| 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 | 71.3 | Confident | 91 | Very high | 248 Ų | 248 | 151.6 Ų | 151.6 | 100% | 1.222 | 72% | 0.722 | S | S | * | * | 0 | 135.1 | 0 | -69.4 | -176.5 | -178.4 | 0 | 0 | 109.2 | |||||
| 2 | T | 88.1 | Confident | 91.4 | Very high | 137 Ų | 137 | 152.2 Ų | 152.2 | 84% | 0.84 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 152.6 | 177.1 | -50.4 | 0 | 0 | 0 | 0 | 111 | K4 | T2-K4 PolarHBondContact O-N 3.24Š|
| 3 | R | 90.4 | Very high | 91.7 | Very high | 225 Ų | 225 | 147.8 Ų | 147.8 | 85% | 0.849 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 126.3 | 175.3 | -173.4 | 179.3 | -178.3 | -174.3 | -0.1 | 110.3 | ||
| 4 | K | 92.4 | Very high | 91.9 | Very high | 188 Ų | 188 | 142.7 Ų | 142.7 | 82% | 0.817 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -84.3 | 142.3 | 172.1 | -66.1 | -176.2 | 179.3 | 179.9 | 0 | 110.5 | T2 | T2-K4 PolarHBondContact O-N 3.24Š|
| 5 | K | 93.5 | Very high | 92.2 | Very high | 216 Ų | 216 | 143.5 Ų | 143.5 | 94% | 0.939 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 137.7 | 167.4 | -172.9 | 177 | -179.7 | -178.4 | 0 | 108.3 | ||
| 6 | M | 91.4 | Very high | 92.3 | Very high | 87 Ų | 87 | 137.4 Ų | 137.4 | 43% | 0.429 | 67% | 0.665 | S | S | . | * | trans | -129.8 | 143.5 | -179.6 | 53.3 | -176.4 | -52.6 | 0 | 0 | 109.2 | I11 R24 | M6-I11 HydrophobicContact CE-CD1 3.78Å; M6-I11 HydrophobicContact CE-CG1 4.13Å; M6-R24 PolarHBondContact SD-NH2 3.49Å; M6-R24 VanDerWaalsContact SD-NH2 3.41Å | ||
| 7 | E | 95.5 | Very high | 92.5 | Very high | 133 Ų | 133 | 134.9 Ų | 134.9 | 62% | 0.621 | 65% | 0.647 | S | S | * | * | trans | -67.2 | 149.6 | 178.4 | -66.5 | 177 | 174 | 0 | 0 | 111.3 | K9 | E7-K9 VanDerWaalsContact C-N 3.28Å; E7-K9 HydrophobicContact CB-CD 4.27Å; E7-K9 HydrophobicContact CB-CG 4.21Å; E7-K9 PolarHBondContact O-N 3.05Å; E7-K9 VanDerWaalsContact O-N 3.08Å; E7-K9 WeakPolarHBondContact OE2-CD 3.41Å; E7-K9 WeakPolarHBondContact OE2-CE 3.21Å; E7-K9 IonicContact OE2-NZ 3.73Å; E7-K9 PolarHBondContact OE2-NZ 3.44Å | ||
| 8 | M | 95.2 | Very high | 92.6 | Very high | 170 Ų | 170 | 131.1 Ų | 131.1 | 84% | 0.837 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -85 | 72.9 | 176.1 | -70.8 | -62.5 | -69.3 | 0 | 0 | 110 | ||
| 9 | K | 95.6 | Very high | 92.7 | Very high | 129 Ų | 129 | 128.2 Ų | 128.2 | 56% | 0.561 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -140.2 | 165.6 | 174.7 | 68 | -175.1 | -173.6 | -166.3 | 0 | 109.9 | E7 I11 | E7-K9 VanDerWaalsContact C-N 3.28Å; E7-K9 HydrophobicContact CB-CD 4.27Å; E7-K9 HydrophobicContact CB-CG 4.21Å; E7-K9 PolarHBondContact O-N 3.05Å; E7-K9 VanDerWaalsContact O-N 3.08Å; E7-K9 WeakPolarHBondContact OE2-CD 3.41Å; E7-K9 WeakPolarHBondContact OE2-CE 3.21Å; E7-K9 IonicContact OE2-NZ 3.73Å; E7-K9 PolarHBondContact OE2-NZ 3.44Å; K9-I11 PolarHBondContact O-N 3.19Å |
| 10 | P | 93.4 | Very high | 92.8 | Very high | 95 Ų | 95 | 122.8 Ų | 122.8 | 62% | 0.617 | 60% | 0.596 | S | S | * | * | trans | -50.7 | 138.4 | 172 | -27.5 | 36.5 | 0 | 0 | 0 | 111.9 | ||||
| 11 | I | 94.5 | Very high | 93 | Very high | 40 Ų | 40 | 119 Ų | 119 | 21% | 0.205 | 58% | 0.576 | C | S | . | * | trans | -84.8 | 117.4 | 176 | -59.2 | 170.5 | 0 | 0 | 0 | 107.6 | M6 K9 A16 R17 C20 | M6-I11 HydrophobicContact CE-CD1 3.78Å; M6-I11 HydrophobicContact CE-CG1 4.13Å; K9-I11 PolarHBondContact O-N 3.19Å; I11-A16 HydrophobicContact CG2-CB 3.89Å; I11-R17 HydrophobicContact CB-CB 4.06Å; I11-R17 HydrophobicContact CG2-CB 4.08Å; I11-C20 HydrophobicContact CD1-CB 3.45Å; I11-C20 VanDerWaalsContact CD1-CB 3.45Å; I11-C20 WeakPolarHBondContact CD1-SG 3.24Å | ||
| 12 | E | 95.6 | Very high | 94.1 | Very high | 158 Ų | 158 | 109.5 Ų | 109.5 | 74% | 0.738 | 54% | 0.535 | S | S | * | . | trans | -72.9 | -39 | -176 | -56.4 | -56.5 | 157.5 | 0 | 0 | 113.1 | E14 | E12-E14 PolarHBondContact O-N 3.1Š| ||
| 13 | N | 94.8 | Very high | 94.5 | Very high | 95 Ų | 95 | 110 Ų | 110 | 51% | 0.508 | 53% | 0.525 | S | S | . | . | S | Bend | trans | -74.5 | 120.3 | 178.3 | 179.3 | -26.6 | 0 | 0 | 0 | 110.5 | E15 A16 R17 | N13-E15 PolarHBondContact O-N 3.46Å; N13-E15 PolarHBondContact OD1-N 3.33Å; N13-A16 HydrophobicContact CB-CB 4.01Å; N13-A16 PolarHBondContact O-N 3.21Å; N13-A16 PolarHBondContact OD1-N 2.73Å; N13-R17 VanDerWaalsContact O-CB 3.32Å; N13-R17 WeakPolarHBondContact O-CB 3.39Å; N13-R17 PolarHBondContact O-N 3.17Å |
| 14 | E | 95.4 | Very high | 94.8 | Very high | 77 Ų | 77 | 104.9 Ų | 104.9 | 36% | 0.36 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.2 | -44.1 | -176.8 | 178.7 | 57.8 | -169.9 | 0 | 0 | 113.6 | E12 A16 R17 Q18 | E12-E14 PolarHBondContact O-N 3.1Å; E14-A16 PolarHBondContact O-N 2.6Å; E14-R17 WeakPolarHBondContact O-CB 3.34Å; E14-R17 PolarHBondContact O-N 3Å; E14-R17 IonicContact OE2-CZ 3.71Å; E14-R17 IonicContact OE2-NE 3.07Å; E14-R17 PolarHBondContact OE2-NE 3.46Å; E14-R17 IonicContact OE2-NH2 2.81Å; E14-R17 PolarHBondContact OE2-NH2 3.21Å; E14-Q18 HydrophobicContact CG-CG 4.47Å; E14-Q18 WeakPolarHBondContact O-CG 3.2Å; E14-Q18 PolarHBondContact O-N 3.23Å; E14-Q18 WeakPolarHBondContact OE1-CG 3.3Å; E14-Q18 PolarHBondContact OE1-NE2 2.8Å |
| 15 | E | 95.8 | Very high | 95.1 | Very high | 154 Ų | 154 | 98.4 Ų | 98.4 | 72% | 0.72 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -64.1 | -44.6 | 179.4 | -63 | -177.9 | 173.7 | 0 | 0 | 110.8 | N13 R17 Q18 V19 | N13-E15 PolarHBondContact O-N 3.46Å; N13-E15 PolarHBondContact OD1-N 3.33Å; E15-R17 VanDerWaalsContact C-N 3.29Å; E15-R17 PolarHBondContact O-N 3.45Å; E15-Q18 PolarHBondContact O-N 2.95Å; E15-V19 VanDerWaalsContact O-CG2 3.32Å; E15-V19 WeakPolarHBondContact O-CG2 3.35Å; E15-V19 PolarHBondContact O-N 3.28Å |
| 16 | A | 94.3 | Very high | 95.2 | Very high | 46 Ų | 46 | 94.9 Ų | 94.9 | 38% | 0.38 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -63.7 | -37.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | I11 N13 E14 C20 | I11-A16 HydrophobicContact CG2-CB 3.89Å; N13-A16 HydrophobicContact CB-CB 4.01Å; N13-A16 PolarHBondContact O-N 3.21Å; N13-A16 PolarHBondContact OD1-N 2.73Å; E14-A16 PolarHBondContact O-N 2.6Å; A16-C20 WeakPolarHBondContact O-CB 3.43Å; A16-C20 PolarHBondContact O-N 3.16Å |
| 17 | R | 94.7 | Very high | 95.5 | Very high | 96 Ų | 96 | 92.4 Ų | 92.4 | 36% | 0.362 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -64.7 | -47 | 175.9 | -178.3 | 165.1 | 63.8 | -176.7 | 7.7 | 111.5 | I11 N13 E14 E15 C20 F21 | I11-R17 HydrophobicContact CB-CB 4.06Å; I11-R17 HydrophobicContact CG2-CB 4.08Å; N13-R17 VanDerWaalsContact O-CB 3.32Å; N13-R17 WeakPolarHBondContact O-CB 3.39Å; N13-R17 PolarHBondContact O-N 3.17Å; E14-R17 WeakPolarHBondContact O-CB 3.34Å; E14-R17 PolarHBondContact O-N 3Å; E14-R17 IonicContact OE2-CZ 3.71Å; E14-R17 IonicContact OE2-NE 3.07Å; E14-R17 PolarHBondContact OE2-NE 3.46Å; E14-R17 IonicContact OE2-NH2 2.81Å; E14-R17 PolarHBondContact OE2-NH2 3.21Å; E15-R17 VanDerWaalsContact C-N 3.29Å; E15-R17 PolarHBondContact O-N 3.45Å; R17-C20 PolarHBondContact O-N 3.11Å; R17-F21 VanDerWaalsContact O-CB 3.3Å; R17-F21 WeakPolarHBondContact O-CB 3.19Å; R17-F21 PolarHBondContact O-N 3.11Å |
| 18 | Q | 95 | Very high | 95.6 | Very high | 65 Ų | 65 | 88.5 Ų | 88.5 | 30% | 0.304 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -63.6 | -43.9 | 177.9 | -70.4 | -65.7 | -10.6 | 0 | 0 | 112.5 | E14 E15 F21 S22 T50 | E14-Q18 HydrophobicContact CG-CG 4.47Å; E14-Q18 WeakPolarHBondContact O-CG 3.2Å; E14-Q18 PolarHBondContact O-N 3.23Å; E14-Q18 WeakPolarHBondContact OE1-CG 3.3Å; E14-Q18 PolarHBondContact OE1-NE2 2.8Å; E15-Q18 PolarHBondContact O-N 2.95Å; Q18-F21 PolarHBondContact O-N 3.48Å; Q18-S22 WeakPolarHBondContact O-CB 3.46Å; Q18-S22 PolarHBondContact O-N 3.29Å; Q18-S22 PolarHBondContact O-OG 3.01Å; Q18-T50 PolarHBondContact NE2-OG1 3.4Å |
| 19 | V | 94.4 | Very high | 95.8 | Very high | 76 Ų | 76 | 82.2 Ų | 82.2 | 46% | 0.461 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -65.3 | -42.7 | 176.1 | 173.1 | 0 | 0 | 0 | 0 | 110.8 | E15 S22 K23 | E15-V19 VanDerWaalsContact O-CG2 3.32Å; E15-V19 WeakPolarHBondContact O-CG2 3.35Å; E15-V19 PolarHBondContact O-N 3.28Å; V19-S22 PolarHBondContact O-N 3.06Å; V19-K23 HydrophobicContact CG1-CD 4.11Å; V19-K23 WeakPolarHBondContact O-CG 3.23Å; V19-K23 PolarHBondContact O-N 2.77Å |
| 20 | C | 95.1 | Very high | 95.9 | Very high | 21 Ų | 21 | 82.5 Ų | 82.5 | 14% | 0.142 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -64.3 | -45.5 | 177.7 | -176.3 | 0 | 0 | 0 | 0 | 111.6 | I11 A16 R17 S22 K23 R24 | I11-C20 HydrophobicContact CD1-CB 3.45Å; I11-C20 VanDerWaalsContact CD1-CB 3.45Å; I11-C20 WeakPolarHBondContact CD1-SG 3.24Å; A16-C20 WeakPolarHBondContact O-CB 3.43Å; A16-C20 PolarHBondContact O-N 3.16Å; R17-C20 PolarHBondContact O-N 3.11Å; C20-S22 PolarHBondContact O-N 3.34Å; C20-K23 PolarHBondContact O-N 3.36Å; C20-R24 VanDerWaalsContact O-CB 3.28Å; C20-R24 WeakPolarHBondContact O-CB 3.36Å; C20-R24 WeakPolarHBondContact O-CG 3.31Å; C20-R24 PolarHBondContact O-N 2.81Å; C20-R24 PolarHBondContact SG-NE 3.11Å |
| 21 | F | 96.1 | Very high | 96.1 | Very high | 42 Ų | 42 | 83.7 Ų | 83.7 | 18% | 0.184 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -54.9 | -52 | 174.5 | 176.9 | -97.3 | 0 | 0 | 0 | 111.2 | R17 Q18 K23 R24 R25 V47 F48 Y55 | R17-F21 VanDerWaalsContact O-CB 3.3Å; R17-F21 WeakPolarHBondContact O-CB 3.19Å; R17-F21 PolarHBondContact O-N 3.11Å; Q18-F21 PolarHBondContact O-N 3.48Å; F21-K23 PolarHBondContact O-N 3.44Å; F21-R24 PolarHBondContact O-N 3.06Å; F21-R25 WeakPolarHBondContact O-CB 3.39Å; F21-R25 PolarHBondContact O-N 2.85Å; F21-V47 HydrophobicContact CE2-CG1 3.55Å; F21-V47 HydrophobicContact CZ-CG1 4.01Å; F21-F48 VanDerWaalsContact CE2-O 3.28Å; F21-F48 WeakPolarHBondContact CE2-O 3.42Å; F21-Y55 HydrophobicContact CE1-CD2 4.05Å; F21-Y55 AromaticContact CE1-CE2 3.78Å; F21-Y55 HydrophobicContact CE1-CE2 3.78Å; F21-Y55 AromaticContact CZ-CD2 3.86Å; F21-Y55 HydrophobicContact CZ-CD2 3.86Å; F21-Y55 AromaticContact CZ-CE2 3.95Å; F21-Y55 HydrophobicContact CZ-CE2 3.95Å |
| 22 | S | 96.1 | Very high | 96.2 | Very high | 50 Ų | 50 | 82 Ų | 82 | 35% | 0.35 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -58.6 | -47 | -178.5 | -63 | 0 | 0 | 0 | 0 | 112.2 | Q18 V19 C20 Q26 | Q18-S22 WeakPolarHBondContact O-CB 3.46Å; Q18-S22 PolarHBondContact O-N 3.29Å; Q18-S22 PolarHBondContact O-OG 3.01Å; V19-S22 PolarHBondContact O-N 3.06Å; C20-S22 PolarHBondContact O-N 3.34Å; S22-Q26 WeakPolarHBondContact O-CB 3.47Å; S22-Q26 PolarHBondContact O-N 3.26Å; S22-Q26 VanDerWaalsContact O-N 3.16Å |
| 23 | K | 96 | Very high | 96.2 | Very high | 147 Ų | 147 | 76.4 Ų | 76.4 | 64% | 0.639 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -70 | -43.8 | 179.8 | -70.4 | -179.4 | 178.2 | 179.8 | 0 | 112.5 | V19 C20 F21 Q26 G27 | V19-K23 HydrophobicContact CG1-CD 4.11Å; V19-K23 WeakPolarHBondContact O-CG 3.23Å; V19-K23 PolarHBondContact O-N 2.77Å; C20-K23 PolarHBondContact O-N 3.36Å; F21-K23 PolarHBondContact O-N 3.44Å; K23-Q26 PolarHBondContact O-N 3.06Å; K23-G27 PolarHBondContact O-N 2.9Å |
| 24 | R | 96.4 | Very high | 96.3 | Very high | 117 Ų | 117 | 74.8 Ų | 74.8 | 44% | 0.442 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -67.3 | -42.5 | 179.8 | -72.8 | -169.7 | -172.8 | -167.5 | 5.9 | 111.5 | M6 C20 F21 Q26 G27 L28 | M6-R24 PolarHBondContact SD-NH2 3.49Å; M6-R24 VanDerWaalsContact SD-NH2 3.41Å; C20-R24 VanDerWaalsContact O-CB 3.28Å; C20-R24 WeakPolarHBondContact O-CB 3.36Å; C20-R24 WeakPolarHBondContact O-CG 3.31Å; C20-R24 PolarHBondContact O-N 2.81Å; C20-R24 PolarHBondContact SG-NE 3.11Å; F21-R24 PolarHBondContact O-N 3.06Å; R24-Q26 PolarHBondContact O-N 2.92Å; R24-G27 PolarHBondContact O-N 3.32Å; R24-L28 WeakPolarHBondContact O-CB 3.29Å; R24-L28 PolarHBondContact O-N 3.01Å |
| 25 | R | 97.6 | Very high | 96.4 | Very high | 52 Ų | 52 | 74.9 Ų | 74.9 | 20% | 0.196 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -57.8 | -48.1 | 173.8 | -177.4 | -167.2 | 66.5 | -153.8 | -4.5 | 111.3 | F21 G27 L28 F29 Y55 | F21-R25 WeakPolarHBondContact O-CB 3.39Å; F21-R25 PolarHBondContact O-N 2.85Å; R25-G27 PolarHBondContact O-N 3.41Å; R25-L28 WeakPolarHBondContact O-CB 3.15Å; R25-L28 PolarHBondContact O-N 3.12Å; R25-F29 HydrophobicContact CG-CD2 4.36Å; R25-F29 HydrophobicContact CG-CE1 4.14Å; R25-F29 HydrophobicContact CG-CE2 3.89Å; R25-F29 HydrophobicContact CG-CZ 3.76Å; R25-F29 WeakPolarHBondContact O-CG 3.43Å; R25-F29 PolarHBondContact O-N 2.81Å; R25-Y55 VanDerWaalsContact CD-CG 3.49Å; R25-Y55 VanDerWaalsContact NH1-CD1 3.29Å; R25-Y55 VanDerWaalsContact NH1-CE2 3.26Å |
| 26 | Q | 97.5 | Very high | 96.3 | Very high | 142 Ų | 142 | 67.7 Ų | 67.7 | 66% | 0.664 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -62 | -44.1 | 177.6 | -172.9 | -179.6 | 25.6 | 0 | 0 | 112 | S22 K23 R24 L28 F29 K30 | S22-Q26 WeakPolarHBondContact O-CB 3.47Å; S22-Q26 PolarHBondContact O-N 3.26Å; S22-Q26 VanDerWaalsContact O-N 3.16Å; K23-Q26 PolarHBondContact O-N 3.06Å; R24-Q26 PolarHBondContact O-N 2.92Å; Q26-L28 VanDerWaalsContact C-N 3.35Å; Q26-L28 PolarHBondContact O-N 3.22Å; Q26-F29 PolarHBondContact O-N 3.06Å; Q26-K30 WeakPolarHBondContact O-CB 3.48Å; Q26-K30 PolarHBondContact O-N 2.96Å |
| 27 | G | 97.6 | Very high | 96.4 | Very high | 35 Ų | 35 | 71.6 Ų | 71.6 | 36% | 0.361 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -61.8 | -40.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113 | K23 R24 R25 K30 K31 | K23-G27 PolarHBondContact O-N 2.9Å; R24-G27 PolarHBondContact O-N 3.32Å; R25-G27 PolarHBondContact O-N 3.41Å; G27-K30 PolarHBondContact O-N 3.28Å; G27-K31 WeakPolarHBondContact O-CG 3.48Å; G27-K31 PolarHBondContact O-N 2.92Å |
| 28 | L | 97.6 | Very high | 96.5 | Very high | 51 Ų | 51 | 73.6 Ų | 73.6 | 27% | 0.267 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -61.6 | -49.4 | 175.9 | -178.7 | 63.5 | 0 | 0 | 0 | 111.3 | R24 R25 Q26 K30 K31 A32 S45 V47 L244 | R24-L28 WeakPolarHBondContact O-CB 3.29Å; R24-L28 PolarHBondContact O-N 3.01Å; R25-L28 WeakPolarHBondContact O-CB 3.15Å; R25-L28 PolarHBondContact O-N 3.12Å; Q26-L28 VanDerWaalsContact C-N 3.35Å; Q26-L28 PolarHBondContact O-N 3.22Å; L28-K30 VanDerWaalsContact C-N 3.33Å; L28-K30 PolarHBondContact O-N 3.17Å; L28-K31 PolarHBondContact O-N 2.56Å; L28-A32 WeakPolarHBondContact O-CB 3.43Å; L28-A32 PolarHBondContact O-N 3.38Å; L28-S45 WeakPolarHBondContact CD2-OG 3.4Å; L28-V47 HydrophobicContact CD2-CG2 3.72Å; L28-L244 HydrophobicContact CD1-CD1 3.69Å |
| 29 | F | 97.6 | Very high | 96.5 | Very high | 38 Ų | 38 | 75 Ų | 75 | 17% | 0.167 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -65.1 | -38.7 | -179.9 | -68.3 | -0.9 | 0 | 0 | 0 | 111.9 | R25 Q26 K31 A32 S33 V47 F57 | R25-F29 HydrophobicContact CG-CD2 4.36Å; R25-F29 HydrophobicContact CG-CE1 4.14Å; R25-F29 HydrophobicContact CG-CE2 3.89Å; R25-F29 HydrophobicContact CG-CZ 3.76Å; R25-F29 WeakPolarHBondContact O-CG 3.43Å; R25-F29 PolarHBondContact O-N 2.81Å; Q26-F29 PolarHBondContact O-N 3.06Å; F29-K31 VanDerWaalsContact C-N 3.33Å; F29-K31 PolarHBondContact O-N 3.26Å; F29-A32 PolarHBondContact O-N 3.39Å; F29-S33 WeakPolarHBondContact O-CB 3.27Å; F29-S33 PolarHBondContact O-N 2.96Å; F29-V47 HydrophobicContact CE1-CG2 4.25Å; F29-F57 HydrophobicContact CB-CB 4.24Å; F29-F57 HydrophobicContact CB-CG 4.49Å; F29-F57 HydrophobicContact CD1-CB 3.71Å; F29-F57 HydrophobicContact CD2-CB 4.22Å; F29-F57 HydrophobicContact CE1-CB 4.05Å; F29-F57 HydrophobicContact CG-CB 3.81Å; F29-F57 HydrophobicContact CZ-CB 4.44Å |
| 30 | K | 97.7 | Very high | 96.4 | Very high | 135 Ų | 135 | 74.6 Ų | 74.6 | 59% | 0.587 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -59.2 | -45.9 | 172.9 | -170.3 | -174.7 | -176.6 | -164.8 | 0 | 111.2 | Q26 G27 L28 S33 E34 | Q26-K30 WeakPolarHBondContact O-CB 3.48Å; Q26-K30 PolarHBondContact O-N 2.96Å; G27-K30 PolarHBondContact O-N 3.28Å; L28-K30 VanDerWaalsContact C-N 3.33Å; L28-K30 PolarHBondContact O-N 3.17Å; K30-S33 PolarHBondContact O-N 3.35Å; K30-E34 WeakPolarHBondContact CE-OE1 3.33Å; K30-E34 IonicContact NZ-OE1 3.67Å; K30-E34 WeakPolarHBondContact O-CG 3.3Å; K30-E34 PolarHBondContact O-N 3.44Å |
| 31 | K | 97.5 | Very high | 96.3 | Very high | 120 Ų | 120 | 74.5 Ų | 74.5 | 52% | 0.522 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -67 | -41 | 179.2 | -71.7 | -72.3 | 164.8 | -156.6 | 0 | 112.5 | G27 L28 F29 S33 E34 L35 | G27-K31 WeakPolarHBondContact O-CG 3.48Å; G27-K31 PolarHBondContact O-N 2.92Å; L28-K31 PolarHBondContact O-N 2.56Å; F29-K31 VanDerWaalsContact C-N 3.33Å; F29-K31 PolarHBondContact O-N 3.26Å; K31-S33 VanDerWaalsContact C-N 3.3Å; K31-S33 PolarHBondContact O-N 3.45Å; K31-E34 WeakPolarHBondContact CD-OE2 3.27Å; K31-E34 WeakPolarHBondContact CE-OE2 3.43Å; K31-E34 IonicContact NZ-OE2 2.71Å; K31-E34 PolarHBondContact NZ-OE2 3.12Å; K31-E34 PolarHBondContact O-N 2.9Å; K31-L35 WeakPolarHBondContact O-CB 3.25Å; K31-L35 VanDerWaalsContact O-CG 3.27Å; K31-L35 WeakPolarHBondContact O-CG 3.5Å; K31-L35 PolarHBondContact O-N 3.33Å |
| 32 | A | 96.5 | Very high | 96.2 | Very high | 4 Ų | 4 | 74 Ų | 74 | 3% | 0.033 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -61 | -40.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L28 F29 L35 S36 V43 F57 | L28-A32 WeakPolarHBondContact O-CB 3.43Å; L28-A32 PolarHBondContact O-N 3.38Å; F29-A32 PolarHBondContact O-N 3.39Å; A32-L35 PolarHBondContact O-N 2.89Å; A32-S36 PolarHBondContact O-N 2.89Å; A32-V43 HydrophobicContact CB-CG1 3.85Å; A32-F57 HydrophobicContact CB-CD1 3.43Å; A32-F57 VanDerWaalsContact CB-CD1 3.43Å; A32-F57 HydrophobicContact CB-CE1 3.62Å; A32-F57 HydrophobicContact CB-CG 4.33Å |
| 33 | S | 96.7 | Very high | 96.1 | Very high | 41 Ų | 41 | 71.7 Ų | 71.7 | 29% | 0.287 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -67.8 | -42.8 | 174.5 | 179.3 | 0 | 0 | 0 | 0 | 113.1 | F29 K30 K31 L35 S36 I37 F57 | F29-S33 WeakPolarHBondContact O-CB 3.27Å; F29-S33 PolarHBondContact O-N 2.96Å; K30-S33 PolarHBondContact O-N 3.35Å; K31-S33 VanDerWaalsContact C-N 3.3Å; K31-S33 PolarHBondContact O-N 3.45Å; S33-L35 VanDerWaalsContact C-N 3.3Å; S33-L35 PolarHBondContact O-N 2.94Å; S33-S36 PolarHBondContact O-N 3.4Å; S33-S36 PolarHBondContact O-OG 3.45Å; S33-I37 WeakPolarHBondContact O-CD1 3.31Å; S33-I37 VanDerWaalsContact O-CG1 3.27Å; S33-I37 WeakPolarHBondContact O-CG1 3.26Å; S33-I37 PolarHBondContact O-N 3.45Å; S33-I37 VanDerWaalsContact O-N 3.12Å; S33-F57 VanDerWaalsContact CA-CZ 3.42Å |
| 34 | E | 97.2 | Very high | 96 | Very high | 61 Ų | 61 | 64.9 Ų | 64.9 | 29% | 0.285 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -59.5 | -43.8 | 173.6 | -74.1 | 171.2 | -170.1 | 0 | 0 | 110.5 | K30 K31 I37 L38 | K30-E34 WeakPolarHBondContact CE-OE1 3.33Å; K30-E34 IonicContact NZ-OE1 3.67Å; K30-E34 WeakPolarHBondContact O-CG 3.3Å; K30-E34 PolarHBondContact O-N 3.44Å; K31-E34 WeakPolarHBondContact CD-OE2 3.27Å; K31-E34 WeakPolarHBondContact CE-OE2 3.43Å; K31-E34 IonicContact NZ-OE2 2.71Å; K31-E34 PolarHBondContact NZ-OE2 3.12Å; K31-E34 PolarHBondContact O-N 2.9Å; E34-I37 PolarHBondContact O-N 2.83Å; E34-L38 WeakPolarHBondContact O-CB 3.36Å; E34-L38 VanDerWaalsContact O-CG 3.23Å; E34-L38 WeakPolarHBondContact O-CG 3.35Å; E34-L38 PolarHBondContact O-N 3.36Å |
| 35 | L | 96.5 | Very high | 95.9 | Very high | 80 Ų | 80 | 59.3 Ų | 59.3 | 42% | 0.419 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -64.6 | -42.1 | 178.2 | -74.2 | 172.9 | 0 | 0 | 0 | 112.9 | K31 A32 S33 I37 C39 | K31-L35 WeakPolarHBondContact O-CB 3.25Å; K31-L35 VanDerWaalsContact O-CG 3.27Å; K31-L35 WeakPolarHBondContact O-CG 3.5Å; K31-L35 PolarHBondContact O-N 3.33Å; A32-L35 PolarHBondContact O-N 2.89Å; S33-L35 VanDerWaalsContact C-N 3.3Å; S33-L35 PolarHBondContact O-N 2.94Å; L35-I37 VanDerWaalsContact C-N 3.29Å; L35-I37 PolarHBondContact O-N 2.71Å; L35-C39 PolarHBondContact O-N 2.99Å; L35-C39 VanDerWaalsContact O-N 3.11Å |
| 36 | S | 95.2 | Very high | 95.8 | Very high | 3 Ų | 3 | 59.1 Ų | 59.1 | 2% | 0.021 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -63.7 | -38.2 | 178.4 | 69.7 | 0 | 0 | 0 | 0 | 111.5 | A32 S33 G40 A41 | A32-S36 PolarHBondContact O-N 2.89Å; S33-S36 PolarHBondContact O-N 3.4Å; S33-S36 PolarHBondContact O-OG 3.45Å; S36-G40 CarbonylContact O-C 3.59Å; S36-G40 WeakPolarHBondContact O-CA 3.4Å; S36-G40 PolarHBondContact O-N 2.93Å; S36-A41 WeakPolarHBondContact CB-O 3.43Å; S36-A41 PolarHBondContact O-N 2.97Å |
| 37 | I | 95.5 | Very high | 95.7 | Very high | 127 Ų | 127 | 53.3 Ų | 53.3 | 65% | 0.651 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -71.5 | -49.1 | 178.1 | -66.3 | 165.4 | 0 | 0 | 0 | 111.4 | S33 E34 L35 C39 | S33-I37 WeakPolarHBondContact O-CD1 3.31Å; S33-I37 VanDerWaalsContact O-CG1 3.27Å; S33-I37 WeakPolarHBondContact O-CG1 3.26Å; S33-I37 PolarHBondContact O-N 3.45Å; S33-I37 VanDerWaalsContact O-N 3.12Å; E34-I37 PolarHBondContact O-N 2.83Å; L35-I37 VanDerWaalsContact C-N 3.29Å; L35-I37 PolarHBondContact O-N 2.71Å; I37-C39 PolarHBondContact O-N 3.45Å |
| 38 | L | 97.1 | Very high | 95.6 | Very high | 139 Ų | 139 | 57.8 Ų | 57.8 | 73% | 0.728 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -68.4 | -36.7 | -173.2 | -72.1 | 172.8 | 0 | 0 | 0 | 113 | E34 | E34-L38 WeakPolarHBondContact O-CB 3.36Å; E34-L38 VanDerWaalsContact O-CG 3.23Å; E34-L38 WeakPolarHBondContact O-CG 3.35Å; E34-L38 PolarHBondContact O-N 3.36Å |
| 39 | C | 95.5 | Very high | 95.4 | Very high | 95 Ų | 95 | 55.8 Ų | 55.8 | 64% | 0.642 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -107.1 | -2.2 | -174.5 | -60.7 | 0 | 0 | 0 | 0 | 113.4 | L35 I37 A41 | L35-C39 PolarHBondContact O-N 2.99Å; L35-C39 VanDerWaalsContact O-N 3.11Å; I37-C39 PolarHBondContact O-N 3.45Å; C39-A41 HydrophobicContact CB-CB 4.02Å; C39-A41 PolarHBondContact O-N 3.48Å |
| 40 | G | 92.3 | Very high | 95 | Very high | 66 Ų | 66 | 58.3 Ų | 58.3 | 68% | 0.68 | 33% | 0.327 | S | S | * | . | trans | 58 | 26.8 | -168.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | S36 | S36-G40 CarbonylContact O-C 3.59Å; S36-G40 WeakPolarHBondContact O-CA 3.4Å; S36-G40 PolarHBondContact O-N 2.93Å | ||
| 41 | A | 91.9 | Very high | 94.6 | Very high | 19 Ų | 19 | 55.9 Ų | 55.9 | 16% | 0.157 | 33% | 0.326 | C | S | . | . | trans | -84 | 142 | -170.7 | 0 | 0 | 0 | 0 | 0 | 112 | S36 C39 V43 | S36-A41 WeakPolarHBondContact CB-O 3.43Å; S36-A41 PolarHBondContact O-N 2.97Å; C39-A41 HydrophobicContact CB-CB 4.02Å; C39-A41 PolarHBondContact O-N 3.48Å; A41-V43 HydrophobicContact CB-CG2 3.96Å; A41-V43 PolarHBondContact O-N 3.1Å | ||
| 42 | T | 93.3 | Very high | 94.3 | Very high | 31 Ų | 31 | 53 Ų | 53 | 19% | 0.19 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 112.7 | 165.4 | -53.1 | 0 | 0 | 0 | 0 | 108.7 | H59 V65 R68 | T42-H59 WeakPolarHBondContact CA-O 3.49Å; T42-V65 HydrophobicContact CG2-CB 4.37Å; T42-V65 HydrophobicContact CG2-CG1 4.44Å; T42-V65 HydrophobicContact CG2-CG2 3.63Å; T42-R68 PolarHBondContact OG1-NH1 3.08Å; T42-R68 VanDerWaalsContact OG1-NH1 3.11Å |
| 43 | V | 94.4 | Very high | 94.2 | Very high | 2 Ų | 2 | 60.9 Ų | 60.9 | 1% | 0.012 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 134.9 | -174.5 | -177.7 | 0 | 0 | 0 | 0 | 109.6 | A32 A41 G58 H59 | A32-V43 HydrophobicContact CB-CG1 3.85Å; A41-V43 HydrophobicContact CB-CG2 3.96Å; A41-V43 PolarHBondContact O-N 3.1Å; V43-G58 CarbonylContact O-C 3.55Å; V43-G58 VanDerWaalsContact O-CA 3.3Å; V43-G58 WeakPolarHBondContact O-CA 3.49Å; V43-H59 PolarHBondContact N-O 2.95Å; V43-H59 PolarHBondContact O-N 2.84Å |
| 44 | G | 95.1 | Very high | 94.1 | Very high | 4 Ų | 4 | 62.7 Ų | 62.7 | 4% | 0.041 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 138.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112 | F57 I245 | G44-F57 CarbonylContact C-O 3.57Å; G44-F57 WeakPolarHBondContact CA-O 3.33Å; G44-I245 PolarHBondContact N-O 3.32Å; G44-I245 PolarHBondContact O-N 3.47Å |
| 45 | S | 94.2 | Very high | 94 | Very high | 1 Ų | 1 | 63.1 Ų | 63.1 | 1% | 0.007 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 134.9 | 174 | -179.3 | 0 | 0 | 0 | 0 | 110.1 | L28 S56 F57 | L28-S45 WeakPolarHBondContact CD2-OG 3.4Å; S45-S56 CarbonylContact O-C 3.56Å; S45-S56 VanDerWaalsContact O-CA 3.24Å; S45-S56 WeakPolarHBondContact O-CA 3.36Å; S45-F57 PolarHBondContact N-O 3.11Å; S45-F57 PolarHBondContact O-N 3.45Å |
| 46 | V | 95.6 | Very high | 94 | Very high | 47 Ų | 47 | 62.3 Ų | 62.3 | 29% | 0.285 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 132.5 | 174.4 | -174.8 | 0 | 0 | 0 | 0 | 108.5 | F48 Y55 I62 | V46-F48 HydrophobicContact CG1-CE2 3.79Å; V46-F48 HydrophobicContact CG1-CZ 3.83Å; V46-Y55 CarbonylContact C-O 3.59Å; V46-Y55 WeakPolarHBondContact CA-O 3.37Å; V46-I62 HydrophobicContact CG2-CD1 3.8Å; V46-I62 HydrophobicContact CG2-CG1 4.15Å |
| 47 | V | 95.2 | Very high | 94.1 | Very high | 20 Ų | 20 | 64.2 Ų | 64.2 | 12% | 0.121 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 134.2 | -179.8 | -173.5 | 0 | 0 | 0 | 0 | 109.3 | F21 L28 F29 Y55 | F21-V47 HydrophobicContact CE2-CG1 3.55Å; F21-V47 HydrophobicContact CZ-CG1 4.01Å; L28-V47 HydrophobicContact CD2-CG2 3.72Å; F29-V47 HydrophobicContact CE1-CG2 4.25Å; V47-Y55 PolarHBondContact N-O 2.98Å; V47-Y55 PolarHBondContact O-N 3.48Å |
| 48 | F | 95.7 | Very high | 94.1 | Very high | 129 Ų | 129 | 59 Ų | 59 | 57% | 0.566 | 36% | 0.359 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 135.7 | 177.4 | -61.4 | -88.2 | 0 | 0 | 0 | 110.9 | F21 V46 R53 | F21-F48 VanDerWaalsContact CE2-O 3.28Å; F21-F48 WeakPolarHBondContact CE2-O 3.42Å; V46-F48 HydrophobicContact CG1-CE2 3.79Å; V46-F48 HydrophobicContact CG1-CZ 3.83Å; F48-R53 WeakPolarHBondContact CA-O 3.15Å |
| 49 | S | 92.2 | Very high | 94 | Very high | 10 Ų | 10 | 56.4 Ų | 56.4 | 7% | 0.07 | 34% | 0.343 | C | S | . | . | trans | -75.3 | 164.1 | 168.4 | 63 | 0 | 0 | 0 | 0 | 111.1 | S51 G52 R53 | S49-S51 PolarHBondContact O-N 3.17Å; S49-S51 VanDerWaalsContact O-N 3.12Å; S49-S51 PolarHBondContact OG-N 3.02Å; S49-S51 PolarHBondContact OG-OG 2.87Å; S49-G52 PolarHBondContact O-N 3.41Å; S49-R53 PolarHBondContact N-O 3.45Å; S49-R53 WeakPolarHBondContact OG-CB 3.44Å; S49-R53 PolarHBondContact OG-N 3.46Å; S49-R53 PolarHBondContact OG-O 3.45Å | ||
| 50 | T | 89.8 | Confident | 93.9 | Very high | 91 Ų | 91 | 56 Ų | 56 | 56% | 0.558 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -21.6 | 169.3 | 49.5 | 0 | 0 | 0 | 0 | 113.1 | Q18 G52 | Q18-T50 PolarHBondContact NE2-OG1 3.4Å; T50-G52 VanDerWaalsContact C-N 3.33Å |
| 51 | S | 89.8 | Confident | 94 | Very high | 83 Ų | 83 | 54.8 Ų | 54.8 | 58% | 0.58 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | 4.6 | 174.6 | 55.8 | 0 | 0 | 0 | 0 | 114.6 | S49 R53 | S49-S51 PolarHBondContact O-N 3.17Å; S49-S51 VanDerWaalsContact O-N 3.12Å; S49-S51 PolarHBondContact OG-N 3.02Å; S49-S51 PolarHBondContact OG-OG 2.87Å; S51-R53 VanDerWaalsContact C-N 3.3Å; S51-R53 PolarHBondContact O-N 3.35Å |
| 52 | G | 90.4 | Very high | 94.1 | Very high | 60 Ų | 60 | 56 Ų | 56 | 62% | 0.619 | 32% | 0.323 | S | S | * | . | S | Bend | trans | 79 | 6.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | S49 T50 | S49-G52 PolarHBondContact O-N 3.41Å; T50-G52 VanDerWaalsContact C-N 3.33Å |
| 53 | R | 94.3 | Very high | 94.2 | Very high | 170 Ų | 170 | 59.7 Ų | 59.7 | 64% | 0.642 | 34% | 0.342 | S | S | * | . | trans | -78.3 | 126.7 | 175.1 | -67.5 | -177.2 | 138 | -177.3 | -5.4 | 110 | F48 S49 S51 Y55 | F48-R53 WeakPolarHBondContact CA-O 3.15Å; S49-R53 PolarHBondContact N-O 3.45Å; S49-R53 WeakPolarHBondContact OG-CB 3.44Å; S49-R53 PolarHBondContact OG-N 3.46Å; S49-R53 PolarHBondContact OG-O 3.45Å; S51-R53 VanDerWaalsContact C-N 3.3Å; S51-R53 PolarHBondContact O-N 3.35Å; R53-Y55 HydrophobicContact CB-CE2 3.93Å | ||
| 54 | S | 94 | Very high | 94.1 | Very high | 78 Ų | 78 | 63.4 Ų | 63.4 | 55% | 0.545 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 146.2 | 173.2 | 59.7 | 0 | 0 | 0 | 0 | 111.3 | ||
| 55 | Y | 95.9 | Very high | 94.1 | Very high | 70 Ų | 70 | 63.6 Ų | 63.6 | 28% | 0.275 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 133.4 | 171.1 | -59.9 | -89.2 | 0 | 0 | 0 | 107.6 | F21 R25 V46 V47 R53 | F21-Y55 HydrophobicContact CE1-CD2 4.05Å; F21-Y55 AromaticContact CE1-CE2 3.78Å; F21-Y55 HydrophobicContact CE1-CE2 3.78Å; F21-Y55 AromaticContact CZ-CD2 3.86Å; F21-Y55 HydrophobicContact CZ-CD2 3.86Å; F21-Y55 AromaticContact CZ-CE2 3.95Å; F21-Y55 HydrophobicContact CZ-CE2 3.95Å; R25-Y55 VanDerWaalsContact CD-CG 3.49Å; R25-Y55 VanDerWaalsContact NH1-CD1 3.29Å; R25-Y55 VanDerWaalsContact NH1-CE2 3.26Å; V46-Y55 CarbonylContact C-O 3.59Å; V46-Y55 WeakPolarHBondContact CA-O 3.37Å; V47-Y55 PolarHBondContact N-O 2.98Å; V47-Y55 PolarHBondContact O-N 3.48Å; R53-Y55 HydrophobicContact CB-CE2 3.93Å |
| 56 | S | 96.6 | Very high | 94 | Very high | 63 Ų | 63 | 65.4 Ų | 65.4 | 44% | 0.441 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 151.7 | -178.7 | 56.5 | 0 | 0 | 0 | 0 | 112.5 | S45 | S45-S56 CarbonylContact O-C 3.56Å; S45-S56 VanDerWaalsContact O-CA 3.24Å; S45-S56 WeakPolarHBondContact O-CA 3.36Å |
| 57 | F | 96.7 | Very high | 93.9 | Very high | 43 Ų | 43 | 68 Ų | 68 | 19% | 0.189 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 135.5 | 164.6 | 173 | -90.2 | 0 | 0 | 0 | 107.4 | F29 A32 S33 G44 S45 H59 | F29-F57 HydrophobicContact CB-CB 4.24Å; F29-F57 HydrophobicContact CB-CG 4.49Å; F29-F57 HydrophobicContact CD1-CB 3.71Å; F29-F57 HydrophobicContact CD2-CB 4.22Å; F29-F57 HydrophobicContact CE1-CB 4.05Å; F29-F57 HydrophobicContact CG-CB 3.81Å; F29-F57 HydrophobicContact CZ-CB 4.44Å; A32-F57 HydrophobicContact CB-CD1 3.43Å; A32-F57 VanDerWaalsContact CB-CD1 3.43Å; A32-F57 HydrophobicContact CB-CE1 3.62Å; A32-F57 HydrophobicContact CB-CG 4.33Å; S33-F57 VanDerWaalsContact CA-CZ 3.42Å; G44-F57 CarbonylContact C-O 3.57Å; G44-F57 WeakPolarHBondContact CA-O 3.33Å; S45-F57 PolarHBondContact N-O 3.11Å; S45-F57 PolarHBondContact O-N 3.45Å; F57-H59 HydrophobicContact CZ-CB 4.47Å |
| 58 | G | 95.2 | Very high | 93.7 | Very high | 18 Ų | 18 | 72.5 Ų | 72.5 | 19% | 0.186 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 144.8 | 176 | 0 | 0 | 0 | 0 | 0 | 111.1 | V43 | V43-G58 CarbonylContact O-C 3.55Å; V43-G58 VanDerWaalsContact O-CA 3.3Å; V43-G58 WeakPolarHBondContact O-CA 3.49Å |
| 59 | H | 95.6 | Very high | 93.4 | Very high | 85 Ų | 85 | 70 Ų | 70 | 39% | 0.394 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 120.8 | 171.9 | -175.3 | 69.6 | 0 | 0 | 0 | 109.3 | T42 V43 F57 | T42-H59 WeakPolarHBondContact CA-O 3.49Å; V43-H59 PolarHBondContact N-O 2.95Å; V43-H59 PolarHBondContact O-N 2.84Å; F57-H59 HydrophobicContact CZ-CB 4.47Å |
| 60 | P | 93.1 | Very high | 93.4 | Very high | 87 Ų | 87 | 75.1 Ų | 75.1 | 57% | 0.565 | 42% | 0.419 | S | S | * | . | S | Bend | cis | -71.6 | -34.5 | 4.7 | 26.1 | -32.4 | 0 | 0 | 0 | 114.9 | D64 | P60-D64 HydrophobicContact CG-CB 3.93Š|
| 61 | S | 94.8 | Very high | 93.3 | Very high | 39 Ų | 39 | 74.9 Ų | 74.9 | 27% | 0.273 | 42% | 0.421 | S | S | . | . | trans | -145.9 | 163.5 | 166.2 | 78.9 | 0 | 0 | 0 | 0 | 110 | N63 D64 V65 | S61-N63 PolarHBondContact O-N 2.83Å; S61-N63 PolarHBondContact OG-N 2.92Å; S61-D64 VanDerWaalsContact CB-OD2 3.25Å; S61-D64 WeakPolarHBondContact CB-OD2 3.4Å; S61-D64 PolarHBondContact N-OD2 3.17Å; S61-D64 PolarHBondContact O-N 3.43Å; S61-D64 PolarHBondContact OG-N 2.95Å; S61-D64 VanDerWaalsContact OG-N 3.11Å; S61-D64 PolarHBondContact OG-OD2 3.38Å; S61-V65 WeakPolarHBondContact O-CG2 3.44Å; S61-V65 PolarHBondContact O-N 3.13Å | ||
| 62 | I | 94.6 | Very high | 92.9 | Very high | 44 Ų | 44 | 75 Ų | 75 | 23% | 0.226 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -65.2 | -31.7 | 176.9 | -172.4 | 60.8 | 0 | 0 | 0 | 112 | V46 A66 | V46-I62 HydrophobicContact CG2-CD1 3.8Å; V46-I62 HydrophobicContact CG2-CG1 4.15Å; I62-A66 WeakPolarHBondContact O-CB 3.24Å; I62-A66 PolarHBondContact O-N 3.28Å |
| 63 | N | 94.8 | Very high | 92 | Very high | 110 Ų | 110 | 76.2 Ų | 76.2 | 59% | 0.588 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -69.3 | -46.3 | 177.8 | -63.7 | -20.5 | 0 | 0 | 0 | 110.4 | S61 V65 A66 D67 | S61-N63 PolarHBondContact O-N 2.83Å; S61-N63 PolarHBondContact OG-N 2.92Å; N63-V65 VanDerWaalsContact C-N 3.26Å; N63-V65 PolarHBondContact O-N 3.49Å; N63-A66 PolarHBondContact O-N 2.95Å; N63-D67 WeakPolarHBondContact O-CB 3.32Å; N63-D67 VanDerWaalsContact O-CG 3.27Å; N63-D67 PolarHBondContact O-N 3.24Å |
| 64 | D | 93.5 | Very high | 90.4 | Very high | 80 Ų | 80 | 71.6 Ų | 71.6 | 43% | 0.428 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -59 | -39.7 | 176.9 | -60.4 | -50 | 0 | 0 | 0 | 111.7 | P60 S61 R68 | P60-D64 HydrophobicContact CG-CB 3.93Å; S61-D64 VanDerWaalsContact CB-OD2 3.25Å; S61-D64 WeakPolarHBondContact CB-OD2 3.4Å; S61-D64 PolarHBondContact N-OD2 3.17Å; S61-D64 PolarHBondContact O-N 3.43Å; S61-D64 PolarHBondContact OG-N 2.95Å; S61-D64 VanDerWaalsContact OG-N 3.11Å; S61-D64 PolarHBondContact OG-OD2 3.38Å; D64-R68 WeakPolarHBondContact O-CB 3.33Å; D64-R68 PolarHBondContact O-N 2.87Å; D64-R68 VanDerWaalsContact O-N 3.12Å |
| 65 | V | 93.7 | Very high | 88.6 | Confident | 8 Ų | 8 | 74.4 Ų | 74.4 | 5% | 0.048 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -66.3 | -43.8 | 176.5 | -179.8 | 0 | 0 | 0 | 0 | 110.5 | T42 S61 N63 F69 | T42-V65 HydrophobicContact CG2-CB 4.37Å; T42-V65 HydrophobicContact CG2-CG1 4.44Å; T42-V65 HydrophobicContact CG2-CG2 3.63Å; S61-V65 WeakPolarHBondContact O-CG2 3.44Å; S61-V65 PolarHBondContact O-N 3.13Å; N63-V65 VanDerWaalsContact C-N 3.26Å; N63-V65 PolarHBondContact O-N 3.49Å; V65-F69 WeakPolarHBondContact O-CB 3.28Å; V65-F69 PolarHBondContact O-N 2.84Å |
| 66 | A | 93.1 | Very high | 86.7 | Confident | 39 Ų | 39 | 74.9 Ų | 74.9 | 32% | 0.322 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -65.1 | -46.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | I62 N63 R68 F69 L70 | I62-A66 WeakPolarHBondContact O-CB 3.24Å; I62-A66 PolarHBondContact O-N 3.28Å; N63-A66 PolarHBondContact O-N 2.95Å; A66-R68 VanDerWaalsContact C-N 3.33Å; A66-R68 PolarHBondContact O-N 3.32Å; A66-F69 WeakPolarHBondContact O-CB 3.48Å; A66-F69 PolarHBondContact O-N 2.91Å; A66-F69 VanDerWaalsContact O-N 3.11Å; A66-L70 VanDerWaalsContact O-CG 3.31Å; A66-L70 WeakPolarHBondContact O-CG 3.39Å; A66-L70 PolarHBondContact O-N 3.3Å |
| 67 | D | 92.5 | Very high | 84.2 | Confident | 101 Ų | 101 | 75.3 Ų | 75.3 | 54% | 0.54 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -61.6 | -41.2 | 179.4 | -68.1 | -21.9 | 0 | 0 | 0 | 111.4 | N63 L70 S71 | N63-D67 WeakPolarHBondContact O-CB 3.32Å; N63-D67 VanDerWaalsContact O-CG 3.27Å; N63-D67 PolarHBondContact O-N 3.24Å; D67-L70 PolarHBondContact O-N 3.49Å; D67-S71 WeakPolarHBondContact O-CB 3.45Å; D67-S71 PolarHBondContact O-N 2.99Å; D67-S71 PolarHBondContact O-OG 3.3Å |
| 68 | R | 91.2 | Very high | 81.6 | Confident | 115 Ų | 115 | 82.2 Ų | 82.2 | 43% | 0.434 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.3 | -40.5 | 173.8 | -172.3 | -178.1 | 179.6 | -170.9 | -0.4 | 112.2 | T42 D64 A66 S71 S72 | T42-R68 PolarHBondContact OG1-NH1 3.08Å; T42-R68 VanDerWaalsContact OG1-NH1 3.11Å; D64-R68 WeakPolarHBondContact O-CB 3.33Å; D64-R68 PolarHBondContact O-N 2.87Å; D64-R68 VanDerWaalsContact O-N 3.12Å; A66-R68 VanDerWaalsContact C-N 3.33Å; A66-R68 PolarHBondContact O-N 3.32Å; R68-S71 WeakPolarHBondContact CA-OG 3.41Å; R68-S71 PolarHBondContact O-OG 3.49Å; R68-S72 PolarHBondContact O-N 2.86Å |
| 69 | F | 90.5 | Very high | 79.3 | Confident | 77 Ų | 77 | 85.7 Ų | 85.7 | 34% | 0.338 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65.3 | -48.9 | 177.3 | -177.4 | -102.1 | 0 | 0 | 0 | 110.9 | V65 A66 S71 S72 V73 I245 | V65-F69 WeakPolarHBondContact O-CB 3.28Å; V65-F69 PolarHBondContact O-N 2.84Å; A66-F69 WeakPolarHBondContact O-CB 3.48Å; A66-F69 PolarHBondContact O-N 2.91Å; A66-F69 VanDerWaalsContact O-N 3.11Å; F69-S71 PolarHBondContact O-N 3.41Å; F69-S72 PolarHBondContact O-N 3.11Å; F69-S72 VanDerWaalsContact O-N 3.16Å; F69-S72 PolarHBondContact O-OG 2.84Å; F69-V73 HydrophobicContact CD1-CG2 4.41Å; F69-V73 HydrophobicContact CE1-CG2 4.1Å; F69-V73 HydrophobicContact CE2-CG2 4.36Å; F69-V73 HydrophobicContact CZ-CG2 4.08Å; F69-V73 VanDerWaalsContact O-CG2 3.3Å; F69-V73 WeakPolarHBondContact O-CG2 3.49Å; F69-V73 PolarHBondContact O-N 3.45Å; F69-I245 HydrophobicContact CB-CD1 4.5Å; F69-I245 HydrophobicContact CD1-CD1 4.11Å; F69-I245 HydrophobicContact CD2-CD1 3.95Å; F69-I245 HydrophobicContact CD2-CG2 3.9Å; F69-I245 HydrophobicContact CE1-CD1 4.3Å; F69-I245 HydrophobicContact CE2-CD1 4.15Å; F69-I245 HydrophobicContact CE2-CG2 4.36Å; F69-I245 HydrophobicContact CG-CD1 3.92Å; F69-I245 HydrophobicContact CZ-CD1 4.32Å |
| 70 | L | 91.1 | Very high | 76.9 | Confident | 117 Ų | 117 | 87.4 Ų | 87.4 | 61% | 0.613 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -64.5 | -39.2 | -178.7 | -67.6 | 173.8 | 0 | 0 | 0 | 112.6 | A66 D67 S72 V73 | A66-L70 VanDerWaalsContact O-CG 3.31Å; A66-L70 WeakPolarHBondContact O-CG 3.39Å; A66-L70 PolarHBondContact O-N 3.3Å; D67-L70 PolarHBondContact O-N 3.49Å; L70-S72 VanDerWaalsContact C-N 3.31Å; L70-S72 PolarHBondContact O-N 2.96Å; L70-V73 PolarHBondContact O-N 3.42Å |
| 71 | S | 88.5 | Confident | 74.6 | Confident | 85 Ų | 85 | 86.6 Ų | 86.6 | 59% | 0.594 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -66.3 | -30.9 | 174.9 | 53.6 | 0 | 0 | 0 | 0 | 113.1 | D67 R68 F69 | D67-S71 WeakPolarHBondContact O-CB 3.45Å; D67-S71 PolarHBondContact O-N 2.99Å; D67-S71 PolarHBondContact O-OG 3.3Å; R68-S71 WeakPolarHBondContact CA-OG 3.41Å; R68-S71 PolarHBondContact O-OG 3.49Å; F69-S71 PolarHBondContact O-N 3.41Å |
| 72 | S | 80.3 | Confident | 72.1 | Confident | 85 Ų | 85 | 88.3 Ų | 88.3 | 59% | 0.594 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -74.7 | -25.3 | 176 | 78.2 | 0 | 0 | 0 | 0 | 114.1 | R68 F69 L70 A74 | R68-S72 PolarHBondContact O-N 2.86Å; F69-S72 PolarHBondContact O-N 3.11Å; F69-S72 VanDerWaalsContact O-N 3.16Å; F69-S72 PolarHBondContact O-OG 2.84Å; L70-S72 VanDerWaalsContact C-N 3.31Å; L70-S72 PolarHBondContact O-N 2.96Å; S72-A74 VanDerWaalsContact C-N 3.33Å |
| 73 | V | 71.9 | Confident | 69.6 | Low | 87 Ų | 87 | 91.1 Ų | 91.1 | 53% | 0.527 | 62% | 0.62 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86.2 | -4.9 | -175 | 175.6 | 0 | 0 | 0 | 0 | 112.3 | F69 L70 P75 | F69-V73 HydrophobicContact CD1-CG2 4.41Å; F69-V73 HydrophobicContact CE1-CG2 4.1Å; F69-V73 HydrophobicContact CE2-CG2 4.36Å; F69-V73 HydrophobicContact CZ-CG2 4.08Å; F69-V73 VanDerWaalsContact O-CG2 3.3Å; F69-V73 WeakPolarHBondContact O-CG2 3.49Å; F69-V73 PolarHBondContact O-N 3.45Å; L70-V73 PolarHBondContact O-N 3.42Å; V73-P75 WeakPolarHBondContact O-CD 3.43Å |
| 74 | A | 60.9 | Low | 67.2 | Low | 72 Ų | 72 | 91.3 Ų | 91.3 | 60% | 0.595 | 63% | 0.63 | S | S | * | * | trans | -55.1 | 111.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | S72 G76 | S72-A74 VanDerWaalsContact C-N 3.33Å; A74-G76 PolarHBondContact O-N 3.5Å; A74-G76 VanDerWaalsContact O-N 3.1Å | ||
| 75 | P | 56.7 | Low | 64.7 | Low | 137 Ų | 137 | 91.6 Ų | 91.6 | 89% | 0.89 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -82 | 95.8 | -170.8 | 30 | -29.6 | 0 | 0 | 0 | 109.5 | V73 | V73-P75 WeakPolarHBondContact O-CD 3.43Š|
| 76 | G | 55.4 | Low | 62.3 | Low | 80 Ų | 80 | 95.8 Ų | 95.8 | 83% | 0.825 | 67% | 0.673 | S | S | * | * | trans | -175 | 12.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 121.6 | A74 | A74-G76 PolarHBondContact O-N 3.5Å; A74-G76 VanDerWaalsContact O-N 3.1Å | ||
| 77 | G | 44.8 | Very low | 60.3 | Low | 73 Ų | 73 | 103.3 Ų | 103.3 | 75% | 0.753 | 70% | 0.701 | S | S | * | * | trans | -156.1 | 55.2 | -170.8 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 78 | L | 41.7 | Very low | 57.7 | Low | 187 Ų | 187 | 102.2 Ų | 102.2 | 98% | 0.979 | 71% | 0.714 | S | S | * | * | trans | -92.9 | 84.8 | 153.2 | -81.1 | 163.9 | 0 | 0 | 0 | 108.3 | ||||
| 79 | A | 47.2 | Very low | 55.3 | Low | 91 Ų | 91 | 100.5 Ų | 100.5 | 75% | 0.752 | 73% | 0.732 | S | S | * | * | trans | -165 | 125.3 | 163.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 80 | S | 45.9 | Very low | 53.1 | Low | 121 Ų | 121 | 102 Ų | 102 | 85% | 0.846 | 75% | 0.752 | S | S | * | * | trans | 64 | 116.8 | 151.1 | -148.2 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 81 | G | 44.2 | Very low | 50.9 | Low | 70 Ų | 70 | 100.4 Ų | 100.4 | 72% | 0.722 | 76% | 0.764 | S | S | * | * | cis | 73.7 | 107 | 47.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 82 | G | 42.7 | Very low | 49 | Very low | 75 Ų | 75 | 102 Ų | 102 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | trans | 100.5 | 95.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 83 | A | 42.1 | Very low | 47.9 | Very low | 104 Ų | 104 | 103.5 Ų | 103.5 | 86% | 0.86 | 78% | 0.776 | S | S | * | * | 73.4 | 109.8 | 90.2 | 0 | 0 | 0 | 0 | 0 | 113 | |||||
| 84 | S | 42.7 | Very low | 47.1 | Very low | 113 Ų | 113 | 103.5 Ų | 103.5 | 79% | 0.79 | 78% | 0.78 | S | S | * | * | 154.6 | 128.6 | 111 | -158.4 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 85 | A | 41.6 | Very low | 47.3 | Very low | 87 Ų | 87 | 102 Ų | 102 | 72% | 0.719 | 77% | 0.772 | S | S | * | * | trans | 56 | 131.8 | 142.4 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 86 | S | 43.7 | Very low | 47.9 | Very low | 96 Ų | 96 | 98.2 Ų | 98.2 | 67% | 0.671 | 75% | 0.752 | S | S | * | * | cis | 178.6 | 146 | 44.2 | 45 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 87 | H | 50.2 | Low | 48.8 | Very low | 196 Ų | 196 | 98.7 Ų | 98.7 | 91% | 0.907 | 74% | 0.738 | S | S | * | * | trans | 45.6 | 121.5 | 136.8 | -68 | -59.5 | 0 | 0 | 0 | 120.1 | ||||
| 88 | G | 39 | Very low | 50.5 | Low | 79 Ų | 79 | 99.1 Ų | 99.1 | 81% | 0.814 | 73% | 0.726 | S | S | * | * | 145.3 | 84.4 | 123.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 89 | G | 39.8 | Very low | 52.5 | Low | 79 Ų | 79 | 95.4 Ų | 95.4 | 81% | 0.814 | 71% | 0.708 | S | S | * | * | trans | 72 | 164.3 | 147.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 90 | S | 44.4 | Very low | 54.4 | Low | 107 Ų | 107 | 94 Ų | 94 | 75% | 0.748 | 69% | 0.69 | S | S | * | * | cis | 179.2 | 105.8 | -6.3 | 173.9 | 0 | 0 | 0 | 0 | 105.3 | T92 | S90-T92 PolarHBondContact O-N 3.16Å; S90-T92 PolarHBondContact O-OG1 3.43Å; S90-T92 VanDerWaalsContact O-OG1 3.05Å | ||
| 91 | G | 46.2 | Very low | 56.3 | Low | 84 Ų | 84 | 92.6 Ų | 92.6 | 87% | 0.866 | 68% | 0.676 | S | S | * | * | trans | 71.4 | 10.2 | 149.2 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 92 | T | 48.6 | Very low | 58.5 | Low | 119 Ų | 119 | 94.9 Ų | 94.9 | 73% | 0.73 | 67% | 0.668 | S | S | * | * | trans | -104.1 | 9.5 | -167.7 | -15.9 | 0 | 0 | 0 | 0 | 118 | S90 | S90-T92 PolarHBondContact O-N 3.16Å; S90-T92 PolarHBondContact O-OG1 3.43Å; S90-T92 VanDerWaalsContact O-OG1 3.05Å | ||
| 93 | T | 55.7 | Low | 60.8 | Low | 116 Ų | 116 | 97 Ų | 97 | 71% | 0.712 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -90.9 | -29.5 | -176.4 | 54.8 | 0 | 0 | 0 | 0 | 114.3 | V97 | T93-V97 WeakPolarHBondContact O-CB 3.39Å; T93-V97 WeakPolarHBondContact O-CG2 3.46Å; T93-V97 PolarHBondContact O-N 3.05Å |
| 94 | S | 56.1 | Low | 63.1 | Low | 88 Ų | 88 | 96.2 Ų | 96.2 | 62% | 0.615 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -68.8 | -41.2 | -176.5 | -164.7 | 0 | 0 | 0 | 0 | 112.6 | T98 | S94-T98 VanDerWaalsContact O-CB 3.24Å; S94-T98 WeakPolarHBondContact O-CB 3.43Å; S94-T98 PolarHBondContact O-N 3.19Å; S94-T98 PolarHBondContact O-OG1 2.99Å |
| 95 | G | 63.8 | Low | 65.4 | Low | 41 Ų | 41 | 95 Ų | 95 | 42% | 0.423 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -64.4 | -53.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | V97 T98 D99 | G95-V97 PolarHBondContact O-N 2.98Å; G95-T98 CarbonylContact O-C 3.6Å; G95-T98 PolarHBondContact O-N 3.46Å; G95-D99 PolarHBondContact O-N 2.89Å |
| 96 | A | 69.6 | Low | 67.8 | Low | 57 Ų | 57 | 94.8 Ų | 94.8 | 47% | 0.471 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -62.7 | -38 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | T100 | A96-T100 WeakPolarHBondContact O-CB 3.16Å; A96-T100 PolarHBondContact O-N 3.44Å; A96-T100 PolarHBondContact O-OG1 3.37Å |
| 97 | V | 75.4 | Confident | 70.2 | Confident | 89 Ų | 89 | 94.2 Ų | 94.2 | 54% | 0.539 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -67.6 | -42.4 | 173.8 | 174.7 | 0 | 0 | 0 | 0 | 110.3 | T93 G95 T100 V101 | T93-V97 WeakPolarHBondContact O-CB 3.39Å; T93-V97 WeakPolarHBondContact O-CG2 3.46Å; T93-V97 PolarHBondContact O-N 3.05Å; G95-V97 PolarHBondContact O-N 2.98Å; V97-T100 PolarHBondContact O-N 3.03Å; V97-V101 HydrophobicContact CG1-CG2 4.38Å; V97-V101 VanDerWaalsContact O-CG2 3.29Å; V97-V101 WeakPolarHBondContact O-CG2 3.3Å; V97-V101 PolarHBondContact O-N 2.69Å |
| 98 | T | 79.7 | Confident | 72.2 | Confident | 82 Ų | 82 | 91.7 Ų | 91.7 | 50% | 0.503 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -63.9 | -42.9 | 178.3 | -56 | 0 | 0 | 0 | 0 | 111.7 | S94 G95 T100 V101 H102 | S94-T98 VanDerWaalsContact O-CB 3.24Å; S94-T98 WeakPolarHBondContact O-CB 3.43Å; S94-T98 PolarHBondContact O-N 3.19Å; S94-T98 PolarHBondContact O-OG1 2.99Å; G95-T98 CarbonylContact O-C 3.6Å; G95-T98 PolarHBondContact O-N 3.46Å; T98-T100 VanDerWaalsContact C-N 3.34Å; T98-T100 PolarHBondContact O-N 3.35Å; T98-V101 PolarHBondContact O-N 3.48Å; T98-H102 VanDerWaalsContact O-CB 3.31Å; T98-H102 WeakPolarHBondContact O-CB 3.42Å; T98-H102 PolarHBondContact O-N 3.39Å |
| 99 | D | 83.9 | Confident | 74.9 | Confident | 110 Ų | 110 | 91.4 Ų | 91.4 | 59% | 0.588 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -63.2 | -41.2 | 176.7 | -66.1 | -26.8 | 0 | 0 | 0 | 111.4 | G95 H102 R103 | G95-D99 PolarHBondContact O-N 2.89Å; D99-H102 PolarHBondContact O-N 3.48Å; D99-R103 WeakPolarHBondContact O-CB 3.46Å; D99-R103 PolarHBondContact O-N 2.82Å |
| 100 | T | 86.2 | Confident | 77.6 | Confident | 62 Ų | 62 | 93.5 Ų | 93.5 | 38% | 0.38 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -65.3 | -45.5 | 177.1 | -58.3 | 0 | 0 | 0 | 0 | 111.4 | A96 V97 T98 R103 L104 | A96-T100 WeakPolarHBondContact O-CB 3.16Å; A96-T100 PolarHBondContact O-N 3.44Å; A96-T100 PolarHBondContact O-OG1 3.37Å; V97-T100 PolarHBondContact O-N 3.03Å; T98-T100 VanDerWaalsContact C-N 3.34Å; T98-T100 PolarHBondContact O-N 3.35Å; T100-R103 PolarHBondContact O-N 3.38Å; T100-L104 HydrophobicContact CG2-CD1 4.11Å; T100-L104 WeakPolarHBondContact O-CB 3.28Å; T100-L104 WeakPolarHBondContact O-CG 3.07Å; T100-L104 PolarHBondContact O-N 2.84Å |
| 101 | V | 87.5 | Confident | 79.9 | Confident | 90 Ų | 90 | 94.1 Ų | 94.1 | 55% | 0.545 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.8 | -43.6 | 176.7 | 171 | 0 | 0 | 0 | 0 | 110.6 | V97 T98 L104 N105 | V97-V101 HydrophobicContact CG1-CG2 4.38Å; V97-V101 VanDerWaalsContact O-CG2 3.29Å; V97-V101 WeakPolarHBondContact O-CG2 3.3Å; V97-V101 PolarHBondContact O-N 2.69Å; T98-V101 PolarHBondContact O-N 3.48Å; V101-L104 PolarHBondContact O-N 3Å; V101-N105 VanDerWaalsContact O-CB 3.26Å; V101-N105 WeakPolarHBondContact O-CB 3.17Å; V101-N105 PolarHBondContact O-N 3.45Å |
| 102 | H | 89.2 | Confident | 82.1 | Confident | 119 Ų | 119 | 94.2 Ų | 94.2 | 55% | 0.551 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -60.9 | -46.4 | 177.8 | -175.4 | 61.3 | 0 | 0 | 0 | 111.5 | T98 D99 N105 M106 | T98-H102 VanDerWaalsContact O-CB 3.31Å; T98-H102 WeakPolarHBondContact O-CB 3.42Å; T98-H102 PolarHBondContact O-N 3.39Å; D99-H102 PolarHBondContact O-N 3.48Å; H102-N105 PolarHBondContact O-N 2.91Å; H102-M106 WeakPolarHBondContact O-CG 3.45Å; H102-M106 PolarHBondContact O-N 3.35Å |
| 103 | R | 91.6 | Very high | 84.3 | Confident | 120 Ų | 120 | 95.3 Ų | 95.3 | 45% | 0.453 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.7 | -49.1 | 175.9 | -178.9 | 179.6 | 56.1 | 72.5 | 1.2 | 112.3 | D99 T100 N105 M106 E107 | D99-R103 WeakPolarHBondContact O-CB 3.46Å; D99-R103 PolarHBondContact O-N 2.82Å; T100-R103 PolarHBondContact O-N 3.38Å; R103-N105 VanDerWaalsContact C-N 3.27Å; R103-N105 PolarHBondContact O-N 2.81Å; R103-M106 WeakPolarHBondContact O-CB 3.47Å; R103-M106 PolarHBondContact O-N 3.41Å; R103-M106 VanDerWaalsContact O-N 3.17Å; R103-E107 IonicContact CZ-OE1 3.94Å; R103-E107 IonicContact NH1-OE1 2.83Å; R103-E107 PolarHBondContact NH1-OE1 3.06Å; R103-E107 IonicContact NH1-OE2 3.91Å; R103-E107 PolarHBondContact O-N 3.45Å |
| 104 | L | 90.5 | Very high | 86.1 | Confident | 87 Ų | 87 | 92.8 Ų | 92.8 | 46% | 0.455 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.4 | -35.2 | 178.7 | -71.5 | 172.7 | 0 | 0 | 0 | 112 | T100 V101 E107 Y108 | T100-L104 HydrophobicContact CG2-CD1 4.11Å; T100-L104 WeakPolarHBondContact O-CB 3.28Å; T100-L104 WeakPolarHBondContact O-CG 3.07Å; T100-L104 PolarHBondContact O-N 2.84Å; V101-L104 PolarHBondContact O-N 3Å; L104-E107 PolarHBondContact O-N 2.9Å; L104-Y108 WeakPolarHBondContact O-CB 3.32Å; L104-Y108 PolarHBondContact O-N 3.38Å |
| 105 | N | 90.1 | Very high | 87.9 | Confident | 88 Ų | 88 | 93.1 Ų | 93.1 | 47% | 0.471 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -68.8 | -35.8 | 176 | -162.9 | 56 | 0 | 0 | 0 | 111.9 | V101 H102 R103 Y108 L109 | V101-N105 VanDerWaalsContact O-CB 3.26Å; V101-N105 WeakPolarHBondContact O-CB 3.17Å; V101-N105 PolarHBondContact O-N 3.45Å; H102-N105 PolarHBondContact O-N 2.91Å; R103-N105 VanDerWaalsContact C-N 3.27Å; R103-N105 PolarHBondContact O-N 2.81Å; N105-Y108 PolarHBondContact O-N 3.46Å; N105-L109 WeakPolarHBondContact O-CG 3.41Å; N105-L109 PolarHBondContact O-N 3.42Å; N105-L109 VanDerWaalsContact O-N 3.13Å |
| 106 | M | 92.3 | Very high | 89.3 | Confident | 82 Ų | 82 | 95 Ų | 95 | 40% | 0.404 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.6 | -46.9 | 171.2 | -72.2 | -55.8 | -53.1 | 0 | 0 | 111.8 | H102 R103 Y108 L109 E110 | H102-M106 WeakPolarHBondContact O-CG 3.45Å; H102-M106 PolarHBondContact O-N 3.35Å; R103-M106 WeakPolarHBondContact O-CB 3.47Å; R103-M106 PolarHBondContact O-N 3.41Å; R103-M106 VanDerWaalsContact O-N 3.17Å; M106-Y108 VanDerWaalsContact C-N 3.3Å; M106-Y108 PolarHBondContact O-N 3Å; M106-L109 PolarHBondContact O-N 3.43Å; M106-L109 HydrophobicContact SD-CD1 4.44Å; M106-E110 WeakPolarHBondContact O-CG 3.46Å; M106-E110 PolarHBondContact O-N 2.81Å |
| 107 | E | 94.5 | Very high | 90.4 | Very high | 83 Ų | 83 | 94.7 Ų | 94.7 | 39% | 0.388 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -59.3 | -40.1 | 175.7 | -72.1 | 173.8 | -156.4 | 0 | 0 | 111.8 | R103 L104 E110 L111 | R103-E107 IonicContact CZ-OE1 3.94Å; R103-E107 IonicContact NH1-OE1 2.83Å; R103-E107 PolarHBondContact NH1-OE1 3.06Å; R103-E107 IonicContact NH1-OE2 3.91Å; R103-E107 PolarHBondContact O-N 3.45Å; L104-E107 PolarHBondContact O-N 2.9Å; E107-E110 PolarHBondContact O-N 3.31Å; E107-L111 WeakPolarHBondContact O-CB 3.42Å; E107-L111 VanDerWaalsContact O-CG 3.32Å; E107-L111 WeakPolarHBondContact O-CG 3.33Å; E107-L111 PolarHBondContact O-N 3.33Å |
| 108 | Y | 92.8 | Very high | 91.2 | Very high | 143 Ų | 143 | 95 Ų | 95 | 56% | 0.561 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -60.8 | -45.1 | 175.7 | 177.7 | -98.7 | 0 | 0 | 0 | 112.3 | L104 N105 M106 L111 Q112 | L104-Y108 WeakPolarHBondContact O-CB 3.32Å; L104-Y108 PolarHBondContact O-N 3.38Å; N105-Y108 PolarHBondContact O-N 3.46Å; M106-Y108 VanDerWaalsContact C-N 3.3Å; M106-Y108 PolarHBondContact O-N 3Å; Y108-L111 PolarHBondContact O-N 3.12Å; Y108-Q112 VanDerWaalsContact CZ-OE1 3.29Å; Y108-Q112 WeakPolarHBondContact O-CB 3.43Å; Y108-Q112 PolarHBondContact O-N 3.4Å; Y108-Q112 PolarHBondContact OH-OE1 2.95Å |
| 109 | L | 95.8 | Very high | 91.8 | Very high | 74 Ų | 74 | 96.3 Ų | 96.3 | 39% | 0.387 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.8 | -43.2 | 178.4 | -73.3 | 167.9 | 0 | 0 | 0 | 111.9 | N105 M106 Q112 Q113 | N105-L109 WeakPolarHBondContact O-CG 3.41Å; N105-L109 PolarHBondContact O-N 3.42Å; N105-L109 VanDerWaalsContact O-N 3.13Å; M106-L109 PolarHBondContact O-N 3.43Å; M106-L109 HydrophobicContact SD-CD1 4.44Å; L109-Q112 PolarHBondContact O-N 3.33Å; L109-Q113 WeakPolarHBondContact O-CG 3.32Å; L109-Q113 PolarHBondContact O-N 3.07Å |
| 110 | E | 95.9 | Very high | 92.3 | Very high | 122 Ų | 122 | 96.5 Ų | 96.5 | 57% | 0.57 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -62.7 | -45.4 | 176.9 | -71.8 | 177.9 | -175.7 | 0 | 0 | 112 | M106 E107 Q112 Q113 S114 | M106-E110 WeakPolarHBondContact O-CG 3.46Å; M106-E110 PolarHBondContact O-N 2.81Å; E107-E110 PolarHBondContact O-N 3.31Å; E110-Q112 VanDerWaalsContact C-N 3.3Å; E110-Q112 PolarHBondContact O-N 2.99Å; E110-Q113 PolarHBondContact O-N 2.72Å; E110-S114 WeakPolarHBondContact O-CB 3.42Å; E110-S114 PolarHBondContact O-N 3.35Å |
| 111 | L | 93.1 | Very high | 92.6 | Very high | 121 Ų | 121 | 98.5 Ų | 98.5 | 63% | 0.634 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -63 | -37.7 | 177.3 | -75.3 | 171.5 | 0 | 0 | 0 | 111.9 | E107 Y108 S114 L115 | E107-L111 WeakPolarHBondContact O-CB 3.42Å; E107-L111 VanDerWaalsContact O-CG 3.32Å; E107-L111 WeakPolarHBondContact O-CG 3.33Å; E107-L111 PolarHBondContact O-N 3.33Å; Y108-L111 PolarHBondContact O-N 3.12Å; L111-S114 PolarHBondContact O-N 3.42Å; L111-L115 WeakPolarHBondContact O-CB 3.49Å; L111-L115 PolarHBondContact O-N 2.89Å |
| 112 | Q | 91.3 | Very high | 92.6 | Very high | 86 Ų | 86 | 101.1 Ų | 101.1 | 40% | 0.402 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -67.5 | -42.9 | 177.6 | -168.8 | 164.5 | -31.5 | 0 | 0 | 111.8 | Y108 L109 E110 S114 L115 D116 | Y108-Q112 VanDerWaalsContact CZ-OE1 3.29Å; Y108-Q112 WeakPolarHBondContact O-CB 3.43Å; Y108-Q112 PolarHBondContact O-N 3.4Å; Y108-Q112 PolarHBondContact OH-OE1 2.95Å; L109-Q112 PolarHBondContact O-N 3.33Å; E110-Q112 VanDerWaalsContact C-N 3.3Å; E110-Q112 PolarHBondContact O-N 2.99Å; Q112-S114 VanDerWaalsContact C-N 3.33Å; Q112-S114 PolarHBondContact O-N 3.34Å; Q112-L115 PolarHBondContact O-N 3.44Å; Q112-D116 PolarHBondContact O-N 2.96Å |
| 113 | Q | 95.2 | Very high | 92.8 | Very high | 141 Ų | 141 | 101.7 Ų | 101.7 | 66% | 0.659 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -61.4 | -41.6 | 173 | -70.9 | 177.9 | 17 | 0 | 0 | 112 | L109 E110 D116 S117 | L109-Q113 WeakPolarHBondContact O-CG 3.32Å; L109-Q113 PolarHBondContact O-N 3.07Å; E110-Q113 PolarHBondContact O-N 2.72Å; Q113-D116 PolarHBondContact O-N 2.87Å; Q113-S117 WeakPolarHBondContact O-CB 3.46Å; Q113-S117 PolarHBondContact O-N 2.91Å |
| 114 | S | 94.1 | Very high | 92.8 | Very high | 63 Ų | 63 | 103.4 Ų | 103.4 | 44% | 0.441 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.6 | -47.7 | 176.3 | -171.2 | 0 | 0 | 0 | 0 | 111.5 | E110 L111 Q112 D116 S117 E118 | E110-S114 WeakPolarHBondContact O-CB 3.42Å; E110-S114 PolarHBondContact O-N 3.35Å; L111-S114 PolarHBondContact O-N 3.42Å; Q112-S114 VanDerWaalsContact C-N 3.33Å; Q112-S114 PolarHBondContact O-N 3.34Å; S114-D116 VanDerWaalsContact C-N 3.33Å; S114-D116 PolarHBondContact O-N 2.72Å; S114-S117 PolarHBondContact O-N 3.18Å; S114-S117 PolarHBondContact O-OG 2.95Å; S114-E118 PolarHBondContact O-N 3.38Å |
| 115 | L | 92.9 | Very high | 92.7 | Very high | 95 Ų | 95 | 105.2 Ų | 105.2 | 50% | 0.497 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -58.3 | -43.4 | 176.9 | -177.3 | 69.3 | 0 | 0 | 0 | 112 | L111 Q112 E118 K119 | L111-L115 WeakPolarHBondContact O-CB 3.49Å; L111-L115 PolarHBondContact O-N 2.89Å; Q112-L115 PolarHBondContact O-N 3.44Å; L115-E118 PolarHBondContact O-N 3.4Å; L115-K119 HydrophobicContact CG-CD 4.39Å; L115-K119 WeakPolarHBondContact O-CB 3.45Å; L115-K119 WeakPolarHBondContact O-CG 3.47Å; L115-K119 PolarHBondContact O-N 2.94Å |
| 116 | D | 94.3 | Very high | 92.5 | Very high | 80 Ų | 80 | 107.2 Ų | 107.2 | 43% | 0.428 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -69.3 | -35.5 | 179 | -70.5 | -21.6 | 0 | 0 | 0 | 111.9 | Q112 Q113 S114 K119 K120 | Q112-D116 PolarHBondContact O-N 2.96Å; Q113-D116 PolarHBondContact O-N 2.87Å; S114-D116 VanDerWaalsContact C-N 3.33Å; S114-D116 PolarHBondContact O-N 2.72Å; D116-K119 PolarHBondContact O-N 2.6Å; D116-K119 IonicContact OD1-NZ 2.69Å; D116-K120 WeakPolarHBondContact O-CB 3.34Å; D116-K120 PolarHBondContact O-N 3.35Å |
| 117 | S | 92.5 | Very high | 92.3 | Very high | 52 Ų | 52 | 108.2 Ų | 108.2 | 36% | 0.364 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.7 | -41 | 172.6 | 83.9 | 0 | 0 | 0 | 0 | 112 | Q113 S114 K120 K121 | Q113-S117 WeakPolarHBondContact O-CB 3.46Å; Q113-S117 PolarHBondContact O-N 2.91Å; S114-S117 PolarHBondContact O-N 3.18Å; S114-S117 PolarHBondContact O-OG 2.95Å; S117-K120 PolarHBondContact O-N 3.47Å; S117-K121 WeakPolarHBondContact O-CG 3.33Å; S117-K121 PolarHBondContact O-N 3.32Å |
| 118 | E | 92 | Very high | 91.8 | Very high | 95 Ų | 95 | 106.8 Ų | 106.8 | 44% | 0.444 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -69.2 | -40.6 | 176.5 | -75.1 | -59.1 | 133.8 | 0 | 0 | 111.8 | S114 L115 K120 K121 K122 | S114-E118 PolarHBondContact O-N 3.38Å; L115-E118 PolarHBondContact O-N 3.4Å; E118-K120 VanDerWaalsContact C-N 3.34Å; E118-K120 PolarHBondContact O-N 3.2Å; E118-K121 WeakPolarHBondContact O-CB 3.34Å; E118-K121 PolarHBondContact O-N 3.46Å; E118-K121 IonicContact OE1-NZ 2.6Å; E118-K121 PolarHBondContact OE1-NZ 2.71Å; E118-K122 PolarHBondContact O-N 3.24Å |
| 119 | K | 93 | Very high | 91.3 | Very high | 109 Ų | 109 | 102.3 Ų | 102.3 | 47% | 0.474 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.9 | -44.2 | 172.1 | -76.2 | 173.2 | -177.4 | 166.3 | 0 | 111.6 | L115 D116 K121 K122 E123 | L115-K119 HydrophobicContact CG-CD 4.39Å; L115-K119 WeakPolarHBondContact O-CB 3.45Å; L115-K119 WeakPolarHBondContact O-CG 3.47Å; L115-K119 PolarHBondContact O-N 2.94Å; D116-K119 PolarHBondContact O-N 2.6Å; D116-K119 IonicContact OD1-NZ 2.69Å; K119-K121 VanDerWaalsContact C-N 3.34Å; K119-K121 PolarHBondContact O-N 2.85Å; K119-K122 WeakPolarHBondContact O-CB 3.28Å; K119-K122 PolarHBondContact O-N 2.87Å; K119-E123 WeakPolarHBondContact O-CB 3.32Å; K119-E123 PolarHBondContact O-N 3.37Å |
| 120 | K | 94.6 | Very high | 90.5 | Very high | 114 Ų | 114 | 101.7 Ų | 101.7 | 50% | 0.496 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.4 | -36.3 | 177.1 | -169.9 | 171.8 | -172.1 | 169.5 | 0 | 112.2 | D116 S117 E118 R124 | D116-K120 WeakPolarHBondContact O-CB 3.34Å; D116-K120 PolarHBondContact O-N 3.35Å; S117-K120 PolarHBondContact O-N 3.47Å; E118-K120 VanDerWaalsContact C-N 3.34Å; E118-K120 PolarHBondContact O-N 3.2Å; K120-R124 WeakPolarHBondContact O-CB 3.49Å; K120-R124 VanDerWaalsContact O-CG 3.28Å; K120-R124 WeakPolarHBondContact O-CG 3.44Å; K120-R124 PolarHBondContact O-N 2.87Å |
| 121 | K | 91.4 | Very high | 89.6 | Confident | 105 Ų | 105 | 102.8 Ų | 102.8 | 46% | 0.457 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.5 | -47.4 | 171.2 | -73.7 | 174.6 | -169.2 | 169.9 | 0 | 111.2 | S117 E118 K119 E123 R124 L125 | S117-K121 WeakPolarHBondContact O-CG 3.33Å; S117-K121 PolarHBondContact O-N 3.32Å; E118-K121 WeakPolarHBondContact O-CB 3.34Å; E118-K121 PolarHBondContact O-N 3.46Å; E118-K121 IonicContact OE1-NZ 2.6Å; E118-K121 PolarHBondContact OE1-NZ 2.71Å; K119-K121 VanDerWaalsContact C-N 3.34Å; K119-K121 PolarHBondContact O-N 2.85Å; K121-E123 VanDerWaalsContact C-N 3.32Å; K121-E123 PolarHBondContact O-N 2.76Å; K121-R124 PolarHBondContact O-N 3.42Å; K121-L125 WeakPolarHBondContact O-CG 3.28Å; K121-L125 PolarHBondContact O-N 3Å |
| 122 | K | 88.9 | Confident | 88.4 | Confident | 144 Ų | 144 | 105 Ų | 105 | 63% | 0.626 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -57.7 | -45.4 | 175.9 | 179 | -177.2 | 173.6 | -178.1 | 0 | 111.2 | E118 K119 L125 Q126 | E118-K122 PolarHBondContact O-N 3.24Å; K119-K122 WeakPolarHBondContact O-CB 3.28Å; K119-K122 PolarHBondContact O-N 2.87Å; K122-L125 PolarHBondContact O-N 3.48Å; K122-Q126 VanDerWaalsContact O-CB 3.27Å; K122-Q126 WeakPolarHBondContact O-CB 3.47Å; K122-Q126 PolarHBondContact O-N 3.26Å |
| 123 | E | 93.5 | Very high | 86.9 | Confident | 131 Ų | 131 | 105.7 Ų | 105.7 | 61% | 0.612 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62.1 | -46.1 | 178.1 | -174.5 | 177.9 | -164.6 | 0 | 0 | 111.8 | K119 K121 L125 Q126 E127 | K119-E123 WeakPolarHBondContact O-CB 3.32Å; K119-E123 PolarHBondContact O-N 3.37Å; K121-E123 VanDerWaalsContact C-N 3.32Å; K121-E123 PolarHBondContact O-N 2.76Å; E123-L125 PolarHBondContact O-N 2.94Å; E123-Q126 PolarHBondContact O-N 3.41Å; E123-E127 WeakPolarHBondContact O-CB 3.27Å; E123-E127 PolarHBondContact O-N 2.83Å |
| 124 | R | 91.2 | Very high | 85.1 | Confident | 156 Ų | 156 | 101.4 Ų | 101.4 | 59% | 0.589 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -60.4 | -42.5 | 175.1 | -74.9 | 173 | 174 | -179.8 | -3.6 | 112.7 | K120 K121 Q126 E127 A128 | K120-R124 WeakPolarHBondContact O-CB 3.49Å; K120-R124 VanDerWaalsContact O-CG 3.28Å; K120-R124 WeakPolarHBondContact O-CG 3.44Å; K120-R124 PolarHBondContact O-N 2.87Å; K121-R124 PolarHBondContact O-N 3.42Å; R124-Q126 VanDerWaalsContact C-N 3.34Å; R124-E127 PolarHBondContact O-N 3.35Å; R124-A128 WeakPolarHBondContact O-CB 3.39Å; R124-A128 PolarHBondContact O-N 3.47Å |
| 125 | L | 87.8 | Confident | 83.9 | Confident | 126 Ų | 126 | 100 Ų | 100 | 66% | 0.66 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -66.6 | -38.5 | 175.9 | -72.7 | 173.5 | 0 | 0 | 0 | 111.4 | K121 K122 E123 A129 | K121-L125 WeakPolarHBondContact O-CG 3.28Å; K121-L125 PolarHBondContact O-N 3Å; K122-L125 PolarHBondContact O-N 3.48Å; E123-L125 PolarHBondContact O-N 2.94Å; L125-A129 WeakPolarHBondContact O-CB 3.25Å; L125-A129 PolarHBondContact O-N 2.8Å |
| 126 | Q | 85.8 | Confident | 82.6 | Confident | 129 Ų | 129 | 103.1 Ų | 103.1 | 60% | 0.603 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -68.5 | -39.1 | 176.9 | -171.4 | 173.7 | -2.7 | 0 | 0 | 111.8 | K122 E123 R124 A129 A130 | K122-Q126 VanDerWaalsContact O-CB 3.27Å; K122-Q126 WeakPolarHBondContact O-CB 3.47Å; K122-Q126 PolarHBondContact O-N 3.26Å; E123-Q126 PolarHBondContact O-N 3.41Å; R124-Q126 VanDerWaalsContact C-N 3.34Å; Q126-A129 PolarHBondContact O-N 2.85Å; Q126-A130 VanDerWaalsContact O-CB 3.28Å; Q126-A130 WeakPolarHBondContact O-CB 3.44Å; Q126-A130 PolarHBondContact O-N 2.98Å |
| 127 | E | 87.7 | Confident | 81.2 | Confident | 103 Ų | 103 | 101 Ų | 101 | 48% | 0.481 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.8 | -43.5 | 174.5 | -169.5 | -168.6 | 161.1 | 0 | 0 | 111.4 | E123 R124 A130 K131 | E123-E127 WeakPolarHBondContact O-CB 3.27Å; E123-E127 PolarHBondContact O-N 2.83Å; R124-E127 PolarHBondContact O-N 3.35Å; E127-A130 PolarHBondContact O-N 2.82Å; E127-K131 WeakPolarHBondContact O-CG 3.18Å; E127-K131 PolarHBondContact O-N 2.95Å; E127-K131 VanDerWaalsContact OE1-CE 3.25Å; E127-K131 WeakPolarHBondContact OE1-CE 3.35Å; E127-K131 IonicContact OE1-NZ 2.62Å; E127-K131 PolarHBondContact OE1-NZ 2.93Å |
| 128 | A | 85.1 | Confident | 80.1 | Confident | 54 Ų | 54 | 101.5 Ų | 101.5 | 45% | 0.446 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.5 | -44.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | R124 A130 K131 E132 | R124-A128 WeakPolarHBondContact O-CB 3.39Å; R124-A128 PolarHBondContact O-N 3.47Å; A128-A130 VanDerWaalsContact C-N 3.35Å; A128-A130 PolarHBondContact O-N 3.18Å; A128-K131 PolarHBondContact O-N 3.31Å; A128-E132 PolarHBondContact O-N 3.44Å |
| 129 | A | 81 | Confident | 79 | Confident | 48 Ų | 48 | 103.2 Ų | 103.2 | 40% | 0.397 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.8 | -39.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L125 Q126 E132 M133 | L125-A129 WeakPolarHBondContact O-CB 3.25Å; L125-A129 PolarHBondContact O-N 2.8Å; Q126-A129 PolarHBondContact O-N 2.85Å; A129-E132 PolarHBondContact O-N 3.49Å; A129-M133 WeakPolarHBondContact O-CA 3Å; A129-M133 WeakPolarHBondContact O-CB 3.49Å; A129-M133 PolarHBondContact O-N 3.48Å |
| 130 | A | 78.9 | Confident | 77.8 | Confident | 61 Ų | 61 | 98.8 Ų | 98.8 | 50% | 0.504 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.4 | -37.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q126 E127 A128 M133 G134 | Q126-A130 VanDerWaalsContact O-CB 3.28Å; Q126-A130 WeakPolarHBondContact O-CB 3.44Å; Q126-A130 PolarHBondContact O-N 2.98Å; E127-A130 PolarHBondContact O-N 2.82Å; A128-A130 VanDerWaalsContact C-N 3.35Å; A128-A130 PolarHBondContact O-N 3.18Å; A130-M133 PolarHBondContact O-N 3.32Å; A130-G134 PolarHBondContact O-N 3.43Å |
| 131 | K | 77.9 | Confident | 76.7 | Confident | 146 Ų | 146 | 96.8 Ų | 96.8 | 64% | 0.635 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -65.5 | -41.6 | 174.7 | -73.7 | 173.5 | -174.4 | 169.3 | 0 | 112 | E127 A128 | E127-K131 WeakPolarHBondContact O-CG 3.18Å; E127-K131 PolarHBondContact O-N 2.95Å; E127-K131 VanDerWaalsContact OE1-CE 3.25Å; E127-K131 WeakPolarHBondContact OE1-CE 3.35Å; E127-K131 IonicContact OE1-NZ 2.62Å; E127-K131 PolarHBondContact OE1-NZ 2.93Å; A128-K131 PolarHBondContact O-N 3.31Å |
| 132 | E | 68.4 | Low | 75.8 | Confident | 167 Ų | 167 | 97.9 Ų | 97.9 | 78% | 0.78 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -70.4 | -37.2 | 172.9 | -76.3 | -157.2 | 152.1 | 0 | 0 | 112.4 | A128 A129 G134 G135 | A128-E132 PolarHBondContact O-N 3.44Å; A129-E132 PolarHBondContact O-N 3.49Å; E132-G134 VanDerWaalsContact C-N 3.26Å; E132-G134 PolarHBondContact O-N 2.66Å; E132-G135 PolarHBondContact O-N 3.36Å |
| 133 | M | 59.9 | Low | 75 | Confident | 100 Ų | 100 | 92.9 Ų | 92.9 | 49% | 0.493 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -73.9 | -14.2 | -178.9 | -176.3 | 164.7 | -78.2 | 0 | 0 | 113.4 | A129 A130 G135 M138 | A129-M133 WeakPolarHBondContact O-CA 3Å; A129-M133 WeakPolarHBondContact O-CB 3.49Å; A129-M133 PolarHBondContact O-N 3.48Å; A130-M133 PolarHBondContact O-N 3.32Å; M133-G135 VanDerWaalsContact C-N 3.26Å; M133-G135 PolarHBondContact O-N 3.47Å; M133-M138 HydrophobicContact CB-CG 4.33Å; M133-M138 HydrophobicContact CE-CE 3.74Å; M133-M138 HydrophobicContact CG-CG 3.86Å; M133-M138 WeakPolarHBondContact O-CB 3.49Å |
| 134 | G | 57.4 | Low | 74 | Confident | 52 Ų | 52 | 91.5 Ų | 91.5 | 54% | 0.536 | 49% | 0.487 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -5.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | A130 E132 | A130-G134 PolarHBondContact O-N 3.43Å; E132-G134 VanDerWaalsContact C-N 3.26Å; E132-G134 PolarHBondContact O-N 2.66Å |
| 135 | G | 68 | Low | 73.1 | Confident | 32 Ų | 32 | 88.6 Ų | 88.6 | 33% | 0.33 | 49% | 0.487 | S | S | . | . | S | Bend | trans | -64.9 | 143.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | E132 M133 V137 M138 Q139 | E132-G135 PolarHBondContact O-N 3.36Å; M133-G135 VanDerWaalsContact C-N 3.26Å; M133-G135 PolarHBondContact O-N 3.47Å; G135-V137 PolarHBondContact O-N 3.42Å; G135-M138 PolarHBondContact O-N 3Å; G135-Q139 PolarHBondContact O-N 3.29Å |
| 136 | R | 65.4 | Low | 72.3 | Confident | 162 Ų | 162 | 91.9 Ų | 91.9 | 61% | 0.611 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -46.7 | -33.6 | 173.6 | 178.5 | 178.1 | -91 | -100.4 | -2.6 | 112.9 | C140 | R136-C140 PolarHBondContact O-N 2.98Å; R136-C140 VanDerWaalsContact O-N 3.09Å; R136-C140 PolarHBondContact O-SG 2.77Å; R136-C140 VanDerWaalsContact O-SG 3.38Å |
| 137 | V | 64.8 | Low | 71.8 | Confident | 35 Ų | 35 | 93.1 Ų | 93.1 | 21% | 0.212 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -70 | -39.3 | 178.3 | -179.4 | 0 | 0 | 0 | 0 | 112.9 | G135 Q139 C140 L141 L156 W159 | G135-V137 PolarHBondContact O-N 3.42Å; V137-Q139 VanDerWaalsContact C-N 3.33Å; V137-C140 WeakPolarHBondContact O-CB 3.36Å; V137-C140 PolarHBondContact O-N 2.84Å; V137-C140 VanDerWaalsContact O-N 3.16Å; V137-L141 PolarHBondContact O-N 2.96Å; V137-L156 HydrophobicContact CG1-CD1 4.33Å; V137-W159 HydrophobicContact CG1-CB 4.16Å; V137-W159 HydrophobicContact CG1-CD2 3.42Å; V137-W159 VanDerWaalsContact CG1-CD2 3.42Å; V137-W159 HydrophobicContact CG1-CE3 3.74Å; V137-W159 HydrophobicContact CG1-CG 3.6Å; V137-W159 HydrophobicContact CG1-CH2 4.48Å; V137-W159 HydrophobicContact CG1-CZ2 4.24Å; V137-W159 HydrophobicContact CG1-CZ3 4.27Å; V137-W159 HydrophobicContact CG2-CG 4.3Å |
| 138 | M | 70.1 | Confident | 71 | Confident | 62 Ų | 62 | 89.4 Ų | 89.4 | 31% | 0.305 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -73.9 | -30.2 | 179.2 | -153.7 | 66.6 | 140.3 | 0 | 0 | 111.4 | M133 G135 C140 L141 N142 | M133-M138 HydrophobicContact CB-CG 4.33Å; M133-M138 HydrophobicContact CE-CE 3.74Å; M133-M138 HydrophobicContact CG-CG 3.86Å; M133-M138 WeakPolarHBondContact O-CB 3.49Å; G135-M138 PolarHBondContact O-N 3Å; M138-C140 VanDerWaalsContact C-N 3.34Å; M138-L141 PolarHBondContact O-N 3.46Å; M138-L141 HydrophobicContact SD-CD1 3.66Å; M138-N142 WeakPolarHBondContact O-CB 3.39Å; M138-N142 PolarHBondContact O-N 3.38Å |
| 139 | Q | 68 | Low | 70.8 | Confident | 132 Ų | 132 | 88.6 Ų | 88.6 | 62% | 0.617 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -62 | -41.4 | 166.1 | -74 | 176.4 | -0.8 | 0 | 0 | 111.4 | G135 V137 L141 N142 A143 | G135-Q139 PolarHBondContact O-N 3.29Å; V137-Q139 VanDerWaalsContact C-N 3.33Å; Q139-L141 VanDerWaalsContact C-N 3.34Å; Q139-L141 PolarHBondContact O-N 3.47Å; Q139-N142 PolarHBondContact O-N 3.33Å; Q139-A143 VanDerWaalsContact O-CB 3.22Å; Q139-A143 WeakPolarHBondContact O-CB 3.31Å; Q139-A143 PolarHBondContact O-N 3.35Å |
| 140 | C | 67.6 | Low | 70.9 | Confident | 16 Ų | 16 | 92.8 Ų | 92.8 | 11% | 0.108 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -63.6 | -36.5 | 173.5 | -73.3 | 0 | 0 | 0 | 0 | 113 | R136 V137 M138 L148 L156 | R136-C140 PolarHBondContact O-N 2.98Å; R136-C140 VanDerWaalsContact O-N 3.09Å; R136-C140 PolarHBondContact O-SG 2.77Å; R136-C140 VanDerWaalsContact O-SG 3.38Å; V137-C140 WeakPolarHBondContact O-CB 3.36Å; V137-C140 PolarHBondContact O-N 2.84Å; V137-C140 VanDerWaalsContact O-N 3.16Å; M138-C140 VanDerWaalsContact C-N 3.34Å; C140-L148 HydrophobicContact CB-CD2 3.94Å; C140-L156 HydrophobicContact CB-CD1 4.05Å; C140-L156 HydrophobicContact CB-CD2 4.35Å |
| 141 | L | 71.1 | Confident | 71 | Confident | 71 Ų | 71 | 93.3 Ų | 93.3 | 37% | 0.372 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -70.4 | -33.5 | 176.9 | -74.6 | 169.6 | 0 | 0 | 0 | 113.4 | V137 M138 Q139 L156 W159 | V137-L141 PolarHBondContact O-N 2.96Å; M138-L141 PolarHBondContact O-N 3.46Å; M138-L141 HydrophobicContact SD-CD1 3.66Å; Q139-L141 VanDerWaalsContact C-N 3.34Å; Q139-L141 PolarHBondContact O-N 3.47Å; L141-L156 HydrophobicContact CD2-CD1 3.75Å; L141-L156 HydrophobicContact CG-CD1 3.86Å; L141-W159 HydrophobicContact CD1-CH2 4.17Å; L141-W159 HydrophobicContact CD1-CZ3 3.83Å |
| 142 | N | 72.5 | Confident | 71.1 | Confident | 128 Ų | 128 | 89.9 Ų | 89.9 | 68% | 0.684 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -87.7 | -14.8 | 178.3 | -79.3 | -20.8 | 0 | 0 | 0 | 113.4 | M138 Q139 | M138-N142 WeakPolarHBondContact O-CB 3.39Å; M138-N142 PolarHBondContact O-N 3.38Å; Q139-N142 PolarHBondContact O-N 3.33Å |
| 143 | A | 73 | Confident | 71.7 | Confident | 39 Ų | 39 | 85.7 Ų | 85.7 | 32% | 0.322 | 47% | 0.47 | S | S | . | . | S | Bend | trans | -74.1 | 152.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q139 V145 L148 | Q139-A143 VanDerWaalsContact O-CB 3.22Å; Q139-A143 WeakPolarHBondContact O-CB 3.31Å; Q139-A143 PolarHBondContact O-N 3.35Å; A143-V145 PolarHBondContact O-N 3.17Å; A143-L148 HydrophobicContact CB-CD1 3.35Å |
| 144 | N | 72.4 | Confident | 72.8 | Confident | 103 Ų | 103 | 86.1 Ų | 86.1 | 55% | 0.551 | 47% | 0.471 | S | S | * | . | trans | -62 | 126.3 | 169.6 | -109.5 | -25.6 | 0 | 0 | 0 | 108.6 | F146 E147 | N144-F146 PolarHBondContact O-N 3.46Å; N144-E147 HydrophobicContact CB-CB 4.34Å; N144-E147 HydrophobicContact CB-CG 4.02Å; N144-E147 PolarHBondContact O-N 3.15Å | ||
| 145 | V | 71.9 | Confident | 74.1 | Confident | 94 Ų | 94 | 88.1 Ų | 88.1 | 57% | 0.57 | 47% | 0.466 | S | S | * | . | G | 310 helix | trans | -55.3 | -27.9 | 178.8 | 173.9 | 0 | 0 | 0 | 0 | 111.9 | A143 E147 L153 | A143-V145 PolarHBondContact O-N 3.17Å; V145-E147 VanDerWaalsContact C-N 3.33Å; V145-L153 HydrophobicContact CG1-CD1 4.3Å |
| 146 | F | 71.1 | Confident | 74.7 | Confident | 196 Ų | 196 | 87.6 Ų | 87.6 | 86% | 0.86 | 46% | 0.456 | S | S | * | . | G | 310 helix | trans | -76.7 | -13.2 | 177.4 | -57.7 | -74.2 | 0 | 0 | 0 | 114.8 | N144 | N144-F146 PolarHBondContact O-N 3.46Š|
| 147 | E | 75.3 | Confident | 75.7 | Confident | 154 Ų | 154 | 84.9 Ų | 84.9 | 72% | 0.72 | 45% | 0.45 | S | S | * | . | G | 310 helix | trans | -98.5 | -7.5 | 177.5 | -65.6 | -169.4 | -175 | 0 | 0 | 112.9 | N144 V145 | N144-E147 HydrophobicContact CB-CB 4.34Å; N144-E147 HydrophobicContact CB-CG 4.02Å; N144-E147 PolarHBondContact O-N 3.15Å; V145-E147 VanDerWaalsContact C-N 3.33Å |
| 148 | L | 70.8 | Confident | 76.8 | Confident | 26 Ų | 26 | 90.7 Ų | 90.7 | 14% | 0.136 | 47% | 0.473 | C | S | . | . | S | Bend | trans | -82.3 | 133.5 | 176.6 | -99.1 | 71.8 | 0 | 0 | 0 | 111.9 | C140 A143 E152 L153 L156 | C140-L148 HydrophobicContact CB-CD2 3.94Å; A143-L148 HydrophobicContact CB-CD1 3.35Å; L148-E152 WeakPolarHBondContact CA-OE2 3.33Å; L148-E152 HydrophobicContact CB-CB 4.34Å; L148-E152 HydrophobicContact CD2-CB 3.98Å; L148-E152 HydrophobicContact CG-CB 3.94Å; L148-L153 HydrophobicContact CB-CD1 3.92Å; L148-L156 HydrophobicContact CD2-CD2 4.21Å |
| 149 | G | 80.6 | Confident | 77.4 | Confident | 37 Ų | 37 | 92.8 Ų | 92.8 | 38% | 0.381 | 48% | 0.477 | S | S | . | . | trans | -70.7 | 163.2 | 170 | 0 | 0 | 0 | 0 | 0 | 112.6 | A151 E152 L153 | G149-A151 VanDerWaalsContact C-N 3.27Å; G149-A151 PolarHBondContact O-N 3.02Å; G149-E152 PolarHBondContact N-OE2 3.27Å; G149-E152 PolarHBondContact O-N 2.85Å; G149-E152 VanDerWaalsContact O-N 3.11Å; G149-L153 PolarHBondContact O-N 2.92Å | ||
| 150 | L | 82.9 | Confident | 78.3 | Confident | 136 Ų | 136 | 90.6 Ų | 90.6 | 71% | 0.712 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -57.7 | -37.6 | -178.1 | -172.6 | 143.2 | 0 | 0 | 0 | 113.2 | L153 Q154 | L150-L153 PolarHBondContact O-N 3.48Å; L150-Q154 HydrophobicContact CD2-CG 4.35Å; L150-Q154 WeakPolarHBondContact O-CG 3.22Å; L150-Q154 PolarHBondContact O-N 2.91Å |
| 151 | A | 82 | Confident | 79.4 | Confident | 72 Ų | 72 | 95.1 Ų | 95.1 | 60% | 0.595 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -66.1 | -40.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | G149 Q154 E155 | G149-A151 VanDerWaalsContact C-N 3.27Å; G149-A151 PolarHBondContact O-N 3.02Å; A151-Q154 PolarHBondContact O-N 3.16Å; A151-E155 PolarHBondContact O-N 3.37Å |
| 152 | E | 79.8 | Confident | 80.3 | Confident | 73 Ų | 73 | 94.8 Ų | 94.8 | 34% | 0.341 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -70.1 | -37.2 | 178.9 | -62.4 | 168.4 | 155.6 | 0 | 0 | 110.6 | L148 G149 E155 L156 | L148-E152 WeakPolarHBondContact CA-OE2 3.33Å; L148-E152 HydrophobicContact CB-CB 4.34Å; L148-E152 HydrophobicContact CD2-CB 3.98Å; L148-E152 HydrophobicContact CG-CB 3.94Å; G149-E152 PolarHBondContact N-OE2 3.27Å; G149-E152 PolarHBondContact O-N 2.85Å; G149-E152 VanDerWaalsContact O-N 3.11Å; E152-E155 PolarHBondContact O-N 3.02Å; E152-L156 WeakPolarHBondContact O-CB 3.45Å; E152-L156 PolarHBondContact O-N 3.24Å |
| 153 | L | 80.6 | Confident | 81 | Confident | 80 Ų | 80 | 91.2 Ų | 91.2 | 42% | 0.419 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64.9 | -40 | 175.2 | -133.6 | 114.1 | 0 | 0 | 0 | 112 | V145 L148 G149 L150 L156 Q157 | V145-L153 HydrophobicContact CG1-CD1 4.3Å; L148-L153 HydrophobicContact CB-CD1 3.92Å; G149-L153 PolarHBondContact O-N 2.92Å; L150-L153 PolarHBondContact O-N 3.48Å; L153-L156 PolarHBondContact O-N 3.33Å; L153-Q157 WeakPolarHBondContact O-CB 3.35Å; L153-Q157 PolarHBondContact O-N 2.96Å |
| 154 | Q | 84.4 | Confident | 81.8 | Confident | 109 Ų | 109 | 93 Ų | 93 | 51% | 0.509 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67.5 | -37.4 | 174.4 | -76.3 | -176.7 | -42.7 | 0 | 0 | 112.4 | L150 A151 Q157 K158 | L150-Q154 HydrophobicContact CD2-CG 4.35Å; L150-Q154 WeakPolarHBondContact O-CG 3.22Å; L150-Q154 PolarHBondContact O-N 2.91Å; A151-Q154 PolarHBondContact O-N 3.16Å; Q154-Q157 PolarHBondContact O-N 3.38Å; Q154-K158 PolarHBondContact O-N 3.32Å; Q154-K158 VanDerWaalsContact O-N 3.09Å |
| 155 | E | 82.8 | Confident | 82.9 | Confident | 93 Ų | 93 | 89.8 Ų | 89.8 | 44% | 0.435 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -65.4 | -43.9 | 174.9 | -169.1 | 173.9 | -166.4 | 0 | 0 | 110.9 | A151 E152 Q157 K158 W159 | A151-E155 PolarHBondContact O-N 3.37Å; E152-E155 PolarHBondContact O-N 3.02Å; E155-Q157 PolarHBondContact O-N 2.98Å; E155-K158 PolarHBondContact O-N 3.34Å; E155-W159 PolarHBondContact O-N 3.09Å; E155-W159 VanDerWaalsContact O-N 3.13Å |
| 156 | L | 82 | Confident | 83.9 | Confident | 22 Ų | 22 | 88 Ų | 88 | 12% | 0.115 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -62.3 | -42.1 | 175.4 | -176.2 | 61.5 | 0 | 0 | 0 | 112.2 | V137 C140 L141 L148 E152 L153 W159 L160 | V137-L156 HydrophobicContact CG1-CD1 4.33Å; C140-L156 HydrophobicContact CB-CD1 4.05Å; C140-L156 HydrophobicContact CB-CD2 4.35Å; L141-L156 HydrophobicContact CD2-CD1 3.75Å; L141-L156 HydrophobicContact CG-CD1 3.86Å; L148-L156 HydrophobicContact CD2-CD2 4.21Å; E152-L156 WeakPolarHBondContact O-CB 3.45Å; E152-L156 PolarHBondContact O-N 3.24Å; L153-L156 PolarHBondContact O-N 3.33Å; L156-W159 PolarHBondContact O-N 3.01Å; L156-L160 HydrophobicContact CG-CD1 4.24Å; L156-L160 WeakPolarHBondContact O-CG 3.41Å; L156-L160 PolarHBondContact O-N 2.92Å |
| 157 | Q | 85.2 | Confident | 85 | Confident | 104 Ų | 104 | 83 Ų | 83 | 49% | 0.486 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -58.5 | -52.5 | 175.2 | -179.5 | -168 | -7.4 | 0 | 0 | 111.4 | L153 Q154 E155 W159 L160 E161 | L153-Q157 WeakPolarHBondContact O-CB 3.35Å; L153-Q157 PolarHBondContact O-N 2.96Å; Q154-Q157 PolarHBondContact O-N 3.38Å; E155-Q157 PolarHBondContact O-N 2.98Å; Q157-W159 PolarHBondContact O-N 2.97Å; Q157-L160 PolarHBondContact O-N 3.35Å; Q157-L160 VanDerWaalsContact O-N 3.14Å; Q157-E161 WeakPolarHBondContact CG-OE1 3.41Å; Q157-E161 PolarHBondContact NE2-OE1 3.29Å; Q157-E161 WeakPolarHBondContact O-CG 3.35Å; Q157-E161 PolarHBondContact O-N 3.05Å |
| 158 | K | 88 | Confident | 85.9 | Confident | 158 Ų | 158 | 81.1 Ų | 81.1 | 69% | 0.687 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -57 | -38.3 | 179.9 | -79.8 | -177.7 | 178 | 178.1 | 0 | 112 | Q154 E155 A162 | Q154-K158 PolarHBondContact O-N 3.32Å; Q154-K158 VanDerWaalsContact O-N 3.09Å; E155-K158 PolarHBondContact O-N 3.34Å; K158-A162 PolarHBondContact O-N 3.19Å; K158-A162 VanDerWaalsContact O-N 3.11Å |
| 159 | W | 84.1 | Confident | 87 | Confident | 106 Ų | 106 | 86.1 Ų | 86.1 | 40% | 0.402 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -70.1 | -43.1 | 177.7 | -173.3 | 91.3 | 0 | 0 | 0 | 112.5 | V137 L141 E155 L156 Q157 E161 A162 V163 | V137-W159 HydrophobicContact CG1-CB 4.16Å; V137-W159 HydrophobicContact CG1-CD2 3.42Å; V137-W159 VanDerWaalsContact CG1-CD2 3.42Å; V137-W159 HydrophobicContact CG1-CE3 3.74Å; V137-W159 HydrophobicContact CG1-CG 3.6Å; V137-W159 HydrophobicContact CG1-CH2 4.48Å; V137-W159 HydrophobicContact CG1-CZ2 4.24Å; V137-W159 HydrophobicContact CG1-CZ3 4.27Å; V137-W159 HydrophobicContact CG2-CG 4.3Å; L141-W159 HydrophobicContact CD1-CH2 4.17Å; L141-W159 HydrophobicContact CD1-CZ3 3.83Å; E155-W159 PolarHBondContact O-N 3.09Å; E155-W159 VanDerWaalsContact O-N 3.13Å; L156-W159 PolarHBondContact O-N 3.01Å; Q157-W159 PolarHBondContact O-N 2.97Å; W159-E161 VanDerWaalsContact C-N 3.3Å; W159-E161 PolarHBondContact O-N 3.41Å; W159-A162 WeakPolarHBondContact O-CB 3.44Å; W159-A162 PolarHBondContact O-N 2.98Å; W159-A162 VanDerWaalsContact O-N 3.15Å; W159-V163 HydrophobicContact CD2-CG2 3.82Å; W159-V163 HydrophobicContact CE3-CG2 3.8Å; W159-V163 HydrophobicContact CH2-CG2 3.59Å; W159-V163 HydrophobicContact CZ2-CG2 3.59Å; W159-V163 HydrophobicContact CZ3-CB 4.49Å; W159-V163 HydrophobicContact CZ3-CG2 3.68Å; W159-V163 WeakPolarHBondContact O-CG2 3.41Å; W159-V163 PolarHBondContact O-N 3.4Å |
| 160 | L | 86 | Confident | 87.7 | Confident | 86 Ų | 86 | 89.7 Ų | 89.7 | 45% | 0.45 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -60.5 | -40.2 | 175.7 | -78.2 | 168.9 | 0 | 0 | 0 | 111.9 | L156 Q157 V163 D164 | L156-L160 HydrophobicContact CG-CD1 4.24Å; L156-L160 WeakPolarHBondContact O-CG 3.41Å; L156-L160 PolarHBondContact O-N 2.92Å; Q157-L160 PolarHBondContact O-N 3.35Å; Q157-L160 VanDerWaalsContact O-N 3.14Å; L160-V163 PolarHBondContact O-N 3.42Å; L160-D164 WeakPolarHBondContact O-CB 3.39Å; L160-D164 PolarHBondContact O-N 3.41Å |
| 161 | E | 90.8 | Very high | 88.1 | Confident | 110 Ų | 110 | 85.2 Ų | 85.2 | 51% | 0.514 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -62.8 | -40.6 | 174.2 | -72 | 172.5 | -177 | 0 | 0 | 111.9 | Q157 W159 D164 G165 | Q157-E161 WeakPolarHBondContact CG-OE1 3.41Å; Q157-E161 PolarHBondContact NE2-OE1 3.29Å; Q157-E161 WeakPolarHBondContact O-CG 3.35Å; Q157-E161 PolarHBondContact O-N 3.05Å; W159-E161 VanDerWaalsContact C-N 3.3Å; W159-E161 PolarHBondContact O-N 3.41Å; E161-D164 PolarHBondContact O-N 3.03Å; E161-G165 PolarHBondContact O-N 3.03Å |
| 162 | A | 90 | Very high | 88.7 | Confident | 64 Ų | 64 | 86.8 Ų | 86.8 | 53% | 0.529 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -65.4 | -41.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | K158 W159 G165 A166 | K158-A162 PolarHBondContact O-N 3.19Å; K158-A162 VanDerWaalsContact O-N 3.11Å; W159-A162 WeakPolarHBondContact O-CB 3.44Å; W159-A162 PolarHBondContact O-N 2.98Å; W159-A162 VanDerWaalsContact O-N 3.15Å; A162-G165 PolarHBondContact O-N 3.43Å; A162-A166 PolarHBondContact O-N 2.88Å |
| 163 | V | 87.6 | Confident | 89.4 | Confident | 54 Ų | 54 | 88.6 Ų | 88.6 | 33% | 0.327 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -65.4 | -44.3 | 176.3 | 171.4 | 0 | 0 | 0 | 0 | 111.2 | W159 L160 G165 A166 V167 | W159-V163 HydrophobicContact CD2-CG2 3.82Å; W159-V163 HydrophobicContact CE3-CG2 3.8Å; W159-V163 HydrophobicContact CH2-CG2 3.59Å; W159-V163 HydrophobicContact CZ2-CG2 3.59Å; W159-V163 HydrophobicContact CZ3-CB 4.49Å; W159-V163 HydrophobicContact CZ3-CG2 3.68Å; W159-V163 WeakPolarHBondContact O-CG2 3.41Å; W159-V163 PolarHBondContact O-N 3.4Å; L160-V163 PolarHBondContact O-N 3.42Å; V163-G165 VanDerWaalsContact C-N 3.31Å; V163-G165 PolarHBondContact O-N 3.44Å; V163-A166 PolarHBondContact O-N 3.11Å; V163-V167 HydrophobicContact CG1-CG2 4.33Å; V163-V167 VanDerWaalsContact O-CG2 3.31Å; V163-V167 WeakPolarHBondContact O-CG2 3.41Å; V163-V167 PolarHBondContact O-N 3.18Å |
| 164 | D | 90.5 | Very high | 89.9 | Confident | 76 Ų | 76 | 89.5 Ų | 89.5 | 41% | 0.406 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -59 | -43 | 175.1 | 177.6 | 61 | 0 | 0 | 0 | 111.5 | L160 E161 V167 K168 | L160-D164 WeakPolarHBondContact O-CB 3.39Å; L160-D164 PolarHBondContact O-N 3.41Å; E161-D164 PolarHBondContact O-N 3.03Å; D164-V167 PolarHBondContact O-N 2.93Å; D164-K168 WeakPolarHBondContact O-CB 3.38Å; D164-K168 VanDerWaalsContact O-CG 3.3Å; D164-K168 WeakPolarHBondContact O-CG 3.31Å; D164-K168 PolarHBondContact O-N 2.91Å; D164-K168 WeakPolarHBondContact OD1-CE 3.41Å; D164-K168 IonicContact OD1-NZ 2.66Å; D164-K168 WeakPolarHBondContact OD2-CE 3.47Å; D164-K168 IonicContact OD2-NZ 2.71Å; D164-K168 PolarHBondContact OD2-NZ 2.88Å |
| 165 | G | 94.1 | Very high | 90.2 | Very high | 36 Ų | 36 | 89.9 Ų | 89.9 | 37% | 0.371 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -58.2 | -48 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | E161 A162 V163 V167 K168 E169 | E161-G165 PolarHBondContact O-N 3.03Å; A162-G165 PolarHBondContact O-N 3.43Å; V163-G165 VanDerWaalsContact C-N 3.31Å; V163-G165 PolarHBondContact O-N 3.44Å; G165-V167 PolarHBondContact O-N 3.38Å; G165-K168 PolarHBondContact O-N 3.44Å; G165-E169 PolarHBondContact O-N 3.21Å |
| 166 | A | 93 | Very high | 90.5 | Very high | 56 Ų | 56 | 88.3 Ų | 88.3 | 46% | 0.463 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -65 | -39.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | A162 V163 E169 K170 | A162-A166 PolarHBondContact O-N 2.88Å; V163-A166 PolarHBondContact O-N 3.11Å; A166-E169 PolarHBondContact O-N 2.88Å; A166-K170 WeakPolarHBondContact O-CB 3.46Å; A166-K170 PolarHBondContact O-N 3.49Å |
| 167 | V | 93.7 | Very high | 90.9 | Very high | 90 Ų | 90 | 91.6 Ų | 91.6 | 55% | 0.545 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.8 | -45.4 | 175.1 | 171 | 0 | 0 | 0 | 0 | 110.5 | V163 D164 G165 E169 K170 A171 | V163-V167 HydrophobicContact CG1-CG2 4.33Å; V163-V167 VanDerWaalsContact O-CG2 3.31Å; V163-V167 WeakPolarHBondContact O-CG2 3.41Å; V163-V167 PolarHBondContact O-N 3.18Å; D164-V167 PolarHBondContact O-N 2.93Å; G165-V167 PolarHBondContact O-N 3.38Å; V167-E169 PolarHBondContact O-N 3.43Å; V167-K170 PolarHBondContact O-N 3.39Å; V167-A171 WeakPolarHBondContact O-CB 3.46Å; V167-A171 PolarHBondContact O-N 3.25Å |
| 168 | K | 95.3 | Very high | 91 | Very high | 115 Ų | 115 | 88.6 Ų | 88.6 | 50% | 0.5 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -60.3 | -43.9 | 176.1 | -75.3 | 169.2 | 177.1 | 168.8 | 0 | 112.1 | D164 G165 A171 N172 | D164-K168 WeakPolarHBondContact O-CB 3.38Å; D164-K168 VanDerWaalsContact O-CG 3.3Å; D164-K168 WeakPolarHBondContact O-CG 3.31Å; D164-K168 PolarHBondContact O-N 2.91Å; D164-K168 WeakPolarHBondContact OD1-CE 3.41Å; D164-K168 IonicContact OD1-NZ 2.66Å; D164-K168 WeakPolarHBondContact OD2-CE 3.47Å; D164-K168 IonicContact OD2-NZ 2.71Å; D164-K168 PolarHBondContact OD2-NZ 2.88Å; G165-K168 PolarHBondContact O-N 3.44Å; K168-A171 PolarHBondContact O-N 3.31Å; K168-N172 WeakPolarHBondContact O-CB 3.37Å; K168-N172 VanDerWaalsContact O-CG 3.22Å; K168-N172 PolarHBondContact O-N 3.39Å; K168-N172 PolarHBondContact O-ND2 2.97Å |
| 169 | E | 94.3 | Very high | 91 | Very high | 131 Ų | 131 | 90 Ų | 90 | 61% | 0.612 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -61.1 | -47.9 | 175.8 | -170.6 | -165.4 | 146.7 | 0 | 0 | 111.5 | G165 A166 V167 A171 N172 R173 | G165-E169 PolarHBondContact O-N 3.21Å; A166-E169 PolarHBondContact O-N 2.88Å; V167-E169 PolarHBondContact O-N 3.43Å; E169-A171 VanDerWaalsContact C-N 3.32Å; E169-A171 PolarHBondContact O-N 3.36Å; E169-N172 PolarHBondContact O-N 3.01Å; E169-R173 PolarHBondContact O-N 3.48Å |
| 170 | K | 94.3 | Very high | 91 | Very high | 112 Ų | 112 | 87.6 Ų | 87.6 | 49% | 0.487 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -60.4 | -42.5 | 178.4 | -162.3 | 90.4 | 175.3 | -158.5 | 0 | 111.5 | A166 V167 R173 I174 | A166-K170 WeakPolarHBondContact O-CB 3.46Å; A166-K170 PolarHBondContact O-N 3.49Å; V167-K170 PolarHBondContact O-N 3.39Å; K170-R173 PolarHBondContact O-N 2.9Å; K170-I174 HydrophobicContact CG-CD1 4.41Å; K170-I174 WeakPolarHBondContact O-CG1 3.39Å; K170-I174 PolarHBondContact O-N 2.89Å |
| 171 | A | 92.5 | Very high | 90.7 | Very high | 43 Ų | 43 | 92.5 Ų | 92.5 | 36% | 0.355 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.2 | -46 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | V167 K168 E169 R173 I174 L175 | V167-A171 WeakPolarHBondContact O-CB 3.46Å; V167-A171 PolarHBondContact O-N 3.25Å; K168-A171 PolarHBondContact O-N 3.31Å; E169-A171 VanDerWaalsContact C-N 3.32Å; E169-A171 PolarHBondContact O-N 3.36Å; A171-R173 VanDerWaalsContact C-N 3.29Å; A171-R173 PolarHBondContact O-N 2.9Å; A171-I174 PolarHBondContact O-N 3.41Å; A171-L175 WeakPolarHBondContact O-CG 3.36Å; A171-L175 PolarHBondContact O-N 2.91Å |
| 172 | N | 94.4 | Very high | 89.7 | Confident | 104 Ų | 104 | 94.3 Ų | 94.3 | 56% | 0.556 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -60.4 | -39.8 | 176 | -73.5 | -23.6 | 0 | 0 | 0 | 111.9 | K168 E169 L175 A176 | K168-N172 WeakPolarHBondContact O-CB 3.37Å; K168-N172 VanDerWaalsContact O-CG 3.22Å; K168-N172 PolarHBondContact O-N 3.39Å; K168-N172 PolarHBondContact O-ND2 2.97Å; E169-N172 PolarHBondContact O-N 3.01Å; N172-L175 PolarHBondContact O-N 3.49Å; N172-A176 WeakPolarHBondContact O-CB 3.3Å; N172-A176 PolarHBondContact O-N 3.43Å |
| 173 | R | 93.5 | Very high | 88.5 | Confident | 112 Ų | 112 | 96.2 Ų | 96.2 | 42% | 0.423 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.8 | -46 | 175.7 | -167.7 | 179.3 | 73.8 | -157.9 | 14.8 | 112.2 | E169 K170 A171 L175 A176 E177 | E169-R173 PolarHBondContact O-N 3.48Å; K170-R173 PolarHBondContact O-N 2.9Å; A171-R173 VanDerWaalsContact C-N 3.29Å; A171-R173 PolarHBondContact O-N 2.9Å; R173-L175 VanDerWaalsContact C-N 3.3Å; R173-L175 PolarHBondContact O-N 3.42Å; R173-A176 PolarHBondContact O-N 2.94Å; R173-E177 IonicContact NE-OE1 3.64Å; R173-E177 WeakPolarHBondContact O-CG 3.5Å; R173-E177 PolarHBondContact O-N 3.36Å |
| 174 | I | 91.8 | Very high | 87.1 | Confident | 98 Ų | 98 | 98 Ų | 98 | 50% | 0.503 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.7 | -42.2 | 176.6 | -68.9 | 166.7 | 0 | 0 | 0 | 110.6 | K170 A171 E177 A178 | K170-I174 HydrophobicContact CG-CD1 4.41Å; K170-I174 WeakPolarHBondContact O-CG1 3.39Å; K170-I174 PolarHBondContact O-N 2.89Å; A171-I174 PolarHBondContact O-N 3.41Å; I174-E177 PolarHBondContact O-N 3.15Å; I174-A178 WeakPolarHBondContact O-CB 3.45Å; I174-A178 PolarHBondContact O-N 3.42Å |
| 175 | L | 90.6 | Very high | 85.1 | Confident | 117 Ų | 117 | 105 Ų | 105 | 61% | 0.613 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -64.1 | -41.1 | 175.8 | -74.5 | 169.5 | 0 | 0 | 0 | 112.2 | A171 N172 R173 A178 R179 | A171-L175 WeakPolarHBondContact O-CG 3.36Å; A171-L175 PolarHBondContact O-N 2.91Å; N172-L175 PolarHBondContact O-N 3.49Å; R173-L175 VanDerWaalsContact C-N 3.3Å; R173-L175 PolarHBondContact O-N 3.42Å; L175-A178 PolarHBondContact O-N 3.22Å; L175-R179 WeakPolarHBondContact O-CB 3.18Å; L175-R179 PolarHBondContact O-N 2.62Å |
| 176 | A | 89.3 | Confident | 82.6 | Confident | 60 Ų | 60 | 105.6 Ų | 105.6 | 50% | 0.496 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -65.1 | -43.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | N172 R173 R179 A180 | N172-A176 WeakPolarHBondContact O-CB 3.3Å; N172-A176 PolarHBondContact O-N 3.43Å; R173-A176 PolarHBondContact O-N 2.94Å; A176-R179 PolarHBondContact O-N 3.31Å; A176-A180 WeakPolarHBondContact O-CB 3.39Å; A176-A180 PolarHBondContact O-N 3.28Å |
| 177 | E | 90.4 | Very high | 80.4 | Confident | 91 Ų | 91 | 108.7 Ų | 108.7 | 43% | 0.425 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -62.1 | -42.3 | 174.8 | -73.5 | 174.8 | -157.7 | 0 | 0 | 111.6 | R173 I174 A180 R181 | R173-E177 IonicContact NE-OE1 3.64Å; R173-E177 WeakPolarHBondContact O-CG 3.5Å; R173-E177 PolarHBondContact O-N 3.36Å; I174-E177 PolarHBondContact O-N 3.15Å; E177-A180 PolarHBondContact O-N 3.26Å; E177-R181 VanDerWaalsContact O-CG 3.31Å; E177-R181 WeakPolarHBondContact O-CG 3.43Å; E177-R181 PolarHBondContact O-N 3.45Å |
| 178 | A | 87.3 | Confident | 78 | Confident | 41 Ų | 41 | 109.4 Ų | 109.4 | 34% | 0.339 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -63.4 | -41.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | I174 L175 R181 Q182 | I174-A178 WeakPolarHBondContact O-CB 3.45Å; I174-A178 PolarHBondContact O-N 3.42Å; L175-A178 PolarHBondContact O-N 3.22Å; A178-R181 PolarHBondContact O-N 2.88Å; A178-Q182 WeakPolarHBondContact O-CG 3.44Å; A178-Q182 PolarHBondContact O-N 3.27Å |
| 179 | R | 87.4 | Confident | 75.5 | Confident | 188 Ų | 188 | 111.6 Ų | 111.6 | 71% | 0.709 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -65.8 | -43.3 | 176.5 | -168.5 | 174.4 | -176.4 | 159.4 | 0.8 | 111.8 | L175 A176 R181 Q182 T183 | L175-R179 WeakPolarHBondContact O-CB 3.18Å; L175-R179 PolarHBondContact O-N 2.62Å; A176-R179 PolarHBondContact O-N 3.31Å; R179-R181 VanDerWaalsContact C-N 3.31Å; R179-R181 PolarHBondContact O-N 2.95Å; R179-Q182 PolarHBondContact O-N 2.98Å; R179-Q182 VanDerWaalsContact O-N 3.11Å; R179-T183 PolarHBondContact O-N 3.24Å; R179-T183 PolarHBondContact O-OG1 2.98Å |
| 180 | A | 83.4 | Confident | 73.5 | Confident | 56 Ų | 56 | 111.1 Ų | 111.1 | 46% | 0.463 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -60.4 | -39.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | A176 E177 Q182 T183 A184 | A176-A180 WeakPolarHBondContact O-CB 3.39Å; A176-A180 PolarHBondContact O-N 3.28Å; E177-A180 PolarHBondContact O-N 3.26Å; A180-Q182 VanDerWaalsContact C-N 3.31Å; A180-Q182 PolarHBondContact O-N 3.38Å; A180-T183 WeakPolarHBondContact CA-OG1 3.42Å; A180-T183 PolarHBondContact O-N 2.95Å; A180-T183 PolarHBondContact O-OG1 2.92Å; A180-A184 WeakPolarHBondContact O-CB 3.45Å; A180-A184 PolarHBondContact O-N 3.14Å |
| 181 | R | 81.6 | Confident | 71 | Confident | 188 Ų | 188 | 111.2 Ų | 111.2 | 71% | 0.709 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -64.2 | -33.3 | 174.7 | -74.4 | 175.4 | -177.4 | -173 | 3.2 | 113 | E177 A178 R179 | E177-R181 VanDerWaalsContact O-CG 3.31Å; E177-R181 WeakPolarHBondContact O-CG 3.43Å; E177-R181 PolarHBondContact O-N 3.45Å; A178-R181 PolarHBondContact O-N 2.88Å; R179-R181 VanDerWaalsContact C-N 3.31Å; R179-R181 PolarHBondContact O-N 2.95Å |
| 182 | Q | 69 | Low | 68.6 | Low | 148 Ų | 148 | 118.3 Ų | 118.3 | 69% | 0.692 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -73.4 | -40.1 | 175.7 | -69.2 | 176.8 | 20.7 | 0 | 0 | 111.7 | A178 R179 A180 R185 | A178-Q182 WeakPolarHBondContact O-CG 3.44Å; A178-Q182 PolarHBondContact O-N 3.27Å; R179-Q182 PolarHBondContact O-N 2.98Å; R179-Q182 VanDerWaalsContact O-N 3.11Å; A180-Q182 VanDerWaalsContact C-N 3.31Å; A180-Q182 PolarHBondContact O-N 3.38Å; Q182-R185 PolarHBondContact O-N 2.97Å |
| 183 | T | 64 | Low | 66.5 | Low | 105 Ų | 105 | 118.9 Ų | 118.9 | 64% | 0.644 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -74.4 | -26 | 178.7 | 46.4 | 0 | 0 | 0 | 0 | 114.1 | R179 A180 R185 | R179-T183 PolarHBondContact O-N 3.24Å; R179-T183 PolarHBondContact O-OG1 2.98Å; A180-T183 WeakPolarHBondContact CA-OG1 3.42Å; A180-T183 PolarHBondContact O-N 2.95Å; A180-T183 PolarHBondContact O-OG1 2.92Å; T183-R185 PolarHBondContact O-N 3.11Å |
| 184 | A | 58 | Low | 64.2 | Low | 90 Ų | 90 | 119.3 Ų | 119.3 | 74% | 0.744 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.3 | -15.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113 | A180 G186 | A180-A184 WeakPolarHBondContact O-CB 3.45Å; A180-A184 PolarHBondContact O-N 3.14Å; A184-G186 VanDerWaalsContact C-N 3.34Å; A184-G186 PolarHBondContact O-N 2.96Å |
| 185 | R | 48.6 | Very low | 61.7 | Low | 224 Ų | 224 | 123.5 Ų | 123.5 | 85% | 0.845 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -94.6 | 66.6 | 172.2 | -140.3 | 177.9 | -170.6 | -178.3 | 1.8 | 108.7 | Q182 T183 | Q182-R185 PolarHBondContact O-N 2.97Å; T183-R185 PolarHBondContact O-N 3.11Å |
| 186 | G | 43.2 | Very low | 59.6 | Low | 48 Ų | 48 | 127.5 Ų | 127.5 | 50% | 0.495 | 70% | 0.7 | S | S | . | * | trans | -56 | 155.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | A184 S188 | A184-G186 VanDerWaalsContact C-N 3.34Å; A184-G186 PolarHBondContact O-N 2.96Å; G186-S188 PolarHBondContact O-N 3.42Å | ||
| 187 | P | 46.7 | Very low | 57.4 | Low | 121 Ų | 121 | 132.9 Ų | 132.9 | 79% | 0.786 | 72% | 0.717 | S | S | * | * | trans | -65.1 | 109.4 | -174.2 | 28 | -31.4 | 0 | 0 | 0 | 108.8 | L189 | P187-L189 PolarHBondContact O-N 3.05Š| ||
| 188 | S | 42.9 | Very low | 55.2 | Low | 106 Ų | 106 | 135.8 Ų | 135.8 | 74% | 0.741 | 74% | 0.735 | S | S | * | * | trans | -68.6 | 100.6 | 171.5 | -177.3 | 0 | 0 | 0 | 0 | 107.7 | G186 V190 | G186-S188 PolarHBondContact O-N 3.42Å; S188-V190 PolarHBondContact O-N 2.92Å; S188-V190 VanDerWaalsContact O-N 3.15Å | ||
| 189 | L | 42.5 | Very low | 52.9 | Low | 160 Ų | 160 | 141.1 Ų | 141.1 | 84% | 0.838 | 76% | 0.756 | S | S | * | * | trans | -57.2 | 109.9 | 162.4 | -94.8 | 91.4 | 0 | 0 | 0 | 107.6 | P187 | P187-L189 PolarHBondContact O-N 3.05Š| ||
| 190 | V | 51.6 | Low | 50.8 | Low | 121 Ų | 121 | 136.4 Ų | 136.4 | 73% | 0.733 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -87.2 | 120.5 | 167.5 | -167.3 | 0 | 0 | 0 | 0 | 107.4 | S188 | S188-V190 PolarHBondContact O-N 2.92Å; S188-V190 VanDerWaalsContact O-N 3.15Å |
| 191 | P | 42.5 | Very low | 48.9 | Very low | 114 Ų | 114 | 139.1 Ų | 139.1 | 74% | 0.74 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 131.3 | 175.4 | -13.5 | 28.3 | 0 | 0 | 0 | 110.5 | ||
| 192 | Q | 42.1 | Very low | 47.2 | Very low | 192 Ų | 192 | 135.8 Ų | 135.8 | 90% | 0.897 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 131.4 | 172.5 | -69.9 | -174 | 3.7 | 0 | 0 | 110.6 | ||
| 193 | P | 49.9 | Very low | 46 | Very low | 116 Ų | 116 | 133.6 Ų | 133.6 | 75% | 0.753 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 154.9 | 167.7 | 32 | -30.6 | 0 | 0 | 0 | 111.8 | ||
| 194 | P | 44.7 | Very low | 45.2 | Very low | 121 Ų | 121 | 139.3 Ų | 139.3 | 79% | 0.786 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 144.5 | -165.4 | 31.6 | -33.8 | 0 | 0 | 0 | 113.3 | ||
| 195 | M | 41.2 | Very low | 44.9 | Very low | 187 Ų | 187 | 142.6 Ų | 142.6 | 92% | 0.921 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 121 | 171.6 | 47.1 | -126.7 | -102.2 | 0 | 0 | 114.5 | ||
| 196 | E | 45.7 | Very low | 44.9 | Very low | 200 Ų | 200 | 137.4 Ų | 137.4 | 94% | 0.935 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -99 | 147.5 | 158.5 | -85.2 | -168.7 | 157.6 | 0 | 0 | 111.1 | ||
| 197 | M | 42.4 | Very low | 45.2 | Very low | 174 Ų | 174 | 142.8 Ų | 142.8 | 86% | 0.857 | 79% | 0.785 | S | S | * | * | trans | -111.6 | 118.8 | -154.9 | -176.5 | -171.5 | -49.6 | 0 | 0 | 108.9 | ||||
| 198 | D | 43.8 | Very low | 45.4 | Very low | 151 Ų | 151 | 142.9 Ų | 142.9 | 81% | 0.807 | 79% | 0.789 | S | S | * | * | trans | -140.8 | 96.5 | 162.1 | -100.7 | -41.2 | 0 | 0 | 0 | 111.8 | ||||
| 199 | I | 40.8 | Very low | 45.4 | Very low | 154 Ų | 154 | 141.1 Ų | 141.1 | 79% | 0.79 | 79% | 0.787 | S | S | * | * | trans | 10.2 | 105.5 | 135.1 | 22.9 | 173.7 | 0 | 0 | 0 | 118 | ||||
| 200 | A | 42.9 | Very low | 45.5 | Very low | 88 Ų | 88 | 139.9 Ų | 139.9 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | 170.7 | 120.2 | 115 | 0 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 201 | S | 43.5 | Very low | 45.2 | Very low | 114 Ų | 114 | 144.9 Ų | 144.9 | 80% | 0.797 | 79% | 0.792 | S | S | * | * | 46.2 | 132.8 | 129.3 | -60.4 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 202 | T | 45.1 | Very low | 45.3 | Very low | 118 Ų | 118 | 146.8 Ų | 146.8 | 72% | 0.724 | 79% | 0.79 | S | S | * | * | cis | -175.3 | 158.6 | 4.1 | -65.1 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 203 | S | 44.5 | Very low | 45.3 | Very low | 102 Ų | 102 | 144.7 Ų | 144.7 | 71% | 0.713 | 78% | 0.784 | S | S | * | * | trans | 99.9 | 87.4 | 160.1 | -140.6 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 204 | R | 47.3 | Very low | 44.7 | Very low | 224 Ų | 224 | 142.3 Ų | 142.3 | 85% | 0.845 | 78% | 0.781 | S | S | * | * | 62.7 | 113.2 | 79.4 | -64.4 | -170.9 | -162.2 | -173.1 | 7 | 113.5 | |||||
| 205 | H | 50.1 | Low | 44.9 | Very low | 160 Ų | 160 | 140.9 Ų | 140.9 | 74% | 0.741 | 78% | 0.779 | S | S | * | * | 169.5 | 107.8 | 110.8 | -151.5 | 65.3 | 0 | 0 | 0 | 108.6 | |||||
| 206 | L | 48.7 | Very low | 44.7 | Very low | 114 Ų | 114 | 139.8 Ų | 139.8 | 60% | 0.597 | 78% | 0.777 | S | S | * | * | 60.1 | 136.3 | 108 | -89.1 | 76.7 | 0 | 0 | 0 | 113.7 | |||||
| 207 | Q | 50.4 | Low | 44.7 | Very low | 161 Ų | 161 | 135.9 Ų | 135.9 | 75% | 0.752 | 77% | 0.771 | S | S | * | * | cis | -176.3 | 152.4 | 12 | -132.3 | 164.9 | 22.1 | 0 | 0 | 107.4 | ||||
| 208 | S | 50.2 | Low | 44.6 | Very low | 124 Ų | 124 | 134.6 Ų | 134.6 | 87% | 0.867 | 77% | 0.773 | S | S | * | * | trans | 68.3 | 137.7 | 144 | -164.7 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 209 | G | 43.2 | Very low | 44.5 | Very low | 68 Ų | 68 | 131.4 Ų | 131.4 | 70% | 0.701 | 77% | 0.768 | S | S | * | * | cis | -175 | 160.9 | 14.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 210 | T | 44.8 | Very low | 44.3 | Very low | 134 Ų | 134 | 132.8 Ų | 132.8 | 82% | 0.822 | 78% | 0.776 | S | S | * | * | trans | -86.4 | 170.4 | -169.2 | -41.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 211 | R | 45 | Very low | 44.2 | Very low | 227 Ų | 227 | 133.9 Ų | 133.9 | 86% | 0.857 | 78% | 0.778 | S | S | * | * | trans | 99.4 | 143.7 | 159 | -54.9 | 178.1 | -179.8 | -171.5 | -0 | 113.6 | ||||
| 212 | H | 44.6 | Very low | 43.9 | Very low | 153 Ų | 153 | 138.5 Ų | 138.5 | 71% | 0.708 | 78% | 0.784 | S | S | * | * | cis | -167.8 | 142.2 | 4.5 | -145.8 | -115.9 | 0 | 0 | 0 | 107.9 | ||||
| 213 | I | 43.5 | Very low | 43.8 | Very low | 149 Ų | 149 | 137.5 Ų | 137.5 | 76% | 0.764 | 79% | 0.788 | S | S | * | * | trans | 30.3 | 132.9 | 135.7 | -48.1 | -171.5 | 0 | 0 | 0 | 121.1 | ||||
| 214 | G | 36.8 | Very low | 43.7 | Very low | 66 Ų | 66 | 135 Ų | 135 | 68% | 0.68 | 78% | 0.778 | S | S | * | * | trans | 142.3 | 93.1 | 149 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 215 | A | 48.3 | Very low | 43.8 | Very low | 91 Ų | 91 | 130.6 Ų | 130.6 | 75% | 0.752 | 78% | 0.779 | S | S | * | * | 94.5 | 118.4 | 92.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 216 | D | 37.3 | Very low | 43.3 | Very low | 163 Ų | 163 | 128.4 Ų | 128.4 | 87% | 0.872 | 78% | 0.781 | S | S | * | * | trans | 48.2 | 109.7 | 144.6 | -51.7 | -28.1 | 0 | 0 | 0 | 119.9 | ||||
| 217 | S | 46.2 | Very low | 43.1 | Very low | 118 Ų | 118 | 128.8 Ų | 128.8 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | -166.8 | 125.1 | 118.3 | -164.3 | 0 | 0 | 0 | 0 | 111.2 | A219 | S217-A219 PolarHBondContact O-N 3.47Š| |||
| 218 | V | 40.2 | Very low | 42.7 | Very low | 147 Ų | 147 | 126.7 Ų | 126.7 | 89% | 0.891 | 80% | 0.797 | S | S | * | * | trans | -72.6 | 113.6 | 171.7 | -80.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 219 | A | 41.6 | Very low | 42.2 | Very low | 85 Ų | 85 | 128.5 Ų | 128.5 | 70% | 0.702 | 80% | 0.797 | S | S | * | * | trans | -131.9 | 97.8 | 165.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | S217 S221 | S217-A219 PolarHBondContact O-N 3.47Å; A219-S221 PolarHBondContact O-N 3.39Å | ||
| 220 | L | 35.6 | Very low | 42.1 | Very low | 183 Ų | 183 | 132.9 Ų | 132.9 | 96% | 0.958 | 80% | 0.804 | S | S | * | * | trans | -66.4 | 109.2 | 164.9 | -75.9 | 163 | 0 | 0 | 0 | 107.7 | ||||
| 221 | S | 41.6 | Very low | 41.6 | Very low | 111 Ų | 111 | 130 Ų | 130 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | trans | -130.2 | 115.9 | 167.6 | -69.5 | 0 | 0 | 0 | 0 | 108.7 | A219 A223 | A219-S221 PolarHBondContact O-N 3.39Å; S221-A223 PolarHBondContact O-N 3.09Å | ||
| 222 | F | 36 | Very low | 40.9 | Very low | 210 Ų | 210 | 128.5 Ų | 128.5 | 92% | 0.921 | 80% | 0.801 | S | S | * | * | trans | -70.5 | 105.4 | -177.7 | -170.6 | -95.5 | 0 | 0 | 0 | 109.3 | ||||
| 223 | A | 43.1 | Very low | 40.9 | Very low | 98 Ų | 98 | 127.7 Ų | 127.7 | 81% | 0.81 | 81% | 0.806 | S | S | * | * | trans | -98.4 | 113.1 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109 | S221 | S221-A223 PolarHBondContact O-N 3.09Š| ||
| 224 | G | 42.4 | Very low | 40.4 | Very low | 49 Ų | 49 | 123.7 Ų | 123.7 | 51% | 0.505 | 80% | 0.802 | S | S | . | * | trans | -67.3 | 154.3 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | S226 | G224-S226 PolarHBondContact O-N 3.5Å; G224-S226 VanDerWaalsContact O-N 3.17Å | ||
| 225 | P | 50 | Low | 40.2 | Very low | 132 Ų | 132 | 124 Ų | 124 | 86% | 0.857 | 81% | 0.806 | S | S | * | * | trans | -73.8 | 112.3 | -177.1 | 28.9 | -30.9 | 0 | 0 | 0 | 110.4 | S227 | P225-S227 PolarHBondContact O-N 3.49Š| ||
| 226 | S | 39 | Very low | 39.4 | Very low | 113 Ų | 113 | 125.8 Ų | 125.8 | 79% | 0.79 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 123.6 | 158.8 | -79.2 | 0 | 0 | 0 | 0 | 108.9 | G224 S228 | G224-S226 PolarHBondContact O-N 3.5Å; G224-S226 VanDerWaalsContact O-N 3.17Å; S226-S228 PolarHBondContact O-N 3.34Å |
| 227 | S | 44.6 | Very low | 39.5 | Very low | 122 Ų | 122 | 123.5 Ų | 123.5 | 85% | 0.853 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 122.9 | 168.5 | -73.5 | 0 | 0 | 0 | 0 | 109.5 | P225 N229 | P225-S227 PolarHBondContact O-N 3.49Å; S227-N229 PolarHBondContact O-N 2.89Å |
| 228 | S | 42.6 | Very low | 39.1 | Very low | 118 Ų | 118 | 126.1 Ų | 126.1 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 121 | 178.2 | -57 | 0 | 0 | 0 | 0 | 112.3 | S226 | S226-S228 PolarHBondContact O-N 3.34Š|
| 229 | N | 39.6 | Very low | 38.9 | Very low | 161 Ų | 161 | 125.6 Ų | 125.6 | 86% | 0.861 | 80% | 0.802 | S | S | * | * | trans | -80.4 | 111.8 | 155.7 | -94.5 | -21.5 | 0 | 0 | 0 | 108.6 | S227 | S227-N229 PolarHBondContact O-N 2.89Š| ||
| 230 | N | 41 | Very low | 38.7 | Very low | 160 Ų | 160 | 129.1 Ų | 129.1 | 86% | 0.856 | 80% | 0.804 | S | S | * | * | trans | -103 | 120.3 | 144.2 | -83.4 | 6 | 0 | 0 | 0 | 104.3 | ||||
| 231 | G | 34.5 | Very low | 38.6 | Very low | 73 Ų | 73 | 126.8 Ų | 126.8 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | cis | 87.8 | 67 | 46.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 232 | F | 31.2 | Very low | 38.7 | Very low | 197 Ų | 197 | 125.2 Ų | 125.2 | 86% | 0.864 | 78% | 0.78 | S | S | * | * | trans | -146.6 | 122.1 | 155 | -166.6 | -109 | 0 | 0 | 0 | 110.5 | ||||
| 233 | V | 44.2 | Very low | 38.8 | Very low | 135 Ų | 135 | 120.6 Ų | 120.6 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | trans | -101.7 | 136 | -177.6 | 177.8 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 234 | G | 32.1 | Very low | 38.7 | Very low | 66 Ų | 66 | 120.1 Ų | 120.1 | 68% | 0.68 | 75% | 0.748 | S | S | * | * | trans | 113.7 | 122.1 | 152.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 235 | G | 32.3 | Very low | 38.9 | Very low | 73 Ų | 73 | 119.4 Ų | 119.4 | 75% | 0.753 | 73% | 0.732 | S | S | * | * | trans | 119.6 | 94.8 | 158.1 | 0 | 0 | 0 | 0 | 0 | 114 | P237 | G235-P237 WeakPolarHBondContact O-CD 3.39Š| ||
| 236 | S | 32.4 | Very low | 38.5 | Very low | 128 Ų | 128 | 117 Ų | 117 | 90% | 0.895 | 71% | 0.714 | S | S | * | * | trans | -53.3 | 140.9 | 154.6 | -63.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 237 | P | 40.1 | Very low | 38.7 | Very low | 115 Ų | 115 | 113.5 Ų | 113.5 | 75% | 0.747 | 69% | 0.69 | S | S | * | * | trans | -132.4 | 156.5 | 133 | 26.5 | -8.7 | 0 | 0 | 0 | 111.9 | G235 | G235-P237 WeakPolarHBondContact O-CD 3.39Š| ||
| 238 | E | 36.9 | Very low | 38.2 | Very low | 173 Ų | 173 | 111.1 Ų | 111.1 | 81% | 0.808 | 69% | 0.685 | S | S | * | * | trans | -53.1 | 155.7 | -172.1 | -61.6 | -178.1 | 108.7 | 0 | 0 | 114.2 | H240 | E238-H240 PolarHBondContact O-N 2.99Š| ||
| 239 | V | 37.2 | Very low | 37.8 | Very low | 135 Ų | 135 | 108.3 Ų | 108.3 | 82% | 0.818 | 67% | 0.674 | S | S | * | * | trans | -59 | 95.8 | 171.6 | 179 | 0 | 0 | 0 | 0 | 108.4 | D241 | V239-D241 PolarHBondContact O-N 3.13Š| ||
| 240 | H | 37.4 | Very low | 37.4 | Very low | 160 Ų | 160 | 111.1 Ų | 111.1 | 74% | 0.741 | 67% | 0.673 | S | S | * | * | trans | -72.5 | 118.1 | 169.2 | -87.6 | -76.7 | 0 | 0 | 0 | 109.3 | E238 | E238-H240 PolarHBondContact O-N 2.99Š| ||
| 241 | D | 32.3 | Very low | 36.8 | Very low | 133 Ų | 133 | 112 Ų | 112 | 71% | 0.711 | 68% | 0.677 | S | S | * | * | trans | -53.4 | 145.7 | 169.8 | -80.6 | -42.5 | 0 | 0 | 0 | 111.1 | V239 L243 | V239-D241 PolarHBondContact O-N 3.13Å; D241-L243 PolarHBondContact O-N 3.23Å | ||
| 242 | P | 43.3 | Very low | 36.8 | Very low | 78 Ų | 78 | 115.4 Ų | 115.4 | 51% | 0.506 | 67% | 0.673 | S | S | . | * | trans | -61.3 | 110.1 | 174.1 | 26 | -32.7 | 0 | 0 | 0 | 109.2 | L244 | P242-L244 PolarHBondContact O-N 3.11Å; P242-L244 VanDerWaalsContact O-N 3.1Å | ||
| 243 | L | 38.4 | Very low | 36.8 | Very low | 114 Ų | 114 | 113.3 Ų | 113.3 | 60% | 0.597 | 67% | 0.671 | S | S | * | * | trans | -72.6 | 104.5 | 174.9 | -148.9 | 98.9 | 0 | 0 | 0 | 108.1 | D241 I245 | D241-L243 PolarHBondContact O-N 3.23Å; L243-I245 HydrophobicContact CD2-CD1 3.61Å; L243-I245 HydrophobicContact CD2-CG1 3.57Å; L243-I245 HydrophobicContact CG-CG1 4.32Å | ||
| 244 | L | 41.9 | Very low | 36.4 | Very low | 88 Ų | 88 | 113.8 Ų | 113.8 | 46% | 0.461 | 67% | 0.674 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -91.6 | 106.1 | 170 | -155.6 | 97.2 | 0 | 0 | 0 | 107.6 | L28 P242 V246 | L28-L244 HydrophobicContact CD1-CD1 3.69Å; P242-L244 PolarHBondContact O-N 3.11Å; P242-L244 VanDerWaalsContact O-N 3.1Å; L244-V246 HydrophobicContact CD2-CG2 3.77Å; L244-V246 HydrophobicContact CG-CG2 4.38Å |
| 245 | I | 46.1 | Very low | 36.7 | Very low | 34 Ų | 34 | 117.3 Ų | 117.3 | 17% | 0.174 | 69% | 0.686 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -94.8 | 111.7 | 174.4 | -57.1 | 177.3 | 0 | 0 | 0 | 107.6 | G44 F69 L243 | G44-I245 PolarHBondContact N-O 3.32Å; G44-I245 PolarHBondContact O-N 3.47Å; F69-I245 HydrophobicContact CB-CD1 4.5Å; F69-I245 HydrophobicContact CD1-CD1 4.11Å; F69-I245 HydrophobicContact CD2-CD1 3.95Å; F69-I245 HydrophobicContact CD2-CG2 3.9Å; F69-I245 HydrophobicContact CE1-CD1 4.3Å; F69-I245 HydrophobicContact CE2-CD1 4.15Å; F69-I245 HydrophobicContact CE2-CG2 4.36Å; F69-I245 HydrophobicContact CG-CD1 3.92Å; F69-I245 HydrophobicContact CZ-CD1 4.32Å; L243-I245 HydrophobicContact CD2-CD1 3.61Å; L243-I245 HydrophobicContact CD2-CG1 3.57Å; L243-I245 HydrophobicContact CG-CG1 4.32Å |
| 246 | V | 41.1 | Very low | 36.9 | Very low | 80 Ų | 80 | 116.6 Ų | 116.6 | 49% | 0.485 | 68% | 0.679 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -112 | 104 | 168.9 | -178.8 | 0 | 0 | 0 | 0 | 107.2 | L244 G248 | L244-V246 HydrophobicContact CD2-CG2 3.77Å; L244-V246 HydrophobicContact CG-CG2 4.38Å; V246-G248 PolarHBondContact O-N 3.23Å |
| 247 | S | 43.6 | Very low | 37.1 | Very low | 40 Ų | 40 | 119.2 Ų | 119.2 | 28% | 0.28 | 68% | 0.682 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -89.2 | 100.2 | 168.6 | -86.5 | 0 | 0 | 0 | 0 | 108.9 | G249 | S247-G249 PolarHBondContact O-N 3.03Å |
| 248 | G | 34.2 | Very low | 36.9 | Very low | 72 Ų | 72 | 117 Ų | 117 | 74% | 0.742 | 68% | 0.68 | S | S | * | * | trans | -70.6 | 109 | 174 | 0 | 0 | 0 | 0 | 0 | 111.4 | V246 | V246-G248 PolarHBondContact O-N 3.23Š| ||
| 249 | G | 34 | Very low | 37.1 | Very low | 59 Ų | 59 | 114.7 Ų | 114.7 | 61% | 0.608 | 68% | 0.683 | S | S | * | * | trans | -79.4 | 142.6 | 161.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | S247 | S247-G249 PolarHBondContact O-N 3.03Š| ||
| 250 | R | 32.1 | Very low | 37.2 | Very low | 221 Ų | 221 | 117.9 Ų | 117.9 | 83% | 0.834 | 69% | 0.686 | S | S | * | * | trans | -44.5 | 127.9 | -171.6 | -126.6 | 173.9 | -165.8 | -179.9 | 2.4 | 114.7 | Q252 | R250-Q252 PolarHBondContact O-N 2.81Š| ||
| 251 | L | 28.7 | Very low | 37.9 | Very low | 179 Ų | 179 | 116.1 Ų | 116.1 | 94% | 0.937 | 69% | 0.689 | S | S | * | * | trans | -80.3 | 83 | 167.3 | -168.3 | 85.4 | 0 | 0 | 0 | 109.7 | ||||
| 252 | Q | 33.7 | Very low | 38.3 | Very low | 143 Ų | 143 | 116.6 Ų | 116.6 | 67% | 0.668 | 69% | 0.691 | S | S | * | * | trans | -148.1 | 139.5 | 165.9 | -60 | -172.3 | 25.9 | 0 | 0 | 108.6 | R250 | R250-Q252 PolarHBondContact O-N 2.81Š| ||
| 253 | D | 30.7 | Very low | 38.4 | Very low | 153 Ų | 153 | 119.1 Ų | 119.1 | 82% | 0.818 | 70% | 0.701 | S | S | * | * | trans | 81.7 | 69.5 | 174.1 | -57.4 | -27.3 | 0 | 0 | 0 | 119.5 | ||||
| 254 | V | 37 | Very low | 38.8 | Very low | 146 Ų | 146 | 121.6 Ų | 121.6 | 89% | 0.885 | 71% | 0.709 | S | S | * | * | trans | -144.7 | 75.2 | 132.6 | -154.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 255 | C | 37 | Very low | 39.4 | Very low | 140 Ų | 140 | 126.7 Ų | 126.7 | 95% | 0.946 | 73% | 0.728 | S | S | * | * | trans | -76.8 | 119.8 | 151.3 | -81.7 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 256 | G | 36.2 | Very low | 39.6 | Very low | 57 Ų | 57 | 132.6 Ų | 132.6 | 59% | 0.588 | 76% | 0.759 | S | S | * | * | trans | 153.6 | 101.9 | 165.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 257 | L | 38.4 | Very low | 39.9 | Very low | 184 Ų | 184 | 138.4 Ų | 138.4 | 96% | 0.963 | 78% | 0.781 | S | S | * | * | trans | 72 | 106.5 | 143 | -53.9 | 172.4 | 0 | 0 | 0 | 118.1 | ||||
| 258 | G | 35.8 | Very low | 40.6 | Very low | 69 Ų | 69 | 143.7 Ų | 143.7 | 71% | 0.711 | 84% | 0.842 | S | S | * | * | trans | 177.8 | 78.5 | 163.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | F260 | G258-F260 PolarHBondContact O-N 3.45Š| ||
| 259 | S | 41.1 | Very low | 40.9 | Very low | 124 Ų | 124 | 147.3 Ų | 147.3 | 87% | 0.867 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 127.6 | 175.8 | -67 | 0 | 0 | 0 | 0 | 113.1 | ||
| 260 | F | 39.3 | Very low | 41.3 | Very low | 201 Ų | 201 | 151.9 Ų | 151.9 | 88% | 0.882 | 86% | 0.859 | S | S | * | * | P | Polyproline II helix | trans | -86 | 125.8 | 164.8 | -87.9 | -95.9 | 0 | 0 | 0 | 110.4 | G258 | G258-F260 PolarHBondContact O-N 3.45Š|
| 261 | P | 52.2 | Low | 41.8 | Very low | 124 Ų | 124 | 148.1 Ų | 148.1 | 81% | 0.805 | 86% | 0.861 | S | S | * | * | P | Polyproline II helix | trans | -87.2 | 120.5 | 160.9 | 30.1 | -25.2 | 0 | 0 | 0 | 110.4 | ||
| 262 | N | 39.8 | Very low | 42.6 | Very low | 142 Ų | 142 | 146.2 Ų | 146.2 | 76% | 0.759 | 86% | 0.856 | S | S | * | * | P | Polyproline II helix | trans | -67 | 131.9 | 168.2 | -168.2 | 6.2 | 0 | 0 | 0 | 109.7 | ||
| 263 | N | 46.2 | Very low | 43.1 | Very low | 132 Ų | 132 | 146.4 Ų | 146.4 | 71% | 0.706 | 87% | 0.868 | S | S | * | * | trans | -134.8 | 95.6 | 164.1 | -155.4 | -79.9 | 0 | 0 | 0 | 109.6 | ||||
| 264 | Q | 46.3 | Very low | 44 | Very low | 166 Ų | 166 | 146 Ų | 146 | 78% | 0.776 | 87% | 0.871 | S | S | * | * | trans | -60.4 | 129.6 | 156.5 | -84.3 | 172.9 | -26.3 | 0 | 0 | 109.3 | ||||
| 265 | K | 53.1 | Low | 44.4 | Very low | 195 Ų | 195 | 146 Ų | 146 | 85% | 0.848 | 87% | 0.87 | S | S | * | * | trans | -125.4 | 129.6 | 154.9 | -99.2 | 179.2 | 178.6 | 179.6 | 0 | 110.5 | ||||
| 266 | N | 52 | Low | 45 | Very low | 157 Ų | 157 | 146.5 Ų | 146.5 | 84% | 0.84 | 86% | 0.864 | S | S | * | * | trans | -59.2 | 151.4 | -166.4 | -77.9 | -36.5 | 0 | 0 | 0 | 116 | ||||
| 267 | H | 47.1 | Very low | 45.8 | Very low | 202 Ų | 202 | 153.9 Ų | 153.9 | 94% | 0.935 | 89% | 0.887 | S | S | * | * | trans | -65.2 | 139.2 | 150.2 | -87.1 | -76.1 | 0 | 0 | 0 | 111.1 | ||||
| 268 | G | 57.9 | Low | 46.4 | Very low | 151 Ų | 151 | 151.2 Ų | 151.2 | 100% | 1.557 | 88% | 0.88 | S | S | * | * | trans | -148.1 | 0 | 156 | 0 | 0 | 0 | 0 | 0 | 106.8 |
Retrieved 268 of 268 residues in 119.5 ms
(Link to these results)