44Å; E224-F375 WeakPolarHBondContact O-CE2 3.36Å; I226-F375 HydrophobicContact CD1-CE2 4.29Å; I226-F375 HydrophobicContact CD1-CZ 3.89Å; I226-F375 HydrophobicContact CG1-CE2 4.12Å; I226-F375 HydrophobicContact CG1-CZ 4.18Å; C373-F375 HydrophobicContact CB-CZ 4.44Å; F375-D377 PolarHBondContact O-N 3.47Å | ||
| 376 | P | 89.2 | Confident | 83.1 | Confident | 23 Ų | 23 | 50.5 Ų | 50.5 | 15% | 0.149 | 30% | 0.304 | C | S | . | . | trans | -55.4 | 126.2 | 179.2 | -21.9 | 32.4 | 0 | 0 | 0 | 110.9 | V193 T378 W389 L431 Y522 | V193-P376 HydrophobicContact CG2-CG 4.4Å; P376-T378 PolarHBondContact O-N 3.27Å; P376-W389 HydrophobicContact CB-CB 4.38Å; P376-W389 HydrophobicContact CB-CD2 4.36Å; P376-W389 HydrophobicContact CB-CG 3.89Å; P376-L431 HydrophobicContact CG-CD2 3.62Å; P376-Y522 HydrophobicContact CB-CD1 3.43Å; P376-Y522 VanDerWaalsContact CB-CD1 3.43Å; P376-Y522 HydrophobicContact CB-CE1 3.74Å; P376-Y522 HydrophobicContact CB-CG 4.08Å; P376-Y522 HydrophobicContact CG-CD1 3.71Å; P376-Y522 HydrophobicContact CG-CD2 4.4Å; P376-Y522 HydrophobicContact CG-CE1 3.78Å; P376-Y522 HydrophobicContact CG-CE2 4.5Å; P376-Y522 HydrophobicContact CG-CG 4.02Å | ||
| 377 | D | 86.7 | Confident | 82.3 | Confident | 56 Ų | 56 | 53.6 Ų | 53.6 | 30% | 0.299 | 32% | 0.321 | S | S | . | . | trans | -73.9 | 113.3 | 178 | -176.3 | 13.6 | 0 | 0 | 0 | 110.5 | F375 S379 T388 W389 | F375-D377 PolarHBondContact O-N 3.47Å; D377-S379 WeakPolarHBondContact OD1-CB 3.44Å; D377-S379 PolarHBondContact OD1-N 2.85Å; D377-S379 PolarHBondContact OD1-OG 3.18Å; D377-S379 PolarHBondContact OD2-OG 3.05Å; D377-T388 HydrophobicContact CB-CG2 4.49Å; D377-T388 CarbonylContact O-C 3.44Å; D377-T388 WeakPolarHBondContact O-CA 3.47Å; D377-W389 PolarHBondContact O-N 3.4Å | ||
| 378 | T | 82.5 | Confident | 82 | Confident | 72 Ų | 72 | 54.3 Ų | 54.3 | 44% | 0.442 | 33% | 0.326 | S | S | . | . | trans | -99.7 | 19.2 | 178.5 | 65.6 | 0 | 0 | 0 | 0 | 112.6 | P376 W389 L391 Y522 | P376-T378 PolarHBondContact O-N 3.27Å; T378-W389 WeakPolarHBondContact CA-O 3.48Å; T378-L391 HydrophobicContact CG2-CB 3.71Å; T378-L391 HydrophobicContact CG2-CD2 4.31Å; T378-Y522 HydrophobicContact CG2-CD1 4.1Å; T378-Y522 HydrophobicContact CG2-CE1 3.95Å | ||
| 379 | S | 79.5 | Confident | 82 | Confident | 40 Ų | 40 | 55.5 Ų | 55.5 | 28% | 0.28 | 33% | 0.329 | S | S | . | . | trans | -64.5 | 141.2 | 178.8 | 68.1 | 0 | 0 | 0 | 0 | 112.3 | D377 V381 K525 | D377-S379 WeakPolarHBondContact OD1-CB 3.44Å; D377-S379 PolarHBondContact OD1-N 2.85Å; D377-S379 PolarHBondContact OD1-OG 3.18Å; D377-S379 PolarHBondContact OD2-OG 3.05Å; S379-V381 VanDerWaalsContact C-N 3.27Å; S379-V381 PolarHBondContact O-N 2.8Å; S379-V381 PolarHBondContact OG-O 2.75Å; S379-V381 VanDerWaalsContact OG-O 3.08Å; S379-K525 PolarHBondContact O-NZ 3.24Å | ||
| 380 | I | 71.1 | Confident | 82.1 | Confident | 163 Ų | 163 | 60.5 Ų | 60.5 | 84% | 0.836 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -63.5 | -38.7 | 179.5 | -60.6 | 171.3 | 0 | 0 | 0 | 110.1 | K525 | I380-K525 PolarHBondContact O-NZ 3.47Š|
| 381 | V | 71.7 | Confident | 82.1 | Confident | 107 Ų | 107 | 63 Ų | 63 | 65% | 0.648 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -95.9 | 116 | -178.8 | -178.1 | 0 | 0 | 0 | 0 | 109.8 | S379 L383 | S379-V381 VanDerWaalsContact C-N 3.27Å; S379-V381 PolarHBondContact O-N 2.8Å; S379-V381 PolarHBondContact OG-O 2.75Å; S379-V381 VanDerWaalsContact OG-O 3.08Å; V381-L383 PolarHBondContact O-N 3.48Å |
| 382 | S | 68.8 | Low | 82.3 | Confident | 68 Ų | 68 | 63.7 Ų | 63.7 | 48% | 0.476 | 37% | 0.365 | S | S | . | . | P | Polyproline II helix | trans | -78.2 | 117.6 | 170.9 | 42.4 | 0 | 0 | 0 | 0 | 110.4 | T388 | S382-T388 WeakPolarHBondContact CB-OG1 3.49Š|
| 383 | L | 68 | Low | 82.3 | Confident | 108 Ų | 108 | 67.8 Ų | 67.8 | 57% | 0.565 | 38% | 0.384 | S | S | * | . | P | Polyproline II helix | trans | -72.2 | 148.1 | 166.4 | -67.8 | 174.7 | 0 | 0 | 0 | 110.1 | V381 G385 H386 | V381-L383 PolarHBondContact O-N 3.48Å; L383-G385 PolarHBondContact O-N 3.49Å; L383-H386 HydrophobicContact CB-CB 4.45Å; L383-H386 PolarHBondContact O-N 2.91Å; L383-H386 VanDerWaalsContact O-N 3.08Å |
| 384 | P | 66.6 | Low | 82.4 | Confident | 127 Ų | 127 | 69.3 Ų | 69.3 | 83% | 0.825 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | 130.3 | 174.4 | -22.9 | 32.8 | 0 | 0 | 0 | 111 | H386 | P384-H386 VanDerWaalsContact C-N 3.32Å; P384-H386 PolarHBondContact O-N 2.78Å |
| 385 | G | 66.4 | Low | 82.6 | Confident | 87 Ų | 87 | 73.5 Ų | 73.5 | 90% | 0.897 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85 | -9.1 | -179 | 0 | 0 | 0 | 0 | 0 | 115.7 | L383 | L383-G385 PolarHBondContact O-N 3.49Š|
| 386 | H | 68.1 | Low | 82.8 | Confident | 113 Ų | 113 | 72.8 Ų | 72.8 | 52% | 0.523 | 41% | 0.412 | S | S | . | . | trans | -101.9 | 124.6 | 177.6 | -70.6 | -81.8 | 0 | 0 | 0 | 112 | L383 P384 T388 | L383-H386 HydrophobicContact CB-CB 4.45Å; L383-H386 PolarHBondContact O-N 2.91Å; L383-H386 VanDerWaalsContact O-N 3.08Å; P384-H386 VanDerWaalsContact C-N 3.32Å; P384-H386 PolarHBondContact O-N 2.78Å; H386-T388 PolarHBondContact O-N 3.25Å | ||
| 387 | I | 74.1 | Confident | 83.1 | Confident | 108 Ų | 108 | 73.7 Ų | 73.7 | 55% | 0.554 | 42% | 0.422 | S | S | * | . | trans | -72.9 | 124.4 | 170 | -59.2 | 172.8 | 0 | 0 | 0 | 107.5 | W389 | I387-W389 HydrophobicContact CG2-CZ2 4.21Š| ||
| 388 | T | 84.4 | Confident | 83.5 | Confident | 15 Ų | 15 | 71.1 Ų | 71.1 | 9% | 0.092 | 41% | 0.408 | C | S | . | . | trans | -114.4 | 141.1 | 176.6 | 46 | 0 | 0 | 0 | 0 | 109.5 | D377 S382 H386 K525 | D377-T388 HydrophobicContact CB-CG2 4.49Å; D377-T388 CarbonylContact O-C 3.44Å; D377-T388 WeakPolarHBondContact O-CA 3.47Å; S382-T388 WeakPolarHBondContact CB-OG1 3.49Å; H386-T388 PolarHBondContact O-N 3.25Å; T388-K525 VanDerWaalsContact CB-CE 3.43Å; T388-K525 WeakPolarHBondContact OG1-CD 3.37Å; T388-K525 WeakPolarHBondContact OG1-CE 3.29Å; T388-K525 PolarHBondContact OG1-NZ 2.89Å | ||
| 389 | W | 91.1 | Very high | 84 | Confident | 33 Ų | 33 | 70.6 Ų | 70.6 | 13% | 0.125 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 145 | -170.1 | -60.2 | 82.3 | 0 | 0 | 0 | 110.2 | P376 D377 T378 I387 E429 Y522 | P376-W389 HydrophobicContact CB-CB 4.38Å; P376-W389 HydrophobicContact CB-CD2 4.36Å; P376-W389 HydrophobicContact CB-CG 3.89Å; D377-W389 PolarHBondContact O-N 3.4Å; T378-W389 WeakPolarHBondContact CA-O 3.48Å; I387-W389 HydrophobicContact CG2-CZ2 4.21Å; W389-E429 HydrophobicContact CH2-CB 3.93Å; W389-E429 HydrophobicContact CH2-CG 3.98Å; W389-E429 WeakPolarHBondContact CZ3-O 3.36Å; W389-Y522 HydrophobicContact CB-CD1 4.36Å; W389-Y522 WeakPolarHBondContact CZ3-O 3.3Å |
| 390 | R | 93.1 | Very high | 84.5 | Confident | 105 Ų | 105 | 69.4 Ų | 69.4 | 40% | 0.396 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 111.7 | 162.6 | 179.2 | 161.6 | 177.9 | 108.3 | -2.8 | 108 | L523 S527 E528 | R390-L523 PolarHBondContact N-O 2.89Å; R390-L523 PolarHBondContact O-N 2.79Å; R390-S527 VanDerWaalsContact CD-O 3.25Å; R390-S527 WeakPolarHBondContact CD-O 3.43Å; R390-E528 IonicContact CZ-OE1 3.42Å; R390-E528 IonicContact NH2-OE1 3.18Å; R390-E528 PolarHBondContact NH2-OE1 2.9Å |
| 391 | L | 94.9 | Very high | 85.2 | Confident | 54 Ų | 54 | 69.9 Ų | 69.9 | 28% | 0.283 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 121.7 | 171.7 | 173 | 59.5 | 0 | 0 | 0 | 109.3 | T378 E393 R520 L521 Y522 | T378-L391 HydrophobicContact CG2-CB 3.71Å; T378-L391 HydrophobicContact CG2-CD2 4.31Å; L391-E393 HydrophobicContact CD1-CG 3.81Å; L391-E393 HydrophobicContact CD2-CG 3.92Å; L391-E393 HydrophobicContact CG-CG 3.7Å; L391-R520 HydrophobicContact CD1-CB 3.89Å; L391-R520 HydrophobicContact CD1-CG 4.38Å; L391-L521 WeakPolarHBondContact CA-O 3.39Å; L391-Y522 HydrophobicContact CB-CD1 4.26Å; L391-Y522 HydrophobicContact CB-CE1 4.31Å; L391-Y522 HydrophobicContact CD1-CD1 4.04Å; L391-Y522 HydrophobicContact CD1-CD2 4.32Å; L391-Y522 HydrophobicContact CD1-CE1 3.8Å; L391-Y522 HydrophobicContact CD1-CE2 4.05Å; L391-Y522 HydrophobicContact CD1-CG 4.3Å; L391-Y522 HydrophobicContact CD2-CE1 4.22Å; L391-Y522 HydrophobicContact CG-CE1 4.33Å |
| 392 | C | 96.3 | Very high | 85.9 | Confident | 14 Ų | 14 | 70.9 Ų | 70.9 | 10% | 0.095 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 120.1 | 166.9 | -56 | 0 | 0 | 0 | 0 | 108.8 | L521 S529 | C392-L521 HydrophobicContact CB-CB 4.44Å; C392-L521 PolarHBondContact N-O 2.91Å; C392-L521 PolarHBondContact O-N 3.01Å; C392-S529 WeakPolarHBondContact CB-OG 3.5Å |
| 393 | E | 95.8 | Very high | 87.2 | Confident | 86 Ų | 86 | 67.8 Ų | 67.8 | 40% | 0.402 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 129.2 | -179.9 | -58.7 | -168.8 | 114.4 | 0 | 0 | 110.3 | L391 L518 L519 R520 | L391-E393 HydrophobicContact CD1-CG 3.81Å; L391-E393 HydrophobicContact CD2-CG 3.92Å; L391-E393 HydrophobicContact CG-CG 3.7Å; E393-L518 HydrophobicContact CB-CD1 4.19Å; E393-L519 WeakPolarHBondContact CA-O 3.48Å; E393-R520 HydrophobicContact CG-CG 4.21Å |
| 394 | H | 97.4 | Very high | 88.5 | Confident | 32 Ų | 32 | 62.6 Ų | 62.6 | 15% | 0.148 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 120 | 174.1 | -57.2 | -84.7 | 0 | 0 | 0 | 109.2 | Y419 L519 S529 | H394-Y419 HydrophobicContact CB-CD1 4.17Å; H394-Y419 HydrophobicContact CB-CE1 3.55Å; H394-Y419 AromaticContact CD2-CD1 3.83Å; H394-Y419 AromaticContact CE1-CD1 3.88Å; H394-Y419 AromaticContact CG-CD1 3.62Å; H394-Y419 AromaticContact CG-CE1 3.45Å; H394-Y419 VanDerWaalsContact CG-CE1 3.45Å; H394-Y419 AromaticContact ND1-CD1 3.67Å; H394-Y419 AromaticContact ND1-CE1 3.53Å; H394-Y419 AromaticContact NE2-CD1 3.97Å; H394-L519 HydrophobicContact CB-CB 4.32Å; H394-L519 PolarHBondContact N-O 3.43Å; H394-L519 PolarHBondContact O-N 2.9Å; H394-S529 PolarHBondContact NE2-OG 3.05Å |
| 395 | H | 96.8 | Very high | 89.9 | Confident | 104 Ų | 104 | 56.6 Ų | 56.6 | 48% | 0.481 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 102.1 | 170 | -65.2 | -78.6 | 0 | 0 | 0 | 108.4 | E128 K437 | E128-H395 PolarHBondContact O-CE1 2.74Å; H395-K437 WeakPolarHBondContact ND1-CE 3.48Å; H395-K437 PolarHBondContact ND1-NZ 2.75Å |
| 396 | G | 96.2 | Very high | 91.3 | Very high | 14 Ų | 14 | 53 Ų | 53 | 14% | 0.144 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 178.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y517 | G396-Y517 VanDerWaalsContact C-CE1 3.5Å; G396-Y517 PolarHBondContact N-O 3.38Å; G396-Y517 VanDerWaalsContact N-O 3.16Å; G396-Y517 PolarHBondContact O-N 2.81Å |
| 397 | A | 96 | Very high | 92.6 | Very high | 42 Ų | 42 | 50 Ų | 50 | 35% | 0.347 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 144.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110 | A515 A516 | A397-A515 CarbonylContact C-O 3.55Å; A397-A515 WeakPolarHBondContact CA-O 3.42Å; A397-A516 HydrophobicContact CB-CB 4.39Å |
| 398 | W | 95.9 | Very high | 93.6 | Very high | 1 Ų | 1 | 52.2 Ų | 52.2 | 0% | 0.004 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 127.5 | 163.3 | -63.9 | -76.7 | 0 | 0 | 0 | 108.1 | T403 L434 I456 P506 M508 T514 A515 Y517 | W398-T403 HydrophobicContact CB-CG2 4.17Å; W398-T403 WeakPolarHBondContact CB-OG1 3.17Å; W398-T403 HydrophobicContact CG-CG2 4.39Å; W398-L434 HydrophobicContact CH2-CD1 4.23Å; W398-L434 HydrophobicContact CH2-CD2 4.08Å; W398-L434 HydrophobicContact CZ2-CD2 4.2Å; W398-I456 HydrophobicContact CH2-CB 4.26Å; W398-I456 HydrophobicContact CH2-CG2 3.54Å; W398-I456 HydrophobicContact CZ2-CG2 4.38Å; W398-I456 HydrophobicContact CZ3-CG2 3.77Å; W398-P506 HydrophobicContact CZ2-CB 3.82Å; W398-P506 PolarHBondContact NE1-O 3.32Å; W398-M508 HydrophobicContact CB-CE 3.29Å; W398-M508 HydrophobicContact CD2-CE 3.9Å; W398-M508 HydrophobicContact CD2-CG 3.86Å; W398-M508 HydrophobicContact CD2-SD 4.32Å; W398-M508 HydrophobicContact CE3-CE 4.02Å; W398-M508 HydrophobicContact CE3-CG 3.88Å; W398-M508 HydrophobicContact CE3-SD 4.01Å; W398-M508 HydrophobicContact CG-CE 3.63Å; W398-M508 HydrophobicContact CG-CG 4.33Å; W398-M508 HydrophobicContact CH2-CG 4.41Å; W398-M508 HydrophobicContact CZ2-CG 4.37Å; W398-M508 HydrophobicContact CZ3-CG 4.17Å; W398-T514 VanDerWaalsContact O-CA 3.27Å; W398-T514 WeakPolarHBondContact O-CA 3.12Å; W398-T514 WeakPolarHBondContact O-CG2 3.4Å; W398-A515 HydrophobicContact CE3-CB 3.93Å; W398-A515 HydrophobicContact CZ3-CB 4.34Å; W398-A515 PolarHBondContact N-O 3.46Å; W398-A515 PolarHBondContact O-N 3.17Å; W398-A515 VanDerWaalsContact O-N 3.17Å; W398-Y517 AromaticContact CD2-CD1 3.67Å; W398-Y517 HydrophobicContact CD2-CD1 3.67Å; W398-Y517 AromaticContact CD2-CE1 3.9Å; W398-Y517 HydrophobicContact CD2-CE1 3.9Å; W398-Y517 AromaticContact CE2-CD1 3.81Å; W398-Y517 AromaticContact CE2-CE1 3.88Å; W398-Y517 AromaticContact CE3-CD1 3.47Å; W398-Y517 HydrophobicContact CE3-CD1 3.47Å; W398-Y517 VanDerWaalsContact CE3-CD1 3.47Å; W398-Y517 HydrophobicContact CE3-CE1 4.18Å; W398-Y517 HydrophobicContact CE3-CG 4.37Å; W398-Y517 HydrophobicContact CG-CE1 4.38Å; W398-Y517 AromaticContact CH2-CD1 3.6Å; W398-Y517 HydrophobicContact CH2-CD1 3.6Å; W398-Y517 HydrophobicContact CH2-CE1 4.41Å; W398-Y517 AromaticContact CH2-CG 3.85Å; W398-Y517 HydrophobicContact CH2-CG 3.85Å; W398-Y517 AromaticContact CZ2-CD1 3.8Å; W398-Y517 HydrophobicContact CZ2-CD1 3.8Å; W398-Y517 HydrophobicContact CZ2-CE1 4.17Å; W398-Y517 HydrophobicContact CZ2-CG 4.31Å; W398-Y517 AromaticContact CZ3-CD1 3.43Å; W398-Y517 HydrophobicContact CZ3-CD1 3.43Å; W398-Y517 VanDerWaalsContact CZ3-CD1 3.43Å; W398-Y517 HydrophobicContact CZ3-CE1 4.42Å; W398-Y517 AromaticContact CZ3-CG 3.89Å; W398-Y517 HydrophobicContact CZ3-CG 3.89Å |
| 399 | C | 91.8 | Very high | 94.1 | Very high | 61 Ų | 61 | 55.3 Ų | 55.3 | 41% | 0.412 | 28% | 0.275 | S | S | . | . | trans | -127.8 | 87.5 | -171.4 | -66.9 | 0 | 0 | 0 | 0 | 109.9 | H401 Q402 T403 | C399-H401 PolarHBondContact O-N 2.96Å; C399-Q402 PolarHBondContact O-N 3.45Å; C399-T403 PolarHBondContact N-OG1 3.06Å | ||
| 400 | G | 89.5 | Confident | 94.2 | Very high | 15 Ų | 15 | 62.1 Ų | 62.1 | 16% | 0.155 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | 44.5 | -108.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q402 T403 L512 S513 T514 | G400-Q402 PolarHBondContact O-N 2.95Å; G400-T403 WeakPolarHBondContact O-CB 3.33Å; G400-T403 PolarHBondContact O-N 3.28Å; G400-T403 PolarHBondContact O-OG1 3.02Å; G400-L512 WeakPolarHBondContact CA-O 3.44Å; G400-L512 VanDerWaalsContact O-CA 3.26Å; G400-L512 WeakPolarHBondContact O-CA 3.45Å; G400-S513 PolarHBondContact N-O 3.01Å; G400-T514 PolarHBondContact N-OG1 2.74Å |
| 401 | H | 86.5 | Confident | 94.2 | Very high | 174 Ų | 174 | 64.5 Ų | 64.5 | 81% | 0.806 | 32% | 0.321 | S | S | * | . | G | 310 helix | trans | -52.2 | -22.6 | -179.8 | -56.3 | 98.2 | 0 | 0 | 0 | 115.9 | C399 | C399-H401 PolarHBondContact O-N 2.96Š|
| 402 | Q | 86.9 | Confident | 94.1 | Very high | 127 Ų | 127 | 64 Ų | 64 | 59% | 0.593 | 32% | 0.32 | S | S | * | . | G | 310 helix | trans | -89.9 | -2.9 | 176.9 | -64.6 | 178 | -19.4 | 0 | 0 | 113.3 | C399 G400 H415 | C399-Q402 PolarHBondContact O-N 3.45Å; G400-Q402 PolarHBondContact O-N 2.95Å; Q402-H415 CarbonylContact O-C 3.55Å |
| 403 | T | 94.6 | Very high | 94.2 | Very high | 3 Ų | 3 | 63.3 Ų | 63.3 | 2% | 0.018 | 32% | 0.316 | C | S | . | . | trans | -89.5 | 111.7 | 179.4 | -52.2 | 0 | 0 | 0 | 0 | 109.7 | W398 C399 G400 M508 P511 L512 S513 | W398-T403 HydrophobicContact CB-CG2 4.17Å; W398-T403 WeakPolarHBondContact CB-OG1 3.17Å; W398-T403 HydrophobicContact CG-CG2 4.39Å; C399-T403 PolarHBondContact N-OG1 3.06Å; G400-T403 WeakPolarHBondContact O-CB 3.33Å; G400-T403 PolarHBondContact O-N 3.28Å; G400-T403 PolarHBondContact O-OG1 3.02Å; T403-M508 HydrophobicContact CG2-CB 4.26Å; T403-M508 HydrophobicContact CG2-CE 3.58Å; T403-P511 VanDerWaalsContact O-CA 3.31Å; T403-P511 WeakPolarHBondContact O-CA 3.35Å; T403-P511 WeakPolarHBondContact O-CB 3.39Å; T403-L512 PolarHBondContact O-N 2.89Å; T403-S513 WeakPolarHBondContact CB-O 2.93Å; T403-S513 PolarHBondContact OG1-O 3.3Å | ||
| 404 | G | 95.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 30% | 0.298 | C | S | . | . | trans | -82.7 | -16.5 | -172.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | Y409 T412 F413 N416 | G404-Y409 WeakPolarHBondContact O-CB 3.46Å; G404-T412 WeakPolarHBondContact CA-O 3.45Å; G404-T412 CarbonylContact O-C 3.52Å; G404-T412 WeakPolarHBondContact O-CB 3.12Å; G404-T412 PolarHBondContact O-OG1 2.85Å; G404-F413 PolarHBondContact O-N 2.94Å; G404-N416 WeakPolarHBondContact CA-ND2 3.42Å; G404-N416 PolarHBondContact N-OD1 3.35Å | ||
| 405 | G | 96.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 31% | 0.313 | C | S | . | . | trans | 77 | -175.8 | -169.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | F413 N416 M508 | G405-F413 WeakPolarHBondContact O-CD2 3.13Å; G405-N416 PolarHBondContact O-ND2 3.03Å; G405-M508 CarbonylContact C-O 3.54Å; G405-M508 VanDerWaalsContact CA-O 3.22Å; G405-M508 WeakPolarHBondContact CA-O 3.35Å | ||
| 406 | N | 96.3 | Very high | 94.1 | Very high | 13 Ų | 13 | 57.8 Ų | 57.8 | 7% | 0.07 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -79.4 | -176 | 178 | 72 | 20.9 | 0 | 0 | 0 | 112.8 | Q408 Y409 F507 M508 E509 | N406-Q408 PolarHBondContact O-N 3.42Å; N406-Q408 VanDerWaalsContact O-N 3.1Å; N406-Q408 WeakPolarHBondContact OD1-CB 3.23Å; N406-Q408 WeakPolarHBondContact OD1-CG 3.19Å; N406-Q408 PolarHBondContact OD1-N 3.26Å; N406-Y409 WeakPolarHBondContact O-CB 3.49Å; N406-Y409 PolarHBondContact O-N 3.32Å; N406-F507 HydrophobicContact CB-CD2 3.74Å; N406-F507 HydrophobicContact CB-CE2 3.7Å; N406-M508 PolarHBondContact N-O 2.96Å; N406-E509 PolarHBondContact N-O 3.41Å; N406-E509 VanDerWaalsContact N-O 3.16Å |
| 407 | L | 95.2 | Very high | 94.1 | Very high | 49 Ų | 49 | 57.9 Ų | 57.9 | 26% | 0.257 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -12.8 | -176.6 | -76.8 | 175.1 | 0 | 0 | 0 | 115.6 | Y409 F413 F461 L474 V482 | L407-Y409 PolarHBondContact O-N 3.16Å; L407-F413 HydrophobicContact CD2-CD1 3.75Å; L407-F413 HydrophobicContact CD2-CD2 3.87Å; L407-F413 HydrophobicContact CD2-CE1 3.66Å; L407-F413 HydrophobicContact CD2-CE2 3.78Å; L407-F413 HydrophobicContact CD2-CG 3.84Å; L407-F413 HydrophobicContact CD2-CZ 3.67Å; L407-F413 HydrophobicContact CG-CD2 4.09Å; L407-F413 HydrophobicContact CG-CE1 4.5Å; L407-F413 HydrophobicContact CG-CE2 3.8Å; L407-F413 HydrophobicContact CG-CZ 4.02Å; L407-F461 HydrophobicContact CD2-CZ 4.31Å; L407-L474 HydrophobicContact CD2-CD1 4.22Å; L407-L474 HydrophobicContact CD2-CD2 4.08Å; L407-V482 HydrophobicContact CD1-CB 4.26Å; L407-V482 HydrophobicContact CD1-CG1 3.82Å; L407-V482 HydrophobicContact CD1-CG2 3.72Å |
| 408 | Q | 95 | Very high | 94.2 | Very high | 155 Ų | 155 | 55.9 Ų | 55.9 | 72% | 0.724 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -31.6 | 171.5 | -60.1 | 177.4 | -13.9 | 0 | 0 | 110.3 | N406 R410 | N406-Q408 PolarHBondContact O-N 3.42Å; N406-Q408 VanDerWaalsContact O-N 3.1Å; N406-Q408 WeakPolarHBondContact OD1-CB 3.23Å; N406-Q408 WeakPolarHBondContact OD1-CG 3.19Å; N406-Q408 PolarHBondContact OD1-N 3.26Å; Q408-R410 VanDerWaalsContact C-N 3.28Å; Q408-R410 PolarHBondContact O-N 3.28Å |
| 409 | Y | 95.1 | Very high | 94.4 | Very high | 79 Ų | 79 | 55.9 Ų | 55.9 | 31% | 0.31 | 27% | 0.272 | S | S | . | . | trans | -85.6 | 62 | 176.4 | -61.4 | -78.8 | 0 | 0 | 0 | 111.8 | G404 N406 L407 N411 T412 F413 E509 Q510 P511 | G404-Y409 WeakPolarHBondContact O-CB 3.46Å; N406-Y409 WeakPolarHBondContact O-CB 3.49Å; N406-Y409 PolarHBondContact O-N 3.32Å; L407-Y409 PolarHBondContact O-N 3.16Å; Y409-N411 PolarHBondContact O-N 3.49Å; Y409-T412 WeakPolarHBondContact CB-OG1 3.35Å; Y409-T412 PolarHBondContact O-N 3.34Å; Y409-F413 WeakPolarHBondContact O-CB 3.18Å; Y409-F413 PolarHBondContact O-N 3.36Å; Y409-E509 WeakPolarHBondContact CE2-O 3.49Å; Y409-Q510 PolarHBondContact OH-OE1 2.65Å; Y409-P511 HydrophobicContact CD1-CG 4.1Å; Y409-P511 HydrophobicContact CE1-CG 3.96Å; Y409-P511 VanDerWaalsContact CE2-CD 3.49Å; Y409-P511 HydrophobicContact CE2-CG 4.41Å; Y409-P511 HydrophobicContact CG-CG 4.4Å; Y409-P511 VanDerWaalsContact CZ-CD 3.5Å | ||
| 410 | R | 93.3 | Very high | 94.7 | Very high | 176 Ų | 176 | 54.7 Ų | 54.7 | 66% | 0.664 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52 | -34.4 | -171 | -58.6 | -174.8 | 82.6 | 85.4 | -3.3 | 114.7 | Q408 L474 | Q408-R410 VanDerWaalsContact C-N 3.28Å; Q408-R410 PolarHBondContact O-N 3.28Å; R410-L474 HydrophobicContact CB-CD1 4.25Å; R410-L474 WeakPolarHBondContact O-CD1 3.4Å |
| 411 | N | 91.8 | Very high | 95.1 | Very high | 156 Ų | 156 | 54 Ų | 54 | 83% | 0.834 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -22 | -177.3 | -63.3 | -17.5 | 0 | 0 | 0 | 113.5 | Y409 | Y409-N411 PolarHBondContact O-N 3.49Š|
| 412 | T | 94.6 | Very high | 95.6 | Very high | 42 Ų | 42 | 48 Ų | 48 | 26% | 0.258 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -118.3 | -13.6 | -175.1 | 55.1 | 0 | 0 | 0 | 0 | 112.9 | G404 Y409 L414 H415 | G404-T412 WeakPolarHBondContact CA-O 3.45Å; G404-T412 CarbonylContact O-C 3.52Å; G404-T412 WeakPolarHBondContact O-CB 3.12Å; G404-T412 PolarHBondContact O-OG1 2.85Å; Y409-T412 WeakPolarHBondContact CB-OG1 3.35Å; Y409-T412 PolarHBondContact O-N 3.34Å; T412-L414 PolarHBondContact O-N 3.3Å; T412-L414 VanDerWaalsContact O-N 3.11Å; T412-H415 WeakPolarHBondContact O-CA 3.45Å; T412-H415 WeakPolarHBondContact O-CB 3.44Å; T412-H415 PolarHBondContact O-N 3.19Å |
| 413 | F | 96.8 | Very high | 96 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 20% | 0.198 | C | C | . | . | G | 310 helix | trans | -50.2 | -41.1 | -178.3 | 176.2 | -96 | 0 | 0 | 0 | 113.3 | G404 G405 L407 Y409 H415 N416 F461 L474 V505 F507 | G404-F413 PolarHBondContact O-N 2.94Å; G405-F413 WeakPolarHBondContact O-CD2 3.13Å; L407-F413 HydrophobicContact CD2-CD1 3.75Å; L407-F413 HydrophobicContact CD2-CD2 3.87Å; L407-F413 HydrophobicContact CD2-CE1 3.66Å; L407-F413 HydrophobicContact CD2-CE2 3.78Å; L407-F413 HydrophobicContact CD2-CG 3.84Å; L407-F413 HydrophobicContact CD2-CZ 3.67Å; L407-F413 HydrophobicContact CG-CD2 4.09Å; L407-F413 HydrophobicContact CG-CE1 4.5Å; L407-F413 HydrophobicContact CG-CE2 3.8Å; L407-F413 HydrophobicContact CG-CZ 4.02Å; Y409-F413 WeakPolarHBondContact O-CB 3.18Å; Y409-F413 PolarHBondContact O-N 3.36Å; F413-H415 PolarHBondContact O-N 3.41Å; F413-N416 VanDerWaalsContact O-CB 3.32Å; F413-N416 WeakPolarHBondContact O-CB 3.37Å; F413-N416 PolarHBondContact O-N 3.04Å; F413-N416 PolarHBondContact O-ND2 3.2Å; F413-F461 AromaticContact CE1-CE2 3.83Å; F413-F461 HydrophobicContact CE1-CE2 3.83Å; F413-F461 AromaticContact CE1-CZ 3.66Å; F413-F461 HydrophobicContact CE1-CZ 3.66Å; F413-F461 HydrophobicContact CZ-CE2 4Å; F413-F461 AromaticContact CZ-CZ 3.79Å; F413-F461 HydrophobicContact CZ-CZ 3.79Å; F413-L474 HydrophobicContact CB-CD1 4.31Å; F413-L474 HydrophobicContact CD1-CD1 4.37Å; F413-L474 HydrophobicContact CD1-CD2 3.67Å; F413-L474 HydrophobicContact CD1-CG 4.39Å; F413-L474 HydrophobicContact CE1-CD2 4.07Å; F413-V505 HydrophobicContact CE1-CB 4.19Å; F413-V505 HydrophobicContact CE1-CG1 3.93Å; F413-V505 HydrophobicContact CE1-CG2 4.35Å; F413-V505 HydrophobicContact CE2-CG1 4.5Å; F413-V505 HydrophobicContact CZ-CB 4.1Å; F413-V505 HydrophobicContact CZ-CG1 3.88Å; F413-F507 HydrophobicContact CE2-CB 4.09Å; F413-F507 AromaticContact CE2-CD1 3.5Å; F413-F507 HydrophobicContact CE2-CD1 3.5Å; F413-F507 AromaticContact CE2-CE1 4Å; F413-F507 HydrophobicContact CE2-CE1 4Å; F413-F507 AromaticContact CE2-CG 3.81Å; F413-F507 HydrophobicContact CE2-CG 3.81Å; F413-F507 AromaticContact CZ-CD1 3.9Å; F413-F507 HydrophobicContact CZ-CD1 3.9Å; F413-F507 HydrophobicContact CZ-CE1 4.3Å |
| 414 | L | 96.1 | Very high | 95.9 | Very high | 8 Ų | 8 | 47.3 Ų | 47.3 | 4% | 0.042 | 22% | 0.224 | C | C | . | . | G | 310 helix | trans | -78.2 | -2.9 | 179.5 | -68.1 | 175.3 | 0 | 0 | 0 | 113.8 | T412 Q418 L474 L503 | T412-L414 PolarHBondContact O-N 3.3Å; T412-L414 VanDerWaalsContact O-N 3.11Å; L414-Q418 PolarHBondContact O-NE2 2.81Å; L414-L474 HydrophobicContact CD1-CB 4.49Å; L414-L474 HydrophobicContact CD1-CD2 4.13Å; L414-L474 HydrophobicContact CD1-CG 3.92Å; L414-L474 HydrophobicContact CD2-CD2 4.09Å; L414-L474 HydrophobicContact CG-CD2 4.01Å; L414-L474 HydrophobicContact CG-CG 4.07Å; L414-L503 HydrophobicContact CD2-CD2 4.46Å |
| 415 | H | 95.1 | Very high | 95.7 | Very high | 98 Ų | 98 | 51 Ų | 51 | 45% | 0.454 | 24% | 0.244 | S | C | . | . | G | 310 helix | trans | -70.8 | -24.4 | 166.7 | -61.1 | 175.3 | 0 | 0 | 0 | 112.1 | Q402 T412 F413 | Q402-H415 CarbonylContact O-C 3.55Å; T412-H415 WeakPolarHBondContact O-CA 3.45Å; T412-H415 WeakPolarHBondContact O-CB 3.44Å; T412-H415 PolarHBondContact O-N 3.19Å; F413-H415 PolarHBondContact O-N 3.41Å |
| 416 | N | 96.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -54.6 | 154.9 | 173.3 | -71.9 | -60.8 | 0 | 0 | 0 | 110.7 | G404 G405 F413 Q418 V505 F507 | G404-N416 WeakPolarHBondContact CA-ND2 3.42Å; G404-N416 PolarHBondContact N-OD1 3.35Å; G405-N416 PolarHBondContact O-ND2 3.03Å; F413-N416 VanDerWaalsContact O-CB 3.32Å; F413-N416 WeakPolarHBondContact O-CB 3.37Å; F413-N416 PolarHBondContact O-N 3.04Å; F413-N416 PolarHBondContact O-ND2 3.2Å; N416-Q418 WeakPolarHBondContact O-CG 3.27Å; N416-Q418 PolarHBondContact O-N 2.81Å; N416-V505 HydrophobicContact CB-CG1 3.66Å; N416-F507 WeakPolarHBondContact ND2-CB 3.31Å |
| 417 | P | 97.3 | Very high | 94.9 | Very high | 17 Ų | 17 | 59.2 Ų | 59.2 | 11% | 0.11 | 29% | 0.294 | C | S | . | . | trans | -50.9 | 140.6 | 175 | -27.9 | 36.8 | 0 | 0 | 0 | 112.2 | Y419 P506 Y517 | P417-Y419 HydrophobicContact CB-CE2 3.86Å; P417-P506 HydrophobicContact CB-CG 4.3Å; P417-P506 WeakPolarHBondContact O-CD 3.36Å; P417-Y517 WeakPolarHBondContact CB-OH 3.36Å; P417-Y517 HydrophobicContact CG-CE1 4.26Å; P417-Y517 VanDerWaalsContact CG-OH 3.28Å; P417-Y517 WeakPolarHBondContact CG-OH 3.49Å | ||
| 418 | Q | 97.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 29% | 0.291 | C | S | . | . | trans | -124.7 | 115.5 | -175.4 | -69.5 | -172.7 | 39.2 | 0 | 0 | 109.8 | L414 N416 S471 L503 V505 F532 | L414-Q418 PolarHBondContact O-NE2 2.81Å; N416-Q418 WeakPolarHBondContact O-CG 3.27Å; N416-Q418 PolarHBondContact O-N 2.81Å; Q418-S471 PolarHBondContact NE2-O 3.47Å; Q418-L503 HydrophobicContact CB-CD1 3.75Å; Q418-L503 HydrophobicContact CG-CD1 4.22Å; Q418-V505 HydrophobicContact CG-CG2 4.38Å; Q418-F532 HydrophobicContact CB-CB 4.23Å; Q418-F532 HydrophobicContact CB-CD2 4.27Å; Q418-F532 PolarHBondContact O-N 3Å | ||
| 419 | Y | 98.6 | Very high | 94.7 | Very high | 1 Ų | 1 | 52.7 Ų | 52.7 | 0% | 0.004 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 149.8 | 174.3 | -58.1 | -89.6 | 0 | 0 | 0 | 109.6 | H394 P417 L503 V504 P506 Y517 L519 R530 E531 | H394-Y419 HydrophobicContact CB-CD1 4.17Å; H394-Y419 HydrophobicContact CB-CE1 3.55Å; H394-Y419 AromaticContact CD2-CD1 3.83Å; H394-Y419 AromaticContact CE1-CD1 3.88Å; H394-Y419 AromaticContact CG-CD1 3.62Å; H394-Y419 AromaticContact CG-CE1 3.45Å; H394-Y419 VanDerWaalsContact CG-CE1 3.45Å; H394-Y419 AromaticContact ND1-CD1 3.67Å; H394-Y419 AromaticContact ND1-CE1 3.53Å; H394-Y419 AromaticContact NE2-CD1 3.97Å; P417-Y419 HydrophobicContact CB-CE2 3.86Å; Y419-L503 CarbonylContact O-C 3.55Å; Y419-L503 WeakPolarHBondContact O-CA 3.42Å; Y419-L503 WeakPolarHBondContact O-CD1 3.14Å; Y419-V504 PolarHBondContact N-O 3.3Å; Y419-V504 PolarHBondContact O-N 2.79Å; Y419-P506 HydrophobicContact CD2-CG 4.16Å; Y419-P506 HydrophobicContact CE2-CG 3.83Å; Y419-Y517 HydrophobicContact CE2-CE2 4.21Å; Y419-Y517 WeakPolarHBondContact CE2-OH 3.34Å; Y419-Y517 PolarHBondContact OH-OH 3.48Å; Y419-L519 HydrophobicContact CD1-CD2 4.45Å; Y419-L519 HydrophobicContact CD2-CD2 3.42Å; Y419-L519 VanDerWaalsContact CD2-CD2 3.42Å; Y419-L519 HydrophobicContact CE2-CD2 3.79Å; Y419-L519 HydrophobicContact CG-CD2 3.79Å; Y419-R530 CarbonylContact C-O 3.58Å; Y419-R530 VanDerWaalsContact CA-O 3.27Å; Y419-R530 WeakPolarHBondContact CA-O 3.35Å; Y419-E531 HydrophobicContact CD1-CB 3.78Å; Y419-E531 HydrophobicContact CD1-CG 4.03Å; Y419-E531 HydrophobicContact CE1-CB 3.67Å; Y419-E531 HydrophobicContact CE1-CG 3.71Å; Y419-E531 WeakPolarHBondContact CE1-OE2 3.44Å; Y419-E531 PolarHBondContact OH-OE2 3.41Å |
| 420 | Y | 98.4 | Very high | 94.7 | Very high | 35 Ų | 35 | 48.9 Ų | 48.9 | 14% | 0.137 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 154.4 | 178.4 | 75.9 | -81.8 | 0 | 0 | 0 | 112 | R501 Y502 S529 R530 F532 | Y420-R501 HydrophobicContact CD2-CG 4.39Å; Y420-Y502 WeakPolarHBondContact CA-O 3.36Å; Y420-Y502 VanDerWaalsContact CB-O 3.29Å; Y420-Y502 WeakPolarHBondContact CB-O 3.33Å; Y420-S529 CarbonylContact O-C 3.52Å; Y420-S529 WeakPolarHBondContact O-CA 2.95Å; Y420-R530 HydrophobicContact CD1-CB 4.29Å; Y420-R530 WeakPolarHBondContact CD1-O 3.32Å; Y420-R530 HydrophobicContact CE1-CB 3.62Å; Y420-R530 PolarHBondContact N-O 3.04Å; Y420-R530 PolarHBondContact O-N 3.34Å; Y420-F532 AromaticContact CD1-CD1 3.58Å; Y420-F532 HydrophobicContact CD1-CD1 3.58Å; Y420-F532 AromaticContact CD1-CD2 3.71Å; Y420-F532 HydrophobicContact CD1-CD2 3.71Å; Y420-F532 AromaticContact CD1-CE1 3.4Å; Y420-F532 HydrophobicContact CD1-CE1 3.4Å; Y420-F532 VanDerWaalsContact CD1-CE1 3.4Å; Y420-F532 AromaticContact CD1-CE2 3.56Å; Y420-F532 HydrophobicContact CD1-CE2 3.56Å; Y420-F532 AromaticContact CD1-CG 3.71Å; Y420-F532 HydrophobicContact CD1-CG 3.71Å; Y420-F532 AromaticContact CD1-CZ 3.4Å; Y420-F532 HydrophobicContact CD1-CZ 3.4Å; Y420-F532 HydrophobicContact CD2-CE1 4.35Å; Y420-F532 AromaticContact CD2-CZ 3.97Å; Y420-F532 HydrophobicContact CD2-CZ 3.97Å; Y420-F532 AromaticContact CE1-CD1 3.57Å; Y420-F532 HydrophobicContact CE1-CD1 3.57Å; Y420-F532 AromaticContact CE1-CE1 3.43Å; Y420-F532 HydrophobicContact CE1-CE1 3.43Å; Y420-F532 VanDerWaalsContact CE1-CE1 3.43Å; Y420-F532 HydrophobicContact CE1-CE2 4.43Å; Y420-F532 HydrophobicContact CE1-CG 4.13Å; Y420-F532 AromaticContact CE1-CZ 3.9Å; Y420-F532 HydrophobicContact CE1-CZ 3.9Å; Y420-F532 HydrophobicContact CE2-CE1 4.37Å; Y420-F532 HydrophobicContact CE2-CZ 4.41Å; Y420-F532 HydrophobicContact CG-CD1 4.45Å; Y420-F532 HydrophobicContact CG-CD2 4.19Å; Y420-F532 AromaticContact CG-CE1 3.89Å; Y420-F532 HydrophobicContact CG-CE1 3.89Å; Y420-F532 AromaticContact CG-CE2 3.61Å; Y420-F532 HydrophobicContact CG-CE2 3.61Å; Y420-F532 AromaticContact CG-CZ 3.43Å; Y420-F532 HydrophobicContact CG-CZ 3.43Å; Y420-F532 VanDerWaalsContact CG-CZ 3.43Å; Y420-F532 AromaticContact CZ-CE1 3.94Å |
| 421 | F | 98.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 162.1 | 173 | 62 | -96.1 | 0 | 0 | 0 | 110.6 | I423 V430 L432 L460 L497 Y502 V504 L521 L523 E528 | F421-I423 HydrophobicContact CD2-CD1 3.98Å; F421-I423 HydrophobicContact CD2-CG1 4.09Å; F421-I423 HydrophobicContact CE2-CD1 3.7Å; F421-I423 HydrophobicContact CE2-CG1 3.75Å; F421-V430 HydrophobicContact CE2-CG1 4.12Å; F421-V430 HydrophobicContact CZ-CG1 4.27Å; F421-L432 HydrophobicContact CE1-CD2 4.09Å; F421-L432 HydrophobicContact CZ-CD2 4.32Å; F421-L460 HydrophobicContact CE1-CD1 4.37Å; F421-L460 HydrophobicContact CZ-CD1 4.16Å; F421-L497 HydrophobicContact CE2-CD1 3.87Å; F421-L497 HydrophobicContact CZ-CD1 3.93Å; F421-Y502 HydrophobicContact CE2-CD2 4.03Å; F421-Y502 HydrophobicContact CE2-CG 4.14Å; F421-Y502 HydrophobicContact CZ-CG 4.32Å; F421-Y502 PolarHBondContact N-O 2.76Å; F421-Y502 VanDerWaalsContact N-O 3.09Å; F421-Y502 PolarHBondContact O-N 2.62Å; F421-V504 HydrophobicContact CD1-CG2 4.08Å; F421-V504 HydrophobicContact CE1-CG2 3.5Å; F421-L521 HydrophobicContact CD1-CD1 4.34Å; F421-L523 HydrophobicContact CB-CD1 3.75Å; F421-L523 HydrophobicContact CD1-CD1 4.24Å; F421-L523 HydrophobicContact CD1-CD2 4.01Å; F421-L523 HydrophobicContact CD2-CD1 4.36Å; F421-L523 HydrophobicContact CD2-CD2 3.94Å; F421-L523 HydrophobicContact CE1-CD2 4Å; F421-L523 HydrophobicContact CE2-CD2 3.96Å; F421-L523 HydrophobicContact CG-CD1 3.87Å; F421-L523 HydrophobicContact CG-CD2 3.97Å; F421-L523 HydrophobicContact CZ-CD2 3.99Å; F421-E528 WeakPolarHBondContact CB-O 3.49Å |
| 422 | D | 97.1 | Very high | 95.2 | Very high | 50 Ų | 50 | 33.4 Ų | 33.4 | 27% | 0.267 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 132.9 | 179.5 | -63 | -46.9 | 0 | 0 | 0 | 110.3 | M424 R501 S527 | D422-M424 HydrophobicContact CB-SD 4.46Å; D422-R501 VanDerWaalsContact OD1-CB 3.31Å; D422-R501 WeakPolarHBondContact OD1-CB 3.41Å; D422-R501 WeakPolarHBondContact OD1-CG 3.37Å; D422-R501 IonicContact OD1-CZ 3.51Å; D422-R501 IonicContact OD1-NE 2.76Å; D422-R501 PolarHBondContact OD1-NE 3.33Å; D422-R501 IonicContact OD1-NH2 3.3Å; D422-R501 PolarHBondContact OD1-NH2 2.81Å; D422-R501 IonicContact OD2-CZ 3.79Å; D422-R501 IonicContact OD2-NE 3.79Å; D422-R501 IonicContact OD2-NH2 3.02Å; D422-R501 PolarHBondContact OD2-NH2 3.16Å; D422-S527 VanDerWaalsContact O-CB 3.27Å; D422-S527 WeakPolarHBondContact O-CB 3.41Å; D422-S527 PolarHBondContact O-OG 2.88Å |
| 423 | I | 96.5 | Very high | 95.3 | Very high | 2 Ų | 2 | 31.4 Ų | 31.4 | 1% | 0.01 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 130.8 | 170.9 | -64.2 | -63.1 | 0 | 0 | 0 | 109.2 | F421 N425 D428 V430 L497 V499 G500 Y502 P524 | F421-I423 HydrophobicContact CD2-CD1 3.98Å; F421-I423 HydrophobicContact CD2-CG1 4.09Å; F421-I423 HydrophobicContact CE2-CD1 3.7Å; F421-I423 HydrophobicContact CE2-CG1 3.75Å; I423-N425 WeakPolarHBondContact CG2-O 3.46Å; I423-D428 HydrophobicContact CG2-CB 3.9Å; I423-V430 HydrophobicContact CD1-CG1 3.81Å; I423-L497 HydrophobicContact CD1-CD1 4.36Å; I423-L497 HydrophobicContact CG1-CB 4.03Å; I423-L497 HydrophobicContact CG1-CD1 3.98Å; I423-L497 HydrophobicContact CG2-CB 4.48Å; I423-V499 WeakPolarHBondContact O-CA 3.05Å; I423-V499 WeakPolarHBondContact O-CG1 3.25Å; I423-G500 PolarHBondContact N-O 3.22Å; I423-G500 PolarHBondContact O-N 3.23Å; I423-G500 VanDerWaalsContact O-N 3.15Å; I423-Y502 HydrophobicContact CB-CD2 4.34Å; I423-Y502 HydrophobicContact CB-CE2 3.92Å; I423-Y502 HydrophobicContact CG1-CD2 3.76Å; I423-Y502 HydrophobicContact CG1-CE2 3.65Å; I423-P524 HydrophobicContact CD1-CG 4.08Å |
| 424 | M | 92 | Very high | 95.3 | Very high | 113 Ų | 113 | 31.4 Ų | 31.4 | 56% | 0.557 | 17% | 0.166 | S | C | * | . | trans | -103.7 | -20.9 | -170.6 | -57.9 | -57.5 | -62.9 | 0 | 0 | 113.7 | D422 V499 | D422-M424 HydrophobicContact CB-SD 4.46Å; M424-V499 WeakPolarHBondContact O-CG2 3.37Å | ||
| 425 | N | 90.8 | Very high | 95.3 | Very high | 78 Ų | 78 | 31 Ų | 31 | 42% | 0.417 | 16% | 0.164 | S | C | . | . | S | Bend | trans | -129.2 | 149.6 | 176.2 | -39.3 | -78.3 | 0 | 0 | 0 | 110.4 | I423 D428 | I423-N425 WeakPolarHBondContact CG2-O 3.46Å; N425-D428 PolarHBondContact N-OD2 3.47Å; N425-D428 PolarHBondContact ND2-OD2 3.25Å |
| 426 | D | 88.1 | Confident | 95.2 | Very high | 102 Ų | 102 | 27.1 Ų | 27.1 | 55% | 0.545 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | 145.6 | 173.7 | -70 | -42.9 | 0 | 0 | 0 | 111.2 | D428 T498 V499 | D426-D428 PolarHBondContact O-N 3.02Å; D426-T498 VanDerWaalsContact OD1-CA 3.29Å; D426-T498 WeakPolarHBondContact OD1-CA 3.35Å; D426-T498 WeakPolarHBondContact OD1-CB 3.39Å; D426-V499 PolarHBondContact OD1-N 3.42Å |
| 427 | S | 88.9 | Confident | 95.1 | Very high | 83 Ų | 83 | 29.5 Ų | 29.5 | 58% | 0.58 | 16% | 0.156 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 68.2 | 14.9 | -178.3 | -48.2 | 0 | 0 | 0 | 0 | 115 | E429 L497 | S427-E429 PolarHBondContact O-N 3.24Å; S427-L497 WeakPolarHBondContact CA-O 3.12Å; S427-L497 PolarHBondContact N-O 3.45Å |
| 428 | D | 92 | Very high | 94.9 | Very high | 35 Ų | 35 | 30.9 Ų | 30.9 | 19% | 0.187 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 129.6 | 168.3 | -86.1 | -17 | 0 | 0 | 0 | 109.4 | I423 N425 D426 L497 P524 | I423-D428 HydrophobicContact CG2-CB 3.9Å; N425-D428 PolarHBondContact N-OD2 3.47Å; N425-D428 PolarHBondContact ND2-OD2 3.25Å; D426-D428 PolarHBondContact O-N 3.02Å; D428-L497 PolarHBondContact N-O 3.38Å; D428-L497 PolarHBondContact O-N 2.75Å; D428-P524 HydrophobicContact CB-CG 3.63Å |
| 429 | E | 93.2 | Very high | 94.5 | Very high | 31 Ų | 31 | 35.2 Ų | 35.2 | 15% | 0.145 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 143.8 | 179.8 | -166.8 | 175.5 | 166.9 | 0 | 0 | 110.3 | W389 S427 R494 E495 R496 | W389-E429 HydrophobicContact CH2-CB 3.93Å; W389-E429 HydrophobicContact CH2-CG 3.98Å; W389-E429 WeakPolarHBondContact CZ3-O 3.36Å; S427-E429 PolarHBondContact O-N 3.24Å; E429-R494 IonicContact OE1-CZ 3.75Å; E429-R494 IonicContact OE1-NE 3.44Å; E429-R494 PolarHBondContact OE1-NE 2.78Å; E429-R494 IonicContact OE1-NH2 3.31Å; E429-R494 PolarHBondContact OE1-NH2 2.77Å; E429-E495 WeakPolarHBondContact CA-O 3.28Å; E429-R496 HydrophobicContact CB-CG 4.2Å; E429-R496 HydrophobicContact CG-CG 4.22Å |
| 430 | V | 96 | Very high | 94.2 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 150 | 173.6 | -59.5 | 0 | 0 | 0 | 0 | 111.1 | F421 I423 L432 R494 E495 L497 L523 | F421-V430 HydrophobicContact CE2-CG1 4.12Å; F421-V430 HydrophobicContact CZ-CG1 4.27Å; I423-V430 HydrophobicContact CD1-CG1 3.81Å; V430-L432 HydrophobicContact CB-CD2 4.04Å; V430-L432 HydrophobicContact CG2-CD2 4.1Å; V430-L432 HydrophobicContact CG2-CG 4.27Å; V430-R494 WeakPolarHBondContact O-CA 3.36Å; V430-E495 HydrophobicContact CG2-CB 4.38Å; V430-E495 PolarHBondContact N-O 3.13Å; V430-E495 PolarHBondContact O-N 3.46Å; V430-L497 HydrophobicContact CB-CD1 4.41Å; V430-L497 HydrophobicContact CG1-CD1 3.86Å; V430-L497 HydrophobicContact CG1-CG 4.47Å; V430-L497 HydrophobicContact CG2-CD1 3.62Å; V430-L497 HydrophobicContact CG2-CG 4Å; V430-L523 HydrophobicContact CB-CD2 4.28Å; V430-L523 HydrophobicContact CG1-CD2 3.87Å |
| 431 | L | 96.4 | Very high | 93.8 | Very high | 6 Ų | 6 | 37.8 Ų | 37.8 | 3% | 0.031 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 114.8 | 173.4 | -171.7 | 74.9 | 0 | 0 | 0 | 108.8 | V193 P376 L492 I493 R494 Y522 | V193-L431 HydrophobicContact CB-CD2 3.85Å; V193-L431 HydrophobicContact CG1-CD1 4.4Å; V193-L431 HydrophobicContact CG1-CD2 3.71Å; V193-L431 HydrophobicContact CG1-CG 4.06Å; V193-L431 HydrophobicContact CG2-CD2 3.93Å; P376-L431 HydrophobicContact CG-CD2 3.62Å; L431-L492 HydrophobicContact CD1-CD1 3.51Å; L431-L492 HydrophobicContact CD1-CD2 3.85Å; L431-L492 HydrophobicContact CD1-CG 3.95Å; L431-L492 HydrophobicContact CG-CD1 3.75Å; L431-I493 WeakPolarHBondContact CA-O 3.44Å; L431-R494 HydrophobicContact CD1-CB 3.84Å; L431-R494 HydrophobicContact CD1-CG 3.95Å; L431-Y522 HydrophobicContact CB-CD2 4.29Å; L431-Y522 HydrophobicContact CD2-CD2 4.1Å; L431-Y522 HydrophobicContact CG-CD2 4.37Å; L431-Y522 PolarHBondContact N-O 3.35Å; L431-Y522 VanDerWaalsContact N-O 3.09Å; L431-Y522 WeakPolarHBondContact O-CD2 3.25Å; L431-Y522 PolarHBondContact O-N 2.61Å |
| 432 | L | 97.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 104.2 | -173.4 | -38.4 | 176.6 | 0 | 0 | 0 | 108.7 | F421 V430 L458 L460 L492 I493 V504 L521 L523 | F421-L432 HydrophobicContact CE1-CD2 4.09Å; F421-L432 HydrophobicContact CZ-CD2 4.32Å; V430-L432 HydrophobicContact CB-CD2 4.04Å; V430-L432 HydrophobicContact CG2-CD2 4.1Å; V430-L432 HydrophobicContact CG2-CG 4.27Å; L432-L458 HydrophobicContact CB-CD2 3.82Å; L432-L458 WeakPolarHBondContact O-CD2 3.27Å; L432-L460 HydrophobicContact CD1-CB 4.38Å; L432-L460 HydrophobicContact CD1-CD1 3.88Å; L432-L460 HydrophobicContact CD1-CD2 4Å; L432-L460 HydrophobicContact CD1-CG 4.31Å; L432-L492 CarbonylContact O-C 3.58Å; L432-L492 WeakPolarHBondContact O-CA 3.38Å; L432-L492 WeakPolarHBondContact O-CD1 3.48Å; L432-I493 HydrophobicContact CB-CB 4.23Å; L432-I493 HydrophobicContact CD1-CB 4.23Å; L432-I493 HydrophobicContact CD1-CG2 4.24Å; L432-I493 HydrophobicContact CG-CB 4.39Å; L432-I493 PolarHBondContact N-O 3.4Å; L432-I493 PolarHBondContact O-N 3.46Å; L432-V504 HydrophobicContact CD1-CG2 3.91Å; L432-L521 HydrophobicContact CB-CD2 3.89Å; L432-L521 HydrophobicContact CD2-CB 4.34Å; L432-L521 HydrophobicContact CD2-CD2 3.77Å; L432-L521 HydrophobicContact CG-CD2 4.34Å; L432-L523 HydrophobicContact CD2-CD2 4.19Å |
| 433 | S | 96.5 | Very high | 93 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 121.4 | -178 | 175.7 | 0 | 0 | 0 | 0 | 110.2 | C491 R520 | S433-C491 WeakPolarHBondContact CA-O 3.21Å; S433-R520 PolarHBondContact N-O 3.06Å; S433-R520 PolarHBondContact O-N 3.32Å; S433-R520 PolarHBondContact OG-NH2 3.21Å |
| 434 | L | 97.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 130.3 | 171.5 | 177.2 | 65.3 | 0 | 0 | 0 | 109.2 | W398 I456 G457 L458 V490 C491 P506 Y517 L519 | W398-L434 HydrophobicContact CH2-CD1 4.23Å; W398-L434 HydrophobicContact CH2-CD2 4.08Å; W398-L434 HydrophobicContact CZ2-CD2 4.2Å; L434-I456 HydrophobicContact CD2-CB 4.34Å; L434-I456 HydrophobicContact CD2-CD1 4.02Å; L434-I456 HydrophobicContact CG-CD1 3.99Å; L434-G457 VanDerWaalsContact CD2-O 3.24Å; L434-G457 WeakPolarHBondContact CD2-O 3.14Å; L434-L458 HydrophobicContact CB-CD1 4.35Å; L434-L458 HydrophobicContact CB-CD2 4.28Å; L434-L458 HydrophobicContact CD2-CB 4.49Å; L434-L458 HydrophobicContact CD2-CD1 4.31Å; L434-V490 WeakPolarHBondContact O-CA 3.29Å; L434-C491 HydrophobicContact CB-CB 4.24Å; L434-C491 PolarHBondContact N-O 3.15Å; L434-C491 PolarHBondContact O-N 3.14Å; L434-P506 HydrophobicContact CD1-CB 3.79Å; L434-P506 HydrophobicContact CD2-CB 3.77Å; L434-P506 HydrophobicContact CG-CB 4.41Å; L434-Y517 HydrophobicContact CD1-CD2 3.62Å; L434-Y517 HydrophobicContact CD1-CE2 4.45Å; L434-Y517 HydrophobicContact CD1-CG 3.87Å; L434-L519 HydrophobicContact CB-CD1 4.2Å; L434-L519 HydrophobicContact CD1-CB 4.4Å; L434-L519 HydrophobicContact CD1-CD1 4.24Å |
| 435 | V | 95.7 | Very high | 92.5 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 117.3 | 177.2 | -175.7 | 0 | 0 | 0 | 0 | 109.4 | M187 R489 Y517 L518 | M187-V435 HydrophobicContact CE-CG2 3.92Å; M187-V435 HydrophobicContact SD-CG1 4.22Å; M187-V435 HydrophobicContact SD-CG2 3.7Å; V435-R489 CarbonylContact C-O 3.56Å; V435-R489 WeakPolarHBondContact CA-O 3.5Å; V435-Y517 CarbonylContact O-C 3.37Å; V435-Y517 WeakPolarHBondContact O-CA 3.08Å; V435-Y517 WeakPolarHBondContact O-CB 3.34Å; V435-L518 HydrophobicContact CB-CB 4.45Å; V435-L518 PolarHBondContact N-O 3.21Å; V435-L518 PolarHBondContact O-N 3.25Å |
| 436 | R | 94.5 | Very high | 92.4 | Very high | 16 Ų | 16 | 43.2 Ų | 43.2 | 6% | 0.06 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 133.2 | 168.6 | -170.5 | 179.1 | 70.8 | 143.2 | 17.1 | 108.8 | D450 L454 I456 R489 A515 | R436-D450 IonicContact CZ-OD2 3.68Å; R436-D450 IonicContact NH1-OD2 3.79Å; R436-D450 IonicContact NH2-OD2 2.74Å; R436-D450 PolarHBondContact NH2-OD2 3.31Å; R436-L454 PolarHBondContact NH1-O 2.64Å; R436-I456 HydrophobicContact CB-CD1 4.08Å; R436-I456 HydrophobicContact CB-CG2 4.22Å; R436-I456 HydrophobicContact CG-CG2 4.36Å; R436-R489 HydrophobicContact CB-CB 4.46Å; R436-R489 HydrophobicContact CB-CG 4.47Å; R436-R489 PolarHBondContact N-O 3Å; R436-R489 PolarHBondContact O-NH1 3.41Å; R436-R489 PolarHBondContact O-NH2 3.33Å; R436-A515 HydrophobicContact CG-CB 4.3Å |
| 437 | K | 94.3 | Very high | 92.6 | Very high | 50 Ų | 50 | 39.6 Ų | 39.6 | 22% | 0.217 | 22% | 0.215 | C | C | . | . | P | Polyproline II helix | trans | -82.5 | 153.6 | 178.2 | -62.1 | -173.3 | 178.8 | 178.1 | 0 | 111.4 | E128 H395 R489 A516 Y517 | E128-K437 HydrophobicContact CB-CD 4.45Å; E128-K437 HydrophobicContact CB-CG 4.16Å; E128-K437 HydrophobicContact CG-CB 4.21Å; E128-K437 HydrophobicContact CG-CG 3.9Å; E128-K437 VanDerWaalsContact OE1-CA 3.28Å; E128-K437 WeakPolarHBondContact OE1-CA 3.27Å; H395-K437 WeakPolarHBondContact ND1-CE 3.48Å; H395-K437 PolarHBondContact ND1-NZ 2.75Å; K437-R489 VanDerWaalsContact C-NH1 3.31Å; K437-A516 HydrophobicContact CB-CB 4.11Å; K437-A516 HydrophobicContact CD-CB 4.02Å; K437-A516 HydrophobicContact CG-CB 4.35Å; K437-A516 PolarHBondContact N-O 3Å; K437-Y517 WeakPolarHBondContact CE-O 3.36Å |
| 438 | Y | 92.2 | Very high | 92.6 | Very high | 46 Ų | 46 | 40.2 Ų | 40.2 | 18% | 0.18 | 21% | 0.208 | C | C | . | . | P | Polyproline II helix | trans | -71.1 | 145.9 | 167.1 | -70.9 | -66.4 | 0 | 0 | 0 | 108.8 | E128 I447 | E128-Y438 WeakPolarHBondContact OE1-CD2 3.41Å; E128-Y438 PolarHBondContact OE1-N 3.3Å; Y438-I447 HydrophobicContact CD1-CD1 4.08Å; Y438-I447 HydrophobicContact CD1-CG1 4.38Å; Y438-I447 HydrophobicContact CD1-CG2 3.63Å; Y438-I447 HydrophobicContact CD2-CD1 3.49Å; Y438-I447 VanDerWaalsContact CD2-CD1 3.49Å; Y438-I447 HydrophobicContact CD2-CG1 4.04Å; Y438-I447 HydrophobicContact CE1-CD1 4.26Å; Y438-I447 HydrophobicContact CE1-CG2 4.33Å; Y438-I447 HydrophobicContact CE2-CD1 3.7Å; Y438-I447 HydrophobicContact CG-CD1 3.71Å; Y438-I447 HydrophobicContact CG-CG1 3.87Å; Y438-I447 HydrophobicContact CG-CG2 3.9Å |
| 439 | N | 91.2 | Very high | 92.1 | Very high | 91 Ų | 91 | 44 Ų | 44 | 49% | 0.487 | 24% | 0.235 | S | C | . | . | P | Polyproline II helix | trans | -71.5 | 129.9 | 160.6 | -65 | -28.9 | 0 | 0 | 0 | 107.1 | I447 E448 | N439-I447 WeakPolarHBondContact O-CA 3.25Å; N439-E448 HydrophobicContact CB-CB 4.15Å; N439-E448 PolarHBondContact O-N 3.2Å |
| 440 | R | 91.6 | Very high | 91.3 | Very high | 34 Ų | 34 | 46.3 Ų | 46.3 | 13% | 0.128 | 25% | 0.248 | C | C | . | . | B | Isolated β-bridge | trans | -134.1 | 146.2 | -175.8 | -64.2 | 178.7 | -174.4 | -88.9 | -0.6 | 110.4 | E128 M445 V446 I447 | E128-R440 IonicContact OE1-NH2 3.05Å; E128-R440 IonicContact OE2-CZ 2.98Å; E128-R440 IonicContact OE2-NE 2.64Å; E128-R440 PolarHBondContact OE2-NE 3.04Å; E128-R440 VanDerWaalsContact OE2-NE 3.14Å; E128-R440 IonicContact OE2-NH2 2.95Å; E128-R440 PolarHBondContact OE2-NH2 2.89Å; R440-M445 PolarHBondContact NH1-O 3.16Å; R440-V446 CarbonylContact C-O 3.51Å; R440-V446 WeakPolarHBondContact CA-O 3.14Å; R440-I447 HydrophobicContact CG-CG1 4.35Å |
| 441 | D | 90.8 | Very high | 90.3 | Very high | 56 Ų | 56 | 53.7 Ų | 53.7 | 30% | 0.299 | 29% | 0.287 | S | S | . | . | trans | -63.9 | 123.7 | 164.1 | 171.7 | -109.4 | 0 | 0 | 0 | 109.4 | L443 T444 M445 V446 | D441-L443 PolarHBondContact O-N 3.12Å; D441-L443 PolarHBondContact OD1-N 2.77Å; D441-T444 WeakPolarHBondContact CB-OG1 3.44Å; D441-T444 VanDerWaalsContact OD1-CB 3.29Å; D441-T444 WeakPolarHBondContact OD1-CB 3.37Å; D441-T444 WeakPolarHBondContact OD1-CG2 3.48Å; D441-T444 PolarHBondContact OD1-N 3.08Å; D441-T444 PolarHBondContact OD1-OG1 2.91Å; D441-M445 WeakPolarHBondContact O-CA 3.41Å; D441-M445 PolarHBondContact O-N 3.04Å; D441-V446 PolarHBondContact N-O 3.16Å | ||
| 442 | P | 88.5 | Confident | 89.5 | Confident | 107 Ų | 107 | 59.6 Ų | 59.6 | 70% | 0.695 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -16.8 | -172.1 | 25.9 | -35.5 | 0 | 0 | 0 | 114.4 | M445 | P442-M445 WeakPolarHBondContact O-CE 3.35Š|
| 443 | L | 88.1 | Confident | 88.7 | Confident | 123 Ų | 123 | 62.9 Ų | 62.9 | 64% | 0.644 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.5 | -45.7 | -178.4 | 179.9 | 62.8 | 0 | 0 | 0 | 112.5 | N11 D441 | N11-L443 PolarHBondContact ND2-O 3.49Å; N11-L443 VanDerWaalsContact ND2-O 3.08Å; D441-L443 PolarHBondContact O-N 3.12Å; D441-L443 PolarHBondContact OD1-N 2.77Å |
| 444 | T | 87.4 | Confident | 88.3 | Confident | 42 Ų | 42 | 65.8 Ų | 65.8 | 26% | 0.258 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | -17.6 | -175.7 | 64.3 | 0 | 0 | 0 | 0 | 112.9 | R10 D441 V446 | R10-T444 WeakPolarHBondContact CA-O 3.48Å; R10-T444 PolarHBondContact N-O 3.4Å; R10-T444 VanDerWaalsContact N-O 3.09Å; D441-T444 WeakPolarHBondContact CB-OG1 3.44Å; D441-T444 VanDerWaalsContact OD1-CB 3.29Å; D441-T444 WeakPolarHBondContact OD1-CB 3.37Å; D441-T444 WeakPolarHBondContact OD1-CG2 3.48Å; D441-T444 PolarHBondContact OD1-N 3.08Å; D441-T444 PolarHBondContact OD1-OG1 2.91Å; T444-V446 PolarHBondContact O-N 3.26Å; T444-V446 WeakPolarHBondContact OG1-CG2 3.16Å; T444-V446 PolarHBondContact OG1-N 2.75Å |
| 445 | M | 91 | Very high | 88.2 | Confident | 52 Ų | 52 | 66.5 Ų | 66.5 | 26% | 0.256 | 36% | 0.36 | S | S | . | . | trans | 63.8 | 13.8 | -173.9 | -56.7 | -71.3 | 174.8 | 0 | 0 | 114.6 | V7 F9 F132 R440 D441 P442 | V7-M445 HydrophobicContact CG1-CG 4.08Å; F9-M445 HydrophobicContact CD2-CB 4.38Å; F132-M445 HydrophobicContact CE1-CB 3.75Å; F132-M445 HydrophobicContact CE1-CG 4.07Å; R440-M445 PolarHBondContact NH1-O 3.16Å; D441-M445 WeakPolarHBondContact O-CA 3.41Å; D441-M445 PolarHBondContact O-N 3.04Å; P442-M445 WeakPolarHBondContact O-CE 3.35Å | ||
| 446 | V | 90.3 | Very high | 88.1 | Confident | 34 Ų | 34 | 66.6 Ų | 66.6 | 21% | 0.206 | 36% | 0.361 | C | S | . | . | P | Polyproline II helix | trans | -65.5 | 137 | 175.4 | 173.8 | 0 | 0 | 0 | 0 | 109.8 | F9 R10 R440 D441 T444 | F9-V446 HydrophobicContact CZ-CG2 4.13Å; R10-V446 HydrophobicContact CG-CG2 3.86Å; R10-V446 VanDerWaalsContact NE-CG2 3.29Å; R440-V446 CarbonylContact C-O 3.51Å; R440-V446 WeakPolarHBondContact CA-O 3.14Å; D441-V446 PolarHBondContact N-O 3.16Å; T444-V446 PolarHBondContact O-N 3.26Å; T444-V446 WeakPolarHBondContact OG1-CG2 3.16Å; T444-V446 PolarHBondContact OG1-N 2.75Å |
| 447 | I | 91.9 | Very high | 88.2 | Confident | 26 Ų | 26 | 65.9 Ų | 65.9 | 13% | 0.133 | 36% | 0.358 | C | S | . | . | B | Isolated β-bridge | trans | -71.9 | 127.2 | 176.9 | -64.1 | 170.2 | 0 | 0 | 0 | 109.2 | L171 Y438 N439 R440 | L171-I447 HydrophobicContact CD2-CD1 4.08Å; Y438-I447 HydrophobicContact CD1-CD1 4.08Å; Y438-I447 HydrophobicContact CD1-CG1 4.38Å; Y438-I447 HydrophobicContact CD1-CG2 3.63Å; Y438-I447 HydrophobicContact CD2-CD1 3.49Å; Y438-I447 VanDerWaalsContact CD2-CD1 3.49Å; Y438-I447 HydrophobicContact CD2-CG1 4.04Å; Y438-I447 HydrophobicContact CE1-CD1 4.26Å; Y438-I447 HydrophobicContact CE1-CG2 4.33Å; Y438-I447 HydrophobicContact CE2-CD1 3.7Å; Y438-I447 HydrophobicContact CG-CD1 3.71Å; Y438-I447 HydrophobicContact CG-CG1 3.87Å; Y438-I447 HydrophobicContact CG-CG2 3.9Å; N439-I447 WeakPolarHBondContact O-CA 3.25Å; R440-I447 HydrophobicContact CG-CG1 4.35Å |
| 448 | E | 89 | Confident | 88.4 | Confident | 96 Ų | 96 | 63.5 Ų | 63.5 | 45% | 0.449 | 35% | 0.347 | S | S | . | . | P | Polyproline II helix | trans | -76.7 | 143.9 | 172.9 | -63.3 | -179 | 165.4 | 0 | 0 | 110.3 | N439 D450 | N439-E448 HydrophobicContact CB-CB 4.15Å; N439-E448 PolarHBondContact O-N 3.2Å; E448-D450 PolarHBondContact O-N 2.99Å |
| 449 | P | 80.1 | Confident | 88.7 | Confident | 115 Ų | 115 | 61.3 Ų | 61.3 | 75% | 0.747 | 34% | 0.339 | S | S | * | . | P | Polyproline II helix | trans | -58.7 | 122.6 | 177.6 | -23.6 | 33.4 | 0 | 0 | 0 | 112.5 | ||
| 450 | D | 77.8 | Confident | 89 | Confident | 78 Ų | 78 | 57 Ų | 57 | 42% | 0.417 | 32% | 0.316 | S | S | . | . | trans | -100.1 | 109.2 | 171.3 | -175.1 | 6.6 | 0 | 0 | 0 | 109.3 | R436 E448 N452 | R436-D450 IonicContact CZ-OD2 3.68Å; R436-D450 IonicContact NH1-OD2 3.79Å; R436-D450 IonicContact NH2-OD2 2.74Å; R436-D450 PolarHBondContact NH2-OD2 3.31Å; E448-D450 PolarHBondContact O-N 2.99Å; D450-N452 VanDerWaalsContact OD1-C 3.31Å; D450-N452 PolarHBondContact OD1-N 3.44Å; D450-N452 VanDerWaalsContact OD1-N 3.14Å | ||
| 451 | L | 74.3 | Confident | 89.3 | Confident | 156 Ų | 156 | 55.4 Ų | 55.4 | 82% | 0.817 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -83.2 | -21.8 | 179.9 | -66.6 | 173.6 | 0 | 0 | 0 | 112.7 | ||
| 452 | N | 79.7 | Confident | 89.7 | Confident | 130 Ų | 130 | 54.4 Ų | 54.4 | 70% | 0.695 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -139.5 | 85.7 | -171.9 | -76.9 | -26.3 | 0 | 0 | 0 | 109.8 | D450 L454 | D450-N452 VanDerWaalsContact OD1-C 3.31Å; D450-N452 PolarHBondContact OD1-N 3.44Å; D450-N452 VanDerWaalsContact OD1-N 3.14Å; N452-L454 PolarHBondContact O-N 2.9Å |
| 453 | P | 80 | Confident | 90.1 | Very high | 69 Ų | 69 | 49.4 Ų | 49.4 | 45% | 0.448 | 27% | 0.27 | S | S | . | . | trans | -65.2 | 103.2 | -178.1 | 26.2 | -33.4 | 0 | 0 | 0 | 111.2 | S455 | P453-S455 PolarHBondContact O-N 3.3Š| ||
| 454 | L | 89.5 | Confident | 90.6 | Very high | 60 Ų | 60 | 43.6 Ų | 43.6 | 31% | 0.314 | 24% | 0.24 | S | C | . | . | trans | -53.7 | 129 | 167.2 | -53.9 | 173.6 | 0 | 0 | 0 | 112.9 | R436 N452 M508 A515 | R436-L454 PolarHBondContact NH1-O 2.64Å; N452-L454 PolarHBondContact O-N 2.9Å; L454-M508 HydrophobicContact CB-SD 4.05Å; L454-M508 HydrophobicContact CD1-SD 3.79Å; L454-A515 HydrophobicContact CD1-CB 4.25Å | ||
| 455 | S | 93.8 | Very high | 91 | Very high | 15 Ų | 15 | 43 Ų | 43 | 11% | 0.105 | 24% | 0.235 | C | C | . | . | trans | -74.7 | 138.1 | 175.9 | -53.8 | 0 | 0 | 0 | 0 | 113.1 | P453 R486 M508 E509 | P453-S455 PolarHBondContact O-N 3.3Å; S455-R486 CarbonylContact C-O 3.55Å; S455-R486 WeakPolarHBondContact CA-O 3.48Å; S455-R486 VanDerWaalsContact CB-C 3.47Å; S455-R486 WeakPolarHBondContact CB-O 3.48Å; S455-M508 WeakPolarHBondContact O-CA 3.37Å; S455-E509 WeakPolarHBondContact CB-OE2 3.3Å; S455-E509 PolarHBondContact O-N 3.27Å; S455-E509 PolarHBondContact OG-OE2 3.2Å | ||
| 456 | I | 95.2 | Very high | 91.3 | Very high | 3 Ų | 3 | 42.1 Ų | 42.1 | 2% | 0.015 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 152 | 176.3 | 55.8 | 151.8 | 0 | 0 | 0 | 111.4 | W398 L434 R436 S485 R486 Y488 R489 C491 F507 M508 | W398-I456 HydrophobicContact CH2-CB 4.26Å; W398-I456 HydrophobicContact CH2-CG2 3.54Å; W398-I456 HydrophobicContact CZ2-CG2 4.38Å; W398-I456 HydrophobicContact CZ3-CG2 3.77Å; L434-I456 HydrophobicContact CD2-CB 4.34Å; L434-I456 HydrophobicContact CD2-CD1 4.02Å; L434-I456 HydrophobicContact CG-CD1 3.99Å; R436-I456 HydrophobicContact CB-CD1 4.08Å; R436-I456 HydrophobicContact CB-CG2 4.22Å; R436-I456 HydrophobicContact CG-CG2 4.36Å; I456-S485 VanDerWaalsContact O-CA 3.27Å; I456-S485 WeakPolarHBondContact O-CA 3.42Å; I456-R486 PolarHBondContact N-O 3.36Å; I456-R486 PolarHBondContact O-N 2.77Å; I456-Y488 VanDerWaalsContact CG1-O 3.26Å; I456-Y488 WeakPolarHBondContact CG1-O 3.17Å; I456-R489 WeakPolarHBondContact CD1-O 3.32Å; I456-C491 HydrophobicContact CD1-CB 4.31Å; I456-F507 WeakPolarHBondContact CA-O 3.09Å; I456-M508 HydrophobicContact CG2-CG 3.99Å |
| 457 | G | 96.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 175.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | L434 F507 | L434-G457 VanDerWaalsContact CD2-O 3.24Å; L434-G457 WeakPolarHBondContact CD2-O 3.14Å; G457-F507 PolarHBondContact N-O 3.34Å; G457-F507 PolarHBondContact O-N 3.27Å |
| 458 | L | 97.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 131.9 | -175.8 | -169 | 62.2 | 0 | 0 | 0 | 110.1 | L432 L434 V482 E483 C491 I493 V504 P506 F507 L519 | L432-L458 HydrophobicContact CB-CD2 3.82Å; L432-L458 WeakPolarHBondContact O-CD2 3.27Å; L434-L458 HydrophobicContact CB-CD1 4.35Å; L434-L458 HydrophobicContact CB-CD2 4.28Å; L434-L458 HydrophobicContact CD2-CB 4.49Å; L434-L458 HydrophobicContact CD2-CD1 4.31Å; L458-V482 WeakPolarHBondContact O-CA 3.08Å; L458-E483 PolarHBondContact N-O 3.25Å; L458-E483 PolarHBondContact O-N 3.17Å; L458-C491 WeakPolarHBondContact CB-SG 3.41Å; L458-I493 HydrophobicContact CB-CD1 3.95Å; L458-I493 HydrophobicContact CB-CG1 4.32Å; L458-I493 HydrophobicContact CD2-CB 4.43Å; L458-I493 HydrophobicContact CD2-CD1 3.95Å; L458-I493 HydrophobicContact CD2-CG1 4Å; L458-I493 HydrophobicContact CG-CD1 3.76Å; L458-I493 HydrophobicContact CG-CG1 4.29Å; L458-I493 WeakPolarHBondContact O-CD1 3.34Å; L458-V504 HydrophobicContact CD1-CG1 3.56Å; L458-V504 HydrophobicContact CG-CG1 4.25Å; L458-P506 HydrophobicContact CD1-CB 4.04Å; L458-F507 VanDerWaalsContact C-CE1 3.44Å; L458-L519 HydrophobicContact CD1-CD1 4.01Å; L458-L519 HydrophobicContact CD2-CD1 4.43Å |
| 459 | G | 98.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 136.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | V504 V505 | G459-V504 CarbonylContact O-C 3.12Å; G459-V504 VanDerWaalsContact O-CA 3.3Å; G459-V504 WeakPolarHBondContact O-CA 3.48Å; G459-V505 PolarHBondContact N-O 3.43Å; G459-V505 PolarHBondContact O-N 2.8Å |
| 460 | L | 98.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 122.8 | 172.7 | 178 | 63.4 | 0 | 0 | 0 | 109.4 | F421 L432 I480 H481 I493 E495 L497 Y502 L503 V504 | F421-L460 HydrophobicContact CE1-CD1 4.37Å; F421-L460 HydrophobicContact CZ-CD1 4.16Å; L432-L460 HydrophobicContact CD1-CB 4.38Å; L432-L460 HydrophobicContact CD1-CD1 3.88Å; L432-L460 HydrophobicContact CD1-CD2 4Å; L432-L460 HydrophobicContact CD1-CG 4.31Å; L460-I480 HydrophobicContact CD2-CB 4.32Å; L460-I480 HydrophobicContact CD2-CG2 3.97Å; L460-I480 HydrophobicContact CG-CB 4.1Å; L460-I480 HydrophobicContact CG-CG2 4.31Å; L460-I480 WeakPolarHBondContact O-CB 3.1Å; L460-I480 PolarHBondContact O-N 3.28Å; L460-H481 HydrophobicContact CB-CB 4.36Å; L460-H481 PolarHBondContact N-O 3.06Å; L460-H481 PolarHBondContact O-N 3.48Å; L460-H481 VanDerWaalsContact O-N 3.16Å; L460-I493 HydrophobicContact CB-CD1 3.97Å; L460-I493 HydrophobicContact CD2-CG2 4.02Å; L460-E495 HydrophobicContact CD2-CB 4.36Å; L460-E495 HydrophobicContact CD2-CG 4.35Å; L460-L497 HydrophobicContact CD2-CD1 4.38Å; L460-L497 HydrophobicContact CD2-CD2 4.1Å; L460-Y502 HydrophobicContact CD1-CD1 4.21Å; L460-Y502 HydrophobicContact CD1-CG 4.47Å; L460-L503 WeakPolarHBondContact CA-O 3.48Å; L460-V504 HydrophobicContact CD1-CG2 4Å |
| 461 | F | 98.5 | Very high | 93.4 | Very high | 1 Ų | 1 | 30.7 Ų | 30.7 | 0% | 0.004 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 149.4 | -176.9 | -49.2 | -92.7 | 0 | 0 | 0 | 110.8 | L407 F413 C477 Q478 V479 V482 Y502 L503 V505 | L407-F461 HydrophobicContact CD2-CZ 4.31Å; F413-F461 AromaticContact CE1-CE2 3.83Å; F413-F461 HydrophobicContact CE1-CE2 3.83Å; F413-F461 AromaticContact CE1-CZ 3.66Å; F413-F461 HydrophobicContact CE1-CZ 3.66Å; F413-F461 HydrophobicContact CZ-CE2 4Å; F413-F461 AromaticContact CZ-CZ 3.79Å; F413-F461 HydrophobicContact CZ-CZ 3.79Å; F461-C477 HydrophobicContact CB-CB 3.93Å; F461-C477 HydrophobicContact CD1-CB 3.89Å; F461-C477 HydrophobicContact CG-CB 4.03Å; F461-Q478 CarbonylContact C-O 3.52Å; F461-Q478 WeakPolarHBondContact CA-O 3.21Å; F461-V479 HydrophobicContact CD1-CB 4.4Å; F461-V479 HydrophobicContact CD1-CG2 4.07Å; F461-V479 HydrophobicContact CE1-CG1 4.42Å; F461-V479 HydrophobicContact CE1-CG2 3.98Å; F461-V482 HydrophobicContact CE1-CG2 4.31Å; F461-V482 HydrophobicContact CZ-CG2 4.2Å; F461-Y502 CarbonylContact O-C 3.5Å; F461-Y502 VanDerWaalsContact O-CA 3.23Å; F461-Y502 WeakPolarHBondContact O-CA 3.38Å; F461-L503 HydrophobicContact CB-CB 4.35Å; F461-L503 PolarHBondContact N-O 2.74Å; F461-L503 PolarHBondContact O-N 2.67Å; F461-V505 HydrophobicContact CD2-CG2 4.13Å; F461-V505 HydrophobicContact CE2-CB 4.2Å; F461-V505 HydrophobicContact CE2-CG2 3.92Å |
| 462 | K | 97.9 | Very high | 94.4 | Very high | 36 Ų | 36 | 25 Ų | 25 | 16% | 0.157 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 133.7 | 166.8 | -168.3 | 173.4 | -170.3 | 171.8 | 0 | 108.8 | Q478 I480 T498 V499 Y502 | K462-Q478 HydrophobicContact CB-CB 4.19Å; K462-Q478 PolarHBondContact N-O 2.74Å; K462-Q478 PolarHBondContact O-N 3.22Å; K462-I480 HydrophobicContact CB-CD1 3.98Å; K462-I480 HydrophobicContact CB-CG1 4.08Å; K462-T498 PolarHBondContact NZ-OG1 3.19Å; K462-V499 WeakPolarHBondContact CE-O 3.37Å; K462-V499 PolarHBondContact NZ-O 2.94Å; K462-Y502 HydrophobicContact CB-CD1 4.1Å; K462-Y502 HydrophobicContact CB-CE1 3.89Å; K462-Y502 HydrophobicContact CD-CE1 4.17Å; K462-Y502 HydrophobicContact CG-CD1 4.42Å; K462-Y502 HydrophobicContact CG-CE1 4.03Å |
| 463 | I | 97.6 | Very high | 95.1 | Very high | 2 Ų | 2 | 20.4 Ų | 20.4 | 1% | 0.01 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | -174.2 | -175.7 | 57.9 | 163.7 | 0 | 0 | 0 | 110.3 | N465 R467 R501 L503 F532 | I463-N465 PolarHBondContact O-N 2.88Å; I463-R467 HydrophobicContact CD1-CB 4.26Å; I463-R501 HydrophobicContact CD1-CG 3.91Å; I463-R501 HydrophobicContact CG1-CB 4.27Å; I463-R501 HydrophobicContact CG1-CG 3.8Å; I463-R501 PolarHBondContact N-O 2.92Å; I463-L503 HydrophobicContact CD1-CB 4.1Å; I463-L503 HydrophobicContact CG1-CB 4.31Å; I463-L503 HydrophobicContact CG2-CB 3.88Å; I463-L503 HydrophobicContact CG2-CD2 4.21Å; I463-F532 HydrophobicContact CD1-CE2 3.91Å; I463-F532 HydrophobicContact CD1-CZ 4.2Å |
| 464 | E | 97.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 10% | 0.099 | C | C | . | . | trans | -63.6 | 134.5 | 177.7 | -53.6 | 80.5 | 178.2 | 0 | 0 | 111.4 | N466 R467 R554 Y601 L603 | E464-N466 PolarHBondContact O-N 2.93Å; E464-R467 HydrophobicContact CB-CB 4.23Å; E464-R467 PolarHBondContact O-N 3.41Å; E464-R467 VanDerWaalsContact O-N 3.1Å; E464-R467 IonicContact OE1-CZ 2.71Å; E464-R467 IonicContact OE1-NH2 3.69Å; E464-R467 PolarHBondContact OE1-NH2 3.35Å; E464-R467 IonicContact OE2-CZ 2.9Å; E464-R467 VanDerWaalsContact OE2-CZ 3.3Å; E464-R467 IonicContact OE2-NE 3.73Å; E464-R467 PolarHBondContact OE2-NE 2.72Å; E464-R467 IonicContact OE2-NH2 3.81Å; E464-R467 PolarHBondContact OE2-NH2 3.46Å; E464-R554 HydrophobicContact CG-CG 4.26Å; E464-R554 WeakPolarHBondContact OE1-CD 3.35Å; E464-R554 IonicContact OE1-CZ 2.96Å; E464-R554 IonicContact OE1-NE 3.43Å; E464-R554 PolarHBondContact OE1-NE 3.42Å; E464-R554 IonicContact OE1-NH2 3.77Å; E464-Y601 CarbonylContact C-O 3.54Å; E464-Y601 VanDerWaalsContact CA-O 3.26Å; E464-Y601 WeakPolarHBondContact CA-O 3.39Å; E464-L603 HydrophobicContact CB-CB 4.16Å; E464-L603 HydrophobicContact CG-CB 4.15Å | ||
| 465 | N | 96.7 | Very high | 95.9 | Very high | 31 Ų | 31 | 19.8 Ų | 19.8 | 17% | 0.166 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -21.9 | -169.9 | -74.1 | -15.6 | 0 | 0 | 0 | 113.8 | I463 G500 R501 E600 Y601 F602 | I463-N465 PolarHBondContact O-N 2.88Å; N465-G500 WeakPolarHBondContact OD1-CA 3.39Å; N465-R501 PolarHBondContact O-NE 3.25Å; N465-R501 PolarHBondContact OD1-N 3.32Å; N465-E600 PolarHBondContact ND2-OE2 3.35Å; N465-Y601 PolarHBondContact N-O 3.45Å; N465-F602 HydrophobicContact CB-CD1 4.16Å; N465-F602 HydrophobicContact CB-CE1 3.84Å |
| 466 | N | 95.7 | Very high | 95.9 | Very high | 32 Ų | 32 | 20.4 Ų | 20.4 | 17% | 0.171 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -120.4 | 12.6 | -178.9 | 72.3 | -41.7 | 0 | 0 | 0 | 113.7 | E464 P468 V585 F602 L603 | E464-N466 PolarHBondContact O-N 2.93Å; N466-P468 VanDerWaalsContact O-CD 3.28Å; N466-P468 WeakPolarHBondContact O-CD 3.49Å; N466-V585 HydrophobicContact CB-CG1 3.83Å; N466-F602 VanDerWaalsContact OD1-CA 3.25Å; N466-F602 WeakPolarHBondContact OD1-CA 3.19Å; N466-L603 PolarHBondContact ND2-O 3.11Å; N466-L603 PolarHBondContact OD1-N 3.47Å |
| 467 | R | 95.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 12% | 0.122 | C | C | . | . | trans | -56.1 | 121.7 | -179.6 | 174.9 | 172.8 | -67.1 | -102.2 | 2.1 | 110.8 | I463 E464 V469 K470 R501 F532 L603 I681 | I463-R467 HydrophobicContact CD1-CB 4.26Å; E464-R467 HydrophobicContact CB-CB 4.23Å; E464-R467 PolarHBondContact O-N 3.41Å; E464-R467 VanDerWaalsContact O-N 3.1Å; E464-R467 IonicContact OE1-CZ 2.71Å; E464-R467 IonicContact OE1-NH2 3.69Å; E464-R467 PolarHBondContact OE1-NH2 3.35Å; E464-R467 IonicContact OE2-CZ 2.9Å; E464-R467 VanDerWaalsContact OE2-CZ 3.3Å; E464-R467 IonicContact OE2-NE 3.73Å; E464-R467 PolarHBondContact OE2-NE 2.72Å; E464-R467 IonicContact OE2-NH2 3.81Å; E464-R467 PolarHBondContact OE2-NH2 3.46Å; R467-V469 WeakPolarHBondContact CD-O 3.46Å; R467-V469 WeakPolarHBondContact CG-O 3.34Å; R467-K470 PolarHBondContact NH1-O 3.19Å; R467-K470 VanDerWaalsContact NH1-O 3.14Å; R467-R501 PolarHBondContact O-NH1 3.37Å; R467-F532 HydrophobicContact CG-CZ 4.21Å; R467-F532 WeakPolarHBondContact O-CE1 3.4Å; R467-F532 WeakPolarHBondContact O-CZ 3.14Å; R467-L603 HydrophobicContact CB-CD2 4.41Å; R467-L603 HydrophobicContact CG-CD2 4.12Å; R467-I681 PolarHBondContact NH1-O 2.85Å; R467-I681 PolarHBondContact NH1-OXT 2.9Å; R467-I681 PolarHBondContact NH2-OXT 3.45Å | ||
| 468 | P | 92.5 | Very high | 95.9 | Very high | 67 Ų | 67 | 25.1 Ų | 25.1 | 44% | 0.435 | 14% | 0.143 | S | C | . | . | trans | -98.5 | -5.1 | -176.4 | 35.7 | -32.5 | 0 | 0 | 0 | 114.5 | N466 Y605 | N466-P468 VanDerWaalsContact O-CD 3.28Å; N466-P468 WeakPolarHBondContact O-CD 3.49Å; P468-Y605 HydrophobicContact CG-CD2 4.41Å; P468-Y605 HydrophobicContact CG-CE2 4.05Å | ||
| 469 | V | 95.2 | Very high | 95.9 | Very high | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.006 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -136.1 | 174.8 | -171.6 | -65 | 0 | 0 | 0 | 0 | 110.8 | R467 F532 L534 P537 Y605 | R467-V469 WeakPolarHBondContact CD-O 3.46Å; R467-V469 WeakPolarHBondContact CG-O 3.34Å; V469-F532 WeakPolarHBondContact O-CE1 3.41Å; V469-L534 WeakPolarHBondContact CB-O 3.35Å; V469-L534 HydrophobicContact CG1-CB 4.17Å; V469-P537 HydrophobicContact CG1-CG 4.2Å; V469-Y605 HydrophobicContact CG2-CE2 4.27Å; V469-Y605 WeakPolarHBondContact CG2-OH 3.38Å |
| 470 | K | 96 | Very high | 95.8 | Very high | 41 Ų | 41 | 32 Ų | 32 | 18% | 0.178 | 18% | 0.182 | C | C | . | . | trans | -54.8 | 150.2 | 176 | -71.3 | -178.2 | 179.9 | 178.6 | 0 | 112.2 | R467 F532 L534 D535 | R467-K470 PolarHBondContact NH1-O 3.19Å; R467-K470 VanDerWaalsContact NH1-O 3.14Å; K470-F532 HydrophobicContact CB-CB 4.39Å; K470-F532 WeakPolarHBondContact CE-O 3.48Å; K470-F532 HydrophobicContact CG-CB 3.57Å; K470-L534 PolarHBondContact N-O 2.78Å; K470-D535 WeakPolarHBondContact CD-OD1 3.47Å | ||
| 471 | S | 95.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 19% | 0.193 | C | C | . | . | trans | -85.7 | 137.8 | 165.2 | -176.5 | 0 | 0 | 0 | 0 | 109.4 | Q418 C477 | Q418-S471 PolarHBondContact NE2-O 3.47Å; S471-C477 PolarHBondContact OG-SG 2.85Å | ||
| 472 | H | 94.1 | Very high | 95.7 | Very high | 37 Ų | 37 | 36.3 Ų | 36.3 | 17% | 0.171 | 21% | 0.205 | C | C | . | . | trans | -119.9 | -7.6 | 178.7 | -59.8 | -62.9 | 0 | 0 | 0 | 113.1 | D535 M679 | H472-D535 IonicContact CE1-OD1 3.14Å; H472-D535 PolarHBondContact CE1-OD1 2.9Å; H472-D535 VanDerWaalsContact CE1-OD1 3.3Å; H472-D535 PolarHBondContact NE2-O 3.46Å; H472-D535 VanDerWaalsContact NE2-O 3.16Å; H472-D535 IonicContact NE2-OD1 3.07Å; H472-M679 WeakPolarHBondContact CB-O 3.44Å; H472-M679 WeakPolarHBondContact CE1-CE 3.31Å; H472-M679 VanDerWaalsContact ND1-CE 3.32Å; H472-M679 WeakPolarHBondContact ND1-CE 3.42Å; H472-M679 WeakPolarHBondContact NE2-CE 3.43Å; H472-M679 PolarHBondContact NE2-SD 2.98Å | ||
| 473 | T | 94.1 | Very high | 95.6 | Very high | 33 Ų | 33 | 36.4 Ų | 36.4 | 20% | 0.202 | 21% | 0.206 | C | C | . | . | trans | -124.1 | 109.6 | -177.1 | -62 | 0 | 0 | 0 | 0 | 111.1 | A475 F476 N680 | T473-A475 HydrophobicContact CG2-CB 3.97Å; T473-A475 PolarHBondContact O-N 2.82Å; T473-A475 VanDerWaalsContact O-N 3.16Å; T473-F476 HydrophobicContact CG2-CD2 3.64Å; T473-F476 HydrophobicContact CG2-CE2 3.7Å; T473-F476 HydrophobicContact CG2-CG 4.25Å; T473-F476 HydrophobicContact CG2-CZ 4.35Å; T473-F476 PolarHBondContact O-N 3.01Å; T473-F476 VanDerWaalsContact O-N 3.08Å; T473-N680 VanDerWaalsContact OG1-C 3.24Å; T473-N680 PolarHBondContact OG1-O 3.1Å | ||
| 474 | L | 94 | Very high | 95.2 | Very high | 28 Ų | 28 | 39.6 Ų | 39.6 | 15% | 0.147 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -58 | -29.5 | 179.4 | -85.6 | 176 | 0 | 0 | 0 | 113.6 | L407 R410 F413 L414 F476 C477 | L407-L474 HydrophobicContact CD2-CD1 4.22Å; L407-L474 HydrophobicContact CD2-CD2 4.08Å; R410-L474 HydrophobicContact CB-CD1 4.25Å; R410-L474 WeakPolarHBondContact O-CD1 3.4Å; F413-L474 HydrophobicContact CB-CD1 4.31Å; F413-L474 HydrophobicContact CD1-CD1 4.37Å; F413-L474 HydrophobicContact CD1-CD2 3.67Å; F413-L474 HydrophobicContact CD1-CG 4.39Å; F413-L474 HydrophobicContact CE1-CD2 4.07Å; L414-L474 HydrophobicContact CD1-CB 4.49Å; L414-L474 HydrophobicContact CD1-CD2 4.13Å; L414-L474 HydrophobicContact CD1-CG 3.92Å; L414-L474 HydrophobicContact CD2-CD2 4.09Å; L414-L474 HydrophobicContact CG-CD2 4.01Å; L414-L474 HydrophobicContact CG-CG 4.07Å; L474-F476 PolarHBondContact O-N 3.17Å; L474-C477 PolarHBondContact O-N 3.21Å |
| 475 | A | 92.5 | Very high | 94.9 | Very high | 89 Ų | 89 | 41 Ų | 41 | 74% | 0.736 | 24% | 0.237 | S | C | * | . | G | 310 helix | trans | -63.2 | -21.1 | 179 | 0 | 0 | 0 | 0 | 0 | 113.3 | T473 | T473-A475 HydrophobicContact CG2-CB 3.97Å; T473-A475 PolarHBondContact O-N 2.82Å; T473-A475 VanDerWaalsContact O-N 3.16Å |
| 476 | F | 93.4 | Very high | 94.6 | Very high | 28 Ų | 28 | 43.5 Ų | 43.5 | 12% | 0.123 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -95.3 | -2.5 | 177 | -57.5 | -38.5 | 0 | 0 | 0 | 113.5 | T473 L474 R554 Y671 I681 | T473-F476 HydrophobicContact CG2-CD2 3.64Å; T473-F476 HydrophobicContact CG2-CE2 3.7Å; T473-F476 HydrophobicContact CG2-CG 4.25Å; T473-F476 HydrophobicContact CG2-CZ 4.35Å; T473-F476 PolarHBondContact O-N 3.01Å; T473-F476 VanDerWaalsContact O-N 3.08Å; L474-F476 PolarHBondContact O-N 3.17Å; F476-R554 PolarHBondContact O-NH2 3.44Å; F476-Y671 HydrophobicContact CE1-CD1 4.44Å; F476-Y671 HydrophobicContact CE2-CD1 4.04Å; F476-Y671 AromaticContact CE2-CE1 3.79Å; F476-Y671 HydrophobicContact CE2-CE1 3.79Å; F476-Y671 AromaticContact CZ-CD1 3.56Å; F476-Y671 HydrophobicContact CZ-CD1 3.56Å; F476-Y671 HydrophobicContact CZ-CD2 4.36Å; F476-Y671 AromaticContact CZ-CE1 3.46Å; F476-Y671 HydrophobicContact CZ-CE1 3.46Å; F476-Y671 VanDerWaalsContact CZ-CE1 3.46Å; F476-Y671 HydrophobicContact CZ-CE2 4.29Å; F476-Y671 HydrophobicContact CZ-CG 4.01Å; F476-Y671 AromaticContact CZ-CZ 3.85Å; F476-I681 HydrophobicContact CD2-CG1 4.47Å; F476-I681 VanDerWaalsContact CD2-OXT 3.28Å; F476-I681 WeakPolarHBondContact CD2-OXT 3.42Å; F476-I681 HydrophobicContact CE2-CG1 4.17Å |
| 477 | C | 96.1 | Very high | 94.2 | Very high | 8 Ų | 8 | 45.1 Ų | 45.1 | 5% | 0.054 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -96.3 | 104.7 | 175 | -63.5 | 0 | 0 | 0 | 0 | 109.6 | F461 S471 L474 V479 | F461-C477 HydrophobicContact CB-CB 3.93Å; F461-C477 HydrophobicContact CD1-CB 3.89Å; F461-C477 HydrophobicContact CG-CB 4.03Å; S471-C477 PolarHBondContact OG-SG 2.85Å; L474-C477 PolarHBondContact O-N 3.21Å; C477-V479 PolarHBondContact O-N 3.42Å |
| 478 | Q | 96.1 | Very high | 93.7 | Very high | 93 Ų | 93 | 46.2 Ų | 46.2 | 44% | 0.435 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 117.7 | 173.4 | 177.8 | -176.3 | 2.2 | 0 | 0 | 109 | F461 K462 I480 | F461-Q478 CarbonylContact C-O 3.52Å; F461-Q478 WeakPolarHBondContact CA-O 3.21Å; K462-Q478 HydrophobicContact CB-CB 4.19Å; K462-Q478 PolarHBondContact N-O 2.74Å; K462-Q478 PolarHBondContact O-N 3.22Å; Q478-I480 HydrophobicContact CG-CD1 4.42Å; Q478-I480 PolarHBondContact O-N 2.85Å |
| 479 | V | 97.2 | Very high | 93.6 | Very high | 92 Ų | 92 | 43.5 Ų | 43.5 | 56% | 0.558 | 24% | 0.241 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 123.1 | 178.8 | -172 | 0 | 0 | 0 | 0 | 109.8 | F461 C477 V482 | F461-V479 HydrophobicContact CD1-CB 4.4Å; F461-V479 HydrophobicContact CD1-CG2 4.07Å; F461-V479 HydrophobicContact CE1-CG1 4.42Å; F461-V479 HydrophobicContact CE1-CG2 3.98Å; C477-V479 PolarHBondContact O-N 3.42Å; V479-V482 HydrophobicContact CG1-CG2 3.73Å |
| 480 | I | 97.7 | Very high | 93.4 | Very high | 54 Ų | 54 | 44.2 Ų | 44.2 | 28% | 0.277 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | -53.2 | 172.9 | -57.5 | -60.9 | 0 | 0 | 0 | 109.4 | L460 K462 Q478 L497 Y502 | L460-I480 HydrophobicContact CD2-CB 4.32Å; L460-I480 HydrophobicContact CD2-CG2 3.97Å; L460-I480 HydrophobicContact CG-CB 4.1Å; L460-I480 HydrophobicContact CG-CG2 4.31Å; L460-I480 WeakPolarHBondContact O-CB 3.1Å; L460-I480 PolarHBondContact O-N 3.28Å; K462-I480 HydrophobicContact CB-CD1 3.98Å; K462-I480 HydrophobicContact CB-CG1 4.08Å; Q478-I480 HydrophobicContact CG-CD1 4.42Å; Q478-I480 PolarHBondContact O-N 2.85Å; I480-L497 HydrophobicContact CG2-CD2 3.82Å; I480-Y502 HydrophobicContact CD1-CE1 4.3Å; I480-Y502 HydrophobicContact CG1-CD1 4.21Å; I480-Y502 HydrophobicContact CG1-CE1 3.97Å |
| 481 | H | 97.7 | Very high | 93.2 | Very high | 48 Ų | 48 | 42.7 Ų | 42.7 | 22% | 0.222 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 139.8 | -179.9 | -171.7 | 117.7 | 0 | 0 | 0 | 109.5 | L460 E483 I493 E495 | L460-H481 HydrophobicContact CB-CB 4.36Å; L460-H481 PolarHBondContact N-O 3.06Å; L460-H481 PolarHBondContact O-N 3.48Å; L460-H481 VanDerWaalsContact O-N 3.16Å; H481-E483 IonicContact NE2-OE2 3.66Å; H481-I493 HydrophobicContact CB-CD1 4.4Å; H481-I493 HydrophobicContact CB-CG2 3.94Å; H481-E495 HydrophobicContact CB-CG 4.01Å; H481-E495 IonicContact CE1-OE1 3.93Å; H481-E495 IonicContact CG-OE1 2.64Å; H481-E495 IonicContact ND1-OE1 3.5Å; H481-E495 PolarHBondContact ND1-OE1 2.99Å |
| 482 | V | 97.1 | Very high | 93.2 | Very high | 42 Ų | 42 | 43.8 Ų | 43.8 | 26% | 0.255 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 113.2 | 170.7 | -178.8 | 0 | 0 | 0 | 0 | 108.2 | L407 L458 F461 V479 F507 | L407-V482 HydrophobicContact CD1-CB 4.26Å; L407-V482 HydrophobicContact CD1-CG1 3.82Å; L407-V482 HydrophobicContact CD1-CG2 3.72Å; L458-V482 WeakPolarHBondContact O-CA 3.08Å; F461-V482 HydrophobicContact CE1-CG2 4.31Å; F461-V482 HydrophobicContact CZ-CG2 4.2Å; V479-V482 HydrophobicContact CG1-CG2 3.73Å; V482-F507 HydrophobicContact CG1-CE1 4.06Å; V482-F507 HydrophobicContact CG1-CZ 3.98Å |
| 483 | E | 94.3 | Very high | 93.3 | Very high | 38 Ų | 38 | 42 Ų | 42 | 18% | 0.178 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 121 | 171 | -177.4 | 56.3 | -147.9 | 0 | 0 | 107.7 | L458 H481 R486 C491 I493 F507 | L458-E483 PolarHBondContact N-O 3.25Å; L458-E483 PolarHBondContact O-N 3.17Å; H481-E483 IonicContact NE2-OE2 3.66Å; E483-R486 IonicContact OE1-CZ 2.72Å; E483-R486 VanDerWaalsContact OE1-CZ 3.29Å; E483-R486 IonicContact OE1-NE 3.97Å; E483-R486 PolarHBondContact OE1-NE 2.82Å; E483-R486 VanDerWaalsContact OE1-NE 3.07Å; E483-R486 IonicContact OE1-NH2 3.89Å; E483-R486 PolarHBondContact OE1-NH2 2.94Å; E483-C491 VanDerWaalsContact CB-SG 3.5Å; E483-C491 WeakPolarHBondContact CG-SG 3.15Å; E483-I493 HydrophobicContact CB-CG1 4.21Å; E483-F507 WeakPolarHBondContact O-CZ 2.98Å |
| 484 | P | 91.1 | Very high | 93.3 | Very high | 70 Ų | 70 | 43 Ų | 43 | 46% | 0.455 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 157.4 | -175.7 | 25.4 | -36.7 | 0 | 0 | 0 | 112.1 | R486 | P484-R486 PolarHBondContact O-N 3.19Å |
| 485 | S | 91.5 | Very high | 93.4 | Very high | 29 Ų | 29 | 44.6 Ų | 44.6 | 20% | 0.203 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 127 | 174.8 | 49.2 | 0 | 0 | 0 | 0 | 111.1 | I456 | I456-S485 VanDerWaalsContact O-CA 3.27Å; I456-S485 WeakPolarHBondContact O-CA 3.42Å |
| 486 | R | 88.7 | Confident | 93.5 | Very high | 84 Ų | 84 | 47.8 Ų | 47.8 | 32% | 0.317 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 150.2 | 174.6 | -53.6 | -168.2 | -163.1 | -159.3 | 6.5 | 110.5 | S455 I456 E483 P484 Y488 | S455-R486 CarbonylContact C-O 3.55Å; S455-R486 WeakPolarHBondContact CA-O 3.48Å; S455-R486 VanDerWaalsContact CB-C 3.47Å; S455-R486 WeakPolarHBondContact CB-O 3.48Å; I456-R486 PolarHBondContact N-O 3.36Å; I456-R486 PolarHBondContact O-N 2.77Å; E483-R486 IonicContact OE1-CZ 2.72Å; E483-R486 VanDerWaalsContact OE1-CZ 3.29Å; E483-R486 IonicContact OE1-NE 3.97Å; E483-R486 PolarHBondContact OE1-NE 2.82Å; E483-R486 VanDerWaalsContact OE1-NE 3.07Å; E483-R486 IonicContact OE1-NH2 3.89Å; E483-R486 PolarHBondContact OE1-NH2 2.94Å; P484-R486 PolarHBondContact O-N 3.19Å; R486-Y488 HydrophobicContact CB-CD2 3.68Å; R486-Y488 HydrophobicContact CB-CE2 3.71Å; R486-Y488 HydrophobicContact CB-CG 4.13Å; R486-Y488 HydrophobicContact CG-CD2 4.38Å; R486-Y488 HydrophobicContact CG-CE2 4.12Å; R486-Y488 PolarHBondContact O-N 2.89Å |
| 487 | P | 87.1 | Confident | 93.7 | Very high | 66 Ų | 66 | 46.7 Ų | 46.7 | 43% | 0.429 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -73.3 | 24.4 | 179.1 | 33.2 | -37.4 | 0 | 0 | 0 | 113.2 | ||
| 488 | Y | 86.8 | Confident | 93.6 | Very high | 23 Ų | 23 | 49.7 Ų | 49.7 | 9% | 0.09 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -101.4 | 155.6 | 179.3 | -42.3 | -33.2 | 0 | 0 | 0 | 109.5 | I248 I456 R486 V490 | I248-Y488 HydrophobicContact CD1-CE1 4.29Å; I248-Y488 WeakPolarHBondContact CD1-OH 3.24Å; I248-Y488 WeakPolarHBondContact CG1-OH 3.46Å; I248-Y488 HydrophobicContact CG2-CE1 4.01Å; I248-Y488 HydrophobicContact CG2-CE2 3.65Å; I248-Y488 WeakPolarHBondContact CG2-OH 3.32Å; I456-Y488 VanDerWaalsContact CG1-O 3.26Å; I456-Y488 WeakPolarHBondContact CG1-O 3.17Å; R486-Y488 HydrophobicContact CB-CD2 3.68Å; R486-Y488 HydrophobicContact CB-CE2 3.71Å; R486-Y488 HydrophobicContact CB-CG 4.13Å; R486-Y488 HydrophobicContact CG-CD2 4.38Å; R486-Y488 HydrophobicContact CG-CE2 4.12Å; R486-Y488 PolarHBondContact O-N 2.89Å; Y488-V490 VanDerWaalsContact C-N 3.26Å; Y488-V490 PolarHBondContact O-N 3.19Å |
| 489 | R | 90.6 | Very high | 93.5 | Very high | 9 Ų | 9 | 47 Ų | 47 | 3% | 0.034 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -75 | -15 | 177.7 | -72.8 | 169.3 | 38.2 | 92.5 | 4.6 | 113.8 | E128 E184 V435 R436 K437 I456 | E128-R489 IonicContact OE1-CZ 3.11Å; E128-R489 IonicContact OE1-NH1 2.81Å; E128-R489 PolarHBondContact OE1-NH1 2.84Å; E128-R489 IonicContact OE1-NH2 3.42Å; E128-R489 PolarHBondContact OE1-NH2 3.5Å; E128-R489 VanDerWaalsContact OE1-NH2 3.07Å; E184-R489 WeakPolarHBondContact OE1-CB 3.5Å; E184-R489 PolarHBondContact OE1-N 2.85Å; V435-R489 CarbonylContact C-O 3.56Å; V435-R489 WeakPolarHBondContact CA-O 3.5Å; R436-R489 HydrophobicContact CB-CB 4.46Å; R436-R489 HydrophobicContact CB-CG 4.47Å; R436-R489 PolarHBondContact N-O 3Å; R436-R489 PolarHBondContact O-NH1 3.41Å; R436-R489 PolarHBondContact O-NH2 3.33Å; K437-R489 VanDerWaalsContact C-NH1 3.31Å; I456-R489 WeakPolarHBondContact CD1-O 3.32Å |
| 490 | V | 91 | Very high | 93.5 | Very high | 17 Ų | 17 | 43 Ų | 43 | 10% | 0.103 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 133.7 | -169.3 | -176.6 | 0 | 0 | 0 | 0 | 110.9 | E184 M187 L434 Y488 | E184-V490 HydrophobicContact CG-CG2 4.22Å; M187-V490 HydrophobicContact CE-CB 4.03Å; M187-V490 HydrophobicContact CE-CG1 3.41Å; M187-V490 VanDerWaalsContact CE-CG1 3.41Å; M187-V490 HydrophobicContact CE-CG2 3.34Å; M187-V490 HydrophobicContact SD-CG2 4.04Å; L434-V490 WeakPolarHBondContact O-CA 3.29Å; Y488-V490 VanDerWaalsContact C-N 3.26Å; Y488-V490 PolarHBondContact O-N 3.19Å |
| 491 | C | 91.2 | Very high | 93.5 | Very high | 9 Ų | 9 | 42 Ų | 42 | 6% | 0.061 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 144.2 | 174.7 | 170.1 | 0 | 0 | 0 | 0 | 109 | S433 L434 I456 L458 E483 | S433-C491 WeakPolarHBondContact CA-O 3.21Å; L434-C491 HydrophobicContact CB-CB 4.24Å; L434-C491 PolarHBondContact N-O 3.15Å; L434-C491 PolarHBondContact O-N 3.14Å; I456-C491 HydrophobicContact CD1-CB 4.31Å; L458-C491 WeakPolarHBondContact CB-SG 3.41Å; E483-C491 VanDerWaalsContact CB-SG 3.5Å; E483-C491 WeakPolarHBondContact CG-SG 3.15Å |
| 492 | L | 94.3 | Very high | 93.5 | Very high | 22 Ų | 22 | 39.8 Ų | 39.8 | 12% | 0.115 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 133.4 | -176.5 | -175.7 | 67.3 | 0 | 0 | 0 | 111.2 | V193 T194 E195 L431 L432 | V193-L492 HydrophobicContact CG1-CD1 3.28Å; V193-L492 HydrophobicContact CG1-CD2 3.98Å; V193-L492 HydrophobicContact CG1-CG 4.23Å; T194-L492 WeakPolarHBondContact O-CD2 3.21Å; E195-L492 HydrophobicContact CB-CD2 3.42Å; E195-L492 VanDerWaalsContact CB-CD2 3.42Å; E195-L492 HydrophobicContact CG-CD2 3.8Å; L431-L492 HydrophobicContact CD1-CD1 3.51Å; L431-L492 HydrophobicContact CD1-CD2 3.85Å; L431-L492 HydrophobicContact CD1-CG 3.95Å; L431-L492 HydrophobicContact CG-CD1 3.75Å; L432-L492 CarbonylContact O-C 3.58Å; L432-L492 WeakPolarHBondContact O-CA 3.38Å; L432-L492 WeakPolarHBondContact O-CD1 3.48Å |
| 493 | I | 96.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 132 | 163.7 | -63.7 | 179.1 | 0 | 0 | 0 | 108.3 | L431 L432 L458 L460 H481 E483 E495 | L431-I493 WeakPolarHBondContact CA-O 3.44Å; L432-I493 HydrophobicContact CB-CB 4.23Å; L432-I493 HydrophobicContact CD1-CB 4.23Å; L432-I493 HydrophobicContact CD1-CG2 4.24Å; L432-I493 HydrophobicContact CG-CB 4.39Å; L432-I493 PolarHBondContact N-O 3.4Å; L432-I493 PolarHBondContact O-N 3.46Å; L458-I493 HydrophobicContact CB-CD1 3.95Å; L458-I493 HydrophobicContact CB-CG1 4.32Å; L458-I493 HydrophobicContact CD2-CB 4.43Å; L458-I493 HydrophobicContact CD2-CD1 3.95Å; L458-I493 HydrophobicContact CD2-CG1 4Å; L458-I493 HydrophobicContact CG-CD1 3.76Å; L458-I493 HydrophobicContact CG-CG1 4.29Å; L458-I493 WeakPolarHBondContact O-CD1 3.34Å; L460-I493 HydrophobicContact CB-CD1 3.97Å; L460-I493 HydrophobicContact CD2-CG2 4.02Å; H481-I493 HydrophobicContact CB-CD1 4.4Å; H481-I493 HydrophobicContact CB-CG2 3.94Å; E483-I493 HydrophobicContact CB-CG1 4.21Å; I493-E495 HydrophobicContact CG2-CG 3.81Å |
| 494 | R | 94.9 | Very high | 93.8 | Very high | 54 Ų | 54 | 36 Ų | 36 | 20% | 0.204 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 115.5 | 173.7 | -176.3 | -177.6 | 178.2 | -157.6 | -1.6 | 108.7 | E195 E429 V430 L431 | E195-R494 IonicContact OE2-NH1 3.86Å; E429-R494 IonicContact OE1-CZ 3.75Å; E429-R494 IonicContact OE1-NE 3.44Å; E429-R494 PolarHBondContact OE1-NE 2.78Å; E429-R494 IonicContact OE1-NH2 3.31Å; E429-R494 PolarHBondContact OE1-NH2 2.77Å; V430-R494 WeakPolarHBondContact O-CA 3.36Å; L431-R494 HydrophobicContact CD1-CB 3.84Å; L431-R494 HydrophobicContact CD1-CG 3.95Å |
| 495 | E | 95.8 | Very high | 94.1 | Very high | 61 Ų | 61 | 32.6 Ų | 32.6 | 29% | 0.285 | 16% | 0.158 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 152.3 | -174.3 | -74.5 | -60.8 | 164.7 | 0 | 0 | 111.9 | E429 V430 L460 H481 I493 L497 | E429-E495 WeakPolarHBondContact CA-O 3.28Å; V430-E495 HydrophobicContact CG2-CB 4.38Å; V430-E495 PolarHBondContact N-O 3.13Å; V430-E495 PolarHBondContact O-N 3.46Å; L460-E495 HydrophobicContact CD2-CB 4.36Å; L460-E495 HydrophobicContact CD2-CG 4.35Å; H481-E495 HydrophobicContact CB-CG 4.01Å; H481-E495 IonicContact CE1-OE1 3.93Å; H481-E495 IonicContact CG-OE1 2.64Å; H481-E495 IonicContact ND1-OE1 3.5Å; H481-E495 PolarHBondContact ND1-OE1 2.99Å; I493-E495 HydrophobicContact CG2-CG 3.81Å; E495-L497 HydrophobicContact CB-CD2 3.89Å; E495-L497 HydrophobicContact CB-CG 4.48Å |
| 496 | R | 95.7 | Very high | 94.4 | Very high | 157 Ų | 157 | 31.2 Ų | 31.2 | 59% | 0.592 | 15% | 0.148 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 123.1 | 165.9 | -72 | -172.3 | 179.6 | -173.6 | 2.4 | 109.1 | E429 | E429-R496 HydrophobicContact CB-CG 4.2Å; E429-R496 HydrophobicContact CG-CG 4.22Å |
| 497 | L | 96.6 | Very high | 94.8 | Very high | 5 Ų | 5 | 27.4 Ų | 27.4 | 3% | 0.026 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 156.3 | -170.2 | -60.2 | -175.3 | 0 | 0 | 0 | 111.6 | F421 I423 S427 D428 V430 L460 I480 E495 Y502 | F421-L497 HydrophobicContact CE2-CD1 3.87Å; F421-L497 HydrophobicContact CZ-CD1 3.93Å; I423-L497 HydrophobicContact CD1-CD1 4.36Å; I423-L497 HydrophobicContact CG1-CB 4.03Å; I423-L497 HydrophobicContact CG1-CD1 3.98Å; I423-L497 HydrophobicContact CG2-CB 4.48Å; S427-L497 WeakPolarHBondContact CA-O 3.12Å; S427-L497 PolarHBondContact N-O 3.45Å; D428-L497 PolarHBondContact N-O 3.38Å; D428-L497 PolarHBondContact O-N 2.75Å; V430-L497 HydrophobicContact CB-CD1 4.41Å; V430-L497 HydrophobicContact CG1-CD1 3.86Å; V430-L497 HydrophobicContact CG1-CG 4.47Å; V430-L497 HydrophobicContact CG2-CD1 3.62Å; V430-L497 HydrophobicContact CG2-CG 4Å; L460-L497 HydrophobicContact CD2-CD1 4.38Å; L460-L497 HydrophobicContact CD2-CD2 4.1Å; I480-L497 HydrophobicContact CG2-CD2 3.82Å; E495-L497 HydrophobicContact CB-CD2 3.89Å; E495-L497 HydrophobicContact CB-CG 4.48Å; L497-Y502 HydrophobicContact CB-CE1 4.32Å; L497-Y502 HydrophobicContact CB-CE2 4.08Å; L497-Y502 HydrophobicContact CD1-CD1 3.96Å; L497-Y502 HydrophobicContact CD1-CD2 4.02Å; L497-Y502 HydrophobicContact CD1-CE1 3.96Å; L497-Y502 HydrophobicContact CD1-CE2 4.04Å; L497-Y502 HydrophobicContact CD1-CG 3.99Å; L497-Y502 HydrophobicContact CD2-CD1 4.35Å; L497-Y502 HydrophobicContact CD2-CE1 3.81Å; L497-Y502 HydrophobicContact CG-CE1 4.25Å |
| 498 | T | 94.3 | Very high | 95.3 | Very high | 71 Ų | 71 | 24.3 Ų | 24.3 | 44% | 0.436 | 11% | 0.114 | S | C | . | . | trans | -92.7 | 165.2 | 169.3 | 52.9 | 0 | 0 | 0 | 0 | 110.1 | D426 K462 G500 Y502 | D426-T498 VanDerWaalsContact OD1-CA 3.29Å; D426-T498 WeakPolarHBondContact OD1-CA 3.35Å; D426-T498 WeakPolarHBondContact OD1-CB 3.39Å; K462-T498 PolarHBondContact NZ-OG1 3.19Å; T498-G500 PolarHBondContact O-N 2.87Å; T498-Y502 PolarHBondContact N-OH 3.31Å; T498-Y502 VanDerWaalsContact N-OH 3.12Å; T498-Y502 VanDerWaalsContact O-CE2 3.26Å; T498-Y502 WeakPolarHBondContact O-CE2 3.41Å; T498-Y502 PolarHBondContact O-OH 3.08Å; T498-Y502 PolarHBondContact OG1-OH 3.09Å | ||
| 499 | V | 94.6 | Very high | 95.6 | Very high | 37 Ų | 37 | 26.3 Ų | 26.3 | 22% | 0.224 | 12% | 0.124 | C | C | . | . | S | Bend | trans | -53.4 | 137.5 | 173.3 | 179.1 | 0 | 0 | 0 | 0 | 111 | I423 M424 D426 K462 T588 | I423-V499 WeakPolarHBondContact O-CA 3.05Å; I423-V499 WeakPolarHBondContact O-CG1 3.25Å; M424-V499 WeakPolarHBondContact O-CG2 3.37Å; D426-V499 PolarHBondContact OD1-N 3.42Å; K462-V499 WeakPolarHBondContact CE-O 3.37Å; K462-V499 PolarHBondContact NZ-O 2.94Å; V499-T588 HydrophobicContact CB-CG2 3.95Å; V499-T588 HydrophobicContact CG1-CG2 3.64Å |
| 500 | G | 95.6 | Very high | 95.8 | Very high | 7 Ų | 7 | 29.8 Ų | 29.8 | 7% | 0.072 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 144.8 | -175.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | I423 N465 T498 Y502 | I423-G500 PolarHBondContact N-O 3.22Å; I423-G500 PolarHBondContact O-N 3.23Å; I423-G500 VanDerWaalsContact O-N 3.15Å; N465-G500 WeakPolarHBondContact OD1-CA 3.39Å; T498-G500 PolarHBondContact O-N 2.87Å; G500-Y502 WeakPolarHBondContact O-CD2 3.34Å; G500-Y502 WeakPolarHBondContact O-CE2 3.14Å |
| 501 | R | 97.7 | Very high | 96 | Very high | 32 Ų | 32 | 30.5 Ų | 30.5 | 12% | 0.121 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 133.9 | 178.2 | -177.7 | 164 | -74.5 | 178.6 | 1.2 | 111.9 | Y420 D422 I463 N465 R467 | Y420-R501 HydrophobicContact CD2-CG 4.39Å; D422-R501 VanDerWaalsContact OD1-CB 3.31Å; D422-R501 WeakPolarHBondContact OD1-CB 3.41Å; D422-R501 WeakPolarHBondContact OD1-CG 3.37Å; D422-R501 IonicContact OD1-CZ 3.51Å; D422-R501 IonicContact OD1-NE 2.76Å; D422-R501 PolarHBondContact OD1-NE 3.33Å; D422-R501 IonicContact OD1-NH2 3.3Å; D422-R501 PolarHBondContact OD1-NH2 2.81Å; D422-R501 IonicContact OD2-CZ 3.79Å; D422-R501 IonicContact OD2-NE 3.79Å; D422-R501 IonicContact OD2-NH2 3.02Å; D422-R501 PolarHBondContact OD2-NH2 3.16Å; I463-R501 HydrophobicContact CD1-CG 3.91Å; I463-R501 HydrophobicContact CG1-CB 4.27Å; I463-R501 HydrophobicContact CG1-CG 3.8Å; I463-R501 PolarHBondContact N-O 2.92Å; N465-R501 PolarHBondContact O-NE 3.25Å; N465-R501 PolarHBondContact OD1-N 3.32Å; R467-R501 PolarHBondContact O-NH1 3.37Å |
| 502 | Y | 98.4 | Very high | 96.1 | Very high | 2 Ų | 2 | 35.6 Ų | 35.6 | 1% | 0.008 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 145.3 | -179 | -65 | -92.6 | 0 | 0 | 0 | 111.5 | Y420 F421 I423 L460 F461 K462 I480 L497 T498 G500 | Y420-Y502 WeakPolarHBondContact CA-O 3.36Å; Y420-Y502 VanDerWaalsContact CB-O 3.29Å; Y420-Y502 WeakPolarHBondContact CB-O 3.33Å; F421-Y502 HydrophobicContact CE2-CD2 4.03Å; F421-Y502 HydrophobicContact CE2-CG 4.14Å; F421-Y502 HydrophobicContact CZ-CG 4.32Å; F421-Y502 PolarHBondContact N-O 2.76Å; F421-Y502 VanDerWaalsContact N-O 3.09Å; F421-Y502 PolarHBondContact O-N 2.62Å; I423-Y502 HydrophobicContact CB-CD2 4.34Å; I423-Y502 HydrophobicContact CB-CE2 3.92Å; I423-Y502 HydrophobicContact CG1-CD2 3.76Å; I423-Y502 HydrophobicContact CG1-CE2 3.65Å; L460-Y502 HydrophobicContact CD1-CD1 4.21Å; L460-Y502 HydrophobicContact CD1-CG 4.47Å; F461-Y502 CarbonylContact O-C 3.5Å; F461-Y502 VanDerWaalsContact O-CA 3.23Å; F461-Y502 WeakPolarHBondContact O-CA 3.38Å; K462-Y502 HydrophobicContact CB-CD1 4.1Å; K462-Y502 HydrophobicContact CB-CE1 3.89Å; K462-Y502 HydrophobicContact CD-CE1 4.17Å; K462-Y502 HydrophobicContact CG-CD1 4.42Å; K462-Y502 HydrophobicContact CG-CE1 4.03Å; I480-Y502 HydrophobicContact CD1-CE1 4.3Å; I480-Y502 HydrophobicContact CG1-CD1 4.21Å; I480-Y502 HydrophobicContact CG1-CE1 3.97Å; L497-Y502 HydrophobicContact CB-CE1 4.32Å; L497-Y502 HydrophobicContact CB-CE2 4.08Å; L497-Y502 HydrophobicContact CD1-CD1 3.96Å; L497-Y502 HydrophobicContact CD1-CD2 4.02Å; L497-Y502 HydrophobicContact CD1-CE1 3.96Å; L497-Y502 HydrophobicContact CD1-CE2 4.04Å; L497-Y502 HydrophobicContact CD1-CG 3.99Å; L497-Y502 HydrophobicContact CD2-CD1 4.35Å; L497-Y502 HydrophobicContact CD2-CE1 3.81Å; L497-Y502 HydrophobicContact CG-CE1 4.25Å; T498-Y502 PolarHBondContact N-OH 3.31Å; T498-Y502 VanDerWaalsContact N-OH 3.12Å; T498-Y502 VanDerWaalsContact O-CE2 3.26Å; T498-Y502 WeakPolarHBondContact O-CE2 3.41Å; T498-Y502 PolarHBondContact O-OH 3.08Å; T498-Y502 PolarHBondContact OG1-OH 3.09Å; G500-Y502 WeakPolarHBondContact O-CD2 3.34Å; G500-Y502 WeakPolarHBondContact O-CE2 3.14Å |
| 503 | L | 98.5 | Very high | 96 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 127.4 | 176.7 | -176.3 | 66.9 | 0 | 0 | 0 | 109.3 | L414 Q418 Y419 L460 F461 I463 V505 F532 | L414-L503 HydrophobicContact CD2-CD2 4.46Å; Q418-L503 HydrophobicContact CB-CD1 3.75Å; Q418-L503 HydrophobicContact CG-CD1 4.22Å; Y419-L503 CarbonylContact O-C 3.55Å; Y419-L503 WeakPolarHBondContact O-CA 3.42Å; Y419-L503 WeakPolarHBondContact O-CD1 3.14Å; L460-L503 WeakPolarHBondContact CA-O 3.48Å; F461-L503 HydrophobicContact CB-CB 4.35Å; F461-L503 PolarHBondContact N-O 2.74Å; F461-L503 PolarHBondContact O-N 2.67Å; I463-L503 HydrophobicContact CD1-CB 4.1Å; I463-L503 HydrophobicContact CG1-CB 4.31Å; I463-L503 HydrophobicContact CG2-CB 3.88Å; I463-L503 HydrophobicContact CG2-CD2 4.21Å; L503-V505 HydrophobicContact CD2-CG2 3.95Å; L503-V505 HydrophobicContact CG-CG2 3.9Å; L503-F532 HydrophobicContact CD1-CD2 3.79Å; L503-F532 HydrophobicContact CD1-CE2 3.86Å |
| 504 | V | 98.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 123.5 | 174.3 | -177.2 | 0 | 0 | 0 | 0 | 108.6 | Y419 F421 L432 L458 G459 L460 L519 L521 | Y419-V504 PolarHBondContact N-O 3.3Å; Y419-V504 PolarHBondContact O-N 2.79Å; F421-V504 HydrophobicContact CD1-CG2 4.08Å; F421-V504 HydrophobicContact CE1-CG2 3.5Å; L432-V504 HydrophobicContact CD1-CG2 3.91Å; L458-V504 HydrophobicContact CD1-CG1 3.56Å; L458-V504 HydrophobicContact CG-CG1 4.25Å; G459-V504 CarbonylContact O-C 3.12Å; G459-V504 VanDerWaalsContact O-CA 3.3Å; G459-V504 WeakPolarHBondContact O-CA 3.48Å; L460-V504 HydrophobicContact CD1-CG2 4Å; V504-L519 HydrophobicContact CG1-CD1 4.38Å; V504-L519 HydrophobicContact CG1-CD2 4.15Å; V504-L521 HydrophobicContact CG1-CD2 4.48Å |
| 505 | V | 98.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 98.9 | -178.9 | -173.6 | 0 | 0 | 0 | 0 | 108.7 | F413 N416 Q418 G459 F461 L503 F507 | F413-V505 HydrophobicContact CE1-CB 4.19Å; F413-V505 HydrophobicContact CE1-CG1 3.93Å; F413-V505 HydrophobicContact CE1-CG2 4.35Å; F413-V505 HydrophobicContact CE2-CG1 4.5Å; F413-V505 HydrophobicContact CZ-CB 4.1Å; F413-V505 HydrophobicContact CZ-CG1 3.88Å; N416-V505 HydrophobicContact CB-CG1 3.66Å; Q418-V505 HydrophobicContact CG-CG2 4.38Å; G459-V505 PolarHBondContact N-O 3.43Å; G459-V505 PolarHBondContact O-N 2.8Å; F461-V505 HydrophobicContact CD2-CG2 4.13Å; F461-V505 HydrophobicContact CE2-CB 4.2Å; F461-V505 HydrophobicContact CE2-CG2 3.92Å; L503-V505 HydrophobicContact CD2-CG2 3.95Å; L503-V505 HydrophobicContact CG-CG2 3.9Å; V505-F507 WeakPolarHBondContact O-CD1 3.18Å |
| 506 | P | 98.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 129 | 166.6 | 30.7 | -35.7 | 0 | 0 | 0 | 109.7 | W398 P417 Y419 L434 L458 Y517 | W398-P506 HydrophobicContact CZ2-CB 3.82Å; W398-P506 PolarHBondContact NE1-O 3.32Å; P417-P506 HydrophobicContact CB-CG 4.3Å; P417-P506 WeakPolarHBondContact O-CD 3.36Å; Y419-P506 HydrophobicContact CD2-CG 4.16Å; Y419-P506 HydrophobicContact CE2-CG 3.83Å; L434-P506 HydrophobicContact CD1-CB 3.79Å; L434-P506 HydrophobicContact CD2-CB 3.77Å; L434-P506 HydrophobicContact CG-CB 4.41Å; L458-P506 HydrophobicContact CD1-CB 4.04Å; P506-Y517 HydrophobicContact CB-CE2 4.43Å; P506-Y517 HydrophobicContact CG-CE1 4.48Å; P506-Y517 HydrophobicContact CG-CE2 3.98Å |
| 507 | F | 97.5 | Very high | 95.8 | Very high | 3 Ų | 3 | 29.4 Ų | 29.4 | 1% | 0.013 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 154.3 | -177.3 | 61.5 | -97.1 | 0 | 0 | 0 | 112.1 | N406 F413 N416 I456 G457 L458 V482 E483 V505 | N406-F507 HydrophobicContact CB-CD2 3.74Å; N406-F507 HydrophobicContact CB-CE2 3.7Å; F413-F507 HydrophobicContact CE2-CB 4.09Å; F413-F507 AromaticContact CE2-CD1 3.5Å; F413-F507 HydrophobicContact CE2-CD1 3.5Å; F413-F507 AromaticContact CE2-CE1 4Å; F413-F507 HydrophobicContact CE2-CE1 4Å; F413-F507 AromaticContact CE2-CG 3.81Å; F413-F507 HydrophobicContact CE2-CG 3.81Å; F413-F507 AromaticContact CZ-CD1 3.9Å; F413-F507 HydrophobicContact CZ-CD1 3.9Å; F413-F507 HydrophobicContact CZ-CE1 4.3Å; N416-F507 WeakPolarHBondContact ND2-CB 3.31Å; I456-F507 WeakPolarHBondContact CA-O 3.09Å; G457-F507 PolarHBondContact N-O 3.34Å; G457-F507 PolarHBondContact O-N 3.27Å; L458-F507 VanDerWaalsContact C-CE1 3.44Å; V482-F507 HydrophobicContact CG1-CE1 4.06Å; V482-F507 HydrophobicContact CG1-CZ 3.98Å; E483-F507 WeakPolarHBondContact O-CZ 2.98Å; V505-F507 WeakPolarHBondContact O-CD1 3.18Å |
| 508 | M | 95.8 | Very high | 95.8 | Very high | 1 Ų | 1 | 29.2 Ų | 29.2 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 160.9 | 163.3 | -77.9 | -166.1 | -70.5 | 0 | 0 | 110.7 | W398 T403 G405 N406 L454 S455 I456 S513 A515 | W398-M508 HydrophobicContact CB-CE 3.29Å; W398-M508 HydrophobicContact CD2-CE 3.9Å; W398-M508 HydrophobicContact CD2-CG 3.86Å; W398-M508 HydrophobicContact CD2-SD 4.32Å; W398-M508 HydrophobicContact CE3-CE 4.02Å; W398-M508 HydrophobicContact CE3-CG 3.88Å; W398-M508 HydrophobicContact CE3-SD 4.01Å; W398-M508 HydrophobicContact CG-CE 3.63Å; W398-M508 HydrophobicContact CG-CG 4.33Å; W398-M508 HydrophobicContact CH2-CG 4.41Å; W398-M508 HydrophobicContact CZ2-CG 4.37Å; W398-M508 HydrophobicContact CZ3-CG 4.17Å; T403-M508 HydrophobicContact CG2-CB 4.26Å; T403-M508 HydrophobicContact CG2-CE 3.58Å; G405-M508 CarbonylContact C-O 3.54Å; G405-M508 VanDerWaalsContact CA-O 3.22Å; G405-M508 WeakPolarHBondContact CA-O 3.35Å; N406-M508 PolarHBondContact N-O 2.96Å; L454-M508 HydrophobicContact CB-SD 4.05Å; L454-M508 HydrophobicContact CD1-SD 3.79Å; S455-M508 WeakPolarHBondContact O-CA 3.37Å; I456-M508 HydrophobicContact CG2-CG 3.99Å; M508-S513 VanDerWaalsContact CE-O 3.22Å; M508-S513 WeakPolarHBondContact CE-O 3.33Å; M508-A515 HydrophobicContact CE-CB 4.36Å; M508-A515 HydrophobicContact SD-CB 3.89Å |
| 509 | E | 94.9 | Very high | 96 | Very high | 66 Ų | 66 | 25.8 Ų | 25.8 | 31% | 0.308 | 15% | 0.146 | S | C | . | . | S | Bend | trans | -59.5 | -50 | 177.6 | -177.4 | 173.4 | 174.6 | 0 | 0 | 112.1 | N406 Y409 S455 | N406-E509 PolarHBondContact N-O 3.41Å; N406-E509 VanDerWaalsContact N-O 3.16Å; Y409-E509 WeakPolarHBondContact CE2-O 3.49Å; S455-E509 WeakPolarHBondContact CB-OE2 3.3Å; S455-E509 PolarHBondContact O-N 3.27Å; S455-E509 PolarHBondContact OG-OE2 3.2Å |
| 510 | Q | 94.1 | Very high | 96.2 | Very high | 81 Ų | 81 | 24.1 Ų | 24.1 | 38% | 0.379 | 14% | 0.136 | S | C | . | . | S | Bend | trans | -104.3 | 140.2 | -176.5 | -59.4 | -61.4 | -30.3 | 0 | 0 | 111.3 | Y409 S513 | Y409-Q510 PolarHBondContact OH-OE1 2.65Å; Q510-S513 PolarHBondContact O-OG 3.03Å |
| 511 | P | 94.5 | Very high | 96.3 | Very high | 33 Ų | 33 | 23.8 Ų | 23.8 | 21% | 0.214 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | 169.1 | 172.1 | 30.1 | -35.3 | 0 | 0 | 0 | 110.9 | T403 Y409 S513 | T403-P511 VanDerWaalsContact O-CA 3.31Å; T403-P511 WeakPolarHBondContact O-CA 3.35Å; T403-P511 WeakPolarHBondContact O-CB 3.39Å; Y409-P511 HydrophobicContact CD1-CG 4.1Å; Y409-P511 HydrophobicContact CE1-CG 3.96Å; Y409-P511 VanDerWaalsContact CE2-CD 3.49Å; Y409-P511 HydrophobicContact CE2-CG 4.41Å; Y409-P511 HydrophobicContact CG-CG 4.4Å; Y409-P511 VanDerWaalsContact CZ-CD 3.5Å; P511-S513 PolarHBondContact O-N 3.42Å |
| 512 | L | 93.4 | Very high | 96.2 | Very high | 116 Ų | 116 | 22.9 Ų | 22.9 | 61% | 0.607 | 13% | 0.129 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.5 | 2.7 | 177.4 | -51.3 | 178.1 | 0 | 0 | 0 | 116.4 | G400 T403 | G400-L512 WeakPolarHBondContact CA-O 3.44Å; G400-L512 VanDerWaalsContact O-CA 3.26Å; G400-L512 WeakPolarHBondContact O-CA 3.45Å; T403-L512 PolarHBondContact O-N 2.89Å |
| 513 | S | 92.4 | Very high | 96.1 | Very high | 25 Ų | 25 | 22.8 Ų | 22.8 | 18% | 0.175 | 13% | 0.128 | C | C | . | . | trans | -78.6 | 157.1 | 176.9 | -65.8 | 0 | 0 | 0 | 0 | 110.7 | G400 T403 M508 Q510 P511 | G400-S513 PolarHBondContact N-O 3.01Å; T403-S513 WeakPolarHBondContact CB-O 2.93Å; T403-S513 PolarHBondContact OG1-O 3.3Å; M508-S513 VanDerWaalsContact CE-O 3.22Å; M508-S513 WeakPolarHBondContact CE-O 3.33Å; Q510-S513 PolarHBondContact O-OG 3.03Å; P511-S513 PolarHBondContact O-N 3.42Å | ||
| 514 | T | 93.1 | Very high | 95.8 | Very high | 96 Ų | 96 | 23.7 Ų | 23.7 | 59% | 0.589 | 14% | 0.135 | S | C | * | . | trans | -126.2 | 126.6 | -179 | -62.3 | 0 | 0 | 0 | 0 | 110.1 | W398 G400 | W398-T514 VanDerWaalsContact O-CA 3.27Å; W398-T514 WeakPolarHBondContact O-CA 3.12Å; W398-T514 WeakPolarHBondContact O-CG2 3.4Å; G400-T514 PolarHBondContact N-OG1 2.74Å | ||
| 515 | A | 93.7 | Very high | 95.2 | Very high | 10 Ų | 10 | 27.2 Ų | 27.2 | 8% | 0.083 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.3 | 151.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | A397 W398 R436 L454 M508 | A397-A515 CarbonylContact C-O 3.55Å; A397-A515 WeakPolarHBondContact CA-O 3.42Å; W398-A515 HydrophobicContact CE3-CB 3.93Å; W398-A515 HydrophobicContact CZ3-CB 4.34Å; W398-A515 PolarHBondContact N-O 3.46Å; W398-A515 PolarHBondContact O-N 3.17Å; W398-A515 VanDerWaalsContact O-N 3.17Å; R436-A515 HydrophobicContact CG-CB 4.3Å; L454-A515 HydrophobicContact CD1-CB 4.25Å; M508-A515 HydrophobicContact CE-CB 4.36Å; M508-A515 HydrophobicContact SD-CB 3.89Å |
| 516 | A | 95.1 | Very high | 94.6 | Very high | 32 Ų | 32 | 37.3 Ų | 37.3 | 26% | 0.264 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 153.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | A397 K437 | A397-A516 HydrophobicContact CB-CB 4.39Å; K437-A516 HydrophobicContact CB-CB 4.11Å; K437-A516 HydrophobicContact CD-CB 4.02Å; K437-A516 HydrophobicContact CG-CB 4.35Å; K437-A516 PolarHBondContact N-O 3Å |
| 517 | Y | 96.8 | Very high | 94.4 | Very high | 1 Ų | 1 | 37.5 Ų | 37.5 | 0% | 0.004 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 163.7 | 177 | 64 | -93.7 | 0 | 0 | 0 | 112.8 | G396 W398 P417 Y419 L434 V435 K437 P506 L519 | G396-Y517 VanDerWaalsContact C-CE1 3.5Å; G396-Y517 PolarHBondContact N-O 3.38Å; G396-Y517 VanDerWaalsContact N-O 3.16Å; G396-Y517 PolarHBondContact O-N 2.81Å; W398-Y517 AromaticContact CD2-CD1 3.67Å; W398-Y517 HydrophobicContact CD2-CD1 3.67Å; W398-Y517 AromaticContact CD2-CE1 3.9Å; W398-Y517 HydrophobicContact CD2-CE1 3.9Å; W398-Y517 AromaticContact CE2-CD1 3.81Å; W398-Y517 AromaticContact CE2-CE1 3.88Å; W398-Y517 AromaticContact CE3-CD1 3.47Å; W398-Y517 HydrophobicContact CE3-CD1 3.47Å; W398-Y517 VanDerWaalsContact CE3-CD1 3.47Å; W398-Y517 HydrophobicContact CE3-CE1 4.18Å; W398-Y517 HydrophobicContact CE3-CG 4.37Å; W398-Y517 HydrophobicContact CG-CE1 4.38Å; W398-Y517 AromaticContact CH2-CD1 3.6Å; W398-Y517 HydrophobicContact CH2-CD1 3.6Å; W398-Y517 HydrophobicContact CH2-CE1 4.41Å; W398-Y517 AromaticContact CH2-CG 3.85Å; W398-Y517 HydrophobicContact CH2-CG 3.85Å; W398-Y517 AromaticContact CZ2-CD1 3.8Å; W398-Y517 HydrophobicContact CZ2-CD1 3.8Å; W398-Y517 HydrophobicContact CZ2-CE1 4.17Å; W398-Y517 HydrophobicContact CZ2-CG 4.31Å; W398-Y517 AromaticContact CZ3-CD1 3.43Å; W398-Y517 HydrophobicContact CZ3-CD1 3.43Å; W398-Y517 VanDerWaalsContact CZ3-CD1 3.43Å; W398-Y517 HydrophobicContact CZ3-CE1 4.42Å; W398-Y517 AromaticContact CZ3-CG 3.89Å; W398-Y517 HydrophobicContact CZ3-CG 3.89Å; P417-Y517 WeakPolarHBondContact CB-OH 3.36Å; P417-Y517 HydrophobicContact CG-CE1 4.26Å; P417-Y517 VanDerWaalsContact CG-OH 3.28Å; P417-Y517 WeakPolarHBondContact CG-OH 3.49Å; Y419-Y517 HydrophobicContact CE2-CE2 4.21Å; Y419-Y517 WeakPolarHBondContact CE2-OH 3.34Å; Y419-Y517 PolarHBondContact OH-OH 3.48Å; L434-Y517 HydrophobicContact CD1-CD2 3.62Å; L434-Y517 HydrophobicContact CD1-CE2 4.45Å; L434-Y517 HydrophobicContact CD1-CG 3.87Å; V435-Y517 CarbonylContact O-C 3.37Å; V435-Y517 WeakPolarHBondContact O-CA 3.08Å; V435-Y517 WeakPolarHBondContact O-CB 3.34Å; K437-Y517 WeakPolarHBondContact CE-O 3.36Å; P506-Y517 HydrophobicContact CB-CE2 4.43Å; P506-Y517 HydrophobicContact CG-CE1 4.48Å; P506-Y517 HydrophobicContact CG-CE2 3.98Å; Y517-L519 HydrophobicContact CD2-CB 4.13Å; Y517-L519 HydrophobicContact CE2-CB 4.1Å |
| 518 | L | 97.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 120.4 | 165.9 | 166 | 59.4 | 0 | 0 | 0 | 107.8 | W126 E393 V435 R520 | W126-L518 HydrophobicContact CH2-CD2 3.87Å; W126-L518 HydrophobicContact CZ2-CD2 4.08Å; E393-L518 HydrophobicContact CB-CD1 4.19Å; V435-L518 HydrophobicContact CB-CB 4.45Å; V435-L518 PolarHBondContact N-O 3.21Å; V435-L518 PolarHBondContact O-N 3.25Å; L518-R520 HydrophobicContact CD1-CG 3.89Å; L518-R520 HydrophobicContact CD2-CG 4.06Å; L518-R520 HydrophobicContact CG-CG 3.83Å |
| 519 | L | 98.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 119.7 | 172 | -179.1 | 68 | 0 | 0 | 0 | 108.9 | E393 H394 Y419 L434 L458 V504 Y517 L521 | E393-L519 WeakPolarHBondContact CA-O 3.48Å; H394-L519 HydrophobicContact CB-CB 4.32Å; H394-L519 PolarHBondContact N-O 3.43Å; H394-L519 PolarHBondContact O-N 2.9Å; Y419-L519 HydrophobicContact CD1-CD2 4.45Å; Y419-L519 HydrophobicContact CD2-CD2 3.42Å; Y419-L519 VanDerWaalsContact CD2-CD2 3.42Å; Y419-L519 HydrophobicContact CE2-CD2 3.79Å; Y419-L519 HydrophobicContact CG-CD2 3.79Å; L434-L519 HydrophobicContact CB-CD1 4.2Å; L434-L519 HydrophobicContact CD1-CB 4.4Å; L434-L519 HydrophobicContact CD1-CD1 4.24Å; L458-L519 HydrophobicContact CD1-CD1 4.01Å; L458-L519 HydrophobicContact CD2-CD1 4.43Å; V504-L519 HydrophobicContact CG1-CD1 4.38Å; V504-L519 HydrophobicContact CG1-CD2 4.15Å; Y517-L519 HydrophobicContact CD2-CB 4.13Å; Y517-L519 HydrophobicContact CE2-CB 4.1Å; L519-L521 HydrophobicContact CD1-CD2 3.71Å; L519-L521 HydrophobicContact CD2-CD1 4.4Å; L519-L521 HydrophobicContact CD2-CD2 4Å; L519-L521 HydrophobicContact CD2-CG 4.37Å; L519-L521 HydrophobicContact CG-CD2 3.61Å; L519-L521 HydrophobicContact CG-CG 4.13Å |
| 520 | R | 97.4 | Very high | 94.5 | Very high | 2 Ų | 2 | 45.1 Ų | 45.1 | 1% | 0.008 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 112.4 | 179 | -64.6 | -178.8 | -67.4 | 171.2 | 3.4 | 109.2 | W126 G191 G192 L391 E393 S433 L518 Y522 | W126-R520 VanDerWaalsContact CH2-CZ 3.49Å; G191-R520 PolarHBondContact O-NH1 3.5Å; G191-R520 VanDerWaalsContact O-NH1 3.12Å; G192-R520 PolarHBondContact O-NH2 3.07Å; L391-R520 HydrophobicContact CD1-CB 3.89Å; L391-R520 HydrophobicContact CD1-CG 4.38Å; E393-R520 HydrophobicContact CG-CG 4.21Å; S433-R520 PolarHBondContact N-O 3.06Å; S433-R520 PolarHBondContact O-N 3.32Å; S433-R520 PolarHBondContact OG-NH2 3.21Å; L518-R520 HydrophobicContact CD1-CG 3.89Å; L518-R520 HydrophobicContact CD2-CG 4.06Å; L518-R520 HydrophobicContact CG-CG 3.83Å; R520-Y522 HydrophobicContact CB-CE2 3.94Å |
| 521 | L | 97.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 107.8 | 179.5 | -50 | -173.4 | 0 | 0 | 0 | 108.7 | L391 C392 F421 L432 V504 L519 L523 | L391-L521 WeakPolarHBondContact CA-O 3.39Å; C392-L521 HydrophobicContact CB-CB 4.44Å; C392-L521 PolarHBondContact N-O 2.91Å; C392-L521 PolarHBondContact O-N 3.01Å; F421-L521 HydrophobicContact CD1-CD1 4.34Å; L432-L521 HydrophobicContact CB-CD2 3.89Å; L432-L521 HydrophobicContact CD2-CB 4.34Å; L432-L521 HydrophobicContact CD2-CD2 3.77Å; L432-L521 HydrophobicContact CG-CD2 4.34Å; V504-L521 HydrophobicContact CG1-CD2 4.48Å; L519-L521 HydrophobicContact CD1-CD2 3.71Å; L519-L521 HydrophobicContact CD2-CD1 4.4Å; L519-L521 HydrophobicContact CD2-CD2 4Å; L519-L521 HydrophobicContact CD2-CG 4.37Å; L519-L521 HydrophobicContact CG-CD2 3.61Å; L519-L521 HydrophobicContact CG-CG 4.13Å; L521-L523 HydrophobicContact CB-CD1 4.31Å; L521-L523 HydrophobicContact CB-CD2 4.24Å; L521-L523 HydrophobicContact CB-CG 4.06Å |
| 522 | Y | 96.6 | Very high | 94.7 | Very high | 12 Ų | 12 | 43.9 Ų | 43.9 | 5% | 0.047 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 106.7 | 171 | -56.6 | -98.1 | 0 | 0 | 0 | 107.6 | V193 P376 T378 W389 L391 L431 R520 | V193-Y522 HydrophobicContact CG2-CD2 4.2Å; V193-Y522 HydrophobicContact CG2-CE2 3.34Å; P376-Y522 HydrophobicContact CB-CD1 3.43Å; P376-Y522 VanDerWaalsContact CB-CD1 3.43Å; P376-Y522 HydrophobicContact CB-CE1 3.74Å; P376-Y522 HydrophobicContact CB-CG 4.08Å; P376-Y522 HydrophobicContact CG-CD1 3.71Å; P376-Y522 HydrophobicContact CG-CD2 4.4Å; P376-Y522 HydrophobicContact CG-CE1 3.78Å; P376-Y522 HydrophobicContact CG-CE2 4.5Å; P376-Y522 HydrophobicContact CG-CG 4.02Å; T378-Y522 HydrophobicContact CG2-CD1 4.1Å; T378-Y522 HydrophobicContact CG2-CE1 3.95Å; W389-Y522 HydrophobicContact CB-CD1 4.36Å; W389-Y522 WeakPolarHBondContact CZ3-O 3.3Å; L391-Y522 HydrophobicContact CB-CD1 4.26Å; L391-Y522 HydrophobicContact CB-CE1 4.31Å; L391-Y522 HydrophobicContact CD1-CD1 4.04Å; L391-Y522 HydrophobicContact CD1-CD2 4.32Å; L391-Y522 HydrophobicContact CD1-CE1 3.8Å; L391-Y522 HydrophobicContact CD1-CE2 4.05Å; L391-Y522 HydrophobicContact CD1-CG 4.3Å; L391-Y522 HydrophobicContact CD2-CE1 4.22Å; L391-Y522 HydrophobicContact CG-CE1 4.33Å; L431-Y522 HydrophobicContact CB-CD2 4.29Å; L431-Y522 HydrophobicContact CD2-CD2 4.1Å; L431-Y522 HydrophobicContact CG-CD2 4.37Å; L431-Y522 PolarHBondContact N-O 3.35Å; L431-Y522 VanDerWaalsContact N-O 3.09Å; L431-Y522 WeakPolarHBondContact O-CD2 3.25Å; L431-Y522 PolarHBondContact O-N 2.61Å; R520-Y522 HydrophobicContact CB-CE2 3.94Å |
| 523 | L | 96.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 163.6 | -173.6 | -58.2 | 179.2 | 0 | 0 | 0 | 110.6 | R390 F421 V430 L432 L521 | R390-L523 PolarHBondContact N-O 2.89Å; R390-L523 PolarHBondContact O-N 2.79Å; F421-L523 HydrophobicContact CB-CD1 3.75Å; F421-L523 HydrophobicContact CD1-CD1 4.24Å; F421-L523 HydrophobicContact CD1-CD2 4.01Å; F421-L523 HydrophobicContact CD2-CD1 4.36Å; F421-L523 HydrophobicContact CD2-CD2 3.94Å; F421-L523 HydrophobicContact CE1-CD2 4Å; F421-L523 HydrophobicContact CE2-CD2 3.96Å; F421-L523 HydrophobicContact CG-CD1 3.87Å; F421-L523 HydrophobicContact CG-CD2 3.97Å; F421-L523 HydrophobicContact CZ-CD2 3.99Å; V430-L523 HydrophobicContact CB-CD2 4.28Å; V430-L523 HydrophobicContact CG1-CD2 3.87Å; L432-L523 HydrophobicContact CD2-CD2 4.19Å; L521-L523 HydrophobicContact CB-CD1 4.31Å; L521-L523 HydrophobicContact CB-CD2 4.24Å; L521-L523 HydrophobicContact CB-CG 4.06Å |
| 524 | P | 92.7 | Very high | 94.8 | Very high | 20 Ų | 20 | 44.2 Ų | 44.2 | 13% | 0.13 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -53 | 147.4 | 166.8 | -25 | 34 | 0 | 0 | 0 | 111.2 | I423 D428 R526 S527 | I423-P524 HydrophobicContact CD1-CG 4.08Å; D428-P524 HydrophobicContact CB-CG 3.63Å; P524-R526 PolarHBondContact O-N 2.92Å; P524-S527 WeakPolarHBondContact O-CB 3.37Å; P524-S527 PolarHBondContact O-N 3.31Å |
| 525 | K | 86.5 | Confident | 94.7 | Very high | 74 Ų | 74 | 43 Ų | 43 | 32% | 0.322 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.3 | -29.7 | -173.6 | -96.9 | -173 | 166 | 168.4 | 0 | 116.1 | S379 I380 T388 | S379-K525 PolarHBondContact O-NZ 3.24Å; I380-K525 PolarHBondContact O-NZ 3.47Å; T388-K525 VanDerWaalsContact CB-CE 3.43Å; T388-K525 WeakPolarHBondContact OG1-CD 3.37Å; T388-K525 WeakPolarHBondContact OG1-CE 3.29Å; T388-K525 PolarHBondContact OG1-NZ 2.89Å |
| 526 | R | 85.5 | Confident | 94.4 | Very high | 212 Ų | 212 | 46.7 Ų | 46.7 | 80% | 0.8 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | -7.4 | -177.7 | -64.8 | -176.9 | -179.4 | 175.4 | 0.7 | 113.5 | P524 | P524-R526 PolarHBondContact O-N 2.92Š|
| 527 | S | 93.2 | Very high | 93.9 | Very high | 4 Ų | 4 | 46.3 Ų | 46.3 | 3% | 0.028 | 22% | 0.217 | C | C | . | . | trans | -99 | 132.2 | -176.3 | -66.3 | 0 | 0 | 0 | 0 | 110.3 | R390 D422 P524 | R390-S527 VanDerWaalsContact CD-O 3.25Å; R390-S527 WeakPolarHBondContact CD-O 3.43Å; D422-S527 VanDerWaalsContact O-CB 3.27Å; D422-S527 WeakPolarHBondContact O-CB 3.41Å; D422-S527 PolarHBondContact O-OG 2.88Å; P524-S527 WeakPolarHBondContact O-CB 3.37Å; P524-S527 PolarHBondContact O-N 3.31Å | ||
| 528 | E | 94.5 | Very high | 92.9 | Very high | 82 Ų | 82 | 53.2 Ų | 53.2 | 38% | 0.383 | 25% | 0.249 | S | C | . | . | trans | -124.3 | 143.8 | 176.3 | 178 | 173.5 | -111.7 | 0 | 0 | 108.8 | R390 F421 R530 | R390-E528 IonicContact CZ-OE1 3.42Å; R390-E528 IonicContact NH2-OE1 3.18Å; R390-E528 PolarHBondContact NH2-OE1 2.9Å; F421-E528 WeakPolarHBondContact CB-O 3.49Å; E528-R530 IonicContact OE2-CZ 2.94Å; E528-R530 IonicContact OE2-NE 2.98Å; E528-R530 PolarHBondContact OE2-NE 3.36Å; E528-R530 IonicContact OE2-NH2 2.72Å; E528-R530 PolarHBondContact OE2-NH2 3Å | ||
| 529 | S | 97.8 | Very high | 91.7 | Very high | 8 Ų | 8 | 56.5 Ų | 56.5 | 6% | 0.056 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 149.1 | 175.3 | 62.8 | 0 | 0 | 0 | 0 | 112.6 | C392 H394 Y420 | C392-S529 WeakPolarHBondContact CB-OG 3.5Å; H394-S529 PolarHBondContact NE2-OG 3.05Å; Y420-S529 CarbonylContact O-C 3.52Å; Y420-S529 WeakPolarHBondContact O-CA 2.95Å |
| 530 | R | 97.5 | Very high | 90.2 | Very high | 139 Ų | 139 | 58.7 Ų | 58.7 | 53% | 0.525 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 161.2 | 176.2 | -61.7 | 179.5 | -174.7 | 173.3 | 3.3 | 110.3 | Y419 Y420 E528 | Y419-R530 CarbonylContact C-O 3.58Å; Y419-R530 VanDerWaalsContact CA-O 3.27Å; Y419-R530 WeakPolarHBondContact CA-O 3.35Å; Y420-R530 HydrophobicContact CD1-CB 4.29Å; Y420-R530 WeakPolarHBondContact CD1-O 3.32Å; Y420-R530 HydrophobicContact CE1-CB 3.62Å; Y420-R530 PolarHBondContact N-O 3.04Å; Y420-R530 PolarHBondContact O-N 3.34Å; E528-R530 IonicContact OE2-CZ 2.94Å; E528-R530 IonicContact OE2-NE 2.98Å; E528-R530 PolarHBondContact OE2-NE 3.36Å; E528-R530 IonicContact OE2-NH2 2.72Å; E528-R530 PolarHBondContact OE2-NH2 3Å |
| 531 | E | 97.6 | Very high | 88.6 | Confident | 85 Ų | 85 | 67 Ų | 67 | 40% | 0.397 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 135.2 | 173 | -167.7 | 175.6 | 155.5 | 0 | 0 | 110.5 | Y419 T533 | Y419-E531 HydrophobicContact CD1-CB 3.78Å; Y419-E531 HydrophobicContact CD1-CG 4.03Å; Y419-E531 HydrophobicContact CE1-CB 3.67Å; Y419-E531 HydrophobicContact CE1-CG 3.71Å; Y419-E531 WeakPolarHBondContact CE1-OE2 3.44Å; Y419-E531 PolarHBondContact OH-OE2 3.41Å; E531-T533 HydrophobicContact CB-CG2 4.34Å; E531-T533 HydrophobicContact CG-CG2 4.25Å; E531-T533 PolarHBondContact O-N 3.26Å |
| 532 | F | 96.6 | Very high | 87.2 | Confident | 4 Ų | 4 | 70.8 Ų | 70.8 | 2% | 0.018 | 35% | 0.346 | C | S | . | . | trans | -77.2 | 111.2 | 164.6 | -74.5 | -53.6 | 0 | 0 | 0 | 109.3 | Q418 Y420 I463 R467 V469 K470 L503 | Q418-F532 HydrophobicContact CB-CB 4.23Å; Q418-F532 HydrophobicContact CB-CD2 4.27Å; Q418-F532 PolarHBondContact O-N 3Å; Y420-F532 AromaticContact CD1-CD1 3.58Å; Y420-F532 HydrophobicContact CD1-CD1 3.58Å; Y420-F532 AromaticContact CD1-CD2 3.71Å; Y420-F532 HydrophobicContact CD1-CD2 3.71Å; Y420-F532 AromaticContact CD1-CE1 3.4Å; Y420-F532 HydrophobicContact CD1-CE1 3.4Å; Y420-F532 VanDerWaalsContact CD1-CE1 3.4Å; Y420-F532 AromaticContact CD1-CE2 3.56Å; Y420-F532 HydrophobicContact CD1-CE2 3.56Å; Y420-F532 AromaticContact CD1-CG 3.71Å; Y420-F532 HydrophobicContact CD1-CG 3.71Å; Y420-F532 AromaticContact CD1-CZ 3.4Å; Y420-F532 HydrophobicContact CD1-CZ 3.4Å; Y420-F532 HydrophobicContact CD2-CE1 4.35Å; Y420-F532 AromaticContact CD2-CZ 3.97Å; Y420-F532 HydrophobicContact CD2-CZ 3.97Å; Y420-F532 AromaticContact CE1-CD1 3.57Å; Y420-F532 HydrophobicContact CE1-CD1 3.57Å; Y420-F532 AromaticContact CE1-CE1 3.43Å; Y420-F532 HydrophobicContact CE1-CE1 3.43Å; Y420-F532 VanDerWaalsContact CE1-CE1 3.43Å; Y420-F532 HydrophobicContact CE1-CE2 4.43Å; Y420-F532 HydrophobicContact CE1-CG 4.13Å; Y420-F532 AromaticContact CE1-CZ 3.9Å; Y420-F532 HydrophobicContact CE1-CZ 3.9Å; Y420-F532 HydrophobicContact CE2-CE1 4.37Å; Y420-F532 HydrophobicContact CE2-CZ 4.41Å; Y420-F532 HydrophobicContact CG-CD1 4.45Å; Y420-F532 HydrophobicContact CG-CD2 4.19Å; Y420-F532 AromaticContact CG-CE1 3.89Å; Y420-F532 HydrophobicContact CG-CE1 3.89Å; Y420-F532 AromaticContact CG-CE2 3.61Å; Y420-F532 HydrophobicContact CG-CE2 3.61Å; Y420-F532 AromaticContact CG-CZ 3.43Å; Y420-F532 HydrophobicContact CG-CZ 3.43Å; Y420-F532 VanDerWaalsContact CG-CZ 3.43Å; Y420-F532 AromaticContact CZ-CE1 3.94Å; I463-F532 HydrophobicContact CD1-CE2 3.91Å; I463-F532 HydrophobicContact CD1-CZ 4.2Å; R467-F532 HydrophobicContact CG-CZ 4.21Å; R467-F532 WeakPolarHBondContact O-CE1 3.4Å; R467-F532 WeakPolarHBondContact O-CZ 3.14Å; V469-F532 WeakPolarHBondContact O-CE1 3.41Å; K470-F532 HydrophobicContact CB-CB 4.39Å; K470-F532 WeakPolarHBondContact CE-O 3.48Å; K470-F532 HydrophobicContact CG-CB 3.57Å; L503-F532 HydrophobicContact CD1-CD2 3.79Å; L503-F532 HydrophobicContact CD1-CE2 3.86Å | ||
| 533 | T | 93.1 | Very high | 85.7 | Confident | 96 Ų | 96 | 71.9 Ų | 71.9 | 59% | 0.589 | 36% | 0.356 | S | S | * | . | trans | -104.7 | -11.8 | -178.6 | 55.1 | 0 | 0 | 0 | 0 | 113.5 | E531 | E531-T533 HydrophobicContact CB-CG2 4.34Å; E531-T533 HydrophobicContact CG-CG2 4.25Å; E531-T533 PolarHBondContact O-N 3.26Å | ||
| 534 | L | 93 | Very high | 84.3 | Confident | 51 Ų | 51 | 80.4 Ų | 80.4 | 27% | 0.267 | 39% | 0.393 | S | S | . | . | trans | -111.4 | 136.1 | -175.6 | -58.2 | 175.8 | 0 | 0 | 0 | 110.8 | V469 K470 Q538 | V469-L534 WeakPolarHBondContact CB-O 3.35Å; V469-L534 HydrophobicContact CG1-CB 4.17Å; K470-L534 PolarHBondContact N-O 2.78Å; L534-Q538 HydrophobicContact CD1-CB 4.25Å; L534-Q538 HydrophobicContact CD1-CG 3.65Å; L534-Q538 HydrophobicContact CD2-CG 3.92Å; L534-Q538 HydrophobicContact CG-CG 4.41Å | ||
| 535 | D | 91.2 | Very high | 83.4 | Confident | 71 Ų | 71 | 86.9 Ų | 86.9 | 38% | 0.38 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -81.7 | -34 | 174.6 | -57.6 | -65.3 | 0 | 0 | 0 | 112.3 | K470 H472 M679 | K470-D535 WeakPolarHBondContact CD-OD1 3.47Å; H472-D535 IonicContact CE1-OD1 3.14Å; H472-D535 PolarHBondContact CE1-OD1 2.9Å; H472-D535 VanDerWaalsContact CE1-OD1 3.3Å; H472-D535 PolarHBondContact NE2-O 3.46Å; H472-D535 VanDerWaalsContact NE2-O 3.16Å; H472-D535 IonicContact NE2-OD1 3.07Å; D535-M679 HydrophobicContact CB-CE 4.02Å; D535-M679 HydrophobicContact CB-SD 3.86Å |
| 536 | I | 88 | Confident | 82.8 | Confident | 88 Ų | 88 | 86.3 Ų | 86.3 | 45% | 0.451 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -134.3 | 154.1 | 178.8 | 58 | 172.5 | 0 | 0 | 0 | 110.5 | Q538 F678 M679 | I536-Q538 PolarHBondContact O-N 2.87Å; I536-F678 HydrophobicContact CG2-CB 3.94Å; I536-F678 HydrophobicContact CG2-CD2 4.24Å; I536-M679 HydrophobicContact CG2-SD 4.3Å |
| 537 | P | 84.3 | Confident | 82.4 | Confident | 24 Ų | 24 | 77.7 Ų | 77.7 | 16% | 0.156 | 40% | 0.396 | C | S | . | . | trans | -59.3 | 129.9 | -178.5 | -23.7 | 32.2 | 0 | 0 | 0 | 111.5 | V469 N539 Y605 | V469-P537 HydrophobicContact CG1-CG 4.2Å; P537-N539 PolarHBondContact O-N 3.33Å; P537-Y605 HydrophobicContact CG-CD1 3.61Å; P537-Y605 HydrophobicContact CG-CD2 3.45Å; P537-Y605 VanDerWaalsContact CG-CD2 3.45Å; P537-Y605 HydrophobicContact CG-CE1 3.66Å; P537-Y605 HydrophobicContact CG-CE2 3.5Å; P537-Y605 HydrophobicContact CG-CG 3.5Å | ||
| 538 | Q | 76.7 | Confident | 81.9 | Confident | 146 Ų | 146 | 83.5 Ų | 83.5 | 68% | 0.682 | 42% | 0.421 | S | S | * | . | trans | -65.7 | 134 | 175.9 | -85.2 | -177.6 | 1.9 | 0 | 0 | 111.1 | L534 I536 G540 | L534-Q538 HydrophobicContact CD1-CB 4.25Å; L534-Q538 HydrophobicContact CD1-CG 3.65Å; L534-Q538 HydrophobicContact CD2-CG 3.92Å; L534-Q538 HydrophobicContact CG-CG 4.41Å; I536-Q538 PolarHBondContact O-N 2.87Å; Q538-G540 PolarHBondContact O-N 2.61Å; Q538-G540 VanDerWaalsContact O-N 3.11Å | ||
| 539 | N | 70.5 | Confident | 81.7 | Confident | 68 Ų | 68 | 79.9 Ų | 79.9 | 36% | 0.364 | 41% | 0.405 | S | S | . | . | trans | -74 | 99.2 | 169.1 | -77 | -42.9 | 0 | 0 | 0 | 108.2 | P537 | P537-N539 PolarHBondContact O-N 3.33Š| ||
| 540 | G | 66.6 | Low | 81.3 | Confident | 47 Ų | 47 | 85.3 Ų | 85.3 | 49% | 0.485 | 43% | 0.427 | S | S | . | . | trans | -57.8 | 170.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q538 L542 S543 | Q538-G540 PolarHBondContact O-N 2.61Å; Q538-G540 VanDerWaalsContact O-N 3.11Å; G540-L542 PolarHBondContact O-N 2.8Å; G540-S543 WeakPolarHBondContact O-CB 3.43Å; G540-S543 PolarHBondContact O-N 2.89Å; G540-S543 PolarHBondContact O-OG 3.4Å | ||
| 541 | F | 65.6 | Low | 81.1 | Confident | 177 Ų | 177 | 79.5 Ų | 79.5 | 78% | 0.776 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -28.9 | -176.9 | 107.5 | -92.8 | 0 | 0 | 0 | 113.2 | S543 | F541-S543 PolarHBondContact O-N 2.55Š|
| 542 | L | 67.1 | Low | 80.9 | Confident | 78 Ų | 78 | 75.5 Ų | 75.5 | 41% | 0.408 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -2.6 | 176.4 | -64.9 | 174.3 | 0 | 0 | 0 | 114.1 | G540 F544 F545 I546 | G540-L542 PolarHBondContact O-N 2.8Å; L542-F544 PolarHBondContact O-N 2.79Å; L542-F544 VanDerWaalsContact O-N 3.15Å; L542-F545 HydrophobicContact CD2-CD2 4.23Å; L542-F545 PolarHBondContact O-N 3.28Å; L542-I546 HydrophobicContact CB-CD1 3.56Å; L542-I546 HydrophobicContact CB-CG1 4.1Å; L542-I546 HydrophobicContact CD1-CD1 4.28Å; L542-I546 WeakPolarHBondContact O-CG1 3.46Å; L542-I546 PolarHBondContact O-N 2.98Å |
| 543 | S | 65.7 | Low | 80.8 | Confident | 36 Ų | 36 | 75.3 Ų | 75.3 | 25% | 0.252 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -59.2 | -26.5 | -179.4 | 58.1 | 0 | 0 | 0 | 0 | 113.3 | G540 F541 F545 G547 | G540-S543 WeakPolarHBondContact O-CB 3.43Å; G540-S543 PolarHBondContact O-N 2.89Å; G540-S543 PolarHBondContact O-OG 3.4Å; F541-S543 PolarHBondContact O-N 2.55Å; S543-F545 PolarHBondContact O-N 3.24Å; S543-G547 WeakPolarHBondContact O-CA 3.49Å; S543-G547 PolarHBondContact O-N 3Å |
| 544 | F | 67 | Low | 81 | Confident | 178 Ų | 178 | 72 Ų | 72 | 78% | 0.781 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -58.3 | -36.3 | 170.8 | -174.7 | -96.9 | 0 | 0 | 0 | 112.2 | L542 | L542-F544 PolarHBondContact O-N 2.79Å; L542-F544 VanDerWaalsContact O-N 3.15Å |
| 545 | F | 73.4 | Confident | 81.1 | Confident | 157 Ų | 157 | 69.6 Ų | 69.6 | 69% | 0.689 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -92.8 | -35.6 | 179.5 | -59.4 | -73.3 | 0 | 0 | 0 | 113.3 | L542 S543 | L542-F545 HydrophobicContact CD2-CD2 4.23Å; L542-F545 PolarHBondContact O-N 3.28Å; S543-F545 PolarHBondContact O-N 3.24Å |
| 546 | I | 73.3 | Confident | 81.4 | Confident | 62 Ų | 62 | 66.9 Ų | 66.9 | 32% | 0.318 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -87 | -23.7 | -173.3 | -54.7 | 173.4 | 0 | 0 | 0 | 111.3 | L542 Y582 | L542-I546 HydrophobicContact CB-CD1 3.56Å; L542-I546 HydrophobicContact CB-CG1 4.1Å; L542-I546 HydrophobicContact CD1-CD1 4.28Å; L542-I546 WeakPolarHBondContact O-CG1 3.46Å; L542-I546 PolarHBondContact O-N 2.98Å; I546-Y582 HydrophobicContact CG2-CE2 4.15Å |
| 547 | G | 77.1 | Confident | 81.8 | Confident | 31 Ų | 31 | 62.7 Ų | 62.7 | 32% | 0.32 | 31% | 0.314 | S | S | . | . | trans | 84.3 | 164.9 | -174 | 0 | 0 | 0 | 0 | 0 | 113 | S543 R607 | S543-G547 WeakPolarHBondContact O-CA 3.49Å; S543-G547 PolarHBondContact O-N 3Å; G547-R607 VanDerWaalsContact O-CD 3.28Å; G547-R607 WeakPolarHBondContact O-CD 3.23Å; G547-R607 PolarHBondContact O-NE 2.53Å | ||
| 548 | K | 83.7 | Confident | 82.4 | Confident | 125 Ų | 125 | 63 Ų | 63 | 54% | 0.543 | 31% | 0.314 | S | S | . | . | trans | -83.1 | 149.5 | 175.3 | -60.3 | -172.5 | 177.9 | 177.7 | 0 | 110.6 | K550 | K548-K550 PolarHBondContact O-N 3.06Š| ||
| 549 | P | 89 | Confident | 83.4 | Confident | 7 Ų | 7 | 57.3 Ų | 57.3 | 5% | 0.045 | 29% | 0.29 | C | S | . | . | trans | -59.4 | 136.2 | 169.5 | -19.3 | 31.4 | 0 | 0 | 0 | 111.1 | Y605 R606 R607 Q675 F678 | P549-Y605 HydrophobicContact CB-CD1 4.48Å; P549-R606 CarbonylContact C-O 3.6Å; P549-R606 WeakPolarHBondContact CA-O 3.27Å; P549-R607 HydrophobicContact CB-CG 4.47Å; P549-R607 HydrophobicContact CG-CG 4.4Å; P549-Q675 WeakPolarHBondContact O-CG 3.4Å; P549-Q675 PolarHBondContact O-OE1 3.41Å; P549-F678 HydrophobicContact CB-CE2 3.9Å; P549-F678 HydrophobicContact CB-CZ 3.9Å | ||
| 550 | K | 90.6 | Very high | 84.7 | Confident | 121 Ų | 121 | 54.2 Ų | 54.2 | 53% | 0.526 | 27% | 0.273 | S | S | . | . | trans | -108.8 | -26 | -177.7 | -62.1 | -176.7 | -178.6 | -178.8 | 0 | 112.7 | K548 R606 L609 Q675 | K548-K550 PolarHBondContact O-N 3.06Å; K550-R606 PolarHBondContact N-O 3.18Å; K550-L609 HydrophobicContact CB-CD2 4.44Å; K550-Q675 PolarHBondContact O-N 3.08Å | ||
| 551 | E | 92.8 | Very high | 86.1 | Confident | 18 Ų | 18 | 53 Ų | 53 | 8% | 0.084 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 141.2 | -178.2 | -173.1 | -171.1 | -142.2 | 0 | 0 | 108.9 | V553 Y605 R606 L609 S672 V673 | E551-V553 HydrophobicContact CG-CG2 3.94Å; E551-V553 WeakPolarHBondContact OE2-CG2 3.49Å; E551-Y605 CarbonylContact O-C 3.53Å; E551-R606 HydrophobicContact CB-CB 4.49Å; E551-R606 PolarHBondContact N-O 3.33Å; E551-R606 PolarHBondContact O-N 3.34Å; E551-R606 IonicContact OE2-CZ 3.97Å; E551-R606 IonicContact OE2-NH1 2.72Å; E551-R606 PolarHBondContact OE2-NH1 3.44Å; E551-L609 HydrophobicContact CB-CD2 3.63Å; E551-S672 WeakPolarHBondContact OE1-CB 3.49Å; E551-S672 PolarHBondContact OE1-OG 3.17Å; E551-V673 WeakPolarHBondContact CA-O 3.3Å; E551-V673 WeakPolarHBondContact CG-O 3.41Å |
| 552 | A | 93.9 | Very high | 87.4 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 128.8 | 168.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | F604 Y605 S672 V673 F678 I681 | A552-F604 CarbonylContact C-O 3.57Å; A552-F604 WeakPolarHBondContact CA-O 3.43Å; A552-Y605 HydrophobicContact CB-CD1 3.78Å; A552-Y605 HydrophobicContact CB-CE1 3.71Å; A552-S672 VanDerWaalsContact O-CA 3.25Å; A552-S672 WeakPolarHBondContact O-CA 3.41Å; A552-V673 HydrophobicContact CB-CG2 3.93Å; A552-V673 PolarHBondContact N-O 2.94Å; A552-V673 PolarHBondContact O-N 3.42Å; A552-F678 HydrophobicContact CB-CD1 3.78Å; A552-F678 HydrophobicContact CB-CE1 3.72Å; A552-F678 HydrophobicContact CB-CZ 4.48Å; A552-F678 VanDerWaalsContact N-CE1 3.33Å; A552-I681 HydrophobicContact CB-CD1 4.15Å; A552-I681 HydrophobicContact CB-CG2 3.9Å |
| 553 | V | 94.9 | Very high | 88.7 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 116.9 | -176.5 | -178.3 | 0 | 0 | 0 | 0 | 108.8 | E551 F604 R606 I613 I639 F670 | E551-V553 HydrophobicContact CG-CG2 3.94Å; E551-V553 WeakPolarHBondContact OE2-CG2 3.49Å; V553-F604 PolarHBondContact N-O 3.03Å; V553-F604 PolarHBondContact O-N 3.11Å; V553-R606 VanDerWaalsContact CG2-CD 3.47Å; V553-R606 HydrophobicContact CG2-CG 4.25Å; V553-I613 HydrophobicContact CB-CD1 4.39Å; V553-I613 HydrophobicContact CG1-CD1 3.95Å; V553-I639 HydrophobicContact CG1-CG2 3.96Å; V553-I639 HydrophobicContact CG2-CG2 4.04Å; V553-F670 HydrophobicContact CG1-CD1 3.59Å; V553-F670 HydrophobicContact CG1-CE1 4.15Å; V553-F670 HydrophobicContact CG1-CG 4.5Å |
| 554 | R | 95.7 | Very high | 89.9 | Confident | 27 Ų | 27 | 46.8 Ų | 46.8 | 10% | 0.102 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 122.7 | 167.2 | -177.5 | 178.9 | -167.5 | -88.5 | -0.7 | 108.4 | E464 F476 Y601 F602 L603 F670 Y671 I681 | E464-R554 HydrophobicContact CG-CG 4.26Å; E464-R554 WeakPolarHBondContact OE1-CD 3.35Å; E464-R554 IonicContact OE1-CZ 2.96Å; E464-R554 IonicContact OE1-NE 3.43Å; E464-R554 PolarHBondContact OE1-NE 3.42Å; E464-R554 IonicContact OE1-NH2 3.77Å; F476-R554 PolarHBondContact O-NH2 3.44Å; R554-Y601 VanDerWaalsContact NH1-CE1 3.31Å; R554-F602 CarbonylContact C-O 3.58Å; R554-F602 VanDerWaalsContact CA-O 3.3Å; R554-F602 WeakPolarHBondContact CA-O 3.47Å; R554-L603 HydrophobicContact CB-CD1 4.31Å; R554-F670 WeakPolarHBondContact O-CA 3.4Å; R554-Y671 PolarHBondContact N-O 2.98Å; R554-Y671 PolarHBondContact O-N 2.64Å; R554-I681 HydrophobicContact CB-CD1 3.84Å; R554-I681 HydrophobicContact CB-CG1 4.27Å |
| 555 | L | 96.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 126.9 | 177.3 | 165.7 | 64.6 | 0 | 0 | 0 | 108.9 | V557 I578 Y601 F602 F604 I615 I668 F670 | L555-V557 HydrophobicContact CD1-CG2 4.22Å; L555-V557 HydrophobicContact CD2-CG2 3.89Å; L555-V557 HydrophobicContact CG-CG2 3.89Å; L555-I578 HydrophobicContact CD2-CD1 4.1Å; L555-I578 HydrophobicContact CD2-CG1 4.25Å; L555-I578 HydrophobicContact CD2-CG2 3.77Å; L555-Y601 CarbonylContact O-C 3.45Å; L555-Y601 VanDerWaalsContact O-CA 3.32Å; L555-Y601 WeakPolarHBondContact O-CA 3.38Å; L555-F602 PolarHBondContact N-O 3.02Å; L555-F602 PolarHBondContact O-N 3.45Å; L555-F604 HydrophobicContact CB-CE2 4.26Å; L555-F604 HydrophobicContact CD2-CE2 4.17Å; L555-I615 HydrophobicContact CD1-CD1 4.36Å; L555-I615 HydrophobicContact CD2-CD1 3.82Å; L555-I668 HydrophobicContact CD1-CB 4.04Å; L555-I668 HydrophobicContact CD1-CD1 4.24Å; L555-I668 HydrophobicContact CD1-CG2 4.17Å; L555-F670 HydrophobicContact CB-CD1 4.07Å; L555-F670 HydrophobicContact CB-CE1 3.94Å; L555-F670 HydrophobicContact CD1-CD1 3.89Å; L555-F670 HydrophobicContact CD1-CE1 3.49Å; L555-F670 VanDerWaalsContact CD1-CE1 3.49Å; L555-F670 HydrophobicContact CD1-CZ 3.88Å; L555-F670 HydrophobicContact CD2-CE1 4.42Å; L555-F670 HydrophobicContact CG-CE1 4.12Å |
| 556 | H | 96.8 | Very high | 91.2 | Very high | 15 Ų | 15 | 37.5 Ų | 37.5 | 7% | 0.069 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 118 | 167 | -174.6 | -177.8 | 0 | 0 | 0 | 109.3 | H558 N599 Y601 I668 E669 | H556-H558 AromaticContact CE1-CE1 3.15Å; H556-H558 PolarHBondContact CE1-CE1 3.5Å; H556-H558 AromaticContact CE1-ND1 3.25Å; H556-H558 PolarHBondContact CE1-ND1 2.67Å; H556-H558 AromaticContact CE1-NE2 3.89Å; H556-H558 AromaticContact CG-CE1 3.85Å; H556-H558 AromaticContact CG-NE2 3.84Å; H556-H558 AromaticContact ND1-CE1 3.09Å; H556-H558 PolarHBondContact ND1-CE1 2.87Å; H556-H558 AromaticContact ND1-ND1 3.62Å; H556-H558 AromaticContact ND1-NE2 3.44Å; H556-H558 PolarHBondContact ND1-NE2 3.11Å; H556-H558 AromaticContact NE2-CE1 3.92Å; H556-H558 AromaticContact NE2-ND1 3.64Å; H556-N599 PolarHBondContact CE1-OD1 2.95Å; H556-N599 VanDerWaalsContact CE1-OD1 3.28Å; H556-N599 PolarHBondContact NE2-OD1 3.39Å; H556-Y601 HydrophobicContact CB-CD1 3.69Å; H556-Y601 HydrophobicContact CB-CE1 3.73Å; H556-Y601 AromaticContact CD2-CD1 3.73Å; H556-Y601 AromaticContact CD2-CE1 3.42Å; H556-Y601 VanDerWaalsContact CD2-CE1 3.42Å; H556-Y601 WeakPolarHBondContact CD2-CE1 3.45Å; H556-Y601 AromaticContact CD2-CZ 3.77Å; H556-Y601 AromaticContact CE1-CE1 3.52Å; H556-Y601 AromaticContact CE1-CZ 3.55Å; H556-Y601 PolarHBondContact CE1-OH 2.95Å; H556-Y601 AromaticContact CG-CD1 3.63Å; H556-Y601 AromaticContact CG-CE1 3.24Å; H556-Y601 AromaticContact CG-CZ 3.98Å; H556-Y601 AromaticContact ND1-CE1 3.3Å; H556-Y601 VanDerWaalsContact ND1-CE1 3.3Å; H556-Y601 WeakPolarHBondContact ND1-CE1 3.41Å; H556-Y601 AromaticContact ND1-CZ 3.84Å; H556-Y601 AromaticContact NE2-CE1 3.59Å; H556-Y601 AromaticContact NE2-CZ 3.5Å; H556-Y601 PolarHBondContact NE2-OH 3.3Å; H556-I668 CarbonylContact O-C 3.59Å; H556-I668 VanDerWaalsContact O-CA 3.23Å; H556-I668 WeakPolarHBondContact O-CA 3.42Å; H556-E669 HydrophobicContact CB-CB 4.2Å; H556-E669 PolarHBondContact N-O 3.47Å; H556-E669 PolarHBondContact O-N 3.39Å |
| 557 | V | 97.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 102.2 | 172 | -174.8 | 0 | 0 | 0 | 0 | 108.4 | L555 I578 T587 W598 N599 E600 F602 I615 L666 | L555-V557 HydrophobicContact CD1-CG2 4.22Å; L555-V557 HydrophobicContact CD2-CG2 3.89Å; L555-V557 HydrophobicContact CG-CG2 3.89Å; V557-I578 HydrophobicContact CG2-CD1 4Å; V557-T587 HydrophobicContact CB-CG2 4.42Å; V557-T587 HydrophobicContact CG1-CG2 4.3Å; V557-W598 HydrophobicContact CG1-CD2 4.49Å; V557-W598 HydrophobicContact CG1-CE3 3.86Å; V557-W598 HydrophobicContact CG1-CZ3 4.42Å; V557-N599 WeakPolarHBondContact O-CA 3.27Å; V557-N599 PolarHBondContact O-N 2.64Å; V557-E600 PolarHBondContact N-O 2.87Å; V557-E600 PolarHBondContact O-N 3.26Å; V557-E600 VanDerWaalsContact O-N 3.08Å; V557-F602 HydrophobicContact CG2-CD2 4.24Å; V557-F602 HydrophobicContact CG2-CE2 4.18Å; V557-I615 HydrophobicContact CG2-CD1 4.5Å; V557-L666 HydrophobicContact CG1-CD1 4.32Å |
| 558 | H | 96.5 | Very high | 91.7 | Very high | 31 Ų | 31 | 39.8 Ų | 39.8 | 14% | 0.144 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | -67.2 | -176.9 | -63 | -94.9 | 0 | 0 | 0 | 111 | H556 W598 N599 F667 E669 | H556-H558 AromaticContact CE1-CE1 3.15Å; H556-H558 PolarHBondContact CE1-CE1 3.5Å; H556-H558 AromaticContact CE1-ND1 3.25Å; H556-H558 PolarHBondContact CE1-ND1 2.67Å; H556-H558 AromaticContact CE1-NE2 3.89Å; H556-H558 AromaticContact CG-CE1 3.85Å; H556-H558 AromaticContact CG-NE2 3.84Å; H556-H558 AromaticContact ND1-CE1 3.09Å; H556-H558 PolarHBondContact ND1-CE1 2.87Å; H556-H558 AromaticContact ND1-ND1 3.62Å; H556-H558 AromaticContact ND1-NE2 3.44Å; H556-H558 PolarHBondContact ND1-NE2 3.11Å; H556-H558 AromaticContact NE2-CE1 3.92Å; H556-H558 AromaticContact NE2-ND1 3.64Å; H558-W598 PolarHBondContact O-N 3.16Å; H558-N599 PolarHBondContact O-N 2.98Å; H558-F667 HydrophobicContact CB-CB 4.09Å; H558-F667 WeakPolarHBondContact CB-O 3.48Å; H558-F667 PolarHBondContact N-O 3.11Å; H558-E669 IonicContact CE1-OE2 3.07Å; H558-E669 IonicContact NE2-OE2 3.36Å |
| 559 | S | 97.6 | Very high | 91.7 | Very high | 26 Ų | 26 | 41.9 Ų | 41.9 | 18% | 0.182 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.5 | 169.5 | -167.2 | 58.8 | 0 | 0 | 0 | 0 | 111.2 | P596 F667 | S559-P596 CarbonylContact C-O 3.49Å; S559-P596 WeakPolarHBondContact CA-O 3.48Å; S559-P596 WeakPolarHBondContact CB-O 3.43Å; S559-F667 PolarHBondContact N-O 3.35Å; S559-F667 PolarHBondContact O-N 3.03Å; S559-F667 WeakPolarHBondContact OG-CD2 3.42Å |
| 560 | A | 97 | Very high | 91.6 | Very high | 2 Ų | 2 | 46.2 Ų | 46.2 | 2% | 0.017 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 155.5 | 162.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | L563 N595 P596 W598 I617 S665 L666 | A560-L563 HydrophobicContact CB-CD1 3.95Å; A560-L563 HydrophobicContact CB-CD2 3.99Å; A560-L563 HydrophobicContact CB-CG 4.02Å; A560-N595 CarbonylContact O-C 3.5Å; A560-N595 VanDerWaalsContact O-CA 3.24Å; A560-N595 WeakPolarHBondContact O-CA 3.35Å; A560-P596 HydrophobicContact CB-CG 3.86Å; A560-P596 PolarHBondContact N-O 3.07Å; A560-P596 WeakPolarHBondContact O-CD 2.92Å; A560-W598 HydrophobicContact CB-CH2 3.76Å; A560-W598 HydrophobicContact CB-CZ3 3.67Å; A560-I617 HydrophobicContact CB-CD1 4.17Å; A560-S665 CarbonylContact C-O 3.58Å; A560-S665 WeakPolarHBondContact CA-O 3.43Å; A560-S665 VanDerWaalsContact CB-O 3.32Å; A560-S665 WeakPolarHBondContact CB-O 3.48Å; A560-L666 HydrophobicContact CB-CD1 4.29Å |
| 561 | S | 96.2 | Very high | 91.6 | Very high | 21 Ų | 21 | 42.2 Ų | 42.2 | 15% | 0.147 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 150.3 | 176.7 | 82.7 | 0 | 0 | 0 | 0 | 111.6 | L563 N595 G664 S665 | S561-L563 PolarHBondContact O-N 2.75Å; S561-L563 VanDerWaalsContact O-N 3.14Å; S561-N595 WeakPolarHBondContact CA-OD1 3.36Å; S561-G664 CarbonylContact O-C 3.52Å; S561-G664 WeakPolarHBondContact O-CA 3.48Å; S561-S665 PolarHBondContact N-O 3.15Å; S561-S665 PolarHBondContact O-N 3.44Å; S561-S665 PolarHBondContact OG-OG 2.77Å |
| 562 | N | 94.2 | Very high | 91.5 | Very high | 91 Ų | 91 | 41.4 Ų | 41.4 | 49% | 0.487 | 23% | 0.225 | S | C | . | . | S | Bend | trans | 54.8 | 34.2 | 169.7 | -62.2 | -59.8 | 0 | 0 | 0 | 114.7 | N594 N595 K663 G664 | N562-N594 PolarHBondContact N-O 3.01Å; N562-N595 PolarHBondContact N-OD1 2.85Å; N562-K663 WeakPolarHBondContact O-CG 3.41Å; N562-G664 WeakPolarHBondContact O-CA 3.46Å; N562-G664 PolarHBondContact O-N 2.98Å |
| 563 | L | 93.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | trans | -59.5 | 146.5 | 179 | -65.9 | 177.9 | 0 | 0 | 0 | 111.6 | A560 S561 P572 P574 N594 P596 I617 L629 L649 | A560-L563 HydrophobicContact CB-CD1 3.95Å; A560-L563 HydrophobicContact CB-CD2 3.99Å; A560-L563 HydrophobicContact CB-CG 4.02Å; S561-L563 PolarHBondContact O-N 2.75Å; S561-L563 VanDerWaalsContact O-N 3.14Å; L563-P572 HydrophobicContact CB-CG 4.32Å; L563-P574 HydrophobicContact CD1-CB 3.64Å; L563-P574 HydrophobicContact CD1-CG 3.8Å; L563-N594 PolarHBondContact N-O 3.27Å; L563-P596 HydrophobicContact CD1-CG 3.85Å; L563-I617 HydrophobicContact CD1-CG2 4.2Å; L563-I617 HydrophobicContact CD2-CD1 4.06Å; L563-L629 HydrophobicContact CD1-CD1 4.21Å; L563-L649 HydrophobicContact CD2-CD1 3.72Å | ||
| 564 | L | 89.8 | Confident | 91.7 | Very high | 70 Ų | 70 | 42.4 Ų | 42.4 | 37% | 0.366 | 23% | 0.232 | S | C | . | . | trans | -63.8 | 142.3 | 177.7 | -173.7 | 64.9 | 0 | 0 | 0 | 111.2 | P566 K663 | L564-P566 WeakPolarHBondContact O-CD 2.92Å; L564-K663 HydrophobicContact CB-CB 4.11Å; L564-K663 HydrophobicContact CD1-CB 4.36Å; L564-K663 HydrophobicContact CD1-CD 4.05Å | ||
| 565 | W | 87.1 | Confident | 91.7 | Very high | 89 Ų | 89 | 42 Ų | 42 | 34% | 0.337 | 23% | 0.231 | S | C | . | . | trans | -93.5 | 108.4 | 170 | -65.2 | 20.2 | 0 | 0 | 0 | 107.4 | D567 G568 K569 P571 | W565-D567 VanDerWaalsContact C-N 3.3Å; W565-D567 PolarHBondContact O-N 3.14Å; W565-G568 PolarHBondContact O-N 2.85Å; W565-G568 VanDerWaalsContact O-N 3.08Å; W565-K569 VanDerWaalsContact CZ3-O 3.31Å; W565-K569 WeakPolarHBondContact CZ3-O 3.19Å; W565-P571 HydrophobicContact CZ2-CB 4.01Å | ||
| 566 | P | 81.3 | Confident | 91.8 | Very high | 52 Ų | 52 | 42 Ų | 42 | 34% | 0.338 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -35.2 | -169.6 | -27.5 | 38 | 0 | 0 | 0 | 114.4 | L564 D619 V627 L629 | L564-P566 WeakPolarHBondContact O-CD 2.92Å; P566-D619 HydrophobicContact CG-CB 4.46Å; P566-D619 WeakPolarHBondContact CG-OD2 3.08Å; P566-V627 HydrophobicContact CB-CG1 3.9Å; P566-V627 HydrophobicContact CG-CB 4.41Å; P566-V627 HydrophobicContact CG-CG1 3.95Å; P566-L629 HydrophobicContact CG-CD2 3.62Å |
| 567 | D | 81 | Confident | 91.8 | Very high | 84 Ų | 84 | 42.7 Ų | 42.7 | 45% | 0.449 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | -3.8 | 177.6 | 69 | -4.7 | 0 | 0 | 0 | 113.1 | W565 K569 N570 | W565-D567 VanDerWaalsContact C-N 3.3Å; W565-D567 PolarHBondContact O-N 3.14Å; D567-K569 PolarHBondContact O-N 3.22Å; D567-K569 PolarHBondContact OD1-N 3.05Å; D567-N570 PolarHBondContact OD1-N 2.98Å; D567-N570 PolarHBondContact OD2-ND2 2.84Å |
| 568 | G | 80.7 | Confident | 91.8 | Very high | 57 Ų | 57 | 42.7 Ų | 42.7 | 59% | 0.588 | 24% | 0.235 | S | C | * | . | S | Bend | trans | 66.4 | 4.6 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | W565 | W565-G568 PolarHBondContact O-N 2.85Å; W565-G568 VanDerWaalsContact O-N 3.08Å |
| 569 | K | 83.3 | Confident | 91.8 | Very high | 168 Ų | 168 | 44.6 Ų | 44.6 | 73% | 0.73 | 24% | 0.242 | S | C | * | . | S | Bend | trans | -120.7 | -42 | -173 | -69.5 | -177.4 | -178.9 | 179.3 | 0 | 113 | W565 D567 | W565-K569 VanDerWaalsContact CZ3-O 3.31Å; W565-K569 WeakPolarHBondContact CZ3-O 3.19Å; D567-K569 PolarHBondContact O-N 3.22Å; D567-K569 PolarHBondContact OD1-N 3.05Å |
| 570 | N | 86.8 | Confident | 91.7 | Very high | 99 Ų | 99 | 43.4 Ų | 43.4 | 53% | 0.529 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -113.1 | 140 | -177.2 | -60.2 | -67.1 | 0 | 0 | 0 | 109.9 | D567 | D567-N570 PolarHBondContact OD1-N 2.98Å; D567-N570 PolarHBondContact OD2-ND2 2.84Å |
| 571 | P | 90.1 | Very high | 91.4 | Very high | 36 Ų | 36 | 45.5 Ų | 45.5 | 23% | 0.234 | 24% | 0.244 | C | C | . | . | trans | -63.1 | 143.6 | 171.6 | 28.4 | -34.4 | 0 | 0 | 0 | 109.8 | W565 S592 | W565-P571 HydrophobicContact CZ2-CB 4.01Å; P571-S592 VanDerWaalsContact CG-O 3.31Å; P571-S592 WeakPolarHBondContact CG-O 3.31Å | ||
| 572 | P | 91.9 | Very high | 90.9 | Very high | 1 Ų | 1 | 51.7 Ų | 51.7 | 1% | 0.006 | 27% | 0.265 | C | S | . | . | trans | -66.9 | 160.7 | 178.4 | 29.9 | -35.4 | 0 | 0 | 0 | 111.1 | L563 P574 S592 N593 N594 D619 L629 | L563-P572 HydrophobicContact CB-CG 4.32Å; P572-P574 WeakPolarHBondContact O-CD 3.42Å; P572-S592 CarbonylContact O-C 3.58Å; P572-S592 VanDerWaalsContact O-CA 3.3Å; P572-S592 WeakPolarHBondContact O-CA 3.3Å; P572-S592 PolarHBondContact O-N 2.93Å; P572-N593 PolarHBondContact O-N 3.03Å; P572-N594 HydrophobicContact CG-CB 4.38Å; P572-D619 WeakPolarHBondContact CA-OD1 3.1Å; P572-D619 HydrophobicContact CB-CB 4.08Å; P572-L629 HydrophobicContact CB-CD1 3.89Å; P572-L629 HydrophobicContact CB-CD2 4.48Å; P572-L629 HydrophobicContact CG-CD1 4.21Å | ||
| 573 | S | 94.9 | Very high | 90.8 | Very high | 22 Ų | 22 | 50.8 Ų | 50.8 | 15% | 0.154 | 26% | 0.26 | C | S | . | . | trans | -105.1 | 77.5 | 166.2 | -64 | 0 | 0 | 0 | 0 | 110.7 | S590 S592 D619 K620 | S573-S590 CarbonylContact C-O 3.56Å; S573-S590 WeakPolarHBondContact CA-O 3.39Å; S573-S592 PolarHBondContact OG-N 2.88Å; S573-D619 PolarHBondContact N-OD1 3.05Å; S573-K620 WeakPolarHBondContact O-CB 3.05Å; S573-K620 PolarHBondContact O-N 3.11Å | ||
| 574 | P | 96.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 146.3 | -166 | 32.5 | -40.6 | 0 | 0 | 0 | 114.4 | L563 P572 S590 N593 P596 W598 I617 M618 L629 | L563-P574 HydrophobicContact CD1-CB 3.64Å; L563-P574 HydrophobicContact CD1-CG 3.8Å; P572-P574 WeakPolarHBondContact O-CD 3.42Å; P574-S590 WeakPolarHBondContact CD-O 3.43Å; P574-S590 PolarHBondContact O-N 3.45Å; P574-N593 WeakPolarHBondContact CD-O 3.48Å; P574-N593 VanDerWaalsContact CG-O 3.24Å; P574-N593 WeakPolarHBondContact CG-O 3.28Å; P574-P596 HydrophobicContact CB-CG 4.27Å; P574-P596 HydrophobicContact CG-CB 3.66Å; P574-P596 HydrophobicContact CG-CG 3.49Å; P574-P596 VanDerWaalsContact CG-CG 3.49Å; P574-W598 HydrophobicContact CB-CZ2 4.01Å; P574-W598 HydrophobicContact CG-CZ2 4.2Å; P574-I617 HydrophobicContact CB-CG2 4.01Å; P574-M618 CarbonylContact C-O 3.36Å; P574-M618 WeakPolarHBondContact CA-O 3.46Å; P574-L629 HydrophobicContact CB-CD1 4.04Å |
| 575 | Y | 96.8 | Very high | 91.2 | Very high | 19 Ų | 19 | 53 Ų | 53 | 8% | 0.075 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 155.1 | 165.2 | 70.7 | -80.6 | 0 | 0 | 0 | 110.5 | I577 Q586 I589 I617 M618 K620 D626 | Y575-I577 HydrophobicContact CD2-CG1 4.12Å; Y575-I577 HydrophobicContact CE2-CD1 3.89Å; Y575-I577 HydrophobicContact CE2-CG1 3.55Å; Y575-Q586 HydrophobicContact CD2-CB 4.39Å; Y575-I589 HydrophobicContact CD1-CG1 4.05Å; Y575-I589 HydrophobicContact CG-CG1 4.09Å; Y575-I617 WeakPolarHBondContact O-CA 3.15Å; Y575-M618 HydrophobicContact CD1-CB 3.94Å; Y575-M618 WeakPolarHBondContact CD1-O 3.22Å; Y575-M618 HydrophobicContact CE1-CB 3.41Å; Y575-M618 VanDerWaalsContact CE1-CB 3.41Å; Y575-M618 HydrophobicContact CE1-CG 4.43Å; Y575-M618 HydrophobicContact CE2-CB 4.08Å; Y575-M618 HydrophobicContact CE2-CG 4.34Å; Y575-M618 HydrophobicContact CG-CB 4.48Å; Y575-M618 VanDerWaalsContact CZ-CB 3.48Å; Y575-M618 PolarHBondContact N-O 3.42Å; Y575-M618 PolarHBondContact O-N 2.78Å; Y575-K620 HydrophobicContact CD1-CB 4.1Å; Y575-K620 HydrophobicContact CD1-CD 4.48Å; Y575-K620 HydrophobicContact CE1-CB 4.1Å; Y575-K620 HydrophobicContact CE1-CD 3.95Å; Y575-D626 WeakPolarHBondContact CE1-OD2 3.38Å; Y575-D626 PolarHBondContact OH-OD2 3.07Å |
| 576 | C | 97.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 135.4 | 177.9 | -65.9 | 0 | 0 | 0 | 0 | 110.7 | Q586 T587 W598 I615 Q616 | C576-Q586 CarbonylContact O-C 3.31Å; C576-Q586 WeakPolarHBondContact O-CA 2.87Å; C576-Q586 WeakPolarHBondContact O-CB 3.4Å; C576-T587 HydrophobicContact CB-CG2 3.78Å; C576-T587 PolarHBondContact N-OG1 3.27Å; C576-T587 PolarHBondContact O-N 3.16Å; C576-W598 VanDerWaalsContact SG-CH2 3.57Å; C576-I615 HydrophobicContact CB-CG2 3.89Å; C576-Q616 CarbonylContact C-O 3.55Å; C576-Q616 VanDerWaalsContact CA-O 3.32Å; C576-Q616 WeakPolarHBondContact CA-O 3.29Å |
| 577 | I | 97.6 | Very high | 92.3 | Very high | 28 Ų | 28 | 52.3 Ų | 52.3 | 14% | 0.144 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 117.6 | 164.6 | -57.6 | 175.3 | 0 | 0 | 0 | 107.1 | Y575 K579 T584 I615 Q616 M618 | Y575-I577 HydrophobicContact CD2-CG1 4.12Å; Y575-I577 HydrophobicContact CE2-CD1 3.89Å; Y575-I577 HydrophobicContact CE2-CG1 3.55Å; I577-K579 HydrophobicContact CG2-CG 4.23Å; I577-T584 HydrophobicContact CG2-CG2 3.63Å; I577-I615 CarbonylContact O-C 3.59Å; I577-I615 WeakPolarHBondContact O-CA 3.3Å; I577-Q616 HydrophobicContact CB-CB 4.39Å; I577-Q616 PolarHBondContact N-O 2.97Å; I577-Q616 PolarHBondContact O-N 3.33Å; I577-M618 HydrophobicContact CD1-CG 3.69Å; I577-M618 HydrophobicContact CG1-CG 4.17Å |
| 578 | I | 97.7 | Very high | 93 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 121.6 | -178.5 | -53.8 | 146.9 | 0 | 0 | 0 | 107.9 | L555 V557 T584 V585 T587 F602 F604 I613 E614 I615 | L555-I578 HydrophobicContact CD2-CD1 4.1Å; L555-I578 HydrophobicContact CD2-CG1 4.25Å; L555-I578 HydrophobicContact CD2-CG2 3.77Å; V557-I578 HydrophobicContact CG2-CD1 4Å; I578-T584 WeakPolarHBondContact O-CA 3.45Å; I578-V585 HydrophobicContact CB-CG2 3.85Å; I578-V585 HydrophobicContact CD1-CG2 4.05Å; I578-V585 HydrophobicContact CG2-CG2 4.44Å; I578-V585 PolarHBondContact N-O 3.19Å; I578-V585 PolarHBondContact O-N 2.9Å; I578-T587 HydrophobicContact CD1-CG2 4.39Å; I578-F602 HydrophobicContact CD1-CD1 4.35Å; I578-F602 HydrophobicContact CD1-CD2 3.41Å; I578-F602 VanDerWaalsContact CD1-CD2 3.41Å; I578-F602 HydrophobicContact CD1-CE1 4.3Å; I578-F602 HydrophobicContact CD1-CE2 3.37Å; I578-F602 HydrophobicContact CD1-CG 3.92Å; I578-F602 HydrophobicContact CD1-CZ 3.84Å; I578-F604 HydrophobicContact CB-CZ 4.23Å; I578-F604 HydrophobicContact CG2-CE1 4.43Å; I578-F604 HydrophobicContact CG2-CE2 3.82Å; I578-F604 HydrophobicContact CG2-CZ 3.46Å; I578-F604 VanDerWaalsContact CG2-CZ 3.46Å; I578-I613 HydrophobicContact CG2-CG2 3.99Å; I578-E614 CarbonylContact C-O 3.57Å; I578-E614 WeakPolarHBondContact CA-O 3.4Å; I578-I615 HydrophobicContact CB-CG1 4.5Å; I578-I615 HydrophobicContact CG1-CD1 4.36Å; I578-I615 HydrophobicContact CG1-CG1 4.05Å; I578-I615 HydrophobicContact CG1-CG2 4.37Å; I578-I615 HydrophobicContact CG2-CG1 4.19Å |
| 579 | K | 96.4 | Very high | 93.6 | Very high | 71 Ų | 71 | 51.6 Ų | 51.6 | 31% | 0.309 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 124.1 | 179.9 | -61.6 | 177.9 | -178.6 | 164.8 | 0 | 109.2 | I577 D583 T584 E614 | I577-K579 HydrophobicContact CG2-CG 4.23Å; K579-D583 WeakPolarHBondContact CA-O 3.39Å; K579-T584 HydrophobicContact CG-CG2 4.04Å; K579-E614 HydrophobicContact CB-CB 4.39Å; K579-E614 PolarHBondContact N-O 2.97Å; K579-E614 PolarHBondContact O-N 2.95Å |
| 580 | C | 94.6 | Very high | 94.1 | Very high | 2 Ų | 2 | 44.7 Ų | 44.7 | 1% | 0.014 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 107 | 174.4 | 179 | 0 | 0 | 0 | 0 | 108.5 | Y582 D583 F604 I613 | C580-Y582 PolarHBondContact O-N 3.23Å; C580-D583 PolarHBondContact N-O 2.97Å; C580-D583 PolarHBondContact O-N 3.43Å; C580-F604 HydrophobicContact CB-CB 4.2Å; C580-F604 HydrophobicContact CB-CD1 3.48Å; C580-F604 VanDerWaalsContact CB-CD1 3.48Å; C580-F604 HydrophobicContact CB-CD2 4.43Å; C580-F604 HydrophobicContact CB-CE1 3.88Å; C580-F604 HydrophobicContact CB-CG 3.78Å; C580-I613 HydrophobicContact CB-CG1 4.25Å |
| 581 | E | 91.3 | Very high | 94.4 | Very high | 46 Ų | 46 | 47.6 Ų | 47.6 | 22% | 0.215 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.2 | -102.9 | -174.9 | -56.2 | -180 | 178.7 | 0 | 0 | 113 | R607 K608 K611 | E581-R607 PolarHBondContact OE1-N 2.79Å; E581-R607 PolarHBondContact OE2-N 3.36Å; E581-K608 PolarHBondContact OE1-N 2.91Å; E581-K611 HydrophobicContact CG-CB 4.4Å |
| 582 | Y | 86.3 | Confident | 94.4 | Very high | 150 Ų | 150 | 49.7 Ų | 49.7 | 59% | 0.588 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.1 | -11.4 | -179.7 | -55.1 | -74.2 | 0 | 0 | 0 | 112.4 | I546 C580 K608 | I546-Y582 HydrophobicContact CG2-CE2 4.15Å; C580-Y582 PolarHBondContact O-N 3.23Å; Y582-K608 PolarHBondContact OH-NZ 2.89Å; Y582-K608 VanDerWaalsContact OH-NZ 3.12Å |
| 583 | D | 90.7 | Very high | 94.4 | Very high | 73 Ų | 73 | 52 Ų | 52 | 39% | 0.39 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 134.1 | -178.7 | -62.2 | -39.9 | 0 | 0 | 0 | 109.7 | K579 C580 F604 | K579-D583 WeakPolarHBondContact CA-O 3.39Å; C580-D583 PolarHBondContact N-O 2.97Å; C580-D583 PolarHBondContact O-N 3.43Å; D583-F604 HydrophobicContact CB-CD1 4.32Å; D583-F604 HydrophobicContact CB-CE1 4.44Å |
| 584 | T | 95.9 | Very high | 94.3 | Very high | 90 Ų | 90 | 52.9 Ų | 52.9 | 55% | 0.552 | 27% | 0.271 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 122.9 | 172.1 | -60 | 0 | 0 | 0 | 0 | 108.4 | I577 I578 K579 | I577-T584 HydrophobicContact CG2-CG2 3.63Å; I578-T584 WeakPolarHBondContact O-CA 3.45Å; K579-T584 HydrophobicContact CG-CG2 4.04Å |
| 585 | V | 96.4 | Very high | 94.2 | Very high | 27 Ų | 27 | 56 Ų | 56 | 16% | 0.164 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 164.4 | 177.3 | -60.3 | 0 | 0 | 0 | 0 | 109 | N466 I578 F602 F604 | N466-V585 HydrophobicContact CB-CG1 3.83Å; I578-V585 HydrophobicContact CB-CG2 3.85Å; I578-V585 HydrophobicContact CD1-CG2 4.05Å; I578-V585 HydrophobicContact CG2-CG2 4.44Å; I578-V585 PolarHBondContact N-O 3.19Å; I578-V585 PolarHBondContact O-N 2.9Å; V585-F602 HydrophobicContact CB-CD1 4.01Å; V585-F602 HydrophobicContact CB-CE1 4.1Å; V585-F602 HydrophobicContact CG2-CB 4.47Å; V585-F602 HydrophobicContact CG2-CD1 3.44Å; V585-F602 VanDerWaalsContact CG2-CD1 3.44Å; V585-F602 HydrophobicContact CG2-CE1 3.83Å; V585-F602 HydrophobicContact CG2-CG 4.02Å; V585-F604 HydrophobicContact CG2-CE1 3.87Å; V585-F604 HydrophobicContact CG2-CZ 3.54Å |
| 586 | Q | 96.1 | Very high | 94.2 | Very high | 120 Ų | 120 | 55.1 Ų | 55.1 | 56% | 0.561 | 28% | 0.284 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 152.8 | 179.4 | 68.5 | -176.9 | 16.2 | 0 | 0 | 111.3 | Y575 C576 | Y575-Q586 HydrophobicContact CD2-CB 4.39Å; C576-Q586 CarbonylContact O-C 3.31Å; C576-Q586 WeakPolarHBondContact O-CA 2.87Å; C576-Q586 WeakPolarHBondContact O-CB 3.4Å |
| 587 | T | 96.6 | Very high | 94.1 | Very high | 5 Ų | 5 | 60.2 Ų | 60.2 | 3% | 0.031 | 32% | 0.315 | C | S | . | . | P | Polyproline II helix | trans | -79.8 | 171.5 | 169.8 | 65.1 | 0 | 0 | 0 | 0 | 111.2 | V557 C576 I578 W598 E600 F602 | V557-T587 HydrophobicContact CB-CG2 4.42Å; V557-T587 HydrophobicContact CG1-CG2 4.3Å; C576-T587 HydrophobicContact CB-CG2 3.78Å; C576-T587 PolarHBondContact N-OG1 3.27Å; C576-T587 PolarHBondContact O-N 3.16Å; I578-T587 HydrophobicContact CD1-CG2 4.39Å; T587-W598 HydrophobicContact CG2-CB 4.48Å; T587-W598 HydrophobicContact CG2-CG 4.31Å; T587-W598 PolarHBondContact OG1-NE1 2.95Å; T587-E600 VanDerWaalsContact CA-OE2 3.31Å; T587-E600 WeakPolarHBondContact CA-OE2 3.27Å; T587-E600 WeakPolarHBondContact CB-OE1 3.3Å; T587-E600 HydrophobicContact CG2-CB 4.49Å; T587-F602 HydrophobicContact CG2-CE2 3.8Å; T587-F602 HydrophobicContact CG2-CZ 3.84Å |
| 588 | T | 94.5 | Very high | 94 | Very high | 49 Ų | 49 | 59.7 Ų | 59.7 | 30% | 0.301 | 31% | 0.311 | S | S | . | . | P | Polyproline II helix | trans | -61.3 | 157 | 163.7 | 59.2 | 0 | 0 | 0 | 0 | 111.8 | V499 W598 E600 | V499-T588 HydrophobicContact CB-CG2 3.95Å; V499-T588 HydrophobicContact CG1-CG2 3.64Å; T588-W598 PolarHBondContact O-NE1 3.03Å; T588-E600 VanDerWaalsContact CB-OE1 3.29Å; T588-E600 WeakPolarHBondContact CB-OE1 3.41Å; T588-E600 WeakPolarHBondContact CG2-OE1 3.43Å; T588-E600 PolarHBondContact N-OE1 3.21Å; T588-E600 PolarHBondContact N-OE2 3.25Å; T588-E600 PolarHBondContact OG1-OE1 2.6Å |
| 589 | I | 94.3 | Very high | 93.9 | Very high | 78 Ų | 78 | 63.3 Ų | 63.3 | 40% | 0.4 | 33% | 0.331 | S | S | . | . | P | Polyproline II helix | trans | -87.9 | 119.6 | 176.6 | -62.1 | 152.3 | 0 | 0 | 0 | 108.1 | Y575 K620 | Y575-I589 HydrophobicContact CD1-CG1 4.05Å; Y575-I589 HydrophobicContact CG-CG1 4.09Å; I589-K620 HydrophobicContact CD1-CB 4.28Å; I589-K620 HydrophobicContact CD1-CD 3.83Å; I589-K620 HydrophobicContact CD1-CG 3.83Å; I589-K620 HydrophobicContact CG1-CB 4.31Å; I589-K620 HydrophobicContact CG1-CD 4.5Å; I589-K620 HydrophobicContact CG1-CG 4.4Å; I589-K620 HydrophobicContact CG2-CB 3.84Å; I589-K620 HydrophobicContact CG2-CG 4.39Å |
| 590 | S | 93.9 | Very high | 93.9 | Very high | 22 Ų | 22 | 60.6 Ų | 60.6 | 15% | 0.154 | 32% | 0.319 | C | S | . | . | P | Polyproline II helix | trans | -84.2 | 116.5 | 170.8 | -165.2 | 0 | 0 | 0 | 0 | 108.4 | S573 P574 P596 | S573-S590 CarbonylContact C-O 3.56Å; S573-S590 WeakPolarHBondContact CA-O 3.39Å; P574-S590 WeakPolarHBondContact CD-O 3.43Å; P574-S590 PolarHBondContact O-N 3.45Å; S590-P596 VanDerWaalsContact CB-CB 3.49Å |
| 591 | Q | 91.4 | Very high | 94 | Very high | 161 Ų | 161 | 62.8 Ų | 62.8 | 75% | 0.752 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | 131 | -174.7 | -65.7 | -175 | -1.1 | 0 | 0 | 111.9 | N593 | Q591-N593 VanDerWaalsContact C-N 3.26Å; Q591-N593 PolarHBondContact O-N 3.25Å; Q591-N593 VanDerWaalsContact O-N 3.14Å |
| 592 | S | 90.9 | Very high | 94.3 | Very high | 79 Ų | 79 | 60.7 Ų | 60.7 | 55% | 0.552 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.1 | 45 | 168.9 | -62.6 | 0 | 0 | 0 | 0 | 113.9 | P571 P572 S573 | P571-S592 VanDerWaalsContact CG-O 3.31Å; P571-S592 WeakPolarHBondContact CG-O 3.31Å; P572-S592 CarbonylContact O-C 3.58Å; P572-S592 VanDerWaalsContact O-CA 3.3Å; P572-S592 WeakPolarHBondContact O-CA 3.3Å; P572-S592 PolarHBondContact O-N 2.93Å; S573-S592 PolarHBondContact OG-N 2.88Å |
| 593 | N | 91.8 | Very high | 94.8 | Very high | 51 Ų | 51 | 53.6 Ų | 53.6 | 27% | 0.273 | 29% | 0.29 | S | S | . | . | trans | -136.8 | 116 | -173.4 | -173.8 | 0.2 | 0 | 0 | 0 | 111.2 | P572 P574 Q591 N595 | P572-N593 PolarHBondContact O-N 3.03Å; P574-N593 WeakPolarHBondContact CD-O 3.48Å; P574-N593 VanDerWaalsContact CG-O 3.24Å; P574-N593 WeakPolarHBondContact CG-O 3.28Å; Q591-N593 VanDerWaalsContact C-N 3.26Å; Q591-N593 PolarHBondContact O-N 3.25Å; Q591-N593 VanDerWaalsContact O-N 3.14Å; N593-N595 VanDerWaalsContact C-N 3.3Å; N593-N595 PolarHBondContact ND2-O 3.49Å; N593-N595 WeakPolarHBondContact OD1-CA 3.5Å; N593-N595 PolarHBondContact OD1-N 3.06Å; N593-N595 PolarHBondContact OD1-O 2.86Å | ||
| 594 | N | 92.2 | Very high | 95 | Very high | 40 Ų | 40 | 50.1 Ų | 50.1 | 21% | 0.214 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -84.7 | -2.8 | 176 | 67.1 | -48.3 | 0 | 0 | 0 | 114.2 | N562 L563 P572 P596 | N562-N594 PolarHBondContact N-O 3.01Å; L563-N594 PolarHBondContact N-O 3.27Å; P572-N594 HydrophobicContact CG-CB 4.38Å; N594-P596 VanDerWaalsContact C-CD 3.43Å |
| 595 | N | 95.9 | Very high | 94.8 | Very high | 66 Ų | 66 | 46.6 Ų | 46.6 | 35% | 0.353 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -128.1 | 61.8 | 173 | -57.7 | -74 | 0 | 0 | 0 | 109.8 | A560 S561 N562 N593 | A560-N595 CarbonylContact O-C 3.5Å; A560-N595 VanDerWaalsContact O-CA 3.24Å; A560-N595 WeakPolarHBondContact O-CA 3.35Å; S561-N595 WeakPolarHBondContact CA-OD1 3.36Å; N562-N595 PolarHBondContact N-OD1 2.85Å; N593-N595 VanDerWaalsContact C-N 3.3Å; N593-N595 PolarHBondContact ND2-O 3.49Å; N593-N595 WeakPolarHBondContact OD1-CA 3.5Å; N593-N595 PolarHBondContact OD1-N 3.06Å; N593-N595 PolarHBondContact OD1-O 2.86Å |
| 596 | P | 96.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 24% | 0.24 | C | C | . | . | trans | -65.9 | 143 | -175.6 | 31.9 | -40 | 0 | 0 | 0 | 111.7 | S559 A560 L563 P574 S590 N594 W598 | S559-P596 CarbonylContact C-O 3.49Å; S559-P596 WeakPolarHBondContact CA-O 3.48Å; S559-P596 WeakPolarHBondContact CB-O 3.43Å; A560-P596 HydrophobicContact CB-CG 3.86Å; A560-P596 PolarHBondContact N-O 3.07Å; A560-P596 WeakPolarHBondContact O-CD 2.92Å; L563-P596 HydrophobicContact CD1-CG 3.85Å; P574-P596 HydrophobicContact CB-CG 4.27Å; P574-P596 HydrophobicContact CG-CB 3.66Å; P574-P596 HydrophobicContact CG-CG 3.49Å; P574-P596 VanDerWaalsContact CG-CG 3.49Å; S590-P596 VanDerWaalsContact CB-CB 3.49Å; N594-P596 VanDerWaalsContact C-CD 3.43Å; P596-W598 HydrophobicContact CB-CD2 4.3Å; P596-W598 HydrophobicContact CB-CE3 4.5Å; P596-W598 HydrophobicContact CB-CH2 3.95Å; P596-W598 HydrophobicContact CB-CZ2 3.68Å; P596-W598 HydrophobicContact CB-CZ3 4.34Å; P596-W598 HydrophobicContact CG-CE3 4.36Å; P596-W598 HydrophobicContact CG-CH2 3.25Å; P596-W598 HydrophobicContact CG-CZ2 3.45Å; P596-W598 VanDerWaalsContact CG-CZ2 3.45Å; P596-W598 HydrophobicContact CG-CZ3 3.74Å | ||
| 597 | V | 96.1 | Very high | 94.4 | Very high | 107 Ų | 107 | 42.2 Ų | 42.2 | 65% | 0.648 | 22% | 0.223 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 111.2 | 169.1 | -178.6 | 0 | 0 | 0 | 0 | 107 | N599 | V597-N599 HydrophobicContact CG1-CB 4.45Å |
| 598 | W | 95.1 | Very high | 94 | Very high | 17 Ų | 17 | 45.8 Ų | 45.8 | 6% | 0.064 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | -47.4 | 178.7 | -63.4 | -76.9 | 0 | 0 | 0 | 110.8 | V557 H558 A560 P574 C576 T587 T588 P596 E600 L666 | V557-W598 HydrophobicContact CG1-CD2 4.49Å; V557-W598 HydrophobicContact CG1-CE3 3.86Å; V557-W598 HydrophobicContact CG1-CZ3 4.42Å; H558-W598 PolarHBondContact O-N 3.16Å; A560-W598 HydrophobicContact CB-CH2 3.76Å; A560-W598 HydrophobicContact CB-CZ3 3.67Å; P574-W598 HydrophobicContact CB-CZ2 4.01Å; P574-W598 HydrophobicContact CG-CZ2 4.2Å; C576-W598 VanDerWaalsContact SG-CH2 3.57Å; T587-W598 HydrophobicContact CG2-CB 4.48Å; T587-W598 HydrophobicContact CG2-CG 4.31Å; T587-W598 PolarHBondContact OG1-NE1 2.95Å; T588-W598 PolarHBondContact O-NE1 3.03Å; P596-W598 HydrophobicContact CB-CD2 4.3Å; P596-W598 HydrophobicContact CB-CE3 4.5Å; P596-W598 HydrophobicContact CB-CH2 3.95Å; P596-W598 HydrophobicContact CB-CZ2 3.68Å; P596-W598 HydrophobicContact CB-CZ3 4.34Å; P596-W598 HydrophobicContact CG-CE3 4.36Å; P596-W598 HydrophobicContact CG-CH2 3.25Å; P596-W598 HydrophobicContact CG-CZ2 3.45Å; P596-W598 VanDerWaalsContact CG-CZ2 3.45Å; P596-W598 HydrophobicContact CG-CZ3 3.74Å; W598-E600 VanDerWaalsContact C-N 3.28Å; W598-E600 HydrophobicContact CB-CG 4.23Å; W598-E600 PolarHBondContact O-N 3.22Å; W598-L666 HydrophobicContact CZ3-CD1 3.97Å |
| 599 | N | 95 | Very high | 93.8 | Very high | 76 Ų | 76 | 46.4 Ų | 46.4 | 41% | 0.406 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 52.6 | 46.2 | -176.8 | -165.6 | 38.8 | 0 | 0 | 0 | 112.3 | H556 V557 H558 V597 | H556-N599 PolarHBondContact CE1-OD1 2.95Å; H556-N599 VanDerWaalsContact CE1-OD1 3.28Å; H556-N599 PolarHBondContact NE2-OD1 3.39Å; V557-N599 WeakPolarHBondContact O-CA 3.27Å; V557-N599 PolarHBondContact O-N 2.64Å; H558-N599 PolarHBondContact O-N 2.98Å; V597-N599 HydrophobicContact CG1-CB 4.45Å |
| 600 | E | 96.7 | Very high | 93.6 | Very high | 13 Ų | 13 | 49.3 Ų | 49.3 | 6% | 0.061 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 147.4 | -174.7 | -72 | -178.9 | -131.4 | 0 | 0 | 111.8 | N465 V557 T587 T588 W598 F602 | N465-E600 PolarHBondContact ND2-OE2 3.35Å; V557-E600 PolarHBondContact N-O 2.87Å; V557-E600 PolarHBondContact O-N 3.26Å; V557-E600 VanDerWaalsContact O-N 3.08Å; T587-E600 VanDerWaalsContact CA-OE2 3.31Å; T587-E600 WeakPolarHBondContact CA-OE2 3.27Å; T587-E600 WeakPolarHBondContact CB-OE1 3.3Å; T587-E600 HydrophobicContact CG2-CB 4.49Å; T588-E600 VanDerWaalsContact CB-OE1 3.29Å; T588-E600 WeakPolarHBondContact CB-OE1 3.41Å; T588-E600 WeakPolarHBondContact CG2-OE1 3.43Å; T588-E600 PolarHBondContact N-OE1 3.21Å; T588-E600 PolarHBondContact N-OE2 3.25Å; T588-E600 PolarHBondContact OG1-OE1 2.6Å; W598-E600 VanDerWaalsContact C-N 3.28Å; W598-E600 HydrophobicContact CB-CG 4.23Å; W598-E600 PolarHBondContact O-N 3.22Å; E600-F602 HydrophobicContact CB-CE2 3.8Å; E600-F602 HydrophobicContact CB-CZ 4.1Å |
| 601 | Y | 97 | Very high | 93.4 | Very high | 48 Ų | 48 | 53.5 Ų | 53.5 | 19% | 0.188 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 141.6 | -177.3 | -53.5 | -89.4 | 0 | 0 | 0 | 111.3 | E464 N465 R554 L555 H556 | E464-Y601 CarbonylContact C-O 3.54Å; E464-Y601 VanDerWaalsContact CA-O 3.26Å; E464-Y601 WeakPolarHBondContact CA-O 3.39Å; N465-Y601 PolarHBondContact N-O 3.45Å; R554-Y601 VanDerWaalsContact NH1-CE1 3.31Å; L555-Y601 CarbonylContact O-C 3.45Å; L555-Y601 VanDerWaalsContact O-CA 3.32Å; L555-Y601 WeakPolarHBondContact O-CA 3.38Å; H556-Y601 HydrophobicContact CB-CD1 3.69Å; H556-Y601 HydrophobicContact CB-CE1 3.73Å; H556-Y601 AromaticContact CD2-CD1 3.73Å; H556-Y601 AromaticContact CD2-CE1 3.42Å; H556-Y601 VanDerWaalsContact CD2-CE1 3.42Å; H556-Y601 WeakPolarHBondContact CD2-CE1 3.45Å; H556-Y601 AromaticContact CD2-CZ 3.77Å; H556-Y601 AromaticContact CE1-CE1 3.52Å; H556-Y601 AromaticContact CE1-CZ 3.55Å; H556-Y601 PolarHBondContact CE1-OH 2.95Å; H556-Y601 AromaticContact CG-CD1 3.63Å; H556-Y601 AromaticContact CG-CE1 3.24Å; H556-Y601 AromaticContact CG-CZ 3.98Å; H556-Y601 AromaticContact ND1-CE1 3.3Å; H556-Y601 VanDerWaalsContact ND1-CE1 3.3Å; H556-Y601 WeakPolarHBondContact ND1-CE1 3.41Å; H556-Y601 AromaticContact ND1-CZ 3.84Å; H556-Y601 AromaticContact NE2-CE1 3.59Å; H556-Y601 AromaticContact NE2-CZ 3.5Å; H556-Y601 PolarHBondContact NE2-OH 3.3Å |
| 602 | F | 97.4 | Very high | 93.5 | Very high | 2 Ų | 2 | 47.8 Ų | 47.8 | 1% | 0.009 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 149.2 | 178.9 | -57.9 | -85.7 | 0 | 0 | 0 | 110.2 | N465 N466 R554 L555 V557 I578 V585 T587 E600 F604 | N465-F602 HydrophobicContact CB-CD1 4.16Å; N465-F602 HydrophobicContact CB-CE1 3.84Å; N466-F602 VanDerWaalsContact OD1-CA 3.25Å; N466-F602 WeakPolarHBondContact OD1-CA 3.19Å; R554-F602 CarbonylContact C-O 3.58Å; R554-F602 VanDerWaalsContact CA-O 3.3Å; R554-F602 WeakPolarHBondContact CA-O 3.47Å; L555-F602 PolarHBondContact N-O 3.02Å; L555-F602 PolarHBondContact O-N 3.45Å; V557-F602 HydrophobicContact CG2-CD2 4.24Å; V557-F602 HydrophobicContact CG2-CE2 4.18Å; I578-F602 HydrophobicContact CD1-CD1 4.35Å; I578-F602 HydrophobicContact CD1-CD2 3.41Å; I578-F602 VanDerWaalsContact CD1-CD2 3.41Å; I578-F602 HydrophobicContact CD1-CE1 4.3Å; I578-F602 HydrophobicContact CD1-CE2 3.37Å; I578-F602 HydrophobicContact CD1-CG 3.92Å; I578-F602 HydrophobicContact CD1-CZ 3.84Å; V585-F602 HydrophobicContact CB-CD1 4.01Å; V585-F602 HydrophobicContact CB-CE1 4.1Å; V585-F602 HydrophobicContact CG2-CB 4.47Å; V585-F602 HydrophobicContact CG2-CD1 3.44Å; V585-F602 VanDerWaalsContact CG2-CD1 3.44Å; V585-F602 HydrophobicContact CG2-CE1 3.83Å; V585-F602 HydrophobicContact CG2-CG 4.02Å; T587-F602 HydrophobicContact CG2-CE2 3.8Å; T587-F602 HydrophobicContact CG2-CZ 3.84Å; E600-F602 HydrophobicContact CB-CE2 3.8Å; E600-F602 HydrophobicContact CB-CZ 4.1Å; F602-F604 HydrophobicContact CB-CE2 3.65Å; F602-F604 HydrophobicContact CB-CZ 3.85Å |
| 603 | L | 96.3 | Very high | 93.7 | Very high | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.01 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 128 | 179.7 | -177.6 | 64.3 | 0 | 0 | 0 | 110.1 | E464 N466 R467 R554 Y605 I681 | E464-L603 HydrophobicContact CB-CB 4.16Å; E464-L603 HydrophobicContact CG-CB 4.15Å; N466-L603 PolarHBondContact ND2-O 3.11Å; N466-L603 PolarHBondContact OD1-N 3.47Å; R467-L603 HydrophobicContact CB-CD2 4.41Å; R467-L603 HydrophobicContact CG-CD2 4.12Å; R554-L603 HydrophobicContact CB-CD1 4.31Å; L603-Y605 HydrophobicContact CD2-CE2 3.72Å; L603-Y605 HydrophobicContact CG-CE2 3.91Å; L603-I681 HydrophobicContact CD1-CD1 3.78Å; L603-I681 HydrophobicContact CD1-CG1 3.99Å |
| 604 | F | 95 | Very high | 93.9 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 137.4 | 179.7 | -57.8 | -77.7 | 0 | 0 | 0 | 111.1 | A552 V553 L555 I578 C580 D583 V585 F602 | A552-F604 CarbonylContact C-O 3.57Å; A552-F604 WeakPolarHBondContact CA-O 3.43Å; V553-F604 PolarHBondContact N-O 3.03Å; V553-F604 PolarHBondContact O-N 3.11Å; L555-F604 HydrophobicContact CB-CE2 4.26Å; L555-F604 HydrophobicContact CD2-CE2 4.17Å; I578-F604 HydrophobicContact CB-CZ 4.23Å; I578-F604 HydrophobicContact CG2-CE1 4.43Å; I578-F604 HydrophobicContact CG2-CE2 3.82Å; I578-F604 HydrophobicContact CG2-CZ 3.46Å; I578-F604 VanDerWaalsContact CG2-CZ 3.46Å; C580-F604 HydrophobicContact CB-CB 4.2Å; C580-F604 HydrophobicContact CB-CD1 3.48Å; C580-F604 VanDerWaalsContact CB-CD1 3.48Å; C580-F604 HydrophobicContact CB-CD2 4.43Å; C580-F604 HydrophobicContact CB-CE1 3.88Å; C580-F604 HydrophobicContact CB-CG 3.78Å; D583-F604 HydrophobicContact CB-CD1 4.32Å; D583-F604 HydrophobicContact CB-CE1 4.44Å; V585-F604 HydrophobicContact CG2-CE1 3.87Å; V585-F604 HydrophobicContact CG2-CZ 3.54Å; F602-F604 HydrophobicContact CB-CE2 3.65Å; F602-F604 HydrophobicContact CB-CZ 3.85Å |
| 605 | Y | 92.5 | Very high | 94.2 | Very high | 15 Ų | 15 | 41.8 Ų | 41.8 | 6% | 0.059 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 95.2 | 176.3 | -72.3 | -86.7 | 0 | 0 | 0 | 109.7 | P468 V469 P537 P549 E551 A552 L603 F678 | P468-Y605 HydrophobicContact CG-CD2 4.41Å; P468-Y605 HydrophobicContact CG-CE2 4.05Å; V469-Y605 HydrophobicContact CG2-CE2 4.27Å; V469-Y605 WeakPolarHBondContact CG2-OH 3.38Å; P537-Y605 HydrophobicContact CG-CD1 3.61Å; P537-Y605 HydrophobicContact CG-CD2 3.45Å; P537-Y605 VanDerWaalsContact CG-CD2 3.45Å; P537-Y605 HydrophobicContact CG-CE1 3.66Å; P537-Y605 HydrophobicContact CG-CE2 3.5Å; P537-Y605 HydrophobicContact CG-CG 3.5Å; P549-Y605 HydrophobicContact CB-CD1 4.48Å; E551-Y605 CarbonylContact O-C 3.53Å; A552-Y605 HydrophobicContact CB-CD1 3.78Å; A552-Y605 HydrophobicContact CB-CE1 3.71Å; L603-Y605 HydrophobicContact CD2-CE2 3.72Å; L603-Y605 HydrophobicContact CG-CE2 3.91Å; Y605-F678 HydrophobicContact CD1-CD2 4.35Å; Y605-F678 HydrophobicContact CD1-CE2 4.07Å; Y605-F678 HydrophobicContact CD1-CZ 4.21Å; Y605-F678 HydrophobicContact CE1-CD2 4.18Å; Y605-F678 HydrophobicContact CE1-CE2 4.37Å; Y605-F678 HydrophobicContact CE1-CG 4.36Å |
| 606 | R | 92.7 | Very high | 94.2 | Very high | 1 Ų | 1 | 40.2 Ų | 40.2 | 0% | 0.004 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 135.7 | -172.2 | -63 | 176.5 | 72.6 | -148.7 | 6.1 | 111.4 | P549 K550 E551 V553 L609 K611 E636 | P549-R606 CarbonylContact C-O 3.6Å; P549-R606 WeakPolarHBondContact CA-O 3.27Å; K550-R606 PolarHBondContact N-O 3.18Å; E551-R606 HydrophobicContact CB-CB 4.49Å; E551-R606 PolarHBondContact N-O 3.33Å; E551-R606 PolarHBondContact O-N 3.34Å; E551-R606 IonicContact OE2-CZ 3.97Å; E551-R606 IonicContact OE2-NH1 2.72Å; E551-R606 PolarHBondContact OE2-NH1 3.44Å; V553-R606 VanDerWaalsContact CG2-CD 3.47Å; V553-R606 HydrophobicContact CG2-CG 4.25Å; R606-L609 HydrophobicContact CB-CD2 4.18Å; R606-L609 PolarHBondContact NH2-O 2.87Å; R606-K611 PolarHBondContact NH2-O 2.78Å; R606-E636 IonicContact CZ-OE2 2.76Å; R606-E636 VanDerWaalsContact CZ-OE2 3.28Å; R606-E636 IonicContact NH1-OE1 3.81Å; R606-E636 IonicContact NH1-OE2 2.78Å; R606-E636 PolarHBondContact NH1-OE2 2.87Å; R606-E636 IonicContact NH2-OE2 2.85Å; R606-E636 PolarHBondContact NH2-OE2 2.95Å |
| 607 | R | 90.3 | Very high | 94.2 | Very high | 55 Ų | 55 | 40.2 Ų | 40.2 | 21% | 0.208 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -107.9 | -31.3 | 176.9 | -60.4 | 176.8 | 177.8 | 83.1 | -0.1 | 111.7 | G547 P549 E581 | G547-R607 VanDerWaalsContact O-CD 3.28Å; G547-R607 WeakPolarHBondContact O-CD 3.23Å; G547-R607 PolarHBondContact O-NE 2.53Å; P549-R607 HydrophobicContact CB-CG 4.47Å; P549-R607 HydrophobicContact CG-CG 4.4Å; E581-R607 PolarHBondContact OE1-N 2.79Å; E581-R607 PolarHBondContact OE2-N 3.36Å |
| 608 | K | 89.7 | Confident | 94.2 | Very high | 79 Ų | 79 | 36.1 Ų | 36.1 | 34% | 0.343 | 17% | 0.173 | S | C | . | . | trans | -119.4 | 87.5 | -176.1 | -64.3 | 176.2 | -177.1 | 169.5 | 0 | 109.1 | E581 Y582 N610 K611 | E581-K608 PolarHBondContact OE1-N 2.91Å; Y582-K608 PolarHBondContact OH-NZ 2.89Å; Y582-K608 VanDerWaalsContact OH-NZ 3.12Å; K608-N610 PolarHBondContact O-N 2.64Å; K608-K611 HydrophobicContact CB-CB 4.31Å; K608-K611 HydrophobicContact CB-CG 3.8Å; K608-K611 HydrophobicContact CD-CG 4.33Å; K608-K611 WeakPolarHBondContact O-CB 3.29Å; K608-K611 PolarHBondContact O-N 2.86Å | ||
| 609 | L | 89.5 | Confident | 94.1 | Very high | 63 Ų | 63 | 35.8 Ų | 35.8 | 33% | 0.33 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -20.5 | -177.4 | -52.5 | -178.4 | 0 | 0 | 0 | 113.8 | K550 E551 R606 K611 E636 | K550-L609 HydrophobicContact CB-CD2 4.44Å; E551-L609 HydrophobicContact CB-CD2 3.63Å; R606-L609 HydrophobicContact CB-CD2 4.18Å; R606-L609 PolarHBondContact NH2-O 2.87Å; L609-K611 VanDerWaalsContact C-N 3.26Å; L609-K611 PolarHBondContact O-N 3.46Å; L609-E636 VanDerWaalsContact O-OE2 3.06Å |
| 610 | N | 89.4 | Confident | 94.1 | Very high | 139 Ų | 139 | 36.1 Ų | 36.1 | 74% | 0.743 | 17% | 0.17 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -6.2 | 173.9 | 68.8 | -24.7 | 0 | 0 | 0 | 114 | K608 | K608-N610 PolarHBondContact O-N 2.64Š|
| 611 | K | 91.2 | Very high | 93.7 | Very high | 110 Ų | 110 | 38.7 Ų | 38.7 | 48% | 0.478 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -90.2 | 128.8 | 174.6 | -68.4 | -65.3 | -171.9 | 177.4 | 0 | 109.3 | E581 R606 K608 L609 | E581-K611 HydrophobicContact CG-CB 4.4Å; R606-K611 PolarHBondContact NH2-O 2.78Å; K608-K611 HydrophobicContact CB-CB 4.31Å; K608-K611 HydrophobicContact CB-CG 3.8Å; K608-K611 HydrophobicContact CD-CG 4.33Å; K608-K611 WeakPolarHBondContact O-CB 3.29Å; K608-K611 PolarHBondContact O-N 2.86Å; L609-K611 VanDerWaalsContact C-N 3.26Å; L609-K611 PolarHBondContact O-N 3.46Å |
| 612 | P | 93.2 | Very high | 93 | Very high | 40 Ų | 40 | 41.6 Ų | 41.6 | 26% | 0.26 | 22% | 0.216 | S | C | . | . | P | Polyproline II helix | trans | -71.4 | 157.7 | -179.6 | 31.2 | -35.4 | 0 | 0 | 0 | 111.2 | E614 S633 F634 | P612-E614 HydrophobicContact CG-CG 4.2Å; P612-S633 VanDerWaalsContact CB-OG 3.3Å; P612-S633 WeakPolarHBondContact CB-OG 3.49Å; P612-S633 WeakPolarHBondContact CG-OG 3.47Å; P612-F634 VanDerWaalsContact CA-O 3.29Å; P612-F634 WeakPolarHBondContact CA-O 3.35Å; P612-F634 WeakPolarHBondContact CB-O 3.17Å |
| 613 | I | 95.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 128.4 | 158.3 | -62.4 | 176.7 | 0 | 0 | 0 | 106.3 | V553 I578 C580 F634 I639 F670 | V553-I613 HydrophobicContact CB-CD1 4.39Å; V553-I613 HydrophobicContact CG1-CD1 3.95Å; I578-I613 HydrophobicContact CG2-CG2 3.99Å; C580-I613 HydrophobicContact CB-CG1 4.25Å; I613-F634 WeakPolarHBondContact O-CD2 3.48Å; I613-F634 PolarHBondContact O-N 2.91Å; I613-I639 HydrophobicContact CB-CD1 4.3Å; I613-I639 HydrophobicContact CD1-CD1 3.94Å; I613-I639 HydrophobicContact CD1-CG1 4.41Å; I613-I639 HydrophobicContact CG1-CD1 3.9Å; I613-F670 HydrophobicContact CD1-CE1 3.87Å; I613-F670 HydrophobicContact CD1-CZ 4.47Å |
| 614 | E | 95.5 | Very high | 91.8 | Very high | 44 Ų | 44 | 52.4 Ų | 52.4 | 21% | 0.206 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 130.9 | -179.9 | -64.9 | -177.3 | -175.5 | 0 | 0 | 110.5 | I578 K579 P612 H632 | I578-E614 CarbonylContact C-O 3.57Å; I578-E614 WeakPolarHBondContact CA-O 3.4Å; K579-E614 HydrophobicContact CB-CB 4.39Å; K579-E614 PolarHBondContact N-O 2.97Å; K579-E614 PolarHBondContact O-N 2.95Å; P612-E614 HydrophobicContact CG-CG 4.2Å; E614-H632 WeakPolarHBondContact CA-O 3.35Å |
| 615 | I | 97.2 | Very high | 91.5 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 125.4 | 173.5 | -57.1 | -177.5 | 0 | 0 | 0 | 108.3 | L555 V557 C576 I577 I578 R631 H632 F634 L666 I668 | L555-I615 HydrophobicContact CD1-CD1 4.36Å; L555-I615 HydrophobicContact CD2-CD1 3.82Å; V557-I615 HydrophobicContact CG2-CD1 4.5Å; C576-I615 HydrophobicContact CB-CG2 3.89Å; I577-I615 CarbonylContact O-C 3.59Å; I577-I615 WeakPolarHBondContact O-CA 3.3Å; I578-I615 HydrophobicContact CB-CG1 4.5Å; I578-I615 HydrophobicContact CG1-CD1 4.36Å; I578-I615 HydrophobicContact CG1-CG1 4.05Å; I578-I615 HydrophobicContact CG1-CG2 4.37Å; I578-I615 HydrophobicContact CG2-CG1 4.19Å; I615-R631 CarbonylContact O-C 3.47Å; I615-R631 WeakPolarHBondContact O-CA 3.43Å; I615-R631 VanDerWaalsContact O-CB 3.28Å; I615-R631 WeakPolarHBondContact O-CB 3.25Å; I615-H632 PolarHBondContact N-O 3.47Å; I615-H632 PolarHBondContact O-N 3.18Å; I615-F634 HydrophobicContact CB-CE2 4.14Å; I615-F634 HydrophobicContact CD1-CD2 4.41Å; I615-F634 HydrophobicContact CD1-CE2 3.53Å; I615-F634 HydrophobicContact CD1-CZ 4.14Å; I615-F634 HydrophobicContact CG1-CD2 4.33Å; I615-F634 HydrophobicContact CG1-CE2 3.68Å; I615-L666 HydrophobicContact CB-CD2 4.18Å; I615-L666 HydrophobicContact CD1-CD2 4.06Å; I615-L666 HydrophobicContact CG2-CD2 3.85Å; I615-I668 HydrophobicContact CD1-CG2 4.18Å |
| 616 | Q | 96.2 | Very high | 91.5 | Very high | 33 Ų | 33 | 62.4 Ų | 62.4 | 15% | 0.154 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 128.1 | 175.5 | -53.8 | -176.7 | -1.1 | 0 | 0 | 108.5 | C576 I577 F628 R631 | C576-Q616 CarbonylContact C-O 3.55Å; C576-Q616 VanDerWaalsContact CA-O 3.32Å; C576-Q616 WeakPolarHBondContact CA-O 3.29Å; I577-Q616 HydrophobicContact CB-CB 4.39Å; I577-Q616 PolarHBondContact N-O 2.97Å; I577-Q616 PolarHBondContact O-N 3.33Å; Q616-F628 HydrophobicContact CB-CE2 4.37Å; Q616-R631 HydrophobicContact CB-CB 4.4Å; Q616-R631 HydrophobicContact CG-CB 4.03Å |
| 617 | I | 96.7 | Very high | 91.5 | Very high | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 126.1 | 174.4 | -48.1 | -172.5 | 0 | 0 | 0 | 108.3 | A560 L563 P574 Y575 L629 G630 L649 L666 | A560-I617 HydrophobicContact CB-CD1 4.17Å; L563-I617 HydrophobicContact CD1-CG2 4.2Å; L563-I617 HydrophobicContact CD2-CD1 4.06Å; P574-I617 HydrophobicContact CB-CG2 4.01Å; Y575-I617 WeakPolarHBondContact O-CA 3.15Å; I617-L629 HydrophobicContact CB-CB 4.24Å; I617-L629 HydrophobicContact CG2-CB 4.16Å; I617-L629 HydrophobicContact CG2-CD1 4.01Å; I617-L629 WeakPolarHBondContact O-CB 3.22Å; I617-L629 PolarHBondContact O-N 3.48Å; I617-G630 PolarHBondContact N-O 3.27Å; I617-G630 PolarHBondContact O-N 2.81Å; I617-L649 HydrophobicContact CD1-CD1 3.65Å; I617-L649 HydrophobicContact CD1-CD2 3.79Å; I617-L649 HydrophobicContact CD1-CG 4.36Å; I617-L649 HydrophobicContact CG1-CD2 4.22Å; I617-L666 HydrophobicContact CD1-CB 4.4Å; I617-L666 HydrophobicContact CD1-CD1 4.03Å |
| 618 | M | 95.7 | Very high | 91.7 | Very high | 22 Ų | 22 | 63.2 Ų | 63.2 | 11% | 0.108 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 144.6 | -177.7 | -59.5 | -60.2 | -64.5 | 0 | 0 | 109.5 | P574 Y575 I577 D626 V627 F628 | P574-M618 CarbonylContact C-O 3.36Å; P574-M618 WeakPolarHBondContact CA-O 3.46Å; Y575-M618 HydrophobicContact CD1-CB 3.94Å; Y575-M618 WeakPolarHBondContact CD1-O 3.22Å; Y575-M618 HydrophobicContact CE1-CB 3.41Å; Y575-M618 VanDerWaalsContact CE1-CB 3.41Å; Y575-M618 HydrophobicContact CE1-CG 4.43Å; Y575-M618 HydrophobicContact CE2-CB 4.08Å; Y575-M618 HydrophobicContact CE2-CG 4.34Å; Y575-M618 HydrophobicContact CG-CB 4.48Å; Y575-M618 VanDerWaalsContact CZ-CB 3.48Å; Y575-M618 PolarHBondContact N-O 3.42Å; Y575-M618 PolarHBondContact O-N 2.78Å; I577-M618 HydrophobicContact CD1-CG 3.69Å; I577-M618 HydrophobicContact CG1-CG 4.17Å; M618-D626 HydrophobicContact CE-CB 4Å; M618-V627 CarbonylContact C-O 3.6Å; M618-V627 WeakPolarHBondContact CA-O 3.44Å; M618-F628 HydrophobicContact CE-CB 4.43Å; M618-F628 HydrophobicContact SD-CB 4.2Å; M618-F628 HydrophobicContact SD-CD2 3.84Å; M618-F628 HydrophobicContact SD-CG 4.5Å |
| 619 | D | 94.2 | Very high | 91.8 | Very high | 9 Ų | 9 | 59.5 Ų | 59.5 | 5% | 0.048 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 116.6 | 170.6 | 177.9 | 20.6 | 0 | 0 | 0 | 109.3 | P566 P572 S573 H621 D626 V627 L629 | P566-D619 HydrophobicContact CG-CB 4.46Å; P566-D619 WeakPolarHBondContact CG-OD2 3.08Å; P572-D619 WeakPolarHBondContact CA-OD1 3.1Å; P572-D619 HydrophobicContact CB-CB 4.08Å; S573-D619 PolarHBondContact N-OD1 3.05Å; D619-H621 PolarHBondContact O-N 2.95Å; D619-H621 IonicContact OD1-CD2 2.71Å; D619-H621 IonicContact OD2-CD2 3.69Å; D619-H621 PolarHBondContact OD2-CD2 2.73Å; D619-H621 IonicContact OD2-NE2 3.92Å; D619-H621 PolarHBondContact OD2-NE2 3.09Å; D619-D626 WeakPolarHBondContact O-CA 3.44Å; D619-D626 WeakPolarHBondContact O-CB 3.24Å; D619-V627 HydrophobicContact CB-CB 4.17Å; D619-V627 PolarHBondContact N-O 2.73Å; D619-V627 PolarHBondContact O-N 3.01Å; D619-L629 HydrophobicContact CB-CD1 3.96Å; D619-L629 HydrophobicContact CB-CD2 4.04Å; D619-L629 HydrophobicContact CB-CG 3.95Å |
| 620 | K | 93.7 | Very high | 92.1 | Very high | 83 Ų | 83 | 56.5 Ų | 56.5 | 36% | 0.361 | 31% | 0.312 | S | S | . | . | P | Polyproline II helix | trans | -75.1 | 119.4 | -178.4 | -172 | 77.8 | -160.4 | 141.1 | 0 | 110.6 | S573 Y575 I589 D626 | S573-K620 WeakPolarHBondContact O-CB 3.05Å; S573-K620 PolarHBondContact O-N 3.11Å; Y575-K620 HydrophobicContact CD1-CB 4.1Å; Y575-K620 HydrophobicContact CD1-CD 4.48Å; Y575-K620 HydrophobicContact CE1-CB 4.1Å; Y575-K620 HydrophobicContact CE1-CD 3.95Å; I589-K620 HydrophobicContact CD1-CB 4.28Å; I589-K620 HydrophobicContact CD1-CD 3.83Å; I589-K620 HydrophobicContact CD1-CG 3.83Å; I589-K620 HydrophobicContact CG1-CB 4.31Å; I589-K620 HydrophobicContact CG1-CD 4.5Å; I589-K620 HydrophobicContact CG1-CG 4.4Å; I589-K620 HydrophobicContact CG2-CB 3.84Å; I589-K620 HydrophobicContact CG2-CG 4.39Å; K620-D626 VanDerWaalsContact NZ-CG 3.28Å; K620-D626 IonicContact NZ-OD1 3.17Å; K620-D626 PolarHBondContact NZ-OD1 2.87Å; K620-D626 IonicContact NZ-OD2 3.73Å; K620-D626 PolarHBondContact NZ-OD2 2.95Å |
| 621 | H | 88.7 | Confident | 92.3 | Very high | 68 Ų | 68 | 50.3 Ų | 50.3 | 32% | 0.315 | 28% | 0.278 | S | S | . | . | P | Polyproline II helix | trans | -101.9 | 141.3 | 174.4 | -74.1 | -161 | 0 | 0 | 0 | 110.6 | D619 L623 D626 V627 | D619-H621 PolarHBondContact O-N 2.95Å; D619-H621 IonicContact OD1-CD2 2.71Å; D619-H621 IonicContact OD2-CD2 3.69Å; D619-H621 PolarHBondContact OD2-CD2 2.73Å; D619-H621 IonicContact OD2-NE2 3.92Å; D619-H621 PolarHBondContact OD2-NE2 3.09Å; H621-L623 VanDerWaalsContact C-N 3.29Å; H621-L623 PolarHBondContact O-N 3.04Å; H621-D626 PolarHBondContact N-OD1 3.31Å; H621-V627 WeakPolarHBondContact CE1-CG2 3.46Å |
| 622 | A | 82.8 | Confident | 92.5 | Very high | 109 Ų | 109 | 45.8 Ų | 45.8 | 90% | 0.901 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -67.8 | -31 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 623 | L | 81.1 | Confident | 92.6 | Very high | 162 Ų | 162 | 45.5 Ų | 45.5 | 85% | 0.848 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -136.2 | 133.3 | 179.1 | -74.1 | 161.6 | 0 | 0 | 0 | 109 | H621 | H621-L623 VanDerWaalsContact C-N 3.29Å; H621-L623 PolarHBondContact O-N 3.04Å |
| 624 | G | 86.1 | Confident | 92.5 | Very high | 68 Ų | 68 | 45.5 Ų | 45.5 | 70% | 0.701 | 26% | 0.258 | S | S | * | . | S | Bend | trans | 94.9 | -157 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 625 | F | 90.6 | Very high | 92.3 | Very high | 194 Ų | 194 | 47 Ų | 47 | 85% | 0.851 | 27% | 0.27 | S | S | * | . | P | Polyproline II helix | trans | -91.4 | 140 | -179 | -63.2 | -76.6 | 0 | 0 | 0 | 111 | ||
| 626 | D | 92.3 | Very high | 91.9 | Very high | 32 Ų | 32 | 50.2 Ų | 50.2 | 17% | 0.171 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -62.6 | 142.2 | 173.6 | -63.8 | -12.2 | 0 | 0 | 0 | 110.8 | Y575 M618 D619 K620 H621 | Y575-D626 WeakPolarHBondContact CE1-OD2 3.38Å; Y575-D626 PolarHBondContact OH-OD2 3.07Å; M618-D626 HydrophobicContact CE-CB 4Å; D619-D626 WeakPolarHBondContact O-CA 3.44Å; D619-D626 WeakPolarHBondContact O-CB 3.24Å; K620-D626 VanDerWaalsContact NZ-CG 3.28Å; K620-D626 IonicContact NZ-OD1 3.17Å; K620-D626 PolarHBondContact NZ-OD1 2.87Å; K620-D626 IonicContact NZ-OD2 3.73Å; K620-D626 PolarHBondContact NZ-OD2 2.95Å; H621-D626 PolarHBondContact N-OD1 3.31Å |
| 627 | V | 92.6 | Very high | 91.5 | Very high | 48 Ų | 48 | 52.5 Ų | 52.5 | 29% | 0.291 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 138.2 | -175.7 | 178.3 | 0 | 0 | 0 | 0 | 110.5 | P566 M618 D619 H621 | P566-V627 HydrophobicContact CB-CG1 3.9Å; P566-V627 HydrophobicContact CG-CB 4.41Å; P566-V627 HydrophobicContact CG-CG1 3.95Å; M618-V627 CarbonylContact C-O 3.6Å; M618-V627 WeakPolarHBondContact CA-O 3.44Å; D619-V627 HydrophobicContact CB-CB 4.17Å; D619-V627 PolarHBondContact N-O 2.73Å; D619-V627 PolarHBondContact O-N 3.01Å; H621-V627 WeakPolarHBondContact CE1-CG2 3.46Å |
| 628 | F | 93.3 | Very high | 91.2 | Very high | 24 Ų | 24 | 55.1 Ų | 55.1 | 11% | 0.105 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 126 | 179.2 | 176.1 | -94.2 | 0 | 0 | 0 | 110.7 | Q616 M618 G630 R631 R652 | Q616-F628 HydrophobicContact CB-CE2 4.37Å; M618-F628 HydrophobicContact CE-CB 4.43Å; M618-F628 HydrophobicContact SD-CB 4.2Å; M618-F628 HydrophobicContact SD-CD2 3.84Å; M618-F628 HydrophobicContact SD-CG 4.5Å; F628-G630 VanDerWaalsContact CE1-CA 3.47Å; F628-G630 WeakPolarHBondContact CE2-O 3.29Å; F628-G630 VanDerWaalsContact CZ-CA 3.46Å; F628-R631 HydrophobicContact CE2-CB 3.96Å; F628-R631 HydrophobicContact CE2-CG 4.45Å; F628-R631 HydrophobicContact CZ-CB 3.8Å; F628-R631 HydrophobicContact CZ-CG 3.92Å; F628-R652 HydrophobicContact CD1-CG 3.74Å; F628-R652 HydrophobicContact CD2-CG 4.25Å; F628-R652 HydrophobicContact CE1-CG 3.76Å; F628-R652 HydrophobicContact CE2-CG 4.27Å; F628-R652 HydrophobicContact CG-CG 3.98Å; F628-R652 HydrophobicContact CZ-CG 4.02Å |
| 629 | L | 93.2 | Very high | 91 | Very high | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.005 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | -27.9 | 179.6 | -63.3 | -178.8 | 0 | 0 | 0 | 113 | L563 P566 P572 P574 I617 D619 M662 | L563-L629 HydrophobicContact CD1-CD1 4.21Å; P566-L629 HydrophobicContact CG-CD2 3.62Å; P572-L629 HydrophobicContact CB-CD1 3.89Å; P572-L629 HydrophobicContact CB-CD2 4.48Å; P572-L629 HydrophobicContact CG-CD1 4.21Å; P574-L629 HydrophobicContact CB-CD1 4.04Å; I617-L629 HydrophobicContact CB-CB 4.24Å; I617-L629 HydrophobicContact CG2-CB 4.16Å; I617-L629 HydrophobicContact CG2-CD1 4.01Å; I617-L629 WeakPolarHBondContact O-CB 3.22Å; I617-L629 PolarHBondContact O-N 3.48Å; D619-L629 HydrophobicContact CB-CD1 3.96Å; D619-L629 HydrophobicContact CB-CD2 4.04Å; D619-L629 HydrophobicContact CB-CG 3.95Å; L629-M662 VanDerWaalsContact O-CE 3.29Å; L629-M662 WeakPolarHBondContact O-CE 3.46Å |
| 630 | G | 94.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 161.3 | 170.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | I617 F628 Y650 | I617-G630 PolarHBondContact N-O 3.27Å; I617-G630 PolarHBondContact O-N 2.81Å; F628-G630 VanDerWaalsContact CE1-CA 3.47Å; F628-G630 WeakPolarHBondContact CE2-O 3.29Å; F628-G630 VanDerWaalsContact CZ-CA 3.46Å; G630-Y650 CarbonylContact C-O 3.45Å; G630-Y650 WeakPolarHBondContact CA-O 3.42Å |
| 631 | R | 94.9 | Very high | 90.4 | Very high | 10 Ų | 10 | 55.8 Ų | 55.8 | 4% | 0.038 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 164.1 | 173.3 | 71.8 | 179.2 | -176.9 | 129.7 | -1 | 112.2 | I615 Q616 F628 L649 Y650 G651 D653 | I615-R631 CarbonylContact O-C 3.47Å; I615-R631 WeakPolarHBondContact O-CA 3.43Å; I615-R631 VanDerWaalsContact O-CB 3.28Å; I615-R631 WeakPolarHBondContact O-CB 3.25Å; Q616-R631 HydrophobicContact CB-CB 4.4Å; Q616-R631 HydrophobicContact CG-CB 4.03Å; F628-R631 HydrophobicContact CE2-CB 3.96Å; F628-R631 HydrophobicContact CE2-CG 4.45Å; F628-R631 HydrophobicContact CZ-CB 3.8Å; F628-R631 HydrophobicContact CZ-CG 3.92Å; R631-L649 CarbonylContact O-C 3.52Å; R631-L649 WeakPolarHBondContact O-CA 3.48Å; R631-Y650 PolarHBondContact N-O 3.02Å; R631-Y650 PolarHBondContact O-N 3.1Å; R631-G651 WeakPolarHBondContact CD-O 3.08Å; R631-G651 WeakPolarHBondContact CG-O 3.49Å; R631-G651 PolarHBondContact NE-O 2.83Å; R631-D653 IonicContact CZ-OD1 3.39Å; R631-D653 IonicContact CZ-OD2 3.65Å; R631-D653 IonicContact NH1-OD1 2.69Å; R631-D653 PolarHBondContact NH1-OD1 2.76Å; R631-D653 IonicContact NH1-OD2 2.88Å; R631-D653 PolarHBondContact NH1-OD2 2.94Å; R631-D653 IonicContact NH2-OD1 3.57Å; R631-D653 PolarHBondContact NH2-OD1 3.12Å; R631-D653 IonicContact NH2-OD2 3.48Å |
| 632 | H | 95.3 | Very high | 90.1 | Very high | 14 Ų | 14 | 59 Ų | 59 | 7% | 0.065 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 142.5 | 165.9 | -160.1 | 86.2 | 0 | 0 | 0 | 109.7 | E614 I615 F634 E638 V647 V648 Y650 | E614-H632 WeakPolarHBondContact CA-O 3.35Å; I615-H632 PolarHBondContact N-O 3.47Å; I615-H632 PolarHBondContact O-N 3.18Å; H632-F634 HydrophobicContact CB-CE2 4.07Å; H632-F634 HydrophobicContact CB-CZ 4.1Å; H632-F634 AromaticContact CD2-CD1 3.55Å; H632-F634 AromaticContact CD2-CD2 3.99Å; H632-F634 AromaticContact CD2-CE1 3.41Å; H632-F634 VanDerWaalsContact CD2-CE1 3.41Å; H632-F634 WeakPolarHBondContact CD2-CE1 3.5Å; H632-F634 AromaticContact CD2-CE2 3.83Å; H632-F634 AromaticContact CD2-CG 3.86Å; H632-F634 AromaticContact CD2-CZ 3.57Å; H632-E638 IonicContact NE2-OE1 3.98Å; H632-V647 HydrophobicContact CB-CG2 4.17Å; H632-V648 PolarHBondContact ND1-O 3.27Å; H632-Y650 AromaticContact ND1-CE2 3.86Å |
| 633 | S | 94 | Very high | 90.3 | Very high | 35 Ų | 35 | 57.7 Ų | 57.7 | 25% | 0.245 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 104.8 | 179.2 | -174.5 | 0 | 0 | 0 | 0 | 107.4 | P612 | P612-S633 VanDerWaalsContact CB-OG 3.3Å; P612-S633 WeakPolarHBondContact CB-OG 3.49Å; P612-S633 WeakPolarHBondContact CG-OG 3.47Å |
| 634 | F | 94.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 125.2 | -171.4 | -63.7 | -86.5 | 0 | 0 | 0 | 110.7 | P612 I613 I615 H632 E638 I639 V647 L666 I668 F670 | P612-F634 VanDerWaalsContact CA-O 3.29Å; P612-F634 WeakPolarHBondContact CA-O 3.35Å; P612-F634 WeakPolarHBondContact CB-O 3.17Å; I613-F634 WeakPolarHBondContact O-CD2 3.48Å; I613-F634 PolarHBondContact O-N 2.91Å; I615-F634 HydrophobicContact CB-CE2 4.14Å; I615-F634 HydrophobicContact CD1-CD2 4.41Å; I615-F634 HydrophobicContact CD1-CE2 3.53Å; I615-F634 HydrophobicContact CD1-CZ 4.14Å; I615-F634 HydrophobicContact CG1-CD2 4.33Å; I615-F634 HydrophobicContact CG1-CE2 3.68Å; H632-F634 HydrophobicContact CB-CE2 4.07Å; H632-F634 HydrophobicContact CB-CZ 4.1Å; H632-F634 AromaticContact CD2-CD1 3.55Å; H632-F634 AromaticContact CD2-CD2 3.99Å; H632-F634 AromaticContact CD2-CE1 3.41Å; H632-F634 VanDerWaalsContact CD2-CE1 3.41Å; H632-F634 WeakPolarHBondContact CD2-CE1 3.5Å; H632-F634 AromaticContact CD2-CE2 3.83Å; H632-F634 AromaticContact CD2-CG 3.86Å; H632-F634 AromaticContact CD2-CZ 3.57Å; F634-E638 HydrophobicContact CD1-CB 4.26Å; F634-I639 HydrophobicContact CB-CD1 4.33Å; F634-I639 HydrophobicContact CB-CG1 3.96Å; F634-V647 HydrophobicContact CE1-CB 4.36Å; F634-V647 HydrophobicContact CE1-CG1 3.79Å; F634-V647 HydrophobicContact CE1-CG2 3.94Å; F634-V647 HydrophobicContact CZ-CG2 3.8Å; F634-L666 HydrophobicContact CZ-CD2 4.42Å; F634-I668 HydrophobicContact CD1-CD1 3.86Å; F634-I668 HydrophobicContact CE1-CD1 3.14Å; F634-I668 HydrophobicContact CE1-CG1 3.83Å; F634-I668 HydrophobicContact CE2-CD1 4.26Å; F634-I668 HydrophobicContact CZ-CD1 3.39Å; F634-I668 HydrophobicContact CZ-CG1 3.86Å; F634-F670 HydrophobicContact CB-CE2 4.21Å; F634-F670 HydrophobicContact CB-CZ 4.18Å; F634-F670 AromaticContact CD1-CE2 3.63Å; F634-F670 HydrophobicContact CD1-CE2 3.63Å; F634-F670 HydrophobicContact CD1-CZ 4.08Å; F634-F670 HydrophobicContact CD2-CE2 4.42Å; F634-F670 HydrophobicContact CD2-CZ 4.04Å; F634-F670 HydrophobicContact CE1-CE2 4.06Å; F634-F670 HydrophobicContact CE1-CZ 4.5Å; F634-F670 HydrophobicContact CE2-CZ 4.5Å; F634-F670 AromaticContact CG-CE2 3.82Å; F634-F670 HydrophobicContact CG-CE2 3.82Å; F634-F670 AromaticContact CG-CZ 3.82Å; F634-F670 HydrophobicContact CG-CZ 3.82Å |
| 635 | T | 90.1 | Very high | 91.1 | Very high | 75 Ų | 75 | 53.1 Ų | 53.1 | 46% | 0.46 | 29% | 0.286 | S | S | . | . | trans | -75.9 | 163.9 | 172.1 | 64 | 0 | 0 | 0 | 0 | 111.1 | A637 E638 I639 | T635-A637 PolarHBondContact O-N 3.49Å; T635-E638 WeakPolarHBondContact CB-OE2 3.17Å; T635-E638 PolarHBondContact N-OE2 2.66Å; T635-E638 PolarHBondContact O-N 3.18Å; T635-E638 VanDerWaalsContact O-N 3.11Å; T635-E638 WeakPolarHBondContact OG1-CG 3.36Å; T635-E638 PolarHBondContact OG1-OE2 3.37Å; T635-I639 WeakPolarHBondContact O-CG1 3.42Å; T635-I639 PolarHBondContact O-N 2.89Å | ||
| 636 | E | 89 | Confident | 91.3 | Very high | 68 Ų | 68 | 49.9 Ų | 49.9 | 32% | 0.318 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -58.9 | -35.9 | 177.6 | -168.5 | 65.2 | -177.2 | 0 | 0 | 112.8 | R606 L609 E638 I639 A640 | R606-E636 IonicContact CZ-OE2 2.76Å; R606-E636 VanDerWaalsContact CZ-OE2 3.28Å; R606-E636 IonicContact NH1-OE1 3.81Å; R606-E636 IonicContact NH1-OE2 2.78Å; R606-E636 PolarHBondContact NH1-OE2 2.87Å; R606-E636 IonicContact NH2-OE2 2.85Å; R606-E636 PolarHBondContact NH2-OE2 2.95Å; L609-E636 VanDerWaalsContact O-OE2 3.06Å; E636-E638 VanDerWaalsContact C-N 3.33Å; E636-E638 PolarHBondContact O-N 3.16Å; E636-I639 PolarHBondContact O-N 3.08Å; E636-A640 WeakPolarHBondContact O-CB 3.48Å; E636-A640 PolarHBondContact O-N 2.95Å |
| 637 | A | 88.4 | Confident | 91.4 | Very high | 80 Ų | 80 | 48.9 Ų | 48.9 | 66% | 0.661 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -66.1 | -35.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | T635 N641 | T635-A637 PolarHBondContact O-N 3.49Å; A637-N641 PolarHBondContact O-N 3.21Å |
| 638 | E | 90.5 | Very high | 91.5 | Very high | 56 Ų | 56 | 49.4 Ų | 49.4 | 26% | 0.262 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -74.7 | -36.6 | 176.3 | -69.1 | 161.5 | 143.3 | 0 | 0 | 111.6 | H632 F634 T635 E636 N641 Q645 | H632-E638 IonicContact NE2-OE1 3.98Å; F634-E638 HydrophobicContact CD1-CB 4.26Å; T635-E638 WeakPolarHBondContact CB-OE2 3.17Å; T635-E638 PolarHBondContact N-OE2 2.66Å; T635-E638 PolarHBondContact O-N 3.18Å; T635-E638 VanDerWaalsContact O-N 3.11Å; T635-E638 WeakPolarHBondContact OG1-CG 3.36Å; T635-E638 PolarHBondContact OG1-OE2 3.37Å; E636-E638 VanDerWaalsContact C-N 3.33Å; E636-E638 PolarHBondContact O-N 3.16Å; E638-N641 WeakPolarHBondContact O-CB 3.45Å; E638-N641 PolarHBondContact O-N 3.29Å; E638-Q645 PolarHBondContact O-NE2 2.8Å |
| 639 | I | 91.6 | Very high | 91.6 | Very high | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -67.4 | -38.4 | 176 | -64.8 | 167.5 | 0 | 0 | 0 | 111.2 | V553 I613 F634 T635 E636 N641 F670 | V553-I639 HydrophobicContact CG1-CG2 3.96Å; V553-I639 HydrophobicContact CG2-CG2 4.04Å; I613-I639 HydrophobicContact CB-CD1 4.3Å; I613-I639 HydrophobicContact CD1-CD1 3.94Å; I613-I639 HydrophobicContact CD1-CG1 4.41Å; I613-I639 HydrophobicContact CG1-CD1 3.9Å; F634-I639 HydrophobicContact CB-CD1 4.33Å; F634-I639 HydrophobicContact CB-CG1 3.96Å; T635-I639 WeakPolarHBondContact O-CG1 3.42Å; T635-I639 PolarHBondContact O-N 2.89Å; E636-I639 PolarHBondContact O-N 3.08Å; I639-N641 PolarHBondContact O-N 2.98Å; I639-F670 HydrophobicContact CG1-CD2 4.42Å; I639-F670 HydrophobicContact CG1-CE1 4.43Å; I639-F670 HydrophobicContact CG1-CE2 4.08Å; I639-F670 HydrophobicContact CG1-CZ 4.1Å; I639-F670 HydrophobicContact CG2-CD1 4.46Å; I639-F670 HydrophobicContact CG2-CG 4.44Å; I639-F670 VanDerWaalsContact O-CB 3.31Å; I639-F670 WeakPolarHBondContact O-CB 3.44Å |
| 640 | A | 88.2 | Confident | 91.6 | Very high | 58 Ų | 58 | 51.6 Ų | 51.6 | 48% | 0.479 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -15.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | E636 R642 | E636-A640 WeakPolarHBondContact O-CB 3.48Å; E636-A640 PolarHBondContact O-N 2.95Å; A640-R642 PolarHBondContact O-N 2.64Å |
| 641 | N | 86.8 | Confident | 91.5 | Very high | 68 Ų | 68 | 51.6 Ų | 51.6 | 36% | 0.364 | 28% | 0.28 | S | S | . | . | trans | -78.9 | 112.3 | 178.1 | -176 | 3.3 | 0 | 0 | 0 | 110.7 | A637 E638 I639 C643 Q645 | A637-N641 PolarHBondContact O-N 3.21Å; E638-N641 WeakPolarHBondContact O-CB 3.45Å; E638-N641 PolarHBondContact O-N 3.29Å; I639-N641 PolarHBondContact O-N 2.98Å; N641-C643 VanDerWaalsContact C-N 3.29Å; N641-C643 PolarHBondContact O-N 2.79Å; N641-C643 PolarHBondContact OD1-N 3.32Å; N641-Q645 PolarHBondContact O-NE2 3.43Å | ||
| 642 | R | 82.5 | Confident | 91.1 | Very high | 136 Ų | 136 | 56.9 Ų | 56.9 | 51% | 0.513 | 30% | 0.3 | S | S | . | . | trans | -84.3 | 5.9 | -176.1 | -63 | -176.6 | 176.1 | -171.9 | -5.8 | 114.8 | A640 F670 S672 | A640-R642 PolarHBondContact O-N 2.64Å; R642-F670 WeakPolarHBondContact CA-O 3.1Å; R642-S672 PolarHBondContact NH2-O 2.98Å | ||
| 643 | C | 86.9 | Confident | 90.2 | Very high | 81 Ų | 81 | 60.1 Ų | 60.1 | 55% | 0.547 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -93 | 157.6 | 175.7 | -64.7 | 0 | 0 | 0 | 0 | 110.6 | N641 Q645 | N641-C643 VanDerWaalsContact C-N 3.29Å; N641-C643 PolarHBondContact O-N 2.79Å; N641-C643 PolarHBondContact OD1-N 3.32Å; C643-Q645 WeakPolarHBondContact O-CG 3.45Å; C643-Q645 PolarHBondContact O-N 3.41Å |
| 644 | Q | 90.9 | Very high | 89.6 | Confident | 112 Ų | 112 | 61.5 Ų | 61.5 | 52% | 0.523 | 33% | 0.325 | S | S | . | . | trans | -59.3 | 130.5 | 166.8 | -172.5 | -179.1 | -7.7 | 0 | 0 | 109.9 | I668 | Q644-I668 CarbonylContact C-O 3.43Å; Q644-I668 WeakPolarHBondContact CA-O 3.43Å | ||
| 645 | Q | 92.9 | Very high | 88.8 | Confident | 23 Ų | 23 | 71.5 Ų | 71.5 | 11% | 0.107 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 133.2 | -176.1 | -67.5 | 171.9 | 75.7 | 0 | 0 | 109.9 | E638 N641 C643 V647 F667 I668 | E638-Q645 PolarHBondContact O-NE2 2.8Å; N641-Q645 PolarHBondContact O-NE2 3.43Å; C643-Q645 WeakPolarHBondContact O-CG 3.45Å; C643-Q645 PolarHBondContact O-N 3.41Å; Q645-V647 HydrophobicContact CB-CG1 4.21Å; Q645-F667 WeakPolarHBondContact O-CA 3.28Å; Q645-I668 HydrophobicContact CB-CG1 4.43Å; Q645-I668 PolarHBondContact N-O 3.28Å; Q645-I668 PolarHBondContact O-N 2.75Å |
| 646 | E | 95.3 | Very high | 88.2 | Confident | 125 Ų | 125 | 72.1 Ų | 72.1 | 58% | 0.584 | 38% | 0.381 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 114.5 | 163.9 | -177.4 | 178.3 | -168.6 | 0 | 0 | 108.7 | S665 F667 | E646-S665 WeakPolarHBondContact OE1-CB 3.25Å; E646-S665 PolarHBondContact OE1-OG 3.18Å; E646-F667 HydrophobicContact CB-CD1 3.95Å; E646-F667 HydrophobicContact CB-CE1 3.67Å; E646-F667 HydrophobicContact CB-CZ 4.33Å; E646-F667 VanDerWaalsContact CD-CZ 3.5Å; E646-F667 HydrophobicContact CG-CD1 4.16Å; E646-F667 HydrophobicContact CG-CE1 3.59Å; E646-F667 HydrophobicContact CG-CE2 4.39Å; E646-F667 HydrophobicContact CG-CZ 3.71Å; E646-F667 WeakPolarHBondContact OE1-CZ 3.4Å |
| 647 | V | 94.4 | Very high | 87.8 | Confident | 11 Ų | 11 | 72.1 Ų | 72.1 | 7% | 0.067 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 144.2 | -177.5 | -59.3 | 0 | 0 | 0 | 0 | 112.8 | H632 F634 Q645 S665 L666 | H632-V647 HydrophobicContact CB-CG2 4.17Å; F634-V647 HydrophobicContact CE1-CB 4.36Å; F634-V647 HydrophobicContact CE1-CG1 3.79Å; F634-V647 HydrophobicContact CE1-CG2 3.94Å; F634-V647 HydrophobicContact CZ-CG2 3.8Å; Q645-V647 HydrophobicContact CB-CG1 4.21Å; V647-S665 WeakPolarHBondContact O-CA 3.38Å; V647-L666 HydrophobicContact CG2-CB 3.88Å; V647-L666 HydrophobicContact CG2-CD2 4.28Å; V647-L666 HydrophobicContact CG2-CG 4.4Å; V647-L666 WeakPolarHBondContact CG2-O 3.37Å; V647-L666 PolarHBondContact N-O 3.15Å; V647-L666 PolarHBondContact O-N 2.68Å |
| 648 | V | 94.6 | Very high | 87.4 | Confident | 59 Ų | 59 | 74.2 Ų | 74.2 | 36% | 0.358 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 140.2 | 178.9 | -177.5 | 0 | 0 | 0 | 0 | 110 | H632 Y650 K661 | H632-V648 PolarHBondContact ND1-O 3.27Å; V648-Y650 HydrophobicContact CB-CE2 4.45Å; V648-Y650 WeakPolarHBondContact O-CD2 3.46Å; V648-Y650 WeakPolarHBondContact O-CE2 3.3Å; V648-K661 HydrophobicContact CG1-CB 4.45Å; V648-K661 HydrophobicContact CG1-CD 4.15Å; V648-K661 HydrophobicContact CG1-CG 4.1Å |
| 649 | L | 95.1 | Very high | 87.1 | Confident | 0 Ų | 0 | 79.3 Ų | 79.3 | 0% | 0 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 145.2 | 176.4 | -62 | 171 | 0 | 0 | 0 | 111.7 | L563 I617 R631 M662 L666 | L563-L649 HydrophobicContact CD2-CD1 3.72Å; I617-L649 HydrophobicContact CD1-CD1 3.65Å; I617-L649 HydrophobicContact CD1-CD2 3.79Å; I617-L649 HydrophobicContact CD1-CG 4.36Å; I617-L649 HydrophobicContact CG1-CD2 4.22Å; R631-L649 CarbonylContact O-C 3.52Å; R631-L649 WeakPolarHBondContact O-CA 3.48Å; L649-M662 HydrophobicContact CB-CB 4.03Å; L649-M662 PolarHBondContact O-N 3.07Å; L649-L666 HydrophobicContact CD2-CB 4.1Å |
| 650 | Y | 94.4 | Very high | 87 | Confident | 71 Ų | 71 | 84.4 Ų | 84.4 | 28% | 0.278 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 164.9 | 178.7 | -63 | -86.1 | 0 | 0 | 0 | 112.1 | G630 R631 H632 V648 Q660 K661 M662 | G630-Y650 CarbonylContact C-O 3.45Å; G630-Y650 WeakPolarHBondContact CA-O 3.42Å; R631-Y650 PolarHBondContact N-O 3.02Å; R631-Y650 PolarHBondContact O-N 3.1Å; H632-Y650 AromaticContact ND1-CE2 3.86Å; V648-Y650 HydrophobicContact CB-CE2 4.45Å; V648-Y650 WeakPolarHBondContact O-CD2 3.46Å; V648-Y650 WeakPolarHBondContact O-CE2 3.3Å; Y650-Q660 CarbonylContact C-O 3.6Å; Y650-Q660 VanDerWaalsContact CA-O 3.24Å; Y650-Q660 WeakPolarHBondContact CA-O 3.4Å; Y650-K661 HydrophobicContact CD1-CG 4.29Å; Y650-K661 HydrophobicContact CE1-CG 3.92Å; Y650-M662 WeakPolarHBondContact O-CG 3.16Å |
| 651 | G | 91 | Very high | 87.1 | Confident | 0 Ų | 0 | 88.6 Ų | 88.6 | 0% | 0 | 42% | 0.424 | C | S | . | . | trans | -68.7 | -177.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | R631 E657 Q660 | R631-G651 WeakPolarHBondContact CD-O 3.08Å; R631-G651 WeakPolarHBondContact CG-O 3.49Å; R631-G651 PolarHBondContact NE-O 2.83Å; G651-E657 CarbonylContact C-O 3.57Å; G651-E657 WeakPolarHBondContact CA-O 3.38Å; G651-E657 PolarHBondContact N-O 2.99Å; G651-Q660 PolarHBondContact N-O 2.98Å | ||
| 652 | R | 87.3 | Confident | 87.3 | Confident | 122 Ų | 122 | 87.4 Ų | 87.4 | 46% | 0.46 | 42% | 0.417 | S | S | . | . | trans | -66.4 | 169.9 | -176.7 | -62.1 | 177.5 | 169 | -177.5 | -2.5 | 112.3 | F628 T654 E657 R658 | F628-R652 HydrophobicContact CD1-CG 3.74Å; F628-R652 HydrophobicContact CD2-CG 4.25Å; F628-R652 HydrophobicContact CE1-CG 3.76Å; F628-R652 HydrophobicContact CE2-CG 4.27Å; F628-R652 HydrophobicContact CG-CG 3.98Å; F628-R652 HydrophobicContact CZ-CG 4.02Å; R652-T654 PolarHBondContact O-N 3.19Å; R652-E657 VanDerWaalsContact CB-OE2 3.25Å; R652-E657 WeakPolarHBondContact CB-OE2 3.39Å; R652-E657 WeakPolarHBondContact CG-OE2 3.39Å; R652-E657 PolarHBondContact N-OE2 3.19Å; R652-E657 CarbonylContact O-C 3.6Å; R652-R658 WeakPolarHBondContact O-CA 3.22Å; R652-R658 PolarHBondContact O-N 2.98Å; R652-R658 VanDerWaalsContact O-N 3.08Å | ||
| 653 | D | 76.9 | Confident | 87.7 | Confident | 81 Ų | 81 | 86.6 Ų | 86.6 | 43% | 0.433 | 42% | 0.418 | S | S | . | . | S | Bend | trans | -71.3 | 13.4 | -180 | -108.9 | -30.8 | 0 | 0 | 0 | 115.6 | R631 R658 | R631-D653 IonicContact CZ-OD1 3.39Å; R631-D653 IonicContact CZ-OD2 3.65Å; R631-D653 IonicContact NH1-OD1 2.69Å; R631-D653 PolarHBondContact NH1-OD1 2.76Å; R631-D653 IonicContact NH1-OD2 2.88Å; R631-D653 PolarHBondContact NH1-OD2 2.94Å; R631-D653 IonicContact NH2-OD1 3.57Å; R631-D653 PolarHBondContact NH2-OD1 3.12Å; R631-D653 IonicContact NH2-OD2 3.48Å; D653-R658 IonicContact OD1-CZ 3.62Å; D653-R658 IonicContact OD1-NE 3.53Å; D653-R658 IonicContact OD1-NH1 3.28Å |
| 654 | T | 80.3 | Confident | 88 | Confident | 65 Ų | 65 | 83.7 Ų | 83.7 | 40% | 0.399 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -72.4 | 147.6 | 171.1 | 66.6 | 0 | 0 | 0 | 0 | 109.2 | R652 A656 E657 R658 | R652-T654 PolarHBondContact O-N 3.19Å; T654-A656 PolarHBondContact O-N 3.17Å; T654-E657 PolarHBondContact O-N 2.76Å; T654-E657 VanDerWaalsContact O-N 3.13Å; T654-E657 WeakPolarHBondContact OG1-CB 3.44Å; T654-E657 WeakPolarHBondContact OG1-CG 3.27Å; T654-E657 PolarHBondContact OG1-N 3.03Å; T654-R658 WeakPolarHBondContact O-CB 3.26Å; T654-R658 PolarHBondContact O-N 2.97Å |
| 655 | K | 76.8 | Confident | 88.2 | Confident | 209 Ų | 209 | 78.9 Ų | 78.9 | 91% | 0.909 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | -29.5 | 178.7 | -80.7 | -174.1 | 176.8 | -179.7 | 0 | 113 | ||
| 656 | A | 78.2 | Confident | 88.4 | Confident | 88 Ų | 88 | 77.8 Ų | 77.8 | 73% | 0.727 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -40.7 | -180 | 0 | 0 | 0 | 0 | 0 | 113.2 | T654 | T654-A656 PolarHBondContact O-N 3.17Š|
| 657 | E | 80.3 | Confident | 88.5 | Confident | 69 Ų | 69 | 73.7 Ų | 73.7 | 32% | 0.322 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | -18.4 | -170.4 | -64.5 | 173.2 | -148.6 | 0 | 0 | 113.6 | G651 R652 T654 F659 Q660 | G651-E657 CarbonylContact C-O 3.57Å; G651-E657 WeakPolarHBondContact CA-O 3.38Å; G651-E657 PolarHBondContact N-O 2.99Å; R652-E657 VanDerWaalsContact CB-OE2 3.25Å; R652-E657 WeakPolarHBondContact CB-OE2 3.39Å; R652-E657 WeakPolarHBondContact CG-OE2 3.39Å; R652-E657 PolarHBondContact N-OE2 3.19Å; R652-E657 CarbonylContact O-C 3.6Å; T654-E657 PolarHBondContact O-N 2.76Å; T654-E657 VanDerWaalsContact O-N 3.13Å; T654-E657 WeakPolarHBondContact OG1-CB 3.44Å; T654-E657 WeakPolarHBondContact OG1-CG 3.27Å; T654-E657 PolarHBondContact OG1-N 3.03Å; E657-F659 PolarHBondContact O-N 3.26Å; E657-Q660 VanDerWaalsContact O-CB 3.31Å; E657-Q660 WeakPolarHBondContact O-CB 3.42Å; E657-Q660 PolarHBondContact O-N 3.42Å |
| 658 | R | 80.9 | Confident | 88.6 | Confident | 123 Ų | 123 | 73.1 Ų | 73.1 | 46% | 0.464 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56 | -31.2 | -170.8 | 173.4 | 162.9 | -172 | 174.7 | 2.6 | 114.6 | R652 D653 T654 | R652-R658 WeakPolarHBondContact O-CA 3.22Å; R652-R658 PolarHBondContact O-N 2.98Å; R652-R658 VanDerWaalsContact O-N 3.08Å; D653-R658 IonicContact OD1-CZ 3.62Å; D653-R658 IonicContact OD1-NE 3.53Å; D653-R658 IonicContact OD1-NH1 3.28Å; T654-R658 WeakPolarHBondContact O-CB 3.26Å; T654-R658 PolarHBondContact O-N 2.97Å |
| 659 | F | 84.7 | Confident | 88.7 | Confident | 164 Ų | 164 | 73.7 Ų | 73.7 | 72% | 0.719 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.5 | 1 | 179.8 | -57 | -71.3 | 0 | 0 | 0 | 113.2 | E657 K661 | E657-F659 PolarHBondContact O-N 3.26Å; F659-K661 PolarHBondContact O-N 3.3Å |
| 660 | Q | 88.2 | Confident | 88.7 | Confident | 108 Ų | 108 | 73.8 Ų | 73.8 | 51% | 0.505 | 35% | 0.351 | S | S | . | . | P | Polyproline II helix | trans | -74.9 | 116.7 | 177.3 | -175.3 | 176.4 | -2.7 | 0 | 0 | 109.1 | Y650 G651 E657 M662 | Y650-Q660 CarbonylContact C-O 3.6Å; Y650-Q660 VanDerWaalsContact CA-O 3.24Å; Y650-Q660 WeakPolarHBondContact CA-O 3.4Å; G651-Q660 PolarHBondContact N-O 2.98Å; E657-Q660 VanDerWaalsContact O-CB 3.31Å; E657-Q660 WeakPolarHBondContact O-CB 3.42Å; E657-Q660 PolarHBondContact O-N 3.42Å; Q660-M662 PolarHBondContact O-N 2.73Å |
| 661 | K | 90.9 | Very high | 88.7 | Confident | 145 Ų | 145 | 73.6 Ų | 73.6 | 63% | 0.63 | 35% | 0.35 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67 | 130.5 | 173.2 | -70.3 | -175.3 | 177.1 | -175.6 | 0 | 109.9 | V648 Y650 F659 | V648-K661 HydrophobicContact CG1-CB 4.45Å; V648-K661 HydrophobicContact CG1-CD 4.15Å; V648-K661 HydrophobicContact CG1-CG 4.1Å; Y650-K661 HydrophobicContact CD1-CG 4.29Å; Y650-K661 HydrophobicContact CE1-CG 3.92Å; F659-K661 PolarHBondContact O-N 3.3Å |
| 662 | M | 90.9 | Very high | 88.8 | Confident | 43 Ų | 43 | 74.2 Ų | 74.2 | 21% | 0.212 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 163.4 | 174.7 | -62.6 | -66 | -75.2 | 0 | 0 | 109.9 | L629 L649 Y650 Q660 | L629-M662 VanDerWaalsContact O-CE 3.29Å; L629-M662 WeakPolarHBondContact O-CE 3.46Å; L649-M662 HydrophobicContact CB-CB 4.03Å; L649-M662 PolarHBondContact O-N 3.07Å; Y650-M662 WeakPolarHBondContact O-CG 3.16Å; Q660-M662 PolarHBondContact O-N 2.73Å |
| 663 | K | 89.9 | Confident | 89.1 | Confident | 120 Ų | 120 | 68.9 Ų | 68.9 | 52% | 0.522 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 135.3 | 177.6 | -162.7 | -169 | 175.5 | -179.4 | 0 | 110.3 | N562 L564 | N562-K663 WeakPolarHBondContact O-CG 3.41Å; L564-K663 HydrophobicContact CB-CB 4.11Å; L564-K663 HydrophobicContact CD1-CB 4.36Å; L564-K663 HydrophobicContact CD1-CD 4.05Å |
| 664 | G | 93.1 | Very high | 89.8 | Confident | 20 Ų | 20 | 66.7 Ų | 66.7 | 21% | 0.206 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 102.5 | 169 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | S561 N562 | S561-G664 CarbonylContact O-C 3.52Å; S561-G664 WeakPolarHBondContact O-CA 3.48Å; N562-G664 WeakPolarHBondContact O-CA 3.46Å; N562-G664 PolarHBondContact O-N 2.98Å |
| 665 | S | 95.9 | Very high | 90.2 | Very high | 10 Ų | 10 | 68.4 Ų | 68.4 | 7% | 0.07 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 155.2 | 178.4 | 57.5 | 0 | 0 | 0 | 0 | 110.7 | A560 S561 E646 V647 F667 | A560-S665 CarbonylContact C-O 3.58Å; A560-S665 WeakPolarHBondContact CA-O 3.43Å; A560-S665 VanDerWaalsContact CB-O 3.32Å; A560-S665 WeakPolarHBondContact CB-O 3.48Å; S561-S665 PolarHBondContact N-O 3.15Å; S561-S665 PolarHBondContact O-N 3.44Å; S561-S665 PolarHBondContact OG-OG 2.77Å; E646-S665 WeakPolarHBondContact OE1-CB 3.25Å; E646-S665 PolarHBondContact OE1-OG 3.18Å; V647-S665 WeakPolarHBondContact O-CA 3.38Å; S665-F667 WeakPolarHBondContact OG-CE2 3.08Å |
| 666 | L | 96.7 | Very high | 90.7 | Very high | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 134.6 | 176.9 | 176.9 | 73.2 | 0 | 0 | 0 | 109 | V557 A560 W598 I615 I617 F634 V647 L649 I668 | V557-L666 HydrophobicContact CG1-CD1 4.32Å; A560-L666 HydrophobicContact CB-CD1 4.29Å; W598-L666 HydrophobicContact CZ3-CD1 3.97Å; I615-L666 HydrophobicContact CB-CD2 4.18Å; I615-L666 HydrophobicContact CD1-CD2 4.06Å; I615-L666 HydrophobicContact CG2-CD2 3.85Å; I617-L666 HydrophobicContact CD1-CB 4.4Å; I617-L666 HydrophobicContact CD1-CD1 4.03Å; F634-L666 HydrophobicContact CZ-CD2 4.42Å; V647-L666 HydrophobicContact CG2-CB 3.88Å; V647-L666 HydrophobicContact CG2-CD2 4.28Å; V647-L666 HydrophobicContact CG2-CG 4.4Å; V647-L666 WeakPolarHBondContact CG2-O 3.37Å; V647-L666 PolarHBondContact N-O 3.15Å; V647-L666 PolarHBondContact O-N 2.68Å; L649-L666 HydrophobicContact CD2-CB 4.1Å; L666-I668 HydrophobicContact CD1-CG2 4.47Å; L666-I668 HydrophobicContact CD2-CG2 3.88Å; L666-I668 HydrophobicContact CG-CG2 3.89Å |
| 667 | F | 97.5 | Very high | 91.4 | Very high | 39 Ų | 39 | 67.1 Ų | 67.1 | 17% | 0.171 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 120.5 | 178.8 | -62.2 | -94.6 | 0 | 0 | 0 | 109.7 | H558 S559 Q645 E646 S665 | H558-F667 HydrophobicContact CB-CB 4.09Å; H558-F667 WeakPolarHBondContact CB-O 3.48Å; H558-F667 PolarHBondContact N-O 3.11Å; S559-F667 PolarHBondContact N-O 3.35Å; S559-F667 PolarHBondContact O-N 3.03Å; S559-F667 WeakPolarHBondContact OG-CD2 3.42Å; Q645-F667 WeakPolarHBondContact O-CA 3.28Å; E646-F667 HydrophobicContact CB-CD1 3.95Å; E646-F667 HydrophobicContact CB-CE1 3.67Å; E646-F667 HydrophobicContact CB-CZ 4.33Å; E646-F667 VanDerWaalsContact CD-CZ 3.5Å; E646-F667 HydrophobicContact CG-CD1 4.16Å; E646-F667 HydrophobicContact CG-CE1 3.59Å; E646-F667 HydrophobicContact CG-CE2 4.39Å; E646-F667 HydrophobicContact CG-CZ 3.71Å; E646-F667 WeakPolarHBondContact OE1-CZ 3.4Å; S665-F667 WeakPolarHBondContact OG-CE2 3.08Å |
| 668 | I | 97 | Very high | 91.8 | Very high | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 163.1 | -177.9 | 58.9 | 133.2 | 0 | 0 | 0 | 111.8 | L555 H556 I615 F634 Q644 Q645 L666 F670 | L555-I668 HydrophobicContact CD1-CB 4.04Å; L555-I668 HydrophobicContact CD1-CD1 4.24Å; L555-I668 HydrophobicContact CD1-CG2 4.17Å; H556-I668 CarbonylContact O-C 3.59Å; H556-I668 VanDerWaalsContact O-CA 3.23Å; H556-I668 WeakPolarHBondContact O-CA 3.42Å; I615-I668 HydrophobicContact CD1-CG2 4.18Å; F634-I668 HydrophobicContact CD1-CD1 3.86Å; F634-I668 HydrophobicContact CE1-CD1 3.14Å; F634-I668 HydrophobicContact CE1-CG1 3.83Å; F634-I668 HydrophobicContact CE2-CD1 4.26Å; F634-I668 HydrophobicContact CZ-CD1 3.39Å; F634-I668 HydrophobicContact CZ-CG1 3.86Å; Q644-I668 CarbonylContact C-O 3.43Å; Q644-I668 WeakPolarHBondContact CA-O 3.43Å; Q645-I668 HydrophobicContact CB-CG1 4.43Å; Q645-I668 PolarHBondContact N-O 3.28Å; Q645-I668 PolarHBondContact O-N 2.75Å; L666-I668 HydrophobicContact CD1-CG2 4.47Å; L666-I668 HydrophobicContact CD2-CG2 3.88Å; L666-I668 HydrophobicContact CG-CG2 3.89Å; I668-F670 HydrophobicContact CD1-CD2 3.6Å; I668-F670 HydrophobicContact CD1-CE2 3.08Å; I668-F670 HydrophobicContact CD1-CZ 3.65Å |
| 669 | E | 96.6 | Very high | 92.1 | Very high | 71 Ų | 71 | 62.6 Ų | 62.6 | 33% | 0.332 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 138.9 | 171.1 | -177.5 | -178.5 | 174.8 | 0 | 0 | 109.3 | H556 H558 | H556-E669 HydrophobicContact CB-CB 4.2Å; H556-E669 PolarHBondContact N-O 3.47Å; H556-E669 PolarHBondContact O-N 3.39Å; H558-E669 IonicContact CE1-OE2 3.07Å; H558-E669 IonicContact NE2-OE2 3.36Å |
| 670 | F | 95.9 | Very high | 92.3 | Very high | 1 Ų | 1 | 58.5 Ų | 58.5 | 0% | 0.004 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 143 | 175.8 | -71.5 | -71 | 0 | 0 | 0 | 110.9 | V553 R554 L555 I613 F634 I639 R642 I668 | V553-F670 HydrophobicContact CG1-CD1 3.59Å; V553-F670 HydrophobicContact CG1-CE1 4.15Å; V553-F670 HydrophobicContact CG1-CG 4.5Å; R554-F670 WeakPolarHBondContact O-CA 3.4Å; L555-F670 HydrophobicContact CB-CD1 4.07Å; L555-F670 HydrophobicContact CB-CE1 3.94Å; L555-F670 HydrophobicContact CD1-CD1 3.89Å; L555-F670 HydrophobicContact CD1-CE1 3.49Å; L555-F670 VanDerWaalsContact CD1-CE1 3.49Å; L555-F670 HydrophobicContact CD1-CZ 3.88Å; L555-F670 HydrophobicContact CD2-CE1 4.42Å; L555-F670 HydrophobicContact CG-CE1 4.12Å; I613-F670 HydrophobicContact CD1-CE1 3.87Å; I613-F670 HydrophobicContact CD1-CZ 4.47Å; F634-F670 HydrophobicContact CB-CE2 4.21Å; F634-F670 HydrophobicContact CB-CZ 4.18Å; F634-F670 AromaticContact CD1-CE2 3.63Å; F634-F670 HydrophobicContact CD1-CE2 3.63Å; F634-F670 HydrophobicContact CD1-CZ 4.08Å; F634-F670 HydrophobicContact CD2-CE2 4.42Å; F634-F670 HydrophobicContact CD2-CZ 4.04Å; F634-F670 HydrophobicContact CE1-CE2 4.06Å; F634-F670 HydrophobicContact CE1-CZ 4.5Å; F634-F670 HydrophobicContact CE2-CZ 4.5Å; F634-F670 AromaticContact CG-CE2 3.82Å; F634-F670 HydrophobicContact CG-CE2 3.82Å; F634-F670 AromaticContact CG-CZ 3.82Å; F634-F670 HydrophobicContact CG-CZ 3.82Å; I639-F670 HydrophobicContact CG1-CD2 4.42Å; I639-F670 HydrophobicContact CG1-CE1 4.43Å; I639-F670 HydrophobicContact CG1-CE2 4.08Å; I639-F670 HydrophobicContact CG1-CZ 4.1Å; I639-F670 HydrophobicContact CG2-CD1 4.46Å; I639-F670 HydrophobicContact CG2-CG 4.44Å; I639-F670 VanDerWaalsContact O-CB 3.31Å; I639-F670 WeakPolarHBondContact O-CB 3.44Å; R642-F670 WeakPolarHBondContact CA-O 3.1Å; I668-F670 HydrophobicContact CD1-CD2 3.6Å; I668-F670 HydrophobicContact CD1-CE2 3.08Å; I668-F670 HydrophobicContact CD1-CZ 3.65Å |
| 671 | Y | 94.4 | Very high | 92.1 | Very high | 68 Ų | 68 | 53.4 Ų | 53.4 | 27% | 0.267 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 118.2 | 166 | -178.5 | -92 | 0 | 0 | 0 | 108.6 | F476 R554 V673 I681 | F476-Y671 HydrophobicContact CE1-CD1 4.44Å; F476-Y671 HydrophobicContact CE2-CD1 4.04Å; F476-Y671 AromaticContact CE2-CE1 3.79Å; F476-Y671 HydrophobicContact CE2-CE1 3.79Å; F476-Y671 AromaticContact CZ-CD1 3.56Å; F476-Y671 HydrophobicContact CZ-CD1 3.56Å; F476-Y671 HydrophobicContact CZ-CD2 4.36Å; F476-Y671 AromaticContact CZ-CE1 3.46Å; F476-Y671 HydrophobicContact CZ-CE1 3.46Å; F476-Y671 VanDerWaalsContact CZ-CE1 3.46Å; F476-Y671 HydrophobicContact CZ-CE2 4.29Å; F476-Y671 HydrophobicContact CZ-CG 4.01Å; F476-Y671 AromaticContact CZ-CZ 3.85Å; R554-Y671 PolarHBondContact N-O 2.98Å; R554-Y671 PolarHBondContact O-N 2.64Å; Y671-V673 HydrophobicContact CD1-CG1 4.39Å; Y671-V673 HydrophobicContact CE1-CG1 3.59Å; Y671-I681 HydrophobicContact CD1-CD1 4.01Å; Y671-I681 HydrophobicContact CD1-CG1 4.3Å; Y671-I681 HydrophobicContact CE1-CD1 4.44Å; Y671-I681 HydrophobicContact CE1-CG1 4.46Å |
| 672 | S | 93 | Very high | 92.2 | Very high | 13 Ų | 13 | 48.8 Ų | 48.8 | 9% | 0.091 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 147.1 | -179.7 | 77.5 | 0 | 0 | 0 | 0 | 113.7 | E551 A552 R642 | E551-S672 WeakPolarHBondContact OE1-CB 3.49Å; E551-S672 PolarHBondContact OE1-OG 3.17Å; A552-S672 VanDerWaalsContact O-CA 3.25Å; A552-S672 WeakPolarHBondContact O-CA 3.41Å; R642-S672 PolarHBondContact NH2-O 2.98Å |
| 673 | V | 93.1 | Very high | 92.2 | Very high | 10 Ų | 10 | 49.1 Ų | 49.1 | 6% | 0.061 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 145 | 177 | -61.6 | 0 | 0 | 0 | 0 | 110.4 | E551 A552 Y671 D677 F678 I681 | E551-V673 WeakPolarHBondContact CA-O 3.3Å; E551-V673 WeakPolarHBondContact CG-O 3.41Å; A552-V673 HydrophobicContact CB-CG2 3.93Å; A552-V673 PolarHBondContact N-O 2.94Å; A552-V673 PolarHBondContact O-N 3.42Å; Y671-V673 HydrophobicContact CD1-CG1 4.39Å; Y671-V673 HydrophobicContact CE1-CG1 3.59Å; V673-D677 HydrophobicContact CB-CB 3.96Å; V673-D677 WeakPolarHBondContact CG2-O 3.46Å; V673-F678 HydrophobicContact CG2-CD1 4.29Å; V673-I681 HydrophobicContact CG2-CB 3.83Å; V673-I681 HydrophobicContact CG2-CD1 4.02Å; V673-I681 HydrophobicContact CG2-CG2 3.76Å |
| 674 | G | 92.2 | Very high | 92.4 | Very high | 35 Ų | 35 | 45.2 Ų | 45.2 | 36% | 0.361 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 170 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | E676 D677 F678 | G674-E676 PolarHBondContact O-N 3.3Å; G674-D677 CarbonylContact O-C 3.44Å; G674-D677 PolarHBondContact O-N 3.41Å; G674-F678 WeakPolarHBondContact O-CD1 3.46Å; G674-F678 PolarHBondContact O-N 3.44Å |
| 675 | Q | 87.2 | Confident | 92.3 | Very high | 101 Ų | 101 | 46.6 Ų | 46.6 | 47% | 0.472 | 24% | 0.237 | S | C | . | . | G | 310 helix | trans | -54 | -36.1 | -177.2 | -166.6 | -178.7 | -19.2 | 0 | 0 | 114.6 | P549 K550 D677 F678 | P549-Q675 WeakPolarHBondContact O-CG 3.4Å; P549-Q675 PolarHBondContact O-OE1 3.41Å; K550-Q675 PolarHBondContact O-N 3.08Å; Q675-D677 PolarHBondContact O-N 3.27Å; Q675-F678 VanDerWaalsContact CA-CE1 3.41Å; Q675-F678 HydrophobicContact CB-CE1 4.37Å; Q675-F678 HydrophobicContact CB-CZ 4.21Å; Q675-F678 HydrophobicContact CG-CE2 4.07Å; Q675-F678 HydrophobicContact CG-CZ 4.12Å |
| 676 | E | 87.8 | Confident | 92.1 | Very high | 193 Ų | 193 | 48.9 Ų | 48.9 | 90% | 0.902 | 25% | 0.248 | S | C | * | . | G | 310 helix | trans | -71.2 | -20.9 | -179.5 | -60.9 | -179.3 | -177.7 | 0 | 0 | 112.3 | G674 | G674-E676 PolarHBondContact O-N 3.3Š|
| 677 | D | 92.1 | Very high | 91.8 | Very high | 77 Ų | 77 | 52.2 Ų | 52.2 | 41% | 0.412 | 26% | 0.264 | S | S | . | . | G | 310 helix | trans | -110.6 | 19.2 | -173.2 | -67.6 | -51.4 | 0 | 0 | 0 | 112.7 | V673 G674 Q675 M679 N680 | V673-D677 HydrophobicContact CB-CB 3.96Å; V673-D677 WeakPolarHBondContact CG2-O 3.46Å; G674-D677 CarbonylContact O-C 3.44Å; G674-D677 PolarHBondContact O-N 3.41Å; Q675-D677 PolarHBondContact O-N 3.27Å; D677-M679 PolarHBondContact O-N 2.97Å; D677-N680 HydrophobicContact CB-CB 4.4Å; D677-N680 WeakPolarHBondContact O-CA 3.29Å; D677-N680 WeakPolarHBondContact O-CB 3.43Å; D677-N680 PolarHBondContact O-N 2.92Å; D677-N680 PolarHBondContact OD1-ND2 3.08Å; D677-N680 VanDerWaalsContact OD1-ND2 3.07Å |
| 678 | F | 90.3 | Very high | 91.4 | Very high | 12 Ų | 12 | 53.1 Ų | 53.1 | 5% | 0.053 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -60.7 | -17.2 | 178.8 | -77.7 | 0.5 | 0 | 0 | 0 | 114.2 | I536 P549 A552 Y605 V673 G674 Q675 N680 I681 | I536-F678 HydrophobicContact CG2-CB 3.94Å; I536-F678 HydrophobicContact CG2-CD2 4.24Å; P549-F678 HydrophobicContact CB-CE2 3.9Å; P549-F678 HydrophobicContact CB-CZ 3.9Å; A552-F678 HydrophobicContact CB-CD1 3.78Å; A552-F678 HydrophobicContact CB-CE1 3.72Å; A552-F678 HydrophobicContact CB-CZ 4.48Å; A552-F678 VanDerWaalsContact N-CE1 3.33Å; Y605-F678 HydrophobicContact CD1-CD2 4.35Å; Y605-F678 HydrophobicContact CD1-CE2 4.07Å; Y605-F678 HydrophobicContact CD1-CZ 4.21Å; Y605-F678 HydrophobicContact CE1-CD2 4.18Å; Y605-F678 HydrophobicContact CE1-CE2 4.37Å; Y605-F678 HydrophobicContact CE1-CG 4.36Å; V673-F678 HydrophobicContact CG2-CD1 4.29Å; G674-F678 WeakPolarHBondContact O-CD1 3.46Å; G674-F678 PolarHBondContact O-N 3.44Å; Q675-F678 VanDerWaalsContact CA-CE1 3.41Å; Q675-F678 HydrophobicContact CB-CE1 4.37Å; Q675-F678 HydrophobicContact CB-CZ 4.21Å; Q675-F678 HydrophobicContact CG-CE2 4.07Å; Q675-F678 HydrophobicContact CG-CZ 4.12Å; F678-N680 VanDerWaalsContact C-N 3.28Å; F678-I681 WeakPolarHBondContact O-CG2 3.41Å |
| 679 | M | 87.4 | Confident | 91 | Very high | 84 Ų | 84 | 57.2 Ų | 57.2 | 41% | 0.414 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -83 | -5.5 | 173 | -57.4 | -62.1 | -70.6 | 0 | 0 | 112.5 | H472 D535 I536 D677 I681 | H472-M679 WeakPolarHBondContact CB-O 3.44Å; H472-M679 WeakPolarHBondContact CE1-CE 3.31Å; H472-M679 VanDerWaalsContact ND1-CE 3.32Å; H472-M679 WeakPolarHBondContact ND1-CE 3.42Å; H472-M679 WeakPolarHBondContact NE2-CE 3.43Å; H472-M679 PolarHBondContact NE2-SD 2.98Å; D535-M679 HydrophobicContact CB-CE 4.02Å; D535-M679 HydrophobicContact CB-SD 3.86Å; I536-M679 HydrophobicContact CG2-SD 4.3Å; D677-M679 PolarHBondContact O-N 2.97Å; M679-I681 VanDerWaalsContact C-N 3.33Å |
| 680 | N | 87.9 | Confident | 90.5 | Very high | 79 Ų | 79 | 56.1 Ų | 56.1 | 42% | 0.422 | 29% | 0.288 | S | S | . | . | G | 310 helix | trans | -97.1 | 18.8 | 176.3 | -60.3 | -31.5 | 0 | 0 | 0 | 111.9 | T473 D677 F678 | T473-N680 VanDerWaalsContact OG1-C 3.24Å; T473-N680 PolarHBondContact OG1-O 3.1Å; D677-N680 HydrophobicContact CB-CB 4.4Å; D677-N680 WeakPolarHBondContact O-CA 3.29Å; D677-N680 WeakPolarHBondContact O-CB 3.43Å; D677-N680 PolarHBondContact O-N 2.92Å; D677-N680 PolarHBondContact OD1-ND2 3.08Å; D677-N680 VanDerWaalsContact OD1-ND2 3.07Å; F678-N680 VanDerWaalsContact C-N 3.28Å |
| 681 | I | 84.6 | Confident | 90 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 31% | 0.314 | C | S | . | . | trans | -137.3 | 0 | -179.6 | -160.5 | 165.5 | 0 | 0 | 0 | 115 | R467 F476 A552 R554 L603 Y671 V673 F678 M679 | R467-I681 PolarHBondContact NH1-O 2.85Å; R467-I681 PolarHBondContact NH1-OXT 2.9Å; R467-I681 PolarHBondContact NH2-OXT 3.45Å; F476-I681 HydrophobicContact CD2-CG1 4.47Å; F476-I681 VanDerWaalsContact CD2-OXT 3.28Å; F476-I681 WeakPolarHBondContact CD2-OXT 3.42Å; F476-I681 HydrophobicContact CE2-CG1 4.17Å; A552-I681 HydrophobicContact CB-CD1 4.15Å; A552-I681 HydrophobicContact CB-CG2 3.9Å; R554-I681 HydrophobicContact CB-CD1 3.84Å; R554-I681 HydrophobicContact CB-CG1 4.27Å; L603-I681 HydrophobicContact CD1-CD1 3.78Å; L603-I681 HydrophobicContact CD1-CG1 3.99Å; Y671-I681 HydrophobicContact CD1-CD1 4.01Å; Y671-I681 HydrophobicContact CD1-CG1 4.3Å; Y671-I681 HydrophobicContact CE1-CD1 4.44Å; Y671-I681 HydrophobicContact CE1-CG1 4.46Å; V673-I681 HydrophobicContact CG2-CB 3.83Å; V673-I681 HydrophobicContact CG2-CD1 4.02Å; V673-I681 HydrophobicContact CG2-CG2 3.76Å; F678-I681 WeakPolarHBondContact O-CG2 3.41Å; M679-I681 VanDerWaalsContact C-N 3.33Å |
Retrieved 681 of 681 residues in 976.2 ms
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