| 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 | 52.6 | Low | 78.7 | Confident | 231 Ų | 231 | 92.6 Ų | 92.6 | 100% | 1.138 | 47% | 0.473 | S | S | * | . | 0 | 136.8 | 0 | -80 | 178.6 | 167.8 | 0 | 0 | 107.9 | |||||
| 2 | P | 60.7 | Low | 79.8 | Confident | 94 Ų | 94 | 86.8 Ų | 86.8 | 61% | 0.61 | 44% | 0.442 | S | S | * | . | trans | -61.8 | 137.9 | -179.4 | 24.9 | -31.8 | 0 | 0 | 0 | 110.4 | V4 A139 | P2-V4 VanDerWaalsContact C-N 3.34Å; P2-A139 HydrophobicContact CB-CB 4.15Å | ||
| 3 | R | 72.3 | Confident | 80.6 | Confident | 152 Ų | 152 | 87.8 Ų | 87.8 | 57% | 0.574 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -79.6 | -20.4 | -179.5 | -63.2 | 178.8 | 73.4 | -176.4 | 6.6 | 112.5 | I102 | R3-I102 HydrophobicContact CB-CD1 4.43Š|
| 4 | V | 82.1 | Confident | 81.3 | Confident | 9 Ų | 9 | 89.6 Ų | 89.6 | 6% | 0.055 | 46% | 0.455 | C | S | . | . | S | Bend | trans | -120.3 | 152.9 | -176.7 | -65 | 0 | 0 | 0 | 0 | 111.5 | P2 Q8 I102 G105 E135 A139 | P2-V4 VanDerWaalsContact C-N 3.34Å; V4-Q8 HydrophobicContact CB-CG 4.5Å; V4-I102 HydrophobicContact CG1-CD1 4.26Å; V4-I102 HydrophobicContact CG1-CG2 4.2Å; V4-G105 CarbonylContact C-O 3.58Å; V4-G105 VanDerWaalsContact CA-O 3.25Å; V4-G105 WeakPolarHBondContact CA-O 3.32Å; V4-G105 WeakPolarHBondContact CB-O 3.44Å; V4-E135 HydrophobicContact CG1-CB 3.7Å; V4-E135 HydrophobicContact CG1-CG 4.37Å; V4-E135 HydrophobicContact CG2-CB 4.24Å; V4-A139 HydrophobicContact CG2-CB 3.92Å |
| 5 | V | 81.1 | Confident | 82 | Confident | 40 Ų | 40 | 87.8 Ų | 87.8 | 24% | 0.242 | 44% | 0.444 | C | S | . | . | trans | -87.8 | 154.3 | 174.5 | -67 | 0 | 0 | 0 | 0 | 111.1 | Q8 K11 G105 V106 | V5-Q8 HydrophobicContact CG2-CG 4.24Å; V5-Q8 WeakPolarHBondContact O-CG 3.02Å; V5-K11 HydrophobicContact CG2-CD 3.66Å; V5-G105 WeakPolarHBondContact CG2-O 3.24Å; V5-G105 PolarHBondContact N-O 2.87Å; V5-V106 HydrophobicContact CG2-CG2 4.19Å | ||
| 6 | P | 76.4 | Confident | 82.4 | Confident | 103 Ų | 103 | 90.2 Ų | 90.2 | 67% | 0.669 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | 151.2 | 164.5 | -20.4 | 32.7 | 0 | 0 | 0 | 111.3 | Q8 | P6-Q8 VanDerWaalsContact C-N 3.33Å; P6-Q8 PolarHBondContact O-N 3.26Å |
| 7 | D | 83.9 | Confident | 82.9 | Confident | 133 Ų | 133 | 88.5 Ų | 88.5 | 71% | 0.711 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.8 | 44.3 | 175.7 | -60.5 | -59.1 | 0 | 0 | 0 | 114.3 | R9 S10 K11 | D7-R9 PolarHBondContact O-N 2.63Å; D7-S10 WeakPolarHBondContact O-CB 2.98Å; D7-S10 PolarHBondContact O-N 2.82Å; D7-K11 PolarHBondContact O-N 2.85Å; D7-K11 VanDerWaalsContact O-N 3.12Å |
| 8 | Q | 87.8 | Confident | 83.3 | Confident | 9 Ų | 9 | 83.6 Ų | 83.6 | 4% | 0.042 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -48.4 | -40.7 | -176.8 | -59.7 | -177.1 | 48.7 | 0 | 0 | 113.3 | V4 V5 P6 K11 F12 V106 C107 F127 A132 | V4-Q8 HydrophobicContact CB-CG 4.5Å; V5-Q8 HydrophobicContact CG2-CG 4.24Å; V5-Q8 WeakPolarHBondContact O-CG 3.02Å; P6-Q8 VanDerWaalsContact C-N 3.33Å; P6-Q8 PolarHBondContact O-N 3.26Å; Q8-K11 PolarHBondContact O-N 3.15Å; Q8-F12 PolarHBondContact O-N 2.74Å; Q8-V106 HydrophobicContact CB-CG1 4.27Å; Q8-C107 PolarHBondContact OE1-SG 3.36Å; Q8-F127 HydrophobicContact CB-CE2 3.79Å; Q8-F127 HydrophobicContact CB-CZ 4.08Å; Q8-A132 PolarHBondContact NE2-O 3.4Å |
| 9 | R | 88.8 | Confident | 83.7 | Confident | 127 Ų | 127 | 86.3 Ų | 86.3 | 48% | 0.479 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -61.7 | -46.7 | 178.5 | -176.1 | 173.4 | -177.6 | 156.3 | 0.7 | 112.4 | D7 K11 F12 E13 F127 E129 | D7-R9 PolarHBondContact O-N 2.63Å; R9-K11 VanDerWaalsContact C-N 3.29Å; R9-K11 PolarHBondContact O-N 3.2Å; R9-F12 PolarHBondContact O-N 3.06Å; R9-E13 WeakPolarHBondContact CG-OE1 3.35Å; R9-E13 IonicContact CZ-OE1 2.61Å; R9-E13 IonicContact NE-OE1 2.75Å; R9-E13 PolarHBondContact NE-OE1 3.16Å; R9-E13 IonicContact NH2-OE1 2.73Å; R9-E13 WeakPolarHBondContact O-CG 3.44Å; R9-E13 PolarHBondContact O-N 3.11Å; R9-F127 HydrophobicContact CB-CE1 3.96Å; R9-F127 HydrophobicContact CB-CE2 4.5Å; R9-F127 HydrophobicContact CB-CZ 3.92Å; R9-F127 HydrophobicContact CG-CE1 4.3Å; R9-E129 IonicContact NH1-OE1 3.06Å; R9-E129 PolarHBondContact NH1-OE1 3.44Å |
| 10 | S | 90.4 | Very high | 84 | Confident | 59 Ų | 59 | 87 Ų | 87 | 41% | 0.413 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -61.4 | -41.4 | 177.1 | -179.4 | 0 | 0 | 0 | 0 | 110.9 | D7 E13 N14 | D7-S10 WeakPolarHBondContact O-CB 2.98Å; D7-S10 PolarHBondContact O-N 2.82Å; S10-E13 PolarHBondContact O-N 3.03Å; S10-N14 VanDerWaalsContact O-CB 3.23Å; S10-N14 WeakPolarHBondContact O-CB 3.23Å; S10-N14 PolarHBondContact O-N 3.19Å; S10-N14 PolarHBondContact O-ND2 3.27Å; S10-N14 PolarHBondContact OG-ND2 3.46Å |
| 11 | K | 89.8 | Confident | 84.3 | Confident | 62 Ų | 62 | 82.9 Ų | 82.9 | 27% | 0.27 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -63.1 | -44.6 | 175.9 | -171 | 171.9 | -179 | -179.4 | 0 | 111.9 | V5 D7 Q8 R9 E13 E15 N104 V106 | V5-K11 HydrophobicContact CG2-CD 3.66Å; D7-K11 PolarHBondContact O-N 2.85Å; D7-K11 VanDerWaalsContact O-N 3.12Å; Q8-K11 PolarHBondContact O-N 3.15Å; R9-K11 VanDerWaalsContact C-N 3.29Å; R9-K11 PolarHBondContact O-N 3.2Å; K11-E13 PolarHBondContact O-N 3.38Å; K11-E15 WeakPolarHBondContact CE-OE2 3.44Å; K11-E15 VanDerWaalsContact CG-OE2 3.26Å; K11-E15 WeakPolarHBondContact CG-OE2 3.24Å; K11-E15 WeakPolarHBondContact O-CB 3.33Å; K11-E15 PolarHBondContact O-N 3.39Å; K11-N104 PolarHBondContact NZ-O 2.88Å; K11-V106 HydrophobicContact CB-CG2 4.04Å; K11-V106 HydrophobicContact CD-CG2 3.75Å; K11-V106 HydrophobicContact CG-CG2 3.96Å |
| 12 | F | 91.4 | Very high | 86.2 | Confident | 22 Ų | 22 | 74 Ų | 74 | 10% | 0.096 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -60.6 | -42.8 | 176.7 | -174.3 | -95.1 | 0 | 0 | 0 | 112.6 | Q8 R9 F18 V106 V108 L125 F127 | Q8-F12 PolarHBondContact O-N 2.74Å; R9-F12 PolarHBondContact O-N 3.06Å; F12-F18 HydrophobicContact CD2-CB 3.89Å; F12-F18 AromaticContact CD2-CD1 3.66Å; F12-F18 HydrophobicContact CD2-CD1 3.66Å; F12-F18 HydrophobicContact CD2-CE1 4.34Å; F12-F18 AromaticContact CD2-CG 3.77Å; F12-F18 HydrophobicContact CD2-CG 3.77Å; F12-F18 HydrophobicContact CE2-CB 4.17Å; F12-F18 AromaticContact CE2-CD1 3.88Å; F12-F18 HydrophobicContact CE2-CD1 3.88Å; F12-F18 HydrophobicContact CE2-CG 4.27Å; F12-F18 HydrophobicContact CG-CB 4.34Å; F12-F18 HydrophobicContact CG-CG 4.48Å; F12-F18 VanDerWaalsContact O-CB 3.24Å; F12-F18 WeakPolarHBondContact O-CB 3.16Å; F12-V106 HydrophobicContact CB-CG1 3.99Å; F12-V106 HydrophobicContact CD2-CG1 4.16Å; F12-V108 HydrophobicContact CD2-CG1 3.67Å; F12-V108 HydrophobicContact CE2-CG1 3.66Å; F12-L125 HydrophobicContact CE2-CB 4.29Å; F12-F127 HydrophobicContact CB-CD2 4.03Å; F12-F127 HydrophobicContact CD1-CB 3.82Å; F12-F127 HydrophobicContact CD2-CB 4.38Å; F12-F127 HydrophobicContact CD2-CD2 4.43Å; F12-F127 HydrophobicContact CE1-CB 3.93Å; F12-F127 HydrophobicContact CE2-CB 4.48Å; F12-F127 HydrophobicContact CG-CB 4.05Å; F12-F127 HydrophobicContact CG-CD2 4.12Å; F12-F127 HydrophobicContact CG-CG 4.44Å; F12-F127 HydrophobicContact CZ-CB 4.27Å |
| 13 | E | 90.6 | Very high | 87.6 | Confident | 101 Ų | 101 | 77.7 Ų | 77.7 | 47% | 0.472 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -76.3 | -33.3 | -176.8 | -70.7 | 175.5 | -175.5 | 0 | 0 | 113 | R9 S10 K11 R19 | R9-E13 WeakPolarHBondContact CG-OE1 3.35Å; R9-E13 IonicContact CZ-OE1 2.61Å; R9-E13 IonicContact NE-OE1 2.75Å; R9-E13 PolarHBondContact NE-OE1 3.16Å; R9-E13 IonicContact NH2-OE1 2.73Å; R9-E13 WeakPolarHBondContact O-CG 3.44Å; R9-E13 PolarHBondContact O-N 3.11Å; S10-E13 PolarHBondContact O-N 3.03Å; K11-E13 PolarHBondContact O-N 3.38Å; E13-R19 WeakPolarHBondContact O-CD 3.41Å; E13-R19 VanDerWaalsContact O-CG 3.23Å; E13-R19 WeakPolarHBondContact O-CG 3.47Å |
| 14 | N | 90.2 | Very high | 88.5 | Confident | 112 Ų | 112 | 76.9 Ų | 76.9 | 60% | 0.599 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -96.5 | -30.8 | -172.8 | -68.8 | -51.7 | 0 | 0 | 0 | 114.2 | S10 E16 | S10-N14 VanDerWaalsContact O-CB 3.23Å; S10-N14 WeakPolarHBondContact O-CB 3.23Å; S10-N14 PolarHBondContact O-N 3.19Å; S10-N14 PolarHBondContact O-ND2 3.27Å; S10-N14 PolarHBondContact OG-ND2 3.46Å; N14-E16 PolarHBondContact O-N 3.44Å |
| 15 | E | 92.4 | Very high | 89 | Confident | 63 Ų | 63 | 77.2 Ų | 77.2 | 29% | 0.294 | 37% | 0.372 | S | S | . | . | trans | -74.2 | 125.6 | -175.5 | -164.5 | 178.7 | 162.2 | 0 | 0 | 110.9 | K11 F17 F18 R19 | K11-E15 WeakPolarHBondContact CE-OE2 3.44Å; K11-E15 VanDerWaalsContact CG-OE2 3.26Å; K11-E15 WeakPolarHBondContact CG-OE2 3.24Å; K11-E15 WeakPolarHBondContact O-CB 3.33Å; K11-E15 PolarHBondContact O-N 3.39Å; E15-F17 HydrophobicContact CG-CB 4.24Å; E15-F17 PolarHBondContact O-N 3.08Å; E15-F17 VanDerWaalsContact O-N 3.14Å; E15-F18 HydrophobicContact CB-CD2 3.99Å; E15-F18 HydrophobicContact CG-CD2 4.46Å; E15-F18 PolarHBondContact O-N 3.42Å; E15-F18 VanDerWaalsContact O-N 3.09Å; E15-F18 WeakPolarHBondContact OE2-CE2 3.41Å; E15-R19 WeakPolarHBondContact O-CG 3.14Å; E15-R19 PolarHBondContact O-N 3.1Å | ||
| 16 | E | 88.9 | Confident | 89.7 | Confident | 126 Ų | 126 | 79.1 Ų | 79.1 | 59% | 0.589 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -56.8 | -35.1 | -176.3 | -170.8 | -175.2 | 173 | 0 | 0 | 112.3 | N14 R19 K20 | N14-E16 PolarHBondContact O-N 3.44Å; E16-R19 PolarHBondContact O-N 3.28Å; E16-K20 HydrophobicContact CG-CD 4.24Å; E16-K20 HydrophobicContact CG-CG 4.47Å; E16-K20 WeakPolarHBondContact O-CB 3.27Å; E16-K20 WeakPolarHBondContact O-CG 3.42Å; E16-K20 PolarHBondContact O-N 2.98Å; E16-K20 WeakPolarHBondContact OE1-CE 3.47Å; E16-K20 IonicContact OE1-NZ 2.63Å; E16-K20 PolarHBondContact OE1-NZ 3.04Å |
| 17 | F | 89.4 | Confident | 90.6 | Very high | 61 Ų | 61 | 74.2 Ų | 74.2 | 27% | 0.268 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -56.2 | -52.8 | 175.9 | 175.6 | -88.2 | 0 | 0 | 0 | 111.7 | E15 K20 L21 T62 L103 | E15-F17 HydrophobicContact CG-CB 4.24Å; E15-F17 PolarHBondContact O-N 3.08Å; E15-F17 VanDerWaalsContact O-N 3.14Å; F17-K20 PolarHBondContact O-N 3.13Å; F17-L21 HydrophobicContact CD1-CD1 4.32Å; F17-L21 HydrophobicContact CE1-CD1 3.53Å; F17-L21 HydrophobicContact CE2-CD1 3.82Å; F17-L21 HydrophobicContact CZ-CD1 3.27Å; F17-L21 HydrophobicContact CZ-CG 4.45Å; F17-L21 WeakPolarHBondContact O-CG 3.18Å; F17-L21 PolarHBondContact O-N 3.07Å; F17-T62 HydrophobicContact CE2-CG2 4.06Å; F17-T62 HydrophobicContact CZ-CG2 4.12Å; F17-L103 HydrophobicContact CD1-CD2 4.2Å; F17-L103 HydrophobicContact CE1-CD2 3.16Å; F17-L103 HydrophobicContact CZ-CD2 3.66Å |
| 18 | F | 90.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -69.2 | -39.8 | 179.1 | -72.4 | -65.2 | 0 | 0 | 0 | 112.1 | F12 E15 K20 L21 S22 L103 N104 V106 V108 L125 | F12-F18 HydrophobicContact CD2-CB 3.89Å; F12-F18 AromaticContact CD2-CD1 3.66Å; F12-F18 HydrophobicContact CD2-CD1 3.66Å; F12-F18 HydrophobicContact CD2-CE1 4.34Å; F12-F18 AromaticContact CD2-CG 3.77Å; F12-F18 HydrophobicContact CD2-CG 3.77Å; F12-F18 HydrophobicContact CE2-CB 4.17Å; F12-F18 AromaticContact CE2-CD1 3.88Å; F12-F18 HydrophobicContact CE2-CD1 3.88Å; F12-F18 HydrophobicContact CE2-CG 4.27Å; F12-F18 HydrophobicContact CG-CB 4.34Å; F12-F18 HydrophobicContact CG-CG 4.48Å; F12-F18 VanDerWaalsContact O-CB 3.24Å; F12-F18 WeakPolarHBondContact O-CB 3.16Å; E15-F18 HydrophobicContact CB-CD2 3.99Å; E15-F18 HydrophobicContact CG-CD2 4.46Å; E15-F18 PolarHBondContact O-N 3.42Å; E15-F18 VanDerWaalsContact O-N 3.09Å; E15-F18 WeakPolarHBondContact OE2-CE2 3.41Å; F18-K20 VanDerWaalsContact C-N 3.25Å; F18-K20 PolarHBondContact O-N 3.44Å; F18-L21 CarbonylContact O-C 3.5Å; F18-L21 PolarHBondContact O-N 3.14Å; F18-L21 VanDerWaalsContact O-N 3.15Å; F18-S22 VanDerWaalsContact O-CB 3.29Å; F18-S22 WeakPolarHBondContact O-CB 3.44Å; F18-S22 PolarHBondContact O-N 2.87Å; F18-S22 PolarHBondContact O-OG 3.17Å; F18-L103 HydrophobicContact CE1-CB 4.25Å; F18-L103 HydrophobicContact CE1-CD2 3.6Å; F18-L103 HydrophobicContact CZ-CB 4.4Å; F18-L103 HydrophobicContact CZ-CD2 3.9Å; F18-L103 WeakPolarHBondContact CZ-O 3.36Å; F18-N104 HydrophobicContact CZ-CB 4.29Å; F18-V106 HydrophobicContact CE1-CB 4.48Å; F18-V106 HydrophobicContact CE2-CB 4.23Å; F18-V106 HydrophobicContact CE2-CG2 3.81Å; F18-V106 HydrophobicContact CZ-CB 3.87Å; F18-V106 HydrophobicContact CZ-CG1 4.49Å; F18-V106 HydrophobicContact CZ-CG2 3.94Å; F18-V108 HydrophobicContact CD1-CG1 4.36Å; F18-V108 HydrophobicContact CE1-CG1 3.99Å; F18-L125 HydrophobicContact CD1-CD1 4.15Å; F18-L125 HydrophobicContact CE1-CD1 4.41Å |
| 19 | R | 90.9 | Very high | 91.6 | Very high | 135 Ų | 135 | 72 Ų | 72 | 51% | 0.509 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -60.8 | -33 | 177.4 | -68.6 | 179.4 | 70.1 | -173 | 0.5 | 113.5 | E13 E15 E16 S22 | E13-R19 WeakPolarHBondContact O-CD 3.41Å; E13-R19 VanDerWaalsContact O-CG 3.23Å; E13-R19 WeakPolarHBondContact O-CG 3.47Å; E15-R19 WeakPolarHBondContact O-CG 3.14Å; E15-R19 PolarHBondContact O-N 3.1Å; E16-R19 PolarHBondContact O-N 3.28Å; R19-S22 PolarHBondContact O-OG 2.88Å |
| 20 | K | 90.4 | Very high | 91.9 | Very high | 100 Ų | 100 | 67.5 Ų | 67.5 | 44% | 0.435 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -71.1 | -44.9 | 174.7 | -78 | 176.9 | 179.4 | 168.6 | 0 | 111 | E16 F17 F18 C25 T60 | E16-K20 HydrophobicContact CG-CD 4.24Å; E16-K20 HydrophobicContact CG-CG 4.47Å; E16-K20 WeakPolarHBondContact O-CB 3.27Å; E16-K20 WeakPolarHBondContact O-CG 3.42Å; E16-K20 PolarHBondContact O-N 2.98Å; E16-K20 WeakPolarHBondContact OE1-CE 3.47Å; E16-K20 IonicContact OE1-NZ 2.63Å; E16-K20 PolarHBondContact OE1-NZ 3.04Å; F17-K20 PolarHBondContact O-N 3.13Å; F18-K20 VanDerWaalsContact C-N 3.25Å; F18-K20 PolarHBondContact O-N 3.44Å; K20-C25 PolarHBondContact O-SG 2.93Å; K20-C25 VanDerWaalsContact O-SG 3.38Å; K20-T60 HydrophobicContact CB-CG2 4.24Å; K20-T60 HydrophobicContact CD-CG2 4.36Å |
| 21 | L | 90.8 | Very high | 91.9 | Very high | 1 Ų | 1 | 64.9 Ų | 64.9 | 1% | 0.005 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -81.6 | -15.8 | -176 | -61.7 | -173.2 | 0 | 0 | 0 | 114.2 | F17 F18 R23 F57 T60 T62 C124 L125 | F17-L21 HydrophobicContact CD1-CD1 4.32Å; F17-L21 HydrophobicContact CE1-CD1 3.53Å; F17-L21 HydrophobicContact CE2-CD1 3.82Å; F17-L21 HydrophobicContact CZ-CD1 3.27Å; F17-L21 HydrophobicContact CZ-CG 4.45Å; F17-L21 WeakPolarHBondContact O-CG 3.18Å; F17-L21 PolarHBondContact O-N 3.07Å; F18-L21 CarbonylContact O-C 3.5Å; F18-L21 PolarHBondContact O-N 3.14Å; F18-L21 VanDerWaalsContact O-N 3.15Å; L21-R23 VanDerWaalsContact C-N 3.29Å; L21-F57 HydrophobicContact CB-CZ 4.43Å; L21-F57 HydrophobicContact CD1-CD2 4.36Å; L21-F57 HydrophobicContact CD1-CE2 4.22Å; L21-F57 HydrophobicContact CD2-CB 4.03Å; L21-F57 HydrophobicContact CD2-CD1 3.89Å; L21-F57 HydrophobicContact CD2-CD2 3.62Å; L21-F57 HydrophobicContact CD2-CE1 4.18Å; L21-F57 HydrophobicContact CD2-CE2 3.93Å; L21-F57 HydrophobicContact CD2-CG 3.58Å; L21-F57 HydrophobicContact CD2-CZ 4.19Å; L21-F57 HydrophobicContact CG-CE2 4.49Å; L21-T60 HydrophobicContact CD2-CG2 3.98Å; L21-T62 HydrophobicContact CD1-CG2 4.33Å; L21-C124 CarbonylContact O-C 3.48Å; L21-C124 VanDerWaalsContact O-CA 3.26Å; L21-C124 WeakPolarHBondContact O-CA 3.28Å; L21-L125 HydrophobicContact CB-CB 4.49Å; L21-L125 HydrophobicContact CB-CD1 3.67Å; L21-L125 HydrophobicContact CB-CG 4.01Å; L21-L125 HydrophobicContact CD1-CD1 3.8Å; L21-L125 HydrophobicContact CG-CD1 4.41Å; L21-L125 PolarHBondContact O-N 3.01Å |
| 22 | S | 90.8 | Very high | 92 | Very high | 46 Ų | 46 | 66.4 Ų | 66.4 | 32% | 0.322 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -17.9 | 176.3 | 65.2 | 0 | 0 | 0 | 0 | 113.5 | F18 R19 L125 | F18-S22 VanDerWaalsContact O-CB 3.29Å; F18-S22 WeakPolarHBondContact O-CB 3.44Å; F18-S22 PolarHBondContact O-N 2.87Å; F18-S22 PolarHBondContact O-OG 3.17Å; R19-S22 PolarHBondContact O-OG 2.88Å; S22-L125 VanDerWaalsContact CA-O 3.25Å; S22-L125 WeakPolarHBondContact CA-O 3.3Å; S22-L125 WeakPolarHBondContact CB-O 3.3Å |
| 23 | R | 90.2 | Very high | 91.9 | Very high | 171 Ų | 171 | 74.8 Ų | 74.8 | 65% | 0.645 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -80 | 148.4 | 170.7 | -63.9 | 179.4 | 180 | -167.8 | -2.9 | 109.3 | L21 C25 | L21-R23 VanDerWaalsContact C-N 3.29Å; R23-C25 PolarHBondContact O-N 2.9Å; R23-C25 PolarHBondContact O-SG 2.84Å |
| 24 | E | 90.9 | Very high | 92 | Very high | 134 Ų | 134 | 75.8 Ų | 75.8 | 63% | 0.626 | 34% | 0.344 | S | S | * | . | trans | -58.6 | 116.1 | 172.7 | -160.5 | -178.7 | -136.8 | 0 | 0 | 109.5 | M122 | E24-M122 HydrophobicContact CB-CE 4.37Å; E24-M122 HydrophobicContact CG-CB 3.88Å; E24-M122 HydrophobicContact CG-CE 3.7Å; E24-M122 HydrophobicContact CG-CG 4.49Å | ||
| 25 | C | 92.7 | Very high | 92.2 | Very high | 17 Ų | 17 | 76.2 Ų | 76.2 | 12% | 0.115 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 148 | -174.7 | -72.7 | 0 | 0 | 0 | 0 | 110.3 | K20 R23 I27 F57 M122 G123 | K20-C25 PolarHBondContact O-SG 2.93Å; K20-C25 VanDerWaalsContact O-SG 3.38Å; R23-C25 PolarHBondContact O-N 2.9Å; R23-C25 PolarHBondContact O-SG 2.84Å; C25-I27 PolarHBondContact O-N 3.36Å; C25-F57 HydrophobicContact CB-CD1 3.53Å; C25-F57 HydrophobicContact CB-CE1 3.88Å; C25-M122 CarbonylContact O-C 3.57Å; C25-M122 WeakPolarHBondContact O-CA 3.44Å; C25-G123 PolarHBondContact N-O 2.75Å; C25-G123 PolarHBondContact O-N 2.83Å |
| 26 | E | 95.9 | Very high | 92.4 | Very high | 79 Ų | 79 | 77.3 Ų | 77.3 | 37% | 0.369 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 132.8 | 171.4 | -170.5 | -171.4 | 161.9 | 0 | 0 | 109.8 | K28 V58 G121 M122 | E26-K28 WeakPolarHBondContact OE1-CE 3.26Å; E26-K28 IonicContact OE1-NZ 3.15Å; E26-K28 PolarHBondContact OE1-NZ 2.68Å; E26-K28 VanDerWaalsContact OE1-NZ 3.15Å; E26-V58 HydrophobicContact CB-CB 4.17Å; E26-V58 HydrophobicContact CB-CG2 4.23Å; E26-V58 HydrophobicContact CG-CB 4.3Å; E26-V58 HydrophobicContact CG-CG2 3.89Å; E26-V58 PolarHBondContact O-N 3.04Å; E26-G121 WeakPolarHBondContact CA-O 3.12Å; E26-M122 HydrophobicContact CB-SD 4.21Å |
| 27 | I | 96.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 75.5 Ų | 75.5 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 153.2 | 178.2 | 58.7 | 171 | 0 | 0 | 0 | 110.7 | C25 I55 A56 F57 W110 I114 D120 G121 M122 | C25-I27 PolarHBondContact O-N 3.36Å; I27-I55 HydrophobicContact CG2-CD1 4.27Å; I27-A56 CarbonylContact C-O 3.5Å; I27-A56 WeakPolarHBondContact CA-O 3.26Å; I27-F57 HydrophobicContact CG2-CD1 3.65Å; I27-F57 HydrophobicContact CG2-CE1 3.83Å; I27-F57 HydrophobicContact CG2-CG 4.2Å; I27-F57 HydrophobicContact CG2-CZ 4.49Å; I27-W110 HydrophobicContact CD1-CH2 3.88Å; I27-W110 HydrophobicContact CD1-CZ2 3.47Å; I27-W110 VanDerWaalsContact CD1-CZ2 3.47Å; I27-I114 HydrophobicContact CD1-CD1 4.07Å; I27-I114 HydrophobicContact CD1-CG1 3.71Å; I27-I114 HydrophobicContact CG1-CG1 4.4Å; I27-D120 CarbonylContact O-C 3.05Å; I27-D120 WeakPolarHBondContact O-CA 3.22Å; I27-G121 VanDerWaalsContact CG1-C 3.4Å; I27-G121 WeakPolarHBondContact CG1-O 3.23Å; I27-G121 PolarHBondContact N-O 2.8Å; I27-G121 PolarHBondContact O-N 2.98Å; I27-M122 WeakPolarHBondContact CD1-O 3.46Å |
| 28 | K | 96.2 | Very high | 92.8 | Very high | 86 Ų | 86 | 80.1 Ų | 80.1 | 37% | 0.374 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 143.6 | 173.6 | -69.9 | -176.2 | 179.6 | 169 | 0 | 111.1 | E26 T30 I55 A56 V58 D120 | E26-K28 WeakPolarHBondContact OE1-CE 3.26Å; E26-K28 IonicContact OE1-NZ 3.15Å; E26-K28 PolarHBondContact OE1-NZ 2.68Å; E26-K28 VanDerWaalsContact OE1-NZ 3.15Å; K28-T30 PolarHBondContact O-N 3.2Å; K28-I55 CarbonylContact O-C 3.51Å; K28-I55 VanDerWaalsContact O-CA 3.3Å; K28-I55 WeakPolarHBondContact O-CA 3.42Å; K28-A56 PolarHBondContact N-O 2.86Å; K28-A56 PolarHBondContact O-N 2.83Å; K28-V58 HydrophobicContact CB-CG2 4.35Å; K28-V58 HydrophobicContact CD-CG2 3.84Å; K28-V58 HydrophobicContact CG-CG2 3.69Å; K28-D120 HydrophobicContact CG-CB 3.91Å |
| 29 | Y | 95.8 | Very high | 93 | Very high | 11 Ų | 11 | 82.9 Ų | 82.9 | 4% | 0.043 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 124.8 | 167.8 | 175.5 | -114 | 0 | 0 | 0 | 109.9 | G31 F32 R40 F44 E54 L119 | Y29-G31 VanDerWaalsContact CE1-O 3.24Å; Y29-G31 WeakPolarHBondContact CE1-O 3.29Å; Y29-G31 VanDerWaalsContact CZ-CA 3.45Å; Y29-F32 WeakPolarHBondContact OH-CD2 3.34Å; Y29-R40 PolarHBondContact O-NH2 3.35Å; Y29-F44 HydrophobicContact CD1-CB 4.22Å; Y29-F44 HydrophobicContact CD1-CD2 4.35Å; Y29-F44 AromaticContact CD2-CD2 3.37Å; Y29-F44 HydrophobicContact CD2-CD2 3.37Å; Y29-F44 AromaticContact CD2-CE2 3.92Å; Y29-F44 HydrophobicContact CD2-CE2 3.92Å; Y29-F44 HydrophobicContact CD2-CG 4.3Å; Y29-F44 HydrophobicContact CE1-CB 4.01Å; Y29-F44 HydrophobicContact CE2-CB 4.38Å; Y29-F44 AromaticContact CE2-CD2 3.63Å; Y29-F44 HydrophobicContact CE2-CD2 3.63Å; Y29-F44 HydrophobicContact CE2-CE2 4.47Å; Y29-F44 HydrophobicContact CE2-CG 4.47Å; Y29-F44 HydrophobicContact CG-CB 4.47Å; Y29-F44 AromaticContact CG-CD2 3.76Å; Y29-F44 HydrophobicContact CG-CD2 3.76Å; Y29-F44 HydrophobicContact CG-CE2 4.37Å; Y29-F44 HydrophobicContact CG-CG 4.34Å; Y29-E54 WeakPolarHBondContact CD2-O 2.92Å; Y29-L119 HydrophobicContact CD1-CD1 4.15Å; Y29-L119 PolarHBondContact N-O 2.83Å |
| 30 | T | 94.3 | Very high | 93.2 | Very high | 32 Ų | 32 | 78.4 Ų | 78.4 | 20% | 0.196 | 36% | 0.36 | C | S | . | . | trans | -106.7 | 0.8 | -175.6 | 48.7 | 0 | 0 | 0 | 0 | 114.3 | K28 R33 E54 A56 | K28-T30 PolarHBondContact O-N 3.2Å; T30-R33 WeakPolarHBondContact O-CG 3.32Å; T30-E54 PolarHBondContact N-O 3.3Å; T30-E54 VanDerWaalsContact N-O 3.08Å; T30-E54 PolarHBondContact OG1-O 3.42Å; T30-A56 HydrophobicContact CG2-CB 3.4Å; T30-A56 VanDerWaalsContact CG2-CB 3.4Å | ||
| 31 | G | 90.8 | Very high | 93.4 | Very high | 3 Ų | 3 | 75.7 Ų | 75.7 | 3% | 0.031 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | 148.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y29 R33 R40 | Y29-G31 VanDerWaalsContact CE1-O 3.24Å; Y29-G31 WeakPolarHBondContact CE1-O 3.29Å; Y29-G31 VanDerWaalsContact CZ-CA 3.45Å; G31-R33 VanDerWaalsContact C-N 3.31Å; G31-R33 PolarHBondContact O-N 2.98Å; G31-R40 PolarHBondContact O-NE 3.37Å; G31-R40 VanDerWaalsContact O-NE 3.1Å; G31-R40 PolarHBondContact O-NH2 2.82Å; G31-R40 VanDerWaalsContact O-NH2 3.17Å |
| 32 | F | 91.2 | Very high | 93.5 | Very high | 94 Ų | 94 | 78 Ų | 78 | 41% | 0.412 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49 | 43.5 | 171.6 | -56.8 | -80.6 | 0 | 0 | 0 | 114.5 | Y29 D34 R35 R40 R43 | Y29-F32 WeakPolarHBondContact OH-CD2 3.34Å; F32-D34 PolarHBondContact O-N 3.28Å; F32-D34 VanDerWaalsContact O-N 3.16Å; F32-R35 HydrophobicContact CB-CB 4.23Å; F32-R35 HydrophobicContact CB-CG 3.9Å; F32-R35 HydrophobicContact CD1-CG 4.44Å; F32-R35 WeakPolarHBondContact O-CB 3.49Å; F32-R35 PolarHBondContact O-N 3.44Å; F32-R40 HydrophobicContact CB-CG 4.27Å; F32-R40 WeakPolarHBondContact O-CD 3.37Å; F32-R40 VanDerWaalsContact O-CG 3.24Å; F32-R40 WeakPolarHBondContact O-CG 3.49Å; F32-R40 PolarHBondContact O-NE 2.99Å; F32-R43 HydrophobicContact CD2-CB 3.88Å; F32-R43 HydrophobicContact CD2-CG 4.12Å; F32-R43 HydrophobicContact CE2-CB 4.06Å; F32-R43 HydrophobicContact CE2-CG 4.28Å; F32-R43 HydrophobicContact CG-CG 4.47Å |
| 33 | R | 90.1 | Very high | 93.6 | Very high | 198 Ų | 198 | 81.2 Ų | 81.2 | 75% | 0.747 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -19.2 | -177.3 | -67.7 | 179.3 | 68.2 | -170.1 | 0.4 | 114.1 | T30 G31 R35 | T30-R33 WeakPolarHBondContact O-CG 3.32Å; G31-R33 VanDerWaalsContact C-N 3.31Å; G31-R33 PolarHBondContact O-N 2.98Å; R33-R35 VanDerWaalsContact C-N 3.28Å |
| 34 | D | 93.6 | Very high | 93.7 | Very high | 122 Ų | 122 | 73 Ų | 73 | 65% | 0.652 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | -12 | 174.6 | 61.1 | -56.2 | 0 | 0 | 0 | 113.5 | F32 | F32-D34 PolarHBondContact O-N 3.28Å; F32-D34 VanDerWaalsContact O-N 3.16Å |
| 35 | R | 94.1 | Very high | 93.7 | Very high | 121 Ų | 121 | 69.7 Ų | 69.7 | 46% | 0.457 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -99.6 | 156.7 | -172.6 | -58.7 | -64.3 | 169.1 | 151.9 | -1 | 113.3 | F32 R33 E39 R40 | F32-R35 HydrophobicContact CB-CB 4.23Å; F32-R35 HydrophobicContact CB-CG 3.9Å; F32-R35 HydrophobicContact CD1-CG 4.44Å; F32-R35 WeakPolarHBondContact O-CB 3.49Å; F32-R35 PolarHBondContact O-N 3.44Å; R33-R35 VanDerWaalsContact C-N 3.28Å; R35-E39 HydrophobicContact CB-CB 4.44Å; R35-R40 HydrophobicContact CB-CG 4.1Å; R35-R40 WeakPolarHBondContact O-CD 3.48Å |
| 36 | P | 95.7 | Very high | 93.6 | Very high | 87 Ų | 87 | 72.6 Ų | 72.6 | 57% | 0.565 | 34% | 0.341 | S | S | * | . | trans | -56.4 | 148.4 | 172.4 | -23.3 | 34 | 0 | 0 | 0 | 112.2 | E38 E39 R40 | P36-E38 VanDerWaalsContact C-N 3.32Å; P36-E38 PolarHBondContact O-N 3.25Å; P36-E39 PolarHBondContact O-N 3.43Å; P36-R40 WeakPolarHBondContact O-CG 3.23Å; P36-R40 PolarHBondContact O-N 3.04Å | ||
| 37 | H | 93.5 | Very high | 93.2 | Very high | 88 Ų | 88 | 69.5 Ų | 69.5 | 41% | 0.407 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -56.4 | -43.1 | -174.2 | -169.3 | 66.8 | 0 | 0 | 0 | 113.5 | E39 R40 Q41 Q117 | H37-E39 PolarHBondContact O-N 3.09Å; H37-R40 WeakPolarHBondContact O-CB 3.47Å; H37-R40 PolarHBondContact O-N 2.83Å; H37-R40 VanDerWaalsContact O-N 3.13Å; H37-Q41 PolarHBondContact CD2-NE2 2.89Å; H37-Q41 VanDerWaalsContact CD2-NE2 3.3Å; H37-Q41 PolarHBondContact NE2-NE2 3.07Å; H37-Q41 VanDerWaalsContact NE2-NE2 3.2Å; H37-Q41 WeakPolarHBondContact O-CG 3.36Å; H37-Q41 PolarHBondContact O-N 3.15Å; H37-Q117 PolarHBondContact CE1-O 3.11Å; H37-Q117 PolarHBondContact NE2-O 3.29Å |
| 38 | E | 94.1 | Very high | 92.8 | Very high | 158 Ų | 158 | 69.5 Ų | 69.5 | 74% | 0.738 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -61.3 | -41.2 | 177.3 | -169.4 | -179.6 | 102 | 0 | 0 | 112.3 | P36 R40 Q41 A42 | P36-E38 VanDerWaalsContact C-N 3.32Å; P36-E38 PolarHBondContact O-N 3.25Å; E38-R40 VanDerWaalsContact C-N 3.32Å; E38-R40 PolarHBondContact O-N 2.96Å; E38-Q41 PolarHBondContact O-N 2.79Å; E38-A42 PolarHBondContact O-N 3.24Å; E38-A42 VanDerWaalsContact O-N 3.17Å |
| 39 | E | 94.9 | Very high | 92.2 | Very high | 58 Ų | 58 | 72.1 Ų | 72.1 | 27% | 0.271 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -64.7 | -40.4 | 175.2 | -168.7 | -177 | 166.8 | 0 | 0 | 110.5 | R35 P36 H37 Q41 A42 R43 | R35-E39 HydrophobicContact CB-CB 4.44Å; P36-E39 PolarHBondContact O-N 3.43Å; H37-E39 PolarHBondContact O-N 3.09Å; E39-Q41 VanDerWaalsContact C-N 3.31Å; E39-Q41 PolarHBondContact O-N 2.94Å; E39-A42 PolarHBondContact O-N 2.78Å; E39-R43 HydrophobicContact CG-CG 4.2Å; E39-R43 WeakPolarHBondContact O-CB 3.38Å; E39-R43 WeakPolarHBondContact O-CG 3.35Å; E39-R43 PolarHBondContact O-N 3.43Å; E39-R43 IonicContact OE1-CZ 3.02Å; E39-R43 IonicContact OE1-NE 3.36Å; E39-R43 PolarHBondContact OE1-NE 2.86Å; E39-R43 IonicContact OE1-NH2 3.49Å; E39-R43 PolarHBondContact OE1-NH2 2.91Å |
| 40 | R | 94.8 | Very high | 91.7 | Very high | 40 Ų | 40 | 76.2 Ų | 76.2 | 15% | 0.151 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -61.9 | -39 | 177.3 | -64.1 | -179.8 | 71 | -142.4 | -5.6 | 111.9 | Y29 G31 F32 R35 P36 H37 E38 R43 F44 L119 | Y29-R40 PolarHBondContact O-NH2 3.35Å; G31-R40 PolarHBondContact O-NE 3.37Å; G31-R40 VanDerWaalsContact O-NE 3.1Å; G31-R40 PolarHBondContact O-NH2 2.82Å; G31-R40 VanDerWaalsContact O-NH2 3.17Å; F32-R40 HydrophobicContact CB-CG 4.27Å; F32-R40 WeakPolarHBondContact O-CD 3.37Å; F32-R40 VanDerWaalsContact O-CG 3.24Å; F32-R40 WeakPolarHBondContact O-CG 3.49Å; F32-R40 PolarHBondContact O-NE 2.99Å; R35-R40 HydrophobicContact CB-CG 4.1Å; R35-R40 WeakPolarHBondContact O-CD 3.48Å; P36-R40 WeakPolarHBondContact O-CG 3.23Å; P36-R40 PolarHBondContact O-N 3.04Å; H37-R40 WeakPolarHBondContact O-CB 3.47Å; H37-R40 PolarHBondContact O-N 2.83Å; H37-R40 VanDerWaalsContact O-N 3.13Å; E38-R40 VanDerWaalsContact C-N 3.32Å; E38-R40 PolarHBondContact O-N 2.96Å; R40-R43 PolarHBondContact O-N 2.8Å; R40-F44 WeakPolarHBondContact O-CB 3.18Å; R40-F44 PolarHBondContact O-N 3.08Å; R40-L119 HydrophobicContact CB-CD1 3.63Å |
| 41 | Q | 93.8 | Very high | 91.3 | Very high | 43 Ų | 43 | 74.8 Ų | 74.8 | 20% | 0.201 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -61.9 | -49.3 | 176.1 | -66.8 | 168.8 | -21.6 | 0 | 0 | 111.6 | H37 E38 E39 R43 F44 Q45 L116 Q117 L119 | H37-Q41 PolarHBondContact CD2-NE2 2.89Å; H37-Q41 VanDerWaalsContact CD2-NE2 3.3Å; H37-Q41 PolarHBondContact NE2-NE2 3.07Å; H37-Q41 VanDerWaalsContact NE2-NE2 3.2Å; H37-Q41 WeakPolarHBondContact O-CG 3.36Å; H37-Q41 PolarHBondContact O-N 3.15Å; E38-Q41 PolarHBondContact O-N 2.79Å; E39-Q41 VanDerWaalsContact C-N 3.31Å; E39-Q41 PolarHBondContact O-N 2.94Å; Q41-R43 VanDerWaalsContact C-N 3.34Å; Q41-R43 PolarHBondContact O-N 3.34Å; Q41-F44 PolarHBondContact O-N 3.46Å; Q41-Q45 WeakPolarHBondContact O-CG 3.41Å; Q41-Q45 PolarHBondContact O-N 3.22Å; Q41-L116 WeakPolarHBondContact CG-O 3.25Å; Q41-Q117 PolarHBondContact NE2-O 3.49Å; Q41-L119 HydrophobicContact CG-CD1 4.1Å; Q41-L119 HydrophobicContact CG-CD2 4.25Å; Q41-L119 HydrophobicContact CG-CG 4.19Å |
| 42 | A | 93.2 | Very high | 91.2 | Very high | 49 Ų | 49 | 82.3 Ų | 82.3 | 41% | 0.405 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -62.4 | -41.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | E38 E39 Q45 N46 | E38-A42 PolarHBondContact O-N 3.24Å; E38-A42 VanDerWaalsContact O-N 3.17Å; E39-A42 PolarHBondContact O-N 2.78Å; A42-Q45 PolarHBondContact O-N 2.84Å; A42-N46 WeakPolarHBondContact O-CB 3.17Å; A42-N46 VanDerWaalsContact O-CG 3.27Å; A42-N46 PolarHBondContact O-N 2.69Å; A42-N46 PolarHBondContact O-ND2 3.03Å |
| 43 | R | 93.2 | Very high | 91.2 | Very high | 114 Ų | 114 | 78.1 Ų | 78.1 | 43% | 0.43 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -62.9 | -44.6 | 176.5 | -69.4 | -82.6 | -177.2 | -157.4 | -3.2 | 111.9 | F32 E39 R40 Q41 N46 A47 | F32-R43 HydrophobicContact CD2-CB 3.88Å; F32-R43 HydrophobicContact CD2-CG 4.12Å; F32-R43 HydrophobicContact CE2-CB 4.06Å; F32-R43 HydrophobicContact CE2-CG 4.28Å; F32-R43 HydrophobicContact CG-CG 4.47Å; E39-R43 HydrophobicContact CG-CG 4.2Å; E39-R43 WeakPolarHBondContact O-CB 3.38Å; E39-R43 WeakPolarHBondContact O-CG 3.35Å; E39-R43 PolarHBondContact O-N 3.43Å; E39-R43 IonicContact OE1-CZ 3.02Å; E39-R43 IonicContact OE1-NE 3.36Å; E39-R43 PolarHBondContact OE1-NE 2.86Å; E39-R43 IonicContact OE1-NH2 3.49Å; E39-R43 PolarHBondContact OE1-NH2 2.91Å; R40-R43 PolarHBondContact O-N 2.8Å; Q41-R43 VanDerWaalsContact C-N 3.34Å; Q41-R43 PolarHBondContact O-N 3.34Å; R43-N46 PolarHBondContact O-N 2.78Å; R43-A47 VanDerWaalsContact O-CB 3.27Å; R43-A47 WeakPolarHBondContact O-CB 3.24Å; R43-A47 PolarHBondContact O-N 2.97Å |
| 44 | F | 92.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 73.3 Ų | 73.3 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -62.2 | -45.8 | 178.4 | 174.1 | -110 | 0 | 0 | 0 | 111.7 | Y29 R40 Q41 N46 A47 C48 S53 V95 L97 I114 L116 L119 | Y29-F44 HydrophobicContact CD1-CB 4.22Å; Y29-F44 HydrophobicContact CD1-CD2 4.35Å; Y29-F44 AromaticContact CD2-CD2 3.37Å; Y29-F44 HydrophobicContact CD2-CD2 3.37Å; Y29-F44 AromaticContact CD2-CE2 3.92Å; Y29-F44 HydrophobicContact CD2-CE2 3.92Å; Y29-F44 HydrophobicContact CD2-CG 4.3Å; Y29-F44 HydrophobicContact CE1-CB 4.01Å; Y29-F44 HydrophobicContact CE2-CB 4.38Å; Y29-F44 AromaticContact CE2-CD2 3.63Å; Y29-F44 HydrophobicContact CE2-CD2 3.63Å; Y29-F44 HydrophobicContact CE2-CE2 4.47Å; Y29-F44 HydrophobicContact CE2-CG 4.47Å; Y29-F44 HydrophobicContact CG-CB 4.47Å; Y29-F44 AromaticContact CG-CD2 3.76Å; Y29-F44 HydrophobicContact CG-CD2 3.76Å; Y29-F44 HydrophobicContact CG-CE2 4.37Å; Y29-F44 HydrophobicContact CG-CG 4.34Å; R40-F44 WeakPolarHBondContact O-CB 3.18Å; R40-F44 PolarHBondContact O-N 3.08Å; Q41-F44 PolarHBondContact O-N 3.46Å; F44-N46 VanDerWaalsContact C-N 3.34Å; F44-N46 PolarHBondContact O-N 2.87Å; F44-A47 PolarHBondContact O-N 3.41Å; F44-C48 VanDerWaalsContact CZ-SG 3.52Å; F44-C48 PolarHBondContact O-N 2.89Å; F44-C48 PolarHBondContact O-SG 3.05Å; F44-S53 WeakPolarHBondContact CE2-OG 3.07Å; F44-V95 HydrophobicContact CE1-CG1 3.54Å; F44-V95 HydrophobicContact CZ-CG1 3.67Å; F44-L97 HydrophobicContact CZ-CD1 4.1Å; F44-I114 HydrophobicContact CE1-CB 4.17Å; F44-I114 HydrophobicContact CE1-CG2 3.77Å; F44-I114 HydrophobicContact CE2-CD1 3.9Å; F44-I114 HydrophobicContact CE2-CG2 4.46Å; F44-I114 HydrophobicContact CZ-CB 3.78Å; F44-I114 HydrophobicContact CZ-CD1 3.71Å; F44-I114 HydrophobicContact CZ-CG1 4.29Å; F44-I114 HydrophobicContact CZ-CG2 3.66Å; F44-L116 HydrophobicContact CD1-CD2 4.06Å; F44-L116 HydrophobicContact CE1-CD2 3.88Å; F44-L119 HydrophobicContact CB-CD2 3.98Å; F44-L119 HydrophobicContact CD1-CD2 3.8Å; F44-L119 HydrophobicContact CG-CD2 4.01Å |
| 45 | Q | 90 | Very high | 91.4 | Very high | 63 Ų | 63 | 67.5 Ų | 67.5 | 29% | 0.294 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -60.8 | -43.5 | 176.5 | -72.6 | 179.1 | 39.8 | 0 | 0 | 112 | Q41 A42 C48 R49 L116 | Q41-Q45 WeakPolarHBondContact O-CG 3.41Å; Q41-Q45 PolarHBondContact O-N 3.22Å; A42-Q45 PolarHBondContact O-N 2.84Å; Q45-C48 PolarHBondContact O-N 3.32Å; Q45-R49 WeakPolarHBondContact O-CG 3.14Å; Q45-R49 PolarHBondContact O-N 3.42Å; Q45-R49 VanDerWaalsContact O-N 3.08Å; Q45-L116 HydrophobicContact CG-CD2 3.83Å |
| 46 | N | 90.1 | Very high | 91.5 | Very high | 78 Ų | 78 | 62.3 Ų | 62.3 | 42% | 0.417 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -65 | -41 | 175.5 | -70.8 | -23.8 | 0 | 0 | 0 | 111.7 | A42 R43 F44 C48 R49 D50 | A42-N46 WeakPolarHBondContact O-CB 3.17Å; A42-N46 VanDerWaalsContact O-CG 3.27Å; A42-N46 PolarHBondContact O-N 2.69Å; A42-N46 PolarHBondContact O-ND2 3.03Å; R43-N46 PolarHBondContact O-N 2.78Å; F44-N46 VanDerWaalsContact C-N 3.34Å; F44-N46 PolarHBondContact O-N 2.87Å; N46-C48 VanDerWaalsContact C-N 3.34Å; N46-C48 PolarHBondContact O-N 3.17Å; N46-R49 CarbonylContact O-C 3.56Å; N46-R49 WeakPolarHBondContact O-CB 3.34Å; N46-R49 PolarHBondContact O-N 2.91Å; N46-R49 VanDerWaalsContact O-N 3.11Å; N46-D50 WeakPolarHBondContact O-CB 3.1Å; N46-D50 VanDerWaalsContact O-CG 3.29Å; N46-D50 PolarHBondContact O-N 3.23Å |
| 47 | A | 88.9 | Confident | 91.4 | Very high | 15 Ų | 15 | 58.1 Ų | 58.1 | 12% | 0.124 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.9 | -41 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | R43 F44 R49 D50 G51 R52 | R43-A47 VanDerWaalsContact O-CB 3.27Å; R43-A47 WeakPolarHBondContact O-CB 3.24Å; R43-A47 PolarHBondContact O-N 2.97Å; F44-A47 PolarHBondContact O-N 3.41Å; A47-R49 VanDerWaalsContact C-N 3.3Å; A47-R49 PolarHBondContact O-N 3.31Å; A47-D50 CarbonylContact O-C 3.53Å; A47-D50 WeakPolarHBondContact O-CB 3.38Å; A47-D50 PolarHBondContact O-N 3.46Å; A47-D50 VanDerWaalsContact O-N 3.11Å; A47-G51 PolarHBondContact O-N 3.46Å; A47-R52 CarbonylContact C-O 3.48Å; A47-R52 WeakPolarHBondContact CB-O 3.37Å; A47-R52 PolarHBondContact O-N 3.41Å |
| 48 | C | 87.6 | Confident | 91.4 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59.7 | -40.6 | 172.5 | -65.6 | 0 | 0 | 0 | 0 | 111.6 | F44 Q45 N46 G51 P81 V86 | F44-C48 VanDerWaalsContact CZ-SG 3.52Å; F44-C48 PolarHBondContact O-N 2.89Å; F44-C48 PolarHBondContact O-SG 3.05Å; Q45-C48 PolarHBondContact O-N 3.32Å; N46-C48 VanDerWaalsContact C-N 3.34Å; N46-C48 PolarHBondContact O-N 3.17Å; C48-G51 PolarHBondContact O-N 3.3Å; C48-P81 VanDerWaalsContact O-CG 3.28Å; C48-P81 WeakPolarHBondContact O-CG 3.07Å; C48-V86 HydrophobicContact CB-CG1 4.08Å |
| 49 | R | 84.3 | Confident | 91 | Very high | 140 Ų | 140 | 53.4 Ų | 53.4 | 53% | 0.528 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -70.1 | -30.3 | 173.9 | -68.1 | 176 | -175.9 | 163.1 | 1.5 | 113.4 | Q45 N46 A47 G51 P81 | Q45-R49 WeakPolarHBondContact O-CG 3.14Å; Q45-R49 PolarHBondContact O-N 3.42Å; Q45-R49 VanDerWaalsContact O-N 3.08Å; N46-R49 CarbonylContact O-C 3.56Å; N46-R49 WeakPolarHBondContact O-CB 3.34Å; N46-R49 PolarHBondContact O-N 2.91Å; N46-R49 VanDerWaalsContact O-N 3.11Å; A47-R49 VanDerWaalsContact C-N 3.3Å; A47-R49 PolarHBondContact O-N 3.31Å; R49-G51 PolarHBondContact O-N 3.12Å; R49-P81 WeakPolarHBondContact O-CD 3.24Å |
| 50 | D | 85 | Confident | 90.7 | Very high | 98 Ų | 98 | 53.2 Ų | 53.2 | 52% | 0.524 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -76.4 | -8.8 | 174.1 | -70.8 | -13.5 | 0 | 0 | 0 | 112.3 | N46 A47 R52 F69 | N46-D50 WeakPolarHBondContact O-CB 3.1Å; N46-D50 VanDerWaalsContact O-CG 3.29Å; N46-D50 PolarHBondContact O-N 3.23Å; A47-D50 CarbonylContact O-C 3.53Å; A47-D50 WeakPolarHBondContact O-CB 3.38Å; A47-D50 PolarHBondContact O-N 3.46Å; A47-D50 VanDerWaalsContact O-N 3.11Å; D50-R52 HydrophobicContact CB-CG 4.33Å; D50-F69 WeakPolarHBondContact O-CE2 3.43Å |
| 51 | G | 84.9 | Confident | 90.5 | Very high | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.01 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.4 | 23.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115 | A47 C48 R49 F68 F69 | A47-G51 PolarHBondContact O-N 3.46Å; C48-G51 PolarHBondContact O-N 3.3Å; R49-G51 PolarHBondContact O-N 3.12Å; G51-F68 PolarHBondContact O-N 2.75Å; G51-F69 VanDerWaalsContact CA-CE2 3.46Å |
| 52 | R | 88.7 | Confident | 90.4 | Very high | 161 Ų | 161 | 53.3 Ų | 53.3 | 61% | 0.608 | 29% | 0.289 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 146.1 | 177.7 | 60.7 | -177.8 | 177.7 | 168.8 | 0.2 | 111.9 | A47 D50 L66 | A47-R52 CarbonylContact C-O 3.48Å; A47-R52 WeakPolarHBondContact CB-O 3.37Å; A47-R52 PolarHBondContact O-N 3.41Å; D50-R52 HydrophobicContact CB-CG 4.33Å; R52-L66 WeakPolarHBondContact CA-O 3.43Å |
| 53 | S | 91.6 | Very high | 90.4 | Very high | 6 Ų | 6 | 56.3 Ų | 56.3 | 4% | 0.042 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 163.7 | 172 | -160.1 | 0 | 0 | 0 | 0 | 111.6 | F44 L66 | F44-S53 WeakPolarHBondContact CE2-OG 3.07Å; S53-L66 PolarHBondContact N-O 3.49Å; S53-L66 PolarHBondContact O-N 2.9Å |
| 54 | E | 93.4 | Very high | 90.3 | Very high | 98 Ų | 98 | 51.5 Ų | 51.5 | 46% | 0.458 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 121.4 | 177.8 | -66.7 | -178.1 | 169.5 | 0 | 0 | 109.1 | Y29 T30 | Y29-E54 WeakPolarHBondContact CD2-O 2.92Å; T30-E54 PolarHBondContact N-O 3.3Å; T30-E54 VanDerWaalsContact N-O 3.08Å; T30-E54 PolarHBondContact OG1-O 3.42Å |
| 55 | I | 95.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 157.2 | -177.9 | 65.6 | 90.6 | 0 | 0 | 0 | 110 | I27 K28 F57 N63 L64 L66 W110 I114 | I27-I55 HydrophobicContact CG2-CD1 4.27Å; K28-I55 CarbonylContact O-C 3.51Å; K28-I55 VanDerWaalsContact O-CA 3.3Å; K28-I55 WeakPolarHBondContact O-CA 3.42Å; I55-F57 HydrophobicContact CD1-CD2 4.38Å; I55-F57 HydrophobicContact CD1-CE2 4.28Å; I55-N63 CarbonylContact O-C 3.54Å; I55-N63 WeakPolarHBondContact O-CA 3.46Å; I55-L64 HydrophobicContact CD1-CB 4.11Å; I55-L64 HydrophobicContact CD1-CD1 4.44Å; I55-L64 HydrophobicContact CG1-CB 4.36Å; I55-L64 PolarHBondContact N-O 3.02Å; I55-L64 PolarHBondContact O-N 3.29Å; I55-L66 HydrophobicContact CG1-CD1 3.7Å; I55-L66 HydrophobicContact CG1-CD2 4.37Å; I55-L66 HydrophobicContact CG1-CG 3.92Å; I55-L66 HydrophobicContact CG2-CD1 4.25Å; I55-W110 HydrophobicContact CD1-CZ2 3.92Å; I55-W110 HydrophobicContact CG1-CZ2 4Å; I55-I114 HydrophobicContact CG2-CD1 3.65Å |
| 56 | A | 95.5 | Very high | 90.3 | Very high | 11 Ų | 11 | 53 Ų | 53 | 9% | 0.091 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 136.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | I27 K28 T30 V58 T62 N63 | I27-A56 CarbonylContact C-O 3.5Å; I27-A56 WeakPolarHBondContact CA-O 3.26Å; K28-A56 PolarHBondContact N-O 2.86Å; K28-A56 PolarHBondContact O-N 2.83Å; T30-A56 HydrophobicContact CG2-CB 3.4Å; T30-A56 VanDerWaalsContact CG2-CB 3.4Å; A56-V58 PolarHBondContact O-N 2.96Å; A56-T62 CarbonylContact C-O 3.56Å; A56-T62 VanDerWaalsContact CA-O 3.27Å; A56-T62 WeakPolarHBondContact CA-O 3.24Å; A56-N63 WeakPolarHBondContact CB-OD1 3.33Å |
| 57 | F | 94.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 118.2 | 165.4 | -74.1 | -82.2 | 0 | 0 | 0 | 109.4 | L21 C25 I27 I55 T60 G61 T62 L64 W110 G123 | L21-F57 HydrophobicContact CB-CZ 4.43Å; L21-F57 HydrophobicContact CD1-CD2 4.36Å; L21-F57 HydrophobicContact CD1-CE2 4.22Å; L21-F57 HydrophobicContact CD2-CB 4.03Å; L21-F57 HydrophobicContact CD2-CD1 3.89Å; L21-F57 HydrophobicContact CD2-CD2 3.62Å; L21-F57 HydrophobicContact CD2-CE1 4.18Å; L21-F57 HydrophobicContact CD2-CE2 3.93Å; L21-F57 HydrophobicContact CD2-CG 3.58Å; L21-F57 HydrophobicContact CD2-CZ 4.19Å; L21-F57 HydrophobicContact CG-CE2 4.49Å; C25-F57 HydrophobicContact CB-CD1 3.53Å; C25-F57 HydrophobicContact CB-CE1 3.88Å; I27-F57 HydrophobicContact CG2-CD1 3.65Å; I27-F57 HydrophobicContact CG2-CE1 3.83Å; I27-F57 HydrophobicContact CG2-CG 4.2Å; I27-F57 HydrophobicContact CG2-CZ 4.49Å; I55-F57 HydrophobicContact CD1-CD2 4.38Å; I55-F57 HydrophobicContact CD1-CE2 4.28Å; F57-T60 VanDerWaalsContact CB-OG1 3.28Å; F57-T60 WeakPolarHBondContact CB-OG1 3.41Å; F57-G61 VanDerWaalsContact O-CA 3.24Å; F57-G61 WeakPolarHBondContact O-CA 3.32Å; F57-G61 PolarHBondContact O-N 2.83Å; F57-T62 PolarHBondContact N-O 2.99Å; F57-T62 PolarHBondContact O-N 2.93Å; F57-L64 HydrophobicContact CD2-CD1 4.3Å; F57-L64 HydrophobicContact CE2-CD1 3.59Å; F57-L64 HydrophobicContact CE2-CG 4.29Å; F57-W110 AromaticContact CE2-NE1 3.84Å; F57-W110 AromaticContact CZ-CD1 3.72Å; F57-W110 AromaticContact CZ-NE1 3.46Å; F57-G123 WeakPolarHBondContact CE1-O 3.44Å |
| 58 | V | 92.4 | Very high | 89.9 | Confident | 63 Ų | 63 | 52.7 Ų | 52.7 | 38% | 0.382 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -41.8 | -175.3 | 178.9 | 0 | 0 | 0 | 0 | 111 | E26 K28 A56 T60 | E26-V58 HydrophobicContact CB-CB 4.17Å; E26-V58 HydrophobicContact CB-CG2 4.23Å; E26-V58 HydrophobicContact CG-CB 4.3Å; E26-V58 HydrophobicContact CG-CG2 3.89Å; E26-V58 PolarHBondContact O-N 3.04Å; K28-V58 HydrophobicContact CB-CG2 4.35Å; K28-V58 HydrophobicContact CD-CG2 3.84Å; K28-V58 HydrophobicContact CG-CG2 3.69Å; A56-V58 PolarHBondContact O-N 2.96Å; V58-T60 VanDerWaalsContact C-N 3.33Å; V58-T60 PolarHBondContact O-N 3.4Å |
| 59 | A | 86.4 | Confident | 89.3 | Confident | 83 Ų | 83 | 54.3 Ų | 54.3 | 69% | 0.686 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -34.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 60 | T | 88.9 | Confident | 88.3 | Confident | 54 Ų | 54 | 49.1 Ų | 49.1 | 33% | 0.331 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.4 | -11.1 | -176.4 | 59.5 | 0 | 0 | 0 | 0 | 113.4 | K20 L21 F57 V58 T62 | K20-T60 HydrophobicContact CB-CG2 4.24Å; K20-T60 HydrophobicContact CD-CG2 4.36Å; L21-T60 HydrophobicContact CD2-CG2 3.98Å; F57-T60 VanDerWaalsContact CB-OG1 3.28Å; F57-T60 WeakPolarHBondContact CB-OG1 3.41Å; V58-T60 VanDerWaalsContact C-N 3.33Å; V58-T60 PolarHBondContact O-N 3.4Å; T60-T62 PolarHBondContact O-N 2.94Å; T60-T62 WeakPolarHBondContact OG1-CB 3.45Å; T60-T62 PolarHBondContact OG1-N 2.83Å; T60-T62 PolarHBondContact OG1-OG1 2.81Å |
| 61 | G | 89.9 | Confident | 87 | Confident | 53 Ų | 53 | 45.8 Ų | 45.8 | 55% | 0.546 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65 | 15.2 | -171.2 | 0 | 0 | 0 | 0 | 0 | 114 | F57 N63 | F57-G61 VanDerWaalsContact O-CA 3.24Å; F57-G61 WeakPolarHBondContact O-CA 3.32Å; F57-G61 PolarHBondContact O-N 2.83Å; G61-N63 PolarHBondContact O-N 3.12Å |
| 62 | T | 91.3 | Very high | 85.5 | Confident | 32 Ų | 32 | 50.8 Ų | 50.8 | 20% | 0.196 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 118.9 | -176.8 | -58 | 0 | 0 | 0 | 0 | 110.3 | F17 L21 A56 F57 T60 L64 | F17-T62 HydrophobicContact CE2-CG2 4.06Å; F17-T62 HydrophobicContact CZ-CG2 4.12Å; L21-T62 HydrophobicContact CD1-CG2 4.33Å; A56-T62 CarbonylContact C-O 3.56Å; A56-T62 VanDerWaalsContact CA-O 3.27Å; A56-T62 WeakPolarHBondContact CA-O 3.24Å; F57-T62 PolarHBondContact N-O 2.99Å; F57-T62 PolarHBondContact O-N 2.93Å; T60-T62 PolarHBondContact O-N 2.94Å; T60-T62 WeakPolarHBondContact OG1-CB 3.45Å; T60-T62 PolarHBondContact OG1-N 2.83Å; T60-T62 PolarHBondContact OG1-OG1 2.81Å; T62-L64 HydrophobicContact CG2-CD2 4.26Å |
| 63 | N | 93.3 | Very high | 83.9 | Confident | 112 Ų | 112 | 49.8 Ų | 49.8 | 60% | 0.599 | 30% | 0.3 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 134.8 | 174 | -59.9 | -54.4 | 0 | 0 | 0 | 110.5 | I55 A56 G61 | I55-N63 CarbonylContact O-C 3.54Å; I55-N63 WeakPolarHBondContact O-CA 3.46Å; A56-N63 WeakPolarHBondContact CB-OD1 3.33Å; G61-N63 PolarHBondContact O-N 3.12Å |
| 64 | L | 91.7 | Very high | 81.9 | Confident | 14 Ų | 14 | 56.3 Ų | 56.3 | 7% | 0.073 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 130.7 | 173.4 | -64 | -173.8 | 0 | 0 | 0 | 110.5 | I55 F57 T62 L66 L103 L125 | I55-L64 HydrophobicContact CD1-CB 4.11Å; I55-L64 HydrophobicContact CD1-CD1 4.44Å; I55-L64 HydrophobicContact CG1-CB 4.36Å; I55-L64 PolarHBondContact N-O 3.02Å; I55-L64 PolarHBondContact O-N 3.29Å; F57-L64 HydrophobicContact CD2-CD1 4.3Å; F57-L64 HydrophobicContact CE2-CD1 3.59Å; F57-L64 HydrophobicContact CE2-CG 4.29Å; T62-L64 HydrophobicContact CG2-CD2 4.26Å; L64-L66 HydrophobicContact CB-CD2 4.01Å; L64-L66 HydrophobicContact CD1-CD2 4.4Å; L64-L103 HydrophobicContact CD2-CD1 3.74Å; L64-L125 HydrophobicContact CD1-CD2 4.47Å |
| 65 | S | 91.8 | Very high | 79.9 | Confident | 89 Ų | 89 | 55.2 Ų | 55.2 | 62% | 0.622 | 35% | 0.346 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 109.7 | 164.9 | -57.9 | 0 | 0 | 0 | 0 | 108.3 | M101 | S65-M101 WeakPolarHBondContact O-CE 3.32Å |
| 66 | L | 90.4 | Very high | 77.8 | Confident | 4 Ų | 4 | 62 Ų | 62 | 2% | 0.021 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 136.9 | -179.2 | -56.3 | -175.3 | 0 | 0 | 0 | 110.5 | R52 S53 I55 L64 F68 A99 M101 W110 | R52-L66 WeakPolarHBondContact CA-O 3.43Å; S53-L66 PolarHBondContact N-O 3.49Å; S53-L66 PolarHBondContact O-N 2.9Å; I55-L66 HydrophobicContact CG1-CD1 3.7Å; I55-L66 HydrophobicContact CG1-CD2 4.37Å; I55-L66 HydrophobicContact CG1-CG 3.92Å; I55-L66 HydrophobicContact CG2-CD1 4.25Å; L64-L66 HydrophobicContact CB-CD2 4.01Å; L64-L66 HydrophobicContact CD1-CD2 4.4Å; L66-F68 HydrophobicContact CB-CE1 3.82Å; L66-F68 HydrophobicContact CB-CZ 4.01Å; L66-F68 HydrophobicContact CD1-CE1 3.99Å; L66-F68 HydrophobicContact CD1-CZ 4.24Å; L66-A99 HydrophobicContact CB-CB 3.96Å; L66-A99 HydrophobicContact CD1-CB 4.45Å; L66-A99 HydrophobicContact CD2-CB 4.06Å; L66-A99 HydrophobicContact CG-CB 4.38Å; L66-M101 HydrophobicContact CD2-CE 3.65Å; L66-W110 HydrophobicContact CD1-CD2 3.67Å; L66-W110 HydrophobicContact CD1-CE3 3.4Å; L66-W110 HydrophobicContact CD1-CG 4.45Å; L66-W110 HydrophobicContact CD1-CH2 3.7Å; L66-W110 HydrophobicContact CD1-CZ2 3.92Å; L66-W110 HydrophobicContact CD1-CZ3 3.43Å; L66-W110 VanDerWaalsContact CD1-CZ3 3.43Å; L66-W110 HydrophobicContact CD2-CB 4.11Å; L66-W110 HydrophobicContact CD2-CD2 3.98Å; L66-W110 HydrophobicContact CD2-CE3 4.31Å; L66-W110 HydrophobicContact CD2-CG 3.9Å; L66-W110 HydrophobicContact CG-CE3 4.49Å |
| 67 | Q | 87.6 | Confident | 75.5 | Confident | 87 Ų | 87 | 69.5 Ų | 69.5 | 41% | 0.407 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 125.9 | 168.8 | -169 | 167.5 | 29.2 | 0 | 0 | 108.4 | F69 | Q67-F69 VanDerWaalsContact C-N 3.25Å; Q67-F69 HydrophobicContact CG-CB 4.47Å; Q67-F69 HydrophobicContact CG-CD2 4.04Å; Q67-F69 PolarHBondContact O-N 2.85Å |
| 68 | F | 83.5 | Confident | 73.5 | Confident | 0 Ų | 0 | 81.3 Ų | 81.3 | 0% | 0 | 46% | 0.455 | C | S | . | . | trans | -93.1 | 26.6 | -173.9 | -53.7 | -52 | 0 | 0 | 0 | 112.2 | G51 L66 P81 Y85 V86 L97 K98 A99 | G51-F68 PolarHBondContact O-N 2.75Å; L66-F68 HydrophobicContact CB-CE1 3.82Å; L66-F68 HydrophobicContact CB-CZ 4.01Å; L66-F68 HydrophobicContact CD1-CE1 3.99Å; L66-F68 HydrophobicContact CD1-CZ 4.24Å; F68-P81 HydrophobicContact CB-CB 3.95Å; F68-Y85 WeakPolarHBondContact O-CB 3.47Å; F68-Y85 WeakPolarHBondContact O-CD2 3.4Å; F68-V86 HydrophobicContact CB-CG2 3.82Å; F68-V86 HydrophobicContact CD1-CG2 4.35Å; F68-V86 HydrophobicContact CD2-CG2 3.62Å; F68-V86 HydrophobicContact CE2-CG2 4.33Å; F68-V86 HydrophobicContact CG-CG2 3.68Å; F68-L97 HydrophobicContact CE1-CB 4.01Å; F68-L97 HydrophobicContact CE1-CD1 4.37Å; F68-L97 HydrophobicContact CE1-CD2 3.99Å; F68-L97 HydrophobicContact CE1-CG 4.35Å; F68-L97 HydrophobicContact CE2-CD2 4.08Å; F68-L97 HydrophobicContact CZ-CB 4.38Å; F68-L97 HydrophobicContact CZ-CD1 3.93Å; F68-L97 HydrophobicContact CZ-CD2 3.76Å; F68-L97 HydrophobicContact CZ-CG 4.25Å; F68-K98 WeakPolarHBondContact CD1-O 3.39Å; F68-A99 HydrophobicContact CD1-CB 3.92Å; F68-A99 HydrophobicContact CE1-CB 4.07Å | ||
| 69 | F | 76 | Confident | 72 | Confident | 35 Ų | 35 | 82.3 Ų | 82.3 | 15% | 0.154 | 46% | 0.455 | C | S | . | . | S | Bend | trans | -125.5 | 150.1 | 177.5 | -58.1 | -73.6 | 0 | 0 | 0 | 110.4 | D50 G51 Q67 A71 Q79 P81 | D50-F69 WeakPolarHBondContact O-CE2 3.43Å; G51-F69 VanDerWaalsContact CA-CE2 3.46Å; Q67-F69 VanDerWaalsContact C-N 3.25Å; Q67-F69 HydrophobicContact CG-CB 4.47Å; Q67-F69 HydrophobicContact CG-CD2 4.04Å; Q67-F69 PolarHBondContact O-N 2.85Å; F69-A71 PolarHBondContact O-N 3.36Å; F69-Q79 WeakPolarHBondContact CE1-O 3.47Å; F69-Q79 WeakPolarHBondContact CZ-O 3.5Å; F69-P81 VanDerWaalsContact CE1-CA 3.49Å; F69-P81 HydrophobicContact CE1-CB 3.96Å; F69-P81 HydrophobicContact CZ-CB 4.15Å; F69-P81 HydrophobicContact CZ-CG 4.46Å |
| 70 | P | 62.4 | Low | 70.8 | Confident | 30 Ų | 30 | 83.8 Ų | 83.8 | 20% | 0.195 | 46% | 0.456 | C | S | . | . | trans | -58.4 | 138.9 | 168.5 | -14.3 | 26.4 | 0 | 0 | 0 | 110.2 | S72 W73 Y85 | P70-S72 PolarHBondContact O-N 3.34Å; P70-W73 HydrophobicContact CB-CG 4.35Å; P70-W73 HydrophobicContact CG-CD2 4.37Å; P70-W73 HydrophobicContact CG-CG 4.27Å; P70-W73 WeakPolarHBondContact O-CB 3.13Å; P70-W73 PolarHBondContact O-N 2.82Å; P70-Y85 HydrophobicContact CG-CE2 4.35Å | ||
| 71 | A | 58 | Low | 70 | Confident | 28 Ų | 28 | 81.9 Ų | 81.9 | 23% | 0.231 | 45% | 0.445 | C | S | . | . | G | 310 helix | trans | -62.5 | -19.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | F69 W73 | F69-A71 PolarHBondContact O-N 3.36Å; A71-W73 PolarHBondContact O-N 3.46Å |
| 72 | S | 53.9 | Low | 69.5 | Low | 106 Ų | 106 | 82 Ų | 82 | 74% | 0.741 | 44% | 0.437 | S | S | * | . | G | 310 helix | trans | -69.5 | -9.5 | 174.2 | 42.9 | 0 | 0 | 0 | 0 | 113.8 | P70 | P70-S72 PolarHBondContact O-N 3.34Š|
| 73 | W | 55.5 | Low | 69 | Low | 140 Ų | 140 | 88.5 Ų | 88.5 | 53% | 0.53 | 46% | 0.458 | S | S | . | . | G | 310 helix | trans | -102.3 | 12.3 | -174 | -66.2 | 36.6 | 0 | 0 | 0 | 112.4 | P70 A71 G75 | P70-W73 HydrophobicContact CB-CG 4.35Å; P70-W73 HydrophobicContact CG-CD2 4.37Å; P70-W73 HydrophobicContact CG-CG 4.27Å; P70-W73 WeakPolarHBondContact O-CB 3.13Å; P70-W73 PolarHBondContact O-N 2.82Å; A71-W73 PolarHBondContact O-N 3.46Å; W73-G75 PolarHBondContact O-N 3.26Å |
| 74 | Q | 49.4 | Very low | 68.6 | Low | 143 Ų | 143 | 88.9 Ų | 88.9 | 67% | 0.668 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | 90.8 | 172.5 | -72.5 | -167.2 | -11.2 | 0 | 0 | 110.4 | ||
| 75 | G | 51.4 | Low | 68.4 | Low | 76 Ų | 76 | 90.1 Ų | 90.1 | 78% | 0.784 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 152 | -23.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | W73 | W73-G75 PolarHBondContact O-N 3.26Š|
| 76 | E | 49.4 | Very low | 68.3 | Low | 142 Ų | 142 | 86.5 Ų | 86.5 | 66% | 0.664 | 43% | 0.434 | S | S | * | . | S | Bend | trans | -83.7 | 133.8 | -177.5 | -139.1 | 80.4 | 174.9 | 0 | 0 | 110.8 | R78 | E76-R78 PolarHBondContact O-N 3.03Š|
| 77 | Q | 47.5 | Very low | 68.3 | Low | 168 Ų | 168 | 88.6 Ų | 88.6 | 79% | 0.785 | 45% | 0.446 | S | S | * | . | S | Bend | trans | -35.7 | 124.3 | 176.9 | -82.7 | -84.9 | -17.5 | 0 | 0 | 113.8 | Q79 | Q77-Q79 WeakPolarHBondContact O-CG 3.27Å; Q77-Q79 PolarHBondContact O-N 3.48Å |
| 78 | R | 53.3 | Low | 68.3 | Low | 248 Ų | 248 | 87.6 Ų | 87.6 | 94% | 0.936 | 44% | 0.443 | S | S | * | . | trans | 3.2 | 76.3 | 166.1 | -72.9 | -178.1 | 177.7 | -169.5 | -0.6 | 114.5 | E76 | E76-R78 PolarHBondContact O-N 3.03Š| ||
| 79 | Q | 59.4 | Low | 68.4 | Low | 84 Ų | 84 | 94 Ų | 94 | 39% | 0.393 | 47% | 0.473 | S | S | . | . | P | Polyproline II helix | trans | -90.2 | 140.1 | 171.6 | -81.9 | 165.9 | 12.3 | 0 | 0 | 109 | F69 Q77 | F69-Q79 WeakPolarHBondContact CE1-O 3.47Å; F69-Q79 WeakPolarHBondContact CZ-O 3.5Å; Q77-Q79 WeakPolarHBondContact O-CG 3.27Å; Q77-Q79 PolarHBondContact O-N 3.48Å |
| 80 | T | 62.9 | Low | 69.1 | Low | 114 Ų | 114 | 100.2 Ų | 100.2 | 70% | 0.699 | 50% | 0.495 | S | S | * | . | P | Polyproline II helix | trans | -70.9 | 135.1 | 174.1 | -43.2 | 0 | 0 | 0 | 0 | 108.4 | S82 | T80-S82 PolarHBondContact O-N 2.8Š|
| 81 | P | 72 | Confident | 70.4 | Confident | 14 Ų | 14 | 102.4 Ų | 102.4 | 9% | 0.091 | 50% | 0.503 | C | S | . | . | P | Polyproline II helix | trans | -58.8 | 141.5 | 177 | 26.1 | -33.8 | 0 | 0 | 0 | 109.9 | C48 R49 F68 F69 V86 | C48-P81 VanDerWaalsContact O-CG 3.28Å; C48-P81 WeakPolarHBondContact O-CG 3.07Å; R49-P81 WeakPolarHBondContact O-CD 3.24Å; F68-P81 HydrophobicContact CB-CB 3.95Å; F69-P81 VanDerWaalsContact CE1-CA 3.49Å; F69-P81 HydrophobicContact CE1-CB 3.96Å; F69-P81 HydrophobicContact CZ-CB 4.15Å; F69-P81 HydrophobicContact CZ-CG 4.46Å; P81-V86 HydrophobicContact CB-CB 4.44Å; P81-V86 HydrophobicContact CB-CG2 3.81Å; P81-V86 HydrophobicContact CG-CB 4.25Å; P81-V86 HydrophobicContact CG-CG2 3.76Å |
| 82 | S | 78.3 | Confident | 71.9 | Confident | 57 Ų | 57 | 105.9 Ų | 105.9 | 40% | 0.399 | 53% | 0.532 | S | S | . | . | P | Polyproline II helix | trans | -67.6 | 158.4 | 178.9 | 72.4 | 0 | 0 | 0 | 0 | 110.5 | T80 E84 Y85 V86 | T80-S82 PolarHBondContact O-N 2.8Å; S82-E84 PolarHBondContact O-N 2.85Å; S82-E84 VanDerWaalsContact O-N 3.1Å; S82-Y85 PolarHBondContact O-N 3Å; S82-Y85 WeakPolarHBondContact OG-CD2 3.41Å; S82-V86 PolarHBondContact O-N 2.97Å |
| 83 | R | 81.7 | Confident | 73.6 | Confident | 167 Ų | 167 | 102.5 Ų | 102.5 | 63% | 0.63 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -22.3 | 175.3 | -74 | -177.3 | 165.8 | -145.7 | -6.9 | 113.6 | Y85 V86 E89 | R83-Y85 VanDerWaalsContact C-N 3.32Å; R83-V86 WeakPolarHBondContact CA-O 3.22Å; R83-E89 IonicContact CZ-OE1 3.33Å; R83-E89 IonicContact CZ-OE2 3.74Å; R83-E89 IonicContact NH1-OE2 3.92Å; R83-E89 PolarHBondContact NH1-OE2 2.87Å; R83-E89 IonicContact NH2-OE1 3.34Å; R83-E89 PolarHBondContact NH2-OE1 3.41Å; R83-E89 IonicContact NH2-OE2 2.75Å; R83-E89 PolarHBondContact NH2-OE2 3.46Å |
| 84 | E | 85.1 | Confident | 75.5 | Confident | 121 Ų | 121 | 98 Ų | 98 | 57% | 0.565 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -33.8 | 175.4 | -169.1 | -171.3 | 116.4 | 0 | 0 | 112.2 | S82 K98 | S82-E84 PolarHBondContact O-N 2.85Å; S82-E84 VanDerWaalsContact O-N 3.1Å; E84-K98 IonicContact OE1-NZ 3.43Å; E84-K98 PolarHBondContact OE1-NZ 2.78Å |
| 85 | Y | 87.3 | Confident | 77.6 | Confident | 40 Ų | 40 | 91.1 Ų | 91.1 | 16% | 0.157 | 47% | 0.466 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | -31.3 | -178.7 | -61.7 | -68 | 0 | 0 | 0 | 113.1 | F68 P70 S82 R83 L97 K98 P100 | F68-Y85 WeakPolarHBondContact O-CB 3.47Å; F68-Y85 WeakPolarHBondContact O-CD2 3.4Å; P70-Y85 HydrophobicContact CG-CE2 4.35Å; S82-Y85 PolarHBondContact O-N 3Å; S82-Y85 WeakPolarHBondContact OG-CD2 3.41Å; R83-Y85 VanDerWaalsContact C-N 3.32Å; Y85-L97 CarbonylContact O-C 3.56Å; Y85-L97 WeakPolarHBondContact O-CA 3.39Å; Y85-K98 HydrophobicContact CD1-CB 4.31Å; Y85-K98 HydrophobicContact CD1-CD 4.34Å; Y85-K98 HydrophobicContact CD1-CG 4.23Å; Y85-K98 VanDerWaalsContact CD1-O 3.3Å; Y85-K98 WeakPolarHBondContact CD1-O 3.2Å; Y85-K98 HydrophobicContact CE1-CD 4.49Å; Y85-K98 PolarHBondContact O-N 2.89Å; Y85-P100 HydrophobicContact CE1-CG 3.89Å |
| 86 | V | 90.3 | Very high | 79.6 | Confident | 12 Ų | 12 | 89.7 Ų | 89.7 | 7% | 0.073 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 105.7 | 178.6 | -177.6 | 0 | 0 | 0 | 0 | 109.3 | C48 F68 P81 S82 R83 L88 V95 L97 | C48-V86 HydrophobicContact CB-CG1 4.08Å; F68-V86 HydrophobicContact CB-CG2 3.82Å; F68-V86 HydrophobicContact CD1-CG2 4.35Å; F68-V86 HydrophobicContact CD2-CG2 3.62Å; F68-V86 HydrophobicContact CE2-CG2 4.33Å; F68-V86 HydrophobicContact CG-CG2 3.68Å; P81-V86 HydrophobicContact CB-CB 4.44Å; P81-V86 HydrophobicContact CB-CG2 3.81Å; P81-V86 HydrophobicContact CG-CB 4.25Å; P81-V86 HydrophobicContact CG-CG2 3.76Å; S82-V86 PolarHBondContact O-N 2.97Å; R83-V86 WeakPolarHBondContact CA-O 3.22Å; V86-L88 HydrophobicContact CG1-CD1 4.45Å; V86-L88 HydrophobicContact CG1-CG 4.39Å; V86-V95 HydrophobicContact CG1-CG2 3.97Å; V86-L97 HydrophobicContact CB-CD2 4.18Å; V86-L97 HydrophobicContact CG1-CD2 3.89Å; V86-L97 HydrophobicContact CG2-CD2 3.82Å |
| 87 | D | 90.2 | Very high | 81.7 | Confident | 48 Ų | 48 | 83.2 Ų | 83.2 | 26% | 0.257 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 105 | 179.9 | -169.2 | -14.2 | 0 | 0 | 0 | 110.6 | E89 R90 V95 Y96 | D87-E89 PolarHBondContact OD1-N 3.19Å; D87-R90 PolarHBondContact OD1-N 3.22Å; D87-R90 WeakPolarHBondContact OD2-CB 3.45Å; D87-V95 WeakPolarHBondContact O-CA 3.43Å; D87-Y96 PolarHBondContact N-O 3.1Å; D87-Y96 PolarHBondContact O-N 3.06Å |
| 88 | L | 86.6 | Confident | 83.9 | Confident | 67 Ų | 67 | 77.5 Ų | 77.5 | 35% | 0.351 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -94.4 | -11.5 | 177 | -70 | 155.6 | 0 | 0 | 0 | 112.5 | V86 V95 L116 | V86-L88 HydrophobicContact CG1-CD1 4.45Å; V86-L88 HydrophobicContact CG1-CG 4.39Å; L88-V95 HydrophobicContact CD2-CB 3.77Å; L88-V95 HydrophobicContact CD2-CG2 3.59Å; L88-V95 HydrophobicContact CG-CG2 3.91Å; L88-L116 HydrophobicContact CD2-CD1 4.37Å; L88-L116 HydrophobicContact CD2-CD2 4.48Å |
| 89 | E | 86.7 | Confident | 85.8 | Confident | 133 Ų | 133 | 65.7 Ų | 65.7 | 62% | 0.621 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -99.2 | -19.6 | -172.3 | -69.2 | -171.1 | 168.7 | 0 | 0 | 112.7 | R83 D87 E91 | R83-E89 IonicContact CZ-OE1 3.33Å; R83-E89 IonicContact CZ-OE2 3.74Å; R83-E89 IonicContact NH1-OE2 3.92Å; R83-E89 PolarHBondContact NH1-OE2 2.87Å; R83-E89 IonicContact NH2-OE1 3.34Å; R83-E89 PolarHBondContact NH2-OE1 3.41Å; R83-E89 IonicContact NH2-OE2 2.75Å; R83-E89 PolarHBondContact NH2-OE2 3.46Å; D87-E89 PolarHBondContact OD1-N 3.19Å; E89-E91 VanDerWaalsContact C-N 3.3Å; E89-E91 PolarHBondContact O-N 3.08Å |
| 90 | R | 89.1 | Confident | 87.3 | Confident | 167 Ų | 167 | 62.4 Ų | 62.4 | 63% | 0.63 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -55.9 | -40.8 | 179.7 | -176.2 | 168.4 | -178.8 | -177 | 1.3 | 114 | D87 Y96 | D87-R90 PolarHBondContact OD1-N 3.22Å; D87-R90 WeakPolarHBondContact OD2-CB 3.45Å; R90-Y96 HydrophobicContact CB-CD2 3.88Å; R90-Y96 HydrophobicContact CB-CE2 4.15Å; R90-Y96 HydrophobicContact CG-CD2 3.97Å; R90-Y96 HydrophobicContact CG-CE2 3.87Å |
| 91 | E | 91.1 | Very high | 88.5 | Confident | 75 Ų | 75 | 58.3 Ų | 58.3 | 35% | 0.35 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -149.6 | 126.6 | -179.9 | -165.8 | 177.7 | 140.6 | 0 | 0 | 111 | E89 G93 K94 Y96 | E89-E91 VanDerWaalsContact C-N 3.3Å; E89-E91 PolarHBondContact O-N 3.08Å; E91-G93 PolarHBondContact O-N 3.45Å; E91-K94 HydrophobicContact CB-CB 4.41Å; E91-K94 HydrophobicContact CG-CD 4.44Å; E91-K94 PolarHBondContact O-N 3.3Å; E91-K94 VanDerWaalsContact O-N 3.12Å; E91-K94 VanDerWaalsContact O-O 3.08Å; E91-K94 VanDerWaalsContact OE1-CD 3.24Å; E91-K94 WeakPolarHBondContact OE1-CD 3.34Å; E91-K94 WeakPolarHBondContact OE1-CE 3.44Å; E91-K94 IonicContact OE1-NZ 3.27Å; E91-K94 PolarHBondContact OE1-NZ 2.96Å; E91-K94 IonicContact OE2-NZ 2.74Å; E91-Y96 HydrophobicContact CB-CE2 3.87Å; E91-Y96 PolarHBondContact OE2-OH 3.35Å |
| 92 | A | 89.1 | Confident | 89.3 | Confident | 102 Ų | 102 | 59.7 Ų | 59.7 | 84% | 0.843 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | 127 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | K94 | A92-K94 VanDerWaalsContact C-N 3.33Š|
| 93 | G | 90.1 | Very high | 89.9 | Confident | 35 Ų | 35 | 58.2 Ų | 58.2 | 36% | 0.361 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.6 | -3.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | E91 L116 | E91-G93 PolarHBondContact O-N 3.45Å; G93-L116 WeakPolarHBondContact O-CB 3.3Å; G93-L116 PolarHBondContact O-N 3.41Å |
| 94 | K | 94.9 | Very high | 90.1 | Very high | 44 Ų | 44 | 54.6 Ų | 54.6 | 19% | 0.191 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 156.2 | 173 | -65 | -179.7 | -173.6 | 163.4 | 0 | 111.2 | E91 A92 Y96 W113 I114 | E91-K94 HydrophobicContact CB-CB 4.41Å; E91-K94 HydrophobicContact CG-CD 4.44Å; E91-K94 PolarHBondContact O-N 3.3Å; E91-K94 VanDerWaalsContact O-N 3.12Å; E91-K94 VanDerWaalsContact O-O 3.08Å; E91-K94 VanDerWaalsContact OE1-CD 3.24Å; E91-K94 WeakPolarHBondContact OE1-CD 3.34Å; E91-K94 WeakPolarHBondContact OE1-CE 3.44Å; E91-K94 IonicContact OE1-NZ 3.27Å; E91-K94 PolarHBondContact OE1-NZ 2.96Å; E91-K94 IonicContact OE2-NZ 2.74Å; A92-K94 VanDerWaalsContact C-N 3.33Å; K94-Y96 HydrophobicContact CB-CE2 4.48Å; K94-W113 HydrophobicContact CD-CD2 4.12Å; K94-W113 HydrophobicContact CD-CE3 3.54Å; K94-W113 HydrophobicContact CD-CZ3 3.8Å; K94-W113 HydrophobicContact CG-CE3 4.08Å; K94-W113 HydrophobicContact CG-CZ3 4.37Å; K94-I114 CarbonylContact C-O 3.59Å; K94-I114 WeakPolarHBondContact CA-O 3.48Å |
| 95 | V | 93.5 | Very high | 90.2 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 126.6 | 169.1 | 62.8 | 0 | 0 | 0 | 0 | 108.9 | F44 V86 D87 L88 L97 W113 I114 L116 | F44-V95 HydrophobicContact CE1-CG1 3.54Å; F44-V95 HydrophobicContact CZ-CG1 3.67Å; V86-V95 HydrophobicContact CG1-CG2 3.97Å; D87-V95 WeakPolarHBondContact O-CA 3.43Å; L88-V95 HydrophobicContact CD2-CB 3.77Å; L88-V95 HydrophobicContact CD2-CG2 3.59Å; L88-V95 HydrophobicContact CG-CG2 3.91Å; V95-L97 HydrophobicContact CG1-CD1 4.1Å; V95-L97 HydrophobicContact CG1-CD2 4.5Å; V95-L97 HydrophobicContact CG1-CG 4.15Å; V95-L97 HydrophobicContact CG2-CD2 3.66Å; V95-L97 HydrophobicContact CG2-CG 3.98Å; V95-W113 CarbonylContact O-C 3.55Å; V95-W113 WeakPolarHBondContact O-CA 3.05Å; V95-I114 HydrophobicContact CG1-CB 4.12Å; V95-I114 PolarHBondContact N-O 3.25Å; V95-I114 PolarHBondContact O-N 3.44Å; V95-L116 HydrophobicContact CB-CD2 4.22Å; V95-L116 HydrophobicContact CG1-CD2 4.04Å |
| 96 | Y | 94.2 | Very high | 90.3 | Very high | 46 Ų | 46 | 47.5 Ų | 47.5 | 18% | 0.18 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 133.3 | 171 | -70.8 | -102.5 | 0 | 0 | 0 | 108.6 | D87 R90 E91 K94 G112 W113 | D87-Y96 PolarHBondContact N-O 3.1Å; D87-Y96 PolarHBondContact O-N 3.06Å; R90-Y96 HydrophobicContact CB-CD2 3.88Å; R90-Y96 HydrophobicContact CB-CE2 4.15Å; R90-Y96 HydrophobicContact CG-CD2 3.97Å; R90-Y96 HydrophobicContact CG-CE2 3.87Å; E91-Y96 HydrophobicContact CB-CE2 3.87Å; E91-Y96 PolarHBondContact OE2-OH 3.35Å; K94-Y96 HydrophobicContact CB-CE2 4.48Å; Y96-G112 WeakPolarHBondContact CA-O 3.28Å; Y96-W113 HydrophobicContact CD1-CB 3.72Å; Y96-W113 HydrophobicContact CD1-CG 4.45Å; Y96-W113 HydrophobicContact CD2-CB 4.31Å; Y96-W113 HydrophobicContact CE1-CB 3.8Å; Y96-W113 AromaticContact CE1-CD1 3.99Å; Y96-W113 HydrophobicContact CE1-CG 4.09Å; Y96-W113 HydrophobicContact CE2-CB 4.38Å; Y96-W113 HydrophobicContact CG-CB 3.99Å |
| 97 | L | 93.7 | Very high | 90.4 | Very high | 5 Ų | 5 | 47 Ų | 47 | 3% | 0.026 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 136.5 | -168.3 | -66.6 | 174.1 | 0 | 0 | 0 | 108.7 | F44 F68 Y85 V86 V95 W110 K111 G112 I114 | F44-L97 HydrophobicContact CZ-CD1 4.1Å; F68-L97 HydrophobicContact CE1-CB 4.01Å; F68-L97 HydrophobicContact CE1-CD1 4.37Å; F68-L97 HydrophobicContact CE1-CD2 3.99Å; F68-L97 HydrophobicContact CE1-CG 4.35Å; F68-L97 HydrophobicContact CE2-CD2 4.08Å; F68-L97 HydrophobicContact CZ-CB 4.38Å; F68-L97 HydrophobicContact CZ-CD1 3.93Å; F68-L97 HydrophobicContact CZ-CD2 3.76Å; F68-L97 HydrophobicContact CZ-CG 4.25Å; Y85-L97 CarbonylContact O-C 3.56Å; Y85-L97 WeakPolarHBondContact O-CA 3.39Å; V86-L97 HydrophobicContact CB-CD2 4.18Å; V86-L97 HydrophobicContact CG1-CD2 3.89Å; V86-L97 HydrophobicContact CG2-CD2 3.82Å; V95-L97 HydrophobicContact CG1-CD1 4.1Å; V95-L97 HydrophobicContact CG1-CD2 4.5Å; V95-L97 HydrophobicContact CG1-CG 4.15Å; V95-L97 HydrophobicContact CG2-CD2 3.66Å; V95-L97 HydrophobicContact CG2-CG 3.98Å; L97-W110 HydrophobicContact CB-CH2 4.14Å; L97-W110 HydrophobicContact CB-CZ3 3.51Å; L97-W110 WeakPolarHBondContact O-CZ3 3.25Å; L97-K111 WeakPolarHBondContact O-CA 3.44Å; L97-G112 PolarHBondContact N-O 3.03Å; L97-G112 PolarHBondContact O-N 3.36Å; L97-I114 HydrophobicContact CD1-CD1 4.2Å |
| 98 | K | 93.3 | Very high | 90.5 | Very high | 48 Ų | 48 | 44.7 Ų | 44.7 | 21% | 0.209 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 128.6 | 175.4 | 178.4 | -172.6 | 176 | -166.7 | 0 | 108 | F68 E84 Y85 I109 W110 K111 | F68-K98 WeakPolarHBondContact CD1-O 3.39Å; E84-K98 IonicContact OE1-NZ 3.43Å; E84-K98 PolarHBondContact OE1-NZ 2.78Å; Y85-K98 HydrophobicContact CD1-CB 4.31Å; Y85-K98 HydrophobicContact CD1-CD 4.34Å; Y85-K98 HydrophobicContact CD1-CG 4.23Å; Y85-K98 VanDerWaalsContact CD1-O 3.3Å; Y85-K98 WeakPolarHBondContact CD1-O 3.2Å; Y85-K98 HydrophobicContact CE1-CD 4.49Å; Y85-K98 PolarHBondContact O-N 2.89Å; K98-I109 HydrophobicContact CD-CG2 4.29Å; K98-I109 HydrophobicContact CG-CG2 3.54Å; K98-W110 CarbonylContact C-O 3.45Å; K98-W110 WeakPolarHBondContact CA-O 3.49Å; K98-K111 HydrophobicContact CG-CG 4.22Å |
| 99 | A | 92.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 108.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | L66 F68 W110 | L66-A99 HydrophobicContact CB-CB 3.96Å; L66-A99 HydrophobicContact CD1-CB 4.45Å; L66-A99 HydrophobicContact CD2-CB 4.06Å; L66-A99 HydrophobicContact CG-CB 4.38Å; F68-A99 HydrophobicContact CD1-CB 3.92Å; F68-A99 HydrophobicContact CE1-CB 4.07Å; A99-W110 HydrophobicContact CB-CB 4.41Å; A99-W110 HydrophobicContact CB-CE3 4.41Å; A99-W110 PolarHBondContact N-O 2.85Å; A99-W110 PolarHBondContact O-N 2.89Å |
| 100 | P | 90.6 | Very high | 91.3 | Very high | 15 Ų | 15 | 36.1 Ų | 36.1 | 10% | 0.097 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 124.9 | -179.6 | 37.6 | -36.9 | 0 | 0 | 0 | 110.5 | Y85 I109 R131 | Y85-P100 HydrophobicContact CE1-CG 3.89Å; P100-I109 HydrophobicContact CB-CG1 4.03Å; P100-R131 VanDerWaalsContact CB-NH1 3.29Å; P100-R131 PolarHBondContact O-NH1 3.41Å |
| 101 | M | 89 | Confident | 91.6 | Very high | 29 Ų | 29 | 31.5 Ų | 31.5 | 14% | 0.143 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 163.6 | -174.8 | 58.7 | 173.9 | 48.3 | 0 | 0 | 113.3 | S65 L66 L103 V108 | S65-M101 WeakPolarHBondContact O-CE 3.32Å; L66-M101 HydrophobicContact CD2-CE 3.65Å; M101-L103 HydrophobicContact SD-CD1 4.06Å; M101-V108 HydrophobicContact CG-CG2 3.86Å; M101-V108 PolarHBondContact N-O 3.32Å; M101-V108 PolarHBondContact O-N 2.61Å |
| 102 | I | 89.4 | Confident | 91.8 | Very high | 43 Ų | 43 | 28.5 Ų | 28.5 | 22% | 0.221 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 113.4 | 172.3 | -55.7 | 176 | 0 | 0 | 0 | 106.9 | R3 V4 V106 E135 | R3-I102 HydrophobicContact CB-CD1 4.43Å; V4-I102 HydrophobicContact CG1-CD1 4.26Å; V4-I102 HydrophobicContact CG1-CG2 4.2Å; I102-V106 WeakPolarHBondContact CA-O 3.47Å; I102-E135 HydrophobicContact CD1-CG 4.22Å |
| 103 | L | 89.6 | Confident | 92.1 | Very high | 25 Ų | 25 | 26.4 Ų | 26.4 | 13% | 0.131 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 124.8 | -177.7 | -160.6 | 111 | 0 | 0 | 0 | 109.5 | F17 F18 L64 M101 G105 V106 V108 | F17-L103 HydrophobicContact CD1-CD2 4.2Å; F17-L103 HydrophobicContact CE1-CD2 3.16Å; F17-L103 HydrophobicContact CZ-CD2 3.66Å; F18-L103 HydrophobicContact CE1-CB 4.25Å; F18-L103 HydrophobicContact CE1-CD2 3.6Å; F18-L103 HydrophobicContact CZ-CB 4.4Å; F18-L103 HydrophobicContact CZ-CD2 3.9Å; F18-L103 WeakPolarHBondContact CZ-O 3.36Å; L64-L103 HydrophobicContact CD2-CD1 3.74Å; M101-L103 HydrophobicContact SD-CD1 4.06Å; L103-G105 PolarHBondContact O-N 2.84Å; L103-V106 PolarHBondContact N-O 2.81Å; L103-V106 PolarHBondContact O-N 2.83Å; L103-V108 HydrophobicContact CB-CG2 3.99Å |
| 104 | N | 87.1 | Confident | 92.4 | Very high | 91 Ų | 91 | 24.7 Ų | 24.7 | 49% | 0.487 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.7 | 31.4 | -175.7 | -62.2 | -19.2 | 0 | 0 | 0 | 114.1 | K11 F18 | K11-N104 PolarHBondContact NZ-O 2.88Å; F18-N104 HydrophobicContact CZ-CB 4.29Å |
| 105 | G | 85.8 | Confident | 92.4 | Very high | 13 Ų | 13 | 24.2 Ų | 24.2 | 13% | 0.134 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.6 | 10.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | V4 V5 L103 | V4-G105 CarbonylContact C-O 3.58Å; V4-G105 VanDerWaalsContact CA-O 3.25Å; V4-G105 WeakPolarHBondContact CA-O 3.32Å; V4-G105 WeakPolarHBondContact CB-O 3.44Å; V5-G105 WeakPolarHBondContact CG2-O 3.24Å; V5-G105 PolarHBondContact N-O 2.87Å; L103-G105 PolarHBondContact O-N 2.84Å |
| 106 | V | 90.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 126.8 | 175.9 | -178 | 0 | 0 | 0 | 0 | 109.1 | V5 Q8 K11 F12 F18 I102 L103 V108 F127 | V5-V106 HydrophobicContact CG2-CG2 4.19Å; Q8-V106 HydrophobicContact CB-CG1 4.27Å; K11-V106 HydrophobicContact CB-CG2 4.04Å; K11-V106 HydrophobicContact CD-CG2 3.75Å; K11-V106 HydrophobicContact CG-CG2 3.96Å; F12-V106 HydrophobicContact CB-CG1 3.99Å; F12-V106 HydrophobicContact CD2-CG1 4.16Å; F18-V106 HydrophobicContact CE1-CB 4.48Å; F18-V106 HydrophobicContact CE2-CB 4.23Å; F18-V106 HydrophobicContact CE2-CG2 3.81Å; F18-V106 HydrophobicContact CZ-CB 3.87Å; F18-V106 HydrophobicContact CZ-CG1 4.49Å; F18-V106 HydrophobicContact CZ-CG2 3.94Å; I102-V106 WeakPolarHBondContact CA-O 3.47Å; L103-V106 PolarHBondContact N-O 2.81Å; L103-V106 PolarHBondContact O-N 2.83Å; V106-V108 HydrophobicContact CB-CG1 4.38Å; V106-V108 HydrophobicContact CG1-CG1 3.8Å; V106-V108 PolarHBondContact O-N 2.85Å; V106-F127 HydrophobicContact CG1-CD2 3.93Å; V106-F127 HydrophobicContact CG1-CE2 3.92Å |
| 107 | C | 91.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 117.7 | 170.5 | -68.3 | 0 | 0 | 0 | 0 | 110 | Q8 F127 D128 R131 A132 | Q8-C107 PolarHBondContact OE1-SG 3.36Å; C107-F127 WeakPolarHBondContact O-CD2 3.19Å; C107-D128 HydrophobicContact CB-CB 4.18Å; C107-D128 PolarHBondContact O-N 2.96Å; C107-D128 VanDerWaalsContact O-N 3.1Å; C107-R131 HydrophobicContact CB-CB 4.43Å; C107-A132 HydrophobicContact CB-CB 4Å |
| 108 | V | 93.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 151.9 | -180 | -61.8 | 0 | 0 | 0 | 0 | 110.5 | F12 F18 M101 L103 V106 L125 E126 | F12-V108 HydrophobicContact CD2-CG1 3.67Å; F12-V108 HydrophobicContact CE2-CG1 3.66Å; F18-V108 HydrophobicContact CD1-CG1 4.36Å; F18-V108 HydrophobicContact CE1-CG1 3.99Å; M101-V108 HydrophobicContact CG-CG2 3.86Å; M101-V108 PolarHBondContact N-O 3.32Å; M101-V108 PolarHBondContact O-N 2.61Å; L103-V108 HydrophobicContact CB-CG2 3.99Å; V106-V108 HydrophobicContact CB-CG1 4.38Å; V106-V108 HydrophobicContact CG1-CG1 3.8Å; V106-V108 PolarHBondContact O-N 2.85Å; V108-L125 HydrophobicContact CG2-CD2 4.16Å; V108-E126 CarbonylContact C-O 3.49Å; V108-E126 WeakPolarHBondContact CA-O 3.45Å; V108-E126 WeakPolarHBondContact CB-O 3.49Å |
| 109 | I | 94.2 | Very high | 92.5 | Very high | 20 Ų | 20 | 35.3 Ų | 35.3 | 10% | 0.103 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 119.2 | 168.4 | -64 | 156 | 0 | 0 | 0 | 107.5 | K98 P100 K111 E126 D128 | K98-I109 HydrophobicContact CD-CG2 4.29Å; K98-I109 HydrophobicContact CG-CG2 3.54Å; P100-I109 HydrophobicContact CB-CG1 4.03Å; I109-K111 HydrophobicContact CG2-CG 3.85Å; I109-E126 PolarHBondContact N-O 2.94Å; I109-E126 PolarHBondContact O-N 3.5Å; I109-D128 HydrophobicContact CD1-CB 3.84Å; I109-D128 VanDerWaalsContact CD1-CG 3.49Å; I109-D128 WeakPolarHBondContact CD1-OD2 3.48Å; I109-D128 HydrophobicContact CG1-CB 3.84Å; I109-D128 WeakPolarHBondContact CG1-OD2 3.07Å |
| 110 | W | 94.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 133 | 165.6 | -176.9 | 94.2 | 0 | 0 | 0 | 109.2 | I27 I55 F57 L66 L97 K98 A99 C124 L125 | I27-W110 HydrophobicContact CD1-CH2 3.88Å; I27-W110 HydrophobicContact CD1-CZ2 3.47Å; I27-W110 VanDerWaalsContact CD1-CZ2 3.47Å; I55-W110 HydrophobicContact CD1-CZ2 3.92Å; I55-W110 HydrophobicContact CG1-CZ2 4Å; F57-W110 AromaticContact CE2-NE1 3.84Å; F57-W110 AromaticContact CZ-CD1 3.72Å; F57-W110 AromaticContact CZ-NE1 3.46Å; L66-W110 HydrophobicContact CD1-CD2 3.67Å; L66-W110 HydrophobicContact CD1-CE3 3.4Å; L66-W110 HydrophobicContact CD1-CG 4.45Å; L66-W110 HydrophobicContact CD1-CH2 3.7Å; L66-W110 HydrophobicContact CD1-CZ2 3.92Å; L66-W110 HydrophobicContact CD1-CZ3 3.43Å; L66-W110 VanDerWaalsContact CD1-CZ3 3.43Å; L66-W110 HydrophobicContact CD2-CB 4.11Å; L66-W110 HydrophobicContact CD2-CD2 3.98Å; L66-W110 HydrophobicContact CD2-CE3 4.31Å; L66-W110 HydrophobicContact CD2-CG 3.9Å; L66-W110 HydrophobicContact CG-CE3 4.49Å; L97-W110 HydrophobicContact CB-CH2 4.14Å; L97-W110 HydrophobicContact CB-CZ3 3.51Å; L97-W110 WeakPolarHBondContact O-CZ3 3.25Å; K98-W110 CarbonylContact C-O 3.45Å; K98-W110 WeakPolarHBondContact CA-O 3.49Å; A99-W110 HydrophobicContact CB-CB 4.41Å; A99-W110 HydrophobicContact CB-CE3 4.41Å; A99-W110 PolarHBondContact N-O 2.85Å; A99-W110 PolarHBondContact O-N 2.89Å; W110-C124 WeakPolarHBondContact CA-O 3.5Å; W110-L125 HydrophobicContact CB-CD2 3.69Å; W110-L125 HydrophobicContact CG-CD2 4.1Å |
| 111 | K | 94.9 | Very high | 93 | Very high | 70 Ų | 70 | 35.8 Ų | 35.8 | 30% | 0.304 | 17% | 0.173 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 142.1 | 173.4 | -64.2 | -174.5 | -174.6 | 166.1 | 0 | 109.3 | L97 K98 I109 G123 C124 E126 | L97-K111 WeakPolarHBondContact O-CA 3.44Å; K98-K111 HydrophobicContact CG-CG 4.22Å; I109-K111 HydrophobicContact CG2-CG 3.85Å; K111-G123 CarbonylContact O-C 3.46Å; K111-G123 WeakPolarHBondContact O-CA 3.45Å; K111-C124 PolarHBondContact N-O 2.75Å; K111-C124 PolarHBondContact O-N 2.7Å; K111-E126 WeakPolarHBondContact CE-OE2 3.46Å; K111-E126 IonicContact NZ-OE1 3Å; K111-E126 PolarHBondContact NZ-OE1 2.99Å; K111-E126 IonicContact NZ-OE2 2.7Å; K111-E126 PolarHBondContact NZ-OE2 3.07Å |
| 112 | G | 95.5 | Very high | 93.3 | Very high | 12 Ų | 12 | 36.8 Ų | 36.8 | 12% | 0.124 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -175.9 | 179.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y96 L97 M122 | Y96-G112 WeakPolarHBondContact CA-O 3.28Å; L97-G112 PolarHBondContact N-O 3.03Å; L97-G112 PolarHBondContact O-N 3.36Å; G112-M122 CarbonylContact C-O 3.59Å; G112-M122 WeakPolarHBondContact CA-O 3.23Å |
| 113 | W | 95.7 | Very high | 93.6 | Very high | 58 Ų | 58 | 34.9 Ų | 34.9 | 22% | 0.22 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 149.7 | 171.2 | 61.3 | -93 | 0 | 0 | 0 | 110.2 | K94 V95 Y96 D115 G121 M122 | K94-W113 HydrophobicContact CD-CD2 4.12Å; K94-W113 HydrophobicContact CD-CE3 3.54Å; K94-W113 HydrophobicContact CD-CZ3 3.8Å; K94-W113 HydrophobicContact CG-CE3 4.08Å; K94-W113 HydrophobicContact CG-CZ3 4.37Å; V95-W113 CarbonylContact O-C 3.55Å; V95-W113 WeakPolarHBondContact O-CA 3.05Å; Y96-W113 HydrophobicContact CD1-CB 3.72Å; Y96-W113 HydrophobicContact CD1-CG 4.45Å; Y96-W113 HydrophobicContact CD2-CB 4.31Å; Y96-W113 HydrophobicContact CE1-CB 3.8Å; Y96-W113 AromaticContact CE1-CD1 3.99Å; Y96-W113 HydrophobicContact CE1-CG 4.09Å; Y96-W113 HydrophobicContact CE2-CB 4.38Å; Y96-W113 HydrophobicContact CG-CB 3.99Å; W113-D115 HydrophobicContact CZ3-CB 4.48Å; W113-G121 WeakPolarHBondContact O-CA 3.48Å; W113-M122 HydrophobicContact CH2-CG 4.45Å; W113-M122 HydrophobicContact CZ2-CB 4.12Å; W113-M122 HydrophobicContact CZ2-CG 3.66Å; W113-M122 PolarHBondContact N-O 3.1Å; W113-M122 PolarHBondContact O-N 3Å; W113-M122 VanDerWaalsContact O-N 3.08Å |
| 114 | I | 96.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 134.8 | 177.7 | -64.7 | 179.2 | 0 | 0 | 0 | 109 | I27 F44 I55 K94 V95 L97 D120 | I27-I114 HydrophobicContact CD1-CD1 4.07Å; I27-I114 HydrophobicContact CD1-CG1 3.71Å; I27-I114 HydrophobicContact CG1-CG1 4.4Å; F44-I114 HydrophobicContact CE1-CB 4.17Å; F44-I114 HydrophobicContact CE1-CG2 3.77Å; F44-I114 HydrophobicContact CE2-CD1 3.9Å; F44-I114 HydrophobicContact CE2-CG2 4.46Å; F44-I114 HydrophobicContact CZ-CB 3.78Å; F44-I114 HydrophobicContact CZ-CD1 3.71Å; F44-I114 HydrophobicContact CZ-CG1 4.29Å; F44-I114 HydrophobicContact CZ-CG2 3.66Å; I55-I114 HydrophobicContact CG2-CD1 3.65Å; K94-I114 CarbonylContact C-O 3.59Å; K94-I114 WeakPolarHBondContact CA-O 3.48Å; V95-I114 HydrophobicContact CG1-CB 4.12Å; V95-I114 PolarHBondContact N-O 3.25Å; V95-I114 PolarHBondContact O-N 3.44Å; L97-I114 HydrophobicContact CD1-CD1 4.2Å; I114-D120 WeakPolarHBondContact CA-O 3.41Å |
| 115 | D | 96.2 | Very high | 94.3 | Very high | 33 Ų | 33 | 30.5 Ų | 30.5 | 18% | 0.176 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 125.4 | 170.6 | -174.2 | -64.4 | 0 | 0 | 0 | 110.2 | W113 Q117 R118 L119 D120 | W113-D115 HydrophobicContact CZ3-CB 4.48Å; D115-Q117 VanDerWaalsContact C-N 3.26Å; D115-Q117 PolarHBondContact O-N 3.11Å; D115-Q117 WeakPolarHBondContact OD1-CA 3.38Å; D115-Q117 WeakPolarHBondContact OD1-CB 3.09Å; D115-Q117 PolarHBondContact OD1-N 2.81Å; D115-R118 HydrophobicContact CB-CB 4.14Å; D115-R118 PolarHBondContact OD1-N 2.97Å; D115-L119 VanDerWaalsContact O-CA 3.3Å; D115-L119 WeakPolarHBondContact O-CA 3.34Å; D115-L119 PolarHBondContact O-N 3.44Å; D115-D120 WeakPolarHBondContact CB-O 3.36Å; D115-D120 PolarHBondContact N-O 3.02Å |
| 116 | L | 93.6 | Very high | 94.7 | Very high | 27 Ų | 27 | 33.7 Ų | 33.7 | 14% | 0.141 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -23.2 | -176 | -67.2 | 176.1 | 0 | 0 | 0 | 113 | Q41 F44 Q45 L88 G93 V95 | Q41-L116 WeakPolarHBondContact CG-O 3.25Å; F44-L116 HydrophobicContact CD1-CD2 4.06Å; F44-L116 HydrophobicContact CE1-CD2 3.88Å; Q45-L116 HydrophobicContact CG-CD2 3.83Å; L88-L116 HydrophobicContact CD2-CD1 4.37Å; L88-L116 HydrophobicContact CD2-CD2 4.48Å; G93-L116 WeakPolarHBondContact O-CB 3.3Å; G93-L116 PolarHBondContact O-N 3.41Å; V95-L116 HydrophobicContact CB-CD2 4.22Å; V95-L116 HydrophobicContact CG1-CD2 4.04Å |
| 117 | Q | 92.8 | Very high | 94.8 | Very high | 142 Ų | 142 | 35.9 Ų | 35.9 | 66% | 0.664 | 17% | 0.167 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.5 | -45.4 | 176.6 | -67.1 | -172.8 | -0.7 | 0 | 0 | 111.2 | H37 Q41 D115 | H37-Q117 PolarHBondContact CE1-O 3.11Å; H37-Q117 PolarHBondContact NE2-O 3.29Å; Q41-Q117 PolarHBondContact NE2-O 3.49Å; D115-Q117 VanDerWaalsContact C-N 3.26Å; D115-Q117 PolarHBondContact O-N 3.11Å; D115-Q117 WeakPolarHBondContact OD1-CA 3.38Å; D115-Q117 WeakPolarHBondContact OD1-CB 3.09Å; D115-Q117 PolarHBondContact OD1-N 2.81Å |
| 118 | R | 94.7 | Very high | 94.9 | Very high | 158 Ų | 158 | 36.8 Ų | 36.8 | 60% | 0.596 | 17% | 0.173 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | -22.4 | -174.1 | -65.7 | 173.8 | 53.8 | 178.1 | -3.8 | 113.7 | D115 D120 | D115-R118 HydrophobicContact CB-CB 4.14Å; D115-R118 PolarHBondContact OD1-N 2.97Å; R118-D120 VanDerWaalsContact CB-OD1 3.23Å; R118-D120 WeakPolarHBondContact CB-OD1 3.3Å; R118-D120 IonicContact CZ-OD1 3.34Å; R118-D120 IonicContact CZ-OD2 3.82Å; R118-D120 VanDerWaalsContact CZ-OD2 3.27Å; R118-D120 IonicContact NE-OD1 3.82Å; R118-D120 PolarHBondContact NE-OD1 3.08Å; R118-D120 VanDerWaalsContact NE-OD1 3.11Å; R118-D120 IonicContact NE-OD2 3.03Å; R118-D120 PolarHBondContact NE-OD2 2.73Å; R118-D120 IonicContact NH2-OD1 3.88Å; R118-D120 IonicContact NH2-OD2 3.66Å; R118-D120 PolarHBondContact NH2-OD2 3.05Å; R118-D120 PolarHBondContact O-N 2.86Å |
| 119 | L | 95.3 | Very high | 94.7 | Very high | 6 Ų | 6 | 41.4 Ų | 41.4 | 3% | 0.031 | 19% | 0.194 | C | C | . | . | S | Bend | trans | 59.8 | 29.2 | -174.6 | -53.9 | 178 | 0 | 0 | 0 | 113 | Y29 R40 Q41 F44 D115 | Y29-L119 HydrophobicContact CD1-CD1 4.15Å; Y29-L119 PolarHBondContact N-O 2.83Å; R40-L119 HydrophobicContact CB-CD1 3.63Å; Q41-L119 HydrophobicContact CG-CD1 4.1Å; Q41-L119 HydrophobicContact CG-CD2 4.25Å; Q41-L119 HydrophobicContact CG-CG 4.19Å; F44-L119 HydrophobicContact CB-CD2 3.98Å; F44-L119 HydrophobicContact CD1-CD2 3.8Å; F44-L119 HydrophobicContact CG-CD2 4.01Å; D115-L119 VanDerWaalsContact O-CA 3.3Å; D115-L119 WeakPolarHBondContact O-CA 3.34Å; D115-L119 PolarHBondContact O-N 3.44Å |
| 120 | D | 96.1 | Very high | 94.4 | Very high | 21 Ų | 21 | 48.1 Ų | 48.1 | 11% | 0.112 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 167.2 | 172.3 | 63.7 | 21.9 | 0 | 0 | 0 | 110.2 | I27 K28 I114 D115 R118 | I27-D120 CarbonylContact O-C 3.05Å; I27-D120 WeakPolarHBondContact O-CA 3.22Å; K28-D120 HydrophobicContact CG-CB 3.91Å; I114-D120 WeakPolarHBondContact CA-O 3.41Å; D115-D120 WeakPolarHBondContact CB-O 3.36Å; D115-D120 PolarHBondContact N-O 3.02Å; R118-D120 VanDerWaalsContact CB-OD1 3.23Å; R118-D120 WeakPolarHBondContact CB-OD1 3.3Å; R118-D120 IonicContact CZ-OD1 3.34Å; R118-D120 IonicContact CZ-OD2 3.82Å; R118-D120 VanDerWaalsContact CZ-OD2 3.27Å; R118-D120 IonicContact NE-OD1 3.82Å; R118-D120 PolarHBondContact NE-OD1 3.08Å; R118-D120 VanDerWaalsContact NE-OD1 3.11Å; R118-D120 IonicContact NE-OD2 3.03Å; R118-D120 PolarHBondContact NE-OD2 2.73Å; R118-D120 IonicContact NH2-OD1 3.88Å; R118-D120 IonicContact NH2-OD2 3.66Å; R118-D120 PolarHBondContact NH2-OD2 3.05Å; R118-D120 PolarHBondContact O-N 2.86Å |
| 121 | G | 96.1 | Very high | 94 | Very high | 4 Ų | 4 | 49.5 Ų | 49.5 | 4% | 0.041 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 174.3 | -153.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | E26 I27 W113 | E26-G121 WeakPolarHBondContact CA-O 3.12Å; I27-G121 VanDerWaalsContact CG1-C 3.4Å; I27-G121 WeakPolarHBondContact CG1-O 3.23Å; I27-G121 PolarHBondContact N-O 2.8Å; I27-G121 PolarHBondContact O-N 2.98Å; W113-G121 WeakPolarHBondContact O-CA 3.48Å |
| 122 | M | 96.4 | Very high | 93.6 | Very high | 50 Ų | 50 | 46.5 Ų | 46.5 | 25% | 0.246 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 144.2 | -179.1 | -58.1 | -64.1 | -71.4 | 0 | 0 | 110.9 | E24 C25 E26 I27 G112 W113 | E24-M122 HydrophobicContact CB-CE 4.37Å; E24-M122 HydrophobicContact CG-CB 3.88Å; E24-M122 HydrophobicContact CG-CE 3.7Å; E24-M122 HydrophobicContact CG-CG 4.49Å; C25-M122 CarbonylContact O-C 3.57Å; C25-M122 WeakPolarHBondContact O-CA 3.44Å; E26-M122 HydrophobicContact CB-SD 4.21Å; I27-M122 WeakPolarHBondContact CD1-O 3.46Å; G112-M122 CarbonylContact C-O 3.59Å; G112-M122 WeakPolarHBondContact CA-O 3.23Å; W113-M122 HydrophobicContact CH2-CG 4.45Å; W113-M122 HydrophobicContact CZ2-CB 4.12Å; W113-M122 HydrophobicContact CZ2-CG 3.66Å; W113-M122 PolarHBondContact N-O 3.1Å; W113-M122 PolarHBondContact O-N 3Å; W113-M122 VanDerWaalsContact O-N 3.08Å |
| 123 | G | 95.9 | Very high | 93.2 | Very high | 2 Ų | 2 | 51.9 Ų | 51.9 | 2% | 0.021 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 165.1 | 174 | 0 | 0 | 0 | 0 | 0 | 113 | C25 F57 K111 | C25-G123 PolarHBondContact N-O 2.75Å; C25-G123 PolarHBondContact O-N 2.83Å; F57-G123 WeakPolarHBondContact CE1-O 3.44Å; K111-G123 CarbonylContact O-C 3.46Å; K111-G123 WeakPolarHBondContact O-CA 3.45Å |
| 124 | C | 94.9 | Very high | 92.6 | Very high | 23 Ų | 23 | 55 Ų | 55 | 16% | 0.155 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 166.8 | 177.4 | 59.6 | 0 | 0 | 0 | 0 | 111.2 | L21 W110 K111 | L21-C124 CarbonylContact O-C 3.48Å; L21-C124 VanDerWaalsContact O-CA 3.26Å; L21-C124 WeakPolarHBondContact O-CA 3.28Å; W110-C124 WeakPolarHBondContact CA-O 3.5Å; K111-C124 PolarHBondContact N-O 2.75Å; K111-C124 PolarHBondContact O-N 2.7Å |
| 125 | L | 94.9 | Very high | 92.1 | Very high | 2 Ų | 2 | 56.3 Ų | 56.3 | 1% | 0.01 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 135.9 | 169.6 | -66.1 | -179.9 | 0 | 0 | 0 | 110.6 | F12 F18 L21 S22 L64 V108 W110 | F12-L125 HydrophobicContact CE2-CB 4.29Å; F18-L125 HydrophobicContact CD1-CD1 4.15Å; F18-L125 HydrophobicContact CE1-CD1 4.41Å; L21-L125 HydrophobicContact CB-CB 4.49Å; L21-L125 HydrophobicContact CB-CD1 3.67Å; L21-L125 HydrophobicContact CB-CG 4.01Å; L21-L125 HydrophobicContact CD1-CD1 3.8Å; L21-L125 HydrophobicContact CG-CD1 4.41Å; L21-L125 PolarHBondContact O-N 3.01Å; S22-L125 VanDerWaalsContact CA-O 3.25Å; S22-L125 WeakPolarHBondContact CA-O 3.3Å; S22-L125 WeakPolarHBondContact CB-O 3.3Å; L64-L125 HydrophobicContact CD1-CD2 4.47Å; V108-L125 HydrophobicContact CG2-CD2 4.16Å; W110-L125 HydrophobicContact CB-CD2 3.69Å; W110-L125 HydrophobicContact CG-CD2 4.1Å |
| 126 | E | 94.9 | Very high | 91.5 | Very high | 79 Ų | 79 | 57.2 Ų | 57.2 | 37% | 0.369 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 149.6 | 170.2 | -67.1 | -178.6 | -170 | 0 | 0 | 110 | V108 I109 K111 | V108-E126 CarbonylContact C-O 3.49Å; V108-E126 WeakPolarHBondContact CA-O 3.45Å; V108-E126 WeakPolarHBondContact CB-O 3.49Å; I109-E126 PolarHBondContact N-O 2.94Å; I109-E126 PolarHBondContact O-N 3.5Å; K111-E126 WeakPolarHBondContact CE-OE2 3.46Å; K111-E126 IonicContact NZ-OE1 3Å; K111-E126 PolarHBondContact NZ-OE1 2.99Å; K111-E126 IonicContact NZ-OE2 2.7Å; K111-E126 PolarHBondContact NZ-OE2 3.07Å |
| 127 | F | 93.5 | Very high | 91 | Very high | 46 Ų | 46 | 58 Ų | 58 | 20% | 0.202 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 133.3 | 174.8 | -178 | -111.9 | 0 | 0 | 0 | 110.5 | Q8 R9 F12 V106 C107 E129 A132 | Q8-F127 HydrophobicContact CB-CE2 3.79Å; Q8-F127 HydrophobicContact CB-CZ 4.08Å; R9-F127 HydrophobicContact CB-CE1 3.96Å; R9-F127 HydrophobicContact CB-CE2 4.5Å; R9-F127 HydrophobicContact CB-CZ 3.92Å; R9-F127 HydrophobicContact CG-CE1 4.3Å; F12-F127 HydrophobicContact CB-CD2 4.03Å; F12-F127 HydrophobicContact CD1-CB 3.82Å; F12-F127 HydrophobicContact CD2-CB 4.38Å; F12-F127 HydrophobicContact CD2-CD2 4.43Å; F12-F127 HydrophobicContact CE1-CB 3.93Å; F12-F127 HydrophobicContact CE2-CB 4.48Å; F12-F127 HydrophobicContact CG-CB 4.05Å; F12-F127 HydrophobicContact CG-CD2 4.12Å; F12-F127 HydrophobicContact CG-CG 4.44Å; F12-F127 HydrophobicContact CZ-CB 4.27Å; V106-F127 HydrophobicContact CG1-CD2 3.93Å; V106-F127 HydrophobicContact CG1-CE2 3.92Å; C107-F127 WeakPolarHBondContact O-CD2 3.19Å; F127-E129 HydrophobicContact CD1-CB 4.07Å; F127-E129 HydrophobicContact CE1-CB 3.86Å; F127-E129 HydrophobicContact CE1-CG 4.24Å; F127-A132 HydrophobicContact CE1-CB 4.3Å; F127-A132 HydrophobicContact CE2-CB 4.06Å; F127-A132 HydrophobicContact CZ-CB 3.53Å |
| 128 | D | 93.1 | Very high | 90.6 | Very high | 20 Ų | 20 | 55.3 Ų | 55.3 | 11% | 0.107 | 27% | 0.269 | C | S | . | . | trans | -99.5 | 87.7 | 178.9 | -167.4 | -19.1 | 0 | 0 | 0 | 109.8 | C107 I109 R131 A132 | C107-D128 HydrophobicContact CB-CB 4.18Å; C107-D128 PolarHBondContact O-N 2.96Å; C107-D128 VanDerWaalsContact O-N 3.1Å; I109-D128 HydrophobicContact CD1-CB 3.84Å; I109-D128 VanDerWaalsContact CD1-CG 3.49Å; I109-D128 WeakPolarHBondContact CD1-OD2 3.48Å; I109-D128 HydrophobicContact CG1-CB 3.84Å; I109-D128 WeakPolarHBondContact CG1-OD2 3.07Å; D128-R131 HydrophobicContact CB-CB 4.15Å; D128-R131 VanDerWaalsContact OD1-CB 3.3Å; D128-R131 WeakPolarHBondContact OD1-CB 2.93Å; D128-R131 PolarHBondContact OD1-N 2.82Å; D128-R131 VanDerWaalsContact OD1-N 3.08Å; D128-R131 WeakPolarHBondContact OD2-CB 3.02Å; D128-A132 WeakPolarHBondContact O-CB 3.43Å; D128-A132 PolarHBondContact O-N 2.83Å | ||
| 129 | E | 89.3 | Confident | 89.9 | Confident | 97 Ų | 97 | 48.6 Ų | 48.6 | 45% | 0.453 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -66.4 | -39.8 | -174.7 | -174.2 | 164.2 | -150.2 | 0 | 0 | 112.6 | R9 F127 A132 Q133 | R9-E129 IonicContact NH1-OE1 3.06Å; R9-E129 PolarHBondContact NH1-OE1 3.44Å; F127-E129 HydrophobicContact CD1-CB 4.07Å; F127-E129 HydrophobicContact CE1-CB 3.86Å; F127-E129 HydrophobicContact CE1-CG 4.24Å; E129-A132 PolarHBondContact O-N 2.9Å; E129-Q133 WeakPolarHBondContact O-CG 3.25Å; E129-Q133 PolarHBondContact O-N 2.95Å |
| 130 | E | 88 | Confident | 89.1 | Confident | 161 Ų | 161 | 53.3 Ų | 53.3 | 75% | 0.752 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -63.8 | -49.7 | 179.2 | -174 | 179.8 | 95.8 | 0 | 0 | 110.6 | Q133 Q134 | E130-Q133 PolarHBondContact O-N 3.43Å; E130-Q134 PolarHBondContact O-N 3.44Å; E130-Q134 VanDerWaalsContact O-N 3.07Å |
| 131 | R | 85.3 | Confident | 88.3 | Confident | 29 Ų | 29 | 58 Ų | 58 | 11% | 0.109 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -71.8 | -31.7 | 179.1 | -165.7 | 173.9 | 166.9 | -172.6 | -10.2 | 112.5 | P100 C107 D128 Q133 Q134 E135 | P100-R131 VanDerWaalsContact CB-NH1 3.29Å; P100-R131 PolarHBondContact O-NH1 3.41Å; C107-R131 HydrophobicContact CB-CB 4.43Å; D128-R131 HydrophobicContact CB-CB 4.15Å; D128-R131 VanDerWaalsContact OD1-CB 3.3Å; D128-R131 WeakPolarHBondContact OD1-CB 2.93Å; D128-R131 PolarHBondContact OD1-N 2.82Å; D128-R131 VanDerWaalsContact OD1-N 3.08Å; D128-R131 WeakPolarHBondContact OD2-CB 3.02Å; R131-Q133 VanDerWaalsContact C-N 3.35Å; R131-Q134 PolarHBondContact O-N 3.48Å; R131-E135 HydrophobicContact CG-CG 4.26Å; R131-E135 WeakPolarHBondContact O-CB 3.39Å; R131-E135 WeakPolarHBondContact O-CG 3.39Å; R131-E135 PolarHBondContact O-N 2.9Å |
| 132 | A | 87.4 | Confident | 87.6 | Confident | 7 Ų | 7 | 60.6 Ų | 60.6 | 6% | 0.058 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -59.9 | -46.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q8 C107 F127 D128 E129 D136 | Q8-A132 PolarHBondContact NE2-O 3.4Å; C107-A132 HydrophobicContact CB-CB 4Å; F127-A132 HydrophobicContact CE1-CB 4.3Å; F127-A132 HydrophobicContact CE2-CB 4.06Å; F127-A132 HydrophobicContact CZ-CB 3.53Å; D128-A132 WeakPolarHBondContact O-CB 3.43Å; D128-A132 PolarHBondContact O-N 2.83Å; E129-A132 PolarHBondContact O-N 2.9Å; A132-D136 WeakPolarHBondContact O-CB 3.38Å; A132-D136 PolarHBondContact O-N 3.49Å |
| 133 | Q | 86 | Confident | 86.6 | Confident | 125 Ų | 125 | 64.6 Ų | 64.6 | 58% | 0.584 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -63.3 | -43.2 | 176.8 | -72 | 175.5 | 22.7 | 0 | 0 | 111.9 | E129 E130 R131 D136 A137 | E129-Q133 WeakPolarHBondContact O-CG 3.25Å; E129-Q133 PolarHBondContact O-N 2.95Å; E130-Q133 PolarHBondContact O-N 3.43Å; R131-Q133 VanDerWaalsContact C-N 3.35Å; Q133-D136 PolarHBondContact O-N 3.07Å; Q133-A137 WeakPolarHBondContact O-CB 3.2Å; Q133-A137 PolarHBondContact O-N 3.35Å |
| 134 | Q | 84.9 | Confident | 85.8 | Confident | 123 Ų | 123 | 70.8 Ų | 70.8 | 58% | 0.575 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -65 | -46.4 | 179.6 | -169.1 | 176 | 19.5 | 0 | 0 | 112.3 | E130 R131 D136 A137 L138 | E130-Q134 PolarHBondContact O-N 3.44Å; E130-Q134 VanDerWaalsContact O-N 3.07Å; R131-Q134 PolarHBondContact O-N 3.48Å; Q134-D136 VanDerWaalsContact C-N 3.35Å; Q134-A137 PolarHBondContact O-N 2.83Å; Q134-L138 HydrophobicContact CG-CD1 4.48Å; Q134-L138 WeakPolarHBondContact O-CG 3.29Å; Q134-L138 PolarHBondContact O-N 2.97Å |
| 135 | E | 84.6 | Confident | 85.2 | Confident | 27 Ų | 27 | 74.2 Ų | 74.2 | 13% | 0.126 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -68.5 | -34 | 177.4 | -71.1 | -77.1 | 141.7 | 0 | 0 | 111.9 | V4 I102 R131 L138 A139 | V4-E135 HydrophobicContact CG1-CB 3.7Å; V4-E135 HydrophobicContact CG1-CG 4.37Å; V4-E135 HydrophobicContact CG2-CB 4.24Å; I102-E135 HydrophobicContact CD1-CG 4.22Å; R131-E135 HydrophobicContact CG-CG 4.26Å; R131-E135 WeakPolarHBondContact O-CB 3.39Å; R131-E135 WeakPolarHBondContact O-CG 3.39Å; R131-E135 PolarHBondContact O-N 2.9Å; E135-L138 PolarHBondContact O-N 3.4Å; E135-A139 VanDerWaalsContact O-CB 3.23Å; E135-A139 WeakPolarHBondContact O-CB 3.29Å; E135-A139 PolarHBondContact O-N 3.35Å |
| 136 | D | 84.3 | Confident | 84.4 | Confident | 53 Ų | 53 | 76.4 Ų | 76.4 | 28% | 0.283 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -66.6 | -44.3 | 175.5 | -165 | 58.6 | 0 | 0 | 0 | 111.2 | A132 Q133 Q134 L138 A139 Q140 | A132-D136 WeakPolarHBondContact O-CB 3.38Å; A132-D136 PolarHBondContact O-N 3.49Å; Q133-D136 PolarHBondContact O-N 3.07Å; Q134-D136 VanDerWaalsContact C-N 3.35Å; D136-L138 VanDerWaalsContact C-N 3.34Å; D136-L138 PolarHBondContact O-N 3.36Å; D136-A139 PolarHBondContact O-N 2.84Å; D136-Q140 WeakPolarHBondContact O-CB 3.43Å; D136-Q140 VanDerWaalsContact O-CG 3.25Å; D136-Q140 WeakPolarHBondContact O-CG 3.44Å; D136-Q140 PolarHBondContact O-N 3.06Å; D136-Q140 PolarHBondContact OD2-NE2 3.39Å |
| 137 | A | 83.5 | Confident | 83.6 | Confident | 43 Ų | 43 | 81.3 Ų | 81.3 | 36% | 0.355 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -59.7 | -43.3 | 174 | 0 | 0 | 0 | 0 | 0 | 112 | Q133 Q134 Q140 Q141 | Q133-A137 WeakPolarHBondContact O-CB 3.2Å; Q133-A137 PolarHBondContact O-N 3.35Å; Q134-A137 PolarHBondContact O-N 2.83Å; A137-Q140 PolarHBondContact O-N 3.14Å; A137-Q141 VanDerWaalsContact O-CG 3.29Å; A137-Q141 WeakPolarHBondContact O-CG 3.11Å; A137-Q141 PolarHBondContact O-N 3.43Å |
| 138 | L | 83.6 | Confident | 83 | Confident | 86 Ų | 86 | 86.9 Ų | 86.9 | 45% | 0.45 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -65.4 | -40.2 | 175.5 | -73.4 | 169.8 | 0 | 0 | 0 | 112.2 | Q134 E135 D136 Q141 A142 | Q134-L138 HydrophobicContact CG-CD1 4.48Å; Q134-L138 WeakPolarHBondContact O-CG 3.29Å; Q134-L138 PolarHBondContact O-N 2.97Å; E135-L138 PolarHBondContact O-N 3.4Å; D136-L138 VanDerWaalsContact C-N 3.34Å; D136-L138 PolarHBondContact O-N 3.36Å; L138-Q141 PolarHBondContact O-N 2.88Å; L138-A142 WeakPolarHBondContact O-CB 3.5Å; L138-A142 PolarHBondContact O-N 3.43Å |
| 139 | A | 79.9 | Confident | 82.4 | Confident | 17 Ų | 17 | 93.3 Ų | 93.3 | 14% | 0.14 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -66.3 | -40.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | P2 V4 E135 D136 A142 F143 | P2-A139 HydrophobicContact CB-CB 4.15Å; V4-A139 HydrophobicContact CG2-CB 3.92Å; E135-A139 VanDerWaalsContact O-CB 3.23Å; E135-A139 WeakPolarHBondContact O-CB 3.29Å; E135-A139 PolarHBondContact O-N 3.35Å; D136-A139 PolarHBondContact O-N 2.84Å; A139-A142 PolarHBondContact O-N 3.35Å; A139-F143 WeakPolarHBondContact O-CB 3.34Å; A139-F143 PolarHBondContact O-N 3.2Å |
| 140 | Q | 77.6 | Confident | 82 | Confident | 104 Ų | 104 | 92.4 Ų | 92.4 | 49% | 0.486 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -62.2 | -47.3 | 174.1 | -72.3 | 177.2 | 15.1 | 0 | 0 | 111 | D136 A137 A142 F143 E144 | D136-Q140 WeakPolarHBondContact O-CB 3.43Å; D136-Q140 VanDerWaalsContact O-CG 3.25Å; D136-Q140 WeakPolarHBondContact O-CG 3.44Å; D136-Q140 PolarHBondContact O-N 3.06Å; D136-Q140 PolarHBondContact OD2-NE2 3.39Å; A137-Q140 PolarHBondContact O-N 3.14Å; Q140-A142 PolarHBondContact O-N 2.9Å; Q140-F143 WeakPolarHBondContact O-CB 3.39Å; Q140-F143 PolarHBondContact O-N 2.82Å; Q140-F143 VanDerWaalsContact O-N 3.14Å; Q140-E144 WeakPolarHBondContact O-CG 3.42Å; Q140-E144 PolarHBondContact O-N 3.3Å |
| 141 | Q | 80.9 | Confident | 81.7 | Confident | 120 Ų | 120 | 92.8 Ų | 92.8 | 56% | 0.561 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -58.2 | -46.7 | 175.4 | -74.9 | 176.3 | 4.5 | 0 | 0 | 112 | A137 L138 F143 E144 E145 | A137-Q141 VanDerWaalsContact O-CG 3.29Å; A137-Q141 WeakPolarHBondContact O-CG 3.11Å; A137-Q141 PolarHBondContact O-N 3.43Å; L138-Q141 PolarHBondContact O-N 2.88Å; Q141-F143 VanDerWaalsContact C-N 3.28Å; Q141-F143 PolarHBondContact O-N 3.45Å; Q141-E144 PolarHBondContact O-N 2.84Å; Q141-E145 WeakPolarHBondContact O-CB 3.29Å; Q141-E145 PolarHBondContact O-N 2.97Å |
| 142 | A | 80.1 | Confident | 81.5 | Confident | 58 Ų | 58 | 94.7 Ų | 94.7 | 48% | 0.479 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -63.8 | -35 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L138 A139 Q140 A146 | L138-A142 WeakPolarHBondContact O-CB 3.5Å; L138-A142 PolarHBondContact O-N 3.43Å; A139-A142 PolarHBondContact O-N 3.35Å; Q140-A142 PolarHBondContact O-N 2.9Å; A142-A146 VanDerWaalsContact O-CB 3.29Å; A142-A146 WeakPolarHBondContact O-CB 3.35Å; A142-A146 PolarHBondContact O-N 2.94Å |
| 143 | F | 76 | Confident | 81 | Confident | 135 Ų | 135 | 101.4 Ų | 101.4 | 59% | 0.592 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -70.3 | -44 | 176.3 | -173 | -95.9 | 0 | 0 | 0 | 112 | A139 Q140 Q141 E145 A146 R147 | A139-F143 WeakPolarHBondContact O-CB 3.34Å; A139-F143 PolarHBondContact O-N 3.2Å; Q140-F143 WeakPolarHBondContact O-CB 3.39Å; Q140-F143 PolarHBondContact O-N 2.82Å; Q140-F143 VanDerWaalsContact O-N 3.14Å; Q141-F143 VanDerWaalsContact C-N 3.28Å; Q141-F143 PolarHBondContact O-N 3.45Å; F143-E145 VanDerWaalsContact C-N 3.35Å; F143-A146 PolarHBondContact O-N 3.06Å; F143-R147 VanDerWaalsContact O-CB 3.29Å; F143-R147 WeakPolarHBondContact O-CB 3.4Å; F143-R147 PolarHBondContact O-N 2.89Å |
| 144 | E | 79.2 | Confident | 80.8 | Confident | 132 Ų | 132 | 100.7 Ų | 100.7 | 62% | 0.617 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -62.5 | -42.5 | 174.9 | -74.4 | -177.1 | 174 | 0 | 0 | 111.6 | Q140 Q141 R147 R148 | Q140-E144 WeakPolarHBondContact O-CG 3.42Å; Q140-E144 PolarHBondContact O-N 3.3Å; Q141-E144 PolarHBondContact O-N 2.84Å; E144-R147 PolarHBondContact O-N 3.29Å; E144-R148 VanDerWaalsContact O-CB 3.28Å; E144-R148 WeakPolarHBondContact O-CB 3.45Å; E144-R148 PolarHBondContact O-N 3.2Å |
| 145 | E | 81.4 | Confident | 80.6 | Confident | 94 Ų | 94 | 98.3 Ų | 98.3 | 44% | 0.439 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -64.3 | -44 | 176.3 | -166.8 | -174.7 | 171.7 | 0 | 0 | 111.3 | Q141 F143 R148 R149 | Q141-E145 WeakPolarHBondContact O-CB 3.29Å; Q141-E145 PolarHBondContact O-N 2.97Å; F143-E145 VanDerWaalsContact C-N 3.35Å; E145-R148 PolarHBondContact O-N 3.47Å; E145-R149 WeakPolarHBondContact O-CB 3.48Å; E145-R149 VanDerWaalsContact O-CG 3.3Å; E145-R149 WeakPolarHBondContact O-CG 3.43Å; E145-R149 PolarHBondContact O-N 2.98Å; E145-R149 IonicContact OE1-CZ 3.11Å; E145-R149 IonicContact OE1-NE 2.69Å; E145-R149 PolarHBondContact OE1-NE 3.25Å; E145-R149 IonicContact OE1-NH2 2.66Å; E145-R149 PolarHBondContact OE1-NH2 3.46Å |
| 146 | A | 78.4 | Confident | 80.3 | Confident | 49 Ų | 49 | 105.3 Ų | 105.3 | 41% | 0.405 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.3 | -45.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | A142 F143 R148 R149 T150 | A142-A146 VanDerWaalsContact O-CB 3.29Å; A142-A146 WeakPolarHBondContact O-CB 3.35Å; A142-A146 PolarHBondContact O-N 2.94Å; F143-A146 PolarHBondContact O-N 3.06Å; A146-R148 VanDerWaalsContact C-N 3.34Å; A146-R148 PolarHBondContact O-N 3.45Å; A146-R149 PolarHBondContact O-N 3.48Å; A146-T150 PolarHBondContact O-N 2.9Å; A146-T150 PolarHBondContact O-OG1 3.37Å; A146-T150 VanDerWaalsContact O-OG1 3.06Å |
| 147 | R | 79.6 | Confident | 80.1 | Confident | 182 Ų | 182 | 107.4 Ų | 107.4 | 69% | 0.687 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62.3 | -40.9 | 177.8 | -174.4 | 179.1 | 179 | -175.8 | 0.9 | 111.8 | F143 E144 T150 R151 | F143-R147 VanDerWaalsContact O-CB 3.29Å; F143-R147 WeakPolarHBondContact O-CB 3.4Å; F143-R147 PolarHBondContact O-N 2.89Å; E144-R147 PolarHBondContact O-N 3.29Å; R147-T150 PolarHBondContact O-N 2.85Å; R147-R151 WeakPolarHBondContact O-CB 3.28Å; R147-R151 PolarHBondContact O-N 3.33Å |
| 148 | R | 80 | Confident | 80 | Confident | 162 Ų | 162 | 112.2 Ų | 112.2 | 61% | 0.611 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.3 | -46.5 | 175.1 | -175.9 | -175.5 | 136.6 | -159.1 | -9.4 | 110.9 | E144 E145 A146 T150 R151 E152 | E144-R148 VanDerWaalsContact O-CB 3.28Å; E144-R148 WeakPolarHBondContact O-CB 3.45Å; E144-R148 PolarHBondContact O-N 3.2Å; E145-R148 PolarHBondContact O-N 3.47Å; A146-R148 VanDerWaalsContact C-N 3.34Å; A146-R148 PolarHBondContact O-N 3.45Å; R148-T150 PolarHBondContact O-N 3.45Å; R148-R151 PolarHBondContact O-N 3.36Å; R148-E152 HydrophobicContact CG-CG 4.45Å; R148-E152 IonicContact CZ-OE1 3.43Å; R148-E152 IonicContact NE-OE1 2.76Å; R148-E152 PolarHBondContact NE-OE1 2.89Å; R148-E152 IonicContact NH2-OE1 3.18Å; R148-E152 PolarHBondContact NH2-OE1 3.18Å; R148-E152 WeakPolarHBondContact O-CB 3.3Å; R148-E152 WeakPolarHBondContact O-CG 3.38Å; R148-E152 PolarHBondContact O-N 2.89Å |
| 149 | R | 80.5 | Confident | 79.9 | Confident | 156 Ų | 156 | 111 Ų | 111 | 59% | 0.589 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -60.6 | -42.6 | 176.2 | -73.1 | 176.2 | -175 | -163 | 3.3 | 112.1 | E145 A146 E152 F153 | E145-R149 WeakPolarHBondContact O-CB 3.48Å; E145-R149 VanDerWaalsContact O-CG 3.3Å; E145-R149 WeakPolarHBondContact O-CG 3.43Å; E145-R149 PolarHBondContact O-N 2.98Å; E145-R149 IonicContact OE1-CZ 3.11Å; E145-R149 IonicContact OE1-NE 2.69Å; E145-R149 PolarHBondContact OE1-NE 3.25Å; E145-R149 IonicContact OE1-NH2 2.66Å; E145-R149 PolarHBondContact OE1-NH2 3.46Å; A146-R149 PolarHBondContact O-N 3.48Å; R149-E152 PolarHBondContact O-N 3.26Å; R149-F153 WeakPolarHBondContact O-CB 3.44Å; R149-F153 PolarHBondContact O-N 2.96Å |
| 150 | T | 79.9 | Confident | 80 | Confident | 77 Ų | 77 | 115.5 Ų | 115.5 | 47% | 0.472 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.4 | -45.5 | 175.7 | -57.5 | 0 | 0 | 0 | 0 | 111 | A146 R147 R148 F153 E154 | A146-T150 PolarHBondContact O-N 2.9Å; A146-T150 PolarHBondContact O-OG1 3.37Å; A146-T150 VanDerWaalsContact O-OG1 3.06Å; R147-T150 PolarHBondContact O-N 2.85Å; R148-T150 PolarHBondContact O-N 3.45Å; T150-F153 WeakPolarHBondContact O-CB 3.35Å; T150-F153 PolarHBondContact O-N 2.81Å; T150-E154 WeakPolarHBondContact O-CG 3.49Å; T150-E154 PolarHBondContact O-N 3.37Å |
| 151 | R | 81.8 | Confident | 80.1 | Confident | 169 Ų | 169 | 118.3 Ų | 118.3 | 64% | 0.638 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -63.4 | -44.5 | 177.4 | -172.6 | 177.6 | 179.5 | 178.5 | 2.6 | 112.5 | R147 R148 F153 E154 D155 | R147-R151 WeakPolarHBondContact O-CB 3.28Å; R147-R151 PolarHBondContact O-N 3.33Å; R148-R151 PolarHBondContact O-N 3.36Å; R151-F153 PolarHBondContact O-N 2.93Å; R151-E154 PolarHBondContact O-N 3.26Å; R151-D155 WeakPolarHBondContact O-CB 3.42Å; R151-D155 PolarHBondContact O-N 2.9Å |
| 152 | E | 82.7 | Confident | 80.2 | Confident | 70 Ų | 70 | 118 Ų | 118 | 33% | 0.327 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -60.3 | -35.3 | 175 | -74.6 | 175.8 | -172.1 | 0 | 0 | 111.7 | R148 R149 R156 | R148-E152 HydrophobicContact CG-CG 4.45Å; R148-E152 IonicContact CZ-OE1 3.43Å; R148-E152 IonicContact NE-OE1 2.76Å; R148-E152 PolarHBondContact NE-OE1 2.89Å; R148-E152 IonicContact NH2-OE1 3.18Å; R148-E152 PolarHBondContact NH2-OE1 3.18Å; R148-E152 WeakPolarHBondContact O-CB 3.3Å; R148-E152 WeakPolarHBondContact O-CG 3.38Å; R148-E152 PolarHBondContact O-N 2.89Å; R149-E152 PolarHBondContact O-N 3.26Å; E152-R156 WeakPolarHBondContact O-CB 3.4Å; E152-R156 VanDerWaalsContact O-CG 3.26Å; E152-R156 WeakPolarHBondContact O-CG 3.37Å; E152-R156 PolarHBondContact O-N 3.45Å; E152-R156 VanDerWaalsContact O-N 3.08Å |
| 153 | F | 76.4 | Confident | 80.1 | Confident | 147 Ų | 147 | 120.7 Ų | 120.7 | 65% | 0.645 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -70.9 | -45.7 | 175.9 | -169.4 | -92.3 | 0 | 0 | 0 | 112.1 | R149 T150 R151 D155 R156 D157 | R149-F153 WeakPolarHBondContact O-CB 3.44Å; R149-F153 PolarHBondContact O-N 2.96Å; T150-F153 WeakPolarHBondContact O-CB 3.35Å; T150-F153 PolarHBondContact O-N 2.81Å; R151-F153 PolarHBondContact O-N 2.93Å; F153-D155 PolarHBondContact O-N 3.18Å; F153-R156 PolarHBondContact O-N 2.89Å; F153-D157 WeakPolarHBondContact O-CB 3.49Å; F153-D157 PolarHBondContact O-N 3.37Å |
| 154 | E | 82.1 | Confident | 80 | Confident | 111 Ų | 111 | 119 Ų | 119 | 52% | 0.519 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.5 | -41.5 | 175.8 | -73 | 175.5 | 175.5 | 0 | 0 | 112.2 | T150 R151 D157 R158 | T150-E154 WeakPolarHBondContact O-CG 3.49Å; T150-E154 PolarHBondContact O-N 3.37Å; R151-E154 PolarHBondContact O-N 3.26Å; E154-D157 PolarHBondContact O-N 2.87Å; E154-R158 WeakPolarHBondContact O-CB 3.4Å; E154-R158 PolarHBondContact O-N 2.92Å |
| 155 | D | 80.6 | Confident | 80 | Confident | 72 Ų | 72 | 117 Ų | 117 | 39% | 0.385 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -67.5 | -39.3 | 177.7 | -73.7 | -22.7 | 0 | 0 | 0 | 111.1 | R151 F153 R158 S159 | R151-D155 WeakPolarHBondContact O-CB 3.42Å; R151-D155 PolarHBondContact O-N 2.9Å; F153-D155 PolarHBondContact O-N 3.18Å; D155-R158 PolarHBondContact O-N 3.47Å; D155-S159 WeakPolarHBondContact O-CB 3.41Å; D155-S159 PolarHBondContact O-N 2.87Å; D155-S159 PolarHBondContact O-OG 3.18Å |
| 156 | R | 78.4 | Confident | 79.7 | Confident | 174 Ų | 174 | 114.5 Ų | 114.5 | 66% | 0.657 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -64.3 | -46.1 | 173.7 | -79.8 | 176.9 | -176.4 | 169.6 | 5.3 | 112.1 | E152 F153 R158 S159 H160 | E152-R156 WeakPolarHBondContact O-CB 3.4Å; E152-R156 VanDerWaalsContact O-CG 3.26Å; E152-R156 WeakPolarHBondContact O-CG 3.37Å; E152-R156 PolarHBondContact O-N 3.45Å; E152-R156 VanDerWaalsContact O-N 3.08Å; F153-R156 PolarHBondContact O-N 2.89Å; R156-R158 VanDerWaalsContact C-N 3.31Å; R156-R158 PolarHBondContact O-N 3.32Å; R156-S159 WeakPolarHBondContact CA-OG 3.26Å; R156-S159 PolarHBondContact O-N 3.34Å; R156-S159 PolarHBondContact O-OG 3.48Å; R156-H160 WeakPolarHBondContact O-CB 3.34Å; R156-H160 PolarHBondContact O-N 2.97Å |
| 157 | D | 79.3 | Confident | 79.3 | Confident | 98 Ų | 98 | 120.1 Ų | 120.1 | 52% | 0.524 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60.7 | -43 | 177.9 | -172.2 | 70.1 | 0 | 0 | 0 | 111.3 | F153 E154 H160 R161 | F153-D157 WeakPolarHBondContact O-CB 3.49Å; F153-D157 PolarHBondContact O-N 3.37Å; E154-D157 PolarHBondContact O-N 2.87Å; D157-H160 PolarHBondContact O-N 2.74Å; D157-R161 WeakPolarHBondContact O-CB 3.46Å; D157-R161 PolarHBondContact O-N 2.76Å |
| 158 | R | 81.9 | Confident | 78.6 | Confident | 144 Ų | 144 | 121.3 Ų | 121.3 | 54% | 0.543 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -60.6 | -49.7 | 173.5 | -171.2 | -176.2 | -58.8 | 166.4 | 6.7 | 111.9 | E154 D155 R156 H160 R161 E162 | E154-R158 WeakPolarHBondContact O-CB 3.4Å; E154-R158 PolarHBondContact O-N 2.92Å; D155-R158 PolarHBondContact O-N 3.47Å; R156-R158 VanDerWaalsContact C-N 3.31Å; R156-R158 PolarHBondContact O-N 3.32Å; R158-H160 VanDerWaalsContact C-N 3.29Å; R158-H160 PolarHBondContact O-N 3.5Å; R158-R161 WeakPolarHBondContact O-CB 3.48Å; R158-R161 PolarHBondContact O-N 2.66Å; R158-E162 HydrophobicContact CG-CG 4.49Å; R158-E162 WeakPolarHBondContact CG-OE1 3.39Å; R158-E162 WeakPolarHBondContact O-CG 3.48Å; R158-E162 PolarHBondContact O-N 3.08Å |
| 159 | S | 80.6 | Confident | 77.8 | Confident | 61 Ų | 61 | 121.3 Ų | 121.3 | 43% | 0.427 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -61.1 | -38.7 | 179 | 67.2 | 0 | 0 | 0 | 0 | 112.3 | D155 R156 E162 E163 | D155-S159 WeakPolarHBondContact O-CB 3.41Å; D155-S159 PolarHBondContact O-N 2.87Å; D155-S159 PolarHBondContact O-OG 3.18Å; R156-S159 WeakPolarHBondContact CA-OG 3.26Å; R156-S159 PolarHBondContact O-N 3.34Å; R156-S159 PolarHBondContact O-OG 3.48Å; S159-E162 PolarHBondContact O-N 3.41Å; S159-E163 WeakPolarHBondContact O-CB 3.39Å; S159-E163 PolarHBondContact O-N 2.84Å |
| 160 | H | 81.7 | Confident | 76.8 | Confident | 111 Ų | 111 | 121.4 Ų | 121.4 | 51% | 0.514 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -67.8 | -38.1 | 178 | -179.8 | -93.7 | 0 | 0 | 0 | 111.2 | R156 D157 R158 M164 | R156-H160 WeakPolarHBondContact O-CB 3.34Å; R156-H160 PolarHBondContact O-N 2.97Å; D157-H160 PolarHBondContact O-N 2.74Å; R158-H160 VanDerWaalsContact C-N 3.29Å; R158-H160 PolarHBondContact O-N 3.5Å; H160-M164 WeakPolarHBondContact O-CB 3.49Å; H160-M164 VanDerWaalsContact O-CG 3.31Å; H160-M164 WeakPolarHBondContact O-CG 3.39Å; H160-M164 PolarHBondContact O-N 2.91Å |
| 161 | R | 80.4 | Confident | 75.5 | Confident | 163 Ų | 163 | 123.8 Ų | 123.8 | 62% | 0.615 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -65.7 | -45.5 | 173.8 | -174.7 | 177.3 | 177.4 | 165.2 | 1.7 | 112 | D157 R158 E163 M164 E165 | D157-R161 WeakPolarHBondContact O-CB 3.46Å; D157-R161 PolarHBondContact O-N 2.76Å; R158-R161 WeakPolarHBondContact O-CB 3.48Å; R158-R161 PolarHBondContact O-N 2.66Å; R161-E163 VanDerWaalsContact C-N 3.35Å; R161-M164 PolarHBondContact O-N 3.38Å; R161-E165 IonicContact NE-OE1 3.18Å; R161-E165 PolarHBondContact NE-OE1 2.88Å; R161-E165 IonicContact NH2-OE1 3.5Å; R161-E165 WeakPolarHBondContact O-CB 3.31Å; R161-E165 WeakPolarHBondContact O-CG 3.41Å; R161-E165 PolarHBondContact O-N 3.32Å |
| 162 | E | 82.5 | Confident | 74 | Confident | 114 Ų | 114 | 121 Ų | 121 | 53% | 0.533 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -62.7 | -40.4 | 176.7 | -72.4 | 172.5 | -178.3 | 0 | 0 | 111.6 | R158 S159 E165 A166 | R158-E162 HydrophobicContact CG-CG 4.49Å; R158-E162 WeakPolarHBondContact CG-OE1 3.39Å; R158-E162 WeakPolarHBondContact O-CG 3.48Å; R158-E162 PolarHBondContact O-N 3.08Å; S159-E162 PolarHBondContact O-N 3.41Å; E162-E165 PolarHBondContact O-N 2.99Å; E162-A166 VanDerWaalsContact O-CB 3.3Å; E162-A166 WeakPolarHBondContact O-CB 3.37Å; E162-A166 PolarHBondContact O-N 3.4Å |
| 163 | E | 79.2 | Confident | 72.4 | Confident | 113 Ų | 113 | 122.6 Ų | 122.6 | 53% | 0.528 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -65.6 | -40.8 | 175.4 | -169 | -178.3 | 170.2 | 0 | 0 | 112.1 | S159 R161 A166 R167 | S159-E163 WeakPolarHBondContact O-CB 3.39Å; S159-E163 PolarHBondContact O-N 2.84Å; R161-E163 VanDerWaalsContact C-N 3.35Å; E163-A166 PolarHBondContact O-N 3.33Å; E163-R167 WeakPolarHBondContact O-CB 3.43Å; E163-R167 WeakPolarHBondContact O-CG 3.3Å; E163-R167 PolarHBondContact O-N 3.25Å |
| 164 | M | 74.2 | Confident | 71.1 | Confident | 101 Ų | 101 | 121.6 Ų | 121.6 | 50% | 0.498 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -64.6 | -40.9 | 174.4 | -80.5 | -85 | -87.4 | 0 | 0 | 112.3 | H160 R161 R168 | H160-M164 WeakPolarHBondContact O-CB 3.49Å; H160-M164 VanDerWaalsContact O-CG 3.31Å; H160-M164 WeakPolarHBondContact O-CG 3.39Å; H160-M164 PolarHBondContact O-N 2.91Å; R161-M164 PolarHBondContact O-N 3.38Å; M164-R168 WeakPolarHBondContact O-CG 3.49Å; M164-R168 PolarHBondContact O-N 3.05Å |
| 165 | E | 77.6 | Confident | 69.5 | Low | 88 Ų | 88 | 119.8 Ų | 119.8 | 41% | 0.411 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -68.1 | -39.3 | 175.3 | -74.7 | 178 | -166.5 | 0 | 0 | 111.6 | R161 E162 R168 Q169 | R161-E165 IonicContact NE-OE1 3.18Å; R161-E165 PolarHBondContact NE-OE1 2.88Å; R161-E165 IonicContact NH2-OE1 3.5Å; R161-E165 WeakPolarHBondContact O-CB 3.31Å; R161-E165 WeakPolarHBondContact O-CG 3.41Å; R161-E165 PolarHBondContact O-N 3.32Å; E162-E165 PolarHBondContact O-N 2.99Å; E165-R168 PolarHBondContact O-N 3.38Å; E165-Q169 WeakPolarHBondContact O-CG 3.43Å; E165-Q169 PolarHBondContact O-N 3.12Å |
| 166 | A | 75.1 | Confident | 68 | Low | 43 Ų | 43 | 121.8 Ų | 121.8 | 36% | 0.355 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -65.4 | -42.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | E162 E163 Q169 Q170 | E162-A166 VanDerWaalsContact O-CB 3.3Å; E162-A166 WeakPolarHBondContact O-CB 3.37Å; E162-A166 PolarHBondContact O-N 3.4Å; E163-A166 PolarHBondContact O-N 3.33Å; A166-Q169 PolarHBondContact O-N 3.19Å; A166-Q170 WeakPolarHBondContact O-CG 3.45Å; A166-Q170 PolarHBondContact O-N 3.01Å |
| 167 | R | 70.3 | Confident | 66.3 | Low | 167 Ų | 167 | 121.6 Ų | 121.6 | 63% | 0.63 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -61.3 | -41.7 | 172.8 | -83.6 | 180 | 171.7 | -132.6 | 0.8 | 112.1 | E163 Q169 Q170 D171 | E163-R167 WeakPolarHBondContact O-CB 3.43Å; E163-R167 WeakPolarHBondContact O-CG 3.3Å; E163-R167 PolarHBondContact O-N 3.25Å; R167-Q169 VanDerWaalsContact C-N 3.29Å; R167-Q169 PolarHBondContact O-N 3.23Å; R167-Q170 PolarHBondContact O-N 3.41Å; R167-D171 PolarHBondContact O-N 3.22Å |
| 168 | R | 66 | Low | 64.9 | Low | 206 Ų | 206 | 125 Ų | 125 | 78% | 0.777 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -63.2 | -32.9 | 174.7 | -82.3 | -177.1 | 172 | -165.5 | -1.5 | 113.4 | M164 E165 | M164-R168 WeakPolarHBondContact O-CG 3.49Å; M164-R168 PolarHBondContact O-N 3.05Å; E165-R168 PolarHBondContact O-N 3.38Å |
| 169 | Q | 62.3 | Low | 63 | Low | 162 Ų | 162 | 121.9 Ų | 121.9 | 76% | 0.757 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -79.3 | -23.3 | 176.8 | -70.6 | 176.4 | 43.6 | 0 | 0 | 112.8 | E165 A166 R167 | E165-Q169 WeakPolarHBondContact O-CG 3.43Å; E165-Q169 PolarHBondContact O-N 3.12Å; A166-Q169 PolarHBondContact O-N 3.19Å; R167-Q169 VanDerWaalsContact C-N 3.29Å; R167-Q169 PolarHBondContact O-N 3.23Å |
| 170 | Q | 59.2 | Low | 61.3 | Low | 158 Ų | 158 | 123.2 Ų | 123.2 | 74% | 0.738 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -86.2 | -12.3 | 176.7 | -74.3 | 179.9 | 24.8 | 0 | 0 | 114.3 | A166 R167 P172 | A166-Q170 WeakPolarHBondContact O-CG 3.45Å; A166-Q170 PolarHBondContact O-N 3.01Å; R167-Q170 PolarHBondContact O-N 3.41Å; Q170-P172 VanDerWaalsContact C-CD 3.41Å; Q170-P172 WeakPolarHBondContact O-CD 2.97Å |
| 171 | D | 54 | Low | 59.3 | Low | 128 Ų | 128 | 121.7 Ų | 121.7 | 68% | 0.684 | 70% | 0.698 | S | S | * | * | trans | -97.5 | 86.3 | 168.8 | -102.3 | -36.8 | 0 | 0 | 0 | 110.8 | R167 S173 | R167-D171 PolarHBondContact O-N 3.22Å; D171-S173 PolarHBondContact O-N 3.06Å; D171-S173 VanDerWaalsContact O-N 3.12Å | ||
| 172 | P | 49.6 | Very low | 57.9 | Low | 109 Ų | 109 | 121.4 Ų | 121.4 | 71% | 0.708 | 71% | 0.709 | S | S | * | * | trans | -70 | 105.1 | 159.5 | 30.1 | -29.3 | 0 | 0 | 0 | 106.7 | Q170 | Q170-P172 VanDerWaalsContact C-CD 3.41Å; Q170-P172 WeakPolarHBondContact O-CD 2.97Å | ||
| 173 | S | 49.1 | Very low | 56.1 | Low | 104 Ų | 104 | 122.9 Ų | 122.9 | 73% | 0.727 | 72% | 0.72 | S | S | * | * | trans | -51.2 | 135.8 | 171.8 | -73.3 | 0 | 0 | 0 | 0 | 110 | D171 G175 | D171-S173 PolarHBondContact O-N 3.06Å; D171-S173 VanDerWaalsContact O-N 3.12Å; S173-G175 PolarHBondContact O-N 3.35Å | ||
| 174 | P | 49.8 | Very low | 54.8 | Low | 127 Ų | 127 | 124.1 Ų | 124.1 | 83% | 0.825 | 73% | 0.73 | S | S | * | * | trans | -62.3 | 130.9 | 179 | 25.6 | -31.4 | 0 | 0 | 0 | 109 | S176 | P174-S176 PolarHBondContact O-N 3.01Š| ||
| 175 | G | 48.3 | Very low | 53.5 | Low | 72 Ų | 72 | 128.4 Ų | 128.4 | 74% | 0.742 | 75% | 0.746 | S | S | * | * | trans | -45 | 125.9 | -167.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | S173 N177 | S173-G175 PolarHBondContact O-N 3.35Å; G175-N177 VanDerWaalsContact C-N 3.33Å; G175-N177 PolarHBondContact O-N 2.87Å | ||
| 176 | S | 49.2 | Very low | 52.1 | Low | 115 Ų | 115 | 131.4 Ų | 131.4 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | trans | -66.2 | 91.6 | 154.3 | 7.1 | 0 | 0 | 0 | 0 | 108.7 | P174 L178 | P174-S176 PolarHBondContact O-N 3.01Å; S176-L178 PolarHBondContact O-N 3.45Å | ||
| 177 | N | 42.4 | Very low | 50.7 | Low | 169 Ų | 169 | 144.5 Ų | 144.5 | 90% | 0.904 | 80% | 0.804 | S | S | * | * | trans | -83.4 | 87.2 | 165 | -119.6 | 28.7 | 0 | 0 | 0 | 108.7 | G175 | G175-N177 VanDerWaalsContact C-N 3.33Å; G175-N177 PolarHBondContact O-N 2.87Å | ||
| 178 | L | 49.5 | Very low | 49.8 | Very low | 171 Ų | 171 | 143.4 Ų | 143.4 | 90% | 0.895 | 81% | 0.813 | S | S | * | * | trans | -86.8 | 117.1 | 156.8 | -80.5 | 165.5 | 0 | 0 | 0 | 107.5 | S176 | S176-L178 PolarHBondContact O-N 3.45Š| ||
| 179 | G | 41.1 | Very low | 48.9 | Very low | 78 Ų | 78 | 140.1 Ų | 140.1 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | trans | 164.8 | 88.5 | 166.6 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 180 | G | 45.8 | Very low | 48.2 | Very low | 88 Ų | 88 | 138.8 Ų | 138.8 | 91% | 0.907 | 82% | 0.818 | S | S | * | * | trans | 85.5 | 124.6 | 130.7 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 181 | G | 39 | Very low | 47.5 | Very low | 79 Ų | 79 | 137.7 Ų | 137.7 | 81% | 0.814 | 82% | 0.822 | S | S | * | * | trans | 158.6 | 63.9 | 161.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | D183 | G181-D183 PolarHBondContact O-N 3.34Š| ||
| 182 | D | 51.3 | Low | 47.1 | Very low | 158 Ų | 158 | 138.3 Ų | 138.3 | 85% | 0.845 | 83% | 0.831 | S | S | * | * | trans | -57 | 123.1 | 155.3 | -132.5 | -77.9 | 0 | 0 | 0 | 108 | ||||
| 183 | D | 45.7 | Very low | 46.9 | Very low | 144 Ų | 144 | 140.3 Ų | 140.3 | 77% | 0.77 | 84% | 0.839 | S | S | * | * | trans | -156.5 | 102.7 | 151.1 | -129 | -72.9 | 0 | 0 | 0 | 111.7 | G181 | G181-D183 PolarHBondContact O-N 3.34Š| ||
| 184 | L | 51.8 | Low | 46.8 | Very low | 139 Ų | 139 | 142.9 Ų | 142.9 | 73% | 0.728 | 85% | 0.847 | S | S | * | * | trans | -61.2 | 119 | 162.4 | 178.1 | 80.7 | 0 | 0 | 0 | 111.1 | ||||
| 185 | K | 46.5 | Very low | 46.6 | Very low | 191 Ų | 191 | 144.1 Ų | 144.1 | 83% | 0.83 | 85% | 0.849 | S | S | * | * | trans | -139.4 | 113.6 | 150.5 | -81.4 | -167.5 | 177.9 | 156.8 | 0 | 113.5 | ||||
| 186 | L | 47.5 | Very low | 46.4 | Very low | 152 Ų | 152 | 150.1 Ų | 150.1 | 80% | 0.796 | 86% | 0.858 | S | S | * | * | trans | -37.9 | 131.9 | 152.7 | -95.9 | 67.4 | 0 | 0 | 0 | 112 | ||||
| 187 | R | 47.2 | Very low | 46.2 | Very low | 317 Ų | 317 | 153.3 Ų | 153.3 | 100% | 1.196 | 86% | 0.863 | S | S | * | * | -166.7 | 0 | 105.2 | -129.8 | 177.5 | 176.9 | 175.3 | -1.5 | 112.1 |
Retrieved 187 of 187 residues in 40.9 ms
(Link to these results)