| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 39.4 | Very low | 65 | Low | 237 Ų | 237 | 128 Ų | 128 | 100% | 1.167 | 74% | 0.74 | S | S | * | * | 0 | 113.3 | 0 | -62.1 | 176.8 | -166.4 | 0 | 0 | 108 | R3 | M1-R3 PolarHBondContact O-N 3.1Š| |||
| 2 | C | 47.3 | Very low | 67.5 | Low | 128 Ų | 128 | 119.8 Ų | 119.8 | 87% | 0.865 | 69% | 0.692 | S | S | * | * | trans | -72.4 | 110.1 | 171.7 | -60.6 | 0 | 0 | 0 | 0 | 107.9 | S4 | C2-S4 VanDerWaalsContact C-N 3.3Å; C2-S4 PolarHBondContact O-N 3.13Å | ||
| 3 | R | 47.4 | Very low | 69.7 | Low | 244 Ų | 244 | 121.7 Ų | 121.7 | 92% | 0.921 | 69% | 0.69 | S | S | * | * | trans | -70.7 | 93.4 | 168.2 | -76.7 | -173.9 | 174.1 | -163.7 | -1 | 107.2 | M1 A5 | M1-R3 PolarHBondContact O-N 3.1Å; R3-A5 PolarHBondContact O-N 3.5Å | ||
| 4 | S | 54.1 | Low | 71.6 | Confident | 112 Ų | 112 | 116.4 Ų | 116.4 | 78% | 0.783 | 66% | 0.662 | S | S | * | * | trans | -58.2 | 109.3 | 165.6 | -55.9 | 0 | 0 | 0 | 0 | 107.4 | C2 L6 | C2-S4 VanDerWaalsContact C-N 3.3Å; C2-S4 PolarHBondContact O-N 3.13Å; S4-L6 PolarHBondContact O-N 3.49Å | ||
| 5 | A | 58.1 | Low | 73.4 | Confident | 92 Ų | 92 | 108.9 Ų | 108.9 | 76% | 0.76 | 62% | 0.619 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 122.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 107.6 | R3 | R3-A5 PolarHBondContact O-N 3.5Š|
| 6 | L | 58.3 | Low | 74.8 | Confident | 163 Ų | 163 | 107.6 Ų | 107.6 | 85% | 0.853 | 61% | 0.608 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 126.3 | 168.9 | -79.3 | 164.2 | 0 | 0 | 0 | 107 | S4 S8 | S4-L6 PolarHBondContact O-N 3.49Å; L6-S8 PolarHBondContact O-N 3.11Å; L6-S8 VanDerWaalsContact O-N 3.13Å |
| 7 | P | 63.3 | Low | 76.1 | Confident | 68 Ų | 68 | 101.3 Ų | 101.3 | 44% | 0.442 | 57% | 0.573 | S | S | . | * | P | Polyproline II helix | trans | -57.7 | 123.4 | -178.3 | 21.7 | -31.6 | 0 | 0 | 0 | 109.1 | A9 | P7-A9 PolarHBondContact O-N 3.48Š|
| 8 | S | 73.5 | Confident | 77.1 | Confident | 111 Ų | 111 | 96.4 Ų | 96.4 | 78% | 0.776 | 55% | 0.546 | S | S | * | . | P | Polyproline II helix | trans | -69.4 | 120 | -179.5 | -171.2 | 0 | 0 | 0 | 0 | 109 | L6 K10 | L6-S8 PolarHBondContact O-N 3.11Å; L6-S8 VanDerWaalsContact O-N 3.13Å; S8-K10 PolarHBondContact O-N 3.08Å |
| 9 | A | 85.3 | Confident | 77.9 | Confident | 62 Ų | 62 | 92.5 Ų | 92.5 | 51% | 0.512 | 53% | 0.526 | S | S | . | . | trans | -60.7 | 104.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111 | P7 G37 | P7-A9 PolarHBondContact O-N 3.48Å; A9-G37 WeakPolarHBondContact CB-O 3.33Å | ||
| 10 | K | 92.9 | Very high | 78.6 | Confident | 103 Ų | 103 | 93.3 Ų | 93.3 | 45% | 0.448 | 53% | 0.525 | S | S | . | . | P | Polyproline II helix | trans | -90.4 | 152 | -179.6 | 51.1 | 177.2 | 175 | -177.2 | 0 | 111 | S8 L12 D38 K39 | S8-K10 PolarHBondContact O-N 3.08Å; K10-L12 HydrophobicContact CD-CD2 4.05Å; K10-L12 HydrophobicContact CG-CD2 4.28Å; K10-D38 WeakPolarHBondContact CE-OD2 3.34Å; K10-D38 VanDerWaalsContact CG-CG 3.43Å; K10-D38 WeakPolarHBondContact CG-OD1 3.33Å; K10-D38 WeakPolarHBondContact CG-OD2 3.1Å; K10-D38 PolarHBondContact N-OD1 3.05Å; K10-D38 WeakPolarHBondContact O-CA 3.39Å; K10-K39 PolarHBondContact O-N 3.11Å |
| 11 | S | 94.9 | Very high | 79.3 | Confident | 88 Ų | 88 | 89.9 Ų | 89.9 | 62% | 0.615 | 51% | 0.505 | S | S | * | . | B | Isolated β-bridge | trans | -85 | 117.5 | 161.8 | -163.5 | 0 | 0 | 0 | 0 | 107.6 | ||
| 12 | L | 95.5 | Very high | 81.9 | Confident | 30 Ų | 30 | 84 Ų | 84 | 16% | 0.157 | 48% | 0.484 | C | S | . | . | P | Polyproline II helix | trans | -73.8 | 161.7 | 176.1 | -62.6 | 168.2 | 0 | 0 | 0 | 110.4 | K10 P34 D38 K39 L40 F94 | K10-L12 HydrophobicContact CD-CD2 4.05Å; K10-L12 HydrophobicContact CG-CD2 4.28Å; L12-P34 HydrophobicContact CD1-CB 3.54Å; L12-D38 HydrophobicContact CD1-CB 3.96Å; L12-D38 HydrophobicContact CG-CB 4.18Å; L12-K39 WeakPolarHBondContact CB-O 3.34Å; L12-K39 PolarHBondContact N-O 3.31Å; L12-L40 HydrophobicContact CB-CB 4.5Å; L12-L40 HydrophobicContact CB-CD1 4.17Å; L12-L40 HydrophobicContact CD1-CB 4.27Å; L12-F94 HydrophobicContact CD1-CD2 4.36Å; L12-F94 HydrophobicContact CD1-CE2 3.87Å |
| 13 | E | 95.6 | Very high | 84.2 | Confident | 144 Ų | 144 | 80.8 Ų | 80.8 | 67% | 0.673 | 46% | 0.456 | S | S | * | . | P | Polyproline II helix | trans | -62.5 | 138.2 | 178 | -151.5 | -159.6 | 162.7 | 0 | 0 | 111.1 | K23 L40 | E13-K23 IonicContact OE1-NZ 2.8Å; E13-K23 PolarHBondContact OE1-NZ 2.98Å; E13-K23 IonicContact OE2-NZ 2.77Å; E13-K23 PolarHBondContact OE2-NZ 3.21Å; E13-L40 WeakPolarHBondContact O-CD1 3.4Å |
| 14 | T | 97 | Very high | 86.5 | Confident | 48 Ų | 48 | 69.9 Ų | 69.9 | 29% | 0.294 | 42% | 0.415 | S | S | . | . | P | Polyproline II helix | trans | -69.6 | 136.8 | -176.9 | -61.4 | 0 | 0 | 0 | 0 | 111.6 | D41 I43 | T14-D41 WeakPolarHBondContact CA-O 3.33Å; T14-D41 HydrophobicContact CG2-CB 3.98Å; T14-I43 HydrophobicContact CG2-CB 4.33Å; T14-I43 HydrophobicContact CG2-CD1 3.64Å; T14-I43 HydrophobicContact CG2-CG1 3.71Å |
| 15 | I | 97.6 | Very high | 88.4 | Confident | 4 Ų | 4 | 69 Ų | 69 | 2% | 0.021 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 113.7 | 174.7 | -61.9 | 172.1 | 0 | 0 | 0 | 109.1 | W17 F24 L30 I32 L40 D41 I42 I43 V140 | I15-W17 PolarHBondContact O-N 3.49Å; I15-F24 HydrophobicContact CG2-CZ 4.1Å; I15-L30 HydrophobicContact CD1-CD2 3.73Å; I15-L30 HydrophobicContact CG1-CD2 3.84Å; I15-L30 HydrophobicContact CG2-CD2 4.15Å; I15-I32 HydrophobicContact CD1-CD1 4.4Å; I15-L40 HydrophobicContact CD1-CD1 3.88Å; I15-L40 HydrophobicContact CD1-CD2 4.06Å; I15-L40 HydrophobicContact CD1-CG 4.45Å; I15-L40 HydrophobicContact CG1-CD1 4.04Å; I15-D41 PolarHBondContact N-O 3.39Å; I15-I42 HydrophobicContact CB-CG1 4.45Å; I15-I42 CarbonylContact O-C 3.6Å; I15-I42 WeakPolarHBondContact O-CA 3.36Å; I15-I43 PolarHBondContact O-N 3.43Å; I15-V140 HydrophobicContact CD1-CG1 3.97Å; I15-V140 HydrophobicContact CD1-CG2 4.05Å; I15-V140 HydrophobicContact CG2-CG2 4.47Å |
| 16 | I | 96.6 | Very high | 90.1 | Very high | 87 Ų | 87 | 70.4 Ų | 70.4 | 45% | 0.446 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 115.4 | 170.4 | -57 | 176.6 | 0 | 0 | 0 | 108 | S18 N21 I43 P45 | I16-S18 VanDerWaalsContact C-N 3.33Å; I16-S18 PolarHBondContact O-N 3.04Å; I16-S18 VanDerWaalsContact O-N 3.07Å; I16-N21 WeakPolarHBondContact O-CB 3.43Å; I16-N21 PolarHBondContact O-ND2 3.47Å; I16-I43 CarbonylContact C-O 3.46Å; I16-I43 WeakPolarHBondContact CA-O 3.35Å; I16-P45 HydrophobicContact CG2-CG 4.08Å |
| 17 | W | 96.8 | Very high | 91.5 | Very high | 1 Ų | 1 | 65.5 Ų | 65.5 | 0% | 0.004 | 39% | 0.391 | C | S | . | . | trans | -84.8 | 78.4 | 177.7 | -159.2 | -78.8 | 0 | 0 | 0 | 110.5 | I15 F24 I42 I43 Y56 L58 I114 M138 V140 | I15-W17 PolarHBondContact O-N 3.49Å; W17-F24 HydrophobicContact CD2-CZ 4.28Å; W17-F24 AromaticContact CE3-CZ 3.91Å; W17-F24 HydrophobicContact CE3-CZ 3.91Å; W17-F24 HydrophobicContact CH2-CE1 4.3Å; W17-F24 HydrophobicContact CH2-CZ 4.28Å; W17-F24 HydrophobicContact CZ3-CE1 4.21Å; W17-F24 AromaticContact CZ3-CZ 3.94Å; W17-F24 HydrophobicContact CZ3-CZ 3.94Å; W17-I42 HydrophobicContact CB-CG2 4.15Å; W17-I42 HydrophobicContact CE3-CG2 4.21Å; W17-I43 PolarHBondContact N-O 3.14Å; W17-Y56 AromaticContact CD1-CD2 3.46Å; W17-Y56 VanDerWaalsContact CD1-CD2 3.46Å; W17-Y56 AromaticContact CD1-CE2 3.97Å; W17-Y56 AromaticContact CD1-CG 3.73Å; W17-Y56 AromaticContact NE1-CD2 3.98Å; W17-Y56 AromaticContact NE1-CG 3.84Å; W17-L58 HydrophobicContact CB-CD1 4.31Å; W17-L58 HydrophobicContact CD2-CD1 3.82Å; W17-L58 HydrophobicContact CD2-CD2 3.55Å; W17-L58 HydrophobicContact CD2-CG 4.13Å; W17-L58 VanDerWaalsContact CE2-CD2 3.43Å; W17-L58 HydrophobicContact CE3-CD1 4.02Å; W17-L58 HydrophobicContact CE3-CD2 3.58Å; W17-L58 HydrophobicContact CE3-CG 4.42Å; W17-L58 HydrophobicContact CG-CD1 3.88Å; W17-L58 HydrophobicContact CG-CD2 4.36Å; W17-L58 HydrophobicContact CG-CG 4.48Å; W17-L58 HydrophobicContact CH2-CD2 3.49Å; W17-L58 VanDerWaalsContact CH2-CD2 3.49Å; W17-L58 HydrophobicContact CZ2-CD2 3.45Å; W17-L58 VanDerWaalsContact CZ2-CD2 3.45Å; W17-L58 HydrophobicContact CZ3-CD2 3.53Å; W17-I114 HydrophobicContact CH2-CG2 4.3Å; W17-I114 HydrophobicContact CZ3-CG2 4.03Å; W17-M138 HydrophobicContact CD2-CE 4.39Å; W17-M138 HydrophobicContact CG-CE 4.25Å; W17-M138 HydrophobicContact CZ2-CB 3.91Å; W17-M138 HydrophobicContact CZ2-CE 4.48Å; W17-M138 WeakPolarHBondContact CZ2-O 3.49Å; W17-V140 HydrophobicContact CH2-CG2 4.4Å; W17-V140 HydrophobicContact CZ3-CG2 3.7Å | ||
| 18 | S | 94.1 | Very high | 92.7 | Very high | 14 Ų | 14 | 69.4 Ų | 69.4 | 10% | 0.098 | 40% | 0.401 | C | S | . | . | S | Bend | trans | -138.7 | 150.5 | 175 | 173.6 | 0 | 0 | 0 | 0 | 110.8 | I16 Q20 N21 E54 M138 | I16-S18 VanDerWaalsContact C-N 3.33Å; I16-S18 PolarHBondContact O-N 3.04Å; I16-S18 VanDerWaalsContact O-N 3.07Å; S18-Q20 PolarHBondContact O-N 3.37Å; S18-Q20 VanDerWaalsContact O-N 3.13Å; S18-Q20 PolarHBondContact OG-N 3.46Å; S18-N21 WeakPolarHBondContact O-CB 3.32Å; S18-N21 PolarHBondContact O-N 3.21Å; S18-E54 WeakPolarHBondContact CA-OE2 3.42Å; S18-E54 VanDerWaalsContact CB-OE2 3.29Å; S18-E54 WeakPolarHBondContact CB-OE2 3.29Å; S18-E54 PolarHBondContact OG-OE2 3.47Å; S18-M138 VanDerWaalsContact C-CE 3.43Å; S18-M138 WeakPolarHBondContact O-CE 3.36Å |
| 19 | S | 93.1 | Very high | 93.7 | Very high | 22 Ų | 22 | 64.2 Ų | 64.2 | 15% | 0.154 | 37% | 0.365 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -10.6 | 178.8 | 88 | 0 | 0 | 0 | 0 | 114.8 | E54 R136 | S19-E54 WeakPolarHBondContact CB-OE1 3.33Å; S19-E54 PolarHBondContact N-OE2 3.28Å; S19-E54 PolarHBondContact OG-OE1 2.92Å; S19-R136 VanDerWaalsContact CB-CZ 3.43Å; S19-R136 PolarHBondContact O-NH1 3.31Å; S19-R136 VanDerWaalsContact O-NH1 3.12Å; S19-R136 PolarHBondContact OG-NH1 2.79Å |
| 20 | Q | 90.8 | Very high | 94.3 | Very high | 108 Ų | 108 | 62.3 Ų | 62.3 | 51% | 0.505 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | -4.3 | 175.1 | -56.5 | -174.2 | 17.1 | 0 | 0 | 113.6 | S18 P22 | S18-Q20 PolarHBondContact O-N 3.37Å; S18-Q20 VanDerWaalsContact O-N 3.13Å; S18-Q20 PolarHBondContact OG-N 3.46Å; Q20-P22 VanDerWaalsContact O-CD 3.28Å; Q20-P22 WeakPolarHBondContact O-CD 3.27Å |
| 21 | N | 94.1 | Very high | 94.4 | Very high | 22 Ų | 22 | 60.1 Ų | 60.1 | 12% | 0.118 | 34% | 0.342 | C | S | . | . | trans | -73.7 | 113.9 | -178.9 | 178.3 | -1.3 | 0 | 0 | 0 | 110.5 | I16 S18 K23 F24 | I16-N21 WeakPolarHBondContact O-CB 3.43Å; I16-N21 PolarHBondContact O-ND2 3.47Å; S18-N21 WeakPolarHBondContact O-CB 3.32Å; S18-N21 PolarHBondContact O-N 3.21Å; N21-K23 PolarHBondContact O-N 3.09Å; N21-K23 VanDerWaalsContact O-N 3.12Å; N21-K23 VanDerWaalsContact OD1-CB 3.31Å; N21-K23 WeakPolarHBondContact OD1-CB 3.29Å; N21-K23 VanDerWaalsContact OD1-CG 3.32Å; N21-K23 WeakPolarHBondContact OD1-CG 3.39Å; N21-K23 PolarHBondContact OD1-N 2.81Å; N21-F24 HydrophobicContact CB-CD2 3.98Å; N21-F24 HydrophobicContact CB-CE2 4.11Å; N21-F24 PolarHBondContact O-N 3.36Å | ||
| 22 | P | 94.4 | Very high | 94.5 | Very high | 112 Ų | 112 | 57.5 Ų | 57.5 | 73% | 0.727 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -11.1 | -174.8 | 30.3 | -37.1 | 0 | 0 | 0 | 113.8 | Q20 F24 | Q20-P22 VanDerWaalsContact O-CD 3.28Å; Q20-P22 WeakPolarHBondContact O-CD 3.27Å; P22-F24 PolarHBondContact O-N 2.88Å |
| 23 | K | 95.2 | Very high | 94.5 | Very high | 61 Ų | 61 | 57.8 Ų | 57.8 | 27% | 0.265 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -18.4 | 176.5 | -62 | -176.9 | -173.8 | -176.8 | 0 | 113.3 | E13 N21 L25 L30 | E13-K23 IonicContact OE1-NZ 2.8Å; E13-K23 PolarHBondContact OE1-NZ 2.98Å; E13-K23 IonicContact OE2-NZ 2.77Å; E13-K23 PolarHBondContact OE2-NZ 3.21Å; N21-K23 PolarHBondContact O-N 3.09Å; N21-K23 VanDerWaalsContact O-N 3.12Å; N21-K23 VanDerWaalsContact OD1-CB 3.31Å; N21-K23 WeakPolarHBondContact OD1-CB 3.29Å; N21-K23 VanDerWaalsContact OD1-CG 3.32Å; N21-K23 WeakPolarHBondContact OD1-CG 3.39Å; N21-K23 PolarHBondContact OD1-N 2.81Å; K23-L25 PolarHBondContact O-N 3.24Å; K23-L30 HydrophobicContact CB-CD1 4.1Å; K23-L30 HydrophobicContact CB-CD2 4.11Å |
| 24 | F | 95.9 | Very high | 94.5 | Very high | 16 Ų | 16 | 50.9 Ų | 50.9 | 7% | 0.07 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -82.2 | 90.5 | 172.1 | -65.7 | -67 | 0 | 0 | 0 | 110 | I15 W17 N21 P22 L30 M138 V140 | I15-F24 HydrophobicContact CG2-CZ 4.1Å; W17-F24 HydrophobicContact CD2-CZ 4.28Å; W17-F24 AromaticContact CE3-CZ 3.91Å; W17-F24 HydrophobicContact CE3-CZ 3.91Å; W17-F24 HydrophobicContact CH2-CE1 4.3Å; W17-F24 HydrophobicContact CH2-CZ 4.28Å; W17-F24 HydrophobicContact CZ3-CE1 4.21Å; W17-F24 AromaticContact CZ3-CZ 3.94Å; W17-F24 HydrophobicContact CZ3-CZ 3.94Å; N21-F24 HydrophobicContact CB-CD2 3.98Å; N21-F24 HydrophobicContact CB-CE2 4.11Å; N21-F24 PolarHBondContact O-N 3.36Å; P22-F24 PolarHBondContact O-N 2.88Å; F24-L30 HydrophobicContact CD1-CB 3.96Å; F24-L30 HydrophobicContact CE1-CB 4.06Å; F24-M138 HydrophobicContact CD2-CE 4.25Å; F24-M138 HydrophobicContact CD2-CG 4.18Å; F24-M138 HydrophobicContact CE2-CE 3.94Å; F24-M138 HydrophobicContact CG-CG 4.19Å; F24-V140 HydrophobicContact CE1-CG2 3.83Å; F24-V140 HydrophobicContact CZ-CG2 4.33Å |
| 25 | L | 94.2 | Very high | 94.4 | Very high | 94 Ų | 94 | 50.5 Ų | 50.5 | 49% | 0.492 | 28% | 0.284 | S | S | . | . | B | Isolated β-bridge | trans | -68.6 | 134.6 | 179.3 | -60.3 | 179.8 | 0 | 0 | 0 | 110.9 | K23 G27 K28 G29 | K23-L25 PolarHBondContact O-N 3.24Å; L25-G27 PolarHBondContact O-N 3.49Å; L25-K28 HydrophobicContact CB-CB 4.31Å; L25-K28 PolarHBondContact O-N 3.37Å; L25-G29 PolarHBondContact N-O 2.92Å; L25-G29 PolarHBondContact O-N 3.02Å |
| 26 | P | 92.1 | Very high | 94.3 | Very high | 120 Ų | 120 | 52 Ų | 52 | 78% | 0.779 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.5 | 134.4 | 177.7 | -29.5 | 36.1 | 0 | 0 | 0 | 113.2 | K28 | P26-K28 PolarHBondContact O-N 2.97Š|
| 27 | G | 87.5 | Confident | 94.1 | Very high | 60 Ų | 60 | 48.7 Ų | 48.7 | 62% | 0.619 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.2 | -43.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | L25 K139 | L25-G27 PolarHBondContact O-N 3.49Å; G27-K139 WeakPolarHBondContact O-CE 3.34Å; G27-K139 PolarHBondContact O-NZ 3.38Å; G27-K139 VanDerWaalsContact O-NZ 3.09Å |
| 28 | K | 90 | Very high | 94.1 | Very high | 150 Ų | 150 | 48.8 Ų | 48.8 | 65% | 0.652 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -40.7 | -175.6 | -65.6 | -176.8 | 179.7 | -179.6 | 0 | 113.3 | L25 P26 K139 | L25-K28 HydrophobicContact CB-CB 4.31Å; L25-K28 PolarHBondContact O-N 3.37Å; P26-K28 PolarHBondContact O-N 2.97Å; K28-K139 VanDerWaalsContact O-CE 3.22Å; K28-K139 WeakPolarHBondContact O-CE 3.36Å |
| 29 | G | 94.4 | Very high | 94.1 | Very high | 2 Ų | 2 | 53.1 Ų | 53.1 | 2% | 0.021 | 30% | 0.297 | C | S | . | . | B | Isolated β-bridge | trans | 77.6 | -158.3 | -166 | 0 | 0 | 0 | 0 | 0 | 112.2 | L25 A137 | L25-G29 PolarHBondContact N-O 2.92Å; L25-G29 PolarHBondContact O-N 3.02Å; G29-A137 WeakPolarHBondContact CA-O 3.28Å |
| 30 | L | 96.6 | Very high | 94.3 | Very high | 23 Ų | 23 | 52.1 Ų | 52.1 | 12% | 0.12 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 131.8 | 176.6 | 174.6 | 53.9 | 0 | 0 | 0 | 109.9 | I15 K23 F24 I32 K139 V140 I141 | I15-L30 HydrophobicContact CD1-CD2 3.73Å; I15-L30 HydrophobicContact CG1-CD2 3.84Å; I15-L30 HydrophobicContact CG2-CD2 4.15Å; K23-L30 HydrophobicContact CB-CD1 4.1Å; K23-L30 HydrophobicContact CB-CD2 4.11Å; F24-L30 HydrophobicContact CD1-CB 3.96Å; F24-L30 HydrophobicContact CE1-CB 4.06Å; L30-I32 HydrophobicContact CD1-CG2 4.27Å; L30-I32 HydrophobicContact CG-CG2 4.29Å; L30-K139 PolarHBondContact N-O 3.45Å; L30-V140 HydrophobicContact CB-CG2 4.31Å; L30-V140 HydrophobicContact CD2-CG2 4.31Å; L30-V140 CarbonylContact O-C 3.53Å; L30-V140 VanDerWaalsContact O-CA 3.29Å; L30-V140 WeakPolarHBondContact O-CA 3.48Å; L30-I141 PolarHBondContact O-N 3.39Å |
| 31 | V | 96.3 | Very high | 94.6 | Very high | 57 Ų | 57 | 47.9 Ų | 47.9 | 35% | 0.345 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 137.1 | 173.4 | -173.6 | 0 | 0 | 0 | 0 | 108.9 | Y33 I141 K143 | V31-Y33 HydrophobicContact CG1-CE2 4.03Å; V31-I141 WeakPolarHBondContact CA-O 3.35Å; V31-I141 HydrophobicContact CG2-CB 4.29Å; V31-I141 HydrophobicContact CG2-CD1 4.25Å; V31-K143 HydrophobicContact CG1-CD 4.01Å; V31-K143 HydrophobicContact CG1-CG 4.43Å |
| 32 | I | 96.3 | Very high | 94.8 | Very high | 33 Ų | 33 | 47 Ų | 47 | 17% | 0.169 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 153.9 | 173.7 | 59 | 166.9 | 0 | 0 | 0 | 111.8 | I15 L30 P34 L40 V140 I141 M142 K143 | I15-I32 HydrophobicContact CD1-CD1 4.4Å; L30-I32 HydrophobicContact CD1-CG2 4.27Å; L30-I32 HydrophobicContact CG-CG2 4.29Å; I32-P34 WeakPolarHBondContact O-CD 3.46Å; I32-L40 HydrophobicContact CD1-CD1 4.38Å; I32-L40 HydrophobicContact CD1-CD2 3.58Å; I32-V140 HydrophobicContact CD1-CG1 4.22Å; I32-V140 HydrophobicContact CG1-CG1 4.11Å; I32-I141 PolarHBondContact N-O 3.47Å; I32-M142 HydrophobicContact CD1-CG 3.98Å; I32-M142 HydrophobicContact CD1-SD 4.48Å; I32-M142 HydrophobicContact CG1-CB 4.33Å; I32-M142 HydrophobicContact CG1-CG 3.96Å; I32-K143 PolarHBondContact O-N 3.4Å |
| 33 | Y | 96.3 | Very high | 94.9 | Very high | 35 Ų | 35 | 43.6 Ų | 43.6 | 14% | 0.137 | 24% | 0.241 | C | C | . | . | trans | -117.5 | 74.5 | -178.4 | -60.2 | -95.7 | 0 | 0 | 0 | 110.9 | V31 K143 Q146 A147 D148 P149 | V31-Y33 HydrophobicContact CG1-CE2 4.03Å; Y33-K143 HydrophobicContact CD1-CB 3.81Å; Y33-K143 HydrophobicContact CD1-CD 3.87Å; Y33-K143 HydrophobicContact CE1-CB 4.02Å; Y33-K143 HydrophobicContact CE1-CD 3.19Å; Y33-K143 HydrophobicContact CE1-CG 4.27Å; Y33-K143 PolarHBondContact OH-NZ 2.9Å; Y33-Q146 HydrophobicContact CD1-CB 4.32Å; Y33-A147 WeakPolarHBondContact CD1-O 3.41Å; Y33-A147 VanDerWaalsContact CE1-O 3.29Å; Y33-A147 WeakPolarHBondContact CE1-O 3.4Å; Y33-D148 HydrophobicContact CD1-CB 4.26Å; Y33-D148 HydrophobicContact CD2-CB 3.63Å; Y33-D148 VanDerWaalsContact CD2-OD2 3.25Å; Y33-D148 WeakPolarHBondContact CD2-OD2 3.47Å; Y33-D148 HydrophobicContact CE2-CB 4.2Å; Y33-D148 HydrophobicContact CG-CB 3.68Å; Y33-P149 VanDerWaalsContact OH-CD 3.27Å; Y33-P149 WeakPolarHBondContact OH-CD 3.26Å | ||
| 34 | P | 96.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 23% | 0.229 | C | C | . | . | P | Polyproline II helix | trans | -78.1 | 140 | 178.5 | 31.6 | -35.1 | 0 | 0 | 0 | 111.5 | L12 I32 F94 M142 V144 G145 | L12-P34 HydrophobicContact CD1-CB 3.54Å; I32-P34 WeakPolarHBondContact O-CD 3.46Å; P34-F94 HydrophobicContact CB-CD1 3.96Å; P34-F94 HydrophobicContact CB-CD2 3.58Å; P34-F94 HydrophobicContact CB-CE1 3.82Å; P34-F94 HydrophobicContact CB-CE2 3.43Å; P34-F94 VanDerWaalsContact CB-CE2 3.43Å; P34-F94 HydrophobicContact CB-CG 3.85Å; P34-F94 HydrophobicContact CB-CZ 3.56Å; P34-F94 HydrophobicContact CG-CD1 3.87Å; P34-F94 HydrophobicContact CG-CD2 4.35Å; P34-F94 HydrophobicContact CG-CE1 3.5Å; P34-F94 VanDerWaalsContact CG-CE1 3.5Å; P34-F94 HydrophobicContact CG-CE2 4.02Å; P34-F94 HydrophobicContact CG-CG 4.29Å; P34-F94 HydrophobicContact CG-CZ 3.58Å; P34-M142 HydrophobicContact CG-CB 4.23Å; P34-V144 HydrophobicContact CG-CG2 4.05Å; P34-V144 CarbonylContact O-C 3.58Å; P34-V144 WeakPolarHBondContact O-CA 3.39Å; P34-G145 PolarHBondContact O-N 3.42Å |
| 35 | D | 94.9 | Very high | 94.9 | Very high | 40 Ų | 40 | 42 Ų | 42 | 21% | 0.214 | 24% | 0.238 | C | C | . | . | P | Polyproline II helix | trans | -90.5 | 161.4 | 170.7 | -103 | -60.4 | 0 | 0 | 0 | 112.4 | G37 D38 F94 R108 | D35-G37 PolarHBondContact O-N 3.24Å; D35-D38 PolarHBondContact N-OD2 2.93Å; D35-D38 VanDerWaalsContact O-CB 3.31Å; D35-D38 WeakPolarHBondContact O-CB 3.38Å; D35-D38 PolarHBondContact O-N 3.29Å; D35-D38 VanDerWaalsContact O-N 3.15Å; D35-F94 WeakPolarHBondContact O-CB 3.49Å; D35-R108 IonicContact OD1-CZ 3.66Å; D35-R108 VanDerWaalsContact OD1-CZ 3.24Å; D35-R108 IonicContact OD1-NH1 2.81Å; D35-R108 PolarHBondContact OD1-NH1 3.24Å; D35-R108 IonicContact OD1-NH2 3.61Å; D35-R108 PolarHBondContact OD1-NH2 2.86Å |
| 36 | I | 94.3 | Very high | 94.8 | Very high | 34 Ų | 34 | 38.8 Ų | 38.8 | 17% | 0.174 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | 123.9 | 171.1 | -59.7 | -62.3 | 0 | 0 | 0 | 109 | E96 F106 R108 V144 | I36-E96 HydrophobicContact CD1-CG 4.13Å; I36-E96 HydrophobicContact CG1-CG 4.47Å; I36-E96 HydrophobicContact CG2-CG 4.21Å; I36-F106 HydrophobicContact CD1-CB 4.42Å; I36-F106 VanDerWaalsContact CD1-O 3.26Å; I36-F106 WeakPolarHBondContact CD1-O 3.43Å; I36-R108 HydrophobicContact CG1-CB 4.38Å; I36-V144 HydrophobicContact CD1-CG1 3.52Å; I36-V144 HydrophobicContact CG1-CG1 4.28Å |
| 37 | G | 92.9 | Very high | 94.7 | Very high | 19 Ų | 19 | 35.3 Ų | 35.3 | 20% | 0.196 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 115.9 | -30.8 | -171.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | A9 D35 F94 | A9-G37 WeakPolarHBondContact CB-O 3.33Å; D35-G37 PolarHBondContact O-N 3.24Å; G37-F94 PolarHBondContact N-O 3.08Å |
| 38 | D | 95.7 | Very high | 94.5 | Very high | 2 Ų | 2 | 37.1 Ų | 37.1 | 1% | 0.011 | 20% | 0.201 | C | C | . | . | trans | -65.6 | 159.9 | -170.1 | -71.5 | -6.2 | 0 | 0 | 0 | 113.8 | K10 L12 D35 K93 F94 | K10-D38 WeakPolarHBondContact CE-OD2 3.34Å; K10-D38 VanDerWaalsContact CG-CG 3.43Å; K10-D38 WeakPolarHBondContact CG-OD1 3.33Å; K10-D38 WeakPolarHBondContact CG-OD2 3.1Å; K10-D38 PolarHBondContact N-OD1 3.05Å; K10-D38 WeakPolarHBondContact O-CA 3.39Å; L12-D38 HydrophobicContact CD1-CB 3.96Å; L12-D38 HydrophobicContact CG-CB 4.18Å; D35-D38 PolarHBondContact N-OD2 2.93Å; D35-D38 VanDerWaalsContact O-CB 3.31Å; D35-D38 WeakPolarHBondContact O-CB 3.38Å; D35-D38 PolarHBondContact O-N 3.29Å; D35-D38 VanDerWaalsContact O-N 3.15Å; D38-K93 WeakPolarHBondContact O-CA 3.11Å; D38-F94 HydrophobicContact CB-CD2 4Å; D38-F94 PolarHBondContact O-N 3.11Å | ||
| 39 | K | 95.6 | Very high | 93.4 | Very high | 106 Ų | 106 | 40 Ų | 40 | 46% | 0.461 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 138.3 | 174.2 | -61.9 | 175 | -172.9 | 170.3 | 0 | 110.2 | K10 L12 T91 I92 K93 | K10-K39 PolarHBondContact O-N 3.11Å; L12-K39 WeakPolarHBondContact CB-O 3.34Å; L12-K39 PolarHBondContact N-O 3.31Å; K39-T91 HydrophobicContact CB-CG2 4.48Å; K39-I92 CarbonylContact C-O 3.57Å; K39-I92 VanDerWaalsContact CA-O 3.32Å; K39-I92 WeakPolarHBondContact CA-O 3.41Å; K39-K93 HydrophobicContact CG-CG 4.47Å |
| 40 | L | 97.3 | Very high | 92.3 | Very high | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 128 | 175.7 | 171.3 | 68 | 0 | 0 | 0 | 109.7 | L12 E13 I15 I32 I42 T91 I92 F94 M142 | L12-L40 HydrophobicContact CB-CB 4.5Å; L12-L40 HydrophobicContact CB-CD1 4.17Å; L12-L40 HydrophobicContact CD1-CB 4.27Å; E13-L40 WeakPolarHBondContact O-CD1 3.4Å; I15-L40 HydrophobicContact CD1-CD1 3.88Å; I15-L40 HydrophobicContact CD1-CD2 4.06Å; I15-L40 HydrophobicContact CD1-CG 4.45Å; I15-L40 HydrophobicContact CG1-CD1 4.04Å; I32-L40 HydrophobicContact CD1-CD1 4.38Å; I32-L40 HydrophobicContact CD1-CD2 3.58Å; L40-I42 HydrophobicContact CG-CG1 4.47Å; L40-T91 CarbonylContact O-C 3.58Å; L40-T91 WeakPolarHBondContact O-CA 3.25Å; L40-I92 HydrophobicContact CB-CB 4.4Å; L40-I92 HydrophobicContact CD2-CD1 4.5Å; L40-I92 PolarHBondContact N-O 3.02Å; L40-I92 PolarHBondContact O-N 2.9Å; L40-F94 HydrophobicContact CB-CE2 3.73Å; L40-F94 HydrophobicContact CB-CZ 4.29Å; L40-F94 HydrophobicContact CD2-CE2 4.34Å; L40-F94 HydrophobicContact CD2-CZ 4.1Å; L40-M142 HydrophobicContact CD2-SD 4.22Å |
| 41 | D | 97.2 | Very high | 91.5 | Very high | 18 Ų | 18 | 50.1 Ų | 50.1 | 10% | 0.096 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 131.6 | 171.9 | -70.7 | -34 | 0 | 0 | 0 | 111 | T14 I15 K89 T91 | T14-D41 WeakPolarHBondContact CA-O 3.33Å; T14-D41 HydrophobicContact CG2-CB 3.98Å; I15-D41 PolarHBondContact N-O 3.39Å; D41-K89 WeakPolarHBondContact OD1-CE 3.2Å; D41-K89 IonicContact OD1-NZ 2.65Å; D41-K89 PolarHBondContact OD1-NZ 2.87Å; D41-K89 VanDerWaalsContact OD2-CE 3.31Å; D41-K89 WeakPolarHBondContact OD2-CE 3.38Å; D41-K89 IonicContact OD2-NZ 2.66Å; D41-K89 PolarHBondContact OD2-NZ 2.89Å; D41-T91 WeakPolarHBondContact OD1-CB 3.34Å; D41-T91 WeakPolarHBondContact OD1-CG2 3.39Å; D41-T91 PolarHBondContact OD1-OG1 2.94Å |
| 42 | I | 97.5 | Very high | 91 | Very high | 3 Ų | 3 | 55 Ų | 55 | 2% | 0.015 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 125.9 | 167.5 | -55.2 | 179 | 0 | 0 | 0 | 107.4 | I15 W17 L40 L58 K89 F90 I92 I114 | I15-I42 HydrophobicContact CB-CG1 4.45Å; I15-I42 CarbonylContact O-C 3.6Å; I15-I42 WeakPolarHBondContact O-CA 3.36Å; W17-I42 HydrophobicContact CB-CG2 4.15Å; W17-I42 HydrophobicContact CE3-CG2 4.21Å; L40-I42 HydrophobicContact CG-CG1 4.47Å; I42-L58 HydrophobicContact CG2-CD1 4.05Å; I42-K89 WeakPolarHBondContact O-CA 3.4Å; I42-F90 PolarHBondContact N-O 2.96Å; I42-F90 PolarHBondContact O-N 3.06Å; I42-I92 HydrophobicContact CD1-CD1 3.92Å; I42-I114 HydrophobicContact CD1-CD1 3.82Å |
| 43 | I | 96.8 | Very high | 90.9 | Very high | 42 Ų | 42 | 54.4 Ų | 54.4 | 22% | 0.215 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 125.8 | -178.1 | -61.4 | -174.8 | 0 | 0 | 0 | 110.3 | T14 I15 I16 W17 I88 K89 | T14-I43 HydrophobicContact CG2-CB 4.33Å; T14-I43 HydrophobicContact CG2-CD1 3.64Å; T14-I43 HydrophobicContact CG2-CG1 3.71Å; I15-I43 PolarHBondContact O-N 3.43Å; I16-I43 CarbonylContact C-O 3.46Å; I16-I43 WeakPolarHBondContact CA-O 3.35Å; W17-I43 PolarHBondContact N-O 3.14Å; I43-I88 CarbonylContact C-O 3.59Å; I43-I88 WeakPolarHBondContact CA-O 3.39Å; I43-K89 HydrophobicContact CD1-CD 4.42Å; I43-K89 HydrophobicContact CG1-CB 4.1Å; I43-K89 HydrophobicContact CG1-CG 4.2Å |
| 44 | C | 95.9 | Very high | 90.9 | Very high | 3 Ų | 3 | 54.9 Ų | 54.9 | 2% | 0.02 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 113.9 | 160.4 | -72.6 | 0 | 0 | 0 | 0 | 108.6 | C81 I88 | C44-C81 HydrophobicContact CB-CB 3.52Å; C44-C81 WeakPolarHBondContact CB-SG 3.31Å; C44-C81 WeakPolarHBondContact SG-CB 3.48Å; C44-C81 CovalentContact SG-SG 2.02Å; C44-C81 PolarHBondContact SG-SG 2.81Å; C44-I88 HydrophobicContact CB-CB 4.35Å; C44-I88 PolarHBondContact N-O 3.26Å; C44-I88 PolarHBondContact O-N 3.34Å |
| 45 | P | 94.7 | Very high | 90.9 | Very high | 40 Ų | 40 | 56.5 Ų | 56.5 | 26% | 0.26 | 31% | 0.309 | S | S | . | . | trans | -71.5 | 152.6 | -176.8 | 30.4 | -34.8 | 0 | 0 | 0 | 111.7 | I16 Y53 N87 | I16-P45 HydrophobicContact CG2-CG 4.08Å; P45-Y53 WeakPolarHBondContact O-CD2 3.44Å; P45-Y53 WeakPolarHBondContact O-CE2 3.43Å; P45-N87 VanDerWaalsContact CA-OD1 3.28Å; P45-N87 WeakPolarHBondContact CA-OD1 3.5Å | ||
| 46 | S | 92.8 | Very high | 91 | Very high | 27 Ų | 27 | 54.8 Ų | 54.8 | 19% | 0.189 | 30% | 0.299 | C | S | . | . | trans | -64.6 | 164.2 | 169.8 | 41.9 | 0 | 0 | 0 | 0 | 112.7 | D48 P84 N87 | S46-D48 PolarHBondContact O-N 2.82Å; S46-D48 VanDerWaalsContact O-N 3.12Å; S46-D48 PolarHBondContact OG-OD1 3.38Å; S46-P84 WeakPolarHBondContact CA-O 3.22Å; S46-P84 WeakPolarHBondContact CB-O 3.25Å; S46-N87 PolarHBondContact N-OD1 2.8Å; S46-N87 PolarHBondContact OG-OD1 2.91Å | ||
| 47 | A | 89.6 | Confident | 91.2 | Very high | 46 Ų | 46 | 54.4 Ų | 54.4 | 38% | 0.38 | 30% | 0.297 | S | S | . | . | trans | -68.4 | 104.6 | 161.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | P84 | A47-P84 PolarHBondContact N-O 2.93Š| ||
| 48 | D | 83.2 | Confident | 91.4 | Very high | 99 Ų | 99 | 53.5 Ų | 53.5 | 53% | 0.529 | 29% | 0.287 | S | S | . | . | trans | -82.2 | 161.4 | 170.4 | -64 | -22 | 0 | 0 | 0 | 110.4 | S46 G50 R51 | S46-D48 PolarHBondContact O-N 2.82Å; S46-D48 VanDerWaalsContact O-N 3.12Å; S46-D48 PolarHBondContact OG-OD1 3.38Å; D48-G50 PolarHBondContact O-N 3.13Å; D48-R51 PolarHBondContact O-N 3.29Å | ||
| 49 | Q | 67.2 | Low | 91.4 | Very high | 210 Ų | 210 | 53.5 Ų | 53.5 | 98% | 0.981 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | 107 | -176.8 | -64.3 | -176.6 | 8.2 | 0 | 0 | 111.1 | ||
| 50 | G | 71.1 | Confident | 91.5 | Very high | 84 Ų | 84 | 49.7 Ų | 49.7 | 87% | 0.866 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 107.3 | 7.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | D48 | D48-G50 PolarHBondContact O-N 3.13Š|
| 51 | R | 79.9 | Confident | 91.4 | Very high | 153 Ų | 153 | 50.3 Ų | 50.3 | 58% | 0.577 | 28% | 0.275 | S | S | * | . | trans | -136.8 | 135.7 | 174.1 | -62.7 | -179 | -178.2 | -166.5 | -5 | 112.1 | D48 | D48-R51 PolarHBondContact O-N 3.29Š| ||
| 52 | D | 86.7 | Confident | 91.3 | Very high | 159 Ų | 159 | 54.8 Ų | 54.8 | 85% | 0.85 | 29% | 0.294 | S | S | * | . | P | Polyproline II helix | trans | -69.2 | 148 | 171 | -63.2 | -46.1 | 0 | 0 | 0 | 111.2 | ||
| 53 | Y | 93.7 | Very high | 91.2 | Very high | 22 Ų | 22 | 60.4 Ų | 60.4 | 9% | 0.086 | 32% | 0.315 | C | S | . | . | P | Polyproline II helix | trans | -75.7 | 133.3 | 175 | -174.1 | -106.1 | 0 | 0 | 0 | 111.2 | P45 F55 C81 N82 K83 P84 | P45-Y53 WeakPolarHBondContact O-CD2 3.44Å; P45-Y53 WeakPolarHBondContact O-CE2 3.43Å; Y53-F55 AromaticContact CD1-CD1 3.83Å; Y53-F55 HydrophobicContact CD1-CD1 3.83Å; Y53-F55 AromaticContact CD1-CD2 3.93Å; Y53-F55 HydrophobicContact CD1-CD2 3.93Å; Y53-F55 AromaticContact CD1-CE1 3.66Å; Y53-F55 HydrophobicContact CD1-CE1 3.66Å; Y53-F55 AromaticContact CD1-CE2 3.77Å; Y53-F55 HydrophobicContact CD1-CE2 3.77Å; Y53-F55 AromaticContact CD1-CG 3.96Å; Y53-F55 HydrophobicContact CD1-CG 3.96Å; Y53-F55 AromaticContact CD1-CZ 3.65Å; Y53-F55 HydrophobicContact CD1-CZ 3.65Å; Y53-F55 AromaticContact CE1-CD1 3.81Å; Y53-F55 HydrophobicContact CE1-CD1 3.81Å; Y53-F55 AromaticContact CE1-CE1 3.85Å; Y53-F55 HydrophobicContact CE1-CE1 3.85Å; Y53-F55 HydrophobicContact CE1-CG 4.24Å; Y53-F55 HydrophobicContact CE1-CZ 4.31Å; Y53-F55 WeakPolarHBondContact O-CD2 3.36Å; Y53-C81 WeakPolarHBondContact CE1-O 3.22Å; Y53-C81 VanDerWaalsContact OH-C 3.28Å; Y53-N82 PolarHBondContact OH-N 3.27Å; Y53-K83 PolarHBondContact OH-N 2.9Å; Y53-K83 PolarHBondContact OH-O 2.76Å; Y53-P84 HydrophobicContact CD1-CB 4.06Å; Y53-P84 VanDerWaalsContact CD2-CA 3.5Å; Y53-P84 HydrophobicContact CD2-CB 4.09Å; Y53-P84 HydrophobicContact CG-CB 3.71Å |
| 54 | E | 95.3 | Very high | 91.2 | Very high | 45 Ų | 45 | 64.1 Ų | 64.1 | 21% | 0.21 | 33% | 0.331 | C | S | . | . | P | Polyproline II helix | trans | -94.7 | 116.9 | 178.2 | -53.8 | -172.5 | 126.3 | 0 | 0 | 110.8 | S18 S19 Y56 | S18-E54 WeakPolarHBondContact CA-OE2 3.42Å; S18-E54 VanDerWaalsContact CB-OE2 3.29Å; S18-E54 WeakPolarHBondContact CB-OE2 3.29Å; S18-E54 PolarHBondContact OG-OE2 3.47Å; S19-E54 WeakPolarHBondContact CB-OE1 3.33Å; S19-E54 PolarHBondContact N-OE2 3.28Å; S19-E54 PolarHBondContact OG-OE1 2.92Å; E54-Y56 HydrophobicContact CB-CD2 3.96Å; E54-Y56 HydrophobicContact CB-CE2 3.26Å; E54-Y56 HydrophobicContact CG-CE2 4.27Å |
| 55 | F | 96.6 | Very high | 91.2 | Very high | 34 Ų | 34 | 64.6 Ų | 64.6 | 15% | 0.149 | 33% | 0.333 | C | S | . | . | B | Isolated β-bridge | trans | -86.3 | 115.9 | -177.8 | -68.5 | -89 | 0 | 0 | 0 | 111 | Y53 G120 I122 L125 | Y53-F55 AromaticContact CD1-CD1 3.83Å; Y53-F55 HydrophobicContact CD1-CD1 3.83Å; Y53-F55 AromaticContact CD1-CD2 3.93Å; Y53-F55 HydrophobicContact CD1-CD2 3.93Å; Y53-F55 AromaticContact CD1-CE1 3.66Å; Y53-F55 HydrophobicContact CD1-CE1 3.66Å; Y53-F55 AromaticContact CD1-CE2 3.77Å; Y53-F55 HydrophobicContact CD1-CE2 3.77Å; Y53-F55 AromaticContact CD1-CG 3.96Å; Y53-F55 HydrophobicContact CD1-CG 3.96Å; Y53-F55 AromaticContact CD1-CZ 3.65Å; Y53-F55 HydrophobicContact CD1-CZ 3.65Å; Y53-F55 AromaticContact CE1-CD1 3.81Å; Y53-F55 HydrophobicContact CE1-CD1 3.81Å; Y53-F55 AromaticContact CE1-CE1 3.85Å; Y53-F55 HydrophobicContact CE1-CE1 3.85Å; Y53-F55 HydrophobicContact CE1-CG 4.24Å; Y53-F55 HydrophobicContact CE1-CZ 4.31Å; Y53-F55 WeakPolarHBondContact O-CD2 3.36Å; F55-G120 PolarHBondContact N-O 2.85Å; F55-G120 WeakPolarHBondContact O-CA 3.39Å; F55-I122 HydrophobicContact CD1-CB 4.41Å; F55-I122 HydrophobicContact CD1-CD1 3.72Å; F55-I122 HydrophobicContact CD2-CB 4.04Å; F55-I122 HydrophobicContact CE1-CB 4.46Å; F55-I122 HydrophobicContact CE1-CD1 3.76Å; F55-I122 HydrophobicContact CE2-CB 4.08Å; F55-I122 HydrophobicContact CG-CB 4.2Å; F55-I122 HydrophobicContact CG-CD1 4.29Å; F55-I122 HydrophobicContact CZ-CB 4.29Å; F55-I122 HydrophobicContact CZ-CD1 4.35Å; F55-L125 HydrophobicContact CB-CB 4.46Å; F55-L125 HydrophobicContact CB-CD1 4.22Å |
| 56 | Y | 97.6 | Very high | 91.2 | Very high | 3 Ų | 3 | 62.8 Ų | 62.8 | 1% | 0.012 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 140.7 | -177 | -64.6 | -58.7 | 0 | 0 | 0 | 113.1 | W17 E54 C81 L125 V132 M138 | W17-Y56 AromaticContact CD1-CD2 3.46Å; W17-Y56 VanDerWaalsContact CD1-CD2 3.46Å; W17-Y56 AromaticContact CD1-CE2 3.97Å; W17-Y56 AromaticContact CD1-CG 3.73Å; W17-Y56 AromaticContact NE1-CD2 3.98Å; W17-Y56 AromaticContact NE1-CG 3.84Å; E54-Y56 HydrophobicContact CB-CD2 3.96Å; E54-Y56 HydrophobicContact CB-CE2 3.26Å; E54-Y56 HydrophobicContact CG-CE2 4.27Å; Y56-C81 PolarHBondContact N-O 2.78Å; Y56-C81 WeakPolarHBondContact O-CA 3.43Å; Y56-C81 VanDerWaalsContact O-CB 3.29Å; Y56-C81 WeakPolarHBondContact O-CB 3.35Å; Y56-C81 PolarHBondContact O-N 3.39Å; Y56-L125 VanDerWaalsContact C-CD1 3.41Å; Y56-V132 HydrophobicContact CD1-CG2 4.03Å; Y56-V132 HydrophobicContact CE1-CB 4.28Å; Y56-V132 HydrophobicContact CE1-CG1 3.64Å; Y56-V132 HydrophobicContact CE1-CG2 3.7Å; Y56-M138 HydrophobicContact CE2-CE 4.44Å |
| 57 | K | 97.5 | Very high | 91.3 | Very high | 27 Ų | 27 | 67.3 Ų | 67.3 | 12% | 0.117 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 123.6 | 167.6 | -163.3 | 162 | 178.2 | 174.7 | 0 | 109.3 | Y59 V77 S116 S118 L125 E126 | K57-Y59 HydrophobicContact CB-CE2 3.87Å; K57-Y59 HydrophobicContact CD-CE2 4.43Å; K57-Y59 WeakPolarHBondContact CD-OH 3.47Å; K57-Y59 HydrophobicContact CG-CE2 3.8Å; K57-Y59 WeakPolarHBondContact O-CD2 3.05Å; K57-Y59 WeakPolarHBondContact O-CE2 3.44Å; K57-V77 HydrophobicContact CG-CG1 4.2Å; K57-S116 PolarHBondContact N-OG 2.87Å; K57-S116 WeakPolarHBondContact O-CA 3.41Å; K57-S116 VanDerWaalsContact O-CB 3.24Å; K57-S116 WeakPolarHBondContact O-CB 3.3Å; K57-S116 PolarHBondContact O-OG 2.89Å; K57-S118 PolarHBondContact N-OG 3.25Å; K57-L125 HydrophobicContact CB-CD1 4.01Å; K57-E126 WeakPolarHBondContact CD-OE1 3.19Å; K57-E126 IonicContact NZ-OE1 2.75Å; K57-E126 PolarHBondContact NZ-OE1 2.77Å; K57-E126 IonicContact NZ-OE2 3.31Å; K57-E126 PolarHBondContact NZ-OE2 3.12Å |
| 58 | L | 97.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 132.3 | -171.5 | -86.8 | 165.4 | 0 | 0 | 0 | 111.2 | W17 I42 L78 V79 I114 | W17-L58 HydrophobicContact CB-CD1 4.31Å; W17-L58 HydrophobicContact CD2-CD1 3.82Å; W17-L58 HydrophobicContact CD2-CD2 3.55Å; W17-L58 HydrophobicContact CD2-CG 4.13Å; W17-L58 VanDerWaalsContact CE2-CD2 3.43Å; W17-L58 HydrophobicContact CE3-CD1 4.02Å; W17-L58 HydrophobicContact CE3-CD2 3.58Å; W17-L58 HydrophobicContact CE3-CG 4.42Å; W17-L58 HydrophobicContact CG-CD1 3.88Å; W17-L58 HydrophobicContact CG-CD2 4.36Å; W17-L58 HydrophobicContact CG-CG 4.48Å; W17-L58 HydrophobicContact CH2-CD2 3.49Å; W17-L58 VanDerWaalsContact CH2-CD2 3.49Å; W17-L58 HydrophobicContact CZ2-CD2 3.45Å; W17-L58 VanDerWaalsContact CZ2-CD2 3.45Å; W17-L58 HydrophobicContact CZ3-CD2 3.53Å; I42-L58 HydrophobicContact CG2-CD1 4.05Å; L58-L78 HydrophobicContact CB-CB 4.49Å; L58-L78 PolarHBondContact O-N 3Å; L58-V79 HydrophobicContact CB-CG1 3.68Å; L58-V79 HydrophobicContact CD1-CG1 3.48Å; L58-V79 VanDerWaalsContact CD1-CG1 3.48Å; L58-V79 HydrophobicContact CG-CG1 4.16Å; L58-V79 PolarHBondContact N-O 2.8Å; L58-I114 HydrophobicContact CD2-CG2 3.6Å |
| 59 | Y | 97.1 | Very high | 92.2 | Very high | 1 Ų | 1 | 63.5 Ų | 63.5 | 0% | 0.004 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 139.3 | -175.6 | -60.4 | -99.6 | 0 | 0 | 0 | 110.8 | K57 T71 P75 N76 V77 I114 T115 R128 | K57-Y59 HydrophobicContact CB-CE2 3.87Å; K57-Y59 HydrophobicContact CD-CE2 4.43Å; K57-Y59 WeakPolarHBondContact CD-OH 3.47Å; K57-Y59 HydrophobicContact CG-CE2 3.8Å; K57-Y59 WeakPolarHBondContact O-CD2 3.05Å; K57-Y59 WeakPolarHBondContact O-CE2 3.44Å; Y59-T71 HydrophobicContact CD1-CG2 4.25Å; Y59-T71 HydrophobicContact CD2-CG2 3.83Å; Y59-T71 HydrophobicContact CE2-CG2 4.33Å; Y59-T71 HydrophobicContact CG-CG2 3.79Å; Y59-P75 HydrophobicContact CD1-CB 4.14Å; Y59-P75 HydrophobicContact CE1-CB 3.93Å; Y59-N76 CarbonylContact C-O 3.55Å; Y59-N76 VanDerWaalsContact CA-O 3.23Å; Y59-N76 WeakPolarHBondContact CA-O 3.01Å; Y59-V77 HydrophobicContact CD1-CG2 3.88Å; Y59-V77 HydrophobicContact CE1-CG2 3.56Å; Y59-I114 VanDerWaalsContact O-CA 3.29Å; Y59-I114 WeakPolarHBondContact O-CA 3.49Å; Y59-T115 PolarHBondContact N-O 3.35Å; Y59-T115 PolarHBondContact O-N 3.3Å; Y59-T115 VanDerWaalsContact O-N 3.08Å; Y59-R128 PolarHBondContact OH-NE 3.26Å |
| 60 | L | 96.2 | Very high | 93.6 | Very high | 26 Ų | 26 | 54.6 Ų | 54.6 | 14% | 0.136 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 124 | 159.9 | -175.9 | 68.2 | 0 | 0 | 0 | 107.3 | N76 L78 L104 Y112 I114 M142 | L60-N76 HydrophobicContact CB-CB 4.33Å; L60-N76 PolarHBondContact N-O 3.19Å; L60-L78 HydrophobicContact CB-CD1 4.08Å; L60-L78 HydrophobicContact CB-CD2 3.89Å; L60-L78 HydrophobicContact CB-CG 4.04Å; L60-L104 HydrophobicContact CD2-CD2 3.96Å; L60-Y112 HydrophobicContact CD1-CD1 4.42Å; L60-I114 HydrophobicContact CD1-CG1 4.06Å; L60-M142 HydrophobicContact CD1-CE 4.16Å |
| 61 | V | 96 | Very high | 94.7 | Very high | 14 Ų | 14 | 50.7 Ų | 50.7 | 9% | 0.085 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 158.5 | -169.8 | -55.9 | 0 | 0 | 0 | 0 | 112.1 | Q65 A66 T71 Y113 T115 | V61-Q65 HydrophobicContact CB-CB 3.82Å; V61-Q65 HydrophobicContact CG2-CB 4.23Å; V61-A66 HydrophobicContact CG2-CB 3.83Å; V61-T71 HydrophobicContact CG1-CG2 3.95Å; V61-Y113 PolarHBondContact N-O 3.06Å; V61-T115 HydrophobicContact CG1-CG2 4.23Å; V61-T115 HydrophobicContact CG2-CG2 3.96Å |
| 62 | K | 95.3 | Very high | 95.3 | Very high | 112 Ų | 112 | 47.1 Ų | 47.1 | 49% | 0.487 | 23% | 0.233 | S | C | . | . | trans | -71.2 | 165.5 | 169.6 | -61 | 168 | -178.9 | 164.3 | 0 | 110.2 | E64 Q65 A66 D74 | K62-E64 VanDerWaalsContact C-N 3.34Å; K62-E64 WeakPolarHBondContact CB-OE2 3.02Å; K62-E64 PolarHBondContact O-N 3.38Å; K62-Q65 HydrophobicContact CB-CG 4.34Å; K62-Q65 VanDerWaalsContact N-OE1 3.08Å; K62-Q65 WeakPolarHBondContact O-CB 3.13Å; K62-Q65 PolarHBondContact O-N 3.45Å; K62-A66 PolarHBondContact O-N 2.95Å; K62-A66 VanDerWaalsContact O-N 3.14Å; K62-D74 IonicContact NZ-OD2 3.24Å; K62-D74 PolarHBondContact NZ-OD2 2.66Å | ||
| 63 | R | 95.1 | Very high | 95.4 | Very high | 121 Ų | 121 | 45.3 Ų | 45.3 | 46% | 0.457 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -57.7 | -47.7 | -176.7 | -179.4 | 179.9 | -165.6 | 129 | 10.6 | 112.1 | Q65 A66 E67 Y113 | R63-Q65 PolarHBondContact O-N 3.23Å; R63-A66 PolarHBondContact O-N 3.31Å; R63-E67 HydrophobicContact CG-CG 4.48Å; R63-E67 WeakPolarHBondContact CG-OE1 3.44Å; R63-E67 IonicContact CZ-OE1 2.67Å; R63-E67 IonicContact NE-OE1 2.61Å; R63-E67 PolarHBondContact NE-OE1 3.33Å; R63-E67 IonicContact NH2-OE1 2.64Å; R63-E67 WeakPolarHBondContact O-CG 3.34Å; R63-E67 PolarHBondContact O-N 2.96Å; R63-Y113 HydrophobicContact CB-CD2 4.33Å; R63-Y113 HydrophobicContact CB-CE2 3.71Å; R63-Y113 HydrophobicContact CG-CE2 4.13Å |
| 64 | E | 95.6 | Very high | 95.1 | Very high | 120 Ų | 120 | 49.7 Ų | 49.7 | 56% | 0.561 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -63 | -32.2 | -175.8 | -53.1 | 69.4 | -148.6 | 0 | 0 | 110.6 | K62 S68 | K62-E64 VanDerWaalsContact C-N 3.34Å; K62-E64 WeakPolarHBondContact CB-OE2 3.02Å; K62-E64 PolarHBondContact O-N 3.38Å; E64-S68 VanDerWaalsContact O-CB 3.28Å; E64-S68 WeakPolarHBondContact O-CB 3.41Å; E64-S68 PolarHBondContact O-N 3.32Å; E64-S68 PolarHBondContact O-OG 2.93Å |
| 65 | Q | 95.8 | Very high | 94.6 | Very high | 14 Ų | 14 | 50.4 Ų | 50.4 | 7% | 0.065 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -74.9 | -34.9 | 176.1 | -64.1 | -175.4 | -84.5 | 0 | 0 | 112.8 | V61 K62 R63 C69 S70 L73 | V61-Q65 HydrophobicContact CB-CB 3.82Å; V61-Q65 HydrophobicContact CG2-CB 4.23Å; K62-Q65 HydrophobicContact CB-CG 4.34Å; K62-Q65 VanDerWaalsContact N-OE1 3.08Å; K62-Q65 WeakPolarHBondContact O-CB 3.13Å; K62-Q65 PolarHBondContact O-N 3.45Å; R63-Q65 PolarHBondContact O-N 3.23Å; Q65-C69 CarbonylContact O-C 3.48Å; Q65-C69 WeakPolarHBondContact O-CA 3.26Å; Q65-C69 PolarHBondContact O-N 3.38Å; Q65-S70 WeakPolarHBondContact CB-O 3.38Å; Q65-S70 WeakPolarHBondContact CG-O 3.31Å; Q65-S70 PolarHBondContact NE2-O 2.92Å; Q65-S70 PolarHBondContact O-N 2.75Å; Q65-S70 VanDerWaalsContact O-N 3.11Å; Q65-L73 PolarHBondContact NE2-O 3.37Å |
| 66 | A | 95.2 | Very high | 94.4 | Very high | 2 Ų | 2 | 52.2 Ų | 52.2 | 2% | 0.017 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -73.9 | -28.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | V61 K62 R63 Y113 | V61-A66 HydrophobicContact CG2-CB 3.83Å; K62-A66 PolarHBondContact O-N 2.95Å; K62-A66 VanDerWaalsContact O-N 3.14Å; R63-A66 PolarHBondContact O-N 3.31Å; A66-Y113 HydrophobicContact CB-CD1 3.89Å; A66-Y113 HydrophobicContact CB-CG 3.9Å |
| 67 | E | 94.7 | Very high | 94.3 | Very high | 121 Ų | 121 | 55 Ų | 55 | 57% | 0.565 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -80 | -43.2 | 176.1 | -70.7 | 173.1 | -175.9 | 0 | 0 | 111.6 | R63 | R63-E67 HydrophobicContact CG-CG 4.48Å; R63-E67 WeakPolarHBondContact CG-OE1 3.44Å; R63-E67 IonicContact CZ-OE1 2.67Å; R63-E67 IonicContact NE-OE1 2.61Å; R63-E67 PolarHBondContact NE-OE1 3.33Å; R63-E67 IonicContact NH2-OE1 2.64Å; R63-E67 WeakPolarHBondContact O-CG 3.34Å; R63-E67 PolarHBondContact O-N 2.96Å |
| 68 | S | 96 | Very high | 94.1 | Very high | 59 Ų | 59 | 54.7 Ų | 54.7 | 41% | 0.413 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -78.3 | -17 | 174.5 | 60.6 | 0 | 0 | 0 | 0 | 114.5 | E64 K134 | E64-S68 VanDerWaalsContact O-CB 3.28Å; E64-S68 WeakPolarHBondContact O-CB 3.41Å; E64-S68 PolarHBondContact O-N 3.32Å; E64-S68 PolarHBondContact O-OG 2.93Å; S68-K134 WeakPolarHBondContact O-CE 3.39Å; S68-K134 PolarHBondContact O-NZ 2.91Å |
| 69 | C | 96.3 | Very high | 94 | Very high | 6 Ų | 6 | 55.7 Ų | 55.7 | 4% | 0.041 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 52.3 | 56.4 | -168.3 | -64.6 | 0 | 0 | 0 | 0 | 112.6 | Q65 T117 E129 G130 C133 K134 | Q65-C69 CarbonylContact O-C 3.48Å; Q65-C69 WeakPolarHBondContact O-CA 3.26Å; Q65-C69 PolarHBondContact O-N 3.38Å; C69-T117 WeakPolarHBondContact O-CG2 3.36Å; C69-E129 WeakPolarHBondContact O-CA 3.35Å; C69-G130 PolarHBondContact O-N 3.3Å; C69-C133 HydrophobicContact CB-CB 3.6Å; C69-C133 WeakPolarHBondContact CB-SG 3.47Å; C69-C133 WeakPolarHBondContact SG-CB 3.44Å; C69-C133 CovalentContact SG-SG 2.03Å; C69-C133 PolarHBondContact SG-SG 2.94Å; C69-K134 HydrophobicContact CB-CD 4.27Å; C69-K134 HydrophobicContact CB-CG 3.59Å |
| 70 | S | 96.4 | Very high | 94 | Very high | 24 Ų | 24 | 58 Ų | 58 | 17% | 0.168 | 30% | 0.303 | C | S | . | . | B | Isolated β-bridge | trans | -132.5 | 122.8 | 174.8 | -178.4 | 0 | 0 | 0 | 0 | 112.5 | Q65 V72 R128 E129 | Q65-S70 WeakPolarHBondContact CB-O 3.38Å; Q65-S70 WeakPolarHBondContact CG-O 3.31Å; Q65-S70 PolarHBondContact NE2-O 2.92Å; Q65-S70 PolarHBondContact O-N 2.75Å; Q65-S70 VanDerWaalsContact O-N 3.11Å; S70-V72 WeakPolarHBondContact OG-CG2 3.23Å; S70-R128 CarbonylContact C-O 3.42Å; S70-R128 WeakPolarHBondContact CA-O 3.47Å; S70-E129 PolarHBondContact OG-OE1 2.99Å |
| 71 | T | 94 | Very high | 94 | Very high | 2 Ų | 2 | 56.8 Ų | 56.8 | 1% | 0.012 | 30% | 0.297 | C | S | . | . | trans | -107.5 | 25 | 179.4 | 60.8 | 0 | 0 | 0 | 0 | 112 | Y59 V61 T117 R128 | Y59-T71 HydrophobicContact CD1-CG2 4.25Å; Y59-T71 HydrophobicContact CD2-CG2 3.83Å; Y59-T71 HydrophobicContact CE2-CG2 4.33Å; Y59-T71 HydrophobicContact CG-CG2 3.79Å; V61-T71 HydrophobicContact CG1-CG2 3.95Å; T71-T117 HydrophobicContact CG2-CG2 3.83Å; T71-T117 PolarHBondContact OG1-OG1 3.45Å; T71-R128 PolarHBondContact N-O 2.94Å; T71-R128 PolarHBondContact O-NH1 3.08Å; T71-R128 WeakPolarHBondContact OG1-CA 3.43Å; T71-R128 WeakPolarHBondContact OG1-CD 3.3Å; T71-R128 PolarHBondContact OG1-O 2.81Å | ||
| 72 | V | 93.1 | Very high | 93.9 | Very high | 77 Ų | 77 | 59.4 Ų | 59.4 | 47% | 0.467 | 31% | 0.31 | S | S | . | . | trans | -71.5 | -44.1 | 178.5 | 176.6 | 0 | 0 | 0 | 0 | 111.3 | S70 R128 E129 | S70-V72 WeakPolarHBondContact OG-CG2 3.23Å; V72-R128 HydrophobicContact CG2-CB 3.71Å; V72-E129 HydrophobicContact CG2-CG 3.95Å | ||
| 73 | L | 89.3 | Confident | 93.9 | Very high | 122 Ų | 122 | 60 Ų | 60 | 64% | 0.639 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -82 | 140.2 | 178.4 | -57.8 | 172.3 | 0 | 0 | 0 | 111 | Q65 | Q65-L73 PolarHBondContact NE2-O 3.37Š|
| 74 | D | 86.2 | Confident | 93.7 | Very high | 113 Ų | 113 | 57.1 Ų | 57.1 | 60% | 0.604 | 31% | 0.31 | S | S | * | . | S | Bend | trans | 36.1 | 61.9 | 173 | -54.6 | -28.5 | 0 | 0 | 0 | 115.8 | K62 N76 | K62-D74 IonicContact NZ-OD2 3.24Å; K62-D74 PolarHBondContact NZ-OD2 2.66Å; D74-N76 PolarHBondContact O-N 2.88Å |
| 75 | P | 86.1 | Confident | 93.4 | Very high | 61 Ų | 61 | 54.8 Ų | 54.8 | 40% | 0.396 | 32% | 0.318 | S | S | . | . | trans | -72.6 | 95.4 | -171.1 | 29.6 | -36.6 | 0 | 0 | 0 | 113.3 | Y59 V77 | Y59-P75 HydrophobicContact CD1-CB 4.14Å; Y59-P75 HydrophobicContact CE1-CB 3.93Å; P75-V77 PolarHBondContact O-N 3.29Å | ||
| 76 | N | 92.8 | Very high | 93.2 | Very high | 71 Ų | 71 | 61.4 Ų | 61.4 | 38% | 0.38 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 97.8 | 168.3 | -173.2 | -18.4 | 0 | 0 | 0 | 110 | Y59 L60 D74 | Y59-N76 CarbonylContact C-O 3.55Å; Y59-N76 VanDerWaalsContact CA-O 3.23Å; Y59-N76 WeakPolarHBondContact CA-O 3.01Å; L60-N76 HydrophobicContact CB-CB 4.33Å; L60-N76 PolarHBondContact N-O 3.19Å; D74-N76 PolarHBondContact O-N 2.88Å |
| 77 | V | 94.4 | Very high | 93.1 | Very high | 63 Ų | 63 | 66.2 Ų | 66.2 | 38% | 0.382 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 123.9 | -179.7 | -178.7 | 0 | 0 | 0 | 0 | 110.1 | K57 Y59 P75 | K57-V77 HydrophobicContact CG-CG1 4.2Å; Y59-V77 HydrophobicContact CD1-CG2 3.88Å; Y59-V77 HydrophobicContact CE1-CG2 3.56Å; P75-V77 PolarHBondContact O-N 3.29Å |
| 78 | L | 94.4 | Very high | 93.1 | Very high | 20 Ų | 20 | 61.9 Ų | 61.9 | 11% | 0.105 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | -52.3 | 178.5 | -62.5 | -173.3 | 0 | 0 | 0 | 112.6 | L58 L60 F90 I92 L104 I114 | L58-L78 HydrophobicContact CB-CB 4.49Å; L58-L78 PolarHBondContact O-N 3Å; L60-L78 HydrophobicContact CB-CD1 4.08Å; L60-L78 HydrophobicContact CB-CD2 3.89Å; L60-L78 HydrophobicContact CB-CG 4.04Å; L78-F90 HydrophobicContact CB-CD1 4.32Å; L78-F90 HydrophobicContact CB-CE1 3.81Å; L78-F90 HydrophobicContact CB-CZ 4.14Å; L78-F90 HydrophobicContact CD1-CE1 4.19Å; L78-F90 HydrophobicContact CD2-CE1 4.23Å; L78-F90 HydrophobicContact CD2-CZ 4.23Å; L78-F90 HydrophobicContact CG-CE1 4.31Å; L78-I92 HydrophobicContact CD1-CD1 4.49Å; L78-L104 HydrophobicContact CD2-CD1 3.64Å; L78-L104 HydrophobicContact CD2-CD2 3.71Å; L78-L104 HydrophobicContact CD2-CG 4.23Å; L78-I114 HydrophobicContact CD1-CD1 3.62Å; L78-I114 HydrophobicContact CD1-CG1 3.77Å; L78-I114 HydrophobicContact CD1-CG2 4.09Å |
| 79 | V | 95 | Very high | 93.1 | Very high | 21 Ų | 21 | 64.8 Ų | 64.8 | 13% | 0.127 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 149.5 | -176.7 | 63.3 | 0 | 0 | 0 | 0 | 110.3 | L58 I88 F90 | L58-V79 HydrophobicContact CB-CG1 3.68Å; L58-V79 HydrophobicContact CD1-CG1 3.48Å; L58-V79 VanDerWaalsContact CD1-CG1 3.48Å; L58-V79 HydrophobicContact CG-CG1 4.16Å; L58-V79 PolarHBondContact N-O 2.8Å; V79-I88 HydrophobicContact CG2-CG2 3.51Å; V79-F90 HydrophobicContact CB-CB 4.02Å; V79-F90 HydrophobicContact CB-CD2 4.49Å; V79-F90 HydrophobicContact CB-CG 4.2Å; V79-F90 HydrophobicContact CG1-CB 4.15Å; V79-F90 HydrophobicContact CG1-CG 4.47Å; V79-F90 HydrophobicContact CG2-CB 4.22Å |
| 80 | N | 96.6 | Very high | 93 | Very high | 49 Ų | 49 | 67 Ų | 67 | 26% | 0.262 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 116.2 | 176.7 | -172.2 | -1.5 | 0 | 0 | 0 | 108.9 | N82 | N80-N82 PolarHBondContact O-N 3.09Å |
| 81 | C | 95.9 | Very high | 93 | Very high | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 84.4 | -177.5 | -58.3 | 0 | 0 | 0 | 0 | 109.1 | C44 Y53 Y56 | C44-C81 HydrophobicContact CB-CB 3.52Å; C44-C81 WeakPolarHBondContact CB-SG 3.31Å; C44-C81 WeakPolarHBondContact SG-CB 3.48Å; C44-C81 CovalentContact SG-SG 2.02Å; C44-C81 PolarHBondContact SG-SG 2.81Å; Y53-C81 WeakPolarHBondContact CE1-O 3.22Å; Y53-C81 VanDerWaalsContact OH-C 3.28Å; Y56-C81 PolarHBondContact N-O 2.78Å; Y56-C81 WeakPolarHBondContact O-CA 3.43Å; Y56-C81 VanDerWaalsContact O-CB 3.29Å; Y56-C81 WeakPolarHBondContact O-CB 3.35Å; Y56-C81 PolarHBondContact O-N 3.39Å |
| 82 | N | 94.9 | Very high | 93 | Very high | 69 Ų | 69 | 69.2 Ų | 69.2 | 37% | 0.369 | 38% | 0.379 | S | S | . | . | trans | -130.6 | 17.2 | -171.4 | 71.2 | -14.5 | 0 | 0 | 0 | 114.2 | Y53 N80 L125 | Y53-N82 PolarHBondContact OH-N 3.27Å; N80-N82 PolarHBondContact O-N 3.09Å; N82-L125 HydrophobicContact CB-CD2 4.15Å | ||
| 83 | K | 93.6 | Very high | 93.1 | Very high | 126 Ų | 126 | 70.2 Ų | 70.2 | 55% | 0.548 | 38% | 0.377 | S | S | . | . | trans | -125.1 | 93.5 | -178.6 | -60.1 | -179.1 | -177.2 | 174.1 | 0 | 110.3 | Y53 G85 K86 I88 | Y53-K83 PolarHBondContact OH-N 2.9Å; Y53-K83 PolarHBondContact OH-O 2.76Å; K83-G85 VanDerWaalsContact C-N 3.28Å; K83-G85 PolarHBondContact O-N 2.92Å; K83-K86 PolarHBondContact O-N 3.36Å; K83-K86 VanDerWaalsContact O-O 3.1Å; K83-I88 HydrophobicContact CB-CD1 3.96Å; K83-I88 HydrophobicContact CD-CD1 4.48Å; K83-I88 HydrophobicContact CG-CD1 4.2Å | ||
| 84 | P | 91.2 | Very high | 93.3 | Very high | 59 Ų | 59 | 64.4 Ų | 64.4 | 38% | 0.383 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -33.7 | -174.7 | 21.8 | -33.1 | 0 | 0 | 0 | 114.2 | S46 A47 Y53 K86 | S46-P84 WeakPolarHBondContact CA-O 3.22Å; S46-P84 WeakPolarHBondContact CB-O 3.25Å; A47-P84 PolarHBondContact N-O 2.93Å; Y53-P84 HydrophobicContact CD1-CB 4.06Å; Y53-P84 VanDerWaalsContact CD2-CA 3.5Å; Y53-P84 HydrophobicContact CD2-CB 4.09Å; Y53-P84 HydrophobicContact CG-CB 3.71Å; P84-K86 VanDerWaalsContact C-N 3.34Å; P84-K86 PolarHBondContact O-N 2.91Å |
| 85 | G | 89.3 | Confident | 93.6 | Very high | 71 Ų | 71 | 60.8 Ų | 60.8 | 73% | 0.732 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | 7.7 | -177 | 0 | 0 | 0 | 0 | 0 | 116.5 | K83 | K83-G85 VanDerWaalsContact C-N 3.28Å; K83-G85 PolarHBondContact O-N 2.92Å |
| 86 | K | 91.3 | Very high | 93.9 | Very high | 154 Ų | 154 | 62 Ų | 62 | 67% | 0.67 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -149.1 | 138 | 178.8 | -63.8 | -169.3 | -179.4 | -169.8 | 0 | 112.3 | K83 P84 I88 | K83-K86 PolarHBondContact O-N 3.36Å; K83-K86 VanDerWaalsContact O-O 3.1Å; P84-K86 VanDerWaalsContact C-N 3.34Å; P84-K86 PolarHBondContact O-N 2.91Å; K86-I88 PolarHBondContact O-N 2.03Å |
| 87 | N | 92.9 | Very high | 93.7 | Very high | 103 Ų | 103 | 66.3 Ų | 66.3 | 55% | 0.551 | 34% | 0.342 | S | S | * | . | trans | -58 | 126.7 | 165.3 | -69.7 | -30.2 | 0 | 0 | 0 | 110.3 | P45 S46 | P45-N87 VanDerWaalsContact CA-OD1 3.28Å; P45-N87 WeakPolarHBondContact CA-OD1 3.5Å; S46-N87 PolarHBondContact N-OD1 2.8Å; S46-N87 PolarHBondContact OG-OD1 2.91Å | ||
| 88 | I | 95.5 | Very high | 93.4 | Very high | 30 Ų | 30 | 64.4 Ų | 64.4 | 15% | 0.154 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 117.5 | 173 | -65.8 | 169.3 | 0 | 0 | 0 | 107.6 | I43 C44 V79 K83 K86 | I43-I88 CarbonylContact C-O 3.59Å; I43-I88 WeakPolarHBondContact CA-O 3.39Å; C44-I88 HydrophobicContact CB-CB 4.35Å; C44-I88 PolarHBondContact N-O 3.26Å; C44-I88 PolarHBondContact O-N 3.34Å; V79-I88 HydrophobicContact CG2-CG2 3.51Å; K83-I88 HydrophobicContact CB-CD1 3.96Å; K83-I88 HydrophobicContact CD-CD1 4.48Å; K83-I88 HydrophobicContact CG-CD1 4.2Å; K86-I88 PolarHBondContact O-N 2.03Å |
| 89 | K | 95.6 | Very high | 92.8 | Very high | 120 Ų | 120 | 69.8 Ų | 69.8 | 52% | 0.522 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 132.5 | 177.8 | 170.2 | 171.5 | 154.6 | 155.1 | 0 | 110.1 | D41 I42 I43 T91 | D41-K89 WeakPolarHBondContact OD1-CE 3.2Å; D41-K89 IonicContact OD1-NZ 2.65Å; D41-K89 PolarHBondContact OD1-NZ 2.87Å; D41-K89 VanDerWaalsContact OD2-CE 3.31Å; D41-K89 WeakPolarHBondContact OD2-CE 3.38Å; D41-K89 IonicContact OD2-NZ 2.66Å; D41-K89 PolarHBondContact OD2-NZ 2.89Å; I42-K89 WeakPolarHBondContact O-CA 3.4Å; I43-K89 HydrophobicContact CD1-CD 4.42Å; I43-K89 HydrophobicContact CG1-CB 4.1Å; I43-K89 HydrophobicContact CG1-CG 4.2Å; K89-T91 WeakPolarHBondContact CE-OG1 2.92Å |
| 90 | F | 95.3 | Very high | 92.3 | Very high | 53 Ų | 53 | 72.8 Ų | 72.8 | 23% | 0.232 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 125 | 172 | 179.3 | -110.9 | 0 | 0 | 0 | 109.3 | I42 L78 V79 I92 L104 | I42-F90 PolarHBondContact N-O 2.96Å; I42-F90 PolarHBondContact O-N 3.06Å; L78-F90 HydrophobicContact CB-CD1 4.32Å; L78-F90 HydrophobicContact CB-CE1 3.81Å; L78-F90 HydrophobicContact CB-CZ 4.14Å; L78-F90 HydrophobicContact CD1-CE1 4.19Å; L78-F90 HydrophobicContact CD2-CE1 4.23Å; L78-F90 HydrophobicContact CD2-CZ 4.23Å; L78-F90 HydrophobicContact CG-CE1 4.31Å; V79-F90 HydrophobicContact CB-CB 4.02Å; V79-F90 HydrophobicContact CB-CD2 4.49Å; V79-F90 HydrophobicContact CB-CG 4.2Å; V79-F90 HydrophobicContact CG1-CB 4.15Å; V79-F90 HydrophobicContact CG1-CG 4.47Å; V79-F90 HydrophobicContact CG2-CB 4.22Å; F90-I92 HydrophobicContact CD1-CD1 4.38Å; F90-I92 HydrophobicContact CD1-CG1 3.86Å; F90-I92 HydrophobicContact CE1-CD1 4Å; F90-I92 HydrophobicContact CE1-CG1 3.41Å; F90-I92 VanDerWaalsContact CE1-CG1 3.41Å; F90-I92 HydrophobicContact CZ-CG1 4.32Å; F90-L104 HydrophobicContact CE1-CD1 4.42Å; F90-L104 HydrophobicContact CZ-CD1 4.27Å |
| 91 | T | 95.1 | Very high | 91.3 | Very high | 69 Ų | 69 | 80.4 Ų | 80.4 | 42% | 0.423 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 117.2 | -179.5 | -56 | 0 | 0 | 0 | 0 | 109.8 | K39 L40 D41 K89 | K39-T91 HydrophobicContact CB-CG2 4.48Å; L40-T91 CarbonylContact O-C 3.58Å; L40-T91 WeakPolarHBondContact O-CA 3.25Å; D41-T91 WeakPolarHBondContact OD1-CB 3.34Å; D41-T91 WeakPolarHBondContact OD1-CG2 3.39Å; D41-T91 PolarHBondContact OD1-OG1 2.94Å; K89-T91 WeakPolarHBondContact CE-OG1 2.92Å |
| 92 | I | 94.9 | Very high | 90.4 | Very high | 3 Ų | 3 | 87.1 Ų | 87.1 | 2% | 0.015 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 136.4 | 169.1 | -62.9 | 174.1 | 0 | 0 | 0 | 108 | K39 L40 I42 L78 F90 F94 L104 F106 I114 | K39-I92 CarbonylContact C-O 3.57Å; K39-I92 VanDerWaalsContact CA-O 3.32Å; K39-I92 WeakPolarHBondContact CA-O 3.41Å; L40-I92 HydrophobicContact CB-CB 4.4Å; L40-I92 HydrophobicContact CD2-CD1 4.5Å; L40-I92 PolarHBondContact N-O 3.02Å; L40-I92 PolarHBondContact O-N 2.9Å; I42-I92 HydrophobicContact CD1-CD1 3.92Å; L78-I92 HydrophobicContact CD1-CD1 4.49Å; F90-I92 HydrophobicContact CD1-CD1 4.38Å; F90-I92 HydrophobicContact CD1-CG1 3.86Å; F90-I92 HydrophobicContact CE1-CD1 4Å; F90-I92 HydrophobicContact CE1-CG1 3.41Å; F90-I92 VanDerWaalsContact CE1-CG1 3.41Å; F90-I92 HydrophobicContact CZ-CG1 4.32Å; I92-F94 HydrophobicContact CG2-CD2 4.49Å; I92-F94 HydrophobicContact CG2-CE1 4.21Å; I92-F94 HydrophobicContact CG2-CE2 4.15Å; I92-F94 HydrophobicContact CG2-CZ 3.99Å; I92-L104 HydrophobicContact CG1-CD1 4.3Å; I92-F106 HydrophobicContact CG2-CE2 3.55Å; I92-F106 HydrophobicContact CG2-CZ 3.6Å; I92-I114 HydrophobicContact CD1-CD1 3.45Å; I92-I114 VanDerWaalsContact CD1-CD1 3.45Å |
| 93 | K | 94.1 | Very high | 89.8 | Confident | 97 Ų | 97 | 85 Ų | 85 | 42% | 0.422 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 125.5 | 165.7 | -177.5 | -178.1 | 166.9 | -142.7 | 0 | 108.3 | D38 K39 Q95 | D38-K93 WeakPolarHBondContact O-CA 3.11Å; K39-K93 HydrophobicContact CG-CG 4.47Å; K93-Q95 PolarHBondContact O-N 3.29Å; K93-Q95 VanDerWaalsContact O-N 3.08Å |
| 94 | F | 94.8 | Very high | 89.7 | Confident | 0 Ų | 0 | 80.2 Ų | 80.2 | 0% | 0 | 42% | 0.417 | C | S | . | . | trans | -78.9 | 93 | 179.2 | -65.9 | -82.6 | 0 | 0 | 0 | 109.1 | L12 P34 D35 G37 D38 L40 I92 F106 M142 V144 | L12-F94 HydrophobicContact CD1-CD2 4.36Å; L12-F94 HydrophobicContact CD1-CE2 3.87Å; P34-F94 HydrophobicContact CB-CD1 3.96Å; P34-F94 HydrophobicContact CB-CD2 3.58Å; P34-F94 HydrophobicContact CB-CE1 3.82Å; P34-F94 HydrophobicContact CB-CE2 3.43Å; P34-F94 VanDerWaalsContact CB-CE2 3.43Å; P34-F94 HydrophobicContact CB-CG 3.85Å; P34-F94 HydrophobicContact CB-CZ 3.56Å; P34-F94 HydrophobicContact CG-CD1 3.87Å; P34-F94 HydrophobicContact CG-CD2 4.35Å; P34-F94 HydrophobicContact CG-CE1 3.5Å; P34-F94 VanDerWaalsContact CG-CE1 3.5Å; P34-F94 HydrophobicContact CG-CE2 4.02Å; P34-F94 HydrophobicContact CG-CG 4.29Å; P34-F94 HydrophobicContact CG-CZ 3.58Å; D35-F94 WeakPolarHBondContact O-CB 3.49Å; G37-F94 PolarHBondContact N-O 3.08Å; D38-F94 HydrophobicContact CB-CD2 4Å; D38-F94 PolarHBondContact O-N 3.11Å; L40-F94 HydrophobicContact CB-CE2 3.73Å; L40-F94 HydrophobicContact CB-CZ 4.29Å; L40-F94 HydrophobicContact CD2-CE2 4.34Å; L40-F94 HydrophobicContact CD2-CZ 4.1Å; I92-F94 HydrophobicContact CG2-CD2 4.49Å; I92-F94 HydrophobicContact CG2-CE1 4.21Å; I92-F94 HydrophobicContact CG2-CE2 4.15Å; I92-F94 HydrophobicContact CG2-CZ 3.99Å; F94-F106 HydrophobicContact CD1-CB 4.16Å; F94-F106 AromaticContact CD1-CD1 3.88Å; F94-F106 HydrophobicContact CD1-CD1 3.88Å; F94-F106 HydrophobicContact CD1-CD2 4.01Å; F94-F106 HydrophobicContact CD1-CE1 4.25Å; F94-F106 HydrophobicContact CD1-CE2 4.33Å; F94-F106 AromaticContact CD1-CG 3.74Å; F94-F106 HydrophobicContact CD1-CG 3.74Å; F94-F106 HydrophobicContact CD1-CZ 4.45Å; F94-F106 HydrophobicContact CE1-CD1 4.1Å; F94-F106 HydrophobicContact CE1-CE1 4.08Å; F94-F106 HydrophobicContact CE1-CG 4.39Å; F94-F106 HydrophobicContact CE1-CZ 4.33Å; F94-M142 HydrophobicContact CE1-CB 4.38Å; F94-M142 HydrophobicContact CE1-CE 4.33Å; F94-M142 HydrophobicContact CE1-SD 3.82Å; F94-M142 HydrophobicContact CZ-SD 3.71Å; F94-V144 HydrophobicContact CD1-CG2 3.94Å; F94-V144 HydrophobicContact CE1-CG2 4.14Å | ||
| 95 | Q | 93.2 | Very high | 89.8 | Confident | 38 Ų | 38 | 82.1 Ų | 82.1 | 18% | 0.178 | 42% | 0.421 | C | S | . | . | trans | -132.9 | 142.9 | -178.5 | 64.3 | -172.2 | 12.3 | 0 | 0 | 110.5 | K93 F97 S98 E105 F106 | K93-Q95 PolarHBondContact O-N 3.29Å; K93-Q95 VanDerWaalsContact O-N 3.08Å; Q95-F97 VanDerWaalsContact C-N 3.35Å; Q95-F97 WeakPolarHBondContact CG-O 3.42Å; Q95-S98 PolarHBondContact NE2-OG 2.91Å; Q95-E105 WeakPolarHBondContact O-CA 3.32Å; Q95-F106 PolarHBondContact O-N 3.4Å | ||
| 96 | E | 91.1 | Very high | 90.1 | Very high | 85 Ų | 85 | 78.7 Ų | 78.7 | 40% | 0.397 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -72.3 | -29.8 | -177.9 | -64.6 | -175.5 | 164.2 | 0 | 0 | 112.8 | I36 F106 | I36-E96 HydrophobicContact CD1-CG 4.13Å; I36-E96 HydrophobicContact CG1-CG 4.47Å; I36-E96 HydrophobicContact CG2-CG 4.21Å; E96-F106 WeakPolarHBondContact CA-O 3.28Å; E96-F106 WeakPolarHBondContact CG-O 3.41Å |
| 97 | F | 89 | Confident | 90.2 | Very high | 162 Ų | 162 | 77.7 Ų | 77.7 | 71% | 0.711 | 38% | 0.382 | S | S | * | . | S | Bend | trans | -126.1 | 130.6 | 179 | -58 | -73.6 | 0 | 0 | 0 | 110 | Q95 | Q95-F97 VanDerWaalsContact C-N 3.35Å; Q95-F97 WeakPolarHBondContact CG-O 3.42Å |
| 98 | S | 86.9 | Confident | 90.3 | Very high | 24 Ų | 24 | 77.6 Ų | 77.6 | 17% | 0.168 | 37% | 0.374 | C | S | . | . | trans | -102 | 129.2 | 174.6 | -111.1 | 0 | 0 | 0 | 0 | 111.3 | Q95 N100 L104 E105 | Q95-S98 PolarHBondContact NE2-OG 2.91Å; S98-N100 WeakPolarHBondContact CB-O 3.43Å; S98-N100 PolarHBondContact O-N 2.81Å; S98-L104 PolarHBondContact OG-O 3.28Å; S98-E105 PolarHBondContact N-OE1 3.13Å; S98-E105 VanDerWaalsContact N-OE1 3.08Å | ||
| 99 | P | 83.4 | Confident | 90.2 | Very high | 133 Ų | 133 | 81.7 Ų | 81.7 | 86% | 0.864 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -70.5 | -7.4 | 173 | 30.5 | -35.3 | 0 | 0 | 0 | 112.9 | ||
| 100 | N | 83.3 | Confident | 90.2 | Very high | 83 Ų | 83 | 78.8 Ų | 78.8 | 44% | 0.444 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -101.3 | 128.5 | 170.9 | 177.8 | 6.4 | 0 | 0 | 0 | 109.1 | S98 M102 G103 | S98-N100 WeakPolarHBondContact CB-O 3.43Å; S98-N100 PolarHBondContact O-N 2.81Å; N100-M102 PolarHBondContact O-N 3.15Å; N100-M102 PolarHBondContact OD1-N 3.31Å; N100-G103 WeakPolarHBondContact O-CA 3.25Å; N100-G103 PolarHBondContact O-N 2.87Å |
| 101 | Y | 76.9 | Confident | 90.3 | Very high | 209 Ų | 209 | 78.8 Ų | 78.8 | 82% | 0.82 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -18.8 | 176.2 | 72.6 | -78.6 | 0 | 0 | 0 | 114.2 | ||
| 102 | M | 75.9 | Confident | 90.4 | Very high | 141 Ų | 141 | 77.3 Ų | 77.3 | 70% | 0.695 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.5 | 12.6 | 169 | -69.6 | -75.9 | 174.4 | 0 | 0 | 112.1 | N100 | N100-M102 PolarHBondContact O-N 3.15Å; N100-M102 PolarHBondContact OD1-N 3.31Å |
| 103 | G | 83.6 | Confident | 90.5 | Very high | 25 Ų | 25 | 78 Ų | 78 | 26% | 0.258 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -75.2 | 158.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | N100 | N100-G103 WeakPolarHBondContact O-CA 3.25Å; N100-G103 PolarHBondContact O-N 2.87Å |
| 104 | L | 90.9 | Very high | 90.7 | Very high | 25 Ų | 25 | 73.4 Ų | 73.4 | 13% | 0.131 | 36% | 0.36 | C | S | . | . | trans | -81.1 | 143.1 | 174.8 | -52.3 | -176.6 | 0 | 0 | 0 | 110 | L60 L78 F90 I92 S98 F106 | L60-L104 HydrophobicContact CD2-CD2 3.96Å; L78-L104 HydrophobicContact CD2-CD1 3.64Å; L78-L104 HydrophobicContact CD2-CD2 3.71Å; L78-L104 HydrophobicContact CD2-CG 4.23Å; F90-L104 HydrophobicContact CE1-CD1 4.42Å; F90-L104 HydrophobicContact CZ-CD1 4.27Å; I92-L104 HydrophobicContact CG1-CD1 4.3Å; S98-L104 PolarHBondContact OG-O 3.28Å; L104-F106 HydrophobicContact CB-CD2 4.32Å; L104-F106 HydrophobicContact CB-CE2 3.45Å; L104-F106 VanDerWaalsContact CB-CE2 3.45Å; L104-F106 HydrophobicContact CB-CZ 3.79Å; L104-F106 HydrophobicContact CD1-CE2 4.11Å; L104-F106 HydrophobicContact CD1-CZ 3.82Å; L104-F106 HydrophobicContact CG-CE2 4.46Å; L104-F106 HydrophobicContact CG-CZ 4.46Å | ||
| 105 | E | 93.6 | Very high | 90.8 | Very high | 99 Ų | 99 | 73.4 Ų | 73.4 | 46% | 0.463 | 36% | 0.36 | S | S | . | . | trans | -128.3 | 128.5 | 178 | -65.5 | -170.1 | 151.8 | 0 | 0 | 109.7 | Q95 S98 Y112 | Q95-E105 WeakPolarHBondContact O-CA 3.32Å; S98-E105 PolarHBondContact N-OE1 3.13Å; S98-E105 VanDerWaalsContact N-OE1 3.08Å; E105-Y112 PolarHBondContact O-OH 2.86Å | ||
| 106 | F | 95 | Very high | 91 | Very high | 0 Ų | 0 | 71.6 Ų | 71.6 | 0% | 0 | 35% | 0.352 | C | S | . | . | trans | -124.9 | 124.2 | -172.6 | -63 | -80.8 | 0 | 0 | 0 | 110.3 | I36 I92 F94 Q95 E96 L104 Y112 M142 V144 | I36-F106 HydrophobicContact CD1-CB 4.42Å; I36-F106 VanDerWaalsContact CD1-O 3.26Å; I36-F106 WeakPolarHBondContact CD1-O 3.43Å; I92-F106 HydrophobicContact CG2-CE2 3.55Å; I92-F106 HydrophobicContact CG2-CZ 3.6Å; F94-F106 HydrophobicContact CD1-CB 4.16Å; F94-F106 AromaticContact CD1-CD1 3.88Å; F94-F106 HydrophobicContact CD1-CD1 3.88Å; F94-F106 HydrophobicContact CD1-CD2 4.01Å; F94-F106 HydrophobicContact CD1-CE1 4.25Å; F94-F106 HydrophobicContact CD1-CE2 4.33Å; F94-F106 AromaticContact CD1-CG 3.74Å; F94-F106 HydrophobicContact CD1-CG 3.74Å; F94-F106 HydrophobicContact CD1-CZ 4.45Å; F94-F106 HydrophobicContact CE1-CD1 4.1Å; F94-F106 HydrophobicContact CE1-CE1 4.08Å; F94-F106 HydrophobicContact CE1-CG 4.39Å; F94-F106 HydrophobicContact CE1-CZ 4.33Å; Q95-F106 PolarHBondContact O-N 3.4Å; E96-F106 WeakPolarHBondContact CA-O 3.28Å; E96-F106 WeakPolarHBondContact CG-O 3.41Å; L104-F106 HydrophobicContact CB-CD2 4.32Å; L104-F106 HydrophobicContact CB-CE2 3.45Å; L104-F106 VanDerWaalsContact CB-CE2 3.45Å; L104-F106 HydrophobicContact CB-CZ 3.79Å; L104-F106 HydrophobicContact CD1-CE2 4.11Å; L104-F106 HydrophobicContact CD1-CZ 3.82Å; L104-F106 HydrophobicContact CG-CE2 4.46Å; L104-F106 HydrophobicContact CG-CZ 4.46Å; F106-Y112 WeakPolarHBondContact CA-OH 3.48Å; F106-Y112 HydrophobicContact CB-CE2 4.36Å; F106-Y112 AromaticContact CD1-CD1 3.91Å; F106-Y112 HydrophobicContact CD1-CD1 3.91Å; F106-Y112 AromaticContact CD1-CD2 3.78Å; F106-Y112 HydrophobicContact CD1-CD2 3.78Å; F106-Y112 AromaticContact CD1-CE1 3.98Å; F106-Y112 HydrophobicContact CD1-CE1 3.98Å; F106-Y112 AromaticContact CD1-CE2 3.85Å; F106-Y112 HydrophobicContact CD1-CE2 3.85Å; F106-Y112 AromaticContact CD1-CG 3.81Å; F106-Y112 HydrophobicContact CD1-CG 3.81Å; F106-Y112 AromaticContact CD1-CZ 3.96Å; F106-Y112 HydrophobicContact CE1-CD1 4Å; F106-Y112 HydrophobicContact CE1-CD2 4.4Å; F106-Y112 HydrophobicContact CE1-CE1 4.41Å; F106-Y112 AromaticContact CE1-CG 3.99Å; F106-Y112 HydrophobicContact CE1-CG 3.99Å; F106-M142 HydrophobicContact CE1-CE 3.75Å; F106-M142 HydrophobicContact CZ-CE 4.33Å; F106-V144 HydrophobicContact CB-CG1 4.35Å; F106-V144 HydrophobicContact CB-CG2 4.41Å; F106-V144 HydrophobicContact CD1-CG2 4.22Å | ||
| 107 | K | 94.3 | Very high | 91.3 | Very high | 133 Ų | 133 | 67.6 Ų | 67.6 | 58% | 0.578 | 33% | 0.333 | S | S | * | . | trans | -101.8 | 142.7 | 177.2 | -63.5 | -176 | 179.1 | -176.7 | 0 | 110.3 | V110 Y112 | K107-V110 HydrophobicContact CB-CB 4.47Å; K107-V110 HydrophobicContact CB-CG2 3.92Å; K107-V110 PolarHBondContact O-N 2.77Å; K107-Y112 PolarHBondContact N-OH 3.08Å | ||
| 108 | R | 94.6 | Very high | 91.7 | Very high | 101 Ų | 101 | 59.9 Ų | 59.9 | 38% | 0.381 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | 145.8 | 171.2 | -177.3 | 170.8 | -65.6 | -86.2 | 0.9 | 110.5 | D35 I36 V110 V144 G145 | D35-R108 IonicContact OD1-CZ 3.66Å; D35-R108 VanDerWaalsContact OD1-CZ 3.24Å; D35-R108 IonicContact OD1-NH1 2.81Å; D35-R108 PolarHBondContact OD1-NH1 3.24Å; D35-R108 IonicContact OD1-NH2 3.61Å; D35-R108 PolarHBondContact OD1-NH2 2.86Å; I36-R108 HydrophobicContact CG1-CB 4.38Å; R108-V110 VanDerWaalsContact C-N 3.26Å; R108-V110 PolarHBondContact O-N 2.8Å; R108-V144 CarbonylContact C-O 3.59Å; R108-G145 PolarHBondContact NH1-O 2.84Å |
| 109 | N | 94.1 | Very high | 92.1 | Very high | 116 Ų | 116 | 62 Ų | 62 | 62% | 0.62 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.2 | 23.8 | -177.6 | -57.7 | -32.2 | 0 | 0 | 0 | 115.1 | V144 | N109-V144 PolarHBondContact N-O 2.82Š|
| 110 | V | 95.6 | Very high | 92.6 | Very high | 59 Ų | 59 | 56.3 Ų | 56.3 | 36% | 0.358 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 141.2 | 174.6 | -179.5 | 0 | 0 | 0 | 0 | 110.5 | K107 R108 Y112 V144 | K107-V110 HydrophobicContact CB-CB 4.47Å; K107-V110 HydrophobicContact CB-CG2 3.92Å; K107-V110 PolarHBondContact O-N 2.77Å; R108-V110 VanDerWaalsContact C-N 3.26Å; R108-V110 PolarHBondContact O-N 2.8Å; V110-Y112 HydrophobicContact CB-CD2 4.38Å; V110-Y112 HydrophobicContact CB-CE2 3.64Å; V110-Y112 HydrophobicContact CG1-CD2 4.11Å; V110-Y112 HydrophobicContact CG1-CE2 3.55Å; V110-V144 PolarHBondContact O-N 3.5Å; V110-V144 VanDerWaalsContact O-N 3.13Å |
| 111 | N | 96.3 | Very high | 93.2 | Very high | 52 Ų | 52 | 55.1 Ų | 55.1 | 28% | 0.278 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 126.1 | 177.4 | -64.6 | -6.9 | 0 | 0 | 0 | 110.2 | Y113 M142 Q146 | N111-Y113 HydrophobicContact CB-CE2 4.01Å; N111-Y113 WeakPolarHBondContact CB-OH 3.35Å; N111-Y113 WeakPolarHBondContact O-CE2 3.29Å; N111-M142 WeakPolarHBondContact CA-O 3.28Å; N111-Q146 PolarHBondContact OD1-NE2 2.94Å |
| 112 | Y | 97.3 | Very high | 94 | Very high | 38 Ų | 38 | 49.4 Ų | 49.4 | 15% | 0.149 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 147 | 177.9 | -66 | -97 | 0 | 0 | 0 | 110.3 | L60 E105 F106 K107 V110 M142 V144 | L60-Y112 HydrophobicContact CD1-CD1 4.42Å; E105-Y112 PolarHBondContact O-OH 2.86Å; F106-Y112 WeakPolarHBondContact CA-OH 3.48Å; F106-Y112 HydrophobicContact CB-CE2 4.36Å; F106-Y112 AromaticContact CD1-CD1 3.91Å; F106-Y112 HydrophobicContact CD1-CD1 3.91Å; F106-Y112 AromaticContact CD1-CD2 3.78Å; F106-Y112 HydrophobicContact CD1-CD2 3.78Å; F106-Y112 AromaticContact CD1-CE1 3.98Å; F106-Y112 HydrophobicContact CD1-CE1 3.98Å; F106-Y112 AromaticContact CD1-CE2 3.85Å; F106-Y112 HydrophobicContact CD1-CE2 3.85Å; F106-Y112 AromaticContact CD1-CG 3.81Å; F106-Y112 HydrophobicContact CD1-CG 3.81Å; F106-Y112 AromaticContact CD1-CZ 3.96Å; F106-Y112 HydrophobicContact CE1-CD1 4Å; F106-Y112 HydrophobicContact CE1-CD2 4.4Å; F106-Y112 HydrophobicContact CE1-CE1 4.41Å; F106-Y112 AromaticContact CE1-CG 3.99Å; F106-Y112 HydrophobicContact CE1-CG 3.99Å; K107-Y112 PolarHBondContact N-OH 3.08Å; V110-Y112 HydrophobicContact CB-CD2 4.38Å; V110-Y112 HydrophobicContact CB-CE2 3.64Å; V110-Y112 HydrophobicContact CG1-CD2 4.11Å; V110-Y112 HydrophobicContact CG1-CE2 3.55Å; Y112-M142 PolarHBondContact N-O 2.84Å; Y112-M142 PolarHBondContact O-N 3.35Å; Y112-V144 HydrophobicContact CD2-CG2 3.6Å; Y112-V144 HydrophobicContact CE2-CB 4.48Å; Y112-V144 HydrophobicContact CE2-CG2 3.91Å |
| 113 | Y | 97.4 | Very high | 95 | Very high | 19 Ų | 19 | 49.8 Ų | 49.8 | 8% | 0.075 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 126.7 | -171.4 | -54.8 | -93.5 | 0 | 0 | 0 | 110.6 | V61 R63 A66 N111 V140 I141 | V61-Y113 PolarHBondContact N-O 3.06Å; R63-Y113 HydrophobicContact CB-CD2 4.33Å; R63-Y113 HydrophobicContact CB-CE2 3.71Å; R63-Y113 HydrophobicContact CG-CE2 4.13Å; A66-Y113 HydrophobicContact CB-CD1 3.89Å; A66-Y113 HydrophobicContact CB-CG 3.9Å; N111-Y113 HydrophobicContact CB-CE2 4.01Å; N111-Y113 WeakPolarHBondContact CB-OH 3.35Å; N111-Y113 WeakPolarHBondContact O-CE2 3.29Å; Y113-V140 WeakPolarHBondContact CA-O 3.44Å; Y113-I141 HydrophobicContact CD1-CB 4.47Å; Y113-I141 HydrophobicContact CD1-CG1 3.93Å; Y113-I141 HydrophobicContact CD1-CG2 4.28Å; Y113-I141 HydrophobicContact CE1-CB 4.46Å; Y113-I141 HydrophobicContact CE1-CD1 4.48Å; Y113-I141 HydrophobicContact CE1-CG1 4.05Å; Y113-I141 HydrophobicContact CE1-CG2 3.85Å |
| 114 | I | 97.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 131.8 | 171.6 | -61 | 175.1 | 0 | 0 | 0 | 108.6 | W17 I42 L58 Y59 L60 L78 I92 K139 V140 M142 | W17-I114 HydrophobicContact CH2-CG2 4.3Å; W17-I114 HydrophobicContact CZ3-CG2 4.03Å; I42-I114 HydrophobicContact CD1-CD1 3.82Å; L58-I114 HydrophobicContact CD2-CG2 3.6Å; Y59-I114 VanDerWaalsContact O-CA 3.29Å; Y59-I114 WeakPolarHBondContact O-CA 3.49Å; L60-I114 HydrophobicContact CD1-CG1 4.06Å; L78-I114 HydrophobicContact CD1-CD1 3.62Å; L78-I114 HydrophobicContact CD1-CG1 3.77Å; L78-I114 HydrophobicContact CD1-CG2 4.09Å; I92-I114 HydrophobicContact CD1-CD1 3.45Å; I92-I114 VanDerWaalsContact CD1-CD1 3.45Å; I114-K139 CarbonylContact O-C 3.6Å; I114-K139 WeakPolarHBondContact O-CA 3.44Å; I114-V140 HydrophobicContact CB-CB 4.33Å; I114-V140 PolarHBondContact N-O 2.97Å; I114-V140 PolarHBondContact O-N 3.48Å; I114-M142 HydrophobicContact CD1-CE 3.67Å; I114-M142 HydrophobicContact CD1-SD 3.77Å; I114-M142 HydrophobicContact CG1-CE 3.85Å; I114-M142 HydrophobicContact CG1-SD 4.39Å |
| 115 | T | 97.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 172.1 | 175.5 | -164.3 | 0 | 0 | 0 | 0 | 112.6 | Y59 V61 C133 M138 | Y59-T115 PolarHBondContact N-O 3.35Å; Y59-T115 PolarHBondContact O-N 3.3Å; Y59-T115 VanDerWaalsContact O-N 3.08Å; V61-T115 HydrophobicContact CG1-CG2 4.23Å; V61-T115 HydrophobicContact CG2-CG2 3.96Å; T115-C133 VanDerWaalsContact OG1-CB 3.25Å; T115-C133 WeakPolarHBondContact OG1-CB 3.46Å; T115-C133 PolarHBondContact OG1-SG 2.87Å; T115-M138 PolarHBondContact OG1-O 3.22Å |
| 116 | S | 97.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 24% | 0.237 | C | C | . | . | trans | -131.5 | 128.2 | 173.2 | -170.5 | 0 | 0 | 0 | 0 | 110.5 | K57 S118 V132 C133 | K57-S116 PolarHBondContact N-OG 2.87Å; K57-S116 WeakPolarHBondContact O-CA 3.41Å; K57-S116 VanDerWaalsContact O-CB 3.24Å; K57-S116 WeakPolarHBondContact O-CB 3.3Å; K57-S116 PolarHBondContact O-OG 2.89Å; S116-S118 PolarHBondContact OG-N 2.84Å; S116-S118 PolarHBondContact OG-OG 3.25Å; S116-V132 WeakPolarHBondContact O-CG2 3.42Å; S116-C133 WeakPolarHBondContact O-CB 3.28Å; S116-C133 PolarHBondContact O-N 3.21Å; S116-C133 VanDerWaalsContact O-N 3.12Å | ||
| 117 | T | 97.3 | Very high | 96 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 26% | 0.255 | C | S | . | . | trans | -93.2 | 3.4 | 171.9 | 45.8 | 0 | 0 | 0 | 0 | 112.6 | C69 T71 N127 R128 G131 | C69-T117 WeakPolarHBondContact O-CG2 3.36Å; T71-T117 HydrophobicContact CG2-CG2 3.83Å; T71-T117 PolarHBondContact OG1-OG1 3.45Å; T117-N127 CarbonylContact C-O 3.57Å; T117-N127 VanDerWaalsContact CB-O 3.3Å; T117-N127 WeakPolarHBondContact CB-O 3.49Å; T117-N127 VanDerWaalsContact O-CB 3.28Å; T117-N127 WeakPolarHBondContact O-CB 3.35Å; T117-N127 PolarHBondContact OG1-O 2.92Å; T117-R128 WeakPolarHBondContact OG1-CA 3.36Å; T117-G131 VanDerWaalsContact O-CA 3.32Å; T117-G131 WeakPolarHBondContact O-CA 3.35Å | ||
| 118 | S | 97.4 | Very high | 96 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 24% | 0.242 | C | C | . | . | trans | -68 | 154.1 | 170.1 | -43 | 0 | 0 | 0 | 0 | 110.8 | K57 S116 G124 L125 G131 V132 | K57-S118 PolarHBondContact N-OG 3.25Å; S116-S118 PolarHBondContact OG-N 2.84Å; S116-S118 PolarHBondContact OG-OG 3.25Å; S118-G124 VanDerWaalsContact CA-O 3.26Å; S118-G124 WeakPolarHBondContact CA-O 3.34Å; S118-G124 WeakPolarHBondContact CB-O 3.32Å; S118-L125 PolarHBondContact OG-O 3.27Å; S118-G131 CarbonylContact O-C 3.56Å; S118-G131 VanDerWaalsContact O-CA 3.28Å; S118-G131 WeakPolarHBondContact O-CA 3.44Å; S118-V132 PolarHBondContact O-N 2.98Å | ||
| 119 | N | 95.7 | Very high | 96.1 | Very high | 70 Ų | 70 | 49.8 Ų | 49.8 | 37% | 0.374 | 25% | 0.251 | S | S | . | . | trans | -90.8 | -9.5 | 178.3 | 67 | -14.4 | 0 | 0 | 0 | 114 | T121 G124 | N119-T121 PolarHBondContact ND2-OG1 3.12Å; N119-T121 PolarHBondContact OD1-N 3.12Å; N119-T121 PolarHBondContact OD1-O 3.31Å; N119-T121 PolarHBondContact OD1-OG1 3.2Å; N119-G124 WeakPolarHBondContact OD1-CA 3.23Å | ||
| 120 | G | 94.1 | Very high | 96.2 | Very high | 13 Ų | 13 | 44.7 Ų | 44.7 | 13% | 0.134 | 23% | 0.227 | C | C | . | . | B | Isolated β-bridge | trans | 99.4 | -10.7 | -173 | 0 | 0 | 0 | 0 | 0 | 114.5 | F55 | F55-G120 PolarHBondContact N-O 2.85Å; F55-G120 WeakPolarHBondContact O-CA 3.39Å |
| 121 | T | 94.8 | Very high | 96.2 | Very high | 57 Ų | 57 | 42.8 Ų | 42.8 | 35% | 0.35 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -98.3 | 160 | 175.8 | 84.2 | 0 | 0 | 0 | 0 | 111.2 | N119 E123 G124 L125 | N119-T121 PolarHBondContact ND2-OG1 3.12Å; N119-T121 PolarHBondContact OD1-N 3.12Å; N119-T121 PolarHBondContact OD1-O 3.31Å; N119-T121 PolarHBondContact OD1-OG1 3.2Å; T121-E123 VanDerWaalsContact C-N 3.31Å; T121-E123 WeakPolarHBondContact CB-OE2 3.41Å; T121-E123 PolarHBondContact O-N 3.04Å; T121-E123 PolarHBondContact OG1-OE2 3.21Å; T121-G124 PolarHBondContact O-N 3.19Å; T121-G124 PolarHBondContact OG1-N 3.31Å; T121-L125 PolarHBondContact O-N 3.47Å; T121-L125 VanDerWaalsContact O-N 3.16Å |
| 122 | I | 94.4 | Very high | 96.2 | Very high | 89 Ų | 89 | 40.4 Ų | 40.4 | 46% | 0.456 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -64.8 | -34.8 | -178.7 | -178.1 | 59.3 | 0 | 0 | 0 | 112.2 | F55 L125 | F55-I122 HydrophobicContact CD1-CB 4.41Å; F55-I122 HydrophobicContact CD1-CD1 3.72Å; F55-I122 HydrophobicContact CD2-CB 4.04Å; F55-I122 HydrophobicContact CE1-CB 4.46Å; F55-I122 HydrophobicContact CE1-CD1 3.76Å; F55-I122 HydrophobicContact CE2-CB 4.08Å; F55-I122 HydrophobicContact CG-CB 4.2Å; F55-I122 HydrophobicContact CG-CD1 4.29Å; F55-I122 HydrophobicContact CZ-CB 4.29Å; F55-I122 HydrophobicContact CZ-CD1 4.35Å; I122-L125 HydrophobicContact CD1-CD2 4.21Å; I122-L125 WeakPolarHBondContact O-CB 3.32Å; I122-L125 PolarHBondContact O-N 3.09Å |
| 123 | E | 95.4 | Very high | 96.2 | Very high | 149 Ų | 149 | 38.8 Ų | 38.8 | 70% | 0.696 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -40.3 | 178.7 | -50.7 | 73.6 | -160.4 | 0 | 0 | 111.2 | T121 L125 | T121-E123 VanDerWaalsContact C-N 3.31Å; T121-E123 WeakPolarHBondContact CB-OE2 3.41Å; T121-E123 PolarHBondContact O-N 3.04Å; T121-E123 PolarHBondContact OG1-OE2 3.21Å; E123-L125 VanDerWaalsContact C-N 3.33Å |
| 124 | G | 95.1 | Very high | 96.1 | Very high | 3 Ų | 3 | 44.4 Ų | 44.4 | 3% | 0.031 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | 11.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | S118 N119 T121 E126 N127 | S118-G124 VanDerWaalsContact CA-O 3.26Å; S118-G124 WeakPolarHBondContact CA-O 3.34Å; S118-G124 WeakPolarHBondContact CB-O 3.32Å; N119-G124 WeakPolarHBondContact OD1-CA 3.23Å; T121-G124 PolarHBondContact O-N 3.19Å; T121-G124 PolarHBondContact OG1-N 3.31Å; G124-E126 VanDerWaalsContact C-N 3.3Å; G124-E126 PolarHBondContact O-N 3.01Å; G124-N127 WeakPolarHBondContact CA-ND2 3.24Å; G124-N127 VanDerWaalsContact O-CB 3.32Å; G124-N127 WeakPolarHBondContact O-CB 3.37Å; G124-N127 PolarHBondContact O-N 3.08Å; G124-N127 PolarHBondContact O-ND2 2.8Å |
| 125 | L | 96.1 | Very high | 96 | Very high | 13 Ų | 13 | 48.7 Ų | 48.7 | 7% | 0.068 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -40.9 | 177.6 | 176.1 | 58.9 | 0 | 0 | 0 | 112.2 | F55 Y56 K57 N82 S118 T121 I122 E123 | F55-L125 HydrophobicContact CB-CB 4.46Å; F55-L125 HydrophobicContact CB-CD1 4.22Å; Y56-L125 VanDerWaalsContact C-CD1 3.41Å; K57-L125 HydrophobicContact CB-CD1 4.01Å; N82-L125 HydrophobicContact CB-CD2 4.15Å; S118-L125 PolarHBondContact OG-O 3.27Å; T121-L125 PolarHBondContact O-N 3.47Å; T121-L125 VanDerWaalsContact O-N 3.16Å; I122-L125 HydrophobicContact CD1-CD2 4.21Å; I122-L125 WeakPolarHBondContact O-CB 3.32Å; I122-L125 PolarHBondContact O-N 3.09Å; E123-L125 VanDerWaalsContact C-N 3.33Å |
| 126 | E | 96.2 | Very high | 95.9 | Very high | 92 Ų | 92 | 54.9 Ų | 54.9 | 43% | 0.43 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | 6.9 | -178.2 | -67.5 | -64.5 | 152.6 | 0 | 0 | 114.1 | K57 G124 R128 | K57-E126 WeakPolarHBondContact CD-OE1 3.19Å; K57-E126 IonicContact NZ-OE1 2.75Å; K57-E126 PolarHBondContact NZ-OE1 2.77Å; K57-E126 IonicContact NZ-OE2 3.31Å; K57-E126 PolarHBondContact NZ-OE2 3.12Å; G124-E126 VanDerWaalsContact C-N 3.3Å; G124-E126 PolarHBondContact O-N 3.01Å; E126-R128 PolarHBondContact O-N 2.8Å |
| 127 | N | 96.6 | Very high | 95.8 | Very high | 69 Ų | 69 | 55.2 Ų | 55.2 | 37% | 0.369 | 28% | 0.281 | S | S | . | . | trans | -58.2 | 129.3 | 176.6 | -73.8 | -9.7 | 0 | 0 | 0 | 110.9 | T117 G124 | T117-N127 CarbonylContact C-O 3.57Å; T117-N127 VanDerWaalsContact CB-O 3.3Å; T117-N127 WeakPolarHBondContact CB-O 3.49Å; T117-N127 VanDerWaalsContact O-CB 3.28Å; T117-N127 WeakPolarHBondContact O-CB 3.35Å; T117-N127 PolarHBondContact OG1-O 2.92Å; G124-N127 WeakPolarHBondContact CA-ND2 3.24Å; G124-N127 VanDerWaalsContact O-CB 3.32Å; G124-N127 WeakPolarHBondContact O-CB 3.37Å; G124-N127 PolarHBondContact O-N 3.08Å; G124-N127 PolarHBondContact O-ND2 2.8Å | ||
| 128 | R | 95.8 | Very high | 95.8 | Very high | 81 Ų | 81 | 55.2 Ų | 55.2 | 31% | 0.306 | 28% | 0.281 | S | S | . | . | trans | -99.4 | -4.7 | -178.4 | -61.5 | -54 | -167 | 88.7 | 8.8 | 114.7 | Y59 S70 T71 V72 T117 E126 | Y59-R128 PolarHBondContact OH-NE 3.26Å; S70-R128 CarbonylContact C-O 3.42Å; S70-R128 WeakPolarHBondContact CA-O 3.47Å; T71-R128 PolarHBondContact N-O 2.94Å; T71-R128 PolarHBondContact O-NH1 3.08Å; T71-R128 WeakPolarHBondContact OG1-CA 3.43Å; T71-R128 WeakPolarHBondContact OG1-CD 3.3Å; T71-R128 PolarHBondContact OG1-O 2.81Å; V72-R128 HydrophobicContact CG2-CB 3.71Å; T117-R128 WeakPolarHBondContact OG1-CA 3.36Å; E126-R128 PolarHBondContact O-N 2.8Å | ||
| 129 | E | 96.4 | Very high | 95.8 | Very high | 125 Ų | 125 | 57 Ų | 57 | 58% | 0.584 | 29% | 0.289 | S | S | * | . | B | Isolated β-bridge | trans | -137.8 | 140.9 | -177.7 | -58 | -163.6 | 156 | 0 | 0 | 111.5 | C69 S70 V72 G131 | C69-E129 WeakPolarHBondContact O-CA 3.35Å; S70-E129 PolarHBondContact OG-OE1 2.99Å; V72-E129 HydrophobicContact CG2-CG 3.95Å; E129-G131 PolarHBondContact O-N 2.97Å |
| 130 | G | 95.7 | Very high | 95.9 | Very high | 10 Ų | 10 | 53.7 Ų | 53.7 | 10% | 0.103 | 27% | 0.271 | C | S | . | . | S | Bend | trans | 74.7 | -109.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | C69 C133 | C69-G130 PolarHBondContact O-N 3.3Å; G130-C133 WeakPolarHBondContact O-CB 3.06Å |
| 131 | G | 96.2 | Very high | 96.1 | Very high | 19 Ų | 19 | 54.5 Ų | 54.5 | 20% | 0.196 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | 54.7 | -149.7 | -176 | 0 | 0 | 0 | 0 | 0 | 114.2 | T117 S118 E129 C133 K134 S135 | T117-G131 VanDerWaalsContact O-CA 3.32Å; T117-G131 WeakPolarHBondContact O-CA 3.35Å; S118-G131 CarbonylContact O-C 3.56Å; S118-G131 VanDerWaalsContact O-CA 3.28Å; S118-G131 WeakPolarHBondContact O-CA 3.44Å; E129-G131 PolarHBondContact O-N 2.97Å; G131-C133 PolarHBondContact O-N 2.67Å; G131-K134 PolarHBondContact O-N 2.99Å; G131-K134 VanDerWaalsContact O-N 3.09Å; G131-S135 PolarHBondContact O-N 3.08Å; G131-S135 PolarHBondContact O-OG 2.89Å |
| 132 | V | 96.6 | Very high | 96.2 | Very high | 1 Ų | 1 | 51.8 Ų | 51.8 | 1% | 0.006 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -66.3 | -19.1 | -179.1 | -66.6 | 0 | 0 | 0 | 0 | 114.5 | Y56 S116 S118 K134 S135 R136 A137 M138 | Y56-V132 HydrophobicContact CD1-CG2 4.03Å; Y56-V132 HydrophobicContact CE1-CB 4.28Å; Y56-V132 HydrophobicContact CE1-CG1 3.64Å; Y56-V132 HydrophobicContact CE1-CG2 3.7Å; S116-V132 WeakPolarHBondContact O-CG2 3.42Å; S118-V132 PolarHBondContact O-N 2.98Å; V132-K134 VanDerWaalsContact C-N 3.34Å; V132-S135 WeakPolarHBondContact CA-OG 3.32Å; V132-R136 CarbonylContact O-C 3.54Å; V132-R136 PolarHBondContact O-N 2.85Å; V132-A137 PolarHBondContact O-N 3Å; V132-M138 HydrophobicContact CB-CB 4.02Å; V132-M138 HydrophobicContact CB-CG 4.11Å; V132-M138 HydrophobicContact CB-SD 3.64Å; V132-M138 HydrophobicContact CG1-SD 4.02Å; V132-M138 HydrophobicContact CG2-CB 3.86Å; V132-M138 HydrophobicContact CG2-CG 4.34Å; V132-M138 HydrophobicContact CG2-SD 3.83Å; V132-M138 PolarHBondContact O-N 3.33Å; V132-M138 VanDerWaalsContact O-N 3.08Å |
| 133 | C | 96.6 | Very high | 96.3 | Very high | 4 Ų | 4 | 50.2 Ų | 50.2 | 3% | 0.027 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -57.9 | -45.4 | 167.9 | -177.6 | 0 | 0 | 0 | 0 | 111.6 | C69 T115 S116 G130 G131 A137 | C69-C133 HydrophobicContact CB-CB 3.6Å; C69-C133 WeakPolarHBondContact CB-SG 3.47Å; C69-C133 WeakPolarHBondContact SG-CB 3.44Å; C69-C133 CovalentContact SG-SG 2.03Å; C69-C133 PolarHBondContact SG-SG 2.94Å; T115-C133 VanDerWaalsContact OG1-CB 3.25Å; T115-C133 WeakPolarHBondContact OG1-CB 3.46Å; T115-C133 PolarHBondContact OG1-SG 2.87Å; S116-C133 WeakPolarHBondContact O-CB 3.28Å; S116-C133 PolarHBondContact O-N 3.21Å; S116-C133 VanDerWaalsContact O-N 3.12Å; G130-C133 WeakPolarHBondContact O-CB 3.06Å; G131-C133 PolarHBondContact O-N 2.67Å; C133-A137 WeakPolarHBondContact O-CA 3.44Å; C133-A137 PolarHBondContact O-N 2.81Å |
| 134 | K | 95.9 | Very high | 96.3 | Very high | 138 Ų | 138 | 43.1 Ų | 43.1 | 60% | 0.6 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -82.9 | -46.1 | 176.9 | -69.8 | -172 | -171.5 | -178.9 | 0 | 112.9 | S68 C69 G131 V132 | S68-K134 WeakPolarHBondContact O-CE 3.39Å; S68-K134 PolarHBondContact O-NZ 2.91Å; C69-K134 HydrophobicContact CB-CD 4.27Å; C69-K134 HydrophobicContact CB-CG 3.59Å; G131-K134 PolarHBondContact O-N 2.99Å; G131-K134 VanDerWaalsContact O-N 3.09Å; V132-K134 VanDerWaalsContact C-N 3.34Å |
| 135 | S | 95.4 | Very high | 96.2 | Very high | 89 Ų | 89 | 43.4 Ų | 43.4 | 62% | 0.622 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -78.7 | -26.2 | -170.4 | 62.7 | 0 | 0 | 0 | 0 | 114.6 | G131 V132 | G131-S135 PolarHBondContact O-N 3.08Å; G131-S135 PolarHBondContact O-OG 2.89Å; V132-S135 WeakPolarHBondContact CA-OG 3.32Å |
| 136 | R | 95.1 | Very high | 96.1 | Very high | 131 Ų | 131 | 45.2 Ų | 45.2 | 49% | 0.494 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -132.6 | 8.8 | -175.1 | -62.9 | -172.4 | -175.6 | -127.6 | 11.2 | 114.1 | S19 V132 M138 | S19-R136 VanDerWaalsContact CB-CZ 3.43Å; S19-R136 PolarHBondContact O-NH1 3.31Å; S19-R136 VanDerWaalsContact O-NH1 3.12Å; S19-R136 PolarHBondContact OG-NH1 2.79Å; V132-R136 CarbonylContact O-C 3.54Å; V132-R136 PolarHBondContact O-N 2.85Å; R136-M138 HydrophobicContact CB-CG 3.9Å; R136-M138 HydrophobicContact CB-SD 4.28Å; R136-M138 PolarHBondContact O-N 3.26Å; R136-M138 VanDerWaalsContact O-N 3.12Å |
| 137 | A | 96.1 | Very high | 95.8 | Very high | 6 Ų | 6 | 45.4 Ų | 45.4 | 5% | 0.05 | 24% | 0.24 | C | C | . | . | trans | 50.7 | 33 | -175 | 0 | 0 | 0 | 0 | 0 | 113.8 | G29 V132 C133 K139 | G29-A137 WeakPolarHBondContact CA-O 3.28Å; V132-A137 PolarHBondContact O-N 3Å; C133-A137 WeakPolarHBondContact O-CA 3.44Å; C133-A137 PolarHBondContact O-N 2.81Å; A137-K139 VanDerWaalsContact C-N 3.26Å; A137-K139 PolarHBondContact O-N 3.17Å | ||
| 138 | M | 96.9 | Very high | 95.4 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | trans | -74 | 80.7 | -180 | -69.6 | -177.3 | 76.6 | 0 | 0 | 110.8 | W17 S18 F24 Y56 T115 V132 R136 | W17-M138 HydrophobicContact CD2-CE 4.39Å; W17-M138 HydrophobicContact CG-CE 4.25Å; W17-M138 HydrophobicContact CZ2-CB 3.91Å; W17-M138 HydrophobicContact CZ2-CE 4.48Å; W17-M138 WeakPolarHBondContact CZ2-O 3.49Å; S18-M138 VanDerWaalsContact C-CE 3.43Å; S18-M138 WeakPolarHBondContact O-CE 3.36Å; F24-M138 HydrophobicContact CD2-CE 4.25Å; F24-M138 HydrophobicContact CD2-CG 4.18Å; F24-M138 HydrophobicContact CE2-CE 3.94Å; F24-M138 HydrophobicContact CG-CG 4.19Å; Y56-M138 HydrophobicContact CE2-CE 4.44Å; T115-M138 PolarHBondContact OG1-O 3.22Å; V132-M138 HydrophobicContact CB-CB 4.02Å; V132-M138 HydrophobicContact CB-CG 4.11Å; V132-M138 HydrophobicContact CB-SD 3.64Å; V132-M138 HydrophobicContact CG1-SD 4.02Å; V132-M138 HydrophobicContact CG2-CB 3.86Å; V132-M138 HydrophobicContact CG2-CG 4.34Å; V132-M138 HydrophobicContact CG2-SD 3.83Å; V132-M138 PolarHBondContact O-N 3.33Å; V132-M138 VanDerWaalsContact O-N 3.08Å; R136-M138 HydrophobicContact CB-CG 3.9Å; R136-M138 HydrophobicContact CB-SD 4.28Å; R136-M138 PolarHBondContact O-N 3.26Å; R136-M138 VanDerWaalsContact O-N 3.12Å | ||
| 139 | K | 97.1 | Very high | 94.7 | Very high | 38 Ų | 38 | 45.7 Ų | 45.7 | 17% | 0.165 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 144.4 | 174.7 | 63.1 | -168.1 | 173 | -171.3 | 0 | 109.7 | G27 K28 L30 I114 A137 | G27-K139 WeakPolarHBondContact O-CE 3.34Å; G27-K139 PolarHBondContact O-NZ 3.38Å; G27-K139 VanDerWaalsContact O-NZ 3.09Å; K28-K139 VanDerWaalsContact O-CE 3.22Å; K28-K139 WeakPolarHBondContact O-CE 3.36Å; L30-K139 PolarHBondContact N-O 3.45Å; I114-K139 CarbonylContact O-C 3.6Å; I114-K139 WeakPolarHBondContact O-CA 3.44Å; A137-K139 VanDerWaalsContact C-N 3.26Å; A137-K139 PolarHBondContact O-N 3.17Å |
| 140 | V | 97.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 127.6 | 174.3 | -178 | 0 | 0 | 0 | 0 | 108.2 | I15 W17 F24 L30 I32 Y113 I114 M142 | I15-V140 HydrophobicContact CD1-CG1 3.97Å; I15-V140 HydrophobicContact CD1-CG2 4.05Å; I15-V140 HydrophobicContact CG2-CG2 4.47Å; W17-V140 HydrophobicContact CH2-CG2 4.4Å; W17-V140 HydrophobicContact CZ3-CG2 3.7Å; F24-V140 HydrophobicContact CE1-CG2 3.83Å; F24-V140 HydrophobicContact CZ-CG2 4.33Å; L30-V140 HydrophobicContact CB-CG2 4.31Å; L30-V140 HydrophobicContact CD2-CG2 4.31Å; L30-V140 CarbonylContact O-C 3.53Å; L30-V140 VanDerWaalsContact O-CA 3.29Å; L30-V140 WeakPolarHBondContact O-CA 3.48Å; I32-V140 HydrophobicContact CD1-CG1 4.22Å; I32-V140 HydrophobicContact CG1-CG1 4.11Å; Y113-V140 WeakPolarHBondContact CA-O 3.44Å; I114-V140 HydrophobicContact CB-CB 4.33Å; I114-V140 PolarHBondContact N-O 2.97Å; I114-V140 PolarHBondContact O-N 3.48Å; V140-M142 HydrophobicContact CG1-CG 3.92Å |
| 141 | I | 97.4 | Very high | 92.5 | Very high | 30 Ų | 30 | 49.2 Ų | 49.2 | 15% | 0.154 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 111.5 | 178.2 | -55.3 | 172.9 | 0 | 0 | 0 | 107.3 | L30 V31 I32 Y113 K143 | L30-I141 PolarHBondContact O-N 3.39Å; V31-I141 WeakPolarHBondContact CA-O 3.35Å; V31-I141 HydrophobicContact CG2-CB 4.29Å; V31-I141 HydrophobicContact CG2-CD1 4.25Å; I32-I141 PolarHBondContact N-O 3.47Å; Y113-I141 HydrophobicContact CD1-CB 4.47Å; Y113-I141 HydrophobicContact CD1-CG1 3.93Å; Y113-I141 HydrophobicContact CD1-CG2 4.28Å; Y113-I141 HydrophobicContact CE1-CB 4.46Å; Y113-I141 HydrophobicContact CE1-CD1 4.48Å; Y113-I141 HydrophobicContact CE1-CG1 4.05Å; Y113-I141 HydrophobicContact CE1-CG2 3.85Å; I141-K143 HydrophobicContact CG2-CG 4.47Å |
| 142 | M | 97.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 106.2 | -176.8 | -51.4 | -175.9 | -64.1 | 0 | 0 | 108.8 | I32 P34 L40 L60 F94 F106 N111 Y112 I114 V140 V144 | I32-M142 HydrophobicContact CD1-CG 3.98Å; I32-M142 HydrophobicContact CD1-SD 4.48Å; I32-M142 HydrophobicContact CG1-CB 4.33Å; I32-M142 HydrophobicContact CG1-CG 3.96Å; P34-M142 HydrophobicContact CG-CB 4.23Å; L40-M142 HydrophobicContact CD2-SD 4.22Å; L60-M142 HydrophobicContact CD1-CE 4.16Å; F94-M142 HydrophobicContact CE1-CB 4.38Å; F94-M142 HydrophobicContact CE1-CE 4.33Å; F94-M142 HydrophobicContact CE1-SD 3.82Å; F94-M142 HydrophobicContact CZ-SD 3.71Å; F106-M142 HydrophobicContact CE1-CE 3.75Å; F106-M142 HydrophobicContact CZ-CE 4.33Å; N111-M142 WeakPolarHBondContact CA-O 3.28Å; Y112-M142 PolarHBondContact N-O 2.84Å; Y112-M142 PolarHBondContact O-N 3.35Å; I114-M142 HydrophobicContact CD1-CE 3.67Å; I114-M142 HydrophobicContact CD1-SD 3.77Å; I114-M142 HydrophobicContact CG1-CE 3.85Å; I114-M142 HydrophobicContact CG1-SD 4.39Å; V140-M142 HydrophobicContact CG1-CG 3.92Å; M142-V144 PolarHBondContact O-N 3.41Å |
| 143 | K | 96.9 | Very high | 88.5 | Confident | 55 Ų | 55 | 60 Ų | 60 | 24% | 0.239 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 83.6 | 179.4 | -72.9 | 178.7 | 172 | -173.3 | 0 | 109.5 | V31 I32 Y33 I141 G145 Q146 | V31-K143 HydrophobicContact CG1-CD 4.01Å; V31-K143 HydrophobicContact CG1-CG 4.43Å; I32-K143 PolarHBondContact O-N 3.4Å; Y33-K143 HydrophobicContact CD1-CB 3.81Å; Y33-K143 HydrophobicContact CD1-CD 3.87Å; Y33-K143 HydrophobicContact CE1-CB 4.02Å; Y33-K143 HydrophobicContact CE1-CD 3.19Å; Y33-K143 HydrophobicContact CE1-CG 4.27Å; Y33-K143 PolarHBondContact OH-NZ 2.9Å; I141-K143 HydrophobicContact CG2-CG 4.47Å; K143-G145 PolarHBondContact O-N 2.85Å; K143-Q146 HydrophobicContact CB-CB 4.29Å |
| 144 | V | 96.3 | Very high | 86.4 | Confident | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 122.6 | -165.6 | -178.7 | 0 | 0 | 0 | 0 | 111.3 | P34 I36 F94 F106 R108 N109 V110 Y112 M142 Q146 | P34-V144 HydrophobicContact CG-CG2 4.05Å; P34-V144 CarbonylContact O-C 3.58Å; P34-V144 WeakPolarHBondContact O-CA 3.39Å; I36-V144 HydrophobicContact CD1-CG1 3.52Å; I36-V144 HydrophobicContact CG1-CG1 4.28Å; F94-V144 HydrophobicContact CD1-CG2 3.94Å; F94-V144 HydrophobicContact CE1-CG2 4.14Å; F106-V144 HydrophobicContact CB-CG1 4.35Å; F106-V144 HydrophobicContact CB-CG2 4.41Å; F106-V144 HydrophobicContact CD1-CG2 4.22Å; R108-V144 CarbonylContact C-O 3.59Å; N109-V144 PolarHBondContact N-O 2.82Å; V110-V144 PolarHBondContact O-N 3.5Å; V110-V144 VanDerWaalsContact O-N 3.13Å; Y112-V144 HydrophobicContact CD2-CG2 3.6Å; Y112-V144 HydrophobicContact CE2-CB 4.48Å; Y112-V144 HydrophobicContact CE2-CG2 3.91Å; M142-V144 PolarHBondContact O-N 3.41Å; V144-Q146 PolarHBondContact O-N 2.76Å |
| 145 | G | 92.9 | Very high | 84 | Confident | 9 Ų | 9 | 67.8 Ų | 67.8 | 9% | 0.093 | 40% | 0.395 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 62.4 | 24.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | P34 R108 K143 | P34-G145 PolarHBondContact O-N 3.42Å; R108-G145 PolarHBondContact NH1-O 2.84Å; K143-G145 PolarHBondContact O-N 2.85Å |
| 146 | Q | 94 | Very high | 81.4 | Confident | 52 Ų | 52 | 67.2 Ų | 67.2 | 24% | 0.243 | 40% | 0.395 | C | S | . | . | P | Polyproline II helix | trans | -96.3 | 150.8 | 169.9 | -68.9 | 163.3 | 56.6 | 0 | 0 | 109.3 | Y33 N111 K143 V144 | Y33-Q146 HydrophobicContact CD1-CB 4.32Å; N111-Q146 PolarHBondContact OD1-NE2 2.94Å; K143-Q146 HydrophobicContact CB-CB 4.29Å; V144-Q146 PolarHBondContact O-N 2.76Å |
| 147 | A | 89.9 | Confident | 79.3 | Confident | 95 Ų | 95 | 67 Ų | 67 | 79% | 0.785 | 41% | 0.411 | S | S | * | . | P | Polyproline II helix | trans | -64.1 | 137.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y33 | Y33-A147 WeakPolarHBondContact CD1-O 3.41Å; Y33-A147 VanDerWaalsContact CE1-O 3.29Å; Y33-A147 WeakPolarHBondContact CE1-O 3.4Å |
| 148 | D | 87.1 | Confident | 76.6 | Confident | 62 Ų | 62 | 75.6 Ų | 75.6 | 33% | 0.332 | 45% | 0.45 | S | S | . | . | P | Polyproline II helix | trans | -79.2 | 120.6 | 169.1 | -169.1 | -25.6 | 0 | 0 | 0 | 108.4 | Y33 D150 A151 | Y33-D148 HydrophobicContact CD1-CB 4.26Å; Y33-D148 HydrophobicContact CD2-CB 3.63Å; Y33-D148 VanDerWaalsContact CD2-OD2 3.25Å; Y33-D148 WeakPolarHBondContact CD2-OD2 3.47Å; Y33-D148 HydrophobicContact CE2-CB 4.2Å; Y33-D148 HydrophobicContact CG-CB 3.68Å; D148-D150 PolarHBondContact O-N 3.2Å; D148-D150 PolarHBondContact OD1-N 3.15Å; D148-D150 VanDerWaalsContact OD1-N 3.08Å; D148-A151 HydrophobicContact CB-CB 3.8Å; D148-A151 PolarHBondContact O-N 3.41Å |
| 149 | P | 82.3 | Confident | 73.7 | Confident | 95 Ų | 95 | 82 Ų | 82 | 62% | 0.617 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -22 | -178.9 | 28.9 | -36.4 | 0 | 0 | 0 | 113.3 | Y33 | Y33-P149 VanDerWaalsContact OH-CD 3.27Å; Y33-P149 WeakPolarHBondContact OH-CD 3.26Å |
| 150 | D | 75.6 | Confident | 71.1 | Confident | 149 Ų | 149 | 89.3 Ų | 89.3 | 80% | 0.797 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.4 | -5.8 | -179.8 | -60.5 | -43.2 | 0 | 0 | 0 | 112.1 | D148 A152 | D148-D150 PolarHBondContact O-N 3.2Å; D148-D150 PolarHBondContact OD1-N 3.15Å; D148-D150 VanDerWaalsContact OD1-N 3.08Å; D150-A152 PolarHBondContact O-N 3.01Å; D150-A152 VanDerWaalsContact O-N 3.11Å |
| 151 | A | 69.3 | Low | 68.3 | Low | 59 Ų | 59 | 98.5 Ų | 98.5 | 49% | 0.488 | 57% | 0.567 | S | S | . | * | S | Bend | trans | -77.9 | 96 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | D148 I153 | D148-A151 HydrophobicContact CB-CB 3.8Å; D148-A151 PolarHBondContact O-N 3.41Å; A151-I153 PolarHBondContact O-N 3.12Å |
| 152 | A | 51.6 | Low | 65.4 | Low | 95 Ų | 95 | 103.4 Ų | 103.4 | 79% | 0.785 | 59% | 0.593 | S | S | * | * | trans | -48.2 | 115.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111 | D150 | D150-A152 PolarHBondContact O-N 3.01Å; D150-A152 VanDerWaalsContact O-N 3.11Å | ||
| 153 | I | 56.9 | Low | 62.7 | Low | 152 Ų | 152 | 109.9 Ų | 109.9 | 78% | 0.779 | 63% | 0.628 | S | S | * | * | trans | -64.2 | 129.3 | 173.1 | -57.7 | 171.5 | 0 | 0 | 0 | 106.9 | A151 E155 | A151-I153 PolarHBondContact O-N 3.12Å; I153-E155 PolarHBondContact O-N 3.13Å | ||
| 154 | P | 53.6 | Low | 59.8 | Low | 117 Ų | 117 | 111.8 Ų | 111.8 | 76% | 0.76 | 65% | 0.649 | S | S | * | * | trans | -59.2 | 113.4 | 168.5 | -22.1 | 33.7 | 0 | 0 | 0 | 108.9 | A156 | P154-A156 PolarHBondContact O-N 3.06Å; P154-A156 VanDerWaalsContact O-N 3.09Å | ||
| 155 | E | 43.6 | Very low | 57.2 | Low | 188 Ų | 188 | 118.9 Ų | 118.9 | 88% | 0.879 | 69% | 0.685 | S | S | * | * | trans | -55 | 111 | -173.9 | -166 | 171.7 | -157.1 | 0 | 0 | 110.5 | I153 | I153-E155 PolarHBondContact O-N 3.13Š| ||
| 156 | A | 42.8 | Very low | 54.8 | Low | 77 Ų | 77 | 124.3 Ų | 124.3 | 64% | 0.636 | 72% | 0.719 | S | S | * | * | trans | -79.2 | 132.8 | 166.4 | 0 | 0 | 0 | 0 | 0 | 107.6 | P154 E158 | P154-A156 PolarHBondContact O-N 3.06Å; P154-A156 VanDerWaalsContact O-N 3.09Å; A156-E158 PolarHBondContact O-N 3.05Å | ||
| 157 | P | 49 | Very low | 52 | Low | 126 Ų | 126 | 130.1 Ų | 130.1 | 82% | 0.818 | 75% | 0.746 | S | S | * | * | trans | -72.3 | 104.9 | -174.2 | 28 | -33.8 | 0 | 0 | 0 | 110.7 | T159 | P157-T159 PolarHBondContact O-N 3.12Š| ||
| 158 | E | 40.9 | Very low | 49.2 | Very low | 188 Ų | 188 | 132.6 Ų | 132.6 | 88% | 0.879 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 116.2 | 168.5 | -68.5 | -168.4 | 161.7 | 0 | 0 | 109.7 | A156 Q160 | A156-E158 PolarHBondContact O-N 3.05Å; E158-Q160 PolarHBondContact O-N 2.78Å |
| 159 | T | 35.8 | Very low | 46.8 | Very low | 135 Ų | 135 | 135.1 Ų | 135.1 | 83% | 0.828 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 127.6 | 173.4 | 39.1 | 0 | 0 | 0 | 0 | 110.7 | P157 E161 | P157-T159 PolarHBondContact O-N 3.12Å; T159-E161 PolarHBondContact O-N 2.66Å |
| 160 | Q | 43.1 | Very low | 44.5 | Very low | 191 Ų | 191 | 136 Ų | 136 | 89% | 0.893 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 127.3 | 173.3 | -64.1 | 172.6 | -15.6 | 0 | 0 | 110.8 | E158 | E158-Q160 PolarHBondContact O-N 2.78Š|
| 161 | E | 38.6 | Very low | 42.5 | Very low | 194 Ų | 194 | 134.2 Ų | 134.2 | 91% | 0.907 | 78% | 0.781 | S | S | * | * | trans | -119.9 | 109.3 | 150.8 | -74.7 | -162.1 | 156 | 0 | 0 | 109 | T159 | T159-E161 PolarHBondContact O-N 2.66Š| ||
| 162 | D | 36.9 | Very low | 40.7 | Very low | 132 Ų | 132 | 134.9 Ų | 134.9 | 71% | 0.706 | 79% | 0.794 | S | S | * | * | trans | -69.3 | 143.4 | 166.9 | 174.5 | 27.2 | 0 | 0 | 0 | 109.9 | ||||
| 163 | N | 39.1 | Very low | 40.7 | Very low | 137 Ų | 137 | 136.4 Ų | 136.4 | 73% | 0.733 | 80% | 0.796 | S | S | * | * | -176.5 | 113.6 | 126.2 | -102.9 | -72.2 | 0 | 0 | 0 | 114.3 | |||||
| 164 | S | 36.1 | Very low | 40.1 | Very low | 95 Ų | 95 | 134.7 Ų | 134.7 | 66% | 0.664 | 80% | 0.795 | S | S | * | * | 61.7 | 104.7 | 127.1 | -57.8 | 0 | 0 | 0 | 0 | 121 | |||||
| 165 | I | 41.7 | Very low | 39.1 | Very low | 149 Ų | 149 | 136.4 Ų | 136.4 | 76% | 0.764 | 80% | 0.797 | S | S | * | * | trans | -75.9 | 163.2 | 152.3 | -32.7 | 178.5 | 0 | 0 | 0 | 109.1 | E167 | I165-E167 HydrophobicContact CG2-CG 4.39Š| ||
| 166 | P | 42.4 | Very low | 39.7 | Very low | 123 Ų | 123 | 132.2 Ų | 132.2 | 80% | 0.799 | 79% | 0.786 | S | S | * | * | -136.8 | 134.7 | 113.8 | 25 | -8 | 0 | 0 | 0 | 114.4 | |||||
| 167 | E | 35.9 | Very low | 39.1 | Very low | 174 Ų | 174 | 134.2 Ų | 134.2 | 81% | 0.813 | 80% | 0.796 | S | S | * | * | trans | -71.2 | 159.9 | 165.4 | -62 | -175.5 | 135.2 | 0 | 0 | 111.4 | I165 | I165-E167 HydrophobicContact CG2-CG 4.39Š| ||
| 168 | T | 30.9 | Very low | 38.3 | Very low | 147 Ų | 147 | 137.4 Ų | 137.4 | 90% | 0.902 | 80% | 0.797 | S | S | * | * | trans | -143.5 | 137.2 | 158.1 | -64.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 169 | S | 36.4 | Very low | 37.8 | Very low | 115 Ų | 115 | 134.7 Ų | 134.7 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | trans | -118.1 | 150.5 | -159.5 | 53.5 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 170 | S | 34.2 | Very low | 37.8 | Very low | 112 Ų | 112 | 131.3 Ų | 131.3 | 78% | 0.783 | 79% | 0.785 | S | S | * | * | trans | 169.8 | 140.6 | 165.4 | 151.4 | 0 | 0 | 0 | 0 | 107 | ||||
| 171 | S | 33.9 | Very low | 37.7 | Very low | 113 Ų | 113 | 127.9 Ų | 127.9 | 79% | 0.79 | 78% | 0.779 | S | S | * | * | cis | -175.4 | 179.2 | -10.7 | 49.3 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 172 | G | 30.9 | Very low | 37.3 | Very low | 73 Ų | 73 | 125 Ų | 125 | 75% | 0.753 | 77% | 0.774 | S | S | * | * | trans | -88 | -165.8 | -152.9 | 0 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 173 | P | 52.7 | Low | 37.3 | Very low | 126 Ų | 126 | 126.8 Ų | 126.8 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | trans | -99.5 | -165.6 | -157.2 | 44.7 | -40.5 | 0 | 0 | 0 | 113.8 | ||||
| 174 | P | 43.6 | Very low | 37.6 | Very low | 117 Ų | 117 | 126.3 Ų | 126.3 | 76% | 0.76 | 79% | 0.785 | S | S | * | * | cis | -147.6 | 160.5 | 12.5 | 43.5 | -22.1 | 0 | 0 | 0 | 121.8 | ||||
| 175 | D | 32.3 | Very low | 37.1 | Very low | 153 Ų | 153 | 125.4 Ų | 125.4 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | 57.8 | -175 | 142.6 | -140.4 | 28 | 0 | 0 | 0 | 121.2 | ||||
| 176 | P | 55.8 | Low | 36.8 | Very low | 99 Ų | 99 | 126.1 Ų | 126.1 | 64% | 0.643 | 79% | 0.794 | S | S | * | * | -118.4 | 161.1 | -104 | 38 | -23.7 | 0 | 0 | 0 | 117.3 | |||||
| 177 | S | 30.5 | Very low | 36.9 | Very low | 119 Ų | 119 | 125.9 Ų | 125.9 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | trans | -170.7 | 146.7 | 154.6 | 43.6 | 0 | 0 | 0 | 0 | 117 | ||||
| 178 | K | 32.5 | Very low | 36.7 | Very low | 194 Ų | 194 | 120.7 Ų | 120.7 | 84% | 0.843 | 79% | 0.786 | S | S | * | * | trans | 17 | 146.7 | 139 | -89 | 178.9 | 173.8 | 176 | 0 | 119.4 | ||||
| 179 | T | 31.2 | Very low | 37.3 | Very low | 131 Ų | 131 | 119.6 Ų | 119.6 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | cis | -168.8 | 168.7 | 30.8 | -18.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 180 | G | 34.4 | Very low | 36.9 | Very low | 63 Ų | 63 | 122.8 Ų | 122.8 | 65% | 0.649 | 78% | 0.78 | S | S | * | * | trans | -115.7 | 177.7 | 165.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 181 | P | 42.5 | Very low | 37 | Very low | 120 Ų | 120 | 124.3 Ų | 124.3 | 78% | 0.779 | 78% | 0.778 | S | S | * | * | trans | -128.2 | 136.4 | 152.2 | 28.9 | -12 | 0 | 0 | 0 | 112 | ||||
| 182 | V | 30.4 | Very low | 36.8 | Very low | 132 Ų | 132 | 127.9 Ų | 127.9 | 80% | 0.8 | 78% | 0.782 | S | S | * | * | 64 | 100.3 | 65.6 | -176.8 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 183 | M | 36.1 | Very low | 36.8 | Very low | 171 Ų | 171 | 131.6 Ų | 131.6 | 84% | 0.842 | 79% | 0.785 | S | S | * | * | 71.8 | 144.5 | 72.4 | -160 | 170.6 | -78.3 | 0 | 0 | 111.6 | |||||
| 184 | P | 46 | Very low | 36 | Very low | 127 Ų | 127 | 133 Ų | 133 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | cis | -151.5 | 176.1 | 41 | 44 | -22 | 0 | 0 | 0 | 121.4 | ||||
| 185 | G | 25.5 | Very low | 36.6 | Very low | 75 Ų | 75 | 133 Ų | 133 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | trans | 174.3 | 102.3 | 164.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 186 | I | 35.6 | Very low | 36.4 | Very low | 164 Ų | 164 | 129.3 Ų | 129.3 | 84% | 0.841 | 78% | 0.784 | S | S | * | * | trans | -142.7 | 145.9 | 179.7 | -89 | 175.9 | 0 | 0 | 0 | 105.6 | ||||
| 187 | P | 42.8 | Very low | 35.1 | Very low | 119 Ų | 119 | 129.8 Ų | 129.8 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | -145.7 | 175.6 | 52.5 | 29.1 | -3.5 | 0 | 0 | 0 | 118.9 | |||||
| 188 | G | 31.7 | Very low | 35.1 | Very low | 65 Ų | 65 | 129.9 Ų | 129.9 | 67% | 0.67 | 79% | 0.79 | S | S | * | * | trans | -82.8 | -160.5 | 164.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 189 | P | 44.3 | Very low | 35 | Very low | 123 Ų | 123 | 125.7 Ų | 125.7 | 80% | 0.799 | 79% | 0.785 | S | S | * | * | -155.3 | 176.2 | 51.8 | 42.9 | -21.7 | 0 | 0 | 0 | 120 | |||||
| 190 | K | 28.6 | Very low | 34.9 | Very low | 182 Ų | 182 | 124 Ų | 124 | 79% | 0.791 | 78% | 0.779 | S | S | * | * | trans | 66.1 | 114.9 | 146.4 | -79.7 | 179.5 | 178.7 | -177.9 | 0 | 125 | ||||
| 191 | I | 35.3 | Very low | 34.9 | Very low | 144 Ų | 144 | 127.8 Ų | 127.8 | 74% | 0.738 | 79% | 0.79 | S | S | * | * | 45.5 | 120.8 | 118.9 | -54.3 | 169.6 | 0 | 0 | 0 | 120.6 | |||||
| 192 | Q | 30.3 | Very low | 34.8 | Very low | 188 Ų | 188 | 130 Ų | 130 | 88% | 0.879 | 80% | 0.795 | S | S | * | * | -170.2 | 156.6 | 114.1 | -134.8 | 157.5 | 31.3 | 0 | 0 | 113.8 | |||||
| 193 | D | 31.2 | Very low | 35.1 | Very low | 151 Ų | 151 | 127.3 Ų | 127.3 | 81% | 0.807 | 79% | 0.794 | S | S | * | * | trans | -103.2 | 171.1 | -179.7 | -66.2 | -73.8 | 0 | 0 | 0 | 113.5 | ||||
| 194 | D | 36.4 | Very low | 35.5 | Very low | 156 Ų | 156 | 129.6 Ų | 129.6 | 83% | 0.834 | 80% | 0.799 | S | S | * | * | trans | 82.7 | 161.2 | 159.1 | -102.2 | -23.6 | 0 | 0 | 0 | 119.7 | ||||
| 195 | P | 56.4 | Low | 35.4 | Very low | 117 Ų | 117 | 131.3 Ų | 131.3 | 76% | 0.76 | 80% | 0.801 | S | S | * | * | -133.5 | 176.2 | -118 | 42.4 | -24.6 | 0 | 0 | 0 | 117.8 | |||||
| 196 | G | 26.8 | Very low | 36.4 | Very low | 75 Ų | 75 | 133 Ų | 133 | 77% | 0.773 | 80% | 0.801 | S | S | * | * | trans | 103 | 161.7 | 173 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 197 | S | 28.8 | Very low | 37 | Very low | 109 Ų | 109 | 128.5 Ų | 128.5 | 76% | 0.762 | 78% | 0.784 | S | S | * | * | cis | -165.3 | 166.4 | -16.8 | 64.6 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 198 | S | 30 | Very low | 37.4 | Very low | 121 Ų | 121 | 131.9 Ų | 131.9 | 85% | 0.846 | 79% | 0.786 | S | S | * | * | trans | 68.3 | 150.8 | 175.6 | 89.7 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 199 | S | 31.2 | Very low | 38.5 | Very low | 107 Ų | 107 | 134.4 Ų | 134.4 | 75% | 0.748 | 79% | 0.789 | S | S | * | * | cis | -160.8 | 173.8 | -12.9 | 81.7 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 200 | S | 28.9 | Very low | 39 | Very low | 96 Ų | 96 | 131.3 Ų | 131.3 | 67% | 0.671 | 77% | 0.773 | S | S | * | * | cis | -149.8 | 140.7 | -6.6 | -47.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 201 | T | 35.1 | Very low | 40.3 | Very low | 142 Ų | 142 | 127 Ų | 127 | 87% | 0.871 | 76% | 0.762 | S | S | * | * | trans | -172.8 | 104.3 | 136.2 | 37.7 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 202 | D | 38.7 | Very low | 41.2 | Very low | 167 Ų | 167 | 127.2 Ų | 127.2 | 89% | 0.893 | 76% | 0.758 | S | S | * | * | trans | -72.6 | 142.3 | 175.5 | -72.5 | -72.6 | 0 | 0 | 0 | 112.4 | ||||
| 203 | G | 37.9 | Very low | 42.7 | Very low | 75 Ų | 75 | 121.5 Ų | 121.5 | 77% | 0.773 | 74% | 0.739 | S | S | * | * | trans | 180 | 76.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 204 | F | 44.1 | Very low | 44.3 | Very low | 218 Ų | 218 | 117.8 Ų | 117.8 | 96% | 0.956 | 73% | 0.725 | S | S | * | * | trans | 75.5 | 77.5 | 163.8 | -128.7 | -92.8 | 0 | 0 | 0 | 117.7 | ||||
| 205 | L | 44.7 | Very low | 46.3 | Very low | 164 Ų | 164 | 115.1 Ų | 115.1 | 86% | 0.859 | 71% | 0.709 | S | S | * | * | trans | -79.5 | 152 | 168.9 | -75.4 | 176.7 | 0 | 0 | 0 | 113.7 | ||||
| 206 | S | 44.9 | Very low | 47.2 | Very low | 110 Ų | 110 | 112 Ų | 112 | 77% | 0.769 | 69% | 0.693 | S | S | * | * | trans | 82.4 | 92.9 | 146.9 | -155.1 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 207 | S | 48.9 | Very low | 50 | Low | 69 Ų | 69 | 113 Ų | 113 | 48% | 0.483 | 68% | 0.68 | S | S | . | * | -171.5 | 105.2 | 113.6 | -87.4 | 0 | 0 | 0 | 0 | 112.7 | V209 A210 | S207-V209 PolarHBondContact O-N 2.65Å; S207-V209 VanDerWaalsContact O-N 3.1Å; S207-A210 PolarHBondContact O-N 3.07Å; S207-A210 VanDerWaalsContact O-N 3.13Å | |||
| 208 | K | 50.6 | Low | 52.8 | Low | 191 Ų | 191 | 109.6 Ų | 109.6 | 83% | 0.83 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -59.6 | -16.1 | 163.8 | -92.8 | -174.3 | 174.5 | 179.2 | 0 | 112.7 | F212 | K208-F212 WeakPolarHBondContact O-CD2 3.24Å; K208-F212 WeakPolarHBondContact O-CE2 3.41Å |
| 209 | V | 54.6 | Low | 55.7 | Low | 118 Ų | 118 | 107.1 Ų | 107.1 | 72% | 0.715 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -79.9 | -28.3 | 176.7 | -174.7 | 0 | 0 | 0 | 0 | 112.7 | S207 | S207-V209 PolarHBondContact O-N 2.65Å; S207-V209 VanDerWaalsContact O-N 3.1Å |
| 210 | A | 54.8 | Low | 58.6 | Low | 58 Ų | 58 | 107 Ų | 107 | 48% | 0.479 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -73 | -35.2 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | S207 F212 S213 S214 | S207-A210 PolarHBondContact O-N 3.07Å; S207-A210 VanDerWaalsContact O-N 3.13Å; A210-F212 PolarHBondContact O-N 2.89Å; A210-S213 PolarHBondContact O-N 3.38Å; A210-S214 PolarHBondContact O-N 2.9Å |
| 211 | V | 57 | Low | 61.7 | Low | 91 Ų | 91 | 107.1 Ų | 107.1 | 55% | 0.552 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -70.5 | -32.3 | -176.4 | -165.5 | 0 | 0 | 0 | 0 | 112.1 | S214 I215 | V211-S214 PolarHBondContact O-OG 3.46Å; V211-S214 VanDerWaalsContact O-OG 3.08Å; V211-I215 HydrophobicContact CG1-CD1 4.49Å; V211-I215 WeakPolarHBondContact O-CD1 3.39Å; V211-I215 WeakPolarHBondContact O-CG1 3.32Å |
| 212 | F | 54.2 | Low | 64.5 | Low | 149 Ų | 149 | 106.7 Ų | 106.7 | 65% | 0.654 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -74.8 | -29.6 | 175.1 | -63.4 | -68 | 0 | 0 | 0 | 112.8 | K208 A210 I215 A216 | K208-F212 WeakPolarHBondContact O-CD2 3.24Å; K208-F212 WeakPolarHBondContact O-CE2 3.41Å; A210-F212 PolarHBondContact O-N 2.89Å; F212-I215 PolarHBondContact O-N 2.79Å; F212-A216 PolarHBondContact O-N 3.47Å; F212-A216 VanDerWaalsContact O-N 3.11Å |
| 213 | S | 61.4 | Low | 67.2 | Low | 68 Ų | 68 | 103.7 Ų | 103.7 | 48% | 0.476 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -69 | -39.1 | 179.7 | -165.7 | 0 | 0 | 0 | 0 | 112.5 | A210 A216 I217 | A210-S213 PolarHBondContact O-N 3.38Å; S213-A216 PolarHBondContact O-N 2.68Å; S213-I217 WeakPolarHBondContact O-CG1 3.32Å; S213-I217 PolarHBondContact O-N 3.49Å |
| 214 | S | 65.9 | Low | 69.9 | Low | 73 Ų | 73 | 103.6 Ų | 103.6 | 51% | 0.51 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -68.8 | -36.6 | 175.6 | 58.6 | 0 | 0 | 0 | 0 | 112.7 | A210 V211 I217 G218 | A210-S214 PolarHBondContact O-N 2.9Å; V211-S214 PolarHBondContact O-OG 3.46Å; V211-S214 VanDerWaalsContact O-OG 3.08Å; S214-I217 PolarHBondContact O-N 2.8Å; S214-G218 PolarHBondContact O-N 2.75Å |
| 215 | I | 76.9 | Confident | 72.4 | Confident | 99 Ų | 99 | 97.8 Ų | 97.8 | 51% | 0.508 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -63.8 | -44.5 | 175.3 | -66.2 | 165.8 | 0 | 0 | 0 | 110.7 | V211 F212 I217 G218 C219 | V211-I215 HydrophobicContact CG1-CD1 4.49Å; V211-I215 WeakPolarHBondContact O-CD1 3.39Å; V211-I215 WeakPolarHBondContact O-CG1 3.32Å; F212-I215 PolarHBondContact O-N 2.79Å; I215-I217 PolarHBondContact O-N 2.85Å; I215-G218 PolarHBondContact O-N 3.01Å; I215-C219 PolarHBondContact O-N 3.25Å; I215-C219 PolarHBondContact O-SG 2.83Å; I215-C219 VanDerWaalsContact O-SG 3.37Å |
| 216 | A | 76.1 | Confident | 74.8 | Confident | 52 Ų | 52 | 93.3 Ų | 93.3 | 43% | 0.43 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -60.1 | -45.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | F212 S213 C219 I220 | F212-A216 PolarHBondContact O-N 3.47Å; F212-A216 VanDerWaalsContact O-N 3.11Å; S213-A216 PolarHBondContact O-N 2.68Å; A216-C219 PolarHBondContact O-N 2.86Å; A216-I220 WeakPolarHBondContact O-CG1 3.26Å; A216-I220 PolarHBondContact O-N 2.67Å |
| 217 | I | 84.7 | Confident | 77.2 | Confident | 95 Ų | 95 | 93.2 Ų | 93.2 | 49% | 0.487 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.3 | -42 | 177.1 | -64.9 | 166.2 | 0 | 0 | 0 | 110.9 | S213 S214 I215 C219 I220 I221 | S213-I217 WeakPolarHBondContact O-CG1 3.32Å; S213-I217 PolarHBondContact O-N 3.49Å; S214-I217 PolarHBondContact O-N 2.8Å; I215-I217 PolarHBondContact O-N 2.85Å; I217-C219 PolarHBondContact O-N 3.24Å; I217-I220 PolarHBondContact O-N 2.64Å; I217-I221 HydrophobicContact CG2-CD1 3.87Å; I217-I221 WeakPolarHBondContact O-CG1 3.48Å; I217-I221 PolarHBondContact O-N 3.38Å |
| 218 | G | 87.7 | Confident | 79.5 | Confident | 38 Ų | 38 | 94.8 Ų | 94.8 | 39% | 0.392 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -59.5 | -44.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | S214 I215 I221 F222 | S214-G218 PolarHBondContact O-N 2.75Å; I215-G218 PolarHBondContact O-N 3.01Å; G218-I221 PolarHBondContact O-N 3.03Å; G218-F222 WeakPolarHBondContact O-CB 3.29Å; G218-F222 PolarHBondContact O-N 2.8Å |
| 219 | C | 90.5 | Very high | 81.6 | Confident | 69 Ų | 69 | 90.8 Ų | 90.8 | 47% | 0.466 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.2 | -41.8 | 174.2 | -72.6 | 0 | 0 | 0 | 0 | 112.3 | I215 A216 I217 F222 L223 | I215-C219 PolarHBondContact O-N 3.25Å; I215-C219 PolarHBondContact O-SG 2.83Å; I215-C219 VanDerWaalsContact O-SG 3.37Å; A216-C219 PolarHBondContact O-N 2.86Å; I217-C219 PolarHBondContact O-N 3.24Å; C219-F222 PolarHBondContact O-N 3.46Å; C219-L223 WeakPolarHBondContact O-CB 3.29Å; C219-L223 VanDerWaalsContact O-CG 3.25Å; C219-L223 WeakPolarHBondContact O-CG 3.21Å; C219-L223 PolarHBondContact O-N 2.94Å |
| 220 | I | 93.1 | Very high | 83.6 | Confident | 104 Ų | 104 | 88.5 Ų | 88.5 | 53% | 0.533 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.6 | -46.8 | 176.9 | -68.7 | 163.9 | 0 | 0 | 0 | 110.7 | A216 I217 F222 L223 V224 | A216-I220 WeakPolarHBondContact O-CG1 3.26Å; A216-I220 PolarHBondContact O-N 2.67Å; I217-I220 PolarHBondContact O-N 2.64Å; I220-F222 VanDerWaalsContact C-N 3.34Å; I220-F222 PolarHBondContact O-N 3.44Å; I220-L223 PolarHBondContact O-N 3.23Å; I220-V224 WeakPolarHBondContact O-CG2 3.2Å; I220-V224 PolarHBondContact O-N 3.09Å |
| 221 | I | 94.3 | Very high | 85.5 | Confident | 99 Ų | 99 | 90.3 Ų | 90.3 | 51% | 0.508 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.6 | -43 | 177.5 | -66.4 | 166.5 | 0 | 0 | 0 | 110.8 | I217 G218 V224 L225 | I217-I221 HydrophobicContact CG2-CD1 3.87Å; I217-I221 WeakPolarHBondContact O-CG1 3.48Å; I217-I221 PolarHBondContact O-N 3.38Å; G218-I221 PolarHBondContact O-N 3.03Å; I221-V224 PolarHBondContact O-N 3.23Å; I221-L225 HydrophobicContact CG2-CD1 4.19Å; I221-L225 WeakPolarHBondContact O-CG 3.18Å; I221-L225 PolarHBondContact O-N 3.38Å |
| 222 | F | 93.4 | Very high | 87.3 | Confident | 134 Ų | 134 | 90.9 Ų | 90.9 | 59% | 0.588 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.9 | -42 | 177.8 | -173.3 | -113 | 0 | 0 | 0 | 112.6 | G218 C219 I220 L225 I226 | G218-F222 WeakPolarHBondContact O-CB 3.29Å; G218-F222 PolarHBondContact O-N 2.8Å; C219-F222 PolarHBondContact O-N 3.46Å; I220-F222 VanDerWaalsContact C-N 3.34Å; I220-F222 PolarHBondContact O-N 3.44Å; F222-L225 PolarHBondContact O-N 2.79Å; F222-I226 HydrophobicContact CD1-CD1 3.77Å; F222-I226 HydrophobicContact CE1-CD1 3.47Å; F222-I226 VanDerWaalsContact CE1-CD1 3.47Å; F222-I226 HydrophobicContact CE1-CG1 4.48Å; F222-I226 HydrophobicContact CG-CD1 4.44Å; F222-I226 HydrophobicContact CZ-CD1 3.89Å; F222-I226 WeakPolarHBondContact O-CG1 3.45Å; F222-I226 PolarHBondContact O-N 2.77Å |
| 223 | L | 95 | Very high | 89.1 | Confident | 104 Ų | 104 | 88.7 Ų | 88.7 | 55% | 0.545 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.8 | -39 | 174.8 | -71.6 | 171.2 | 0 | 0 | 0 | 112.2 | C219 I220 I226 L227 | C219-L223 WeakPolarHBondContact O-CB 3.29Å; C219-L223 VanDerWaalsContact O-CG 3.25Å; C219-L223 WeakPolarHBondContact O-CG 3.21Å; C219-L223 PolarHBondContact O-N 2.94Å; I220-L223 PolarHBondContact O-N 3.23Å; L223-I226 PolarHBondContact O-N 3.29Å; L223-L227 WeakPolarHBondContact O-CG 3.12Å; L223-L227 PolarHBondContact O-N 3.25Å |
| 224 | V | 95.5 | Very high | 90.6 | Very high | 73 Ų | 73 | 90.4 Ų | 90.4 | 44% | 0.442 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.4 | -41.6 | 173.8 | 171 | 0 | 0 | 0 | 0 | 111.2 | I220 I221 L227 L228 | I220-V224 WeakPolarHBondContact O-CG2 3.2Å; I220-V224 PolarHBondContact O-N 3.09Å; I221-V224 PolarHBondContact O-N 3.23Å; V224-L227 PolarHBondContact O-N 2.62Å; V224-L228 HydrophobicContact CG1-CD1 4.19Å; V224-L228 WeakPolarHBondContact O-CG 3.34Å; V224-L228 PolarHBondContact O-N 3.44Å |
| 225 | L | 95.4 | Very high | 91.8 | Very high | 95 Ų | 95 | 94.3 Ų | 94.3 | 50% | 0.497 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.8 | -41.7 | 174.6 | -73.9 | 170.3 | 0 | 0 | 0 | 112.3 | I221 F222 L228 L229 | I221-L225 HydrophobicContact CG2-CD1 4.19Å; I221-L225 WeakPolarHBondContact O-CG 3.18Å; I221-L225 PolarHBondContact O-N 3.38Å; F222-L225 PolarHBondContact O-N 2.79Å; L225-L228 PolarHBondContact O-N 2.51Å; L225-L229 WeakPolarHBondContact O-CG 3.29Å; L225-L229 PolarHBondContact O-N 2.82Å |
| 226 | I | 95.9 | Very high | 92.2 | Very high | 71 Ų | 71 | 95.3 Ų | 95.3 | 36% | 0.364 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.8 | -45.6 | 173.8 | -71.1 | 168.7 | 0 | 0 | 0 | 110.8 | F222 L223 L228 L229 V230 | F222-I226 HydrophobicContact CD1-CD1 3.77Å; F222-I226 HydrophobicContact CE1-CD1 3.47Å; F222-I226 VanDerWaalsContact CE1-CD1 3.47Å; F222-I226 HydrophobicContact CE1-CG1 4.48Å; F222-I226 HydrophobicContact CG-CD1 4.44Å; F222-I226 HydrophobicContact CZ-CD1 3.89Å; F222-I226 WeakPolarHBondContact O-CG1 3.45Å; F222-I226 PolarHBondContact O-N 2.77Å; L223-I226 PolarHBondContact O-N 3.29Å; I226-L228 VanDerWaalsContact C-N 3.35Å; I226-L228 PolarHBondContact O-N 2.64Å; I226-L229 PolarHBondContact O-N 2.8Å; I226-V230 HydrophobicContact CG2-CG2 4.36Å; I226-V230 WeakPolarHBondContact O-CG2 3.35Å; I226-V230 PolarHBondContact O-N 3.16Å |
| 227 | L | 95.9 | Very high | 92.6 | Very high | 107 Ų | 107 | 101.4 Ų | 101.4 | 56% | 0.56 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -60.4 | -43.3 | 177 | -77.1 | 167.6 | 0 | 0 | 0 | 111.8 | L223 V224 V230 I231 | L223-L227 WeakPolarHBondContact O-CG 3.12Å; L223-L227 PolarHBondContact O-N 3.25Å; V224-L227 PolarHBondContact O-N 2.62Å; L227-V230 PolarHBondContact O-N 3.36Å; L227-I231 WeakPolarHBondContact O-CB 3.04Å; L227-I231 WeakPolarHBondContact O-CD1 3.36Å; L227-I231 VanDerWaalsContact O-CG1 3.23Å; L227-I231 WeakPolarHBondContact O-CG1 2.99Å; L227-I231 PolarHBondContact O-N 3.24Å |
| 228 | L | 95.6 | Very high | 92.5 | Very high | 103 Ų | 103 | 103.5 Ų | 103.5 | 54% | 0.539 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.9 | -42.5 | 175.6 | -71.7 | 173.2 | 0 | 0 | 0 | 112 | V224 L225 I226 I231 L232 | V224-L228 HydrophobicContact CG1-CD1 4.19Å; V224-L228 WeakPolarHBondContact O-CG 3.34Å; V224-L228 PolarHBondContact O-N 3.44Å; L225-L228 PolarHBondContact O-N 2.51Å; I226-L228 VanDerWaalsContact C-N 3.35Å; I226-L228 PolarHBondContact O-N 2.64Å; L228-I231 PolarHBondContact O-N 3.38Å; L228-L232 WeakPolarHBondContact O-CB 3.47Å; L228-L232 PolarHBondContact O-N 3.05Å |
| 229 | L | 95.8 | Very high | 92 | Very high | 106 Ų | 106 | 110.3 Ų | 110.3 | 56% | 0.555 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -62.9 | -43.7 | 174.4 | -77.3 | 170.4 | 0 | 0 | 0 | 112.1 | L225 I226 L232 L233 | L225-L229 WeakPolarHBondContact O-CG 3.29Å; L225-L229 PolarHBondContact O-N 2.82Å; I226-L229 PolarHBondContact O-N 2.8Å; L229-L232 WeakPolarHBondContact O-CB 3.31Å; L229-L232 PolarHBondContact O-N 3.43Å; L229-L233 WeakPolarHBondContact O-CB 3.11Å; L229-L233 VanDerWaalsContact O-CG 3.3Å; L229-L233 WeakPolarHBondContact O-CG 3.35Å; L229-L233 PolarHBondContact O-N 3.41Å |
| 230 | V | 95.9 | Very high | 90.9 | Very high | 70 Ų | 70 | 110.6 Ų | 110.6 | 42% | 0.424 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -62.7 | -43.9 | 176.1 | 170.3 | 0 | 0 | 0 | 0 | 110.9 | I226 L227 L232 L233 I234 | I226-V230 HydrophobicContact CG2-CG2 4.36Å; I226-V230 WeakPolarHBondContact O-CG2 3.35Å; I226-V230 PolarHBondContact O-N 3.16Å; L227-V230 PolarHBondContact O-N 3.36Å; V230-L232 VanDerWaalsContact C-N 3.34Å; V230-L232 PolarHBondContact O-N 3.42Å; V230-L233 PolarHBondContact O-N 2.89Å; V230-I234 HydrophobicContact CG1-CD1 3.75Å; V230-I234 HydrophobicContact CG1-CG1 4.44Å; V230-I234 WeakPolarHBondContact O-CB 3.33Å; V230-I234 VanDerWaalsContact O-CG1 3.24Å; V230-I234 WeakPolarHBondContact O-CG1 3.37Å; V230-I234 PolarHBondContact O-N 2.89Å |
| 231 | I | 95.4 | Very high | 89.7 | Confident | 97 Ų | 97 | 114.8 Ų | 114.8 | 50% | 0.497 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -62.5 | -41.1 | 175 | -69.3 | 164.2 | 0 | 0 | 0 | 110.9 | L227 L228 I234 K235 | L227-I231 WeakPolarHBondContact O-CB 3.04Å; L227-I231 WeakPolarHBondContact O-CD1 3.36Å; L227-I231 VanDerWaalsContact O-CG1 3.23Å; L227-I231 WeakPolarHBondContact O-CG1 2.99Å; L227-I231 PolarHBondContact O-N 3.24Å; L228-I231 PolarHBondContact O-N 3.38Å; I231-I234 PolarHBondContact O-N 2.58Å; I231-K235 WeakPolarHBondContact O-CB 3.45Å; I231-K235 PolarHBondContact O-N 2.02Å |
| 232 | L | 94.1 | Very high | 87.9 | Confident | 103 Ų | 103 | 116.9 Ų | 116.9 | 54% | 0.539 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -63.1 | -46.6 | 176.3 | -162.7 | 88.6 | 0 | 0 | 0 | 111.1 | L228 L229 V230 I234 K235 M236 | L228-L232 WeakPolarHBondContact O-CB 3.47Å; L228-L232 PolarHBondContact O-N 3.05Å; L229-L232 WeakPolarHBondContact O-CB 3.31Å; L229-L232 PolarHBondContact O-N 3.43Å; V230-L232 VanDerWaalsContact C-N 3.34Å; V230-L232 PolarHBondContact O-N 3.42Å; L232-I234 PolarHBondContact O-N 3.46Å; L232-K235 CarbonylContact O-C 3.51Å; L232-K235 PolarHBondContact O-N 2.86Å; L232-M236 WeakPolarHBondContact O-CB 3.29Å; L232-M236 WeakPolarHBondContact O-CG 3.45Å; L232-M236 PolarHBondContact O-N 2.86Å |
| 233 | L | 93.4 | Very high | 86.2 | Confident | 103 Ų | 103 | 115.4 Ų | 115.4 | 54% | 0.539 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -64.2 | -38.2 | 176.7 | -71.6 | 173.5 | 0 | 0 | 0 | 112.1 | L229 V230 M236 R237 | L229-L233 WeakPolarHBondContact O-CB 3.11Å; L229-L233 VanDerWaalsContact O-CG 3.3Å; L229-L233 WeakPolarHBondContact O-CG 3.35Å; L229-L233 PolarHBondContact O-N 3.41Å; V230-L233 PolarHBondContact O-N 2.89Å; L233-M236 PolarHBondContact O-N 2.61Å; L233-R237 WeakPolarHBondContact O-CB 3.38Å; L233-R237 WeakPolarHBondContact O-CG 3.33Å; L233-R237 PolarHBondContact O-N 3.31Å |
| 234 | I | 92.9 | Very high | 84.3 | Confident | 104 Ų | 104 | 113.7 Ų | 113.7 | 53% | 0.533 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -65.9 | -43.1 | 172.5 | -69.5 | 166.4 | 0 | 0 | 0 | 110.3 | V230 I231 L232 R237 K238 | V230-I234 HydrophobicContact CG1-CD1 3.75Å; V230-I234 HydrophobicContact CG1-CG1 4.44Å; V230-I234 WeakPolarHBondContact O-CB 3.33Å; V230-I234 VanDerWaalsContact O-CG1 3.24Å; V230-I234 WeakPolarHBondContact O-CG1 3.37Å; V230-I234 PolarHBondContact O-N 2.89Å; I231-I234 PolarHBondContact O-N 2.58Å; L232-I234 PolarHBondContact O-N 3.46Å; I234-R237 PolarHBondContact O-N 3.05Å; I234-K238 WeakPolarHBondContact O-CB 3.47Å; I234-K238 PolarHBondContact O-N 2.87Å |
| 235 | K | 90.3 | Very high | 82.1 | Confident | 154 Ų | 154 | 118.5 Ų | 118.5 | 67% | 0.67 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -63.3 | -40.2 | 174.1 | -101.9 | -174 | 172.5 | 177.1 | 0 | 111.9 | I231 L232 K238 R239 | I231-K235 WeakPolarHBondContact O-CB 3.45Å; I231-K235 PolarHBondContact O-N 2.02Å; L232-K235 CarbonylContact O-C 3.51Å; L232-K235 PolarHBondContact O-N 2.86Å; K235-K238 PolarHBondContact O-N 3.41Å; K235-R239 VanDerWaalsContact O-CB 3.29Å; K235-R239 WeakPolarHBondContact O-CB 3.49Å; K235-R239 PolarHBondContact O-N 2.79Å |
| 236 | M | 84.8 | Confident | 79.9 | Confident | 120 Ų | 120 | 119 Ų | 119 | 59% | 0.591 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -66.7 | -45 | 175.7 | -77.3 | -145.6 | 68.8 | 0 | 0 | 112 | L232 L233 K238 R239 S240 | L232-M236 WeakPolarHBondContact O-CB 3.29Å; L232-M236 WeakPolarHBondContact O-CG 3.45Å; L232-M236 PolarHBondContact O-N 2.86Å; L233-M236 PolarHBondContact O-N 2.61Å; M236-K238 VanDerWaalsContact C-N 3.33Å; M236-K238 PolarHBondContact O-N 3.16Å; M236-R239 PolarHBondContact O-N 3.35Å; M236-S240 VanDerWaalsContact O-CB 3.26Å; M236-S240 WeakPolarHBondContact O-CB 3.35Å; M236-S240 PolarHBondContact O-N 2.88Å |
| 237 | R | 85.9 | Confident | 77.4 | Confident | 181 Ų | 181 | 123.7 Ų | 123.7 | 68% | 0.683 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -62.5 | -38.6 | 172.4 | -74.6 | 177.9 | 174.4 | -175.3 | -1 | 111.7 | L233 I234 R241 | L233-R237 WeakPolarHBondContact O-CB 3.38Å; L233-R237 WeakPolarHBondContact O-CG 3.33Å; L233-R237 PolarHBondContact O-N 3.31Å; I234-R237 PolarHBondContact O-N 3.05Å; R237-R241 WeakPolarHBondContact O-CB 3.5Å; R237-R241 VanDerWaalsContact O-CG 3.29Å; R237-R241 WeakPolarHBondContact O-CG 3.33Å; R237-R241 PolarHBondContact O-N 3.25Å |
| 238 | K | 81.4 | Confident | 74.5 | Confident | 139 Ų | 139 | 123 Ų | 123 | 60% | 0.604 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -69.8 | -35.5 | 176 | -167.3 | 170.7 | -174.6 | 173.6 | 0 | 112.1 | I234 K235 M236 K242 | I234-K238 WeakPolarHBondContact O-CB 3.47Å; I234-K238 PolarHBondContact O-N 2.87Å; K235-K238 PolarHBondContact O-N 3.41Å; M236-K238 VanDerWaalsContact C-N 3.33Å; M236-K238 PolarHBondContact O-N 3.16Å; K238-K242 WeakPolarHBondContact O-CG 3.28Å; K238-K242 PolarHBondContact O-N 2.83Å |
| 239 | R | 77.8 | Confident | 71.7 | Confident | 180 Ų | 180 | 129.2 Ų | 129.2 | 68% | 0.679 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -71.2 | -42.1 | 173.3 | -167.1 | 175.6 | -172.4 | 177.1 | 1.9 | 111.4 | K235 M236 K242 N243 | K235-R239 VanDerWaalsContact O-CB 3.29Å; K235-R239 WeakPolarHBondContact O-CB 3.49Å; K235-R239 PolarHBondContact O-N 2.79Å; M236-R239 PolarHBondContact O-N 3.35Å; R239-K242 WeakPolarHBondContact O-CB 3.08Å; R239-K242 PolarHBondContact O-N 3.24Å; R239-K242 VanDerWaalsContact O-N 3.16Å; R239-N243 VanDerWaalsContact O-CG 3.29Å; R239-N243 PolarHBondContact O-N 3.4Å; R239-N243 PolarHBondContact O-OD1 3.13Å; R239-N243 VanDerWaalsContact O-OD1 3.13Å |
| 240 | S | 67.1 | Low | 69 | Low | 76 Ų | 76 | 130 Ų | 130 | 53% | 0.531 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -59.5 | -45.3 | 171.9 | 170.5 | 0 | 0 | 0 | 0 | 111.6 | M236 K242 N243 A244 | M236-S240 VanDerWaalsContact O-CB 3.26Å; M236-S240 WeakPolarHBondContact O-CB 3.35Å; M236-S240 PolarHBondContact O-N 2.88Å; S240-K242 VanDerWaalsContact C-N 3.33Å; S240-K242 PolarHBondContact O-N 2.82Å; S240-N243 PolarHBondContact O-N 3.23Å; S240-A244 WeakPolarHBondContact O-CB 3.46Å; S240-A244 PolarHBondContact O-N 3.2Å |
| 241 | R | 67.3 | Low | 66.1 | Low | 192 Ų | 192 | 131.6 Ų | 131.6 | 73% | 0.725 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -62.4 | -35.2 | 172.8 | -73.1 | 178.2 | -167.5 | -170.1 | 4.2 | 113.3 | R237 H245 | R237-R241 WeakPolarHBondContact O-CB 3.5Å; R237-R241 VanDerWaalsContact O-CG 3.29Å; R237-R241 WeakPolarHBondContact O-CG 3.33Å; R237-R241 PolarHBondContact O-N 3.25Å; R241-H245 PolarHBondContact O-N 3.42Å |
| 242 | K | 58 | Low | 63.3 | Low | 143 Ų | 143 | 131.7 Ų | 131.7 | 62% | 0.622 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -67 | -45 | 173.1 | -77.3 | -177.7 | 173.7 | -160.2 | 0 | 111.6 | K238 R239 S240 A244 H245 | K238-K242 WeakPolarHBondContact O-CG 3.28Å; K238-K242 PolarHBondContact O-N 2.83Å; R239-K242 WeakPolarHBondContact O-CB 3.08Å; R239-K242 PolarHBondContact O-N 3.24Å; R239-K242 VanDerWaalsContact O-N 3.16Å; S240-K242 VanDerWaalsContact C-N 3.33Å; S240-K242 PolarHBondContact O-N 2.82Å; K242-A244 VanDerWaalsContact C-N 3.32Å; K242-A244 PolarHBondContact O-N 3.24Å; K242-H245 WeakPolarHBondContact O-CB 3.35Å; K242-H245 PolarHBondContact O-N 2.98Å; K242-H245 VanDerWaalsContact O-N 3.17Å |
| 243 | N | 57 | Low | 60.6 | Low | 103 Ų | 103 | 134.4 Ų | 134.4 | 55% | 0.551 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -65.1 | -36 | 176.7 | -65.2 | 9.4 | 0 | 0 | 0 | 111.8 | R239 S240 H245 S246 | R239-N243 VanDerWaalsContact O-CG 3.29Å; R239-N243 PolarHBondContact O-N 3.4Å; R239-N243 PolarHBondContact O-OD1 3.13Å; R239-N243 VanDerWaalsContact O-OD1 3.13Å; S240-N243 PolarHBondContact O-N 3.23Å; N243-H245 PolarHBondContact O-N 3.33Å; N243-S246 PolarHBondContact O-N 3.48Å |
| 244 | A | 53.9 | Low | 57.6 | Low | 68 Ų | 68 | 135 Ų | 135 | 56% | 0.562 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -68.6 | -18.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | S240 K242 | S240-A244 WeakPolarHBondContact O-CB 3.46Å; S240-A244 PolarHBondContact O-N 3.2Å; K242-A244 VanDerWaalsContact C-N 3.32Å; K242-A244 PolarHBondContact O-N 3.24Å |
| 245 | H | 50.6 | Low | 55 | Low | 173 Ų | 173 | 138.3 Ų | 138.3 | 80% | 0.801 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | -6.7 | 171.4 | -162.4 | 60.2 | 0 | 0 | 0 | 112.8 | R241 K242 N243 | R241-H245 PolarHBondContact O-N 3.42Å; K242-H245 WeakPolarHBondContact O-CB 3.35Å; K242-H245 PolarHBondContact O-N 2.98Å; K242-H245 VanDerWaalsContact O-N 3.17Å; N243-H245 PolarHBondContact O-N 3.33Å |
| 246 | S | 49.3 | Very low | 52.4 | Low | 105 Ų | 105 | 135.9 Ų | 135.9 | 73% | 0.734 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.8 | 5.6 | 179.2 | -55.5 | 0 | 0 | 0 | 0 | 113.7 | N243 | N243-S246 PolarHBondContact O-N 3.48Š|
| 247 | Q | 42.2 | Very low | 50 | Low | 170 Ų | 170 | 136.6 Ų | 136.6 | 79% | 0.794 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -115.1 | 130.2 | 173.3 | -105.9 | 178.1 | -16.7 | 0 | 0 | 111.7 | ||
| 248 | A | 34.8 | Very low | 47.4 | Very low | 93 Ų | 93 | 136.4 Ų | 136.4 | 77% | 0.769 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 145 | -163 | 0 | 0 | 0 | 0 | 0 | 116.2 | P250 | A248-P250 WeakPolarHBondContact O-CD 3.36Š|
| 249 | R | 37.7 | Very low | 45 | Very low | 234 Ų | 234 | 135.1 Ų | 135.1 | 88% | 0.883 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 126.3 | 148.7 | -73 | 174.3 | 167.5 | 170.7 | -5.7 | 108.8 | ||
| 250 | P | 38.9 | Very low | 42.9 | Very low | 123 Ų | 123 | 133.1 Ų | 133.1 | 80% | 0.799 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 120.4 | 146.2 | 30.5 | -27.9 | 0 | 0 | 0 | 108.3 | A248 A252 | A248-P250 WeakPolarHBondContact O-CD 3.36Å; P250-A252 PolarHBondContact O-N 3.17Å |
| 251 | S | 35.7 | Very low | 41.5 | Very low | 103 Ų | 103 | 136.1 Ų | 136.1 | 72% | 0.72 | 77% | 0.772 | S | S | * | * | trans | -67.4 | 115.4 | 178.8 | -55.5 | 0 | 0 | 0 | 0 | 110.8 | L253 | S251-L253 PolarHBondContact O-N 3.35Å; S251-L253 VanDerWaalsContact O-N 3.1Å | ||
| 252 | A | 35.8 | Very low | 39.8 | Very low | 99 Ų | 99 | 135.8 Ų | 135.8 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | trans | -71 | 101.7 | 165.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | P250 S254 | P250-A252 PolarHBondContact O-N 3.17Å; A252-S254 PolarHBondContact O-N 3.27Å | ||
| 253 | L | 37.3 | Very low | 38.6 | Very low | 160 Ų | 160 | 137.1 Ų | 137.1 | 84% | 0.838 | 79% | 0.789 | S | S | * | * | trans | -73.6 | 109.7 | 173.8 | -76.4 | 167.5 | 0 | 0 | 0 | 109.6 | S251 L255 | S251-L253 PolarHBondContact O-N 3.35Å; S251-L253 VanDerWaalsContact O-N 3.1Å; L253-L255 PolarHBondContact O-N 3.46Å | ||
| 254 | S | 31.8 | Very low | 37.6 | Very low | 114 Ų | 114 | 138.2 Ų | 138.2 | 80% | 0.797 | 80% | 0.802 | S | S | * | * | trans | -67.9 | 108.2 | 171.1 | -59.4 | 0 | 0 | 0 | 0 | 110.2 | A252 S256 | A252-S254 PolarHBondContact O-N 3.27Å; S254-S256 PolarHBondContact O-N 3.06Å; S254-S256 VanDerWaalsContact O-N 3.11Å | ||
| 255 | L | 36.5 | Very low | 36.5 | Very low | 175 Ų | 175 | 138.7 Ų | 138.7 | 92% | 0.916 | 81% | 0.814 | S | S | * | * | trans | -81.7 | 85.6 | 173.2 | -149.2 | 94.7 | 0 | 0 | 0 | 109.6 | L253 | L253-L255 PolarHBondContact O-N 3.46Š| ||
| 256 | S | 37.6 | Very low | 35.6 | Very low | 102 Ų | 102 | 134.1 Ų | 134.1 | 71% | 0.713 | 81% | 0.813 | S | S | * | * | trans | -155.9 | 80 | 178.4 | -68.3 | 0 | 0 | 0 | 0 | 111.8 | S254 | S254-S256 PolarHBondContact O-N 3.06Å; S254-S256 VanDerWaalsContact O-N 3.11Å | ||
| 257 | T | 33.1 | Very low | 34.8 | Very low | 135 Ų | 135 | 135.7 Ų | 135.7 | 83% | 0.828 | 82% | 0.819 | S | S | * | * | trans | 174.4 | 110.3 | 146.3 | 44.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 258 | L | 31.6 | Very low | 34.5 | Very low | 178 Ų | 178 | 132.7 Ų | 132.7 | 93% | 0.932 | 82% | 0.823 | S | S | * | * | trans | -171 | 108.3 | 138.1 | -132.6 | 78.7 | 0 | 0 | 0 | 111.2 | ||||
| 259 | S | 31.5 | Very low | 34.4 | Very low | 112 Ų | 112 | 131.8 Ų | 131.8 | 78% | 0.783 | 82% | 0.822 | S | S | * | * | trans | -160.3 | 130 | 146.4 | 49.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 260 | N | 34.2 | Very low | 34.2 | Very low | 137 Ų | 137 | 127.3 Ų | 127.3 | 73% | 0.733 | 82% | 0.822 | S | S | * | * | trans | 67.4 | 128.7 | 169 | -65 | 25.3 | 0 | 0 | 0 | 118 | ||||
| 261 | P | 37.5 | Very low | 34.5 | Very low | 139 Ų | 139 | 130.6 Ų | 130.6 | 90% | 0.903 | 83% | 0.826 | S | S | * | * | -102.1 | 168.7 | 86.6 | -14.6 | 30.5 | 0 | 0 | 0 | 114.8 | |||||
| 262 | K | 30.7 | Very low | 34.7 | Very low | 185 Ų | 185 | 131.5 Ų | 131.5 | 80% | 0.804 | 83% | 0.83 | S | S | * | * | trans | -110 | 128 | -174.1 | 175.7 | 175.6 | -176.4 | 169.9 | 0 | 109.8 | ||||
| 263 | L | 32.3 | Very low | 34.9 | Very low | 172 Ų | 172 | 132.2 Ų | 132.2 | 90% | 0.901 | 83% | 0.828 | S | S | * | * | trans | -152.1 | 152.9 | 161.3 | -127.7 | 74.8 | 0 | 0 | 0 | 110 | ||||
| 264 | P | 36.3 | Very low | 34.8 | Very low | 126 Ų | 126 | 131.8 Ų | 131.8 | 82% | 0.818 | 83% | 0.827 | S | S | * | * | trans | -112.7 | 169.5 | -165.7 | 41.2 | -32.5 | 0 | 0 | 0 | 115.8 | ||||
| 265 | G | 32 | Very low | 35.2 | Very low | 78 Ų | 78 | 133.8 Ų | 133.8 | 80% | 0.804 | 83% | 0.827 | S | S | * | * | trans | 109.9 | 108.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 266 | G | 31.5 | Very low | 35.4 | Very low | 77 Ų | 77 | 132.2 Ų | 132.2 | 79% | 0.794 | 82% | 0.818 | S | S | * | * | 86.9 | 127.9 | 89.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 267 | T | 33 | Very low | 35.7 | Very low | 138 Ų | 138 | 134.3 Ų | 134.3 | 85% | 0.847 | 82% | 0.82 | S | S | * | * | cis | -162.4 | 171.5 | 20.9 | 40.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 268 | A | 35.1 | Very low | 36.1 | Very low | 106 Ų | 106 | 132.4 Ų | 132.4 | 88% | 0.876 | 81% | 0.81 | S | S | * | * | trans | 71 | 131.6 | 168.1 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 269 | G | 32 | Very low | 36.6 | Very low | 74 Ų | 74 | 132 Ų | 132 | 76% | 0.763 | 81% | 0.808 | S | S | * | * | trans | -108.6 | 157.8 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 270 | T | 34.9 | Very low | 37 | Very low | 141 Ų | 141 | 137.4 Ų | 137.4 | 87% | 0.865 | 81% | 0.811 | S | S | * | * | trans | -147.7 | 130.1 | 149.1 | 24.3 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 271 | E | 43.7 | Very low | 37.2 | Very low | 191 Ų | 191 | 136.3 Ų | 136.3 | 89% | 0.893 | 81% | 0.81 | S | S | * | * | trans | -78.4 | 142.4 | -170.1 | -58.1 | -177.4 | 130.2 | 0 | 0 | 112.6 | ||||
| 272 | P | 40.7 | Very low | 37.5 | Very low | 123 Ų | 123 | 137.3 Ų | 137.3 | 80% | 0.799 | 80% | 0.802 | S | S | * | * | trans | -106.9 | 125.2 | 154.9 | 33.5 | -23.9 | 0 | 0 | 0 | 110.5 | ||||
| 273 | S | 39.9 | Very low | 37.7 | Very low | 113 Ų | 113 | 136.3 Ų | 136.3 | 79% | 0.79 | 81% | 0.805 | S | S | * | * | trans | -68.3 | 142.1 | -172.8 | -47.4 | 0 | 0 | 0 | 0 | 114.3 | I275 | S273-I275 PolarHBondContact O-N 3.25Š| ||
| 274 | D | 35.2 | Very low | 38.5 | Very low | 151 Ų | 151 | 135.7 Ų | 135.7 | 81% | 0.807 | 80% | 0.803 | S | S | * | * | trans | -62.3 | 116.8 | 174.2 | -67.9 | -60.1 | 0 | 0 | 0 | 112.5 | I276 | D274-I276 HydrophobicContact CB-CG1 4.45Å; D274-I276 PolarHBondContact O-N 3.03Å | ||
| 275 | I | 40.2 | Very low | 38.5 | Very low | 157 Ų | 157 | 140.2 Ų | 140.2 | 81% | 0.805 | 81% | 0.805 | S | S | * | * | trans | -86 | 89.7 | 162 | -61.6 | -179.1 | 0 | 0 | 0 | 108.3 | S273 I277 | S273-I275 PolarHBondContact O-N 3.25Å; I275-I277 PolarHBondContact O-N 2.94Å | ||
| 276 | I | 40 | Very low | 38.6 | Very low | 142 Ų | 142 | 142 Ų | 142 | 73% | 0.728 | 80% | 0.804 | S | S | * | * | trans | -63.8 | 115.5 | 165.6 | -61.1 | 171.5 | 0 | 0 | 0 | 107.9 | D274 P278 | D274-I276 HydrophobicContact CB-CG1 4.45Å; D274-I276 PolarHBondContact O-N 3.03Å; I276-P278 VanDerWaalsContact O-CD 3.26Å; I276-P278 WeakPolarHBondContact O-CD 3.26Å | ||
| 277 | I | 43.9 | Very low | 39.3 | Very low | 146 Ų | 146 | 144 Ų | 144 | 75% | 0.749 | 80% | 0.803 | S | S | * | * | trans | -84.1 | 111.1 | 168.9 | -58.7 | 174 | 0 | 0 | 0 | 107.7 | I275 L279 | I275-I277 PolarHBondContact O-N 2.94Å; I277-L279 PolarHBondContact O-N 3.12Å | ||
| 278 | P | 41.2 | Very low | 39.4 | Very low | 94 Ų | 94 | 145.8 Ų | 145.8 | 61% | 0.61 | 80% | 0.801 | S | S | * | * | trans | -77.7 | 117.9 | 178.3 | 31 | -32.6 | 0 | 0 | 0 | 110.4 | I276 R280 | I276-P278 VanDerWaalsContact O-CD 3.26Å; I276-P278 WeakPolarHBondContact O-CD 3.26Å; P278-R280 PolarHBondContact O-N 2.94Å | ||
| 279 | L | 43.5 | Very low | 39.7 | Very low | 170 Ų | 170 | 151.2 Ų | 151.2 | 89% | 0.89 | 80% | 0.801 | S | S | * | * | trans | -70.9 | 113.6 | 158.5 | -70.8 | 170.1 | 0 | 0 | 0 | 108.4 | I277 | I277-L279 PolarHBondContact O-N 3.12Š| ||
| 280 | R | 39.9 | Very low | 40.3 | Very low | 225 Ų | 225 | 155 Ų | 155 | 85% | 0.849 | 80% | 0.799 | S | S | * | * | trans | -129.7 | 96.4 | 162.3 | -94.1 | -169.2 | 168.6 | 84.1 | -0.1 | 111.4 | P278 | P278-R280 PolarHBondContact O-N 2.94Š| ||
| 281 | T | 38.5 | Very low | 40.8 | Very low | 115 Ų | 115 | 157.6 Ų | 157.6 | 71% | 0.706 | 80% | 0.798 | S | S | * | * | trans | -7.9 | 149.2 | 134.5 | 28.8 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 282 | E | 42.4 | Very low | 40.8 | Very low | 160 Ų | 160 | 154.6 Ų | 154.6 | 75% | 0.748 | 79% | 0.792 | S | S | * | * | trans | 56.8 | 104 | 156.4 | -54.4 | -50.5 | 116 | 0 | 0 | 118.5 | ||||
| 283 | N | 36.3 | Very low | 40.9 | Very low | 163 Ų | 163 | 154.6 Ų | 154.6 | 87% | 0.872 | 80% | 0.795 | S | S | * | * | -175.8 | 146.9 | 117.6 | -91.8 | -37 | 0 | 0 | 0 | 112.7 | Y285 | N283-Y285 PolarHBondContact O-N 3.28Š| |||
| 284 | N | 48.2 | Very low | 41.6 | Very low | 159 Ų | 159 | 152.6 Ų | 152.6 | 85% | 0.85 | 79% | 0.792 | S | S | * | * | trans | -55.4 | 129.7 | -176.8 | -73.1 | -12.4 | 0 | 0 | 0 | 113.9 | ||||
| 285 | Y | 36.3 | Very low | 42.1 | Very low | 221 Ų | 221 | 153.4 Ų | 153.4 | 87% | 0.867 | 80% | 0.797 | S | S | * | * | trans | -142.3 | 101.1 | 157.2 | -140.5 | 68.7 | 0 | 0 | 0 | 111.7 | N283 | N283-Y285 PolarHBondContact O-N 3.28Š| ||
| 286 | C | 35.3 | Very low | 42.3 | Very low | 116 Ų | 116 | 157.2 Ų | 157.2 | 78% | 0.784 | 80% | 0.803 | S | S | * | * | trans | -92.6 | 118.7 | 166.3 | -68.9 | 0 | 0 | 0 | 0 | 108.3 | H288 | C286-H288 PolarHBondContact O-N 3.24Š| ||
| 287 | P | 45.7 | Very low | 43 | Very low | 118 Ų | 118 | 153.4 Ų | 153.4 | 77% | 0.766 | 80% | 0.798 | S | S | * | * | trans | -69.9 | 104.4 | 171.3 | 27.8 | -31.7 | 0 | 0 | 0 | 109.4 | Y289 | P287-Y289 PolarHBondContact O-N 3.32Š| ||
| 288 | H | 35.1 | Very low | 42.5 | Very low | 176 Ų | 176 | 154.9 Ų | 154.9 | 82% | 0.815 | 80% | 0.802 | S | S | * | * | trans | -70.2 | 108.8 | 174.6 | -159 | -90.6 | 0 | 0 | 0 | 108.5 | C286 E290 | C286-H288 PolarHBondContact O-N 3.24Å; H288-E290 PolarHBondContact O-N 3.37Å; H288-E290 VanDerWaalsContact O-N 3.09Å | ||
| 289 | Y | 41.1 | Very low | 43.3 | Very low | 220 Ų | 220 | 155.1 Ų | 155.1 | 86% | 0.863 | 80% | 0.803 | S | S | * | * | trans | -80.7 | 93 | 178.9 | -155.7 | -87.7 | 0 | 0 | 0 | 109.7 | P287 K291 | P287-Y289 PolarHBondContact O-N 3.32Å; Y289-K291 PolarHBondContact O-N 3.28Å | ||
| 290 | E | 44.3 | Very low | 43.7 | Very low | 153 Ų | 153 | 153.1 Ų | 153.1 | 72% | 0.715 | 80% | 0.798 | S | S | * | * | trans | -70.6 | 127.6 | 174.8 | -171.4 | 161.4 | -179 | 0 | 0 | 110.6 | H288 V292 | H288-E290 PolarHBondContact O-N 3.37Å; H288-E290 VanDerWaalsContact O-N 3.09Å; E290-V292 PolarHBondContact O-N 3.39Å | ||
| 291 | K | 45.7 | Very low | 44 | Very low | 197 Ų | 197 | 151.9 Ų | 151.9 | 86% | 0.857 | 80% | 0.795 | S | S | * | * | trans | -86.8 | 77.3 | -170.6 | -165.5 | -177.7 | -173.2 | -178.2 | 0 | 110.3 | Y289 | Y289-K291 PolarHBondContact O-N 3.28Š| ||
| 292 | V | 42.7 | Very low | 44.9 | Very low | 127 Ų | 127 | 153.8 Ų | 153.8 | 77% | 0.77 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 138.1 | 170.8 | -79.7 | 0 | 0 | 0 | 0 | 111.2 | E290 | E290-V292 PolarHBondContact O-N 3.39Š|
| 293 | S | 44.5 | Very low | 45.4 | Very low | 123 Ų | 123 | 152 Ų | 152 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 152.7 | -175.7 | -60.4 | 0 | 0 | 0 | 0 | 112.7 | ||
| 294 | G | 54.2 | Low | 45.9 | Very low | 71 Ų | 71 | 152.4 Ų | 152.4 | 73% | 0.732 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 142.2 | -170 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 295 | D | 44.5 | Very low | 45.9 | Very low | 168 Ų | 168 | 153.2 Ų | 153.2 | 90% | 0.898 | 79% | 0.794 | S | S | * | * | trans | -147.8 | 120.6 | 137.4 | -100.9 | -36.5 | 0 | 0 | 0 | 108.1 | G297 | D295-G297 PolarHBondContact O-N 3.41Å; D295-G297 VanDerWaalsContact O-N 3.12Å | ||
| 296 | Y | 45.6 | Very low | 46.3 | Very low | 237 Ų | 237 | 151 Ų | 151 | 93% | 0.929 | 79% | 0.794 | S | S | * | * | trans | -83.3 | 89.7 | -175.7 | -118.7 | -86.5 | 0 | 0 | 0 | 110.3 | ||||
| 297 | G | 53.2 | Low | 47.2 | Very low | 62 Ų | 62 | 150.8 Ų | 150.8 | 64% | 0.639 | 79% | 0.791 | S | S | * | * | trans | -62.4 | 142.1 | 166.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | D295 | D295-G297 PolarHBondContact O-N 3.41Å; D295-G297 VanDerWaalsContact O-N 3.12Å | ||
| 298 | H | 35.2 | Very low | 47.6 | Very low | 177 Ų | 177 | 151.2 Ų | 151.2 | 82% | 0.819 | 79% | 0.794 | S | S | * | * | trans | -63.4 | 139.8 | 175.9 | -78.3 | 50.2 | 0 | 0 | 0 | 110.8 | V300 | H298-V300 PolarHBondContact O-N 3.35Å; H298-V300 VanDerWaalsContact O-N 3.15Å | ||
| 299 | P | 57.5 | Low | 48.4 | Very low | 99 Ų | 99 | 152 Ų | 152 | 64% | 0.643 | 80% | 0.798 | S | S | * | * | trans | -67.4 | 115 | 177.5 | 27.1 | -33.3 | 0 | 0 | 0 | 110.6 | Y301 | P299-Y301 PolarHBondContact O-N 3.32Š| ||
| 300 | V | 51.4 | Low | 48.8 | Very low | 129 Ų | 129 | 146.6 Ų | 146.6 | 78% | 0.782 | 79% | 0.792 | S | S | * | * | trans | -76 | 115.7 | 171.6 | 177.8 | 0 | 0 | 0 | 0 | 108.7 | H298 I302 | H298-V300 PolarHBondContact O-N 3.35Å; H298-V300 VanDerWaalsContact O-N 3.15Å; V300-I302 PolarHBondContact O-N 3.19Å | ||
| 301 | Y | 45.6 | Very low | 49.1 | Very low | 199 Ų | 199 | 144.8 Ų | 144.8 | 78% | 0.78 | 79% | 0.794 | S | S | * | * | trans | -76.8 | 105 | 170.6 | -66.3 | -86.5 | 0 | 0 | 0 | 109.4 | P299 V303 | P299-Y301 PolarHBondContact O-N 3.32Å; Y301-V303 PolarHBondContact O-N 3.29Å | ||
| 302 | I | 58.9 | Low | 49.1 | Very low | 154 Ų | 154 | 139.6 Ų | 139.6 | 79% | 0.79 | 79% | 0.788 | S | S | * | * | trans | -77.6 | 104.2 | 168.9 | -54.5 | 175.5 | 0 | 0 | 0 | 107.4 | V300 Q304 | V300-I302 PolarHBondContact O-N 3.19Å; I302-Q304 PolarHBondContact O-N 3.1Å | ||
| 303 | V | 51.6 | Low | 49.1 | Very low | 122 Ų | 122 | 140.3 Ų | 140.3 | 74% | 0.739 | 79% | 0.787 | S | S | * | * | trans | -74.4 | 106.7 | 171.3 | 177 | 0 | 0 | 0 | 0 | 107.9 | Y301 E305 | Y301-V303 PolarHBondContact O-N 3.29Å; V303-E305 PolarHBondContact O-N 3.41Å | ||
| 304 | Q | 47.6 | Very low | 49.3 | Very low | 172 Ų | 172 | 140.3 Ų | 140.3 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | trans | -77.5 | 100.6 | 171.4 | -172 | 172.7 | 2.6 | 0 | 0 | 108.7 | I302 M306 | I302-Q304 PolarHBondContact O-N 3.1Å; Q304-M306 PolarHBondContact O-N 3.11Å | ||
| 305 | E | 47.3 | Very low | 49.2 | Very low | 176 Ų | 176 | 147 Ų | 147 | 82% | 0.822 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 122.5 | 173.3 | -66.4 | -167.9 | 157.2 | 0 | 0 | 109.9 | V303 | V303-E305 PolarHBondContact O-N 3.41Š|
| 306 | M | 45.9 | Very low | 49 | Very low | 174 Ų | 174 | 148.6 Ų | 148.6 | 86% | 0.857 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 134.6 | 172.2 | -64.5 | -177.3 | -168.6 | 0 | 0 | 108.9 | Q304 | Q304-M306 PolarHBondContact O-N 3.11Š|
| 307 | P | 54.4 | Low | 49.1 | Very low | 113 Ų | 113 | 147.1 Ų | 147.1 | 73% | 0.734 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 142.5 | 173.5 | 25.8 | -33.4 | 0 | 0 | 0 | 110.2 | Q309 | P307-Q309 PolarHBondContact O-N 3.27Š|
| 308 | P | 52.7 | Low | 48.9 | Very low | 127 Ų | 127 | 153.7 Ų | 153.7 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -62 | 132 | -174.7 | 24.1 | -33.6 | 0 | 0 | 0 | 111.4 | S310 | P308-S310 PolarHBondContact O-N 3.37Š|
| 309 | Q | 51.6 | Low | 49.5 | Very low | 191 Ų | 191 | 152.6 Ų | 152.6 | 89% | 0.893 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 132.6 | 172.5 | -74.3 | -169 | -5 | 0 | 0 | 110.2 | P307 | P307-Q309 PolarHBondContact O-N 3.27Š|
| 310 | S | 50.6 | Low | 49.1 | Very low | 107 Ų | 107 | 155.4 Ų | 155.4 | 75% | 0.748 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 141 | 169.2 | 45.9 | 0 | 0 | 0 | 0 | 110.5 | P308 A312 | P308-S310 PolarHBondContact O-N 3.37Å; S310-A312 PolarHBondContact O-N 3.24Å |
| 311 | P | 50.9 | Low | 49 | Very low | 116 Ų | 116 | 156.8 Ų | 156.8 | 75% | 0.753 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -68 | 129.9 | 179.9 | 26.8 | -33.5 | 0 | 0 | 0 | 110.9 | N313 | P311-N313 PolarHBondContact O-N 3.11Š|
| 312 | A | 46.1 | Very low | 49.2 | Very low | 88 Ų | 88 | 154.4 Ų | 154.4 | 73% | 0.727 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 120 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | S310 I314 | S310-A312 PolarHBondContact O-N 3.24Å; A312-I314 PolarHBondContact O-N 3.29Å; A312-I314 VanDerWaalsContact O-N 3.11Å |
| 313 | N | 41.5 | Very low | 48.6 | Very low | 141 Ų | 141 | 154.4 Ų | 154.4 | 75% | 0.754 | 81% | 0.814 | S | S | * | * | trans | -68.6 | 105.6 | 173.5 | -73.9 | -41.8 | 0 | 0 | 0 | 110.4 | P311 Y315 | P311-N313 PolarHBondContact O-N 3.11Å; N313-Y315 HydrophobicContact CB-CE2 4.23Å | ||
| 314 | I | 49.6 | Very low | 48.4 | Very low | 124 Ų | 124 | 156.5 Ų | 156.5 | 64% | 0.636 | 82% | 0.819 | S | S | * | * | trans | -89.8 | 104.3 | 172.7 | -58.8 | 174.5 | 0 | 0 | 0 | 108.5 | A312 Y316 | A312-I314 PolarHBondContact O-N 3.29Å; A312-I314 VanDerWaalsContact O-N 3.11Å; I314-Y316 HydrophobicContact CG2-CD2 4.23Å; I314-Y316 HydrophobicContact CG2-CE2 3.83Å | ||
| 315 | Y | 51.9 | Low | 48.4 | Very low | 211 Ų | 211 | 155.4 Ų | 155.4 | 83% | 0.827 | 82% | 0.82 | S | S | * | * | trans | -81.7 | 114.9 | 166.9 | -73.8 | -88.2 | 0 | 0 | 0 | 109.7 | N313 | N313-Y315 HydrophobicContact CB-CE2 4.23Š| ||
| 316 | Y | 41 | Very low | 48.5 | Very low | 201 Ų | 201 | 153.8 Ų | 153.8 | 79% | 0.788 | 82% | 0.82 | S | S | * | * | trans | -78.7 | 122 | 164.1 | -68.9 | -85.7 | 0 | 0 | 0 | 108.9 | I314 | I314-Y316 HydrophobicContact CG2-CD2 4.23Å; I314-Y316 HydrophobicContact CG2-CE2 3.83Å | ||
| 317 | K | 46.3 | Very low | 48.8 | Very low | 207 Ų | 207 | 152.2 Ų | 152.2 | 90% | 0.9 | 82% | 0.816 | S | S | * | * | trans | -82.3 | 119.1 | 168.9 | -175.1 | 175.3 | -179.3 | 179.1 | 0 | 108.5 | ||||
| 318 | V | 48.6 | Very low | 48.2 | Very low | 200 Ų | 200 | 155.7 Ų | 155.7 | 100% | 1.212 | 82% | 0.824 | S | S | * | * | trans | -85.2 | 0 | 167.6 | -159 | 0 | 0 | 0 | 0 | 109.1 |
Retrieved 318 of 318 residues in 156 ms
(Link to these results)