| 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 | 60.5 | Low | 81.3 | Confident | 163 Ų | 163 | 111.9 Ų | 111.9 | 80% | 0.803 | 56% | 0.556 | S | S | * | * | 0 | 146.7 | 0 | -70.5 | -180 | -175.5 | 0 | 0 | 106.5 | Y6 F8 V28 | M1-Y6 HydrophobicContact CB-CE2 3.9Å; M1-Y6 HydrophobicContact SD-CD2 4.19Å; M1-Y6 HydrophobicContact SD-CE2 4.37Å; M1-F8 HydrophobicContact CE-CZ 4.43Å; M1-V28 HydrophobicContact CB-CG2 3.96Å; M1-V28 HydrophobicContact SD-CG2 4.2Å | |||
| 2 | Q | 70.5 | Confident | 81.5 | Confident | 164 Ų | 164 | 109.9 Ų | 109.9 | 77% | 0.766 | 55% | 0.554 | S | S | * | * | trans | -70.8 | 161.8 | 172.3 | -74.2 | 173.8 | -31.8 | 0 | 0 | 108.9 | G4 Y6 | Q2-G4 PolarHBondContact O-N 2.84Å; Q2-Y6 PolarHBondContact N-OH 3.42Å; Q2-Y6 VanDerWaalsContact O-CE2 3.23Å; Q2-Y6 WeakPolarHBondContact O-CE2 3.37Å; Q2-Y6 PolarHBondContact O-OH 3.2Å | ||
| 3 | E | 75.3 | Confident | 82 | Confident | 141 Ų | 141 | 106.8 Ų | 106.8 | 66% | 0.659 | 55% | 0.545 | S | S | * | . | S | Bend | trans | -59.4 | 135.7 | 175.8 | -64.8 | 175 | -176.2 | 0 | 0 | 110.2 | ||
| 4 | G | 77.4 | Confident | 82.2 | Confident | 30 Ų | 30 | 104.4 Ų | 104.4 | 31% | 0.309 | 53% | 0.533 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 147.3 | 170.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q2 Y6 V28 | Q2-G4 PolarHBondContact O-N 2.84Å; G4-Y6 WeakPolarHBondContact O-CD2 3.45Å; G4-V28 PolarHBondContact N-O 2.82Å; G4-V28 PolarHBondContact O-N 3.39Å |
| 5 | D | 84.4 | Confident | 82.4 | Confident | 115 Ų | 115 | 106.2 Ų | 106.2 | 62% | 0.615 | 56% | 0.559 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -95.2 | 106.3 | -178.2 | -65.1 | -11.9 | 0 | 0 | 0 | 109.8 | I27 | D5-I27 WeakPolarHBondContact OD1-CG2 3.37Å |
| 6 | Y | 87.5 | Confident | 82.4 | Confident | 74 Ų | 74 | 104.9 Ų | 104.9 | 29% | 0.29 | 56% | 0.561 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -93.9 | 115.6 | 178 | -62.9 | -86.9 | 0 | 0 | 0 | 109.8 | M1 Q2 G4 T25 V26 V28 | M1-Y6 HydrophobicContact CB-CE2 3.9Å; M1-Y6 HydrophobicContact SD-CD2 4.19Å; M1-Y6 HydrophobicContact SD-CE2 4.37Å; Q2-Y6 PolarHBondContact N-OH 3.42Å; Q2-Y6 VanDerWaalsContact O-CE2 3.23Å; Q2-Y6 WeakPolarHBondContact O-CE2 3.37Å; Q2-Y6 PolarHBondContact O-OH 3.2Å; G4-Y6 WeakPolarHBondContact O-CD2 3.45Å; Y6-T25 WeakPolarHBondContact O-CA 3.25Å; Y6-V26 PolarHBondContact N-O 2.93Å; Y6-V26 PolarHBondContact O-N 3.23Å; Y6-V28 HydrophobicContact CD2-CG2 3.91Å; Y6-V28 HydrophobicContact CE2-CB 4.44Å; Y6-V28 HydrophobicContact CE2-CG2 3.89Å |
| 7 | T | 85.9 | Confident | 82.2 | Confident | 91 Ų | 91 | 111.9 Ų | 111.9 | 56% | 0.558 | 58% | 0.578 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -100.8 | 115.7 | 176.4 | -54.6 | 0 | 0 | 0 | 0 | 109.5 | V23 T25 | T7-V23 HydrophobicContact CG2-CG1 3.2Å; T7-T25 HydrophobicContact CG2-CG2 4.03Å |
| 8 | F | 87.5 | Confident | 82.3 | Confident | 99 Ų | 99 | 113.2 Ų | 113.2 | 43% | 0.434 | 58% | 0.581 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -103.8 | 127.6 | 176.4 | -57.8 | -88 | 0 | 0 | 0 | 109.6 | M1 V23 V24 V26 | M1-F8 HydrophobicContact CE-CZ 4.43Å; F8-V23 WeakPolarHBondContact O-CA 3.31Å; F8-V24 HydrophobicContact CB-CG1 3.95Å; F8-V24 HydrophobicContact CD2-CG1 4.34Å; F8-V24 PolarHBondContact N-O 3.49Å; F8-V24 PolarHBondContact O-N 2.83Å; F8-V26 HydrophobicContact CD2-CG2 4.06Å; F8-V26 HydrophobicContact CE2-CB 4.2Å; F8-V26 HydrophobicContact CE2-CG2 3.9Å |
| 9 | Q | 89.8 | Confident | 82.6 | Confident | 129 Ų | 129 | 113.2 Ų | 113.2 | 60% | 0.603 | 58% | 0.578 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -102.5 | 112.2 | 174.7 | -174 | 175.9 | 0.9 | 0 | 0 | 109.3 | T21 A22 V23 | Q9-T21 HydrophobicContact CG-CG2 4.48Å; Q9-A22 CarbonylContact C-O 3.58Å; Q9-V23 HydrophobicContact CG-CG2 4.26Å |
| 10 | L | 86.2 | Confident | 83 | Confident | 113 Ų | 113 | 111.8 Ų | 111.8 | 59% | 0.592 | 58% | 0.579 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -85.1 | 123 | 169.1 | 179.6 | 64.3 | 0 | 0 | 0 | 108.6 | V12 T21 A22 | L10-V12 HydrophobicContact CD1-CG2 4.45Å; L10-V12 HydrophobicContact CD2-CG2 3.98Å; L10-V12 HydrophobicContact CG-CG2 3.9Å; L10-T21 CarbonylContact O-C 3.57Å; L10-T21 VanDerWaalsContact O-CA 3.24Å; L10-T21 WeakPolarHBondContact O-CA 3.46Å; L10-A22 PolarHBondContact N-O 3.35Å; L10-A22 PolarHBondContact O-N 3.28Å |
| 11 | K | 88.9 | Confident | 83.3 | Confident | 112 Ų | 112 | 109.9 Ų | 109.9 | 49% | 0.487 | 57% | 0.573 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -114.8 | 111 | 174.6 | -176.3 | 170.3 | 178.8 | 177.5 | 0 | 109.3 | T21 | K11-T21 HydrophobicContact CB-CG2 3.97Å; K11-T21 HydrophobicContact CD-CG2 4.2Å; K11-T21 HydrophobicContact CG-CG2 3.81Å |
| 12 | V | 84.5 | Confident | 84.6 | Confident | 88 Ų | 88 | 105 Ų | 105 | 53% | 0.533 | 56% | 0.558 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -100 | 129.2 | 178.5 | -165.9 | 0 | 0 | 0 | 0 | 108.2 | L10 Q19 S20 | L10-V12 HydrophobicContact CD1-CG2 4.45Å; L10-V12 HydrophobicContact CD2-CG2 3.98Å; L10-V12 HydrophobicContact CG-CG2 3.9Å; V12-Q19 WeakPolarHBondContact O-CA 3.47Å; V12-S20 PolarHBondContact N-O 3.43Å; V12-S20 PolarHBondContact O-N 3.5Å |
| 13 | T | 87.6 | Confident | 85.5 | Confident | 70 Ų | 70 | 101.5 Ų | 101.5 | 43% | 0.429 | 55% | 0.548 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 130 | 178.2 | -50.8 | 0 | 0 | 0 | 0 | 109.1 | Q18 Q19 | T13-Q18 CarbonylContact C-O 3.57Å; T13-Q18 VanDerWaalsContact CA-O 3.26Å; T13-Q18 WeakPolarHBondContact CA-O 3.18Å; T13-Q19 HydrophobicContact CG2-CG 3.72Å; T13-Q19 WeakPolarHBondContact OG1-CG 3.47Å; T13-Q19 PolarHBondContact OG1-NE2 2.84Å |
| 14 | D | 85.3 | Confident | 86.2 | Confident | 72 Ų | 72 | 99 Ų | 99 | 39% | 0.385 | 54% | 0.542 | S | S | . | . | trans | -83.7 | 173.7 | 176.1 | 80 | 1 | 0 | 0 | 0 | 112.6 | S16 R17 Q18 | D14-S16 PolarHBondContact O-N 3.47Å; D14-S16 VanDerWaalsContact O-N 3.12Å; D14-S16 VanDerWaalsContact OD1-CA 3.27Å; D14-S16 WeakPolarHBondContact OD1-CA 3.36Å; D14-S16 WeakPolarHBondContact OD1-CB 3.41Å; D14-S16 PolarHBondContact OD1-N 3.41Å; D14-R17 PolarHBondContact O-N 3.26Å; D14-R17 PolarHBondContact OD1-N 2.83Å; D14-Q18 PolarHBondContact N-O 3.43Å; D14-Q18 PolarHBondContact OD1-N 3.2Å | ||
| 15 | S | 85.1 | Confident | 86.6 | Confident | 132 Ų | 132 | 101.8 Ų | 101.8 | 92% | 0.923 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.8 | -12.9 | 179.1 | 55 | 0 | 0 | 0 | 0 | 114 | ||
| 16 | S | 81.9 | Confident | 86.7 | Confident | 85 Ų | 85 | 99.1 Ų | 99.1 | 59% | 0.594 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101 | 13 | 176.2 | -59.3 | 0 | 0 | 0 | 0 | 112.9 | D14 Q18 | D14-S16 PolarHBondContact O-N 3.47Å; D14-S16 VanDerWaalsContact O-N 3.12Å; D14-S16 VanDerWaalsContact OD1-CA 3.27Å; D14-S16 WeakPolarHBondContact OD1-CA 3.36Å; D14-S16 WeakPolarHBondContact OD1-CB 3.41Å; D14-S16 PolarHBondContact OD1-N 3.41Å; S16-Q18 VanDerWaalsContact C-N 3.3Å; S16-Q18 PolarHBondContact O-N 3.28Å |
| 17 | R | 78.4 | Confident | 86.4 | Confident | 224 Ų | 224 | 100.3 Ų | 100.3 | 85% | 0.845 | 55% | 0.551 | S | S | * | * | trans | 64.9 | 18.3 | -178.3 | -50.2 | -166.1 | -159 | 147.3 | 2.7 | 116 | D14 | D14-R17 PolarHBondContact O-N 3.26Å; D14-R17 PolarHBondContact OD1-N 2.83Å | ||
| 18 | Q | 84.9 | Confident | 86.2 | Confident | 135 Ų | 135 | 98 Ų | 98 | 63% | 0.631 | 54% | 0.537 | S | S | * | . | trans | -79.1 | 142.8 | 171.2 | -60.7 | 179.4 | 48.6 | 0 | 0 | 109.8 | T13 D14 S16 | T13-Q18 CarbonylContact C-O 3.57Å; T13-Q18 VanDerWaalsContact CA-O 3.26Å; T13-Q18 WeakPolarHBondContact CA-O 3.18Å; D14-Q18 PolarHBondContact N-O 3.43Å; D14-Q18 PolarHBondContact OD1-N 3.2Å; S16-Q18 VanDerWaalsContact C-N 3.3Å; S16-Q18 PolarHBondContact O-N 3.28Å | ||
| 19 | Q | 88.9 | Confident | 85.6 | Confident | 113 Ų | 113 | 100.5 Ų | 100.5 | 53% | 0.528 | 55% | 0.55 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -127 | 133.6 | -171.9 | -62.1 | -176.2 | -30.5 | 0 | 0 | 111 | V12 T13 | V12-Q19 WeakPolarHBondContact O-CA 3.47Å; T13-Q19 HydrophobicContact CG2-CG 3.72Å; T13-Q19 WeakPolarHBondContact OG1-CG 3.47Å; T13-Q19 PolarHBondContact OG1-NE2 2.84Å |
| 20 | S | 89.2 | Confident | 84.7 | Confident | 86 Ų | 86 | 98.4 Ų | 98.4 | 60% | 0.601 | 55% | 0.547 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 143.3 | 167.8 | -175 | 0 | 0 | 0 | 0 | 109.2 | V12 | V12-S20 PolarHBondContact N-O 3.43Å; V12-S20 PolarHBondContact O-N 3.5Å |
| 21 | T | 88.9 | Confident | 83.9 | Confident | 71 Ų | 71 | 99.2 Ų | 99.2 | 44% | 0.436 | 55% | 0.548 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 132.1 | 179.6 | 55.9 | 0 | 0 | 0 | 0 | 110.7 | Q9 L10 K11 | Q9-T21 HydrophobicContact CG-CG2 4.48Å; L10-T21 CarbonylContact O-C 3.57Å; L10-T21 VanDerWaalsContact O-CA 3.24Å; L10-T21 WeakPolarHBondContact O-CA 3.46Å; K11-T21 HydrophobicContact CB-CG2 3.97Å; K11-T21 HydrophobicContact CD-CG2 4.2Å; K11-T21 HydrophobicContact CG-CG2 3.81Å |
| 22 | A | 88.9 | Confident | 83.4 | Confident | 61 Ų | 61 | 99.7 Ų | 99.7 | 50% | 0.504 | 56% | 0.556 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -115.9 | 145 | 168.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | Q9 L10 | Q9-A22 CarbonylContact C-O 3.58Å; L10-A22 PolarHBondContact N-O 3.35Å; L10-A22 PolarHBondContact O-N 3.28Å |
| 23 | V | 89.3 | Confident | 83.4 | Confident | 91 Ų | 91 | 97 Ų | 97 | 55% | 0.552 | 54% | 0.539 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 133.5 | 178.1 | -178.4 | 0 | 0 | 0 | 0 | 108.3 | T7 F8 Q9 | T7-V23 HydrophobicContact CG2-CG1 3.2Å; F8-V23 WeakPolarHBondContact O-CA 3.31Å; Q9-V23 HydrophobicContact CG-CG2 4.26Å |
| 24 | V | 89.9 | Confident | 83.4 | Confident | 87 Ų | 87 | 101.6 Ų | 101.6 | 53% | 0.527 | 55% | 0.548 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 131.8 | 170.7 | 80.3 | 0 | 0 | 0 | 0 | 109.2 | F8 | F8-V24 HydrophobicContact CB-CG1 3.95Å; F8-V24 HydrophobicContact CD2-CG1 4.34Å; F8-V24 PolarHBondContact N-O 3.49Å; F8-V24 PolarHBondContact O-N 2.83Å |
| 25 | T | 85.9 | Confident | 83.6 | Confident | 90 Ų | 90 | 101.8 Ų | 101.8 | 55% | 0.552 | 55% | 0.554 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -103.7 | 123.2 | 176.3 | 44.8 | 0 | 0 | 0 | 0 | 109.4 | Y6 T7 | Y6-T25 WeakPolarHBondContact O-CA 3.25Å; T7-T25 HydrophobicContact CG2-CG2 4.03Å |
| 26 | V | 86.4 | Confident | 84 | Confident | 58 Ų | 58 | 95.7 Ų | 95.7 | 35% | 0.352 | 51% | 0.511 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 111.7 | 172.7 | -178.4 | 0 | 0 | 0 | 0 | 107.6 | Y6 F8 V28 | Y6-V26 PolarHBondContact N-O 2.93Å; Y6-V26 PolarHBondContact O-N 3.23Å; F8-V26 HydrophobicContact CD2-CG2 4.06Å; F8-V26 HydrophobicContact CE2-CB 4.2Å; F8-V26 HydrophobicContact CE2-CG2 3.9Å; V26-V28 HydrophobicContact CG1-CG2 4.42Å |
| 27 | I | 81.9 | Confident | 84.7 | Confident | 100 Ų | 100 | 95.6 Ų | 95.6 | 51% | 0.513 | 51% | 0.507 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 115.5 | 178.2 | -60.3 | 175.1 | 0 | 0 | 0 | 107.6 | D5 Q29 | D5-I27 WeakPolarHBondContact OD1-CG2 3.37Å; I27-Q29 HydrophobicContact CG2-CG 3.81Å |
| 28 | V | 80.5 | Confident | 85.5 | Confident | 41 Ų | 41 | 85.5 Ų | 85.5 | 25% | 0.248 | 47% | 0.471 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 96.8 | 173.4 | -176 | 0 | 0 | 0 | 0 | 107.4 | M1 G4 Y6 V26 | M1-V28 HydrophobicContact CB-CG2 3.96Å; M1-V28 HydrophobicContact SD-CG2 4.2Å; G4-V28 PolarHBondContact N-O 2.82Å; G4-V28 PolarHBondContact O-N 3.39Å; Y6-V28 HydrophobicContact CD2-CG2 3.91Å; Y6-V28 HydrophobicContact CE2-CB 4.44Å; Y6-V28 HydrophobicContact CE2-CG2 3.89Å; V26-V28 HydrophobicContact CG1-CG2 4.42Å |
| 29 | Q | 74.9 | Confident | 86.1 | Confident | 153 Ų | 153 | 81.7 Ų | 81.7 | 72% | 0.715 | 46% | 0.456 | S | S | * | . | P | Polyproline II helix | trans | -74.4 | 149.4 | 179 | -65.7 | -171.7 | -4.7 | 0 | 0 | 111.3 | I27 | I27-Q29 HydrophobicContact CG2-CG 3.81Š|
| 30 | P | 70.6 | Confident | 86.2 | Confident | 84 Ų | 84 | 76.8 Ų | 76.8 | 55% | 0.545 | 44% | 0.436 | S | S | . | . | P | Polyproline II helix | trans | -59.9 | 146.2 | 171.5 | 26.4 | -34.3 | 0 | 0 | 0 | 110.3 | N32 | P30-N32 PolarHBondContact O-N 3.31Š|
| 31 | E | 70.6 | Confident | 86.3 | Confident | 130 Ų | 130 | 73.7 Ų | 73.7 | 61% | 0.607 | 42% | 0.417 | S | S | * | . | P | Polyproline II helix | trans | -63.3 | 125.6 | 175.8 | -164.9 | 169.9 | -144.9 | 0 | 0 | 109.2 | N33 H64 | E31-N33 PolarHBondContact O-N 3.44Å; E31-H64 IonicContact OE1-CD2 3.64Å; E31-H64 PolarHBondContact OE1-CD2 3.47Å; E31-H64 IonicContact OE1-NE2 3.02Å; E31-H64 PolarHBondContact OE1-NE2 2.9Å |
| 32 | N | 78.8 | Confident | 86.6 | Confident | 122 Ų | 122 | 75.4 Ų | 75.4 | 65% | 0.652 | 43% | 0.429 | S | S | * | . | trans | -79.2 | 86.5 | -179.6 | -176 | 26.2 | 0 | 0 | 0 | 109.3 | P30 | P30-N32 PolarHBondContact O-N 3.31Š| ||
| 33 | N | 83.4 | Confident | 87 | Confident | 33 Ų | 33 | 77.5 Ų | 77.5 | 18% | 0.176 | 43% | 0.432 | C | S | . | . | trans | -98.9 | 132.1 | -178.8 | -173.5 | 52.8 | 0 | 0 | 0 | 111.8 | E31 D63 H64 D108 Q110 L112 | E31-N33 PolarHBondContact O-N 3.44Å; N33-D63 PolarHBondContact OD1-OD1 2.92Å; N33-H64 PolarHBondContact OD1-ND1 2.78Å; N33-D108 PolarHBondContact ND2-OD2 2.96Å; N33-Q110 PolarHBondContact ND2-OE1 3.45Å; N33-L112 WeakPolarHBondContact ND2-CD1 3.28Å | ||
| 34 | R | 86.9 | Confident | 87.2 | Confident | 165 Ų | 165 | 75.9 Ų | 75.9 | 62% | 0.623 | 42% | 0.417 | S | S | * | . | trans | -105 | 153.8 | 175.8 | -66.1 | -179.2 | -177.9 | -176.5 | 2 | 110 | D63 | R34-D63 PolarHBondContact N-OD2 2.82Å; R34-D63 VanDerWaalsContact N-OD2 3.13Å | ||
| 35 | P | 89.4 | Confident | 87.5 | Confident | 77 Ų | 77 | 78.1 Ų | 78.1 | 50% | 0.5 | 42% | 0.422 | S | S | . | . | trans | -64.7 | 149.3 | 173.8 | 28.2 | -34.6 | 0 | 0 | 0 | 110.6 | L112 | P35-L112 HydrophobicContact CB-CB 4.04Å; P35-L112 HydrophobicContact CB-CD1 4.23Å | ||
| 36 | P | 95.2 | Very high | 87.8 | Confident | 3 Ų | 3 | 75.1 Ų | 75.1 | 2% | 0.019 | 40% | 0.403 | C | S | . | . | trans | -64.1 | 154.9 | 178.3 | 26.6 | -35.9 | 0 | 0 | 0 | 111.1 | D62 I66 V106 S114 | P36-D62 WeakPolarHBondContact CA-OD1 3.14Å; P36-D62 HydrophobicContact CB-CB 3.96Å; P36-D62 WeakPolarHBondContact CB-OD1 3.25Å; P36-I66 HydrophobicContact CB-CG1 4.24Å; P36-V106 HydrophobicContact CB-CG2 3.82Å; P36-V106 HydrophobicContact CG-CG2 3.91Å; P36-S114 WeakPolarHBondContact O-CB 3.4Å | ||
| 37 | V | 95.8 | Very high | 88 | Confident | 84 Ų | 84 | 77.1 Ų | 77.1 | 51% | 0.509 | 41% | 0.41 | S | S | . | . | B | Isolated β-bridge | trans | -102.2 | 105.6 | 173.3 | -177 | 0 | 0 | 0 | 0 | 108.8 | V39 S60 S61 | V37-V39 HydrophobicContact CG1-CG2 4.3Å; V37-S60 VanDerWaalsContact O-CA 3.28Å; V37-S60 WeakPolarHBondContact O-CA 3.36Å; V37-S60 WeakPolarHBondContact O-CB 3.34Å; V37-S61 PolarHBondContact N-O 2.98Å; V37-S61 PolarHBondContact O-N 3.24Å; V37-S61 VanDerWaalsContact O-N 3.08Å |
| 38 | A | 96.1 | Very high | 88.2 | Confident | 11 Ų | 11 | 76 Ų | 76 | 9% | 0.091 | 40% | 0.402 | C | S | . | . | trans | -71.9 | 128 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | V106 S116 | A38-V106 HydrophobicContact CB-CG2 3.69Å; A38-S116 WeakPolarHBondContact O-CB 3.23Å | ||
| 39 | V | 96.4 | Very high | 88.6 | Confident | 55 Ų | 55 | 79 Ų | 79 | 33% | 0.333 | 42% | 0.422 | S | S | . | . | trans | -128.8 | 95.8 | 172.9 | -176 | 0 | 0 | 0 | 0 | 108.1 | V37 G57 S60 | V37-V39 HydrophobicContact CG1-CG2 4.3Å; V39-G57 WeakPolarHBondContact O-CA 3.46Å; V39-S60 PolarHBondContact N-OG 2.76Å | ||
| 40 | A | 91.4 | Very high | 89.3 | Confident | 11 Ų | 11 | 75.3 Ų | 75.3 | 9% | 0.091 | 41% | 0.41 | C | S | . | . | trans | -74.9 | 126.8 | 165.3 | 0 | 0 | 0 | 0 | 0 | 106.6 | W71 L104 S116 L118 | A40-W71 HydrophobicContact CB-CH2 3.94Å; A40-W71 HydrophobicContact CB-CZ3 4.13Å; A40-L104 HydrophobicContact CB-CB 4.12Å; A40-L104 HydrophobicContact CB-CD2 4.48Å; A40-S116 WeakPolarHBondContact CB-OG 3.43Å; A40-S116 PolarHBondContact N-OG 3.38Å; A40-L118 HydrophobicContact CB-CB 4.14Å; A40-L118 HydrophobicContact CB-CD2 4.14Å; A40-L118 HydrophobicContact CB-CG 4.5Å | ||
| 41 | G | 91.8 | Very high | 90.4 | Very high | 20 Ų | 20 | 75.4 Ų | 75.4 | 21% | 0.206 | 40% | 0.403 | C | S | . | . | trans | -53.8 | 177.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | D56 | G41-D56 WeakPolarHBondContact CA-O 3.34Å; G41-D56 PolarHBondContact N-O 3.28Å | ||
| 42 | P | 95 | Very high | 91.5 | Very high | 107 Ų | 107 | 72.3 Ų | 72.3 | 70% | 0.695 | 40% | 0.396 | S | S | * | . | trans | -61.2 | 155.4 | -174 | 28 | -36.1 | 0 | 0 | 0 | 112.5 | ||||
| 43 | D | 96.2 | Very high | 92.3 | Very high | 106 Ų | 106 | 67 Ų | 67 | 57% | 0.567 | 37% | 0.369 | S | S | * | . | trans | -55.3 | 143.6 | 171.5 | -66.5 | -37.7 | 0 | 0 | 0 | 111.2 | T119 | D43-T119 CarbonylContact C-O 3.59Å; D43-T119 WeakPolarHBondContact CA-O 3.45Å; D43-T119 WeakPolarHBondContact CB-OG1 3.2Å; D43-T119 PolarHBondContact OD1-N 3.33Å; D43-T119 PolarHBondContact OD1-OG1 2.91Å | ||
| 44 | K | 94.8 | Very high | 92.9 | Very high | 56 Ų | 56 | 68.8 Ų | 68.8 | 24% | 0.243 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 139 | -176.3 | -59.9 | -167.5 | 175.4 | -159.9 | 0 | 111.4 | A53 T54 T119 V120 A121 | K44-A53 HydrophobicContact CD-CB 4.41Å; K44-T54 WeakPolarHBondContact CE-O 3.49Å; K44-T54 PolarHBondContact NZ-O 3.35Å; K44-T54 PolarHBondContact NZ-OG1 2.75Å; K44-T54 VanDerWaalsContact NZ-OG1 3.16Å; K44-T119 PolarHBondContact N-O 3.39Å; K44-V120 HydrophobicContact CB-CG1 4.35Å; K44-V120 HydrophobicContact CB-CG2 4.32Å; K44-V120 CarbonylContact O-C 3.5Å; K44-V120 WeakPolarHBondContact O-CA 3.48Å; K44-A121 PolarHBondContact O-N 2.03Å |
| 45 | E | 94.9 | Very high | 93.4 | Very high | 135 Ų | 135 | 61 Ų | 61 | 63% | 0.631 | 35% | 0.352 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114 | 129.7 | 167.6 | -61.4 | -159 | 160.4 | 0 | 0 | 109.9 | A121 K123 | E45-A121 CarbonylContact C-O 3.54Å; E45-A121 VanDerWaalsContact CA-O 3.32Å; E45-A121 WeakPolarHBondContact CA-O 3.48Å; E45-A121 HydrophobicContact CG-CB 4.46Å; E45-K123 IonicContact OE1-NZ 3.79Å; E45-K123 PolarHBondContact OE1-NZ 2.82Å; E45-K123 IonicContact OE2-NZ 3.83Å; E45-K123 PolarHBondContact OE2-NZ 3.32Å |
| 46 | L | 93 | Very high | 93.7 | Very high | 27 Ų | 27 | 60.2 Ų | 60.2 | 14% | 0.141 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 151.2 | 175.5 | -55.7 | 179.6 | 0 | 0 | 0 | 109.9 | V50 A53 L95 V120 A121 V122 K123 | L46-V50 HydrophobicContact CD1-CG1 4.48Å; L46-V50 HydrophobicContact CD2-CG1 4.36Å; L46-A53 HydrophobicContact CD1-CB 4.11Å; L46-L95 HydrophobicContact CD1-CD1 3.67Å; L46-V120 HydrophobicContact CD1-CG1 4.05Å; L46-V120 HydrophobicContact CG-CG1 4.24Å; L46-A121 PolarHBondContact N-O 3.33Å; L46-V122 HydrophobicContact CB-CG1 4.44Å; L46-V122 HydrophobicContact CB-CG2 4.18Å; L46-V122 HydrophobicContact CD1-CG2 4.09Å; L46-V122 WeakPolarHBondContact O-CA 3.31Å; L46-K123 PolarHBondContact O-N 3.26Å |
| 47 | I | 90.3 | Very high | 93.7 | Very high | 99 Ų | 99 | 60.1 Ų | 60.1 | 51% | 0.508 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 121.8 | 172.2 | -58.2 | 175 | 0 | 0 | 0 | 107.7 | V50 K123 E125 | I47-V50 WeakPolarHBondContact O-CB 3.46Å; I47-V50 WeakPolarHBondContact O-CG2 3.35Å; I47-V50 PolarHBondContact O-N 3.35Å; I47-K123 WeakPolarHBondContact CA-O 3.42Å; I47-E125 HydrophobicContact CG2-CB 3.95Å |
| 48 | F | 86.8 | Confident | 93.6 | Very high | 78 Ų | 78 | 59.1 Ų | 59.1 | 34% | 0.342 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.1 | 132.1 | 174.1 | -172.2 | -91.1 | 0 | 0 | 0 | 109.5 | E51 V97 V122 K123 | F48-E51 HydrophobicContact CD2-CG 4.46Å; F48-E51 HydrophobicContact CE2-CG 4.09Å; F48-E51 VanDerWaalsContact CE2-OE1 3.29Å; F48-E51 WeakPolarHBondContact CE2-OE1 3.24Å; F48-V97 HydrophobicContact CB-CG2 4.01Å; F48-V97 HydrophobicContact CD2-CG2 4.17Å; F48-V97 HydrophobicContact CG-CG2 4.1Å; F48-V122 HydrophobicContact CB-CG1 4.22Å; F48-K123 PolarHBondContact N-O 3.05Å |
| 49 | P | 88.3 | Confident | 93.6 | Very high | 103 Ų | 103 | 62.6 Ų | 62.6 | 67% | 0.669 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -98.2 | 25.4 | 23.6 | 39.1 | -38.1 | 0 | 0 | 0 | 115.7 | E51 | P49-E51 PolarHBondContact O-N 2.9Š|
| 50 | V | 90.4 | Very high | 93.5 | Very high | 76 Ų | 76 | 60.5 Ų | 60.5 | 46% | 0.461 | 35% | 0.351 | S | S | . | . | trans | -74.9 | 109.1 | 170.5 | -177.6 | 0 | 0 | 0 | 0 | 109.2 | L46 I47 | L46-V50 HydrophobicContact CD1-CG1 4.48Å; L46-V50 HydrophobicContact CD2-CG1 4.36Å; I47-V50 WeakPolarHBondContact O-CB 3.46Å; I47-V50 WeakPolarHBondContact O-CG2 3.35Å; I47-V50 PolarHBondContact O-N 3.35Å | ||
| 51 | E | 92.6 | Very high | 93.7 | Very high | 86 Ų | 86 | 63.2 Ų | 63.2 | 40% | 0.402 | 37% | 0.369 | S | S | . | . | trans | -106.5 | 12 | -173.2 | -58.9 | -176.4 | 174.3 | 0 | 0 | 113.8 | F48 P49 T93 G94 L95 | F48-E51 HydrophobicContact CD2-CG 4.46Å; F48-E51 HydrophobicContact CE2-CG 4.09Å; F48-E51 VanDerWaalsContact CE2-OE1 3.29Å; F48-E51 WeakPolarHBondContact CE2-OE1 3.24Å; P49-E51 PolarHBondContact O-N 2.9Å; E51-T93 CarbonylContact O-C 3.59Å; E51-T93 WeakPolarHBondContact O-CA 3.41Å; E51-G94 PolarHBondContact O-N 3.32Å; E51-G94 VanDerWaalsContact O-N 3.07Å; E51-L95 WeakPolarHBondContact CB-O 3.33Å; E51-L95 WeakPolarHBondContact CG-O 3.26Å; E51-L95 WeakPolarHBondContact O-CB 3.36Å; E51-L95 PolarHBondContact O-N 2.92Å | ||
| 52 | S | 94.4 | Very high | 93.8 | Very high | 64 Ų | 64 | 63.9 Ų | 63.9 | 45% | 0.448 | 37% | 0.368 | S | S | . | . | trans | -135.3 | 148.4 | -178.7 | 68 | 0 | 0 | 0 | 0 | 113.5 | V92 | S52-V92 CarbonylContact C-O 3.57Å; S52-V92 WeakPolarHBondContact CA-O 3.27Å; S52-V92 WeakPolarHBondContact CB-O 3.45Å | ||
| 53 | A | 95.8 | Very high | 93.5 | Very high | 11 Ų | 11 | 62.4 Ų | 62.4 | 9% | 0.091 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 150.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | K44 L46 V92 L95 V120 | K44-A53 HydrophobicContact CD-CB 4.41Å; L46-A53 HydrophobicContact CD1-CB 4.11Å; A53-V92 HydrophobicContact CB-CG1 3.96Å; A53-V92 PolarHBondContact N-O 3.49Å; A53-V92 WeakPolarHBondContact O-CG1 3.09Å; A53-V92 PolarHBondContact O-N 3.24Å; A53-L95 HydrophobicContact CB-CD1 4.13Å; A53-V120 HydrophobicContact CB-CG1 4.36Å |
| 54 | T | 96.3 | Very high | 93.1 | Very high | 71 Ų | 71 | 61.1 Ų | 61.1 | 44% | 0.436 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 142 | 165.7 | 51.3 | 0 | 0 | 0 | 0 | 109.7 | K44 A90 T91 | K44-T54 WeakPolarHBondContact CE-O 3.49Å; K44-T54 PolarHBondContact NZ-O 3.35Å; K44-T54 PolarHBondContact NZ-OG1 2.75Å; K44-T54 VanDerWaalsContact NZ-OG1 3.16Å; T54-A90 CarbonylContact C-O 3.23Å; T54-A90 WeakPolarHBondContact CA-O 3.5Å; T54-T91 HydrophobicContact CG2-CG2 3.82Å |
| 55 | L | 96.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 125.2 | 170.9 | -51 | -173.4 | 0 | 0 | 0 | 107.1 | W71 M82 I89 A90 V92 F102 L118 V120 | L55-W71 HydrophobicContact CB-CD2 4.13Å; L55-W71 HydrophobicContact CB-CE3 4.06Å; L55-W71 HydrophobicContact CB-CH2 3.84Å; L55-W71 HydrophobicContact CB-CZ2 3.91Å; L55-W71 HydrophobicContact CB-CZ3 3.92Å; L55-W71 HydrophobicContact CD1-CD2 4.15Å; L55-W71 HydrophobicContact CD1-CE3 3.72Å; L55-W71 HydrophobicContact CD1-CZ3 4.1Å; L55-M82 HydrophobicContact CD1-CE 3.88Å; L55-I89 VanDerWaalsContact O-CA 3.31Å; L55-I89 WeakPolarHBondContact O-CA 3.47Å; L55-A90 HydrophobicContact CB-CB 4.39Å; L55-A90 PolarHBondContact N-O 3.46Å; L55-A90 PolarHBondContact O-N 2.85Å; L55-V92 HydrophobicContact CD2-CG1 4.13Å; L55-V92 HydrophobicContact CG-CG1 4.3Å; L55-F102 HydrophobicContact CD1-CB 3.91Å; L55-F102 HydrophobicContact CD1-CD1 3.77Å; L55-F102 HydrophobicContact CD1-CD2 4.16Å; L55-F102 HydrophobicContact CD1-CE1 4.36Å; L55-F102 HydrophobicContact CD1-CG 3.66Å; L55-F102 HydrophobicContact CD2-CD2 4.29Å; L55-L118 HydrophobicContact CB-CD2 4.28Å; L55-L118 HydrophobicContact CD2-CD1 3.84Å; L55-L118 HydrophobicContact CD2-CD2 4.03Å; L55-V120 HydrophobicContact CD2-CG2 4.11Å |
| 56 | D | 95.9 | Very high | 92.7 | Very high | 62 Ų | 62 | 55.1 Ų | 55.1 | 33% | 0.332 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 118.2 | -174.2 | -171.1 | -3.6 | 0 | 0 | 0 | 110.3 | G41 S58 | G41-D56 WeakPolarHBondContact CA-O 3.34Å; G41-D56 PolarHBondContact N-O 3.28Å; D56-S58 WeakPolarHBondContact OD1-CB 3.29Å; D56-S58 PolarHBondContact OD1-N 3.42Å; D56-S58 PolarHBondContact OD1-OG 3.46Å; D56-S58 PolarHBondContact OD2-OG 2.93Å |
| 57 | G | 94.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 35% | 0.346 | C | S | . | . | trans | -115.8 | 7.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | V39 S59 S60 A88 | V39-G57 WeakPolarHBondContact O-CA 3.46Å; G57-S59 PolarHBondContact O-N 2.79Å; G57-S59 VanDerWaalsContact O-N 3.13Å; G57-S60 VanDerWaalsContact O-CB 3.27Å; G57-S60 WeakPolarHBondContact O-CB 3.38Å; G57-S60 PolarHBondContact O-N 3.42Å; G57-S60 PolarHBondContact O-OG 2.9Å; G57-A88 WeakPolarHBondContact CA-O 3.43Å; G57-A88 PolarHBondContact N-O 2.85Å | ||
| 58 | S | 94.4 | Very high | 93 | Very high | 63 Ų | 63 | 57.2 Ų | 57.2 | 44% | 0.441 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -17.4 | -174.6 | 62.9 | 0 | 0 | 0 | 0 | 114.3 | D56 S60 | D56-S58 WeakPolarHBondContact OD1-CB 3.29Å; D56-S58 PolarHBondContact OD1-N 3.42Å; D56-S58 PolarHBondContact OD1-OG 3.46Å; D56-S58 PolarHBondContact OD2-OG 2.93Å; S58-S60 PolarHBondContact O-N 3.25Å |
| 59 | S | 95.5 | Very high | 93.5 | Very high | 84 Ų | 84 | 55.3 Ų | 55.3 | 59% | 0.587 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | 0.6 | 173.7 | -60.9 | 0 | 0 | 0 | 0 | 113.6 | G57 | G57-S59 PolarHBondContact O-N 2.79Å; G57-S59 VanDerWaalsContact O-N 3.13Å |
| 60 | S | 95.4 | Very high | 93.9 | Very high | 12 Ų | 12 | 53.5 Ų | 53.5 | 8% | 0.084 | 31% | 0.312 | C | S | . | . | trans | -67.4 | 143.2 | 172.3 | -55.3 | 0 | 0 | 0 | 0 | 110.1 | V37 V39 G57 S58 I66 | V37-S60 VanDerWaalsContact O-CA 3.28Å; V37-S60 WeakPolarHBondContact O-CA 3.36Å; V37-S60 WeakPolarHBondContact O-CB 3.34Å; V39-S60 PolarHBondContact N-OG 2.76Å; G57-S60 VanDerWaalsContact O-CB 3.27Å; G57-S60 WeakPolarHBondContact O-CB 3.38Å; G57-S60 PolarHBondContact O-N 3.42Å; G57-S60 PolarHBondContact O-OG 2.9Å; S58-S60 PolarHBondContact O-N 3.25Å; S60-I66 VanDerWaalsContact CB-CD1 3.43Å | ||
| 61 | S | 94.3 | Very high | 94.2 | Very high | 68 Ų | 68 | 50 Ų | 50 | 48% | 0.476 | 29% | 0.29 | S | S | . | . | B | Isolated β-bridge | trans | -139 | 154.6 | -174.9 | 56.8 | 0 | 0 | 0 | 0 | 112.2 | V37 | V37-S61 PolarHBondContact N-O 2.98Å; V37-S61 PolarHBondContact O-N 3.24Å; V37-S61 VanDerWaalsContact O-N 3.08Å |
| 62 | D | 94.1 | Very high | 94.4 | Very high | 33 Ų | 33 | 48.2 Ų | 48.2 | 18% | 0.176 | 28% | 0.282 | C | S | . | . | trans | -150.4 | 156.3 | 179.6 | -173.6 | 73.7 | 0 | 0 | 0 | 109 | P36 H64 G65 I66 | P36-D62 WeakPolarHBondContact CA-OD1 3.14Å; P36-D62 HydrophobicContact CB-CB 3.96Å; P36-D62 WeakPolarHBondContact CB-OD1 3.25Å; D62-H64 PolarHBondContact OD2-N 3.09Å; D62-G65 PolarHBondContact OD2-N 2.84Å; D62-I66 HydrophobicContact CB-CG1 3.73Å | ||
| 63 | D | 89.3 | Confident | 94.5 | Very high | 77 Ų | 77 | 48 Ų | 48 | 41% | 0.412 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -77 | -27.8 | -179.2 | 55.4 | -4.5 | 0 | 0 | 0 | 113.2 | N33 R34 | N33-D63 PolarHBondContact OD1-OD1 2.92Å; R34-D63 PolarHBondContact N-OD2 2.82Å; R34-D63 VanDerWaalsContact N-OD2 3.13Å |
| 64 | H | 86.8 | Confident | 94.5 | Very high | 78 Ų | 78 | 50.6 Ų | 50.6 | 36% | 0.361 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -113.3 | -7.6 | 177.1 | -59.6 | 84.2 | 0 | 0 | 0 | 113.3 | E31 N33 D62 | E31-H64 IonicContact OE1-CD2 3.64Å; E31-H64 PolarHBondContact OE1-CD2 3.47Å; E31-H64 IonicContact OE1-NE2 3.02Å; E31-H64 PolarHBondContact OE1-NE2 2.9Å; N33-H64 PolarHBondContact OD1-ND1 2.78Å; D62-H64 PolarHBondContact OD2-N 3.09Å |
| 65 | G | 89.1 | Confident | 94.4 | Very high | 31 Ų | 31 | 54.8 Ų | 54.8 | 32% | 0.32 | 30% | 0.296 | S | S | . | . | trans | 107.8 | 148.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | D62 | D62-G65 PolarHBondContact OD2-N 2.84Š| ||
| 66 | I | 93.8 | Very high | 94.2 | Very high | 35 Ų | 35 | 56.5 Ų | 56.5 | 18% | 0.179 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 125.9 | -179.4 | -59.1 | 171.5 | 0 | 0 | 0 | 109.5 | P36 S60 D62 F68 Y69 V106 | P36-I66 HydrophobicContact CB-CG1 4.24Å; S60-I66 VanDerWaalsContact CB-CD1 3.43Å; D62-I66 HydrophobicContact CB-CG1 3.73Å; I66-F68 WeakPolarHBondContact CG2-O 3.26Å; I66-Y69 HydrophobicContact CB-CE2 4.02Å; I66-Y69 HydrophobicContact CD1-CE1 4.49Å; I66-Y69 WeakPolarHBondContact CD1-OH 3.35Å; I66-Y69 HydrophobicContact CG2-CD2 3.94Å; I66-Y69 HydrophobicContact CG2-CE1 4.29Å; I66-Y69 HydrophobicContact CG2-CE2 3.4Å; I66-Y69 VanDerWaalsContact CG2-CE2 3.4Å; I66-V106 HydrophobicContact CD1-CB 4.29Å; I66-V106 HydrophobicContact CD1-CG1 4.39Å; I66-V106 HydrophobicContact CD1-CG2 4.48Å; I66-V106 HydrophobicContact CG2-CB 3.94Å; I66-V106 HydrophobicContact CG2-CG1 4.31Å |
| 67 | V | 94 | Very high | 94 | Very high | 91 Ų | 91 | 57.5 Ų | 57.5 | 55% | 0.552 | 32% | 0.324 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.5 | -15 | 179.9 | -58.4 | 0 | 0 | 0 | 0 | 113.1 | K107 D108 Q109 | V67-K107 PolarHBondContact N-O 2.87Å; V67-D108 VanDerWaalsContact CG2-C 3.48Å; V67-D108 VanDerWaalsContact CG2-O 3.24Å; V67-D108 WeakPolarHBondContact CG2-O 3.01Å; V67-Q109 HydrophobicContact CG1-CB 4.04Å |
| 68 | F | 95 | Very high | 93.8 | Very high | 78 Ų | 78 | 58.7 Ų | 58.7 | 34% | 0.342 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 134.1 | -175.5 | -177.4 | -98.1 | 0 | 0 | 0 | 111.6 | I66 H70 V106 K107 | I66-F68 WeakPolarHBondContact CG2-O 3.26Å; F68-H70 HydrophobicContact CD1-CB 4.39Å; F68-H70 HydrophobicContact CE1-CB 3.45Å; F68-H70 VanDerWaalsContact CE1-CB 3.45Å; F68-H70 HydrophobicContact CZ-CB 3.71Å; F68-V106 VanDerWaalsContact O-CA 3.29Å; F68-V106 WeakPolarHBondContact O-CA 3.35Å; F68-K107 HydrophobicContact CB-CB 4.11Å; F68-K107 HydrophobicContact CD1-CB 4.46Å; F68-K107 HydrophobicContact CD1-CD 4.04Å; F68-K107 HydrophobicContact CD1-CG 4.02Å; F68-K107 PolarHBondContact N-O 2.73Å; F68-K107 PolarHBondContact O-N 3.43Å |
| 69 | Y | 96.6 | Very high | 93.6 | Very high | 39 Ų | 39 | 60 Ų | 60 | 15% | 0.153 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 147.1 | 169.5 | -69.1 | -99.8 | 0 | 0 | 0 | 107.7 | I66 D86 A88 L104 T105 V106 | I66-Y69 HydrophobicContact CB-CE2 4.02Å; I66-Y69 HydrophobicContact CD1-CE1 4.49Å; I66-Y69 WeakPolarHBondContact CD1-OH 3.35Å; I66-Y69 HydrophobicContact CG2-CD2 3.94Å; I66-Y69 HydrophobicContact CG2-CE1 4.29Å; I66-Y69 HydrophobicContact CG2-CE2 3.4Å; I66-Y69 VanDerWaalsContact CG2-CE2 3.4Å; Y69-D86 CarbonylContact O-C 3.59Å; Y69-D86 WeakPolarHBondContact O-CA 3.32Å; Y69-A88 HydrophobicContact CD1-CB 4.12Å; Y69-A88 HydrophobicContact CD2-CB 4.46Å; Y69-A88 HydrophobicContact CE1-CB 3.92Å; Y69-A88 HydrophobicContact CE2-CB 4.27Å; Y69-A88 HydrophobicContact CG-CB 4.41Å; Y69-L104 HydrophobicContact CD1-CD1 4Å; Y69-T105 CarbonylContact C-O 3.5Å; Y69-T105 WeakPolarHBondContact CA-O 3.47Å; Y69-V106 HydrophobicContact CD1-CG1 3.62Å; Y69-V106 HydrophobicContact CE1-CG1 3.7Å; Y69-V106 HydrophobicContact CG-CG1 4.36Å |
| 70 | H | 97.2 | Very high | 93.6 | Very high | 64 Ų | 64 | 57.2 Ų | 57.2 | 30% | 0.296 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 123.6 | 170.9 | -174.9 | 73.3 | 0 | 0 | 0 | 110.8 | F68 I85 D86 L104 T105 | F68-H70 HydrophobicContact CD1-CB 4.39Å; F68-H70 HydrophobicContact CE1-CB 3.45Å; F68-H70 VanDerWaalsContact CE1-CB 3.45Å; F68-H70 HydrophobicContact CZ-CB 3.71Å; H70-I85 CarbonylContact C-O 3.56Å; H70-I85 WeakPolarHBondContact CA-O 3.42Å; H70-D86 IonicContact CE1-OD1 2.7Å; H70-D86 IonicContact CG-OD1 3.64Å; H70-D86 IonicContact ND1-OD1 2.76Å; H70-D86 PolarHBondContact ND1-OD1 3.4Å; H70-L104 CarbonylContact O-C 3.6Å; H70-L104 WeakPolarHBondContact O-CA 3.22Å; H70-T105 PolarHBondContact N-O 3.29Å; H70-T105 PolarHBondContact O-N 3.48Å |
| 71 | W | 97.6 | Very high | 93.6 | Very high | 2 Ų | 2 | 63.6 Ų | 63.6 | 1% | 0.008 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 135.8 | 174.5 | -69.7 | 95.3 | 0 | 0 | 0 | 111.5 | A40 L55 M82 I85 K87 A90 F102 R103 L104 L118 | A40-W71 HydrophobicContact CB-CH2 3.94Å; A40-W71 HydrophobicContact CB-CZ3 4.13Å; L55-W71 HydrophobicContact CB-CD2 4.13Å; L55-W71 HydrophobicContact CB-CE3 4.06Å; L55-W71 HydrophobicContact CB-CH2 3.84Å; L55-W71 HydrophobicContact CB-CZ2 3.91Å; L55-W71 HydrophobicContact CB-CZ3 3.92Å; L55-W71 HydrophobicContact CD1-CD2 4.15Å; L55-W71 HydrophobicContact CD1-CE3 3.72Å; L55-W71 HydrophobicContact CD1-CZ3 4.1Å; W71-M82 HydrophobicContact CB-CE 3.62Å; W71-I85 HydrophobicContact CB-CG2 4.35Å; W71-I85 VanDerWaalsContact CD1-O 3.3Å; W71-I85 PolarHBondContact N-O 3.14Å; W71-I85 WeakPolarHBondContact O-CG2 3.38Å; W71-K87 PolarHBondContact NE1-O 3.32Å; W71-A90 HydrophobicContact CB-CB 4.32Å; W71-A90 VanDerWaalsContact CD1-CB 3.45Å; W71-A90 HydrophobicContact CD2-CB 4.45Å; W71-A90 HydrophobicContact CG-CB 3.84Å; W71-F102 HydrophobicContact CE3-CB 4.36Å; W71-R103 WeakPolarHBondContact CA-O 3.43Å; W71-L104 HydrophobicContact CD2-CB 4.22Å; W71-L104 HydrophobicContact CD2-CD1 4.03Å; W71-L104 HydrophobicContact CE3-CB 3.9Å; W71-L104 HydrophobicContact CG-CD1 4.4Å; W71-L104 HydrophobicContact CH2-CB 3.83Å; W71-L104 HydrophobicContact CH2-CD2 4.15Å; W71-L104 HydrophobicContact CH2-CG 4.38Å; W71-L104 HydrophobicContact CZ2-CB 4.14Å; W71-L104 HydrophobicContact CZ2-CD1 3.98Å; W71-L104 HydrophobicContact CZ2-CD2 3.99Å; W71-L104 HydrophobicContact CZ2-CG 4.25Å; W71-L104 HydrophobicContact CZ3-CB 3.7Å; W71-L118 HydrophobicContact CH2-CD2 3.67Å; W71-L118 HydrophobicContact CZ3-CD2 3.55Å; W71-L118 HydrophobicContact CZ3-CG 4.28Å |
| 72 | E | 96.3 | Very high | 93.7 | Very high | 50 Ų | 50 | 62 Ų | 62 | 23% | 0.234 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 140.6 | 174.3 | 46.1 | 151.5 | -111.2 | 0 | 0 | 111.4 | V74 F102 R103 | E72-V74 PolarHBondContact O-N 3.49Å; E72-V74 WeakPolarHBondContact OE1-CG2 3.37Å; E72-F102 CarbonylContact O-C 3.59Å; E72-F102 VanDerWaalsContact O-CA 3.29Å; E72-F102 WeakPolarHBondContact O-CA 3.25Å; E72-R103 VanDerWaalsContact CD-NE 3.27Å; E72-R103 HydrophobicContact CG-CB 3.93Å; E72-R103 HydrophobicContact CG-CG 4.49Å; E72-R103 WeakPolarHBondContact CG-O 3.34Å; E72-R103 PolarHBondContact N-O 2.96Å; E72-R103 PolarHBondContact O-N 2.99Å; E72-R103 IonicContact OE1-CZ 2.89Å; E72-R103 IonicContact OE1-NE 3.97Å; E72-R103 PolarHBondContact OE1-NE 3.26Å; E72-R103 IonicContact OE1-NH2 2.57Å; E72-R103 PolarHBondContact OE1-NH2 3.36Å; E72-R103 IonicContact OE2-CZ 2.77Å; E72-R103 IonicContact OE2-NE 3.04Å; E72-R103 IonicContact OE2-NH2 2.77Å; E72-R103 PolarHBondContact OE2-NH2 3Å |
| 73 | H | 95.8 | Very high | 93.8 | Very high | 59 Ų | 59 | 66.2 Ų | 66.2 | 27% | 0.273 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 111.2 | 169.4 | 174.4 | -132.4 | 0 | 0 | 0 | 109.3 | R75 G76 S78 V80 M82 Y100 F102 | H73-R75 PolarHBondContact NE2-O 2.98Å; H73-R75 VanDerWaalsContact NE2-O 3.13Å; H73-G76 PolarHBondContact NE2-N 2.88Å; H73-S78 PolarHBondContact CE1-O 2.89Å; H73-V80 HydrophobicContact CB-CG2 3.93Å; H73-M82 HydrophobicContact CB-SD 3.95Å; H73-Y100 AromaticContact NE2-CD1 3.48Å; H73-Y100 WeakPolarHBondContact NE2-CD1 3.02Å; H73-F102 HydrophobicContact CB-CD1 4.09Å; H73-F102 HydrophobicContact CB-CE1 3.86Å; H73-F102 AromaticContact CD2-CE1 3.89Å |
| 74 | V | 95.3 | Very high | 94.1 | Very high | 65 Ų | 65 | 65.9 Ų | 65.9 | 39% | 0.394 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | -48 | -174.2 | -176.9 | 0 | 0 | 0 | 0 | 111.3 | E72 H101 R103 | E72-V74 PolarHBondContact O-N 3.49Å; E72-V74 WeakPolarHBondContact OE1-CG2 3.37Å; V74-H101 HydrophobicContact CB-CB 4.38Å; V74-H101 WeakPolarHBondContact CB-O 3.4Å; V74-H101 PolarHBondContact N-O 2.78Å; V74-R103 HydrophobicContact CG2-CB 3.54Å |
| 75 | R | 94.4 | Very high | 94.6 | Very high | 160 Ų | 160 | 64.8 Ų | 64.8 | 60% | 0.604 | 35% | 0.353 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -160.5 | 150.4 | -178.5 | 66.8 | -179.6 | 75.6 | 171.2 | 3 | 110.8 | H73 Y100 H101 | H73-R75 PolarHBondContact NE2-O 2.98Å; H73-R75 VanDerWaalsContact NE2-O 3.13Å; R75-Y100 CarbonylContact O-C 3.57Å; R75-Y100 WeakPolarHBondContact O-CA 3.24Å; R75-H101 HydrophobicContact CG-CB 3.79Å; R75-H101 WeakPolarHBondContact CG-ND1 3.45Å; R75-H101 PolarHBondContact O-N 3.05Å |
| 76 | G | 92.5 | Very high | 94.9 | Very high | 36 Ų | 36 | 67.8 Ų | 67.8 | 37% | 0.371 | 36% | 0.362 | S | S | . | . | trans | -179.8 | 169.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | H73 S78 | H73-G76 PolarHBondContact NE2-N 2.88Å; G76-S78 VanDerWaalsContact C-N 3.3Å; G76-S78 PolarHBondContact O-N 3.44Å | ||
| 77 | P | 91.6 | Very high | 95 | Very high | 82 Ų | 82 | 72.1 Ų | 72.1 | 53% | 0.532 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -70.2 | -24 | -179.2 | 29.6 | -37.6 | 0 | 0 | 0 | 113.6 | Y100 | P77-Y100 HydrophobicContact CG-CE1 4.14Å; P77-Y100 HydrophobicContact CG-CE2 3.89Å; P77-Y100 WeakPolarHBondContact CG-OH 3.47Å |
| 78 | S | 91.3 | Very high | 95 | Very high | 25 Ų | 25 | 69 Ų | 69 | 18% | 0.175 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -136.2 | 165.8 | 179.4 | 70.6 | 0 | 0 | 0 | 0 | 111.5 | H73 G76 Y100 | H73-S78 PolarHBondContact CE1-O 2.89Å; G76-S78 VanDerWaalsContact C-N 3.3Å; G76-S78 PolarHBondContact O-N 3.44Å; S78-Y100 WeakPolarHBondContact O-CE1 3.39Å; S78-Y100 PolarHBondContact OG-OH 3.19Å |
| 79 | A | 91.1 | Very high | 95.1 | Very high | 90 Ų | 90 | 69.5 Ų | 69.5 | 74% | 0.744 | 37% | 0.369 | S | S | * | . | trans | -66.4 | 152.9 | 162.8 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 80 | V | 94.8 | Very high | 95.1 | Very high | 27 Ų | 27 | 67.7 Ų | 67.7 | 16% | 0.164 | 36% | 0.361 | C | S | . | . | trans | -133.5 | 153.2 | 179.8 | -62.1 | 0 | 0 | 0 | 0 | 109 | H73 M82 V92 L95 Y100 F102 | H73-V80 HydrophobicContact CB-CG2 3.93Å; V80-M82 HydrophobicContact CG2-CG 4.22Å; V80-M82 HydrophobicContact CG2-SD 4.49Å; V80-V92 HydrophobicContact CB-CG2 3.71Å; V80-V92 HydrophobicContact CG1-CG2 4.28Å; V80-V92 HydrophobicContact CG2-CG2 3.85Å; V80-L95 HydrophobicContact CG1-CD2 3.77Å; V80-Y100 HydrophobicContact CG1-CD1 3.66Å; V80-Y100 HydrophobicContact CG1-CE1 3.36Å; V80-F102 HydrophobicContact CG2-CE1 4.05Å; V80-F102 HydrophobicContact CG2-CZ 4.32Å | ||
| 81 | E | 95.7 | Very high | 95 | Very high | 145 Ų | 145 | 66.6 Ų | 66.6 | 68% | 0.678 | 36% | 0.36 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 136.2 | 173.2 | -69.2 | 179.2 | 174.4 | 0 | 0 | 109 | V92 T93 | E81-V92 CarbonylContact O-C 3.51Å; E81-V92 VanDerWaalsContact O-CA 3.3Å; E81-V92 WeakPolarHBondContact O-CA 3.2Å; E81-V92 WeakPolarHBondContact O-CG2 3.18Å; E81-T93 WeakPolarHBondContact CB-OG1 3.4Å; E81-T93 PolarHBondContact N-O 2.94Å; E81-T93 PolarHBondContact O-N 2.9Å |
| 82 | M | 96.3 | Very high | 95 | Very high | 34 Ų | 34 | 66.5 Ų | 66.5 | 17% | 0.167 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 130.4 | -178.7 | -62.4 | 179.5 | 70.2 | 0 | 0 | 110.2 | L55 W71 H73 V80 I85 T91 V92 F102 | L55-M82 HydrophobicContact CD1-CE 3.88Å; W71-M82 HydrophobicContact CB-CE 3.62Å; H73-M82 HydrophobicContact CB-SD 3.95Å; V80-M82 HydrophobicContact CG2-CG 4.22Å; V80-M82 HydrophobicContact CG2-SD 4.49Å; M82-I85 HydrophobicContact CB-CD1 3.85Å; M82-I85 HydrophobicContact CB-CG1 3.65Å; M82-T91 CarbonylContact C-O 3.37Å; M82-T91 WeakPolarHBondContact CA-O 3.32Å; M82-V92 HydrophobicContact CG-CB 4.25Å; M82-V92 HydrophobicContact CG-CG2 4.07Å; M82-F102 HydrophobicContact CE-CD1 3.82Å; M82-F102 HydrophobicContact CE-CE1 4.1Å; M82-F102 HydrophobicContact SD-CD1 4.01Å; M82-F102 HydrophobicContact SD-CE1 3.85Å |
| 83 | E | 96.3 | Very high | 95 | Very high | 122 Ų | 122 | 66.4 Ų | 66.4 | 57% | 0.57 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113 | 153.8 | 174.5 | -62.3 | -179.4 | 165.6 | 0 | 0 | 110.2 | I85 A90 T91 | E83-I85 PolarHBondContact O-N 3.44Å; E83-A90 WeakPolarHBondContact O-CA 3.34Å; E83-A90 WeakPolarHBondContact O-CB 3.09Å; E83-T91 WeakPolarHBondContact CB-OG1 3Å; E83-T91 PolarHBondContact N-O 3.28Å; E83-T91 PolarHBondContact O-N 3.46Å |
| 84 | N | 95.9 | Very high | 94.8 | Very high | 70 Ų | 70 | 65 Ų | 65 | 37% | 0.374 | 36% | 0.363 | S | S | . | . | S | Bend | trans | 56.9 | 35.4 | -178.4 | -60.3 | -64.9 | 0 | 0 | 0 | 113.5 | D86 K87 I89 | N84-D86 PolarHBondContact O-N 3.48Å; N84-D86 VanDerWaalsContact O-N 3.16Å; N84-K87 HydrophobicContact CB-CB 4.26Å; N84-K87 HydrophobicContact CB-CD 3.99Å; N84-K87 HydrophobicContact CB-CG 4.28Å; N84-K87 PolarHBondContact O-N 2.8Å; N84-K87 WeakPolarHBondContact OD1-CE 3.31Å; N84-K87 PolarHBondContact OD1-NZ 3.45Å; N84-I89 WeakPolarHBondContact CB-O 3.21Å |
| 85 | I | 96.3 | Very high | 94.8 | Very high | 55 Ų | 55 | 61.9 Ų | 61.9 | 28% | 0.282 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | -37.6 | -177.3 | -66.9 | 172.2 | 0 | 0 | 0 | 112.8 | H70 W71 M82 E83 K87 | H70-I85 CarbonylContact C-O 3.56Å; H70-I85 WeakPolarHBondContact CA-O 3.42Å; W71-I85 HydrophobicContact CB-CG2 4.35Å; W71-I85 VanDerWaalsContact CD1-O 3.3Å; W71-I85 PolarHBondContact N-O 3.14Å; W71-I85 WeakPolarHBondContact O-CG2 3.38Å; M82-I85 HydrophobicContact CB-CD1 3.85Å; M82-I85 HydrophobicContact CB-CG1 3.65Å; E83-I85 PolarHBondContact O-N 3.44Å; I85-K87 VanDerWaalsContact C-N 3.34Å; I85-K87 PolarHBondContact O-N 2.91Å |
| 86 | D | 96 | Very high | 94.8 | Very high | 95 Ų | 95 | 59.9 Ų | 59.9 | 51% | 0.508 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95 | 19.4 | -177 | -54.5 | -50.2 | 0 | 0 | 0 | 113.8 | Y69 H70 N84 | Y69-D86 CarbonylContact O-C 3.59Å; Y69-D86 WeakPolarHBondContact O-CA 3.32Å; H70-D86 IonicContact CE1-OD1 2.7Å; H70-D86 IonicContact CG-OD1 3.64Å; H70-D86 IonicContact ND1-OD1 2.76Å; H70-D86 PolarHBondContact ND1-OD1 3.4Å; N84-D86 PolarHBondContact O-N 3.48Å; N84-D86 VanDerWaalsContact O-N 3.16Å |
| 87 | K | 95.5 | Very high | 94.8 | Very high | 125 Ų | 125 | 61.8 Ų | 61.8 | 54% | 0.543 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -114.1 | 164.1 | 177.5 | -61.6 | -172.3 | -174.7 | 160.9 | 0 | 111.4 | W71 N84 I85 I89 | W71-K87 PolarHBondContact NE1-O 3.32Å; N84-K87 HydrophobicContact CB-CB 4.26Å; N84-K87 HydrophobicContact CB-CD 3.99Å; N84-K87 HydrophobicContact CB-CG 4.28Å; N84-K87 PolarHBondContact O-N 2.8Å; N84-K87 WeakPolarHBondContact OD1-CE 3.31Å; N84-K87 PolarHBondContact OD1-NZ 3.45Å; I85-K87 VanDerWaalsContact C-N 3.34Å; I85-K87 PolarHBondContact O-N 2.91Å; K87-I89 PolarHBondContact O-N 2.91Å |
| 88 | A | 93.7 | Very high | 94.9 | Very high | 26 Ų | 26 | 58.9 Ų | 58.9 | 22% | 0.215 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -58.6 | -32.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | G57 Y69 | G57-A88 WeakPolarHBondContact CA-O 3.43Å; G57-A88 PolarHBondContact N-O 2.85Å; Y69-A88 HydrophobicContact CD1-CB 4.12Å; Y69-A88 HydrophobicContact CD2-CB 4.46Å; Y69-A88 HydrophobicContact CE1-CB 3.92Å; Y69-A88 HydrophobicContact CE2-CB 4.27Å; Y69-A88 HydrophobicContact CG-CB 4.41Å |
| 89 | I | 96.4 | Very high | 95.1 | Very high | 89 Ų | 89 | 61.1 Ų | 61.1 | 46% | 0.456 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 122.5 | 175.8 | -56.5 | 173.2 | 0 | 0 | 0 | 108.8 | L55 N84 K87 | L55-I89 VanDerWaalsContact O-CA 3.31Å; L55-I89 WeakPolarHBondContact O-CA 3.47Å; N84-I89 WeakPolarHBondContact CB-O 3.21Å; K87-I89 PolarHBondContact O-N 2.91Å |
| 90 | A | 96.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 159.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | T54 L55 W71 E83 | T54-A90 CarbonylContact C-O 3.23Å; T54-A90 WeakPolarHBondContact CA-O 3.5Å; L55-A90 HydrophobicContact CB-CB 4.39Å; L55-A90 PolarHBondContact N-O 3.46Å; L55-A90 PolarHBondContact O-N 2.85Å; W71-A90 HydrophobicContact CB-CB 4.32Å; W71-A90 VanDerWaalsContact CD1-CB 3.45Å; W71-A90 HydrophobicContact CD2-CB 4.45Å; W71-A90 HydrophobicContact CG-CB 3.84Å; E83-A90 WeakPolarHBondContact O-CA 3.34Å; E83-A90 WeakPolarHBondContact O-CB 3.09Å |
| 91 | T | 96.8 | Very high | 95.4 | Very high | 42 Ų | 42 | 58.3 Ų | 58.3 | 26% | 0.258 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 133.2 | 174.6 | 33.6 | 0 | 0 | 0 | 0 | 109.1 | T54 M82 E83 | T54-T91 HydrophobicContact CG2-CG2 3.82Å; M82-T91 CarbonylContact C-O 3.37Å; M82-T91 WeakPolarHBondContact CA-O 3.32Å; E83-T91 WeakPolarHBondContact CB-OG1 3Å; E83-T91 PolarHBondContact N-O 3.28Å; E83-T91 PolarHBondContact O-N 3.46Å |
| 92 | V | 96.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 135.9 | 174.8 | 59.3 | 0 | 0 | 0 | 0 | 110 | S52 A53 L55 V80 E81 M82 L95 F102 | S52-V92 CarbonylContact C-O 3.57Å; S52-V92 WeakPolarHBondContact CA-O 3.27Å; S52-V92 WeakPolarHBondContact CB-O 3.45Å; A53-V92 HydrophobicContact CB-CG1 3.96Å; A53-V92 PolarHBondContact N-O 3.49Å; A53-V92 WeakPolarHBondContact O-CG1 3.09Å; A53-V92 PolarHBondContact O-N 3.24Å; L55-V92 HydrophobicContact CD2-CG1 4.13Å; L55-V92 HydrophobicContact CG-CG1 4.3Å; V80-V92 HydrophobicContact CB-CG2 3.71Å; V80-V92 HydrophobicContact CG1-CG2 4.28Å; V80-V92 HydrophobicContact CG2-CG2 3.85Å; E81-V92 CarbonylContact O-C 3.51Å; E81-V92 VanDerWaalsContact O-CA 3.3Å; E81-V92 WeakPolarHBondContact O-CA 3.2Å; E81-V92 WeakPolarHBondContact O-CG2 3.18Å; M82-V92 HydrophobicContact CG-CB 4.25Å; M82-V92 HydrophobicContact CG-CG2 4.07Å; V92-L95 HydrophobicContact CG1-CD1 4.03Å; V92-L95 HydrophobicContact CG1-CG 4.5Å; V92-L95 HydrophobicContact CG2-CD2 4.04Å; V92-L95 HydrophobicContact CG2-CG 4.26Å; V92-F102 HydrophobicContact CB-CE1 4.46Å; V92-F102 HydrophobicContact CB-CZ 4.32Å; V92-F102 HydrophobicContact CG1-CZ 4.19Å; V92-F102 HydrophobicContact CG2-CE1 4.02Å; V92-F102 HydrophobicContact CG2-CZ 3.79Å |
| 93 | T | 96 | Very high | 95.6 | Very high | 47 Ų | 47 | 54.3 Ų | 54.3 | 29% | 0.288 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 162.8 | -179.5 | 49.3 | 0 | 0 | 0 | 0 | 110.7 | E51 E81 | E51-T93 CarbonylContact O-C 3.59Å; E51-T93 WeakPolarHBondContact O-CA 3.41Å; E81-T93 WeakPolarHBondContact CB-OG1 3.4Å; E81-T93 PolarHBondContact N-O 2.94Å; E81-T93 PolarHBondContact O-N 2.9Å |
| 94 | G | 92.9 | Very high | 95.6 | Very high | 30 Ų | 30 | 48.5 Ų | 48.5 | 31% | 0.309 | 26% | 0.263 | S | S | . | . | trans | 75.7 | 25.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | E51 Q96 | E51-G94 PolarHBondContact O-N 3.32Å; E51-G94 VanDerWaalsContact O-N 3.07Å; G94-Q96 PolarHBondContact O-N 2.74Å | ||
| 95 | L | 94.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 25% | 0.251 | C | S | . | . | trans | -71.8 | 124.5 | 175.3 | -63.7 | 167 | 0 | 0 | 0 | 110.4 | L46 E51 A53 V80 V92 Y100 F102 V120 V122 | L46-L95 HydrophobicContact CD1-CD1 3.67Å; E51-L95 WeakPolarHBondContact CB-O 3.33Å; E51-L95 WeakPolarHBondContact CG-O 3.26Å; E51-L95 WeakPolarHBondContact O-CB 3.36Å; E51-L95 PolarHBondContact O-N 2.92Å; A53-L95 HydrophobicContact CB-CD1 4.13Å; V80-L95 HydrophobicContact CG1-CD2 3.77Å; V92-L95 HydrophobicContact CG1-CD1 4.03Å; V92-L95 HydrophobicContact CG1-CG 4.5Å; V92-L95 HydrophobicContact CG2-CD2 4.04Å; V92-L95 HydrophobicContact CG2-CG 4.26Å; L95-Y100 HydrophobicContact CB-CE2 4.43Å; L95-Y100 HydrophobicContact CD2-CD1 4.04Å; L95-Y100 HydrophobicContact CD2-CD2 3.68Å; L95-Y100 HydrophobicContact CD2-CE1 4.19Å; L95-Y100 HydrophobicContact CD2-CE2 3.85Å; L95-Y100 HydrophobicContact CD2-CG 3.79Å; L95-F102 HydrophobicContact CD2-CZ 4.31Å; L95-V120 HydrophobicContact CD1-CG1 3.98Å; L95-V122 HydrophobicContact CB-CG2 3.8Å; L95-V122 HydrophobicContact CD1-CG2 4.39Å | ||
| 96 | Q | 93.3 | Very high | 95.7 | Very high | 118 Ų | 118 | 43.5 Ų | 43.5 | 55% | 0.551 | 24% | 0.238 | S | C | * | . | trans | -101.8 | 174.2 | 173.2 | -63.4 | -173.7 | -6.3 | 0 | 0 | 110.8 | G94 G98 Y100 V122 | G94-Q96 PolarHBondContact O-N 2.74Å; Q96-G98 PolarHBondContact O-N 3.4Å; Q96-Y100 PolarHBondContact N-OH 2.99Å; Q96-Y100 VanDerWaalsContact O-CE2 3.29Å; Q96-Y100 WeakPolarHBondContact O-CE2 2.98Å; Q96-Y100 PolarHBondContact O-OH 2.87Å; Q96-V122 VanDerWaalsContact O-CB 3.3Å; Q96-V122 WeakPolarHBondContact O-CB 3.03Å | ||
| 97 | V | 93.2 | Very high | 95.6 | Very high | 75 Ų | 75 | 43 Ų | 43 | 46% | 0.455 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -59.9 | 123.7 | 179.3 | 178.4 | 0 | 0 | 0 | 0 | 111.1 | F48 V122 K124 | F48-V97 HydrophobicContact CB-CG2 4.01Å; F48-V97 HydrophobicContact CD2-CG2 4.17Å; F48-V97 HydrophobicContact CG-CG2 4.1Å; V97-V122 WeakPolarHBondContact CA-O 3.49Å; V97-K124 HydrophobicContact CG1-CB 4.47Å; V97-K124 HydrophobicContact CG2-CB 4.22Å |
| 98 | G | 93.1 | Very high | 95.5 | Very high | 21 Ų | 21 | 37.2 Ų | 37.2 | 22% | 0.216 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 142.6 | -170.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q96 V122 | Q96-G98 PolarHBondContact O-N 3.4Å; G98-V122 PolarHBondContact N-O 3.37Å; G98-V122 PolarHBondContact O-N 2.99Å |
| 99 | T | 95.9 | Very high | 95.3 | Very high | 72 Ų | 72 | 43.3 Ų | 43.3 | 44% | 0.442 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 122.2 | -174.5 | -52 | 0 | 0 | 0 | 0 | 111.3 | A121 | T99-A121 HydrophobicContact CG2-CB 4.45Å |
| 100 | Y | 96.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 145.4 | 178.2 | -61.2 | -100.8 | 0 | 0 | 0 | 110 | H73 R75 P77 S78 V80 L95 Q96 T119 V120 V122 | H73-Y100 AromaticContact NE2-CD1 3.48Å; H73-Y100 WeakPolarHBondContact NE2-CD1 3.02Å; R75-Y100 CarbonylContact O-C 3.57Å; R75-Y100 WeakPolarHBondContact O-CA 3.24Å; P77-Y100 HydrophobicContact CG-CE1 4.14Å; P77-Y100 HydrophobicContact CG-CE2 3.89Å; P77-Y100 WeakPolarHBondContact CG-OH 3.47Å; S78-Y100 WeakPolarHBondContact O-CE1 3.39Å; S78-Y100 PolarHBondContact OG-OH 3.19Å; V80-Y100 HydrophobicContact CG1-CD1 3.66Å; V80-Y100 HydrophobicContact CG1-CE1 3.36Å; L95-Y100 HydrophobicContact CB-CE2 4.43Å; L95-Y100 HydrophobicContact CD2-CD1 4.04Å; L95-Y100 HydrophobicContact CD2-CD2 3.68Å; L95-Y100 HydrophobicContact CD2-CE1 4.19Å; L95-Y100 HydrophobicContact CD2-CE2 3.85Å; L95-Y100 HydrophobicContact CD2-CG 3.79Å; Q96-Y100 PolarHBondContact N-OH 2.99Å; Q96-Y100 VanDerWaalsContact O-CE2 3.29Å; Q96-Y100 WeakPolarHBondContact O-CE2 2.98Å; Q96-Y100 PolarHBondContact O-OH 2.87Å; Y100-T119 CarbonylContact O-C 3.57Å; Y100-T119 VanDerWaalsContact O-CA 3.29Å; Y100-T119 WeakPolarHBondContact O-CA 3.3Å; Y100-V120 PolarHBondContact N-O 2.04Å; Y100-V120 PolarHBondContact O-N 3.12Å; Y100-V122 HydrophobicContact CE2-CG2 4.48Å |
| 101 | H | 96.8 | Very high | 94.3 | Very high | 59 Ų | 59 | 45.6 Ų | 45.6 | 27% | 0.273 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 127.4 | 177.3 | -55.4 | 52.9 | 0 | 0 | 0 | 108.5 | V74 R75 | V74-H101 HydrophobicContact CB-CB 4.38Å; V74-H101 WeakPolarHBondContact CB-O 3.4Å; V74-H101 PolarHBondContact N-O 2.78Å; R75-H101 HydrophobicContact CG-CB 3.79Å; R75-H101 WeakPolarHBondContact CG-ND1 3.45Å; R75-H101 PolarHBondContact O-N 3.05Å |
| 102 | F | 97 | Very high | 94.1 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 143.3 | 177.6 | -60.8 | -84.7 | 0 | 0 | 0 | 109.4 | L55 W71 E72 H73 V80 M82 V92 L95 T117 L118 V120 | L55-F102 HydrophobicContact CD1-CB 3.91Å; L55-F102 HydrophobicContact CD1-CD1 3.77Å; L55-F102 HydrophobicContact CD1-CD2 4.16Å; L55-F102 HydrophobicContact CD1-CE1 4.36Å; L55-F102 HydrophobicContact CD1-CG 3.66Å; L55-F102 HydrophobicContact CD2-CD2 4.29Å; W71-F102 HydrophobicContact CE3-CB 4.36Å; E72-F102 CarbonylContact O-C 3.59Å; E72-F102 VanDerWaalsContact O-CA 3.29Å; E72-F102 WeakPolarHBondContact O-CA 3.25Å; H73-F102 HydrophobicContact CB-CD1 4.09Å; H73-F102 HydrophobicContact CB-CE1 3.86Å; H73-F102 AromaticContact CD2-CE1 3.89Å; V80-F102 HydrophobicContact CG2-CE1 4.05Å; V80-F102 HydrophobicContact CG2-CZ 4.32Å; M82-F102 HydrophobicContact CE-CD1 3.82Å; M82-F102 HydrophobicContact CE-CE1 4.1Å; M82-F102 HydrophobicContact SD-CD1 4.01Å; M82-F102 HydrophobicContact SD-CE1 3.85Å; V92-F102 HydrophobicContact CB-CE1 4.46Å; V92-F102 HydrophobicContact CB-CZ 4.32Å; V92-F102 HydrophobicContact CG1-CZ 4.19Å; V92-F102 HydrophobicContact CG2-CE1 4.02Å; V92-F102 HydrophobicContact CG2-CZ 3.79Å; L95-F102 HydrophobicContact CD2-CZ 4.31Å; F102-T117 CarbonylContact O-C 3.54Å; F102-T117 WeakPolarHBondContact O-CA 3.28Å; F102-L118 HydrophobicContact CB-CD1 4.35Å; F102-L118 HydrophobicContact CB-CG 4.25Å; F102-L118 HydrophobicContact CD2-CD1 3.99Å; F102-L118 PolarHBondContact N-O 3.32Å; F102-L118 PolarHBondContact O-N 3.23Å; F102-V120 HydrophobicContact CD2-CG2 3.87Å; F102-V120 HydrophobicContact CE2-CB 4.04Å; F102-V120 HydrophobicContact CE2-CG2 3.7Å |
| 103 | R | 97.5 | Very high | 93.9 | Very high | 94 Ų | 94 | 50.2 Ų | 50.2 | 36% | 0.355 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 127.9 | 174.5 | 177.3 | 169.6 | 62.5 | 170.1 | 3 | 109.2 | W71 E72 V74 T115 S116 T117 | W71-R103 WeakPolarHBondContact CA-O 3.43Å; E72-R103 VanDerWaalsContact CD-NE 3.27Å; E72-R103 HydrophobicContact CG-CB 3.93Å; E72-R103 HydrophobicContact CG-CG 4.49Å; E72-R103 WeakPolarHBondContact CG-O 3.34Å; E72-R103 PolarHBondContact N-O 2.96Å; E72-R103 PolarHBondContact O-N 2.99Å; E72-R103 IonicContact OE1-CZ 2.89Å; E72-R103 IonicContact OE1-NE 3.97Å; E72-R103 PolarHBondContact OE1-NE 3.26Å; E72-R103 IonicContact OE1-NH2 2.57Å; E72-R103 PolarHBondContact OE1-NH2 3.36Å; E72-R103 IonicContact OE2-CZ 2.77Å; E72-R103 IonicContact OE2-NE 3.04Å; E72-R103 IonicContact OE2-NH2 2.77Å; E72-R103 PolarHBondContact OE2-NH2 3Å; V74-R103 HydrophobicContact CG2-CB 3.54Å; R103-T115 HydrophobicContact CG-CG2 4.49Å; R103-S116 CarbonylContact C-O 3.41Å; R103-S116 WeakPolarHBondContact CA-O 3.41Å; R103-T117 HydrophobicContact CB-CG2 4.11Å; R103-T117 HydrophobicContact CG-CG2 4.27Å |
| 104 | L | 97.6 | Very high | 94 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 131.4 | 168.3 | 173.1 | 61.4 | 0 | 0 | 0 | 108.6 | A40 Y69 H70 W71 V106 T115 S116 | A40-L104 HydrophobicContact CB-CB 4.12Å; A40-L104 HydrophobicContact CB-CD2 4.48Å; Y69-L104 HydrophobicContact CD1-CD1 4Å; H70-L104 CarbonylContact O-C 3.6Å; H70-L104 WeakPolarHBondContact O-CA 3.22Å; W71-L104 HydrophobicContact CD2-CB 4.22Å; W71-L104 HydrophobicContact CD2-CD1 4.03Å; W71-L104 HydrophobicContact CE3-CB 3.9Å; W71-L104 HydrophobicContact CG-CD1 4.4Å; W71-L104 HydrophobicContact CH2-CB 3.83Å; W71-L104 HydrophobicContact CH2-CD2 4.15Å; W71-L104 HydrophobicContact CH2-CG 4.38Å; W71-L104 HydrophobicContact CZ2-CB 4.14Å; W71-L104 HydrophobicContact CZ2-CD1 3.98Å; W71-L104 HydrophobicContact CZ2-CD2 3.99Å; W71-L104 HydrophobicContact CZ2-CG 4.25Å; W71-L104 HydrophobicContact CZ3-CB 3.7Å; L104-V106 HydrophobicContact CD1-CG1 4.11Å; L104-V106 HydrophobicContact CD2-CG1 4.13Å; L104-V106 HydrophobicContact CG-CG1 4.03Å; L104-T115 CarbonylContact O-C 3.42Å; L104-T115 WeakPolarHBondContact O-CA 3.23Å; L104-S116 PolarHBondContact N-O 2.98Å; L104-S116 PolarHBondContact O-N 2.91Å |
| 105 | T | 97.2 | Very high | 94.1 | Very high | 21 Ų | 21 | 51.9 Ų | 51.9 | 13% | 0.129 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 128 | 168.2 | -54.4 | 0 | 0 | 0 | 0 | 108.9 | Y69 H70 S114 T115 | Y69-T105 CarbonylContact C-O 3.5Å; Y69-T105 WeakPolarHBondContact CA-O 3.47Å; H70-T105 PolarHBondContact N-O 3.29Å; H70-T105 PolarHBondContact O-N 3.48Å; T105-S114 WeakPolarHBondContact CA-O 3.3Å; T105-T115 HydrophobicContact CG2-CG2 4.09Å |
| 106 | V | 96.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 145.9 | 174.5 | -62.9 | 0 | 0 | 0 | 0 | 110.4 | P36 A38 I66 F68 Y69 L104 S113 S114 | P36-V106 HydrophobicContact CB-CG2 3.82Å; P36-V106 HydrophobicContact CG-CG2 3.91Å; A38-V106 HydrophobicContact CB-CG2 3.69Å; I66-V106 HydrophobicContact CD1-CB 4.29Å; I66-V106 HydrophobicContact CD1-CG1 4.39Å; I66-V106 HydrophobicContact CD1-CG2 4.48Å; I66-V106 HydrophobicContact CG2-CB 3.94Å; I66-V106 HydrophobicContact CG2-CG1 4.31Å; F68-V106 VanDerWaalsContact O-CA 3.29Å; F68-V106 WeakPolarHBondContact O-CA 3.35Å; Y69-V106 HydrophobicContact CD1-CG1 3.62Å; Y69-V106 HydrophobicContact CE1-CG1 3.7Å; Y69-V106 HydrophobicContact CG-CG1 4.36Å; L104-V106 HydrophobicContact CD1-CG1 4.11Å; L104-V106 HydrophobicContact CD2-CG1 4.13Å; L104-V106 HydrophobicContact CG-CG1 4.03Å; V106-S113 VanDerWaalsContact O-CA 3.24Å; V106-S113 WeakPolarHBondContact O-CA 3.26Å; V106-S114 PolarHBondContact N-O 3.1Å; V106-S114 PolarHBondContact O-N 3.11Å |
| 107 | K | 94 | Very high | 94.4 | Very high | 85 Ų | 85 | 52 Ų | 52 | 37% | 0.37 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 146.3 | 175.6 | -51.8 | -177.3 | 177.5 | 175.6 | 0 | 112.8 | V67 F68 L112 | V67-K107 PolarHBondContact N-O 2.87Å; F68-K107 HydrophobicContact CB-CB 4.11Å; F68-K107 HydrophobicContact CD1-CB 4.46Å; F68-K107 HydrophobicContact CD1-CD 4.04Å; F68-K107 HydrophobicContact CD1-CG 4.02Å; F68-K107 PolarHBondContact N-O 2.73Å; F68-K107 PolarHBondContact O-N 3.43Å; K107-L112 WeakPolarHBondContact CA-O 3.36Å; K107-L112 WeakPolarHBondContact CB-O 3.39Å |
| 108 | D | 92.8 | Very high | 94.6 | Very high | 3 Ų | 3 | 48.6 Ų | 48.6 | 2% | 0.016 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 179.6 | 172.1 | 70.4 | 11 | 0 | 0 | 0 | 111.8 | N33 V67 Q110 G111 L112 | N33-D108 PolarHBondContact ND2-OD2 2.96Å; V67-D108 VanDerWaalsContact CG2-C 3.48Å; V67-D108 VanDerWaalsContact CG2-O 3.24Å; V67-D108 WeakPolarHBondContact CG2-O 3.01Å; D108-Q110 VanDerWaalsContact C-N 3.26Å; D108-Q110 PolarHBondContact O-N 2.9Å; D108-Q110 VanDerWaalsContact OD1-C 3.31Å; D108-Q110 WeakPolarHBondContact OD1-CA 2.75Å; D108-Q110 PolarHBondContact OD1-N 3.27Å; D108-G111 PolarHBondContact O-N 3.38Å; D108-G111 PolarHBondContact OD1-N 3.22Å; D108-L112 PolarHBondContact N-O 3.29Å; D108-L112 VanDerWaalsContact N-O 3.14Å; D108-L112 PolarHBondContact OD1-N 3.17Å; D108-L112 VanDerWaalsContact OD2-CB 3.27Å; D108-L112 WeakPolarHBondContact OD2-CB 3.36Å; D108-L112 WeakPolarHBondContact OD2-CG 3.29Å |
| 109 | Q | 89.2 | Confident | 94.8 | Very high | 153 Ų | 153 | 49.3 Ų | 49.3 | 72% | 0.715 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -23.7 | -179.5 | -173.9 | 171.1 | -16.2 | 0 | 0 | 113.1 | V67 G111 | V67-Q109 HydrophobicContact CG1-CB 4.04Å; Q109-G111 VanDerWaalsContact C-N 3.34Å |
| 110 | Q | 86.6 | Confident | 94.8 | Very high | 86 Ų | 86 | 45.9 Ų | 45.9 | 40% | 0.402 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -4.5 | -179.7 | -66.1 | 76.5 | 2.7 | 0 | 0 | 112.2 | N33 D108 | N33-Q110 PolarHBondContact ND2-OE1 3.45Å; D108-Q110 VanDerWaalsContact C-N 3.26Å; D108-Q110 PolarHBondContact O-N 2.9Å; D108-Q110 VanDerWaalsContact OD1-C 3.31Å; D108-Q110 WeakPolarHBondContact OD1-CA 2.75Å; D108-Q110 PolarHBondContact OD1-N 3.27Å |
| 111 | G | 86.7 | Confident | 94.7 | Very high | 52 Ų | 52 | 46.5 Ų | 46.5 | 54% | 0.536 | 26% | 0.26 | S | S | . | . | trans | 88.4 | 7.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | D108 Q109 | D108-G111 PolarHBondContact O-N 3.38Å; D108-G111 PolarHBondContact OD1-N 3.22Å; Q109-G111 VanDerWaalsContact C-N 3.34Å | ||
| 112 | L | 91.8 | Very high | 94.6 | Very high | 70 Ų | 70 | 43.8 Ų | 43.8 | 37% | 0.366 | 25% | 0.248 | S | C | . | . | trans | -70.3 | 147.4 | 171.2 | -52.6 | 179.2 | 0 | 0 | 0 | 109.8 | N33 P35 K107 D108 | N33-L112 WeakPolarHBondContact ND2-CD1 3.28Å; P35-L112 HydrophobicContact CB-CB 4.04Å; P35-L112 HydrophobicContact CB-CD1 4.23Å; K107-L112 WeakPolarHBondContact CA-O 3.36Å; K107-L112 WeakPolarHBondContact CB-O 3.39Å; D108-L112 PolarHBondContact N-O 3.29Å; D108-L112 VanDerWaalsContact N-O 3.14Å; D108-L112 PolarHBondContact OD1-N 3.17Å; D108-L112 VanDerWaalsContact OD2-CB 3.27Å; D108-L112 WeakPolarHBondContact OD2-CB 3.36Å; D108-L112 WeakPolarHBondContact OD2-CG 3.29Å | ||
| 113 | S | 94 | Very high | 94.3 | Very high | 68 Ų | 68 | 48.6 Ų | 48.6 | 48% | 0.476 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 146 | -174 | 68.8 | 0 | 0 | 0 | 0 | 113 | V106 | V106-S113 VanDerWaalsContact O-CA 3.24Å; V106-S113 WeakPolarHBondContact O-CA 3.26Å |
| 114 | S | 96.2 | Very high | 93.8 | Very high | 37 Ų | 37 | 50.7 Ų | 50.7 | 26% | 0.259 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 157.4 | 167.5 | -177.9 | 0 | 0 | 0 | 0 | 111.1 | P36 T105 V106 | P36-S114 WeakPolarHBondContact O-CB 3.4Å; T105-S114 WeakPolarHBondContact CA-O 3.3Å; V106-S114 PolarHBondContact N-O 3.1Å; V106-S114 PolarHBondContact O-N 3.11Å |
| 115 | T | 96.9 | Very high | 93 | Very high | 75 Ų | 75 | 55.2 Ų | 55.2 | 46% | 0.46 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 147.7 | 179.5 | 64 | 0 | 0 | 0 | 0 | 112.1 | R103 L104 T105 | R103-T115 HydrophobicContact CG-CG2 4.49Å; L104-T115 CarbonylContact O-C 3.42Å; L104-T115 WeakPolarHBondContact O-CA 3.23Å; T105-T115 HydrophobicContact CG2-CG2 4.09Å |
| 116 | S | 97 | Very high | 92.3 | Very high | 28 Ų | 28 | 61.3 Ų | 61.3 | 20% | 0.196 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 147.1 | 173 | -176.7 | 0 | 0 | 0 | 0 | 109.5 | A38 A40 R103 L104 | A38-S116 WeakPolarHBondContact O-CB 3.23Å; A40-S116 WeakPolarHBondContact CB-OG 3.43Å; A40-S116 PolarHBondContact N-OG 3.38Å; R103-S116 CarbonylContact C-O 3.41Å; R103-S116 WeakPolarHBondContact CA-O 3.41Å; L104-S116 PolarHBondContact N-O 2.98Å; L104-S116 PolarHBondContact O-N 2.91Å |
| 117 | T | 96.5 | Very high | 91.7 | Very high | 94 Ų | 94 | 63.3 Ų | 63.3 | 58% | 0.577 | 34% | 0.344 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 145.6 | 179.6 | 54.9 | 0 | 0 | 0 | 0 | 111.3 | F102 R103 | F102-T117 CarbonylContact O-C 3.54Å; F102-T117 WeakPolarHBondContact O-CA 3.28Å; R103-T117 HydrophobicContact CB-CG2 4.11Å; R103-T117 HydrophobicContact CG-CG2 4.27Å |
| 118 | L | 96.3 | Very high | 91.5 | Very high | 2 Ų | 2 | 62.4 Ų | 62.4 | 1% | 0.01 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 155.1 | 166.6 | 74.3 | 84.5 | 0 | 0 | 0 | 109.8 | A40 L55 W71 F102 V120 | A40-L118 HydrophobicContact CB-CB 4.14Å; A40-L118 HydrophobicContact CB-CD2 4.14Å; A40-L118 HydrophobicContact CB-CG 4.5Å; L55-L118 HydrophobicContact CB-CD2 4.28Å; L55-L118 HydrophobicContact CD2-CD1 3.84Å; L55-L118 HydrophobicContact CD2-CD2 4.03Å; W71-L118 HydrophobicContact CH2-CD2 3.67Å; W71-L118 HydrophobicContact CZ3-CD2 3.55Å; W71-L118 HydrophobicContact CZ3-CG 4.28Å; F102-L118 HydrophobicContact CB-CD1 4.35Å; F102-L118 HydrophobicContact CB-CG 4.25Å; F102-L118 HydrophobicContact CD2-CD1 3.99Å; F102-L118 PolarHBondContact N-O 3.32Å; F102-L118 PolarHBondContact O-N 3.23Å; L118-V120 HydrophobicContact CD1-CG2 3.53Å |
| 119 | T | 96.9 | Very high | 91.4 | Very high | 37 Ų | 37 | 66.1 Ų | 66.1 | 23% | 0.227 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 141.7 | 174.3 | 63.4 | 0 | 0 | 0 | 0 | 111.8 | D43 K44 Y100 | D43-T119 CarbonylContact C-O 3.59Å; D43-T119 WeakPolarHBondContact CA-O 3.45Å; D43-T119 WeakPolarHBondContact CB-OG1 3.2Å; D43-T119 PolarHBondContact OD1-N 3.33Å; D43-T119 PolarHBondContact OD1-OG1 2.91Å; K44-T119 PolarHBondContact N-O 3.39Å; Y100-T119 CarbonylContact O-C 3.57Å; Y100-T119 VanDerWaalsContact O-CA 3.29Å; Y100-T119 WeakPolarHBondContact O-CA 3.3Å |
| 120 | V | 96.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 111.8 | 171.3 | -175.9 | 0 | 0 | 0 | 0 | 107.7 | K44 L46 A53 L55 L95 Y100 F102 L118 | K44-V120 HydrophobicContact CB-CG1 4.35Å; K44-V120 HydrophobicContact CB-CG2 4.32Å; K44-V120 CarbonylContact O-C 3.5Å; K44-V120 WeakPolarHBondContact O-CA 3.48Å; L46-V120 HydrophobicContact CD1-CG1 4.05Å; L46-V120 HydrophobicContact CG-CG1 4.24Å; A53-V120 HydrophobicContact CB-CG1 4.36Å; L55-V120 HydrophobicContact CD2-CG2 4.11Å; L95-V120 HydrophobicContact CD1-CG1 3.98Å; Y100-V120 PolarHBondContact N-O 2.04Å; Y100-V120 PolarHBondContact O-N 3.12Å; F102-V120 HydrophobicContact CD2-CG2 3.87Å; F102-V120 HydrophobicContact CE2-CB 4.04Å; F102-V120 HydrophobicContact CE2-CG2 3.7Å; L118-V120 HydrophobicContact CD1-CG2 3.53Å |
| 121 | A | 95 | Very high | 92.2 | Very high | 12 Ų | 12 | 63 Ų | 63 | 10% | 0.099 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 116.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | K44 E45 L46 T99 | K44-A121 PolarHBondContact O-N 2.03Å; E45-A121 CarbonylContact C-O 3.54Å; E45-A121 VanDerWaalsContact CA-O 3.32Å; E45-A121 WeakPolarHBondContact CA-O 3.48Å; E45-A121 HydrophobicContact CG-CB 4.46Å; L46-A121 PolarHBondContact N-O 3.33Å; T99-A121 HydrophobicContact CG2-CB 4.45Å |
| 122 | V | 94.6 | Very high | 92.7 | Very high | 3 Ų | 3 | 60.9 Ų | 60.9 | 2% | 0.018 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 114.6 | 172.1 | -173 | 0 | 0 | 0 | 0 | 108.4 | L46 F48 L95 Q96 V97 G98 Y100 | L46-V122 HydrophobicContact CB-CG1 4.44Å; L46-V122 HydrophobicContact CB-CG2 4.18Å; L46-V122 HydrophobicContact CD1-CG2 4.09Å; L46-V122 WeakPolarHBondContact O-CA 3.31Å; F48-V122 HydrophobicContact CB-CG1 4.22Å; L95-V122 HydrophobicContact CB-CG2 3.8Å; L95-V122 HydrophobicContact CD1-CG2 4.39Å; Q96-V122 VanDerWaalsContact O-CB 3.3Å; Q96-V122 WeakPolarHBondContact O-CB 3.03Å; V97-V122 WeakPolarHBondContact CA-O 3.49Å; G98-V122 PolarHBondContact N-O 3.37Å; G98-V122 PolarHBondContact O-N 2.99Å; Y100-V122 HydrophobicContact CE2-CG2 4.48Å |
| 123 | K | 91.4 | Very high | 92.9 | Very high | 101 Ų | 101 | 63.9 Ų | 63.9 | 44% | 0.439 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 146.7 | 178.1 | -65.1 | 176.6 | -173.3 | 162.9 | 0 | 109.5 | E45 L46 I47 F48 | E45-K123 IonicContact OE1-NZ 3.79Å; E45-K123 PolarHBondContact OE1-NZ 2.82Å; E45-K123 IonicContact OE2-NZ 3.83Å; E45-K123 PolarHBondContact OE2-NZ 3.32Å; L46-K123 PolarHBondContact O-N 3.26Å; I47-K123 WeakPolarHBondContact CA-O 3.42Å; F48-K123 PolarHBondContact N-O 3.05Å |
| 124 | K | 85.5 | Confident | 92.9 | Very high | 138 Ų | 138 | 60.6 Ų | 60.6 | 60% | 0.6 | 31% | 0.312 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 139.2 | 165.6 | -167.4 | 178.6 | 177.6 | -179.5 | 0 | 108.2 | V97 N126 | V97-K124 HydrophobicContact CG1-CB 4.47Å; V97-K124 HydrophobicContact CG2-CB 4.22Å; K124-N126 PolarHBondContact O-N 2.6Å |
| 125 | E | 81.4 | Confident | 92.7 | Very high | 94 Ų | 94 | 60.9 Ų | 60.9 | 44% | 0.439 | 32% | 0.321 | S | S | . | . | P | Polyproline II helix | trans | -61.8 | 133.2 | 169.8 | -166.4 | 161.7 | -140 | 0 | 0 | 109.6 | I47 N127 | I47-E125 HydrophobicContact CG2-CB 3.95Å; E125-N127 PolarHBondContact O-N 1.99Å |
| 126 | N | 82.1 | Confident | 92.5 | Very high | 149 Ų | 149 | 58.7 Ų | 58.7 | 80% | 0.797 | 31% | 0.313 | S | S | * | . | P | Polyproline II helix | trans | -71.5 | 120.8 | 173.6 | -81.8 | -11.5 | 0 | 0 | 0 | 107.9 | K124 Q158 | K124-N126 PolarHBondContact O-N 2.6Å; N126-Q158 PolarHBondContact O-NE2 3.43Å |
| 127 | N | 84.5 | Confident | 92.5 | Very high | 43 Ų | 43 | 65.8 Ų | 65.8 | 23% | 0.23 | 34% | 0.336 | C | S | . | . | trans | -124.8 | 116.4 | 175.8 | -171.4 | 79.3 | 0 | 0 | 0 | 108.7 | E125 Q158 D205 Q207 | E125-N127 PolarHBondContact O-N 1.99Å; N127-Q158 PolarHBondContact OD1-NE2 3.08Å; N127-Q158 PolarHBondContact OD1-OE1 3.06Å; N127-D205 PolarHBondContact ND2-OD2 3.16Å; N127-Q207 HydrophobicContact CB-CG 4.46Å; N127-Q207 VanDerWaalsContact CG-CD 3.5Å; N127-Q207 PolarHBondContact OD1-NE2 3.3Å | ||
| 128 | S | 88.8 | Confident | 92.5 | Very high | 66 Ų | 66 | 63.9 Ų | 63.9 | 46% | 0.462 | 32% | 0.32 | S | S | . | . | P | Polyproline II helix | trans | -89.4 | 146.6 | 168.2 | -54.4 | 0 | 0 | 0 | 0 | 108.8 | D157 | S128-D157 WeakPolarHBondContact CB-OD2 3.37Å; S128-D157 PolarHBondContact N-OD2 3.36Å; S128-D157 PolarHBondContact OG-OD2 3.48Å |
| 129 | P | 90.9 | Very high | 92.5 | Very high | 80 Ų | 80 | 67.6 Ų | 67.6 | 52% | 0.519 | 34% | 0.343 | S | S | . | . | P | Polyproline II helix | trans | -61.1 | 149.6 | 171.7 | 27.4 | -33.7 | 0 | 0 | 0 | 109.9 | A209 | P129-A209 HydrophobicContact CB-CB 4.16Š|
| 130 | P | 96.3 | Very high | 92.4 | Very high | 2 Ų | 2 | 66.3 Ų | 66.3 | 1% | 0.013 | 33% | 0.334 | C | S | . | . | P | Polyproline II helix | trans | -61.1 | 162.4 | 175.2 | 27.1 | -35.3 | 0 | 0 | 0 | 110 | D156 I160 V203 D205 D211 | P130-D156 WeakPolarHBondContact CA-OD1 3.21Å; P130-D156 HydrophobicContact CB-CB 4.06Å; P130-D156 WeakPolarHBondContact CB-OD1 3.48Å; P130-I160 HydrophobicContact CB-CG1 4.28Å; P130-V203 HydrophobicContact CB-CG2 3.79Å; P130-V203 HydrophobicContact CG-CG2 3.85Å; P130-D205 HydrophobicContact CG-CB 4.39Å; P130-D211 WeakPolarHBondContact O-CB 3.41Å |
| 131 | R | 96.3 | Very high | 92.4 | Very high | 171 Ų | 171 | 69.2 Ų | 69.2 | 65% | 0.645 | 35% | 0.352 | S | S | * | . | B | Isolated β-bridge | trans | -110.4 | 109.6 | 171.9 | -66.8 | -174.4 | -177 | -167.9 | 1.6 | 109.1 | S154 T155 D211 | R131-S154 VanDerWaalsContact O-CA 3.25Å; R131-S154 WeakPolarHBondContact O-CA 3.4Å; R131-S154 WeakPolarHBondContact O-CB 3.28Å; R131-T155 PolarHBondContact N-O 2.86Å; R131-T155 PolarHBondContact O-N 3.38Å; R131-D211 WeakPolarHBondContact CA-OD2 3.37Å |
| 132 | A | 97.2 | Very high | 92.3 | Very high | 8 Ų | 8 | 70.6 Ų | 70.6 | 7% | 0.066 | 36% | 0.358 | C | S | . | . | trans | -69.2 | 139.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | V203 D211 D213 | A132-V203 HydrophobicContact CB-CG2 3.78Å; A132-D211 HydrophobicContact CB-CB 4.39Å; A132-D211 PolarHBondContact N-OD2 3.27Å; A132-D213 HydrophobicContact CB-CB 3.59Å; A132-D213 WeakPolarHBondContact O-CB 3.46Å | ||
| 133 | R | 96.8 | Very high | 92.1 | Very high | 133 Ų | 133 | 73.3 Ų | 73.3 | 50% | 0.502 | 38% | 0.376 | S | S | . | . | trans | -137.3 | 106.3 | 168.2 | -64.5 | -163.3 | -171.7 | -122.6 | 3.3 | 110.3 | G151 R153 S154 D213 | R133-G151 WeakPolarHBondContact O-CA 3.35Å; R133-R153 HydrophobicContact CB-CB 3.99Å; R133-R153 WeakPolarHBondContact CD-O 3.43Å; R133-S154 PolarHBondContact N-OG 3.01Å; R133-D213 VanDerWaalsContact CA-OD2 3.31Å; R133-D213 WeakPolarHBondContact CA-OD2 3.35Å | ||
| 134 | A | 94.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 72.7 Ų | 72.7 | 0% | 0 | 38% | 0.377 | C | S | . | . | trans | -89.9 | -2.9 | -170.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | W165 L201 D213 A215 | A134-W165 HydrophobicContact CB-CH2 4.16Å; A134-W165 HydrophobicContact CB-CZ3 3.99Å; A134-W165 WeakPolarHBondContact O-CH2 3.42Å; A134-L201 HydrophobicContact CB-CB 3.71Å; A134-L201 HydrophobicContact CB-CD2 4.28Å; A134-D213 HydrophobicContact CB-CB 4.05Å; A134-D213 PolarHBondContact N-OD2 3.02Å; A134-A215 HydrophobicContact CB-CB 3.8Å; A134-A215 VanDerWaalsContact O-CB 3.29Å; A134-A215 WeakPolarHBondContact O-CB 3.43Å | ||
| 135 | G | 90.8 | Very high | 92.6 | Very high | 42 Ų | 42 | 68.5 Ų | 68.5 | 43% | 0.433 | 36% | 0.361 | S | S | . | . | trans | 96.9 | -11 | 178 | 0 | 0 | 0 | 0 | 0 | 115.3 | H138 | G135-H138 PolarHBondContact O-NE2 2.85Š| ||
| 136 | G | 93.3 | Very high | 93.3 | Very high | 30 Ų | 30 | 66.4 Ų | 66.4 | 31% | 0.309 | 36% | 0.357 | S | S | . | . | trans | 79.3 | -138.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 114 | A215 T216 | G136-A215 CarbonylContact O-C 3.53Å; G136-A215 VanDerWaalsContact O-CA 3.28Å; G136-A215 WeakPolarHBondContact O-CA 3.44Å; G136-T216 PolarHBondContact O-N 2.79Å | ||
| 137 | R | 96.6 | Very high | 93.9 | Very high | 176 Ų | 176 | 60.6 Ų | 60.6 | 66% | 0.664 | 33% | 0.326 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 129 | -175 | -176.3 | 176.5 | 176.2 | -149 | 4 | 112.1 | T216 E218 | R137-T216 CarbonylContact C-O 3.58Å; R137-T216 WeakPolarHBondContact CA-O 3.46Å; R137-T216 WeakPolarHBondContact CA-OG1 3.41Å; R137-T216 WeakPolarHBondContact CB-OG1 3.4Å; R137-T216 WeakPolarHBondContact CG-OG1 3.16Å; R137-E218 IonicContact CZ-OE2 3.86Å; R137-E218 IonicContact NE-OE2 2.65Å; R137-E218 IonicContact NH2-OE2 3.17Å; R137-E218 PolarHBondContact NH2-OE2 2.88Å |
| 138 | H | 96.1 | Very high | 94.5 | Very high | 55 Ų | 55 | 62.1 Ų | 62.1 | 26% | 0.255 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 145.2 | 175.6 | -61.5 | -88.3 | 0 | 0 | 0 | 110.7 | G135 I147 T216 V217 E218 | G135-H138 PolarHBondContact O-NE2 2.85Å; H138-I147 HydrophobicContact CB-CD1 3.65Å; H138-T216 PolarHBondContact N-O 3.17Å; H138-V217 HydrophobicContact CB-CG1 4.49Å; H138-V217 HydrophobicContact CB-CG2 4.35Å; H138-V217 WeakPolarHBondContact O-CA 3.31Å; H138-E218 PolarHBondContact O-N 3.29Å |
| 139 | V | 96.6 | Very high | 94.9 | Very high | 79 Ų | 79 | 59 Ų | 59 | 48% | 0.479 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 123.1 | 172.7 | -178.1 | 0 | 0 | 0 | 0 | 108.1 | E218 Q220 | V139-E218 CarbonylContact C-O 3.59Å; V139-E218 WeakPolarHBondContact CA-O 3.48Å; V139-E218 HydrophobicContact CG2-CB 4.49Å; V139-Q220 HydrophobicContact CG1-CG 4.22Å |
| 140 | L | 96.1 | Very high | 95.1 | Very high | 10 Ų | 10 | 58.3 Ų | 58.3 | 5% | 0.052 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 135.2 | 178.9 | -176.8 | 68.1 | 0 | 0 | 0 | 108.4 | N144 L192 V217 E218 V219 Q220 | L140-N144 HydrophobicContact CD1-CB 4.01Å; L140-N144 VanDerWaalsContact CD1-ND2 3.35Å; L140-N144 WeakPolarHBondContact CD1-ND2 3.3Å; L140-N144 WeakPolarHBondContact CD2-O 3.46Å; L140-N144 VanDerWaalsContact CG-O 3.26Å; L140-N144 WeakPolarHBondContact CG-O 3.33Å; L140-L192 HydrophobicContact CD2-CB 4.35Å; L140-L192 HydrophobicContact CD2-CD1 3.57Å; L140-V217 HydrophobicContact CB-CG1 4.37Å; L140-E218 PolarHBondContact N-O 3.18Å; L140-V219 HydrophobicContact CB-CG2 4.38Å; L140-V219 HydrophobicContact CD2-CG1 4.46Å; L140-V219 HydrophobicContact CD2-CG2 4.2Å; L140-V219 CarbonylContact O-C 3.53Å; L140-V219 WeakPolarHBondContact O-CA 3.4Å; L140-Q220 PolarHBondContact O-N 3.27Å |
| 141 | V | 95.4 | Very high | 95 | Very high | 62 Ų | 62 | 58.2 Ų | 58.2 | 38% | 0.376 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 126.1 | 178.6 | -174.7 | 0 | 0 | 0 | 0 | 109 | N144 Q220 P223 | V141-N144 PolarHBondContact O-N 3.07Å; V141-Q220 HydrophobicContact CG2-CB 4.31Å; V141-P223 HydrophobicContact CG1-CG 4.47Å |
| 142 | L | 92.4 | Very high | 94.9 | Very high | 40 Ų | 40 | 53.2 Ų | 53.2 | 21% | 0.209 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | 148.1 | 176.1 | -70.7 | 174.3 | 0 | 0 | 0 | 110.9 | N145 V219 Q220 D222 | L142-N145 HydrophobicContact CD2-CB 3.9Å; L142-V219 HydrophobicContact CD1-CG1 4.49Å; L142-V219 HydrophobicContact CD2-CG1 4.23Å; L142-V219 HydrophobicContact CG-CG1 4.04Å; L142-Q220 PolarHBondContact N-O 2.84Å; L142-D222 HydrophobicContact CB-CB 3.99Å; L142-D222 VanDerWaalsContact O-CA 3.31Å; L142-D222 WeakPolarHBondContact O-CA 3.48Å; L142-D222 WeakPolarHBondContact O-CB 3.5Å |
| 143 | P | 90.3 | Very high | 94.8 | Very high | 61 Ų | 61 | 61.5 Ų | 61.5 | 40% | 0.396 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -83.4 | -2.5 | 13.7 | 38.5 | -43 | 0 | 0 | 0 | 114.9 | N145 Q266 | P143-N145 PolarHBondContact O-N 3.32Å; P143-N145 VanDerWaalsContact O-N 3.12Å; P143-Q266 HydrophobicContact CB-CG 4.23Å; P143-Q266 HydrophobicContact CG-CG 4.12Å |
| 144 | N | 93.2 | Very high | 94.8 | Very high | 87 Ų | 87 | 55.6 Ų | 55.6 | 47% | 0.465 | 31% | 0.306 | S | S | . | . | trans | -65.5 | 116.7 | 175.6 | -170.7 | 21.6 | 0 | 0 | 0 | 108.2 | L140 V141 | L140-N144 HydrophobicContact CD1-CB 4.01Å; L140-N144 VanDerWaalsContact CD1-ND2 3.35Å; L140-N144 WeakPolarHBondContact CD1-ND2 3.3Å; L140-N144 WeakPolarHBondContact CD2-O 3.46Å; L140-N144 VanDerWaalsContact CG-O 3.26Å; L140-N144 WeakPolarHBondContact CG-O 3.33Å; V141-N144 PolarHBondContact O-N 3.07Å | ||
| 145 | N | 94.3 | Very high | 94.8 | Very high | 50 Ų | 50 | 59.1 Ų | 59.1 | 27% | 0.267 | 33% | 0.327 | S | S | . | . | trans | -127.2 | 17.9 | -171.6 | 71.8 | -18.7 | 0 | 0 | 0 | 112.4 | L142 P143 T190 N191 L192 | L142-N145 HydrophobicContact CD2-CB 3.9Å; P143-N145 PolarHBondContact O-N 3.32Å; P143-N145 VanDerWaalsContact O-N 3.12Å; N145-T190 CarbonylContact O-C 3.54Å; N145-N191 PolarHBondContact O-N 3.49Å; N145-N191 VanDerWaalsContact O-N 3.15Å; N145-L192 HydrophobicContact CB-CB 4.48Å; N145-L192 WeakPolarHBondContact CB-O 3.46Å; N145-L192 WeakPolarHBondContact O-CB 3.34Å; N145-L192 PolarHBondContact O-N 2.78Å | ||
| 146 | S | 96.1 | Very high | 95 | Very high | 50 Ų | 50 | 58.8 Ų | 58.8 | 35% | 0.35 | 32% | 0.316 | S | S | . | . | trans | -124.4 | 147.2 | 171.8 | 60.1 | 0 | 0 | 0 | 0 | 110.7 | L189 | S146-L189 CarbonylContact C-O 3.56Å; S146-L189 WeakPolarHBondContact CA-O 3.39Å; S146-L189 VanDerWaalsContact CB-O 3.26Å; S146-L189 WeakPolarHBondContact CB-O 3.26Å | ||
| 147 | I | 96.3 | Very high | 94.8 | Very high | 28 Ų | 28 | 61.2 Ų | 61.2 | 14% | 0.144 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 151.3 | 177.2 | -163.8 | 172.5 | 0 | 0 | 0 | 109 | H138 L149 L189 L192 V217 | H138-I147 HydrophobicContact CB-CD1 3.65Å; I147-L149 HydrophobicContact CD1-CD2 4.26Å; I147-L189 HydrophobicContact CG2-CB 4.18Å; I147-L189 HydrophobicContact CG2-CD1 4.12Å; I147-L189 PolarHBondContact N-O 3.39Å; I147-L189 PolarHBondContact O-N 2.98Å; I147-L192 HydrophobicContact CB-CD1 4.41Å; I147-L192 HydrophobicContact CG2-CD1 3.67Å; I147-V217 HydrophobicContact CD1-CG1 4.05Å; I147-V217 HydrophobicContact CD1-CG2 4.47Å; I147-V217 HydrophobicContact CG2-CG1 4.33Å; I147-V217 HydrophobicContact CG2-CG2 4.49Å |
| 148 | T | 96.4 | Very high | 94.3 | Very high | 75 Ų | 75 | 56 Ų | 56 | 46% | 0.46 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 124.6 | 170 | -55.1 | 0 | 0 | 0 | 0 | 108.7 | A186 L187 Q188 | T148-A186 HydrophobicContact CG2-CB 3.89Å; T148-L187 CarbonylContact C-O 3.55Å; T148-L187 VanDerWaalsContact CA-O 3.25Å; T148-L187 WeakPolarHBondContact CA-O 3.35Å; T148-Q188 HydrophobicContact CG2-CG 4.03Å |
| 149 | L | 96.1 | Very high | 94 | Very high | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 135.1 | 171 | -54.1 | -176.5 | 0 | 0 | 0 | 109.2 | I147 W165 A186 L187 L189 F199 A215 V217 | I147-L149 HydrophobicContact CD1-CD2 4.26Å; L149-W165 HydrophobicContact CB-CH2 3.85Å; L149-W165 HydrophobicContact CB-CZ2 4.45Å; L149-W165 HydrophobicContact CB-CZ3 4.08Å; L149-W165 HydrophobicContact CD1-CZ3 4.17Å; L149-A186 CarbonylContact O-C 3.57Å; L149-A186 VanDerWaalsContact O-CA 3.25Å; L149-A186 WeakPolarHBondContact O-CA 3.48Å; L149-L187 HydrophobicContact CB-CB 4.28Å; L149-L187 HydrophobicContact CD1-CD2 4.12Å; L149-L187 PolarHBondContact N-O 3.39Å; L149-L187 PolarHBondContact O-N 2.81Å; L149-L189 HydrophobicContact CD1-CD1 4.49Å; L149-F199 HydrophobicContact CD1-CB 4.3Å; L149-F199 HydrophobicContact CD1-CD2 3.82Å; L149-F199 HydrophobicContact CD1-CE2 4.47Å; L149-F199 HydrophobicContact CD1-CG 4.22Å; L149-A215 HydrophobicContact CD1-CB 3.91Å; L149-V217 HydrophobicContact CD1-CG2 4.09Å; L149-V217 HydrophobicContact CD2-CG2 3.71Å; L149-V217 HydrophobicContact CG-CG2 4.41Å |
| 150 | D | 95.1 | Very high | 93.9 | Very high | 66 Ų | 66 | 59.7 Ų | 59.7 | 35% | 0.353 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 111.4 | -171.9 | -178.7 | 16.6 | 0 | 0 | 0 | 111.2 | S152 | D150-S152 WeakPolarHBondContact OD1-CB 3.18Å; D150-S152 PolarHBondContact OD1-N 2.84Å; D150-S152 PolarHBondContact OD1-OG 2.97Å; D150-S152 PolarHBondContact OD2-OG 3.39Å |
| 151 | G | 95.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 33% | 0.334 | C | S | . | . | trans | -92.4 | -0.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | R133 R153 S154 V185 | R133-G151 WeakPolarHBondContact O-CA 3.35Å; G151-R153 PolarHBondContact O-N 3.33Å; G151-R153 VanDerWaalsContact O-N 3.09Å; G151-S154 WeakPolarHBondContact O-CB 3.21Å; G151-S154 PolarHBondContact O-N 3Å; G151-S154 PolarHBondContact O-OG 2.91Å; G151-V185 VanDerWaalsContact CA-O 3.23Å; G151-V185 WeakPolarHBondContact CA-O 3.48Å; G151-V185 PolarHBondContact N-O 2.88Å | ||
| 152 | S | 94.7 | Very high | 93.9 | Very high | 65 Ų | 65 | 63.1 Ų | 63.1 | 46% | 0.455 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -16.1 | -170.9 | 67.3 | 0 | 0 | 0 | 0 | 114.7 | D150 S154 V185 | D150-S152 WeakPolarHBondContact OD1-CB 3.18Å; D150-S152 PolarHBondContact OD1-N 2.84Å; D150-S152 PolarHBondContact OD1-OG 2.97Å; D150-S152 PolarHBondContact OD2-OG 3.39Å; S152-S154 PolarHBondContact O-N 3.43Å; S152-V185 VanDerWaalsContact CA-CG1 3.43Å |
| 153 | R | 95.3 | Very high | 94.1 | Very high | 182 Ų | 182 | 63.1 Ų | 63.1 | 69% | 0.687 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | 0.8 | 176.5 | -58 | -174.4 | -178 | -160.3 | -0.4 | 113.1 | R133 G151 | R133-R153 HydrophobicContact CB-CB 3.99Å; R133-R153 WeakPolarHBondContact CD-O 3.43Å; G151-R153 PolarHBondContact O-N 3.33Å; G151-R153 VanDerWaalsContact O-N 3.09Å |
| 154 | S | 96.6 | Very high | 94.5 | Very high | 10 Ų | 10 | 62.6 Ų | 62.6 | 7% | 0.07 | 32% | 0.324 | C | S | . | . | trans | -66.7 | 140.1 | 173.2 | -55.3 | 0 | 0 | 0 | 0 | 109.9 | R131 R133 G151 S152 | R131-S154 VanDerWaalsContact O-CA 3.25Å; R131-S154 WeakPolarHBondContact O-CA 3.4Å; R131-S154 WeakPolarHBondContact O-CB 3.28Å; R133-S154 PolarHBondContact N-OG 3.01Å; G151-S154 WeakPolarHBondContact O-CB 3.21Å; G151-S154 PolarHBondContact O-N 3Å; G151-S154 PolarHBondContact O-OG 2.91Å; S152-S154 PolarHBondContact O-N 3.43Å | ||
| 155 | T | 94.8 | Very high | 94.7 | Very high | 73 Ų | 73 | 58.9 Ų | 58.9 | 45% | 0.448 | 30% | 0.303 | S | S | . | . | B | Isolated β-bridge | trans | -134.5 | 147 | -172.2 | 55.5 | 0 | 0 | 0 | 0 | 111.1 | R131 | R131-T155 PolarHBondContact N-O 2.86Å; R131-T155 PolarHBondContact O-N 3.38Å |
| 156 | D | 94.2 | Very high | 94.8 | Very high | 35 Ų | 35 | 60.3 Ų | 60.3 | 19% | 0.187 | 31% | 0.31 | C | S | . | . | trans | -138.4 | 157.8 | 176.7 | -169.7 | 54.4 | 0 | 0 | 0 | 109.3 | P130 Q158 R159 I160 | P130-D156 WeakPolarHBondContact CA-OD1 3.21Å; P130-D156 HydrophobicContact CB-CB 4.06Å; P130-D156 WeakPolarHBondContact CB-OD1 3.48Å; D156-Q158 VanDerWaalsContact C-N 3.31Å; D156-Q158 PolarHBondContact OD2-N 2.99Å; D156-Q158 VanDerWaalsContact OD2-N 3.15Å; D156-R159 PolarHBondContact OD2-N 2.81Å; D156-I160 HydrophobicContact CB-CD1 4.39Å; D156-I160 HydrophobicContact CB-CG1 3.68Å | ||
| 157 | D | 89.6 | Confident | 94.8 | Very high | 82 Ų | 82 | 61.2 Ų | 61.2 | 44% | 0.439 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -73.7 | -26.9 | 174.3 | 57.7 | -6.6 | 0 | 0 | 0 | 112 | S128 | S128-D157 WeakPolarHBondContact CB-OD2 3.37Å; S128-D157 PolarHBondContact N-OD2 3.36Å; S128-D157 PolarHBondContact OG-OD2 3.48Å |
| 158 | Q | 85.3 | Confident | 94.8 | Very high | 66 Ų | 66 | 62.2 Ų | 62.2 | 31% | 0.308 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -108.9 | -97.6 | 173 | -67.2 | 166.5 | 34.6 | 0 | 0 | 110.8 | N126 N127 D156 | N126-Q158 PolarHBondContact O-NE2 3.43Å; N127-Q158 PolarHBondContact OD1-NE2 3.08Å; N127-Q158 PolarHBondContact OD1-OE1 3.06Å; D156-Q158 VanDerWaalsContact C-N 3.31Å; D156-Q158 PolarHBondContact OD2-N 2.99Å; D156-Q158 VanDerWaalsContact OD2-N 3.15Å |
| 159 | R | 90 | Very high | 94.8 | Very high | 186 Ų | 186 | 62.2 Ų | 62.2 | 70% | 0.702 | 33% | 0.326 | S | S | * | . | trans | -152.1 | 128.9 | -173.6 | -177.2 | 175.1 | -179.4 | 166.7 | 1.8 | 111.1 | D156 V161 D205 S206 | D156-R159 PolarHBondContact OD2-N 2.81Å; R159-V161 PolarHBondContact O-N 3.45Å; R159-D205 WeakPolarHBondContact O-CA 3.35Å; R159-S206 PolarHBondContact O-N 2.94Å | ||
| 160 | I | 94.8 | Very high | 94.7 | Very high | 25 Ų | 25 | 70.7 Ų | 70.7 | 13% | 0.128 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 126.3 | 167.7 | -54.8 | 174.4 | 0 | 0 | 0 | 109.3 | P130 D156 Y163 V203 | P130-I160 HydrophobicContact CB-CG1 4.28Å; D156-I160 HydrophobicContact CB-CD1 4.39Å; D156-I160 HydrophobicContact CB-CG1 3.68Å; I160-Y163 HydrophobicContact CB-CE2 4.22Å; I160-Y163 WeakPolarHBondContact CD1-OH 3.45Å; I160-Y163 HydrophobicContact CG2-CD2 4.09Å; I160-Y163 HydrophobicContact CG2-CE1 4.45Å; I160-Y163 HydrophobicContact CG2-CE2 3.5Å; I160-V203 HydrophobicContact CG2-CB 4.03Å |
| 161 | V | 95.3 | Very high | 94.7 | Very high | 95 Ų | 95 | 68.2 Ų | 68.2 | 58% | 0.576 | 35% | 0.354 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.3 | -35 | -178.9 | 172.7 | 0 | 0 | 0 | 0 | 111.9 | R159 T204 | R159-V161 PolarHBondContact O-N 3.45Å; V161-T204 PolarHBondContact N-O 3.11Å |
| 162 | S | 95.9 | Very high | 94.8 | Very high | 50 Ų | 50 | 70 Ų | 70 | 35% | 0.35 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 147.5 | -178 | 69.5 | 0 | 0 | 0 | 0 | 113.2 | V203 T204 | S162-V203 WeakPolarHBondContact O-CA 3.39Å; S162-T204 PolarHBondContact N-O 2.62Å; S162-T204 PolarHBondContact O-N 2.91Å; S162-T204 VanDerWaalsContact OG-CB 3.29Å; S162-T204 WeakPolarHBondContact OG-CB 3.43Å; S162-T204 PolarHBondContact OG-OG1 3.28Å |
| 163 | Y | 97.3 | Very high | 94.8 | Very high | 39 Ų | 39 | 71.3 Ų | 71.3 | 15% | 0.153 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 138.5 | 171.3 | -67.7 | -103.8 | 0 | 0 | 0 | 107.4 | I160 H183 S184 V185 L201 V203 | I160-Y163 HydrophobicContact CB-CE2 4.22Å; I160-Y163 WeakPolarHBondContact CD1-OH 3.45Å; I160-Y163 HydrophobicContact CG2-CD2 4.09Å; I160-Y163 HydrophobicContact CG2-CE1 4.45Å; I160-Y163 HydrophobicContact CG2-CE2 3.5Å; Y163-H183 CarbonylContact O-C 3.55Å; Y163-H183 VanDerWaalsContact O-CA 3.31Å; Y163-H183 WeakPolarHBondContact O-CA 3.46Å; Y163-S184 WeakPolarHBondContact CB-O 3.44Å; Y163-V185 HydrophobicContact CD2-CG2 4.02Å; Y163-V185 HydrophobicContact CE1-CG1 4.32Å; Y163-V185 HydrophobicContact CE1-CG2 4.4Å; Y163-V185 HydrophobicContact CE2-CG2 3.81Å; Y163-V185 HydrophobicContact CG-CG2 4.43Å; Y163-L201 HydrophobicContact CD1-CD1 4.17Å; Y163-V203 HydrophobicContact CD1-CG1 3.64Å; Y163-V203 HydrophobicContact CE1-CG1 3.71Å; Y163-V203 HydrophobicContact CG-CG1 4.38Å |
| 164 | L | 97.8 | Very high | 94.7 | Very high | 50 Ų | 50 | 64.6 Ų | 64.6 | 26% | 0.262 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 117.8 | 176.5 | 176.2 | 65.5 | 0 | 0 | 0 | 109.7 | I166 D182 H183 R202 | L164-I166 HydrophobicContact CD2-CD1 3.94Å; L164-I166 HydrophobicContact CD2-CG1 4.12Å; L164-I166 HydrophobicContact CG-CD1 4.27Å; L164-I166 HydrophobicContact CG-CG1 3.92Å; L164-D182 CarbonylContact C-O 3.49Å; L164-D182 WeakPolarHBondContact CA-O 3.47Å; L164-H183 VanDerWaalsContact CD1-CE1 3.47Å; L164-H183 WeakPolarHBondContact CD1-CE1 3.41Å; L164-R202 HydrophobicContact CB-CB 4.37Å; L164-R202 PolarHBondContact N-O 3.48Å; L164-R202 PolarHBondContact O-N 2.8Å |
| 165 | W | 97.6 | Very high | 94.5 | Very high | 9 Ų | 9 | 64.2 Ų | 64.2 | 3% | 0.034 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 125.3 | 174.1 | -64.1 | 88.1 | 0 | 0 | 0 | 110.2 | A134 L149 D182 S184 L187 F199 H200 L201 A215 | A134-W165 HydrophobicContact CB-CH2 4.16Å; A134-W165 HydrophobicContact CB-CZ3 3.99Å; A134-W165 WeakPolarHBondContact O-CH2 3.42Å; L149-W165 HydrophobicContact CB-CH2 3.85Å; L149-W165 HydrophobicContact CB-CZ2 4.45Å; L149-W165 HydrophobicContact CB-CZ3 4.08Å; L149-W165 HydrophobicContact CD1-CZ3 4.17Å; W165-D182 HydrophobicContact CB-CB 4.31Å; W165-D182 PolarHBondContact N-O 3.11Å; W165-S184 PolarHBondContact NE1-O 3.25Å; W165-L187 HydrophobicContact CB-CD1 4.1Å; W165-L187 HydrophobicContact CB-CD2 4.02Å; W165-L187 HydrophobicContact CB-CG 4.45Å; W165-L187 HydrophobicContact CD2-CB 3.7Å; W165-L187 HydrophobicContact CD2-CD2 4.03Å; W165-L187 HydrophobicContact CD2-CG 4.38Å; W165-L187 HydrophobicContact CE3-CB 4.26Å; W165-L187 HydrophobicContact CE3-CD2 4Å; W165-L187 HydrophobicContact CG-CB 3.82Å; W165-L187 HydrophobicContact CG-CD1 4.22Å; W165-L187 HydrophobicContact CG-CD2 4.07Å; W165-L187 HydrophobicContact CG-CG 4.25Å; W165-L187 HydrophobicContact CZ2-CB 4.26Å; W165-F199 HydrophobicContact CE3-CB 4.15Å; W165-H200 CarbonylContact C-O 3.58Å; W165-H200 WeakPolarHBondContact CA-O 3.43Å; W165-L201 HydrophobicContact CD2-CB 4.21Å; W165-L201 HydrophobicContact CD2-CD1 3.79Å; W165-L201 HydrophobicContact CD2-CG 4.49Å; W165-L201 HydrophobicContact CE3-CB 3.86Å; W165-L201 HydrophobicContact CE3-CD1 4.33Å; W165-L201 HydrophobicContact CG-CD1 4.14Å; W165-L201 HydrophobicContact CH2-CB 4.06Å; W165-L201 HydrophobicContact CH2-CD1 4.46Å; W165-L201 HydrophobicContact CH2-CD2 3.88Å; W165-L201 HydrophobicContact CH2-CG 4.34Å; W165-L201 HydrophobicContact CZ2-CB 4.37Å; W165-L201 HydrophobicContact CZ2-CD1 3.93Å; W165-L201 HydrophobicContact CZ2-CD2 3.78Å; W165-L201 HydrophobicContact CZ2-CG 4.22Å; W165-L201 HydrophobicContact CZ3-CB 3.8Å; W165-L201 HydrophobicContact CZ3-CD2 4.48Å; W165-A215 HydrophobicContact CZ3-CB 4.24Å |
| 166 | I | 96.8 | Very high | 94.5 | Very high | 81 Ų | 81 | 64.7 Ų | 64.7 | 42% | 0.415 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 120.1 | -179.6 | -54.5 | 175 | 0 | 0 | 0 | 108 | L164 F199 H200 | L164-I166 HydrophobicContact CD2-CD1 3.94Å; L164-I166 HydrophobicContact CD2-CG1 4.12Å; L164-I166 HydrophobicContact CG-CD1 4.27Å; L164-I166 HydrophobicContact CG-CG1 3.92Å; I166-F199 CarbonylContact O-C 3.4Å; I166-F199 WeakPolarHBondContact O-CA 3.19Å; I166-H200 HydrophobicContact CB-CB 4.44Å; I166-H200 PolarHBondContact N-O 2.82Å; I166-H200 PolarHBondContact O-N 3.31Å |
| 167 | R | 96.7 | Very high | 94.6 | Very high | 68 Ų | 68 | 65.7 Ų | 65.7 | 26% | 0.257 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 133.3 | 172.4 | -173.6 | 179.3 | -60.4 | 175.3 | 10.7 | 109.8 | P172 A173 G175 F199 | R167-P172 PolarHBondContact NH1-O 2.72Å; R167-A173 PolarHBondContact NH1-O 2.67Å; R167-G175 PolarHBondContact NH1-O 2.88Å; R167-G175 VanDerWaalsContact NH1-O 3.14Å; R167-G175 PolarHBondContact NH2-O 3.24Å; R167-F199 HydrophobicContact CB-CD1 3.99Å; R167-F199 HydrophobicContact CB-CE1 3.76Å; R167-F199 HydrophobicContact CG-CD1 4.33Å; R167-F199 HydrophobicContact CG-CE1 3.9Å; R167-F199 HydrophobicContact CG-CZ 4.31Å |
| 168 | D | 96.6 | Very high | 94.9 | Very high | 50 Ų | 50 | 64.2 Ų | 64.2 | 27% | 0.267 | 36% | 0.36 | S | S | . | . | trans | -67.3 | 137.6 | 173.8 | -168.8 | -86 | 0 | 0 | 0 | 111.4 | Q170 S171 T198 H200 | D168-Q170 PolarHBondContact O-N 2.99Å; D168-Q170 VanDerWaalsContact O-N 3.15Å; D168-Q170 WeakPolarHBondContact OD1-CB 3.43Å; D168-Q170 PolarHBondContact OD1-N 2.95Å; D168-S171 VanDerWaalsContact O-CB 3.24Å; D168-S171 WeakPolarHBondContact O-CB 3.35Å; D168-S171 PolarHBondContact O-N 3.49Å; D168-S171 PolarHBondContact O-OG 2.63Å; D168-T198 HydrophobicContact CB-CG2 4.28Å; D168-T198 WeakPolarHBondContact CB-O 3.24Å; D168-T198 PolarHBondContact N-O 3.43Å; D168-H200 IonicContact OD2-CD2 3.44Å; D168-H200 IonicContact OD2-NE2 3.45Å; D168-H200 PolarHBondContact OD2-NE2 3.18Å | ||
| 169 | G | 95.1 | Very high | 95.3 | Very high | 74 Ų | 74 | 68.6 Ų | 68.6 | 76% | 0.763 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -16 | -177 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 170 | Q | 94.5 | Very high | 95.4 | Very high | 178 Ų | 178 | 61.8 Ų | 61.8 | 83% | 0.832 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | -10.1 | 173.5 | -57.1 | -55.4 | -59.5 | 0 | 0 | 113.1 | D168 | D168-Q170 PolarHBondContact O-N 2.99Å; D168-Q170 VanDerWaalsContact O-N 3.15Å; D168-Q170 WeakPolarHBondContact OD1-CB 3.43Å; D168-Q170 PolarHBondContact OD1-N 2.95Å |
| 171 | S | 95.8 | Very high | 95.5 | Very high | 14 Ų | 14 | 61 Ų | 61 | 10% | 0.098 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -75 | 154.7 | 177.8 | -57.4 | 0 | 0 | 0 | 0 | 111.3 | D168 A173 T198 | D168-S171 VanDerWaalsContact O-CB 3.24Å; D168-S171 WeakPolarHBondContact O-CB 3.35Å; D168-S171 PolarHBondContact O-N 3.49Å; D168-S171 PolarHBondContact O-OG 2.63Å; S171-A173 PolarHBondContact O-N 3.45Å; S171-T198 PolarHBondContact OG-N 3.14Å; S171-T198 PolarHBondContact OG-O 3.15Å |
| 172 | P | 95.8 | Very high | 95.5 | Very high | 37 Ų | 37 | 58.7 Ų | 58.7 | 24% | 0.24 | 36% | 0.355 | C | S | . | . | trans | -54.3 | 136.5 | 173.3 | -23.6 | 31.8 | 0 | 0 | 0 | 112.4 | R167 A174 V193 V196 Y197 | R167-P172 PolarHBondContact NH1-O 2.72Å; P172-A174 VanDerWaalsContact C-N 3.32Å; P172-V193 HydrophobicContact CB-CG2 4.34Å; P172-V196 WeakPolarHBondContact CD-O 3.18Å; P172-Y197 HydrophobicContact CB-CE1 3.76Å; P172-Y197 HydrophobicContact CB-CE2 4.37Å; P172-Y197 HydrophobicContact CG-CD1 4.5Å; P172-Y197 HydrophobicContact CG-CD2 4.48Å; P172-Y197 HydrophobicContact CG-CE1 4.1Å; P172-Y197 HydrophobicContact CG-CE2 4.06Å; P172-Y197 WeakPolarHBondContact O-CE1 3.43Å | ||
| 173 | A | 94.6 | Very high | 95.5 | Very high | 94 Ų | 94 | 62.4 Ų | 62.4 | 78% | 0.777 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -72 | -28.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | R167 S171 | R167-A173 PolarHBondContact NH1-O 2.67Å; S171-A173 PolarHBondContact O-N 3.45Å |
| 174 | A | 93.4 | Very high | 95.5 | Very high | 41 Ų | 41 | 62.6 Ų | 62.6 | 34% | 0.339 | 37% | 0.374 | S | S | . | . | trans | -67 | 140.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | P172 V193 Y197 | P172-A174 VanDerWaalsContact C-N 3.32Å; A174-V193 HydrophobicContact CB-CB 4.49Å; A174-V193 HydrophobicContact CB-CG1 3.9Å; A174-V193 HydrophobicContact CB-CG2 3.76Å; A174-Y197 WeakPolarHBondContact O-CE1 3.49Å; A174-Y197 VanDerWaalsContact O-CZ 3.3Å; A174-Y197 PolarHBondContact O-OH 2.88Å | ||
| 175 | G | 92.1 | Very high | 95.4 | Very high | 2 Ų | 2 | 63 Ų | 63 | 2% | 0.021 | 38% | 0.378 | C | S | . | . | trans | 121.2 | 115 | -174 | 0 | 0 | 0 | 0 | 0 | 108.9 | R167 T190 N191 | R167-G175 PolarHBondContact NH1-O 2.88Å; R167-G175 VanDerWaalsContact NH1-O 3.14Å; R167-G175 PolarHBondContact NH2-O 3.24Å; G175-T190 CarbonylContact C-O 3.56Å; G175-T190 VanDerWaalsContact CA-O 3.24Å; G175-T190 WeakPolarHBondContact CA-O 3.45Å; G175-N191 PolarHBondContact N-O 3.31Å | ||
| 176 | D | 95.1 | Very high | 95.3 | Very high | 83 Ų | 83 | 64 Ų | 64 | 44% | 0.444 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 134.2 | -169.9 | -57.5 | -46.4 | 0 | 0 | 0 | 109.6 | L189 T190 N191 | D176-L189 WeakPolarHBondContact O-CA 3.33Å; D176-T190 PolarHBondContact N-O 3.43Å; D176-T190 PolarHBondContact O-N 2.95Å; D176-N191 VanDerWaalsContact OD2-CB 3.31Å; D176-N191 WeakPolarHBondContact OD2-CB 3.23Å; D176-N191 PolarHBondContact OD2-ND2 2.91Å |
| 177 | V | 96.4 | Very high | 95.3 | Very high | 56 Ų | 56 | 60.2 Ų | 60.2 | 34% | 0.339 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 125.8 | 172.5 | 180 | 0 | 0 | 0 | 0 | 108 | S181 D182 L187 L189 | V177-S181 WeakPolarHBondContact CG1-OG 3.24Å; V177-D182 HydrophobicContact CG1-CB 4.05Å; V177-L187 HydrophobicContact CG1-CD1 3.94Å; V177-L187 HydrophobicContact CG2-CD1 4.27Å; V177-L189 HydrophobicContact CG2-CD2 4Å |
| 178 | I | 95.8 | Very high | 95.3 | Very high | 51 Ų | 51 | 60.7 Ų | 60.7 | 26% | 0.262 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -87.5 | 138.7 | -179.1 | -47.2 | 171.9 | 0 | 0 | 0 | 109.3 | G180 S181 Q188 T190 | I178-G180 PolarHBondContact O-N 3.35Å; I178-S181 WeakPolarHBondContact O-CB 3.33Å; I178-S181 PolarHBondContact O-N 2.79Å; I178-S181 PolarHBondContact O-OG 2.94Å; I178-Q188 HydrophobicContact CB-CB 4.16Å; I178-Q188 HydrophobicContact CD1-CB 4.02Å; I178-Q188 HydrophobicContact CG1-CB 4.33Å; I178-Q188 PolarHBondContact N-O 3.45Å; I178-T190 HydrophobicContact CD1-CG2 3.31Å; I178-T190 HydrophobicContact CG1-CG2 3.96Å |
| 179 | D | 93.1 | Very high | 95.3 | Very high | 157 Ų | 157 | 58.4 Ų | 58.4 | 84% | 0.84 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.8 | 28.8 | 169.3 | -62.8 | -23.4 | 0 | 0 | 0 | 115.8 | S181 | D179-S181 PolarHBondContact O-N 2.99Š|
| 180 | G | 93 | Very high | 95.4 | Very high | 44 Ų | 44 | 57.1 Ų | 57.1 | 45% | 0.454 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.4 | 29.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | I178 D182 H183 | I178-G180 PolarHBondContact O-N 3.35Å; G180-D182 VanDerWaalsContact CA-OD1 3.25Å; G180-D182 WeakPolarHBondContact CA-OD1 3.32Å; G180-D182 PolarHBondContact O-N 3.44Å; G180-D182 VanDerWaalsContact O-OD1 3.12Å; G180-H183 PolarHBondContact O-N 2.65Å |
| 181 | S | 96.2 | Very high | 95.4 | Very high | 8 Ų | 8 | 52.4 Ų | 52.4 | 6% | 0.056 | 32% | 0.319 | C | S | . | . | G | 310 helix | trans | -64.2 | -7.1 | -179.3 | 55.8 | 0 | 0 | 0 | 0 | 114.2 | V177 I178 D179 H183 S184 Q188 | V177-S181 WeakPolarHBondContact CG1-OG 3.24Å; I178-S181 WeakPolarHBondContact O-CB 3.33Å; I178-S181 PolarHBondContact O-N 2.79Å; I178-S181 PolarHBondContact O-OG 2.94Å; D179-S181 PolarHBondContact O-N 2.99Å; S181-H183 PolarHBondContact O-N 3.47Å; S181-S184 WeakPolarHBondContact CA-OG 3.19Å; S181-S184 WeakPolarHBondContact O-CB 3.36Å; S181-S184 PolarHBondContact O-N 3.35Å; S181-S184 PolarHBondContact O-OG 2.95Å; S181-Q188 PolarHBondContact OG-N 3.47Å; S181-Q188 PolarHBondContact OG-O 3.15Å |
| 182 | D | 96.4 | Very high | 95.4 | Very high | 46 Ų | 46 | 52 Ų | 52 | 25% | 0.246 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -64.6 | -18.4 | 170.6 | 58.6 | -45.4 | 0 | 0 | 0 | 113.9 | L164 W165 V177 G180 L187 | L164-D182 CarbonylContact C-O 3.49Å; L164-D182 WeakPolarHBondContact CA-O 3.47Å; W165-D182 HydrophobicContact CB-CB 4.31Å; W165-D182 PolarHBondContact N-O 3.11Å; V177-D182 HydrophobicContact CG1-CB 4.05Å; G180-D182 VanDerWaalsContact CA-OD1 3.25Å; G180-D182 WeakPolarHBondContact CA-OD1 3.32Å; G180-D182 PolarHBondContact O-N 3.44Å; G180-D182 VanDerWaalsContact O-OD1 3.12Å; D182-L187 HydrophobicContact CB-CD1 4.12Å |
| 183 | H | 96.1 | Very high | 95.3 | Very high | 128 Ų | 128 | 53 Ų | 53 | 59% | 0.593 | 32% | 0.322 | S | S | * | . | G | 310 helix | trans | -101.3 | 9.2 | 171.3 | -69 | -80.1 | 0 | 0 | 0 | 113.9 | Y163 L164 G180 S181 | Y163-H183 CarbonylContact O-C 3.55Å; Y163-H183 VanDerWaalsContact O-CA 3.31Å; Y163-H183 WeakPolarHBondContact O-CA 3.46Å; L164-H183 VanDerWaalsContact CD1-CE1 3.47Å; L164-H183 WeakPolarHBondContact CD1-CE1 3.41Å; G180-H183 PolarHBondContact O-N 2.65Å; S181-H183 PolarHBondContact O-N 3.47Å |
| 184 | S | 96.1 | Very high | 95.3 | Very high | 44 Ų | 44 | 53.8 Ų | 53.8 | 31% | 0.308 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -111.1 | 170 | -173.9 | 83.7 | 0 | 0 | 0 | 0 | 112.5 | Y163 W165 S181 A186 | Y163-S184 WeakPolarHBondContact CB-O 3.44Å; W165-S184 PolarHBondContact NE1-O 3.25Å; S181-S184 WeakPolarHBondContact CA-OG 3.19Å; S181-S184 WeakPolarHBondContact O-CB 3.36Å; S181-S184 PolarHBondContact O-N 3.35Å; S181-S184 PolarHBondContact O-OG 2.95Å; S184-A186 PolarHBondContact O-N 3.01Å; S184-A186 PolarHBondContact OG-N 3.1Å; S184-A186 PolarHBondContact OG-O 2.82Å |
| 185 | V | 95.7 | Very high | 95.4 | Very high | 59 Ų | 59 | 53 Ų | 53 | 36% | 0.358 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -61.8 | -32.9 | 177.1 | -176.7 | 0 | 0 | 0 | 0 | 111.7 | G151 S152 Y163 | G151-V185 VanDerWaalsContact CA-O 3.23Å; G151-V185 WeakPolarHBondContact CA-O 3.48Å; G151-V185 PolarHBondContact N-O 2.88Å; S152-V185 VanDerWaalsContact CA-CG1 3.43Å; Y163-V185 HydrophobicContact CD2-CG2 4.02Å; Y163-V185 HydrophobicContact CE1-CG1 4.32Å; Y163-V185 HydrophobicContact CE1-CG2 4.4Å; Y163-V185 HydrophobicContact CE2-CG2 3.81Å; Y163-V185 HydrophobicContact CG-CG2 4.43Å |
| 186 | A | 95.9 | Very high | 95.6 | Very high | 29 Ų | 29 | 56.8 Ų | 56.8 | 24% | 0.24 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 111.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | T148 L149 S184 Q188 | T148-A186 HydrophobicContact CG2-CB 3.89Å; L149-A186 CarbonylContact O-C 3.57Å; L149-A186 VanDerWaalsContact O-CA 3.25Å; L149-A186 WeakPolarHBondContact O-CA 3.48Å; S184-A186 PolarHBondContact O-N 3.01Å; S184-A186 PolarHBondContact OG-N 3.1Å; S184-A186 PolarHBondContact OG-O 2.82Å; A186-Q188 PolarHBondContact O-N 3.01Å |
| 187 | L | 96.9 | Very high | 95.7 | Very high | 1 Ų | 1 | 52.8 Ų | 52.8 | 1% | 0.005 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 121.5 | 178.4 | 177.5 | 68.7 | 0 | 0 | 0 | 110.1 | T148 L149 W165 V177 D182 L189 F199 | T148-L187 CarbonylContact C-O 3.55Å; T148-L187 VanDerWaalsContact CA-O 3.25Å; T148-L187 WeakPolarHBondContact CA-O 3.35Å; L149-L187 HydrophobicContact CB-CB 4.28Å; L149-L187 HydrophobicContact CD1-CD2 4.12Å; L149-L187 PolarHBondContact N-O 3.39Å; L149-L187 PolarHBondContact O-N 2.81Å; W165-L187 HydrophobicContact CB-CD1 4.1Å; W165-L187 HydrophobicContact CB-CD2 4.02Å; W165-L187 HydrophobicContact CB-CG 4.45Å; W165-L187 HydrophobicContact CD2-CB 3.7Å; W165-L187 HydrophobicContact CD2-CD2 4.03Å; W165-L187 HydrophobicContact CD2-CG 4.38Å; W165-L187 HydrophobicContact CE3-CB 4.26Å; W165-L187 HydrophobicContact CE3-CD2 4Å; W165-L187 HydrophobicContact CG-CB 3.82Å; W165-L187 HydrophobicContact CG-CD1 4.22Å; W165-L187 HydrophobicContact CG-CD2 4.07Å; W165-L187 HydrophobicContact CG-CG 4.25Å; W165-L187 HydrophobicContact CZ2-CB 4.26Å; V177-L187 HydrophobicContact CG1-CD1 3.94Å; V177-L187 HydrophobicContact CG2-CD1 4.27Å; D182-L187 HydrophobicContact CB-CD1 4.12Å; L187-L189 HydrophobicContact CD1-CD2 4.42Å; L187-L189 HydrophobicContact CD2-CD1 4.05Å; L187-L189 HydrophobicContact CD2-CD2 4.19Å; L187-L189 HydrophobicContact CD2-CG 4.15Å; L187-L189 HydrophobicContact CG-CD1 4.46Å; L187-L189 HydrophobicContact CG-CD2 4.22Å; L187-L189 HydrophobicContact CG-CG 4.08Å; L187-F199 HydrophobicContact CD2-CD1 3.62Å; L187-F199 HydrophobicContact CD2-CD2 4.49Å; L187-F199 HydrophobicContact CD2-CE1 3.82Å; L187-F199 HydrophobicContact CD2-CG 3.99Å; L187-F199 HydrophobicContact CD2-CZ 4.35Å |
| 188 | Q | 96.8 | Very high | 95.8 | Very high | 79 Ų | 79 | 51.9 Ų | 51.9 | 37% | 0.369 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 122.4 | 177.6 | -61.3 | -172.1 | 1.1 | 0 | 0 | 110.6 | T148 I178 S181 A186 | T148-Q188 HydrophobicContact CG2-CG 4.03Å; I178-Q188 HydrophobicContact CB-CB 4.16Å; I178-Q188 HydrophobicContact CD1-CB 4.02Å; I178-Q188 HydrophobicContact CG1-CB 4.33Å; I178-Q188 PolarHBondContact N-O 3.45Å; S181-Q188 PolarHBondContact OG-N 3.47Å; S181-Q188 PolarHBondContact OG-O 3.15Å; A186-Q188 PolarHBondContact O-N 3.01Å |
| 189 | L | 96.3 | Very high | 95.8 | Very high | 2 Ų | 2 | 49.6 Ų | 49.6 | 1% | 0.01 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 140.1 | -178.4 | -62.6 | 166.1 | 0 | 0 | 0 | 110.2 | S146 I147 L149 D176 V177 L187 L192 F199 | S146-L189 CarbonylContact C-O 3.56Å; S146-L189 WeakPolarHBondContact CA-O 3.39Å; S146-L189 VanDerWaalsContact CB-O 3.26Å; S146-L189 WeakPolarHBondContact CB-O 3.26Å; I147-L189 HydrophobicContact CG2-CB 4.18Å; I147-L189 HydrophobicContact CG2-CD1 4.12Å; I147-L189 PolarHBondContact N-O 3.39Å; I147-L189 PolarHBondContact O-N 2.98Å; L149-L189 HydrophobicContact CD1-CD1 4.49Å; D176-L189 WeakPolarHBondContact O-CA 3.33Å; V177-L189 HydrophobicContact CG2-CD2 4Å; L187-L189 HydrophobicContact CD1-CD2 4.42Å; L187-L189 HydrophobicContact CD2-CD1 4.05Å; L187-L189 HydrophobicContact CD2-CD2 4.19Å; L187-L189 HydrophobicContact CD2-CG 4.15Å; L187-L189 HydrophobicContact CG-CD1 4.46Å; L187-L189 HydrophobicContact CG-CD2 4.22Å; L187-L189 HydrophobicContact CG-CG 4.08Å; L189-L192 HydrophobicContact CB-CD1 4.27Å; L189-L192 HydrophobicContact CB-CD2 4.31Å; L189-L192 HydrophobicContact CB-CG 4.4Å; L189-F199 HydrophobicContact CD1-CD2 4.29Å; L189-F199 HydrophobicContact CD1-CE1 4.22Å; L189-F199 HydrophobicContact CD1-CE2 3.41Å; L189-F199 VanDerWaalsContact CD1-CE2 3.41Å; L189-F199 HydrophobicContact CD1-CZ 3.38Å; L189-F199 HydrophobicContact CD2-CE1 4.13Å; L189-F199 HydrophobicContact CD2-CZ 3.79Å; L189-F199 HydrophobicContact CG-CZ 4.23Å |
| 190 | T | 96.7 | Very high | 96 | Very high | 47 Ų | 47 | 44.9 Ų | 44.9 | 29% | 0.288 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 174.1 | 169.5 | 49 | 0 | 0 | 0 | 0 | 110.8 | N145 G175 D176 I178 L192 | N145-T190 CarbonylContact O-C 3.54Å; G175-T190 CarbonylContact C-O 3.56Å; G175-T190 VanDerWaalsContact CA-O 3.24Å; G175-T190 WeakPolarHBondContact CA-O 3.45Å; D176-T190 PolarHBondContact N-O 3.43Å; D176-T190 PolarHBondContact O-N 2.95Å; I178-T190 HydrophobicContact CD1-CG2 3.31Å; I178-T190 HydrophobicContact CG1-CG2 3.96Å; T190-L192 PolarHBondContact O-N 2.91Å; T190-L192 VanDerWaalsContact O-N 3.15Å |
| 191 | N | 94.6 | Very high | 96.3 | Very high | 78 Ų | 78 | 42.8 Ų | 42.8 | 42% | 0.417 | 24% | 0.24 | S | C | . | . | S | Bend | trans | 59.1 | 30.5 | 174.2 | -162.3 | 25.4 | 0 | 0 | 0 | 113.3 | N145 G175 D176 | N145-N191 PolarHBondContact O-N 3.49Å; N145-N191 VanDerWaalsContact O-N 3.15Å; G175-N191 PolarHBondContact N-O 3.31Å; D176-N191 VanDerWaalsContact OD2-CB 3.31Å; D176-N191 WeakPolarHBondContact OD2-CB 3.23Å; D176-N191 PolarHBondContact OD2-ND2 2.91Å |
| 192 | L | 95.8 | Very high | 96.3 | Very high | 5 Ų | 5 | 47.6 Ų | 47.6 | 3% | 0.026 | 26% | 0.256 | C | S | . | . | trans | -68.1 | 140.9 | 176.4 | -65.9 | 171 | 0 | 0 | 0 | 110.6 | L140 N145 I147 L189 T190 Y197 V219 | L140-L192 HydrophobicContact CD2-CB 4.35Å; L140-L192 HydrophobicContact CD2-CD1 3.57Å; N145-L192 HydrophobicContact CB-CB 4.48Å; N145-L192 WeakPolarHBondContact CB-O 3.46Å; N145-L192 WeakPolarHBondContact O-CB 3.34Å; N145-L192 PolarHBondContact O-N 2.78Å; I147-L192 HydrophobicContact CB-CD1 4.41Å; I147-L192 HydrophobicContact CG2-CD1 3.67Å; L189-L192 HydrophobicContact CB-CD1 4.27Å; L189-L192 HydrophobicContact CB-CD2 4.31Å; L189-L192 HydrophobicContact CB-CG 4.4Å; T190-L192 PolarHBondContact O-N 2.91Å; T190-L192 VanDerWaalsContact O-N 3.15Å; L192-Y197 HydrophobicContact CD2-CD1 4.19Å; L192-Y197 HydrophobicContact CD2-CD2 4.22Å; L192-Y197 HydrophobicContact CD2-CE1 3.78Å; L192-Y197 HydrophobicContact CD2-CE2 3.84Å; L192-Y197 HydrophobicContact CD2-CG 4.38Å; L192-V219 HydrophobicContact CB-CG2 4.16Å; L192-V219 HydrophobicContact CD1-CG2 4.46Å | ||
| 193 | V | 94.8 | Very high | 96.4 | Very high | 60 Ų | 60 | 45.4 Ų | 45.4 | 36% | 0.364 | 25% | 0.245 | S | C | . | . | trans | -113.2 | 166.1 | 175.8 | -59.1 | 0 | 0 | 0 | 0 | 110 | P172 A174 G195 Y197 V219 | P172-V193 HydrophobicContact CB-CG2 4.34Å; A174-V193 HydrophobicContact CB-CB 4.49Å; A174-V193 HydrophobicContact CB-CG1 3.9Å; A174-V193 HydrophobicContact CB-CG2 3.76Å; V193-G195 PolarHBondContact O-N 3.38Å; V193-Y197 WeakPolarHBondContact CG2-OH 3.34Å; V193-Y197 PolarHBondContact N-OH 3.34Å; V193-Y197 VanDerWaalsContact N-OH 3.1Å; V193-Y197 WeakPolarHBondContact O-CE2 3.43Å; V193-V219 VanDerWaalsContact O-CB 3.23Å; V193-V219 WeakPolarHBondContact O-CB 3.45Å; V193-V219 WeakPolarHBondContact O-CG1 3.49Å | ||
| 194 | E | 93.9 | Very high | 96.3 | Very high | 110 Ų | 110 | 40.7 Ų | 40.7 | 51% | 0.514 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -54 | 128.6 | 175.9 | -176.3 | 177.4 | 179.1 | 0 | 0 | 111 | V219 | E194-V219 WeakPolarHBondContact CA-O 3.38Š|
| 195 | G | 95.6 | Very high | 96.3 | Very high | 23 Ų | 23 | 38.8 Ų | 38.8 | 24% | 0.237 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 151.1 | 178.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | V193 V219 | V193-G195 PolarHBondContact O-N 3.38Å; G195-V219 PolarHBondContact N-O 3Å; G195-V219 VanDerWaalsContact N-O 3.13Å; G195-V219 PolarHBondContact O-N 2.75Å |
| 196 | V | 96.8 | Very high | 96 | Very high | 82 Ų | 82 | 39.5 Ų | 39.5 | 50% | 0.497 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 121.1 | 176.7 | -177.8 | 0 | 0 | 0 | 0 | 108.8 | P172 V217 E218 | P172-V196 WeakPolarHBondContact CD-O 3.18Å; V196-V217 WeakPolarHBondContact CA-O 3.42Å; V196-E218 HydrophobicContact CG2-CG 4.27Å |
| 197 | Y | 97.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 138.2 | 175.7 | -63.9 | -101.1 | 0 | 0 | 0 | 109.9 | P172 A174 L192 V193 F199 T216 V217 V219 | P172-Y197 HydrophobicContact CB-CE1 3.76Å; P172-Y197 HydrophobicContact CB-CE2 4.37Å; P172-Y197 HydrophobicContact CG-CD1 4.5Å; P172-Y197 HydrophobicContact CG-CD2 4.48Å; P172-Y197 HydrophobicContact CG-CE1 4.1Å; P172-Y197 HydrophobicContact CG-CE2 4.06Å; P172-Y197 WeakPolarHBondContact O-CE1 3.43Å; A174-Y197 WeakPolarHBondContact O-CE1 3.49Å; A174-Y197 VanDerWaalsContact O-CZ 3.3Å; A174-Y197 PolarHBondContact O-OH 2.88Å; L192-Y197 HydrophobicContact CD2-CD1 4.19Å; L192-Y197 HydrophobicContact CD2-CD2 4.22Å; L192-Y197 HydrophobicContact CD2-CE1 3.78Å; L192-Y197 HydrophobicContact CD2-CE2 3.84Å; L192-Y197 HydrophobicContact CD2-CG 4.38Å; V193-Y197 WeakPolarHBondContact CG2-OH 3.34Å; V193-Y197 PolarHBondContact N-OH 3.34Å; V193-Y197 VanDerWaalsContact N-OH 3.1Å; V193-Y197 WeakPolarHBondContact O-CE2 3.43Å; Y197-F199 HydrophobicContact CD1-CE2 4.3Å; Y197-F199 HydrophobicContact CD1-CZ 4.33Å; Y197-F199 HydrophobicContact CG-CE2 4.34Å; Y197-T216 CarbonylContact O-C 3.47Å; Y197-T216 VanDerWaalsContact O-CA 3.26Å; Y197-T216 WeakPolarHBondContact O-CA 3.37Å; Y197-V217 PolarHBondContact N-O 3.29Å; Y197-V217 PolarHBondContact O-N 2.81Å; Y197-V219 HydrophobicContact CD2-CG2 3.87Å; Y197-V219 HydrophobicContact CE2-CG2 3.7Å |
| 198 | T | 97.2 | Very high | 95.1 | Very high | 36 Ų | 36 | 44.7 Ų | 44.7 | 22% | 0.221 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 129.3 | 173.2 | -53.2 | 0 | 0 | 0 | 0 | 108.6 | D168 S171 A215 T216 | D168-T198 HydrophobicContact CB-CG2 4.28Å; D168-T198 WeakPolarHBondContact CB-O 3.24Å; D168-T198 PolarHBondContact N-O 3.43Å; S171-T198 PolarHBondContact OG-N 3.14Å; S171-T198 PolarHBondContact OG-O 3.15Å; T198-A215 WeakPolarHBondContact CA-O 3.07Å; T198-T216 HydrophobicContact CG2-CG2 4.21Å |
| 199 | F | 97.2 | Very high | 94.9 | Very high | 3 Ų | 3 | 42.4 Ų | 42.4 | 1% | 0.013 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 136.4 | 178.1 | -67.4 | -88.2 | 0 | 0 | 0 | 109.6 | L149 W165 I166 R167 L187 L189 Y197 T214 A215 | L149-F199 HydrophobicContact CD1-CB 4.3Å; L149-F199 HydrophobicContact CD1-CD2 3.82Å; L149-F199 HydrophobicContact CD1-CE2 4.47Å; L149-F199 HydrophobicContact CD1-CG 4.22Å; W165-F199 HydrophobicContact CE3-CB 4.15Å; I166-F199 CarbonylContact O-C 3.4Å; I166-F199 WeakPolarHBondContact O-CA 3.19Å; R167-F199 HydrophobicContact CB-CD1 3.99Å; R167-F199 HydrophobicContact CB-CE1 3.76Å; R167-F199 HydrophobicContact CG-CD1 4.33Å; R167-F199 HydrophobicContact CG-CE1 3.9Å; R167-F199 HydrophobicContact CG-CZ 4.31Å; L187-F199 HydrophobicContact CD2-CD1 3.62Å; L187-F199 HydrophobicContact CD2-CD2 4.49Å; L187-F199 HydrophobicContact CD2-CE1 3.82Å; L187-F199 HydrophobicContact CD2-CG 3.99Å; L187-F199 HydrophobicContact CD2-CZ 4.35Å; L189-F199 HydrophobicContact CD1-CD2 4.29Å; L189-F199 HydrophobicContact CD1-CE1 4.22Å; L189-F199 HydrophobicContact CD1-CE2 3.41Å; L189-F199 VanDerWaalsContact CD1-CE2 3.41Å; L189-F199 HydrophobicContact CD1-CZ 3.38Å; L189-F199 HydrophobicContact CD2-CE1 4.13Å; L189-F199 HydrophobicContact CD2-CZ 3.79Å; L189-F199 HydrophobicContact CG-CZ 4.23Å; Y197-F199 HydrophobicContact CD1-CE2 4.3Å; Y197-F199 HydrophobicContact CD1-CZ 4.33Å; Y197-F199 HydrophobicContact CG-CE2 4.34Å; F199-T214 CarbonylContact O-C 3.28Å; F199-T214 WeakPolarHBondContact O-CA 3.42Å; F199-A215 PolarHBondContact N-O 2.87Å; F199-A215 PolarHBondContact O-N 3.31Å |
| 200 | H | 97.3 | Very high | 94.9 | Very high | 58 Ų | 58 | 44.2 Ų | 44.2 | 27% | 0.269 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 118.1 | 174.9 | -57.3 | -77 | 0 | 0 | 0 | 108.4 | W165 I166 D168 D213 T214 | W165-H200 CarbonylContact C-O 3.58Å; W165-H200 WeakPolarHBondContact CA-O 3.43Å; I166-H200 HydrophobicContact CB-CB 4.44Å; I166-H200 PolarHBondContact N-O 2.82Å; I166-H200 PolarHBondContact O-N 3.31Å; D168-H200 IonicContact OD2-CD2 3.44Å; D168-H200 IonicContact OD2-NE2 3.45Å; D168-H200 PolarHBondContact OD2-NE2 3.18Å; H200-D213 CarbonylContact C-O 3.6Å; H200-D213 WeakPolarHBondContact CA-O 3.49Å; H200-T214 WeakPolarHBondContact ND1-CG2 3.42Å |
| 201 | L | 97.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 115.6 | 172 | 175.2 | 55.8 | 0 | 0 | 0 | 109 | A134 Y163 W165 V203 T212 D213 | A134-L201 HydrophobicContact CB-CB 3.71Å; A134-L201 HydrophobicContact CB-CD2 4.28Å; Y163-L201 HydrophobicContact CD1-CD1 4.17Å; W165-L201 HydrophobicContact CD2-CB 4.21Å; W165-L201 HydrophobicContact CD2-CD1 3.79Å; W165-L201 HydrophobicContact CD2-CG 4.49Å; W165-L201 HydrophobicContact CE3-CB 3.86Å; W165-L201 HydrophobicContact CE3-CD1 4.33Å; W165-L201 HydrophobicContact CG-CD1 4.14Å; W165-L201 HydrophobicContact CH2-CB 4.06Å; W165-L201 HydrophobicContact CH2-CD1 4.46Å; W165-L201 HydrophobicContact CH2-CD2 3.88Å; W165-L201 HydrophobicContact CH2-CG 4.34Å; W165-L201 HydrophobicContact CZ2-CB 4.37Å; W165-L201 HydrophobicContact CZ2-CD1 3.93Å; W165-L201 HydrophobicContact CZ2-CD2 3.78Å; W165-L201 HydrophobicContact CZ2-CG 4.22Å; W165-L201 HydrophobicContact CZ3-CB 3.8Å; W165-L201 HydrophobicContact CZ3-CD2 4.48Å; L201-V203 HydrophobicContact CD1-CG1 4.23Å; L201-V203 HydrophobicContact CD2-CG1 4.25Å; L201-V203 HydrophobicContact CG-CG1 4.05Å; L201-T212 CarbonylContact O-C 3.53Å; L201-T212 VanDerWaalsContact O-CA 3.23Å; L201-T212 WeakPolarHBondContact O-CA 3.26Å; L201-D213 PolarHBondContact N-O 3.43Å; L201-D213 PolarHBondContact O-N 2.89Å |
| 202 | R | 97.4 | Very high | 95 | Very high | 109 Ų | 109 | 45.2 Ų | 45.2 | 41% | 0.411 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 125.5 | 168.6 | -173 | 176.2 | -174.6 | -175 | -0.3 | 109.8 | L164 S210 D211 T212 | L164-R202 HydrophobicContact CB-CB 4.37Å; L164-R202 PolarHBondContact N-O 3.48Å; L164-R202 PolarHBondContact O-N 2.8Å; R202-S210 PolarHBondContact NE-OG 2.96Å; R202-S210 PolarHBondContact NH2-OG 3.39Å; R202-D211 WeakPolarHBondContact CA-O 3.28Å; R202-T212 HydrophobicContact CB-CG2 3.9Å; R202-T212 HydrophobicContact CG-CG2 3.88Å |
| 203 | V | 97.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 140.4 | 172.3 | -62.3 | 0 | 0 | 0 | 0 | 109.5 | P130 A132 I160 S162 Y163 L201 S210 D211 | P130-V203 HydrophobicContact CB-CG2 3.79Å; P130-V203 HydrophobicContact CG-CG2 3.85Å; A132-V203 HydrophobicContact CB-CG2 3.78Å; I160-V203 HydrophobicContact CG2-CB 4.03Å; S162-V203 WeakPolarHBondContact O-CA 3.39Å; Y163-V203 HydrophobicContact CD1-CG1 3.64Å; Y163-V203 HydrophobicContact CE1-CG1 3.71Å; Y163-V203 HydrophobicContact CG-CG1 4.38Å; L201-V203 HydrophobicContact CD1-CG1 4.23Å; L201-V203 HydrophobicContact CD2-CG1 4.25Å; L201-V203 HydrophobicContact CG-CG1 4.05Å; V203-S210 WeakPolarHBondContact O-CA 3.42Å; V203-S210 WeakPolarHBondContact O-CB 3.42Å; V203-D211 PolarHBondContact N-O 3.27Å; V203-D211 PolarHBondContact O-N 3.08Å; V203-D211 VanDerWaalsContact O-N 3.08Å |
| 204 | T | 95.8 | Very high | 95.2 | Very high | 29 Ų | 29 | 48 Ų | 48 | 18% | 0.178 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 136.7 | -179.8 | -43.1 | 0 | 0 | 0 | 0 | 110.2 | V161 S162 A209 | V161-T204 PolarHBondContact N-O 3.11Å; S162-T204 PolarHBondContact N-O 2.62Å; S162-T204 PolarHBondContact O-N 2.91Å; S162-T204 VanDerWaalsContact OG-CB 3.29Å; S162-T204 WeakPolarHBondContact OG-CB 3.43Å; S162-T204 PolarHBondContact OG-OG1 3.28Å; T204-A209 WeakPolarHBondContact CA-O 3.26Å; T204-A209 WeakPolarHBondContact CG2-O 3.29Å |
| 205 | D | 94.7 | Very high | 95.4 | Very high | 5 Ų | 5 | 42.8 Ų | 42.8 | 3% | 0.027 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | -177.3 | 176.7 | 69.6 | 20.7 | 0 | 0 | 0 | 112.6 | N127 P130 R159 Q207 G208 A209 | N127-D205 PolarHBondContact ND2-OD2 3.16Å; P130-D205 HydrophobicContact CG-CB 4.39Å; R159-D205 WeakPolarHBondContact O-CA 3.35Å; D205-Q207 VanDerWaalsContact C-N 3.31Å; D205-Q207 VanDerWaalsContact OD1-C 3.27Å; D205-Q207 WeakPolarHBondContact OD1-CA 3.38Å; D205-Q207 PolarHBondContact OD1-N 2.9Å; D205-G208 PolarHBondContact OD1-N 2.96Å; D205-A209 PolarHBondContact N-O 3.33Å; D205-A209 PolarHBondContact OD1-N 3.42Å; D205-A209 WeakPolarHBondContact OD2-CB 3.39Å |
| 206 | S | 89.8 | Confident | 95.5 | Very high | 73 Ų | 73 | 43.6 Ų | 43.6 | 51% | 0.51 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -16.9 | 176 | 43.2 | 0 | 0 | 0 | 0 | 115.2 | R159 | R159-S206 PolarHBondContact O-N 2.94Š|
| 207 | Q | 86.4 | Confident | 95.5 | Very high | 83 Ų | 83 | 39.7 Ų | 39.7 | 39% | 0.388 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | -0.1 | 179.1 | -55.1 | -160.7 | 27.5 | 0 | 0 | 112.7 | N127 D205 | N127-Q207 HydrophobicContact CB-CG 4.46Å; N127-Q207 VanDerWaalsContact CG-CD 3.5Å; N127-Q207 PolarHBondContact OD1-NE2 3.3Å; D205-Q207 VanDerWaalsContact C-N 3.31Å; D205-Q207 VanDerWaalsContact OD1-C 3.27Å; D205-Q207 WeakPolarHBondContact OD1-CA 3.38Å; D205-Q207 PolarHBondContact OD1-N 2.9Å |
| 208 | G | 88.6 | Confident | 95.5 | Very high | 56 Ų | 56 | 42 Ų | 42 | 58% | 0.577 | 25% | 0.246 | S | C | * | . | S | Bend | trans | 87.8 | 5 | 179 | 0 | 0 | 0 | 0 | 0 | 114.9 | D205 | D205-G208 PolarHBondContact OD1-N 2.96Š|
| 209 | A | 92.3 | Very high | 95.5 | Very high | 31 Ų | 31 | 40.4 Ų | 40.4 | 26% | 0.256 | 24% | 0.237 | S | C | . | . | trans | -76.7 | 147 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | P129 T204 D205 | P129-A209 HydrophobicContact CB-CB 4.16Å; T204-A209 WeakPolarHBondContact CA-O 3.26Å; T204-A209 WeakPolarHBondContact CG2-O 3.29Å; D205-A209 PolarHBondContact N-O 3.33Å; D205-A209 PolarHBondContact OD1-N 3.42Å; D205-A209 WeakPolarHBondContact OD2-CB 3.39Å | ||
| 210 | S | 95.8 | Very high | 95.5 | Very high | 41 Ų | 41 | 43.9 Ų | 43.9 | 29% | 0.287 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 151.7 | -175.5 | 68 | 0 | 0 | 0 | 0 | 112.2 | R202 V203 | R202-S210 PolarHBondContact NE-OG 2.96Å; R202-S210 PolarHBondContact NH2-OG 3.39Å; V203-S210 WeakPolarHBondContact O-CA 3.42Å; V203-S210 WeakPolarHBondContact O-CB 3.42Å |
| 211 | D | 97 | Very high | 95.2 | Very high | 58 Ų | 58 | 43.9 Ų | 43.9 | 31% | 0.31 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 159.9 | 173.5 | -177.2 | 41.6 | 0 | 0 | 0 | 110.6 | P130 R131 A132 R202 V203 | P130-D211 WeakPolarHBondContact O-CB 3.41Å; R131-D211 WeakPolarHBondContact CA-OD2 3.37Å; A132-D211 HydrophobicContact CB-CB 4.39Å; A132-D211 PolarHBondContact N-OD2 3.27Å; R202-D211 WeakPolarHBondContact CA-O 3.28Å; V203-D211 PolarHBondContact N-O 3.27Å; V203-D211 PolarHBondContact O-N 3.08Å; V203-D211 VanDerWaalsContact O-N 3.08Å |
| 212 | T | 97.4 | Very high | 94.8 | Very high | 87 Ų | 87 | 44.6 Ų | 44.6 | 53% | 0.534 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 131.6 | -175.6 | 55.7 | 0 | 0 | 0 | 0 | 112.2 | L201 R202 | L201-T212 CarbonylContact O-C 3.53Å; L201-T212 VanDerWaalsContact O-CA 3.23Å; L201-T212 WeakPolarHBondContact O-CA 3.26Å; R202-T212 HydrophobicContact CB-CG2 3.9Å; R202-T212 HydrophobicContact CG-CG2 3.88Å |
| 213 | D | 97.7 | Very high | 94.3 | Very high | 55 Ų | 55 | 44.3 Ų | 44.3 | 29% | 0.294 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 159.3 | 172.7 | -173.8 | 30.3 | 0 | 0 | 0 | 111 | A132 R133 A134 H200 L201 | A132-D213 HydrophobicContact CB-CB 3.59Å; A132-D213 WeakPolarHBondContact O-CB 3.46Å; R133-D213 VanDerWaalsContact CA-OD2 3.31Å; R133-D213 WeakPolarHBondContact CA-OD2 3.35Å; A134-D213 HydrophobicContact CB-CB 4.05Å; A134-D213 PolarHBondContact N-OD2 3.02Å; H200-D213 CarbonylContact C-O 3.6Å; H200-D213 WeakPolarHBondContact CA-O 3.49Å; L201-D213 PolarHBondContact N-O 3.43Å; L201-D213 PolarHBondContact O-N 2.89Å |
| 214 | T | 97.2 | Very high | 93.8 | Very high | 69 Ų | 69 | 48.8 Ų | 48.8 | 42% | 0.423 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 135.9 | -173 | 66 | 0 | 0 | 0 | 0 | 112.2 | F199 H200 | F199-T214 CarbonylContact O-C 3.28Å; F199-T214 WeakPolarHBondContact O-CA 3.42Å; H200-T214 WeakPolarHBondContact ND1-CG2 3.42Å |
| 215 | A | 97.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 140.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | A134 G136 L149 W165 T198 F199 | A134-A215 HydrophobicContact CB-CB 3.8Å; A134-A215 VanDerWaalsContact O-CB 3.29Å; A134-A215 WeakPolarHBondContact O-CB 3.43Å; G136-A215 CarbonylContact O-C 3.53Å; G136-A215 VanDerWaalsContact O-CA 3.28Å; G136-A215 WeakPolarHBondContact O-CA 3.44Å; L149-A215 HydrophobicContact CD1-CB 3.91Å; W165-A215 HydrophobicContact CZ3-CB 4.24Å; T198-A215 WeakPolarHBondContact CA-O 3.07Å; F199-A215 PolarHBondContact N-O 2.87Å; F199-A215 PolarHBondContact O-N 3.31Å |
| 216 | T | 97.3 | Very high | 92.8 | Very high | 41 Ų | 41 | 55.4 Ų | 55.4 | 25% | 0.252 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 137.1 | 177.9 | 52.8 | 0 | 0 | 0 | 0 | 110.5 | G136 R137 H138 Y197 T198 | G136-T216 PolarHBondContact O-N 2.79Å; R137-T216 CarbonylContact C-O 3.58Å; R137-T216 WeakPolarHBondContact CA-O 3.46Å; R137-T216 WeakPolarHBondContact CA-OG1 3.41Å; R137-T216 WeakPolarHBondContact CB-OG1 3.4Å; R137-T216 WeakPolarHBondContact CG-OG1 3.16Å; H138-T216 PolarHBondContact N-O 3.17Å; Y197-T216 CarbonylContact O-C 3.47Å; Y197-T216 VanDerWaalsContact O-CA 3.26Å; Y197-T216 WeakPolarHBondContact O-CA 3.37Å; T198-T216 HydrophobicContact CG2-CG2 4.21Å |
| 217 | V | 97.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 112.6 | 176.1 | -172.6 | 0 | 0 | 0 | 0 | 108.5 | H138 L140 I147 L149 V196 Y197 V219 | H138-V217 HydrophobicContact CB-CG1 4.49Å; H138-V217 HydrophobicContact CB-CG2 4.35Å; H138-V217 WeakPolarHBondContact O-CA 3.31Å; L140-V217 HydrophobicContact CB-CG1 4.37Å; I147-V217 HydrophobicContact CD1-CG1 4.05Å; I147-V217 HydrophobicContact CD1-CG2 4.47Å; I147-V217 HydrophobicContact CG2-CG1 4.33Å; I147-V217 HydrophobicContact CG2-CG2 4.49Å; L149-V217 HydrophobicContact CD1-CG2 4.09Å; L149-V217 HydrophobicContact CD2-CG2 3.71Å; L149-V217 HydrophobicContact CG-CG2 4.41Å; V196-V217 WeakPolarHBondContact CA-O 3.42Å; Y197-V217 PolarHBondContact N-O 3.29Å; Y197-V217 PolarHBondContact O-N 2.81Å; V217-V219 HydrophobicContact CG1-CG2 4.2Å |
| 218 | E | 97.4 | Very high | 93 | Very high | 47 Ų | 47 | 48.6 Ų | 48.6 | 22% | 0.22 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 116 | 173 | -177.1 | -175.7 | 153.1 | 0 | 0 | 109.6 | R137 H138 V139 L140 V196 Q220 | R137-E218 IonicContact CZ-OE2 3.86Å; R137-E218 IonicContact NE-OE2 2.65Å; R137-E218 IonicContact NH2-OE2 3.17Å; R137-E218 PolarHBondContact NH2-OE2 2.88Å; H138-E218 PolarHBondContact O-N 3.29Å; V139-E218 CarbonylContact C-O 3.59Å; V139-E218 WeakPolarHBondContact CA-O 3.48Å; V139-E218 HydrophobicContact CG2-CB 4.49Å; L140-E218 PolarHBondContact N-O 3.18Å; V196-E218 HydrophobicContact CG2-CG 4.27Å; E218-Q220 HydrophobicContact CG-CG 4.26Å; E218-Q220 PolarHBondContact OE1-NE2 2.81Å |
| 219 | V | 97.6 | Very high | 93.1 | Very high | 4 Ų | 4 | 46 Ų | 46 | 2% | 0.024 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 109.9 | 178.1 | -173.4 | 0 | 0 | 0 | 0 | 109 | L140 L142 L192 V193 E194 G195 Y197 V217 | L140-V219 HydrophobicContact CB-CG2 4.38Å; L140-V219 HydrophobicContact CD2-CG1 4.46Å; L140-V219 HydrophobicContact CD2-CG2 4.2Å; L140-V219 CarbonylContact O-C 3.53Å; L140-V219 WeakPolarHBondContact O-CA 3.4Å; L142-V219 HydrophobicContact CD1-CG1 4.49Å; L142-V219 HydrophobicContact CD2-CG1 4.23Å; L142-V219 HydrophobicContact CG-CG1 4.04Å; L192-V219 HydrophobicContact CB-CG2 4.16Å; L192-V219 HydrophobicContact CD1-CG2 4.46Å; V193-V219 VanDerWaalsContact O-CB 3.23Å; V193-V219 WeakPolarHBondContact O-CB 3.45Å; V193-V219 WeakPolarHBondContact O-CG1 3.49Å; E194-V219 WeakPolarHBondContact CA-O 3.38Å; G195-V219 PolarHBondContact N-O 3Å; G195-V219 VanDerWaalsContact N-O 3.13Å; G195-V219 PolarHBondContact O-N 2.75Å; Y197-V219 HydrophobicContact CD2-CG2 3.87Å; Y197-V219 HydrophobicContact CE2-CG2 3.7Å; V217-V219 HydrophobicContact CG1-CG2 4.2Å |
| 220 | Q | 96.2 | Very high | 93.2 | Very high | 75 Ų | 75 | 45.4 Ų | 45.4 | 35% | 0.35 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 150 | -179.9 | -66.2 | -174.6 | -1.9 | 0 | 0 | 111.8 | V139 L140 V141 L142 E218 | V139-Q220 HydrophobicContact CG1-CG 4.22Å; L140-Q220 PolarHBondContact O-N 3.27Å; V141-Q220 HydrophobicContact CG2-CB 4.31Å; L142-Q220 PolarHBondContact N-O 2.84Å; E218-Q220 HydrophobicContact CG-CG 4.26Å; E218-Q220 PolarHBondContact OE1-NE2 2.81Å |
| 221 | P | 91.9 | Very high | 93 | Very high | 58 Ų | 58 | 43.4 Ų | 43.4 | 38% | 0.377 | 24% | 0.238 | S | C | . | . | P | Polyproline II helix | trans | -65.3 | 155.1 | 178.4 | 27.1 | -34.4 | 0 | 0 | 0 | 112.3 | P223 | P221-P223 WeakPolarHBondContact O-CD 3.42Š|
| 222 | D | 89.6 | Confident | 92.8 | Very high | 16 Ų | 16 | 40.9 Ų | 40.9 | 9% | 0.086 | 23% | 0.225 | C | C | . | . | P | Polyproline II helix | trans | -66 | 120.2 | 177.8 | -177.3 | -9.1 | 0 | 0 | 0 | 110.1 | L142 R224 K225 Q266 | L142-D222 HydrophobicContact CB-CB 3.99Å; L142-D222 VanDerWaalsContact O-CA 3.31Å; L142-D222 WeakPolarHBondContact O-CA 3.48Å; L142-D222 WeakPolarHBondContact O-CB 3.5Å; D222-R224 PolarHBondContact O-N 2.8Å; D222-R224 VanDerWaalsContact O-N 3.1Å; D222-R224 WeakPolarHBondContact OD1-CB 3.24Å; D222-R224 PolarHBondContact OD1-N 3.01Å; D222-R224 IonicContact OD1-NE 3.61Å; D222-K225 HydrophobicContact CB-CB 4.31Å; D222-K225 WeakPolarHBondContact O-CB 3.42Å; D222-K225 PolarHBondContact O-N 2.86Å; D222-Q266 PolarHBondContact OD2-NE2 3.13Å |
| 223 | P | 86.9 | Confident | 92.6 | Very high | 102 Ų | 102 | 36.8 Ų | 36.8 | 66% | 0.662 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -20.9 | 178.5 | 25.3 | -35.1 | 0 | 0 | 0 | 112.7 | V141 P221 | V141-P223 HydrophobicContact CG1-CG 4.47Å; P221-P223 WeakPolarHBondContact O-CD 3.42Å |
| 224 | R | 85.6 | Confident | 92.3 | Very high | 94 Ų | 94 | 39 Ų | 39 | 36% | 0.355 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95 | 5.6 | 178.4 | -62.4 | 171.6 | -68.3 | -170.1 | -6.1 | 113.2 | D222 S226 G227 Y281 V290 | D222-R224 PolarHBondContact O-N 2.8Å; D222-R224 VanDerWaalsContact O-N 3.1Å; D222-R224 WeakPolarHBondContact OD1-CB 3.24Å; D222-R224 PolarHBondContact OD1-N 3.01Å; D222-R224 IonicContact OD1-NE 3.61Å; R224-S226 PolarHBondContact O-N 2.89Å; R224-G227 WeakPolarHBondContact O-CA 3.21Å; R224-G227 PolarHBondContact O-N 3.1Å; R224-Y281 PolarHBondContact NH1-OH 2.98Å; R224-V290 HydrophobicContact CG-CG2 4.45Å |
| 225 | K | 85.5 | Confident | 92.1 | Very high | 104 Ų | 104 | 36 Ų | 36 | 45% | 0.452 | 19% | 0.19 | S | C | . | . | G | 310 helix | trans | -51.1 | -32.6 | -178.2 | -172.9 | 175.1 | -177.5 | 178.3 | 0 | 113.8 | D222 G227 | D222-K225 HydrophobicContact CB-CB 4.31Å; D222-K225 WeakPolarHBondContact O-CB 3.42Å; D222-K225 PolarHBondContact O-N 2.86Å; K225-G227 VanDerWaalsContact C-N 3.31Å; K225-G227 PolarHBondContact O-N 2.77Å |
| 226 | S | 84.3 | Confident | 91.9 | Very high | 69 Ų | 69 | 36.4 Ų | 36.4 | 48% | 0.483 | 19% | 0.194 | S | C | . | . | G | 310 helix | trans | -75.6 | -13 | 177.2 | 60.8 | 0 | 0 | 0 | 0 | 115.2 | R224 A293 L325 | R224-S226 PolarHBondContact O-N 2.89Å; S226-A293 VanDerWaalsContact O-CB 3.26Å; S226-A293 WeakPolarHBondContact O-CB 3.3Å; S226-A293 PolarHBondContact O-N 2.83Å; S226-L325 VanDerWaalsContact O-CD1 3.28Å; S226-L325 WeakPolarHBondContact O-CD1 3.39Å |
| 227 | G | 87.8 | Confident | 91.5 | Very high | 4 Ų | 4 | 37.1 Ų | 37.1 | 4% | 0.041 | 20% | 0.198 | C | C | . | . | G | 310 helix | trans | -100.9 | -1.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | R224 K225 Y281 | R224-G227 WeakPolarHBondContact O-CA 3.21Å; R224-G227 PolarHBondContact O-N 3.1Å; K225-G227 VanDerWaalsContact C-N 3.31Å; K225-G227 PolarHBondContact O-N 2.77Å; G227-Y281 WeakPolarHBondContact O-CB 3.22Å |
| 228 | L | 91.8 | Very high | 91.1 | Very high | 9 Ų | 9 | 41 Ų | 41 | 5% | 0.047 | 24% | 0.238 | C | C | . | . | trans | -87.9 | 132.1 | -176.9 | -64 | 173.8 | 0 | 0 | 0 | 112.4 | Q266 V279 Y281 A293 A322 | L228-Q266 HydrophobicContact CD2-CB 4.44Å; L228-V279 HydrophobicContact CB-CG1 4.06Å; L228-V279 HydrophobicContact CD1-CG1 4.34Å; L228-V279 HydrophobicContact CD2-CG1 4.2Å; L228-V279 HydrophobicContact CG-CG1 4.43Å; L228-Y281 HydrophobicContact CD2-CD1 3.88Å; L228-Y281 HydrophobicContact CD2-CG 4.43Å; L228-A293 VanDerWaalsContact O-CB 3.28Å; L228-A293 WeakPolarHBondContact O-CB 3.46Å; L228-A322 HydrophobicContact CB-CB 3.52Å; L228-A322 HydrophobicContact CD1-CB 4.36Å; L228-A322 PolarHBondContact O-N 2.82Å | ||
| 229 | V | 92.3 | Very high | 90.8 | Very high | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.006 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 134.6 | 175.3 | -179 | 0 | 0 | 0 | 0 | 108.5 | V279 F280 A293 V296 V319 D320 | V229-V279 WeakPolarHBondContact O-CA 3.46Å; V229-F280 HydrophobicContact CB-CD1 4.47Å; V229-F280 HydrophobicContact CB-CE1 4.04Å; V229-F280 HydrophobicContact CB-CE2 4.38Å; V229-F280 HydrophobicContact CB-CZ 4Å; V229-F280 HydrophobicContact CG1-CE1 3.91Å; V229-F280 HydrophobicContact CG1-CZ 3.89Å; V229-F280 PolarHBondContact N-O 2.97Å; V229-F280 PolarHBondContact O-N 2.78Å; V229-A293 HydrophobicContact CG2-CB 3.87Å; V229-V296 HydrophobicContact CG2-CB 4.03Å; V229-V296 HydrophobicContact CG2-CG1 4Å; V229-V319 HydrophobicContact CG1-CG1 4.01Å; V229-D320 CarbonylContact C-O 3.52Å; V229-D320 WeakPolarHBondContact CA-O 3.29Å; V229-D320 WeakPolarHBondContact CG1-O 3.3Å |
| 230 | E | 92.5 | Very high | 90.5 | Very high | 19 Ų | 19 | 45.3 Ų | 45.3 | 9% | 0.089 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 123.3 | 172.5 | -61.5 | -167.3 | 174.9 | 0 | 0 | 109.7 | R269 V277 V279 D320 A322 | E230-R269 IonicContact OE1-CZ 3.95Å; E230-R269 IonicContact OE1-NH2 3.11Å; E230-R269 PolarHBondContact OE1-NH2 2.68Å; E230-R269 IonicContact OE2-NH2 3.2Å; E230-R269 PolarHBondContact OE2-NH2 3.12Å; E230-V277 HydrophobicContact CB-CG1 4.21Å; E230-V277 HydrophobicContact CG-CG1 4.49Å; E230-V279 HydrophobicContact CG-CG1 4.43Å; E230-V279 HydrophobicContact CG-CG2 4.09Å; E230-D320 PolarHBondContact N-O 3.35Å; E230-D320 PolarHBondContact O-N 3.19Å; E230-A322 HydrophobicContact CG-CB 3.76Å |
| 231 | L | 92.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 114.9 | 176.6 | -179.9 | 68.5 | 0 | 0 | 0 | 109.3 | L233 L252 V277 I278 F280 L300 V316 V319 | L231-L233 HydrophobicContact CD1-CD2 4.39Å; L231-L233 HydrophobicContact CD2-CD2 3.88Å; L231-L233 HydrophobicContact CD2-CG 4.38Å; L231-L233 HydrophobicContact CG-CD2 3.82Å; L231-L233 HydrophobicContact CG-CG 4.2Å; L231-L252 HydrophobicContact CD2-CD1 3.92Å; L231-L252 HydrophobicContact CD2-CD2 4.08Å; L231-V277 WeakPolarHBondContact O-CA 3.5Å; L231-I278 PolarHBondContact N-O 2.87Å; L231-I278 PolarHBondContact O-N 2.89Å; L231-F280 HydrophobicContact CB-CE1 3.97Å; L231-F280 HydrophobicContact CD2-CE1 4.46Å; L231-L300 HydrophobicContact CD1-CD2 4.31Å; L231-V316 HydrophobicContact CD1-CB 4.39Å; L231-V316 HydrophobicContact CD1-CG1 3.49Å; L231-V316 VanDerWaalsContact CD1-CG1 3.49Å; L231-V316 HydrophobicContact CD1-CG2 3.98Å; L231-V319 HydrophobicContact CD1-CG2 3.72Å |
| 232 | T | 92.6 | Very high | 90.4 | Very high | 5 Ų | 5 | 47.7 Ų | 47.7 | 3% | 0.031 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 120.3 | 177 | -50.7 | 0 | 0 | 0 | 0 | 109.6 | T276 V277 L317 R318 | T232-T276 WeakPolarHBondContact CA-O 3.47Å; T232-V277 HydrophobicContact CG2-CG2 4.03Å; T232-L317 HydrophobicContact CG2-CB 4.22Å; T232-L317 HydrophobicContact CG2-CD1 4.25Å; T232-L317 PolarHBondContact O-N 2.89Å; T232-R318 PolarHBondContact N-O 2.78Å; T232-R318 PolarHBondContact O-N 2.9Å |
| 233 | L | 93 | Very high | 90.6 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 145.1 | -177.3 | -59.1 | 174.4 | 0 | 0 | 0 | 110.7 | L231 V235 L248 S275 T276 I278 F314 V316 | L231-L233 HydrophobicContact CD1-CD2 4.39Å; L231-L233 HydrophobicContact CD2-CD2 3.88Å; L231-L233 HydrophobicContact CD2-CG 4.38Å; L231-L233 HydrophobicContact CG-CD2 3.82Å; L231-L233 HydrophobicContact CG-CG 4.2Å; L233-V235 HydrophobicContact CB-CG1 3.89Å; L233-V235 PolarHBondContact O-N 3.32Å; L233-L248 HydrophobicContact CD1-CD1 3.52Å; L233-L248 HydrophobicContact CD1-CD2 4.37Å; L233-L248 HydrophobicContact CD2-CD1 4.23Å; L233-S275 VanDerWaalsContact O-CA 3.24Å; L233-S275 WeakPolarHBondContact O-CA 3.23Å; L233-S275 WeakPolarHBondContact O-CB 3.28Å; L233-T276 PolarHBondContact N-O 2.83Å; L233-T276 PolarHBondContact O-N 3.08Å; L233-I278 HydrophobicContact CD1-CD1 3.51Å; L233-I278 HydrophobicContact CD1-CG1 4.16Å; L233-F314 HydrophobicContact CB-CB 4.31Å; L233-F314 HydrophobicContact CD1-CD2 4.14Å; L233-F314 HydrophobicContact CD2-CB 4.41Å; L233-V316 HydrophobicContact CD2-CG2 3.86Å |
| 234 | Q | 92.8 | Very high | 91 | Very high | 103 Ų | 103 | 54.8 Ų | 54.8 | 48% | 0.481 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -81.4 | 66.2 | 173.1 | -164.9 | 177.7 | -5.3 | 0 | 0 | 111 | L274 K315 L317 | Q234-L274 CarbonylContact C-O 3.55Å; Q234-K315 HydrophobicContact CB-CB 4.27Å; Q234-K315 PolarHBondContact N-O 3.2Å; Q234-L317 HydrophobicContact CB-CD1 4.01Å; Q234-L317 HydrophobicContact CB-CD2 4.02Å; Q234-L317 HydrophobicContact CB-CG 3.95Å; Q234-L317 HydrophobicContact CG-CD1 4.44Å; Q234-L317 HydrophobicContact CG-CD2 4.44Å |
| 235 | V | 92.4 | Very high | 91.4 | Very high | 5 Ų | 5 | 52 Ų | 52 | 3% | 0.03 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -148.3 | 139.1 | 174.2 | 62.4 | 0 | 0 | 0 | 0 | 109.2 | L233 Q239 L274 S275 T276 F314 | L233-V235 HydrophobicContact CB-CG1 3.89Å; L233-V235 PolarHBondContact O-N 3.32Å; V235-Q239 HydrophobicContact CG2-CB 3.82Å; V235-L274 CarbonylContact C-O 3.55Å; V235-L274 VanDerWaalsContact C-O 3.28Å; V235-L274 PolarHBondContact N-O 2.57Å; V235-L274 CarbonylContact O-C 3.59Å; V235-S275 CarbonylContact O-C 3.56Å; V235-S275 VanDerWaalsContact O-C 3.23Å; V235-S275 VanDerWaalsContact O-CA 3.3Å; V235-S275 WeakPolarHBondContact O-CA 3.25Å; V235-T276 WeakPolarHBondContact O-CB 3.21Å; V235-T276 PolarHBondContact O-N 3.41Å; V235-T276 PolarHBondContact O-OG1 2.77Å; V235-F314 HydrophobicContact CB-CD1 3.72Å; V235-F314 HydrophobicContact CB-CE1 4.01Å; V235-F314 HydrophobicContact CB-CG 4.09Å; V235-F314 HydrophobicContact CG1-CB 4.44Å; V235-F314 HydrophobicContact CG1-CD1 4.05Å; V235-F314 HydrophobicContact CG1-CD2 4.16Å; V235-F314 HydrophobicContact CG1-CE1 4.32Å; V235-F314 HydrophobicContact CG1-CE2 4.42Å; V235-F314 HydrophobicContact CG1-CG 3.95Å; V235-F314 HydrophobicContact CG1-CZ 4.47Å; V235-F314 HydrophobicContact CG2-CD1 3.89Å; V235-F314 HydrophobicContact CG2-CE1 3.64Å; V235-F314 HydrophobicContact CG2-CZ 4.17Å |
| 236 | G | 92.4 | Very high | 91.8 | Very high | 8 Ų | 8 | 50.4 Ų | 50.4 | 8% | 0.082 | 28% | 0.275 | C | S | . | . | trans | -71.7 | 144.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | G238 Q239 D273 | G236-G238 VanDerWaalsContact C-N 3.27Å; G236-G238 PolarHBondContact O-N 3.38Å; G236-Q239 PolarHBondContact O-N 2.83Å; G236-D273 WeakPolarHBondContact CA-O 3.45Å | ||
| 237 | V | 90.1 | Very high | 92.2 | Very high | 57 Ų | 57 | 50 Ų | 50 | 35% | 0.345 | 27% | 0.27 | S | S | . | . | G | 310 helix | trans | -57.1 | -39.2 | -172.6 | 179.8 | 0 | 0 | 0 | 0 | 112.5 | Q239 L240 A270 T276 | V237-Q239 PolarHBondContact O-N 3.04Å; V237-L240 PolarHBondContact O-N 2.88Å; V237-L240 VanDerWaalsContact O-N 3.15Å; V237-A270 HydrophobicContact CG2-CB 3.52Å; V237-T276 WeakPolarHBondContact CA-OG1 3.12Å; V237-T276 HydrophobicContact CG2-CG2 3.94Å; V237-T276 VanDerWaalsContact CG2-OG1 3.29Å; V237-T276 WeakPolarHBondContact CG2-OG1 3.42Å; V237-T276 PolarHBondContact N-OG1 2.84Å; V237-T276 VanDerWaalsContact N-OG1 3.16Å |
| 238 | G | 88.9 | Confident | 92.5 | Very high | 82 Ų | 82 | 49.8 Ų | 49.8 | 85% | 0.845 | 27% | 0.268 | S | S | * | . | G | 310 helix | trans | -65 | -18.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | G236 | G236-G238 VanDerWaalsContact C-N 3.27Å; G236-G238 PolarHBondContact O-N 3.38Å |
| 239 | Q | 90.2 | Very high | 92.6 | Very high | 119 Ų | 119 | 50.1 Ų | 50.1 | 56% | 0.556 | 27% | 0.27 | S | S | * | . | G | 310 helix | trans | -91.8 | -11.9 | 177.8 | -62.3 | -177.2 | -3.6 | 0 | 0 | 113.1 | V235 G236 V237 T241 R244 | V235-Q239 HydrophobicContact CG2-CB 3.82Å; G236-Q239 PolarHBondContact O-N 2.83Å; V237-Q239 PolarHBondContact O-N 3.04Å; Q239-T241 PolarHBondContact O-N 3.28Å; Q239-T241 VanDerWaalsContact O-N 3.17Å; Q239-R244 VanDerWaalsContact O-CD 3.28Å; Q239-R244 WeakPolarHBondContact O-CD 3.49Å; Q239-R244 PolarHBondContact O-NH1 3.29Å |
| 240 | L | 91.7 | Very high | 92.7 | Very high | 21 Ų | 21 | 57.3 Ų | 57.3 | 11% | 0.11 | 30% | 0.297 | C | S | . | . | trans | -84.8 | 81.8 | 176.1 | -175.9 | 66.5 | 0 | 0 | 0 | 109.2 | V237 R244 K245 I268 T276 I278 F314 | V237-L240 PolarHBondContact O-N 2.88Å; V237-L240 VanDerWaalsContact O-N 3.15Å; L240-R244 HydrophobicContact CD1-CB 4.34Å; L240-K245 HydrophobicContact CD1-CB 4.46Å; L240-I268 HydrophobicContact CD2-CD1 4.19Å; L240-I268 HydrophobicContact CD2-CG2 4.01Å; L240-T276 HydrophobicContact CD2-CG2 3.94Å; L240-I278 HydrophobicContact CD2-CD1 3.86Å; L240-I278 HydrophobicContact CD2-CG1 4.32Å; L240-F314 HydrophobicContact CD1-CD2 4.42Å; L240-F314 HydrophobicContact CD1-CE2 3.49Å; L240-F314 VanDerWaalsContact CD1-CE2 3.49Å; L240-F314 HydrophobicContact CD1-CZ 3.94Å | ||
| 241 | T | 93.1 | Very high | 92.7 | Very high | 65 Ų | 65 | 58.5 Ų | 58.5 | 40% | 0.399 | 30% | 0.303 | S | S | . | . | trans | -69.5 | 160.3 | 174.2 | 65.5 | 0 | 0 | 0 | 0 | 111.3 | Q239 Q243 R244 K245 | Q239-T241 PolarHBondContact O-N 3.28Å; Q239-T241 VanDerWaalsContact O-N 3.17Å; T241-Q243 VanDerWaalsContact C-N 3.25Å; T241-Q243 PolarHBondContact O-N 3.46Å; T241-R244 PolarHBondContact O-N 3.29Å; T241-R244 WeakPolarHBondContact OG1-CG 3.31Å; T241-R244 PolarHBondContact OG1-N 2.79Å; T241-K245 PolarHBondContact O-N 3.08Å | ||
| 242 | E | 93.6 | Very high | 92.7 | Very high | 119 Ų | 119 | 58.6 Ų | 58.6 | 56% | 0.556 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -55.8 | -40.4 | 177.5 | -169.2 | 68.7 | 174.3 | 0 | 0 | 112.2 | R244 K245 D246 | E242-R244 PolarHBondContact O-N 3.39Å; E242-K245 WeakPolarHBondContact O-CB 3.43Å; E242-K245 PolarHBondContact O-N 2.97Å; E242-K245 WeakPolarHBondContact OE1-CE 3.26Å; E242-K245 IonicContact OE1-NZ 3.7Å; E242-K245 PolarHBondContact OE1-NZ 2.78Å; E242-K245 VanDerWaalsContact OE2-CE 3.22Å; E242-K245 WeakPolarHBondContact OE2-CE 3.12Å; E242-K245 IonicContact OE2-NZ 2.62Å; E242-K245 PolarHBondContact OE2-NZ 2.81Å; E242-D246 PolarHBondContact O-N 3.35Å |
| 243 | Q | 93.8 | Very high | 92.7 | Very high | 157 Ų | 157 | 58.5 Ų | 58.5 | 73% | 0.734 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -61.9 | -41 | 174.9 | -66.8 | 177 | -21.7 | 0 | 0 | 113 | T241 D246 T247 | T241-Q243 VanDerWaalsContact C-N 3.25Å; T241-Q243 PolarHBondContact O-N 3.46Å; Q243-D246 PolarHBondContact O-N 2.86Å; Q243-T247 PolarHBondContact O-N 3.23Å; Q243-T247 VanDerWaalsContact O-N 3.08Å; Q243-T247 PolarHBondContact O-OG1 3.42Å |
| 244 | R | 93.8 | Very high | 92.6 | Very high | 110 Ų | 110 | 63.3 Ų | 63.3 | 42% | 0.415 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -70.8 | -37.1 | 178.1 | -72.7 | 174.9 | 169.9 | -167 | -4 | 111.2 | Q239 L240 T241 E242 T247 L248 L313 F314 | Q239-R244 VanDerWaalsContact O-CD 3.28Å; Q239-R244 WeakPolarHBondContact O-CD 3.49Å; Q239-R244 PolarHBondContact O-NH1 3.29Å; L240-R244 HydrophobicContact CD1-CB 4.34Å; T241-R244 PolarHBondContact O-N 3.29Å; T241-R244 WeakPolarHBondContact OG1-CG 3.31Å; T241-R244 PolarHBondContact OG1-N 2.79Å; E242-R244 PolarHBondContact O-N 3.39Å; R244-T247 PolarHBondContact O-N 3.02Å; R244-L248 WeakPolarHBondContact O-CB 3.43Å; R244-L248 PolarHBondContact O-N 3.32Å; R244-L313 HydrophobicContact CB-CD2 3.86Å; R244-L313 HydrophobicContact CG-CD2 3.97Å; R244-F314 HydrophobicContact CB-CE2 4.43Å; R244-F314 HydrophobicContact CB-CZ 4.07Å; R244-F314 HydrophobicContact CG-CZ 4.48Å |
| 245 | K | 93.8 | Very high | 92.4 | Very high | 35 Ų | 35 | 58.6 Ų | 58.6 | 15% | 0.152 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -58.4 | -49.3 | 171.8 | -175.8 | -160.4 | 72.8 | -177.8 | 0 | 110.7 | L240 T241 E242 T247 L248 V249 I268 | L240-K245 HydrophobicContact CD1-CB 4.46Å; T241-K245 PolarHBondContact O-N 3.08Å; E242-K245 WeakPolarHBondContact O-CB 3.43Å; E242-K245 PolarHBondContact O-N 2.97Å; E242-K245 WeakPolarHBondContact OE1-CE 3.26Å; E242-K245 IonicContact OE1-NZ 3.7Å; E242-K245 PolarHBondContact OE1-NZ 2.78Å; E242-K245 VanDerWaalsContact OE2-CE 3.22Å; E242-K245 WeakPolarHBondContact OE2-CE 3.12Å; E242-K245 IonicContact OE2-NZ 2.62Å; E242-K245 PolarHBondContact OE2-NZ 2.81Å; K245-T247 VanDerWaalsContact C-N 3.32Å; K245-T247 PolarHBondContact O-N 3.34Å; K245-L248 WeakPolarHBondContact O-CB 3.25Å; K245-L248 PolarHBondContact O-N 3.39Å; K245-V249 WeakPolarHBondContact O-CG2 3.23Å; K245-V249 PolarHBondContact O-N 2.99Å; K245-I268 HydrophobicContact CD-CD1 3.84Å; K245-I268 HydrophobicContact CG-CD1 4.27Å |
| 246 | D | 94 | Very high | 92.3 | Very high | 70 Ų | 70 | 59.7 Ų | 59.7 | 37% | 0.374 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -64.1 | -38.5 | -179.7 | -67.8 | -15.2 | 0 | 0 | 0 | 112.3 | E242 Q243 V249 R250 | E242-D246 PolarHBondContact O-N 3.35Å; Q243-D246 PolarHBondContact O-N 2.86Å; D246-V249 PolarHBondContact O-N 3.35Å; D246-R250 WeakPolarHBondContact O-CG 3.44Å; D246-R250 PolarHBondContact O-N 2.89Å |
| 247 | T | 94.2 | Very high | 92.1 | Very high | 60 Ų | 60 | 66.2 Ų | 66.2 | 37% | 0.368 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61.9 | -45.1 | 174.3 | -56.3 | 0 | 0 | 0 | 0 | 111.2 | Q243 R244 K245 R250 Q251 | Q243-T247 PolarHBondContact O-N 3.23Å; Q243-T247 VanDerWaalsContact O-N 3.08Å; Q243-T247 PolarHBondContact O-OG1 3.42Å; R244-T247 PolarHBondContact O-N 3.02Å; K245-T247 VanDerWaalsContact C-N 3.32Å; K245-T247 PolarHBondContact O-N 3.34Å; T247-R250 PolarHBondContact O-N 3.09Å; T247-Q251 WeakPolarHBondContact O-CG 3.34Å; T247-Q251 PolarHBondContact O-N 2.8Å |
| 248 | L | 93.6 | Very high | 92.2 | Very high | 1 Ų | 1 | 65.5 Ų | 65.5 | 1% | 0.005 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -62.5 | -43.5 | 175.9 | 177.4 | 126.5 | 0 | 0 | 0 | 111.8 | L233 R244 K245 R250 Q251 L252 I278 F314 | L233-L248 HydrophobicContact CD1-CD1 3.52Å; L233-L248 HydrophobicContact CD1-CD2 4.37Å; L233-L248 HydrophobicContact CD2-CD1 4.23Å; R244-L248 WeakPolarHBondContact O-CB 3.43Å; R244-L248 PolarHBondContact O-N 3.32Å; K245-L248 WeakPolarHBondContact O-CB 3.25Å; K245-L248 PolarHBondContact O-N 3.39Å; L248-R250 VanDerWaalsContact C-N 3.32Å; L248-R250 PolarHBondContact O-N 2.86Å; L248-Q251 PolarHBondContact O-N 2.8Å; L248-L252 HydrophobicContact CD2-CD1 3.62Å; L248-L252 HydrophobicContact CD2-CG 4.42Å; L248-L252 HydrophobicContact CG-CD1 4.14Å; L248-L252 HydrophobicContact CG-CG 4.42Å; L248-L252 WeakPolarHBondContact O-CB 3.29Å; L248-L252 VanDerWaalsContact O-CG 3.32Å; L248-L252 WeakPolarHBondContact O-CG 3.37Å; L248-L252 PolarHBondContact O-N 3.29Å; L248-I278 HydrophobicContact CD2-CD1 3.74Å; L248-F314 HydrophobicContact CD1-CD2 3.66Å; L248-F314 HydrophobicContact CD1-CE2 4.26Å |
| 249 | V | 94.6 | Very high | 92.2 | Very high | 16 Ų | 16 | 64.9 Ų | 64.9 | 10% | 0.097 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -60.4 | -42.1 | 176.7 | 171.3 | 0 | 0 | 0 | 0 | 111.1 | K245 D246 L252 A253 I263 V265 | K245-V249 WeakPolarHBondContact O-CG2 3.23Å; K245-V249 PolarHBondContact O-N 2.99Å; D246-V249 PolarHBondContact O-N 3.35Å; V249-L252 PolarHBondContact O-N 2.81Å; V249-A253 WeakPolarHBondContact O-CB 3.44Å; V249-A253 PolarHBondContact O-N 3.07Å; V249-I263 HydrophobicContact CG1-CB 4.01Å; V249-I263 HydrophobicContact CG1-CG2 4.07Å; V249-V265 HydrophobicContact CG2-CG2 3.88Å |
| 250 | R | 93.4 | Very high | 92.1 | Very high | 152 Ų | 152 | 62.9 Ų | 62.9 | 57% | 0.574 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -62.4 | -44.2 | 175 | -72.7 | 174.8 | -178.2 | 165 | 4.7 | 112.4 | D246 T247 L248 A253 V254 D260 | D246-R250 WeakPolarHBondContact O-CG 3.44Å; D246-R250 PolarHBondContact O-N 2.89Å; T247-R250 PolarHBondContact O-N 3.09Å; L248-R250 VanDerWaalsContact C-N 3.32Å; L248-R250 PolarHBondContact O-N 2.86Å; R250-A253 WeakPolarHBondContact O-CB 3.31Å; R250-A253 PolarHBondContact O-N 3.46Å; R250-V254 WeakPolarHBondContact O-CG2 3.47Å; R250-V254 PolarHBondContact O-N 2.8Å; R250-V254 VanDerWaalsContact O-N 3.08Å; R250-D260 HydrophobicContact CG-CB 4.17Å |
| 251 | Q | 92.1 | Very high | 92 | Very high | 43 Ų | 43 | 64.8 Ų | 64.8 | 20% | 0.201 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -64.2 | -41.7 | 176.7 | -68.7 | 173.7 | -34.3 | 0 | 0 | 111.6 | T247 L248 A253 V254 L255 F311 L312 | T247-Q251 WeakPolarHBondContact O-CG 3.34Å; T247-Q251 PolarHBondContact O-N 2.8Å; L248-Q251 PolarHBondContact O-N 2.8Å; Q251-A253 VanDerWaalsContact C-N 3.3Å; Q251-A253 PolarHBondContact O-N 2.84Å; Q251-V254 PolarHBondContact O-N 2.66Å; Q251-L255 PolarHBondContact O-N 3.05Å; Q251-F311 HydrophobicContact CB-CD1 4.38Å; Q251-F311 HydrophobicContact CB-CE1 3.9Å; Q251-F311 HydrophobicContact CG-CE1 4.35Å; Q251-F311 PolarHBondContact NE2-O 3.12Å; Q251-F311 VanDerWaalsContact NE2-O 3.09Å; Q251-F311 WeakPolarHBondContact O-CE1 3.24Å; Q251-L312 HydrophobicContact CB-CD2 3.67Å |
| 252 | L | 92.1 | Very high | 92 | Very high | 2 Ų | 2 | 63 Ų | 63 | 1% | 0.01 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.5 | -39 | 174.2 | -73 | 174 | 0 | 0 | 0 | 112.2 | L231 L248 V249 V254 L255 L256 I263 L300 L312 | L231-L252 HydrophobicContact CD2-CD1 3.92Å; L231-L252 HydrophobicContact CD2-CD2 4.08Å; L248-L252 HydrophobicContact CD2-CD1 3.62Å; L248-L252 HydrophobicContact CD2-CG 4.42Å; L248-L252 HydrophobicContact CG-CD1 4.14Å; L248-L252 HydrophobicContact CG-CG 4.42Å; L248-L252 WeakPolarHBondContact O-CB 3.29Å; L248-L252 VanDerWaalsContact O-CG 3.32Å; L248-L252 WeakPolarHBondContact O-CG 3.37Å; L248-L252 PolarHBondContact O-N 3.29Å; V249-L252 PolarHBondContact O-N 2.81Å; L252-V254 VanDerWaalsContact C-N 3.34Å; L252-L255 PolarHBondContact O-N 3.15Å; L252-L256 WeakPolarHBondContact O-CB 3.07Å; L252-L256 WeakPolarHBondContact O-CG 3.38Å; L252-L256 PolarHBondContact O-N 3.42Å; L252-I263 HydrophobicContact CB-CD1 3.87Å; L252-L300 HydrophobicContact CD2-CD1 4.01Å; L252-L312 HydrophobicContact CD2-CD1 4.15Å; L252-L312 HydrophobicContact CD2-CD2 3.94Å; L252-L312 HydrophobicContact CG-CD2 4.09Å |
| 253 | A | 92.2 | Very high | 91.9 | Very high | 4 Ų | 4 | 57.7 Ų | 57.7 | 3% | 0.033 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.9 | -42.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | V249 R250 Q251 L256 N257 V258 D260 I263 | V249-A253 WeakPolarHBondContact O-CB 3.44Å; V249-A253 PolarHBondContact O-N 3.07Å; R250-A253 WeakPolarHBondContact O-CB 3.31Å; R250-A253 PolarHBondContact O-N 3.46Å; Q251-A253 VanDerWaalsContact C-N 3.3Å; Q251-A253 PolarHBondContact O-N 2.84Å; A253-L256 PolarHBondContact O-N 3.15Å; A253-N257 WeakPolarHBondContact O-CA 2.9Å; A253-N257 PolarHBondContact O-N 2.84Å; A253-V258 CarbonylContact C-O 3.57Å; A253-V258 HydrophobicContact CB-CG2 4.34Å; A253-V258 WeakPolarHBondContact CB-O 3.19Å; A253-V258 PolarHBondContact O-N 2.91Å; A253-D260 HydrophobicContact CB-CB 4.2Å; A253-I263 HydrophobicContact CB-CD1 3.88Å |
| 254 | V | 90.9 | Very high | 91.8 | Very high | 100 Ų | 100 | 54.4 Ų | 54.4 | 61% | 0.606 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -62.2 | -46.5 | 174.3 | 175.7 | 0 | 0 | 0 | 0 | 111.4 | R250 Q251 L252 L256 N257 F311 | R250-V254 WeakPolarHBondContact O-CG2 3.47Å; R250-V254 PolarHBondContact O-N 2.8Å; R250-V254 VanDerWaalsContact O-N 3.08Å; Q251-V254 PolarHBondContact O-N 2.66Å; L252-V254 VanDerWaalsContact C-N 3.34Å; V254-L256 VanDerWaalsContact C-N 3.32Å; V254-L256 PolarHBondContact O-N 2.93Å; V254-N257 PolarHBondContact O-N 2.91Å; V254-N257 VanDerWaalsContact O-N 3.15Å; V254-F311 HydrophobicContact CB-CE1 4.43Å; V254-F311 HydrophobicContact CB-CZ 4.17Å; V254-F311 HydrophobicContact CG1-CE1 4.45Å; V254-F311 HydrophobicContact CG1-CZ 3.83Å |
| 255 | L | 89.4 | Confident | 91.8 | Very high | 5 Ų | 5 | 51.4 Ų | 51.4 | 3% | 0.026 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.9 | -39.9 | 178.9 | -76.1 | 172.5 | 0 | 0 | 0 | 113 | Q251 L252 N257 R303 L304 E307 F311 L312 | Q251-L255 PolarHBondContact O-N 3.05Å; L252-L255 PolarHBondContact O-N 3.15Å; L255-N257 VanDerWaalsContact C-N 3.31Å; L255-R303 HydrophobicContact CD2-CB 4.27Å; L255-L304 HydrophobicContact CD1-CD2 3.81Å; L255-E307 WeakPolarHBondContact CD2-OE2 3.48Å; L255-F311 HydrophobicContact CD1-CD1 3.88Å; L255-F311 HydrophobicContact CD1-CE1 4.31Å; L255-F311 HydrophobicContact CD2-CD1 3.78Å; L255-F311 HydrophobicContact CD2-CE1 4.1Å; L255-F311 HydrophobicContact CD2-CG 4.37Å; L255-F311 HydrophobicContact CG-CD1 3.68Å; L255-F311 HydrophobicContact CG-CE1 3.74Å; L255-L312 HydrophobicContact CD1-CD1 4.09Å; L255-L312 HydrophobicContact CD1-CD2 3.88Å; L255-L312 HydrophobicContact CD1-CG 3.9Å |
| 256 | L | 89.6 | Confident | 91.7 | Very high | 27 Ų | 27 | 52.2 Ų | 52.2 | 14% | 0.141 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -85.1 | -5.5 | 179.9 | -69.8 | 176 | 0 | 0 | 0 | 113.1 | L252 A253 V254 V258 I263 F280 V282 V296 N299 L300 | L252-L256 WeakPolarHBondContact O-CB 3.07Å; L252-L256 WeakPolarHBondContact O-CG 3.38Å; L252-L256 PolarHBondContact O-N 3.42Å; A253-L256 PolarHBondContact O-N 3.15Å; V254-L256 VanDerWaalsContact C-N 3.32Å; V254-L256 PolarHBondContact O-N 2.93Å; L256-V258 VanDerWaalsContact C-N 3.28Å; L256-V258 HydrophobicContact CB-CG1 4.4Å; L256-V258 HydrophobicContact CB-CG2 3.86Å; L256-V258 PolarHBondContact O-N 2.84Å; L256-I263 HydrophobicContact CD1-CD1 4.24Å; L256-F280 HydrophobicContact CD1-CE2 4.48Å; L256-V282 HydrophobicContact CD1-CG2 4.09Å; L256-V296 HydrophobicContact CD1-CG1 3.88Å; L256-V296 HydrophobicContact CD2-CG1 4.12Å; L256-N299 HydrophobicContact CD2-CB 4.28Å; L256-L300 HydrophobicContact CD1-CD1 4.08Å; L256-L300 HydrophobicContact CD2-CB 4.22Å; L256-L300 HydrophobicContact CD2-CD1 4.04Å; L256-L300 HydrophobicContact CD2-CG 4.44Å; L256-L300 HydrophobicContact CG-CD1 4.16Å |
| 257 | N | 89.9 | Confident | 91.5 | Very high | 146 Ų | 146 | 53.9 Ų | 53.9 | 78% | 0.781 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.4 | 44.4 | -173.7 | -168.4 | 50 | 0 | 0 | 0 | 112.8 | A253 V254 L255 | A253-N257 WeakPolarHBondContact O-CA 2.9Å; A253-N257 PolarHBondContact O-N 2.84Å; V254-N257 PolarHBondContact O-N 2.91Å; V254-N257 VanDerWaalsContact O-N 3.15Å; L255-N257 VanDerWaalsContact C-N 3.31Å |
| 258 | V | 90.6 | Very high | 91.5 | Very high | 41 Ų | 41 | 54 Ų | 54 | 25% | 0.248 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -123 | 168.3 | 176.1 | -62.3 | 0 | 0 | 0 | 0 | 109.9 | A253 L256 D262 I263 V282 | A253-V258 CarbonylContact C-O 3.57Å; A253-V258 HydrophobicContact CB-CG2 4.34Å; A253-V258 WeakPolarHBondContact CB-O 3.19Å; A253-V258 PolarHBondContact O-N 2.91Å; L256-V258 VanDerWaalsContact C-N 3.28Å; L256-V258 HydrophobicContact CB-CG1 4.4Å; L256-V258 HydrophobicContact CB-CG2 3.86Å; L256-V258 PolarHBondContact O-N 2.84Å; V258-D262 HydrophobicContact CB-CB 4.4Å; V258-I263 HydrophobicContact CG2-CD1 3.98Å; V258-I263 HydrophobicContact CG2-CG1 3.89Å; V258-V282 HydrophobicContact CB-CG1 4.47Å; V258-V282 HydrophobicContact CG1-CG1 4.15Å; V258-V282 HydrophobicContact CG2-CG1 4.26Å |
| 259 | L | 89.6 | Confident | 91.4 | Very high | 70 Ų | 70 | 58.6 Ų | 58.6 | 37% | 0.366 | 29% | 0.293 | S | S | . | . | trans | -72.7 | 151.4 | 171.9 | -63.4 | 178.6 | 0 | 0 | 0 | 110.5 | S261 D262 R285 | L259-S261 PolarHBondContact O-N 3.15Å; L259-D262 HydrophobicContact CB-CB 4.47Å; L259-D262 WeakPolarHBondContact CB-OD2 3.34Å; L259-D262 PolarHBondContact N-OD2 2.92Å; L259-D262 WeakPolarHBondContact O-CB 3.48Å; L259-D262 PolarHBondContact O-N 3.31Å; L259-D262 VanDerWaalsContact O-N 3.08Å; L259-R285 VanDerWaalsContact CD1-NH2 3.27Å | ||
| 260 | D | 88.9 | Confident | 91.2 | Very high | 76 Ų | 76 | 61.1 Ų | 61.1 | 41% | 0.406 | 32% | 0.316 | S | S | . | . | G | 310 helix | trans | -57.7 | -37.5 | 170.8 | 60.3 | -17.7 | 0 | 0 | 0 | 112 | R250 A253 D262 I263 | R250-D260 HydrophobicContact CG-CB 4.17Å; A253-D260 HydrophobicContact CB-CB 4.2Å; D260-D262 PolarHBondContact O-N 3.14Å; D260-I263 PolarHBondContact O-N 2.88Å |
| 261 | S | 89.6 | Confident | 91 | Very high | 61 Ų | 61 | 59.3 Ų | 59.3 | 43% | 0.427 | 31% | 0.314 | S | S | . | . | G | 310 helix | trans | -64.6 | -22.3 | 175.6 | 63.3 | 0 | 0 | 0 | 0 | 114.8 | L259 K264 | L259-S261 PolarHBondContact O-N 3.15Å; S261-K264 WeakPolarHBondContact O-CE 3.25Å; S261-K264 PolarHBondContact O-NZ 2.92Å |
| 262 | D | 91.6 | Very high | 90.9 | Very high | 27 Ų | 27 | 60.1 Ų | 60.1 | 14% | 0.144 | 32% | 0.324 | C | S | . | . | G | 310 helix | trans | -79.9 | -21.3 | -179.6 | -66.8 | -21.9 | 0 | 0 | 0 | 111.9 | V258 L259 D260 V282 Q283 | V258-D262 HydrophobicContact CB-CB 4.4Å; L259-D262 HydrophobicContact CB-CB 4.47Å; L259-D262 WeakPolarHBondContact CB-OD2 3.34Å; L259-D262 PolarHBondContact N-OD2 2.92Å; L259-D262 WeakPolarHBondContact O-CB 3.48Å; L259-D262 PolarHBondContact O-N 3.31Å; L259-D262 VanDerWaalsContact O-N 3.08Å; D260-D262 PolarHBondContact O-N 3.14Å; D262-V282 HydrophobicContact CB-CG1 4.43Å; D262-V282 WeakPolarHBondContact O-CA 3.47Å; D262-Q283 WeakPolarHBondContact CB-O 3.25Å; D262-Q283 PolarHBondContact O-N 2.64Å |
| 263 | I | 92.6 | Very high | 90.5 | Very high | 8 Ų | 8 | 67.5 Ų | 67.5 | 4% | 0.041 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 116.1 | 176.7 | -59.4 | -174.7 | 0 | 0 | 0 | 109.2 | V249 L252 A253 L256 V258 D260 F280 V282 | V249-I263 HydrophobicContact CG1-CB 4.01Å; V249-I263 HydrophobicContact CG1-CG2 4.07Å; L252-I263 HydrophobicContact CB-CD1 3.87Å; A253-I263 HydrophobicContact CB-CD1 3.88Å; L256-I263 HydrophobicContact CD1-CD1 4.24Å; V258-I263 HydrophobicContact CG2-CD1 3.98Å; V258-I263 HydrophobicContact CG2-CG1 3.89Å; D260-I263 PolarHBondContact O-N 2.88Å; I263-F280 HydrophobicContact CG2-CB 4.44Å; I263-F280 HydrophobicContact CG2-CD2 3.83Å; I263-F280 HydrophobicContact CG2-CE2 4.48Å; I263-F280 HydrophobicContact CG2-CG 4.37Å; I263-V282 HydrophobicContact CG1-CG2 4.34Å |
| 264 | K | 92.1 | Very high | 90.4 | Very high | 89 Ų | 89 | 73.4 Ų | 73.4 | 39% | 0.387 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 115.1 | 177.4 | -61.8 | -53.7 | -171.9 | -158 | 0 | 110.3 | S261 F280 Y281 | S261-K264 WeakPolarHBondContact O-CE 3.25Å; S261-K264 PolarHBondContact O-NZ 2.92Å; K264-F280 VanDerWaalsContact O-CA 3.24Å; K264-F280 WeakPolarHBondContact O-CA 3.21Å; K264-F280 WeakPolarHBondContact O-CB 3.38Å; K264-Y281 HydrophobicContact CB-CD1 4.17Å; K264-Y281 HydrophobicContact CB-CD2 4.39Å; K264-Y281 HydrophobicContact CB-CE1 3.6Å; K264-Y281 HydrophobicContact CB-CE2 3.87Å; K264-Y281 VanDerWaalsContact CB-CZ 3.43Å; K264-Y281 HydrophobicContact CG-CE2 4.05Å; K264-Y281 PolarHBondContact N-O 3.16Å; K264-Y281 PolarHBondContact O-N 2.83Å |
| 265 | V | 93.2 | Very high | 90.6 | Very high | 47 Ų | 47 | 69 Ų | 69 | 29% | 0.285 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 124.3 | 171.8 | -179.1 | 0 | 0 | 0 | 0 | 108.8 | V249 I268 I278 F280 | V249-V265 HydrophobicContact CG2-CG2 3.88Å; V265-I268 HydrophobicContact CG1-CD1 4.24Å; V265-I268 HydrophobicContact CG1-CG1 3.88Å; V265-I278 HydrophobicContact CG1-CG2 3.75Å; V265-I278 HydrophobicContact CG2-CG2 4.19Å; V265-F280 HydrophobicContact CG2-CB 4.36Å |
| 266 | Q | 91.1 | Very high | 90.8 | Very high | 51 Ų | 51 | 68.7 Ų | 68.7 | 24% | 0.238 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | -42.6 | -178.5 | -172.3 | -174.9 | 36.8 | 0 | 0 | 112 | P143 D222 L228 V279 | P143-Q266 HydrophobicContact CB-CG 4.23Å; P143-Q266 HydrophobicContact CG-CG 4.12Å; D222-Q266 PolarHBondContact OD2-NE2 3.13Å; L228-Q266 HydrophobicContact CD2-CB 4.44Å; Q266-V279 PolarHBondContact N-O 3.03Å |
| 267 | K | 90.4 | Very high | 91 | Very high | 105 Ų | 105 | 67.5 Ų | 67.5 | 46% | 0.457 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 142.1 | -176.6 | -174.6 | 171.1 | -178.4 | 170 | 0 | 110.8 | V279 | K267-V279 HydrophobicContact CB-CB 4.26Å; K267-V279 HydrophobicContact CB-CG2 4.32Å; K267-V279 PolarHBondContact N-O 3.03Å; K267-V279 PolarHBondContact O-N 2.96Å |
| 268 | I | 92.8 | Very high | 91.2 | Very high | 64 Ų | 64 | 60.6 Ų | 60.6 | 33% | 0.328 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 129.4 | 169.1 | -58.3 | 175.9 | 0 | 0 | 0 | 106.6 | L240 K245 V265 T276 V277 I278 | L240-I268 HydrophobicContact CD2-CD1 4.19Å; L240-I268 HydrophobicContact CD2-CG2 4.01Å; K245-I268 HydrophobicContact CD-CD1 3.84Å; K245-I268 HydrophobicContact CG-CD1 4.27Å; V265-I268 HydrophobicContact CG1-CD1 4.24Å; V265-I268 HydrophobicContact CG1-CG1 3.88Å; I268-T276 HydrophobicContact CG2-CG2 3.53Å; I268-V277 WeakPolarHBondContact CA-O 3.44Å; I268-I278 HydrophobicContact CG1-CG1 4.4Å; I268-I278 HydrophobicContact CG1-CG2 4.49Å |
| 269 | R | 91.8 | Very high | 91.4 | Very high | 96 Ų | 96 | 59 Ų | 59 | 36% | 0.362 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 149.1 | 179.3 | 64.5 | -179.1 | 176.3 | -165.5 | -7.1 | 111.2 | E230 V277 | E230-R269 IonicContact OE1-CZ 3.95Å; E230-R269 IonicContact OE1-NH2 3.11Å; E230-R269 PolarHBondContact OE1-NH2 2.68Å; E230-R269 IonicContact OE2-NH2 3.2Å; E230-R269 PolarHBondContact OE2-NH2 3.12Å; R269-V277 HydrophobicContact CG-CB 3.87Å; R269-V277 HydrophobicContact CG-CG1 4.22Å; R269-V277 PolarHBondContact N-O 3.04Å; R269-V277 PolarHBondContact O-N 2.9Å |
| 270 | A | 91.6 | Very high | 91.6 | Very high | 70 Ų | 70 | 55.8 Ų | 55.8 | 58% | 0.579 | 30% | 0.296 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68 | 136.2 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | V237 | V237-A270 HydrophobicContact CG2-CB 3.52Å |
| 271 | H | 88.7 | Confident | 91.8 | Very high | 113 Ų | 113 | 53.3 Ų | 53.3 | 52% | 0.523 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | -36.2 | 169.2 | -178 | 68.1 | 0 | 0 | 0 | 111.2 | S275 V277 | H271-S275 WeakPolarHBondContact CB-OG 3.38Å; H271-S275 PolarHBondContact CD2-OG 3Å; H271-S275 PolarHBondContact N-O 3.19Å; H271-V277 HydrophobicContact CB-CG2 3.66Å |
| 272 | S | 89.3 | Confident | 91.9 | Very high | 60 Ų | 60 | 50.5 Ų | 50.5 | 42% | 0.42 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 178.8 | 165.7 | 69.1 | 0 | 0 | 0 | 0 | 109.3 | L274 S275 | S272-L274 PolarHBondContact O-N 2.77Å; S272-S275 WeakPolarHBondContact CB-OG 3.37Å; S272-S275 PolarHBondContact N-O 3.2Å; S272-S275 PolarHBondContact N-OG 3.41Å; S272-S275 VanDerWaalsContact N-OG 3.12Å; S272-S275 PolarHBondContact O-N 2.96Å; S272-S275 VanDerWaalsContact O-N 3.16Å; S272-S275 WeakPolarHBondContact OG-CB 3.36Å; S272-S275 PolarHBondContact OG-N 3.48Å; S272-S275 PolarHBondContact OG-OG 2.96Å |
| 273 | D | 85.3 | Confident | 91.8 | Very high | 158 Ų | 158 | 51.5 Ų | 51.5 | 85% | 0.845 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -25.6 | 178.8 | -55.1 | -32.9 | 0 | 0 | 0 | 113.2 | G236 | G236-D273 WeakPolarHBondContact CA-O 3.45Š|
| 274 | L | 90.1 | Very high | 91.4 | Very high | 128 Ų | 128 | 52.9 Ų | 52.9 | 67% | 0.67 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117 | 5.5 | -177.2 | -59.4 | 175.2 | 0 | 0 | 0 | 113.2 | Q234 V235 S272 | Q234-L274 CarbonylContact C-O 3.55Å; V235-L274 CarbonylContact C-O 3.55Å; V235-L274 VanDerWaalsContact C-O 3.28Å; V235-L274 PolarHBondContact N-O 2.57Å; V235-L274 CarbonylContact O-C 3.59Å; S272-L274 PolarHBondContact O-N 2.77Å |
| 275 | S | 93.4 | Very high | 90.6 | Very high | 6 Ų | 6 | 56.4 Ų | 56.4 | 4% | 0.042 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 138.9 | -179.4 | 71 | 0 | 0 | 0 | 0 | 113.6 | L233 V235 H271 S272 | L233-S275 VanDerWaalsContact O-CA 3.24Å; L233-S275 WeakPolarHBondContact O-CA 3.23Å; L233-S275 WeakPolarHBondContact O-CB 3.28Å; V235-S275 CarbonylContact O-C 3.56Å; V235-S275 VanDerWaalsContact O-C 3.23Å; V235-S275 VanDerWaalsContact O-CA 3.3Å; V235-S275 WeakPolarHBondContact O-CA 3.25Å; H271-S275 WeakPolarHBondContact CB-OG 3.38Å; H271-S275 PolarHBondContact CD2-OG 3Å; H271-S275 PolarHBondContact N-O 3.19Å; S272-S275 WeakPolarHBondContact CB-OG 3.37Å; S272-S275 PolarHBondContact N-O 3.2Å; S272-S275 PolarHBondContact N-OG 3.41Å; S272-S275 VanDerWaalsContact N-OG 3.12Å; S272-S275 PolarHBondContact O-N 2.96Å; S272-S275 VanDerWaalsContact O-N 3.16Å; S272-S275 WeakPolarHBondContact OG-CB 3.36Å; S272-S275 PolarHBondContact OG-N 3.48Å; S272-S275 PolarHBondContact OG-OG 2.96Å |
| 276 | T | 94.8 | Very high | 89.7 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 135.8 | -177.2 | -61.6 | 0 | 0 | 0 | 0 | 109.2 | T232 L233 V235 V237 L240 I268 I278 | T232-T276 WeakPolarHBondContact CA-O 3.47Å; L233-T276 PolarHBondContact N-O 2.83Å; L233-T276 PolarHBondContact O-N 3.08Å; V235-T276 WeakPolarHBondContact O-CB 3.21Å; V235-T276 PolarHBondContact O-N 3.41Å; V235-T276 PolarHBondContact O-OG1 2.77Å; V237-T276 WeakPolarHBondContact CA-OG1 3.12Å; V237-T276 HydrophobicContact CG2-CG2 3.94Å; V237-T276 VanDerWaalsContact CG2-OG1 3.29Å; V237-T276 WeakPolarHBondContact CG2-OG1 3.42Å; V237-T276 PolarHBondContact N-OG1 2.84Å; V237-T276 VanDerWaalsContact N-OG1 3.16Å; L240-T276 HydrophobicContact CD2-CG2 3.94Å; I268-T276 HydrophobicContact CG2-CG2 3.53Å; T276-I278 HydrophobicContact CG2-CG1 4.29Å |
| 277 | V | 93.8 | Very high | 88.8 | Confident | 2 Ų | 2 | 61.9 Ų | 61.9 | 1% | 0.012 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 123.7 | 172.3 | 169.7 | 0 | 0 | 0 | 0 | 108.9 | E230 L231 T232 I268 R269 H271 V279 | E230-V277 HydrophobicContact CB-CG1 4.21Å; E230-V277 HydrophobicContact CG-CG1 4.49Å; L231-V277 WeakPolarHBondContact O-CA 3.5Å; T232-V277 HydrophobicContact CG2-CG2 4.03Å; I268-V277 WeakPolarHBondContact CA-O 3.44Å; R269-V277 HydrophobicContact CG-CB 3.87Å; R269-V277 HydrophobicContact CG-CG1 4.22Å; R269-V277 PolarHBondContact N-O 3.04Å; R269-V277 PolarHBondContact O-N 2.9Å; H271-V277 HydrophobicContact CB-CG2 3.66Å; V277-V279 HydrophobicContact CG1-CG2 4.2Å |
| 278 | I | 94.5 | Very high | 88 | Confident | 1 Ų | 1 | 63.9 Ų | 63.9 | 1% | 0.005 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 124 | 173.2 | -56.8 | -176.3 | 0 | 0 | 0 | 107.8 | L231 L233 L240 L248 V265 I268 T276 | L231-I278 PolarHBondContact N-O 2.87Å; L231-I278 PolarHBondContact O-N 2.89Å; L233-I278 HydrophobicContact CD1-CD1 3.51Å; L233-I278 HydrophobicContact CD1-CG1 4.16Å; L240-I278 HydrophobicContact CD2-CD1 3.86Å; L240-I278 HydrophobicContact CD2-CG1 4.32Å; L248-I278 HydrophobicContact CD2-CD1 3.74Å; V265-I278 HydrophobicContact CG1-CG2 3.75Å; V265-I278 HydrophobicContact CG2-CG2 4.19Å; I268-I278 HydrophobicContact CG1-CG1 4.4Å; I268-I278 HydrophobicContact CG1-CG2 4.49Å; T276-I278 HydrophobicContact CG2-CG1 4.29Å |
| 279 | V | 93.6 | Very high | 87.6 | Confident | 8 Ų | 8 | 68.2 Ų | 68.2 | 5% | 0.048 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 121.1 | 174.8 | -168.6 | 0 | 0 | 0 | 0 | 108.4 | L228 V229 E230 Q266 K267 V277 A322 | L228-V279 HydrophobicContact CB-CG1 4.06Å; L228-V279 HydrophobicContact CD1-CG1 4.34Å; L228-V279 HydrophobicContact CD2-CG1 4.2Å; L228-V279 HydrophobicContact CG-CG1 4.43Å; V229-V279 WeakPolarHBondContact O-CA 3.46Å; E230-V279 HydrophobicContact CG-CG1 4.43Å; E230-V279 HydrophobicContact CG-CG2 4.09Å; Q266-V279 PolarHBondContact N-O 3.03Å; K267-V279 HydrophobicContact CB-CB 4.26Å; K267-V279 HydrophobicContact CB-CG2 4.32Å; K267-V279 PolarHBondContact N-O 3.03Å; K267-V279 PolarHBondContact O-N 2.96Å; V277-V279 HydrophobicContact CG1-CG2 4.2Å; V279-A322 HydrophobicContact CG1-CB 4.34Å |
| 280 | F | 94.3 | Very high | 87.2 | Confident | 1 Ų | 1 | 65.7 Ų | 65.7 | 0% | 0.004 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 163.4 | -178.2 | 71.6 | -84.6 | 0 | 0 | 0 | 111.8 | V229 L231 L256 I263 K264 V265 V282 V296 L300 | V229-F280 HydrophobicContact CB-CD1 4.47Å; V229-F280 HydrophobicContact CB-CE1 4.04Å; V229-F280 HydrophobicContact CB-CE2 4.38Å; V229-F280 HydrophobicContact CB-CZ 4Å; V229-F280 HydrophobicContact CG1-CE1 3.91Å; V229-F280 HydrophobicContact CG1-CZ 3.89Å; V229-F280 PolarHBondContact N-O 2.97Å; V229-F280 PolarHBondContact O-N 2.78Å; L231-F280 HydrophobicContact CB-CE1 3.97Å; L231-F280 HydrophobicContact CD2-CE1 4.46Å; L256-F280 HydrophobicContact CD1-CE2 4.48Å; I263-F280 HydrophobicContact CG2-CB 4.44Å; I263-F280 HydrophobicContact CG2-CD2 3.83Å; I263-F280 HydrophobicContact CG2-CE2 4.48Å; I263-F280 HydrophobicContact CG2-CG 4.37Å; K264-F280 VanDerWaalsContact O-CA 3.24Å; K264-F280 WeakPolarHBondContact O-CA 3.21Å; K264-F280 WeakPolarHBondContact O-CB 3.38Å; V265-F280 HydrophobicContact CG2-CB 4.36Å; F280-V282 HydrophobicContact CD2-CG2 4.32Å; F280-V282 HydrophobicContact CE2-CG2 4.09Å; F280-V296 HydrophobicContact CE2-CG1 4.34Å; F280-L300 HydrophobicContact CZ-CD1 4.1Å |
| 281 | Y | 92.9 | Very high | 87 | Confident | 25 Ų | 25 | 65.3 Ų | 65.3 | 10% | 0.098 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 161.9 | 168.4 | 61.5 | -81.8 | 0 | 0 | 0 | 110.3 | R224 G227 L228 K264 Q283 V290 | R224-Y281 PolarHBondContact NH1-OH 2.98Å; G227-Y281 WeakPolarHBondContact O-CB 3.22Å; L228-Y281 HydrophobicContact CD2-CD1 3.88Å; L228-Y281 HydrophobicContact CD2-CG 4.43Å; K264-Y281 HydrophobicContact CB-CD1 4.17Å; K264-Y281 HydrophobicContact CB-CD2 4.39Å; K264-Y281 HydrophobicContact CB-CE1 3.6Å; K264-Y281 HydrophobicContact CB-CE2 3.87Å; K264-Y281 VanDerWaalsContact CB-CZ 3.43Å; K264-Y281 HydrophobicContact CG-CE2 4.05Å; K264-Y281 PolarHBondContact N-O 3.16Å; K264-Y281 PolarHBondContact O-N 2.83Å; Y281-Q283 HydrophobicContact CD2-CB 4.41Å; Y281-Q283 HydrophobicContact CE2-CB 4.26Å; Y281-V290 HydrophobicContact CD2-CG1 4.14Å; Y281-V290 HydrophobicContact CD2-CG2 4.21Å; Y281-V290 HydrophobicContact CG-CG1 4.49Å |
| 282 | V | 92.1 | Very high | 87 | Confident | 2 Ų | 2 | 67.6 Ų | 67.6 | 1% | 0.012 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 124.4 | 177.6 | -171.8 | 0 | 0 | 0 | 0 | 108.6 | L256 V258 D262 I263 F280 L291 V296 | L256-V282 HydrophobicContact CD1-CG2 4.09Å; V258-V282 HydrophobicContact CB-CG1 4.47Å; V258-V282 HydrophobicContact CG1-CG1 4.15Å; V258-V282 HydrophobicContact CG2-CG1 4.26Å; D262-V282 HydrophobicContact CB-CG1 4.43Å; D262-V282 WeakPolarHBondContact O-CA 3.47Å; I263-V282 HydrophobicContact CG1-CG2 4.34Å; F280-V282 HydrophobicContact CD2-CG2 4.32Å; F280-V282 HydrophobicContact CE2-CG2 4.09Å; V282-L291 HydrophobicContact CB-CD1 4.02Å; V282-L291 HydrophobicContact CG1-CD1 3.73Å; V282-L291 PolarHBondContact O-N 3.05Å; V282-V296 HydrophobicContact CB-CG2 4.4Å; V282-V296 HydrophobicContact CG2-CG1 3.98Å; V282-V296 HydrophobicContact CG2-CG2 4.19Å |
| 283 | Q | 90.3 | Very high | 87 | Confident | 48 Ų | 48 | 64.7 Ų | 64.7 | 22% | 0.224 | 33% | 0.325 | C | S | . | . | B | Isolated β-bridge | trans | -109.9 | 124.7 | 179.9 | -179 | 173 | -18.8 | 0 | 0 | 109.2 | D262 Y281 F288 | D262-Q283 WeakPolarHBondContact CB-O 3.25Å; D262-Q283 PolarHBondContact O-N 2.64Å; Y281-Q283 HydrophobicContact CD2-CB 4.41Å; Y281-Q283 HydrophobicContact CE2-CB 4.26Å; Q283-F288 HydrophobicContact CG-CB 4.34Å; Q283-F288 HydrophobicContact CG-CD1 4.16Å; Q283-F288 VanDerWaalsContact NE2-CB 3.3Å; Q283-F288 VanDerWaalsContact NE2-CG 3.31Å |
| 284 | S | 82.5 | Confident | 87 | Confident | 36 Ų | 36 | 59.3 Ų | 59.3 | 25% | 0.252 | 30% | 0.302 | S | S | . | . | P | Polyproline II helix | trans | -72.6 | 155.5 | 176.5 | 53.2 | 0 | 0 | 0 | 0 | 112 | K289 | S284-K289 PolarHBondContact N-O 3.16Å; S284-K289 PolarHBondContact OG-N 2.7Å; S284-K289 PolarHBondContact OG-O 3.25Å |
| 285 | R | 75.9 | Confident | 86.8 | Confident | 163 Ų | 163 | 58.1 Ų | 58.1 | 62% | 0.615 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -54.4 | 160.5 | 167.1 | -76.2 | -167.2 | -156.8 | 171.3 | 9.9 | 111.3 | L259 P287 | L259-R285 VanDerWaalsContact CD1-NH2 3.27Å; R285-P287 CarbonylContact O-C 3.46Å |
| 286 | P | 75.3 | Confident | 86.7 | Confident | 98 Ų | 98 | 58.2 Ų | 58.2 | 64% | 0.636 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -48.2 | 131.7 | -171.9 | -28.8 | 34.8 | 0 | 0 | 0 | 113.6 | F288 | P286-F288 HydrophobicContact CG-CE1 4.19Å; P286-F288 HydrophobicContact CG-CE2 4.29Å; P286-F288 HydrophobicContact CG-CZ 3.98Å |
| 287 | P | 71.1 | Confident | 86.4 | Confident | 115 Ų | 115 | 58.5 Ų | 58.5 | 75% | 0.747 | 30% | 0.296 | S | S | * | . | S | Bend | cis | -76.3 | 128.3 | 3.4 | 30.8 | -32.7 | 0 | 0 | 0 | 111.7 | R285 K289 | R285-P287 CarbonylContact O-C 3.46Å; P287-K289 VanDerWaalsContact C-N 3.32Å; P287-K289 PolarHBondContact O-N 2.81Å |
| 288 | F | 74.4 | Confident | 86 | Confident | 148 Ų | 148 | 64 Ų | 64 | 65% | 0.649 | 32% | 0.316 | S | S | * | . | trans | -55.4 | 85.9 | -176.5 | -68.4 | -60.2 | 0 | 0 | 0 | 112.9 | Q283 P286 | Q283-F288 HydrophobicContact CG-CB 4.34Å; Q283-F288 HydrophobicContact CG-CD1 4.16Å; Q283-F288 VanDerWaalsContact NE2-CB 3.3Å; Q283-F288 VanDerWaalsContact NE2-CG 3.31Å; P286-F288 HydrophobicContact CG-CE1 4.19Å; P286-F288 HydrophobicContact CG-CE2 4.29Å; P286-F288 HydrophobicContact CG-CZ 3.98Å | ||
| 289 | K | 83.5 | Confident | 85.6 | Confident | 154 Ų | 154 | 66.9 Ų | 66.9 | 67% | 0.67 | 33% | 0.332 | S | S | * | . | trans | -110.6 | 126.5 | 179.7 | -170.9 | 176.8 | -179.2 | 179.4 | 0 | 109.1 | S284 P287 L291 | S284-K289 PolarHBondContact N-O 3.16Å; S284-K289 PolarHBondContact OG-N 2.7Å; S284-K289 PolarHBondContact OG-O 3.25Å; P287-K289 VanDerWaalsContact C-N 3.32Å; P287-K289 PolarHBondContact O-N 2.81Å; K289-L291 PolarHBondContact O-N 3.01Å | ||
| 290 | V | 84.6 | Confident | 85.4 | Confident | 44 Ų | 44 | 66.5 Ų | 66.5 | 27% | 0.267 | 33% | 0.329 | S | S | . | . | B | Isolated β-bridge | trans | -70.2 | 126.6 | 172.9 | -177.1 | 0 | 0 | 0 | 0 | 108.4 | R224 Y281 | R224-V290 HydrophobicContact CG-CG2 4.45Å; Y281-V290 HydrophobicContact CD2-CG1 4.14Å; Y281-V290 HydrophobicContact CD2-CG2 4.21Å; Y281-V290 HydrophobicContact CG-CG1 4.49Å |
| 291 | L | 87.4 | Confident | 85 | Confident | 62 Ų | 62 | 70.9 Ų | 70.9 | 33% | 0.325 | 35% | 0.35 | S | S | . | . | P | Polyproline II helix | trans | -67.6 | 150.2 | 176.1 | -64.6 | 179 | 0 | 0 | 0 | 110.2 | V282 K289 A293 V296 | V282-L291 HydrophobicContact CB-CD1 4.02Å; V282-L291 HydrophobicContact CG1-CD1 3.73Å; V282-L291 PolarHBondContact O-N 3.05Å; K289-L291 PolarHBondContact O-N 3.01Å; L291-A293 PolarHBondContact O-N 3.42Å; L291-V296 HydrophobicContact CB-CG2 3.85Å; L291-V296 HydrophobicContact CD1-CG2 4.32Å |
| 292 | K | 88.6 | Confident | 84.5 | Confident | 160 Ų | 160 | 73.5 Ų | 73.5 | 70% | 0.696 | 36% | 0.364 | S | S | * | . | P | Polyproline II helix | trans | -66.7 | 128.8 | 177.1 | -69.9 | -178.1 | 179 | 176.8 | 0 | 109.2 | A294 E295 V296 | K292-A294 PolarHBondContact O-N 2.64Å; K292-E295 PolarHBondContact O-N 3.06Å; K292-V296 PolarHBondContact O-N 3.09Å |
| 293 | A | 88.5 | Confident | 84.2 | Confident | 0 Ų | 0 | 79 Ų | 79 | 0% | 0 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -56 | -38.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | S226 L228 V229 L291 E295 V296 A297 T321 L325 | S226-A293 VanDerWaalsContact O-CB 3.26Å; S226-A293 WeakPolarHBondContact O-CB 3.3Å; S226-A293 PolarHBondContact O-N 2.83Å; L228-A293 VanDerWaalsContact O-CB 3.28Å; L228-A293 WeakPolarHBondContact O-CB 3.46Å; V229-A293 HydrophobicContact CG2-CB 3.87Å; L291-A293 PolarHBondContact O-N 3.42Å; A293-E295 VanDerWaalsContact C-N 3.33Å; A293-E295 PolarHBondContact O-N 2.89Å; A293-V296 PolarHBondContact O-N 2.88Å; A293-A297 VanDerWaalsContact O-CB 3.3Å; A293-A297 WeakPolarHBondContact O-CB 3.42Å; A293-A297 PolarHBondContact O-N 3.03Å; A293-T321 HydrophobicContact CB-CG2 3.69Å; A293-L325 HydrophobicContact CB-CD1 4.11Å |
| 294 | A | 84.8 | Confident | 84 | Confident | 45 Ų | 45 | 77.8 Ų | 77.8 | 37% | 0.372 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -59.7 | -40.4 | 179 | 0 | 0 | 0 | 0 | 0 | 112.8 | K292 R298 | K292-A294 PolarHBondContact O-N 2.64Å; A294-R298 VanDerWaalsContact O-CB 3.3Å; A294-R298 WeakPolarHBondContact O-CB 3.49Å; A294-R298 PolarHBondContact O-N 2.9Å |
| 295 | E | 86.4 | Confident | 83.9 | Confident | 102 Ų | 102 | 80.6 Ų | 80.6 | 48% | 0.477 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -70.9 | -41.8 | 179.7 | -175.5 | 171.1 | -169.2 | 0 | 0 | 111.5 | K292 A293 R298 N299 | K292-E295 PolarHBondContact O-N 3.06Å; A293-E295 VanDerWaalsContact C-N 3.33Å; A293-E295 PolarHBondContact O-N 2.89Å; E295-R298 PolarHBondContact O-N 3.26Å; E295-N299 WeakPolarHBondContact O-CB 3.15Å; E295-N299 VanDerWaalsContact O-CG 3.25Å; E295-N299 PolarHBondContact O-N 3.28Å; E295-N299 PolarHBondContact O-ND2 3.43Å |
| 296 | V | 90.4 | Very high | 84.1 | Confident | 8 Ų | 8 | 80 Ų | 80 | 5% | 0.048 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -62.5 | -48.8 | 175.5 | 179.1 | 0 | 0 | 0 | 0 | 110.5 | V229 L256 F280 V282 L291 K292 A293 R298 N299 L300 | V229-V296 HydrophobicContact CG2-CB 4.03Å; V229-V296 HydrophobicContact CG2-CG1 4Å; L256-V296 HydrophobicContact CD1-CG1 3.88Å; L256-V296 HydrophobicContact CD2-CG1 4.12Å; F280-V296 HydrophobicContact CE2-CG1 4.34Å; V282-V296 HydrophobicContact CB-CG2 4.4Å; V282-V296 HydrophobicContact CG2-CG1 3.98Å; V282-V296 HydrophobicContact CG2-CG2 4.19Å; L291-V296 HydrophobicContact CB-CG2 3.85Å; L291-V296 HydrophobicContact CD1-CG2 4.32Å; K292-V296 PolarHBondContact O-N 3.09Å; A293-V296 PolarHBondContact O-N 2.88Å; V296-R298 PolarHBondContact O-N 2.75Å; V296-N299 PolarHBondContact O-N 3.17Å; V296-L300 VanDerWaalsContact O-CB 3.3Å; V296-L300 WeakPolarHBondContact O-CB 3.47Å; V296-L300 PolarHBondContact O-N 3.03Å |
| 297 | A | 89.3 | Confident | 83.7 | Confident | 7 Ų | 7 | 79.3 Ų | 79.3 | 6% | 0.058 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -60 | -44.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | A293 L300 H301 V319 T321 | A293-A297 VanDerWaalsContact O-CB 3.3Å; A293-A297 WeakPolarHBondContact O-CB 3.42Å; A293-A297 PolarHBondContact O-N 3.03Å; A297-L300 PolarHBondContact O-N 3.08Å; A297-H301 PolarHBondContact O-CD2 2.99Å; A297-H301 PolarHBondContact O-N 2.8Å; A297-V319 HydrophobicContact CB-CG1 4.17Å; A297-T321 HydrophobicContact CB-CG2 4.39Å |
| 298 | R | 85.1 | Confident | 83.4 | Confident | 117 Ų | 117 | 81.5 Ų | 81.5 | 44% | 0.442 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -63.4 | -44.7 | 177.4 | -168.8 | -175.1 | 70.9 | 136.4 | 1.1 | 112.4 | A294 E295 V296 L300 H301 M302 | A294-R298 VanDerWaalsContact O-CB 3.3Å; A294-R298 WeakPolarHBondContact O-CB 3.49Å; A294-R298 PolarHBondContact O-N 2.9Å; E295-R298 PolarHBondContact O-N 3.26Å; V296-R298 PolarHBondContact O-N 2.75Å; R298-L300 VanDerWaalsContact C-N 3.28Å; R298-L300 PolarHBondContact O-N 2.85Å; R298-H301 PolarHBondContact O-N 2.95Å; R298-M302 WeakPolarHBondContact O-CB 3.44Å; R298-M302 PolarHBondContact O-N 3.01Å |
| 299 | N | 87.6 | Confident | 82.8 | Confident | 61 Ų | 61 | 76.8 Ų | 76.8 | 33% | 0.326 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -61.6 | -40.7 | 176.9 | -74.9 | -17.4 | 0 | 0 | 0 | 111.2 | L256 E295 V296 M302 R303 | L256-N299 HydrophobicContact CD2-CB 4.28Å; E295-N299 WeakPolarHBondContact O-CB 3.15Å; E295-N299 VanDerWaalsContact O-CG 3.25Å; E295-N299 PolarHBondContact O-N 3.28Å; E295-N299 PolarHBondContact O-ND2 3.43Å; V296-N299 PolarHBondContact O-N 3.17Å; N299-M302 PolarHBondContact O-N 3.38Å; N299-R303 WeakPolarHBondContact O-CB 3.45Å; N299-R303 VanDerWaalsContact O-CG 3.23Å; N299-R303 WeakPolarHBondContact O-CG 3.36Å; N299-R303 PolarHBondContact O-N 2.99Å |
| 300 | L | 88.7 | Confident | 82.1 | Confident | 0 Ų | 0 | 76.3 Ų | 76.3 | 0% | 0 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -68.7 | -42.7 | -179.5 | -151.8 | 142.5 | 0 | 0 | 0 | 111.4 | L231 L252 L256 F280 V296 A297 R298 M302 R303 L304 V319 | L231-L300 HydrophobicContact CD1-CD2 4.31Å; L252-L300 HydrophobicContact CD2-CD1 4.01Å; L256-L300 HydrophobicContact CD1-CD1 4.08Å; L256-L300 HydrophobicContact CD2-CB 4.22Å; L256-L300 HydrophobicContact CD2-CD1 4.04Å; L256-L300 HydrophobicContact CD2-CG 4.44Å; L256-L300 HydrophobicContact CG-CD1 4.16Å; F280-L300 HydrophobicContact CZ-CD1 4.1Å; V296-L300 VanDerWaalsContact O-CB 3.3Å; V296-L300 WeakPolarHBondContact O-CB 3.47Å; V296-L300 PolarHBondContact O-N 3.03Å; A297-L300 PolarHBondContact O-N 3.08Å; R298-L300 VanDerWaalsContact C-N 3.28Å; R298-L300 PolarHBondContact O-N 2.85Å; L300-M302 PolarHBondContact O-N 3.32Å; L300-R303 PolarHBondContact O-N 2.79Å; L300-L304 HydrophobicContact CD2-CD1 3.43Å; L300-L304 VanDerWaalsContact CD2-CD1 3.43Å; L300-L304 HydrophobicContact CD2-CG 4.06Å; L300-L304 WeakPolarHBondContact O-CB 3.32Å; L300-L304 VanDerWaalsContact O-CG 3.26Å; L300-L304 WeakPolarHBondContact O-CG 3.36Å; L300-L304 PolarHBondContact O-N 3Å; L300-V319 HydrophobicContact CB-CG1 4.42Å; L300-V319 HydrophobicContact CD2-CB 4.4Å; L300-V319 HydrophobicContact CD2-CG1 3.95Å; L300-V319 HydrophobicContact CD2-CG2 3.57Å |
| 301 | H | 86.1 | Confident | 82 | Confident | 94 Ų | 94 | 77.9 Ų | 77.9 | 44% | 0.435 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -57.3 | -46.8 | 170.9 | -90.1 | -61.4 | 0 | 0 | 0 | 112.5 | A297 R298 R303 S305 V319 | A297-H301 PolarHBondContact O-CD2 2.99Å; A297-H301 PolarHBondContact O-N 2.8Å; R298-H301 PolarHBondContact O-N 2.95Å; H301-R303 VanDerWaalsContact C-N 3.34Å; H301-R303 PolarHBondContact O-N 3.45Å; H301-S305 WeakPolarHBondContact O-CB 3.29Å; H301-S305 PolarHBondContact O-N 2.95Å; H301-S305 VanDerWaalsContact O-N 3.08Å; H301-S305 PolarHBondContact O-OG 3Å; H301-V319 PolarHBondContact NE2-O 2.93Å |
| 302 | M | 82.4 | Confident | 81.9 | Confident | 80 Ų | 80 | 75.4 Ų | 75.4 | 39% | 0.394 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -66.8 | -35.3 | -179.4 | -163.5 | -166.9 | -55.5 | 0 | 0 | 112.5 | R298 N299 L300 S305 K306 | R298-M302 WeakPolarHBondContact O-CB 3.44Å; R298-M302 PolarHBondContact O-N 3.01Å; N299-M302 PolarHBondContact O-N 3.38Å; L300-M302 PolarHBondContact O-N 3.32Å; M302-S305 WeakPolarHBondContact CA-OG 3.45Å; M302-S305 PolarHBondContact O-OG 2.92Å; M302-K306 HydrophobicContact CG-CD 4.49Å; M302-K306 WeakPolarHBondContact O-CB 3.31Å; M302-K306 VanDerWaalsContact O-CG 3.31Å; M302-K306 WeakPolarHBondContact O-CG 3.43Å; M302-K306 PolarHBondContact O-N 2.77Å |
| 303 | R | 85.8 | Confident | 81.8 | Confident | 117 Ų | 117 | 71.5 Ų | 71.5 | 44% | 0.442 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -75.5 | -45.4 | 178.9 | -72.7 | -75.4 | -177.6 | 174.2 | 1.6 | 111.9 | L255 N299 L300 H301 S305 K306 E307 | L255-R303 HydrophobicContact CD2-CB 4.27Å; N299-R303 WeakPolarHBondContact O-CB 3.45Å; N299-R303 VanDerWaalsContact O-CG 3.23Å; N299-R303 WeakPolarHBondContact O-CG 3.36Å; N299-R303 PolarHBondContact O-N 2.99Å; L300-R303 PolarHBondContact O-N 2.79Å; H301-R303 VanDerWaalsContact C-N 3.34Å; H301-R303 PolarHBondContact O-N 3.45Å; R303-S305 VanDerWaalsContact C-N 3.3Å; R303-S305 PolarHBondContact O-N 3.06Å; R303-K306 PolarHBondContact O-N 2.75Å; R303-K306 VanDerWaalsContact O-N 3.14Å; R303-E307 IonicContact NH1-OE1 2.6Å; R303-E307 PolarHBondContact NH1-OE1 3.32Å; R303-E307 VanDerWaalsContact NH1-OE1 3.11Å; R303-E307 WeakPolarHBondContact O-CB 3.43Å; R303-E307 PolarHBondContact O-N 3.06Å |
| 304 | L | 85.3 | Confident | 81.8 | Confident | 23 Ų | 23 | 72.6 Ų | 72.6 | 12% | 0.12 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -63.9 | -34.1 | 178.1 | -71.1 | 179.8 | 0 | 0 | 0 | 113 | L255 L300 L312 V316 V319 | L255-L304 HydrophobicContact CD1-CD2 3.81Å; L300-L304 HydrophobicContact CD2-CD1 3.43Å; L300-L304 VanDerWaalsContact CD2-CD1 3.43Å; L300-L304 HydrophobicContact CD2-CG 4.06Å; L300-L304 WeakPolarHBondContact O-CB 3.32Å; L300-L304 VanDerWaalsContact O-CG 3.26Å; L300-L304 WeakPolarHBondContact O-CG 3.36Å; L300-L304 PolarHBondContact O-N 3Å; L304-L312 HydrophobicContact CD2-CD1 3.63Å; L304-L312 HydrophobicContact CD2-CG 4.27Å; L304-V316 HydrophobicContact CD1-CB 4.01Å; L304-V316 HydrophobicContact CD1-CG1 3.93Å; L304-V316 HydrophobicContact CD1-CG2 3.91Å; L304-V319 HydrophobicContact CD1-CG2 4.18Å |
| 305 | S | 81 | Confident | 82.1 | Confident | 94 Ų | 94 | 76.4 Ų | 76.4 | 66% | 0.657 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -70.2 | -33.4 | 174.3 | 51.6 | 0 | 0 | 0 | 0 | 112.9 | H301 M302 R303 | H301-S305 WeakPolarHBondContact O-CB 3.29Å; H301-S305 PolarHBondContact O-N 2.95Å; H301-S305 VanDerWaalsContact O-N 3.08Å; H301-S305 PolarHBondContact O-OG 3Å; M302-S305 WeakPolarHBondContact CA-OG 3.45Å; M302-S305 PolarHBondContact O-OG 2.92Å; R303-S305 VanDerWaalsContact C-N 3.3Å; R303-S305 PolarHBondContact O-N 3.06Å |
| 306 | K | 79.2 | Confident | 82.2 | Confident | 152 Ų | 152 | 72.8 Ų | 72.8 | 66% | 0.661 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -82 | -43 | -179.7 | -76.2 | 178.6 | 178.9 | 176.9 | 0 | 114 | M302 R303 K308 | M302-K306 HydrophobicContact CG-CD 4.49Å; M302-K306 WeakPolarHBondContact O-CB 3.31Å; M302-K306 VanDerWaalsContact O-CG 3.31Å; M302-K306 WeakPolarHBondContact O-CG 3.43Å; M302-K306 PolarHBondContact O-N 2.77Å; R303-K306 PolarHBondContact O-N 2.75Å; R303-K306 VanDerWaalsContact O-N 3.14Å; K306-K308 VanDerWaalsContact C-N 3.31Å; K306-K308 PolarHBondContact O-N 3.15Å |
| 307 | E | 68.6 | Low | 82.1 | Confident | 82 Ų | 82 | 76.7 Ų | 76.7 | 38% | 0.383 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -89.5 | 7.3 | -169.5 | -69.1 | 178.6 | -162.6 | 0 | 0 | 113.8 | L255 R303 | L255-E307 WeakPolarHBondContact CD2-OE2 3.48Å; R303-E307 IonicContact NH1-OE1 2.6Å; R303-E307 PolarHBondContact NH1-OE1 3.32Å; R303-E307 VanDerWaalsContact NH1-OE1 3.11Å; R303-E307 WeakPolarHBondContact O-CB 3.43Å; R303-E307 PolarHBondContact O-N 3.06Å |
| 308 | K | 63.2 | Low | 82 | Confident | 162 Ų | 162 | 81.2 Ų | 81.2 | 70% | 0.704 | 39% | 0.39 | S | S | * | . | trans | 62.8 | 143.7 | -169.7 | -60.5 | -179.8 | 178 | 179.1 | 0 | 112.1 | K306 D310 | K306-K308 VanDerWaalsContact C-N 3.31Å; K306-K308 PolarHBondContact O-N 3.15Å; K308-D310 PolarHBondContact O-N 3.2Å | ||
| 309 | A | 62.8 | Low | 82.2 | Confident | 48 Ų | 48 | 75.8 Ų | 75.8 | 40% | 0.397 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -3 | -172 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 310 | D | 68.8 | Low | 82.2 | Confident | 145 Ų | 145 | 74.3 Ų | 74.3 | 78% | 0.775 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | -3.9 | -173.4 | -59.2 | -28.1 | 0 | 0 | 0 | 114 | K308 L312 | K308-D310 PolarHBondContact O-N 3.2Å; D310-L312 VanDerWaalsContact C-N 3.3Å; D310-L312 PolarHBondContact O-N 2.95Å |
| 311 | F | 81.2 | Confident | 82.2 | Confident | 77 Ų | 77 | 75.3 Ų | 75.3 | 34% | 0.338 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -66.2 | -33.8 | 177.7 | -177.8 | -94.6 | 0 | 0 | 0 | 112.6 | Q251 V254 L255 | Q251-F311 HydrophobicContact CB-CD1 4.38Å; Q251-F311 HydrophobicContact CB-CE1 3.9Å; Q251-F311 HydrophobicContact CG-CE1 4.35Å; Q251-F311 PolarHBondContact NE2-O 3.12Å; Q251-F311 VanDerWaalsContact NE2-O 3.09Å; Q251-F311 WeakPolarHBondContact O-CE1 3.24Å; V254-F311 HydrophobicContact CB-CE1 4.43Å; V254-F311 HydrophobicContact CB-CZ 4.17Å; V254-F311 HydrophobicContact CG1-CE1 4.45Å; V254-F311 HydrophobicContact CG1-CZ 3.83Å; L255-F311 HydrophobicContact CD1-CD1 3.88Å; L255-F311 HydrophobicContact CD1-CE1 4.31Å; L255-F311 HydrophobicContact CD2-CD1 3.78Å; L255-F311 HydrophobicContact CD2-CE1 4.1Å; L255-F311 HydrophobicContact CD2-CG 4.37Å; L255-F311 HydrophobicContact CG-CD1 3.68Å; L255-F311 HydrophobicContact CG-CE1 3.74Å |
| 312 | L | 86.1 | Confident | 82.2 | Confident | 9 Ų | 9 | 71.6 Ų | 71.6 | 5% | 0.047 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -84 | 145.2 | 177.6 | -71.7 | 172.2 | 0 | 0 | 0 | 110.8 | Q251 L252 L255 L304 D310 F314 V316 | Q251-L312 HydrophobicContact CB-CD2 3.67Å; L252-L312 HydrophobicContact CD2-CD1 4.15Å; L252-L312 HydrophobicContact CD2-CD2 3.94Å; L252-L312 HydrophobicContact CG-CD2 4.09Å; L255-L312 HydrophobicContact CD1-CD1 4.09Å; L255-L312 HydrophobicContact CD1-CD2 3.88Å; L255-L312 HydrophobicContact CD1-CG 3.9Å; L304-L312 HydrophobicContact CD2-CD1 3.63Å; L304-L312 HydrophobicContact CD2-CG 4.27Å; D310-L312 VanDerWaalsContact C-N 3.3Å; D310-L312 PolarHBondContact O-N 2.95Å; L312-F314 WeakPolarHBondContact CB-O 3.42Å; L312-F314 PolarHBondContact O-N 2.9Å; L312-F314 VanDerWaalsContact O-N 3.07Å; L312-V316 HydrophobicContact CD1-CG2 3.29Å |
| 313 | L | 86.2 | Confident | 82.2 | Confident | 79 Ų | 79 | 68.2 Ų | 68.2 | 41% | 0.414 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -53.6 | -30.6 | 177.2 | -178.2 | 64.1 | 0 | 0 | 0 | 113 | R244 | R244-L313 HydrophobicContact CB-CD2 3.86Å; R244-L313 HydrophobicContact CG-CD2 3.97Å |
| 314 | F | 89.4 | Confident | 82 | Confident | 23 Ų | 23 | 64.8 Ų | 64.8 | 10% | 0.101 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -126.2 | 147.1 | 177.3 | -49.2 | -70.8 | 0 | 0 | 0 | 110.5 | L233 V235 L240 R244 L248 L312 V316 | L233-F314 HydrophobicContact CB-CB 4.31Å; L233-F314 HydrophobicContact CD1-CD2 4.14Å; L233-F314 HydrophobicContact CD2-CB 4.41Å; V235-F314 HydrophobicContact CB-CD1 3.72Å; V235-F314 HydrophobicContact CB-CE1 4.01Å; V235-F314 HydrophobicContact CB-CG 4.09Å; V235-F314 HydrophobicContact CG1-CB 4.44Å; V235-F314 HydrophobicContact CG1-CD1 4.05Å; V235-F314 HydrophobicContact CG1-CD2 4.16Å; V235-F314 HydrophobicContact CG1-CE1 4.32Å; V235-F314 HydrophobicContact CG1-CE2 4.42Å; V235-F314 HydrophobicContact CG1-CG 3.95Å; V235-F314 HydrophobicContact CG1-CZ 4.47Å; V235-F314 HydrophobicContact CG2-CD1 3.89Å; V235-F314 HydrophobicContact CG2-CE1 3.64Å; V235-F314 HydrophobicContact CG2-CZ 4.17Å; L240-F314 HydrophobicContact CD1-CD2 4.42Å; L240-F314 HydrophobicContact CD1-CE2 3.49Å; L240-F314 VanDerWaalsContact CD1-CE2 3.49Å; L240-F314 HydrophobicContact CD1-CZ 3.94Å; R244-F314 HydrophobicContact CB-CE2 4.43Å; R244-F314 HydrophobicContact CB-CZ 4.07Å; R244-F314 HydrophobicContact CG-CZ 4.48Å; L248-F314 HydrophobicContact CD1-CD2 3.66Å; L248-F314 HydrophobicContact CD1-CE2 4.26Å; L312-F314 WeakPolarHBondContact CB-O 3.42Å; L312-F314 PolarHBondContact O-N 2.9Å; L312-F314 VanDerWaalsContact O-N 3.07Å; F314-V316 PolarHBondContact O-N 3.02Å |
| 315 | K | 89.8 | Confident | 81.7 | Confident | 124 Ų | 124 | 67.1 Ų | 67.1 | 54% | 0.539 | 35% | 0.345 | S | S | . | . | trans | -65 | 125.5 | 174.5 | -175.7 | 171 | 173.7 | -173.7 | 0 | 110.4 | Q234 | Q234-K315 HydrophobicContact CB-CB 4.27Å; Q234-K315 PolarHBondContact N-O 3.2Å | ||
| 316 | V | 90.1 | Very high | 81.6 | Confident | 27 Ų | 27 | 65 Ų | 65 | 16% | 0.164 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 123.6 | 174.8 | 179.3 | 0 | 0 | 0 | 0 | 109.2 | L231 L233 L304 L312 F314 V319 | L231-V316 HydrophobicContact CD1-CB 4.39Å; L231-V316 HydrophobicContact CD1-CG1 3.49Å; L231-V316 VanDerWaalsContact CD1-CG1 3.49Å; L231-V316 HydrophobicContact CD1-CG2 3.98Å; L233-V316 HydrophobicContact CD2-CG2 3.86Å; L304-V316 HydrophobicContact CD1-CB 4.01Å; L304-V316 HydrophobicContact CD1-CG1 3.93Å; L304-V316 HydrophobicContact CD1-CG2 3.91Å; L312-V316 HydrophobicContact CD1-CG2 3.29Å; F314-V316 PolarHBondContact O-N 3.02Å; V316-V319 HydrophobicContact CG1-CG2 3.7Å |
| 317 | L | 88.3 | Confident | 81.6 | Confident | 89 Ų | 89 | 66.8 Ų | 66.8 | 47% | 0.466 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | -40.9 | 175.4 | -63.1 | 177.4 | 0 | 0 | 0 | 111.2 | T232 Q234 | T232-L317 HydrophobicContact CG2-CB 4.22Å; T232-L317 HydrophobicContact CG2-CD1 4.25Å; T232-L317 PolarHBondContact O-N 2.89Å; Q234-L317 HydrophobicContact CB-CD1 4.01Å; Q234-L317 HydrophobicContact CB-CD2 4.02Å; Q234-L317 HydrophobicContact CB-CG 3.95Å; Q234-L317 HydrophobicContact CG-CD1 4.44Å; Q234-L317 HydrophobicContact CG-CD2 4.44Å |
| 318 | R | 87.3 | Confident | 82.3 | Confident | 102 Ų | 102 | 63.1 Ų | 63.1 | 39% | 0.385 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.8 | 148 | -175.4 | -153.3 | 167.4 | 68 | -172.4 | 11.9 | 112 | T232 D320 | T232-R318 PolarHBondContact N-O 2.78Å; T232-R318 PolarHBondContact O-N 2.9Å; R318-D320 WeakPolarHBondContact CD-OD2 3.48Å; R318-D320 IonicContact CZ-OD2 2.79Å; R318-D320 IonicContact NE-OD1 3.74Å; R318-D320 IonicContact NE-OD2 3.76Å; R318-D320 PolarHBondContact NE-OD2 2.86Å; R318-D320 IonicContact NH2-OD2 3.11Å; R318-D320 PolarHBondContact NH2-OD2 3.06Å; R318-D320 VanDerWaalsContact NH2-OD2 3.11Å |
| 319 | V | 89.2 | Confident | 83.3 | Confident | 4 Ų | 4 | 57.8 Ų | 57.8 | 2% | 0.024 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 113.8 | 173.8 | -172.2 | 0 | 0 | 0 | 0 | 107.4 | V229 L231 A297 L300 H301 L304 V316 | V229-V319 HydrophobicContact CG1-CG1 4.01Å; L231-V319 HydrophobicContact CD1-CG2 3.72Å; A297-V319 HydrophobicContact CB-CG1 4.17Å; L300-V319 HydrophobicContact CB-CG1 4.42Å; L300-V319 HydrophobicContact CD2-CB 4.4Å; L300-V319 HydrophobicContact CD2-CG1 3.95Å; L300-V319 HydrophobicContact CD2-CG2 3.57Å; H301-V319 PolarHBondContact NE2-O 2.93Å; L304-V319 HydrophobicContact CD1-CG2 4.18Å; V316-V319 HydrophobicContact CG1-CG2 3.7Å |
| 320 | D | 87.8 | Confident | 84.3 | Confident | 30 Ų | 30 | 58.7 Ų | 58.7 | 16% | 0.16 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 170.3 | -179.5 | -57.9 | -44.1 | 0 | 0 | 0 | 111.1 | V229 E230 R318 K339 | V229-D320 CarbonylContact C-O 3.52Å; V229-D320 WeakPolarHBondContact CA-O 3.29Å; V229-D320 WeakPolarHBondContact CG1-O 3.3Å; E230-D320 PolarHBondContact N-O 3.35Å; E230-D320 PolarHBondContact O-N 3.19Å; R318-D320 WeakPolarHBondContact CD-OD2 3.48Å; R318-D320 IonicContact CZ-OD2 2.79Å; R318-D320 IonicContact NE-OD1 3.74Å; R318-D320 IonicContact NE-OD2 3.76Å; R318-D320 PolarHBondContact NE-OD2 2.86Å; R318-D320 IonicContact NH2-OD2 3.11Å; R318-D320 PolarHBondContact NH2-OD2 3.06Å; R318-D320 VanDerWaalsContact NH2-OD2 3.11Å; D320-K339 HydrophobicContact CB-CG 4.29Å |
| 321 | T | 88.6 | Confident | 85.2 | Confident | 20 Ų | 20 | 55.2 Ų | 55.2 | 12% | 0.123 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 143.3 | 164.7 | 59.2 | 0 | 0 | 0 | 0 | 110.3 | A293 A297 G323 L325 | A293-T321 HydrophobicContact CB-CG2 3.69Å; A297-T321 HydrophobicContact CB-CG2 4.39Å; T321-G323 CarbonylContact C-O 3.5Å; T321-G323 WeakPolarHBondContact CB-O 3.5Å; T321-G323 PolarHBondContact O-N 3.15Å; T321-G323 PolarHBondContact OG1-O 3.33Å; T321-L325 HydrophobicContact CG2-CD1 4.29Å |
| 322 | A | 84.6 | Confident | 85.4 | Confident | 17 Ų | 17 | 52.9 Ų | 52.9 | 14% | 0.14 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -65 | -42.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L228 E230 V279 K339 | L228-A322 HydrophobicContact CB-CB 3.52Å; L228-A322 HydrophobicContact CD1-CB 4.36Å; L228-A322 PolarHBondContact O-N 2.82Å; E230-A322 HydrophobicContact CG-CB 3.76Å; V279-A322 HydrophobicContact CG1-CB 4.34Å; A322-K339 PolarHBondContact O-NZ 2.81Å |
| 323 | G | 82.4 | Confident | 85.5 | Confident | 8 Ų | 8 | 58.3 Ų | 58.3 | 8% | 0.082 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -83.8 | 154 | 166.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | T321 L325 | T321-G323 CarbonylContact C-O 3.5Å; T321-G323 WeakPolarHBondContact CB-O 3.5Å; T321-G323 PolarHBondContact O-N 3.15Å; T321-G323 PolarHBondContact OG1-O 3.33Å; G323-L325 PolarHBondContact O-N 2.77Å |
| 324 | C | 82 | Confident | 85.5 | Confident | 46 Ų | 46 | 55.3 Ų | 55.3 | 31% | 0.311 | 30% | 0.302 | S | S | . | . | trans | -73.7 | 105.5 | 162.3 | 163.4 | 0 | 0 | 0 | 0 | 108.6 | C334 | C324-C334 VanDerWaalsContact CA-SG 3.6Å; C324-C334 HydrophobicContact CB-CB 4.33Å; C324-C334 WeakPolarHBondContact CB-SG 3.35Å; C324-C334 WeakPolarHBondContact SG-CA 3.29Å; C324-C334 WeakPolarHBondContact SG-CB 3.47Å; C324-C334 PolarHBondContact SG-O 3.39Å; C324-C334 CovalentContact SG-SG 1.99Å; C324-C334 PolarHBondContact SG-SG 3.44Å | ||
| 325 | L | 79.4 | Confident | 85.3 | Confident | 72 Ų | 72 | 55.6 Ų | 55.6 | 38% | 0.377 | 30% | 0.304 | S | S | . | . | trans | -111.1 | 0.3 | -177.8 | -62 | 175.1 | 0 | 0 | 0 | 113.2 | S226 A293 T321 G323 K327 | S226-L325 VanDerWaalsContact O-CD1 3.28Å; S226-L325 WeakPolarHBondContact O-CD1 3.39Å; A293-L325 HydrophobicContact CB-CD1 4.11Å; T321-L325 HydrophobicContact CG2-CD1 4.29Å; G323-L325 PolarHBondContact O-N 2.77Å; L325-K327 PolarHBondContact O-N 3.31Å | ||
| 326 | L | 78.9 | Confident | 84.9 | Confident | 50 Ų | 50 | 53.9 Ų | 53.9 | 26% | 0.262 | 31% | 0.306 | S | S | . | . | trans | -70.6 | 126 | 178 | -66.2 | 169 | 0 | 0 | 0 | 109.5 | C328 C334 K339 | L326-C328 PolarHBondContact O-N 2.82Å; L326-C334 HydrophobicContact CB-CB 3.91Å; L326-K339 WeakPolarHBondContact CD1-O 3.29Å | ||
| 327 | K | 78.9 | Confident | 84.5 | Confident | 189 Ų | 189 | 59.6 Ų | 59.6 | 82% | 0.822 | 33% | 0.334 | S | S | * | . | trans | -76.1 | -8.6 | 177 | -66.8 | -173.5 | 177.3 | -175.8 | 0 | 113.6 | L325 S329 G330 | L325-K327 PolarHBondContact O-N 3.31Å; K327-S329 PolarHBondContact O-N 2.92Å; K327-G330 PolarHBondContact O-N 2.72Å | ||
| 328 | C | 84.1 | Confident | 84.1 | Confident | 5 Ų | 5 | 58.8 Ų | 58.8 | 3% | 0.034 | 33% | 0.333 | C | S | . | . | G | 310 helix | trans | 44.8 | 38.1 | -178.9 | -53.5 | 0 | 0 | 0 | 0 | 113.5 | L326 G330 H331 C334 C341 C363 | L326-C328 PolarHBondContact O-N 2.82Å; C328-G330 PolarHBondContact O-N 2.82Å; C328-H331 PolarHBondContact O-N 3.24Å; C328-C334 WeakPolarHBondContact SG-CB 3.49Å; C328-C341 WeakPolarHBondContact CA-SG 3.32Å; C328-C341 HydrophobicContact CB-CB 3.71Å; C328-C341 WeakPolarHBondContact CB-SG 3.45Å; C328-C341 WeakPolarHBondContact SG-CA 3.37Å; C328-C341 WeakPolarHBondContact SG-CB 3.37Å; C328-C341 CovalentContact SG-SG 2.03Å; C328-C341 PolarHBondContact SG-SG 3.42Å; C328-C363 WeakPolarHBondContact O-CB 3.34Å |
| 329 | S | 84.3 | Confident | 84 | Confident | 49 Ų | 49 | 55.6 Ų | 55.6 | 34% | 0.343 | 32% | 0.322 | S | S | . | . | G | 310 helix | trans | 54.2 | 19.6 | -180 | -46.9 | 0 | 0 | 0 | 0 | 115.2 | K327 H331 E364 | K327-S329 PolarHBondContact O-N 2.92Å; S329-H331 PolarHBondContact O-CD2 2.8Å; S329-H331 VanDerWaalsContact O-CD2 3.26Å; S329-H331 PolarHBondContact O-N 3.01Å; S329-E364 WeakPolarHBondContact OG-CG 3.47Å |
| 330 | G | 83.4 | Confident | 83.7 | Confident | 67 Ų | 67 | 61.6 Ų | 61.6 | 69% | 0.691 | 35% | 0.345 | S | S | * | . | G | 310 helix | trans | 74.8 | 2.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115 | K327 C328 | K327-G330 PolarHBondContact O-N 2.72Å; C328-G330 PolarHBondContact O-N 2.82Å |
| 331 | H | 86.5 | Confident | 83.7 | Confident | 72 Ų | 72 | 60.5 Ų | 60.5 | 33% | 0.333 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -119.3 | 23.5 | -173.7 | -64.1 | -55.1 | 0 | 0 | 0 | 113.3 | C328 S329 S344 W347 C363 | C328-H331 PolarHBondContact O-N 3.24Å; S329-H331 PolarHBondContact O-CD2 2.8Å; S329-H331 VanDerWaalsContact O-CD2 3.26Å; S329-H331 PolarHBondContact O-N 3.01Å; H331-S344 WeakPolarHBondContact O-CB 3.39Å; H331-S344 PolarHBondContact O-N 3.33Å; H331-S344 PolarHBondContact O-OG 3.2Å; H331-W347 HydrophobicContact CB-CB 4.13Å; H331-W347 HydrophobicContact CB-CD2 3.63Å; H331-W347 HydrophobicContact CB-CE3 4.19Å; H331-W347 HydrophobicContact CB-CG 3.58Å; H331-W347 AromaticContact CD2-CD2 3.79Å; H331-W347 AromaticContact CD2-CE2 3.67Å; H331-W347 AromaticContact CD2-CE3 3.75Å; H331-W347 AromaticContact CD2-CH2 3.52Å; H331-W347 AromaticContact CD2-CZ2 3.56Å; H331-W347 AromaticContact CD2-CZ3 3.62Å; H331-W347 AromaticContact CE1-CE2 3.8Å; H331-W347 AromaticContact CE1-CH2 3.93Å; H331-W347 AromaticContact CE1-CZ2 3.4Å; H331-W347 VanDerWaalsContact CE1-CZ2 3.4Å; H331-W347 WeakPolarHBondContact CE1-CZ2 3.47Å; H331-W347 AromaticContact CG-CD2 3.58Å; H331-W347 AromaticContact CG-CE2 3.4Å; H331-W347 VanDerWaalsContact CG-CE2 3.4Å; H331-W347 AromaticContact CG-CZ2 3.72Å; H331-W347 AromaticContact CG-NE1 3.72Å; H331-W347 AromaticContact ND1-CE2 3.49Å; H331-W347 AromaticContact ND1-CZ2 3.62Å; H331-W347 AromaticContact ND1-NE1 3.57Å; H331-W347 AromaticContact NE2-CE2 3.92Å; H331-W347 AromaticContact NE2-CH2 3.39Å; H331-W347 WeakPolarHBondContact NE2-CH2 3.48Å; H331-W347 AromaticContact NE2-CZ2 3.37Å; H331-W347 WeakPolarHBondContact NE2-CZ2 3.46Å; H331-W347 AromaticContact NE2-CZ3 3.97Å; H331-C363 HydrophobicContact CB-CB 4.39Å |
| 332 | G | 86.2 | Confident | 83.6 | Confident | 29 Ų | 29 | 63.4 Ų | 63.4 | 30% | 0.299 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -170.8 | 179.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | I342 | G332-I342 VanDerWaalsContact CA-O 3.26Å; G332-I342 WeakPolarHBondContact CA-O 3.41Å |
| 333 | H | 87.5 | Confident | 83.9 | Confident | 123 Ų | 123 | 64.1 Ų | 64.1 | 57% | 0.569 | 36% | 0.356 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 148.8 | 168.7 | 60.2 | 34.3 | 0 | 0 | 0 | 108.8 | I342 | H333-I342 PolarHBondContact N-O 3.3Å; H333-I342 VanDerWaalsContact N-O 3.12Å; H333-I342 PolarHBondContact O-N 3.43Å |
| 334 | C | 86.4 | Confident | 84.2 | Confident | 16 Ų | 16 | 66.2 Ų | 66.2 | 11% | 0.108 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 135.9 | 173.8 | 137.6 | 0 | 0 | 0 | 0 | 110.5 | C324 L326 C328 R340 | C324-C334 VanDerWaalsContact CA-SG 3.6Å; C324-C334 HydrophobicContact CB-CB 4.33Å; C324-C334 WeakPolarHBondContact CB-SG 3.35Å; C324-C334 WeakPolarHBondContact SG-CA 3.29Å; C324-C334 WeakPolarHBondContact SG-CB 3.47Å; C324-C334 PolarHBondContact SG-O 3.39Å; C324-C334 CovalentContact SG-SG 1.99Å; C324-C334 PolarHBondContact SG-SG 3.44Å; L326-C334 HydrophobicContact CB-CB 3.91Å; C328-C334 WeakPolarHBondContact SG-CB 3.49Å; C334-R340 WeakPolarHBondContact CA-O 3.5Å |
| 335 | D | 86.1 | Confident | 84.5 | Confident | 28 Ų | 28 | 73 Ų | 73 | 15% | 0.15 | 40% | 0.397 | C | S | . | . | trans | -80.2 | 126.1 | -175.2 | 170.1 | 17.1 | 0 | 0 | 0 | 110.1 | L337 T338 K339 R340 I342 | D335-L337 PolarHBondContact O-N 3.5Å; D335-L337 PolarHBondContact OD1-N 2.7Å; D335-T338 WeakPolarHBondContact CB-OG1 3.21Å; D335-T338 WeakPolarHBondContact OD2-CB 3.42Å; D335-T338 VanDerWaalsContact OD2-CG2 3.28Å; D335-T338 WeakPolarHBondContact OD2-CG2 3.33Å; D335-T338 PolarHBondContact OD2-N 3.42Å; D335-T338 VanDerWaalsContact OD2-N 3.15Å; D335-T338 PolarHBondContact OD2-OG1 3.35Å; D335-K339 WeakPolarHBondContact O-CA 3.29Å; D335-K339 PolarHBondContact O-N 2.99Å; D335-R340 PolarHBondContact N-O 3.33Å; D335-I342 HydrophobicContact CB-CD1 3.71Å; D335-I342 HydrophobicContact CB-CG1 4.11Å | ||
| 336 | P | 81.4 | Confident | 84.9 | Confident | 89 Ų | 89 | 75.5 Ų | 75.5 | 58% | 0.578 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -19.8 | 180 | 27.5 | -36.6 | 0 | 0 | 0 | 114.2 | K339 | P336-K339 WeakPolarHBondContact O-CD 3.16Å; P336-K339 WeakPolarHBondContact O-CE 3.49Å; P336-K339 PolarHBondContact O-NZ 2.9Å |
| 337 | L | 80.4 | Confident | 85.5 | Confident | 146 Ų | 146 | 76.7 Ų | 76.7 | 76% | 0.764 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | -58 | -179.5 | -78.7 | 140.7 | 0 | 0 | 0 | 112.2 | D335 K339 | D335-L337 PolarHBondContact O-N 3.5Å; D335-L337 PolarHBondContact OD1-N 2.7Å; L337-K339 VanDerWaalsContact C-N 3.27Å; L337-K339 PolarHBondContact O-N 2.76Å |
| 338 | T | 81.7 | Confident | 85.9 | Confident | 73 Ų | 73 | 70.3 Ų | 70.3 | 45% | 0.448 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -14.2 | -179.3 | 60.3 | 0 | 0 | 0 | 0 | 113.2 | D335 R340 | D335-T338 WeakPolarHBondContact CB-OG1 3.21Å; D335-T338 WeakPolarHBondContact OD2-CB 3.42Å; D335-T338 VanDerWaalsContact OD2-CG2 3.28Å; D335-T338 WeakPolarHBondContact OD2-CG2 3.33Å; D335-T338 PolarHBondContact OD2-N 3.42Å; D335-T338 VanDerWaalsContact OD2-N 3.15Å; D335-T338 PolarHBondContact OD2-OG1 3.35Å; T338-R340 PolarHBondContact O-N 2.86Å; T338-R340 PolarHBondContact OG1-N 2.87Å |
| 339 | K | 83.4 | Confident | 85.9 | Confident | 35 Ų | 35 | 72.1 Ų | 72.1 | 15% | 0.152 | 39% | 0.392 | C | S | . | . | trans | 55.8 | 23.7 | -172.4 | -52 | -59.4 | -172.3 | -170 | 0 | 112.9 | D320 A322 L326 D335 P336 L337 | D320-K339 HydrophobicContact CB-CG 4.29Å; A322-K339 PolarHBondContact O-NZ 2.81Å; L326-K339 WeakPolarHBondContact CD1-O 3.29Å; D335-K339 WeakPolarHBondContact O-CA 3.29Å; D335-K339 PolarHBondContact O-N 2.99Å; P336-K339 WeakPolarHBondContact O-CD 3.16Å; P336-K339 WeakPolarHBondContact O-CE 3.49Å; P336-K339 PolarHBondContact O-NZ 2.9Å; L337-K339 VanDerWaalsContact C-N 3.27Å; L337-K339 PolarHBondContact O-N 2.76Å | ||
| 340 | R | 83.3 | Confident | 85.9 | Confident | 130 Ų | 130 | 70.5 Ų | 70.5 | 49% | 0.491 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -110.9 | 155.8 | 178.9 | -68.8 | 177.8 | -176.4 | 176.6 | 1.4 | 111 | C334 D335 T338 S361 | C334-R340 WeakPolarHBondContact CA-O 3.5Å; D335-R340 PolarHBondContact N-O 3.33Å; T338-R340 PolarHBondContact O-N 2.86Å; T338-R340 PolarHBondContact OG1-N 2.87Å; R340-S361 VanDerWaalsContact CA-OG 3.29Å; R340-S361 WeakPolarHBondContact CA-OG 3.3Å |
| 341 | C | 87.4 | Confident | 85.6 | Confident | 6 Ų | 6 | 72.1 Ų | 72.1 | 4% | 0.041 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 124.8 | 171.9 | -74 | 0 | 0 | 0 | 0 | 110.6 | C328 S361 | C328-C341 WeakPolarHBondContact CA-SG 3.32Å; C328-C341 HydrophobicContact CB-CB 3.71Å; C328-C341 WeakPolarHBondContact CB-SG 3.45Å; C328-C341 WeakPolarHBondContact SG-CA 3.37Å; C328-C341 WeakPolarHBondContact SG-CB 3.37Å; C328-C341 CovalentContact SG-SG 2.03Å; C328-C341 PolarHBondContact SG-SG 3.42Å; C341-S361 PolarHBondContact N-OG 3.23Å; C341-S361 PolarHBondContact SG-O 3.4Å; C341-S361 VanDerWaalsContact SG-O 3.33Å |
| 342 | I | 88.3 | Confident | 85 | Confident | 82 Ų | 82 | 73 Ų | 73 | 42% | 0.421 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 113.1 | 165.6 | -59.7 | 175.6 | 0 | 0 | 0 | 106.3 | G332 H333 D335 | G332-I342 VanDerWaalsContact CA-O 3.26Å; G332-I342 WeakPolarHBondContact CA-O 3.41Å; H333-I342 PolarHBondContact N-O 3.3Å; H333-I342 VanDerWaalsContact N-O 3.12Å; H333-I342 PolarHBondContact O-N 3.43Å; D335-I342 HydrophobicContact CB-CD1 3.71Å; D335-I342 HydrophobicContact CB-CG1 4.11Å |
| 343 | C | 90 | Very high | 84.2 | Confident | 31 Ų | 31 | 74.2 Ų | 74.2 | 21% | 0.209 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 147.2 | -177.5 | -52.9 | 0 | 0 | 0 | 0 | 111.3 | W347 C363 | C343-W347 HydrophobicContact CB-CB 4.21Å; C343-W347 WeakPolarHBondContact CB-O 3.49Å; C343-C363 WeakPolarHBondContact CA-SG 3.46Å; C343-C363 HydrophobicContact CB-CB 3.74Å; C343-C363 WeakPolarHBondContact CB-SG 3.48Å; C343-C363 VanDerWaalsContact SG-CA 3.51Å; C343-C363 WeakPolarHBondContact SG-CB 3.04Å; C343-C363 CovalentContact SG-SG 2.04Å; C343-C363 PolarHBondContact SG-SG 2.93Å |
| 344 | S | 89.3 | Confident | 83.3 | Confident | 52 Ų | 52 | 72.5 Ų | 72.5 | 36% | 0.364 | 37% | 0.365 | S | S | . | . | trans | -65.4 | 159.8 | 170.6 | 59.6 | 0 | 0 | 0 | 0 | 111.1 | H331 L346 W347 | H331-S344 WeakPolarHBondContact O-CB 3.39Å; H331-S344 PolarHBondContact O-N 3.33Å; H331-S344 PolarHBondContact O-OG 3.2Å; S344-L346 PolarHBondContact O-N 3.33Å; S344-W347 PolarHBondContact O-N 3.47Å; S344-W347 VanDerWaalsContact O-O 3.09Å | ||
| 345 | H | 87.9 | Confident | 82.4 | Confident | 189 Ų | 189 | 81.9 Ų | 81.9 | 88% | 0.875 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.7 | -25.6 | -167.1 | -69 | -74.5 | 0 | 0 | 0 | 117.3 | I367 | H345-I367 WeakPolarHBondContact O-CD1 3.46Š|
| 346 | L | 88.5 | Confident | 81.2 | Confident | 125 Ų | 125 | 86.3 Ų | 86.3 | 65% | 0.654 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.5 | 1.3 | -177.7 | -65.2 | 173.4 | 0 | 0 | 0 | 114 | S344 I367 | S344-L346 PolarHBondContact O-N 3.33Å; L346-I367 PolarHBondContact O-N 3.03Å |
| 347 | W | 90.1 | Very high | 80.2 | Confident | 74 Ų | 74 | 91.5 Ų | 91.5 | 28% | 0.28 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 148.4 | -175.6 | -62.3 | 84.8 | 0 | 0 | 0 | 109.9 | H331 C343 S344 E364 W365 | H331-W347 HydrophobicContact CB-CB 4.13Å; H331-W347 HydrophobicContact CB-CD2 3.63Å; H331-W347 HydrophobicContact CB-CE3 4.19Å; H331-W347 HydrophobicContact CB-CG 3.58Å; H331-W347 AromaticContact CD2-CD2 3.79Å; H331-W347 AromaticContact CD2-CE2 3.67Å; H331-W347 AromaticContact CD2-CE3 3.75Å; H331-W347 AromaticContact CD2-CH2 3.52Å; H331-W347 AromaticContact CD2-CZ2 3.56Å; H331-W347 AromaticContact CD2-CZ3 3.62Å; H331-W347 AromaticContact CE1-CE2 3.8Å; H331-W347 AromaticContact CE1-CH2 3.93Å; H331-W347 AromaticContact CE1-CZ2 3.4Å; H331-W347 VanDerWaalsContact CE1-CZ2 3.4Å; H331-W347 WeakPolarHBondContact CE1-CZ2 3.47Å; H331-W347 AromaticContact CG-CD2 3.58Å; H331-W347 AromaticContact CG-CE2 3.4Å; H331-W347 VanDerWaalsContact CG-CE2 3.4Å; H331-W347 AromaticContact CG-CZ2 3.72Å; H331-W347 AromaticContact CG-NE1 3.72Å; H331-W347 AromaticContact ND1-CE2 3.49Å; H331-W347 AromaticContact ND1-CZ2 3.62Å; H331-W347 AromaticContact ND1-NE1 3.57Å; H331-W347 AromaticContact NE2-CE2 3.92Å; H331-W347 AromaticContact NE2-CH2 3.39Å; H331-W347 WeakPolarHBondContact NE2-CH2 3.48Å; H331-W347 AromaticContact NE2-CZ2 3.37Å; H331-W347 WeakPolarHBondContact NE2-CZ2 3.46Å; H331-W347 AromaticContact NE2-CZ3 3.97Å; C343-W347 HydrophobicContact CB-CB 4.21Å; C343-W347 WeakPolarHBondContact CB-O 3.49Å; S344-W347 PolarHBondContact O-N 3.47Å; S344-W347 VanDerWaalsContact O-O 3.09Å; W347-E364 VanDerWaalsContact CZ3-O 3.31Å; W347-E364 WeakPolarHBondContact CZ3-O 3.14Å; W347-W365 CarbonylContact C-O 3.52Å; W347-W365 WeakPolarHBondContact CA-O 3.33Å |
| 348 | M | 87.2 | Confident | 79.4 | Confident | 55 Ų | 55 | 88.1 Ų | 88.1 | 27% | 0.271 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 164.1 | -179.9 | 63.4 | -177.9 | -63.4 | 0 | 0 | 110.4 | L351 W365 I367 V370 | M348-L351 HydrophobicContact CE-CD1 4.36Å; M348-W365 HydrophobicContact CG-CB 3.8Å; M348-W365 PolarHBondContact N-O 2.94Å; M348-W365 PolarHBondContact O-N 3.46Å; M348-I367 HydrophobicContact CB-CD1 4.5Å; M348-I367 HydrophobicContact CB-CG1 3.93Å; M348-I367 HydrophobicContact CG-CG1 3.93Å; M348-I367 HydrophobicContact SD-CG1 3.97Å; M348-V370 HydrophobicContact SD-CB 4.15Å; M348-V370 HydrophobicContact SD-CG1 4.14Å; M348-V370 HydrophobicContact SD-CG2 4.08Å |
| 349 | E | 84.9 | Confident | 78.6 | Confident | 43 Ų | 43 | 87.1 Ų | 87.1 | 20% | 0.201 | 42% | 0.417 | C | S | . | . | trans | -66.4 | 144.7 | 178 | -61.9 | -177.3 | 166.9 | 0 | 0 | 112 | L351 R354 N362 | E349-L351 PolarHBondContact O-N 2.87Å; E349-L351 VanDerWaalsContact O-N 3.11Å; E349-R354 VanDerWaalsContact CD-NH1 3.28Å; E349-R354 IonicContact OE1-NH1 3.59Å; E349-R354 PolarHBondContact OE1-NH1 3.07Å; E349-R354 WeakPolarHBondContact OE2-CD 3.33Å; E349-R354 IonicContact OE2-CZ 2.64Å; E349-R354 IonicContact OE2-NE 2.72Å; E349-R354 IonicContact OE2-NH1 2.82Å; E349-R354 PolarHBondContact OE2-NH1 2.66Å; E349-N362 VanDerWaalsContact CA-O 3.25Å; E349-N362 WeakPolarHBondContact CA-O 3.42Å; E349-N362 WeakPolarHBondContact CG-O 3.31Å | ||
| 350 | N | 83.3 | Confident | 78.1 | Confident | 15 Ų | 15 | 89.5 Ų | 89.5 | 8% | 0.08 | 43% | 0.429 | C | S | . | . | trans | -76 | 99.2 | 172.3 | -174.9 | -21.3 | 0 | 0 | 0 | 109.2 | I352 Q353 R354 N362 E364 W365 | N350-I352 PolarHBondContact O-N 2.84Å; N350-I352 WeakPolarHBondContact OD1-CB 3.19Å; N350-I352 PolarHBondContact OD1-N 2.83Å; N350-I352 VanDerWaalsContact OD1-N 3.17Å; N350-Q353 HydrophobicContact CB-CB 4.09Å; N350-Q353 PolarHBondContact O-N 2.99Å; N350-Q353 PolarHBondContact OD1-N 3.47Å; N350-Q353 VanDerWaalsContact OD1-N 3.1Å; N350-R354 WeakPolarHBondContact O-CB 3.46Å; N350-R354 PolarHBondContact O-N 3.22Å; N350-N362 WeakPolarHBondContact CB-OD1 3.4Å; N350-N362 PolarHBondContact N-OD1 2.94Å; N350-E364 PolarHBondContact ND2-OE2 2.88Å; N350-W365 HydrophobicContact CB-CD2 4.33Å; N350-W365 HydrophobicContact CB-CG 4.24Å; N350-W365 VanDerWaalsContact CG-CE2 3.48Å; N350-W365 PolarHBondContact ND2-NE1 2.82Å; N350-W365 VanDerWaalsContact OD1-CE2 3.27Å; N350-W365 WeakPolarHBondContact OD1-CZ2 3.42Å; N350-W365 PolarHBondContact OD1-NE1 2.72Å | ||
| 351 | L | 78.4 | Confident | 77.6 | Confident | 102 Ų | 102 | 83.8 Ų | 83.8 | 53% | 0.534 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -61.6 | -30.9 | -178.7 | -72.8 | 162.4 | 0 | 0 | 0 | 112.7 | M348 E349 Y355 W365 | M348-L351 HydrophobicContact CE-CD1 4.36Å; E349-L351 PolarHBondContact O-N 2.87Å; E349-L351 VanDerWaalsContact O-N 3.11Å; L351-Y355 WeakPolarHBondContact O-CB 3.48Å; L351-Y355 PolarHBondContact O-N 2.84Å; L351-W365 HydrophobicContact CB-CZ3 4.3Å |
| 352 | I | 73 | Confident | 77.4 | Confident | 90 Ų | 90 | 84.2 Ų | 84.2 | 46% | 0.462 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -68.2 | -50.9 | 177.4 | -66.6 | 176.5 | 0 | 0 | 0 | 109.2 | N350 R354 Y355 I356 W365 | N350-I352 PolarHBondContact O-N 2.84Å; N350-I352 WeakPolarHBondContact OD1-CB 3.19Å; N350-I352 PolarHBondContact OD1-N 2.83Å; N350-I352 VanDerWaalsContact OD1-N 3.17Å; I352-R354 VanDerWaalsContact C-N 3.28Å; I352-R354 PolarHBondContact O-N 2.98Å; I352-Y355 PolarHBondContact O-N 2.74Å; I352-I356 HydrophobicContact CB-CD1 4.44Å; I352-I356 HydrophobicContact CG2-CB 4.49Å; I352-I356 HydrophobicContact CG2-CD1 3.91Å; I352-I356 WeakPolarHBondContact O-CA 3.38Å; I352-I356 VanDerWaalsContact O-CB 3.22Å; I352-I356 WeakPolarHBondContact O-CB 3.44Å; I352-I356 PolarHBondContact O-N 2.76Å; I352-W365 HydrophobicContact CB-CH2 4.46Å; I352-W365 HydrophobicContact CB-CZ2 4.21Å; I352-W365 HydrophobicContact CD1-CH2 3.79Å; I352-W365 HydrophobicContact CD1-CZ2 3.71Å; I352-W365 HydrophobicContact CG1-CH2 3.74Å; I352-W365 HydrophobicContact CG1-CZ2 3.86Å |
| 353 | Q | 69.4 | Low | 77.3 | Confident | 54 Ų | 54 | 80.3 Ų | 80.3 | 25% | 0.252 | 39% | 0.391 | S | S | . | . | I | π-helix | trans | -65.8 | -34.7 | -178.9 | -166.8 | 160.7 | 0.4 | 0 | 0 | 112.3 | N350 W357 D358 N362 E364 | N350-Q353 HydrophobicContact CB-CB 4.09Å; N350-Q353 PolarHBondContact O-N 2.99Å; N350-Q353 PolarHBondContact OD1-N 3.47Å; N350-Q353 VanDerWaalsContact OD1-N 3.1Å; Q353-W357 HydrophobicContact CG-CB 4.29Å; Q353-W357 PolarHBondContact O-N 2.87Å; Q353-D358 PolarHBondContact O-N 2.83Å; Q353-N362 PolarHBondContact OE1-ND2 3.13Å; Q353-E364 PolarHBondContact OE1-OE2 2.64Å |
| 354 | R | 69.3 | Low | 77.2 | Confident | 88 Ų | 88 | 83.4 Ų | 83.4 | 33% | 0.332 | 40% | 0.402 | S | S | . | . | I | π-helix | trans | -67.8 | -38.2 | 176.5 | -174.7 | 171.1 | 176.9 | 161.4 | 2.2 | 113.4 | E349 N350 I352 | E349-R354 VanDerWaalsContact CD-NH1 3.28Å; E349-R354 IonicContact OE1-NH1 3.59Å; E349-R354 PolarHBondContact OE1-NH1 3.07Å; E349-R354 WeakPolarHBondContact OE2-CD 3.33Å; E349-R354 IonicContact OE2-CZ 2.64Å; E349-R354 IonicContact OE2-NE 2.72Å; E349-R354 IonicContact OE2-NH1 2.82Å; E349-R354 PolarHBondContact OE2-NH1 2.66Å; N350-R354 WeakPolarHBondContact O-CB 3.46Å; N350-R354 PolarHBondContact O-N 3.22Å; I352-R354 VanDerWaalsContact C-N 3.28Å; I352-R354 PolarHBondContact O-N 2.98Å |
| 355 | Y | 66.6 | Low | 77.1 | Confident | 213 Ų | 213 | 84.1 Ų | 84.1 | 84% | 0.835 | 40% | 0.397 | S | S | * | . | I | π-helix | trans | -100.1 | -25.2 | -173.3 | -148.3 | -90.3 | 0 | 0 | 0 | 114 | L351 I352 | L351-Y355 WeakPolarHBondContact O-CB 3.48Å; L351-Y355 PolarHBondContact O-N 2.84Å; I352-Y355 PolarHBondContact O-N 2.74Å |
| 356 | I | 61.8 | Low | 77.2 | Confident | 121 Ų | 121 | 76 Ų | 76 | 62% | 0.621 | 36% | 0.362 | S | S | * | . | I | π-helix | trans | -110.1 | -26 | -170.9 | -63 | 163 | 0 | 0 | 0 | 112.3 | I352 | I352-I356 HydrophobicContact CB-CD1 4.44Å; I352-I356 HydrophobicContact CG2-CB 4.49Å; I352-I356 HydrophobicContact CG2-CD1 3.91Å; I352-I356 WeakPolarHBondContact O-CA 3.38Å; I352-I356 VanDerWaalsContact O-CB 3.22Å; I352-I356 WeakPolarHBondContact O-CB 3.44Å; I352-I356 PolarHBondContact O-N 2.76Å |
| 357 | W | 60.7 | Low | 77.2 | Confident | 197 Ų | 197 | 73.1 Ų | 73.1 | 75% | 0.746 | 35% | 0.346 | S | S | * | . | I | π-helix | trans | -118.6 | -96 | -167.9 | -138.4 | -69.3 | 0 | 0 | 0 | 114.1 | Q353 | Q353-W357 HydrophobicContact CG-CB 4.29Å; Q353-W357 PolarHBondContact O-N 2.87Å |
| 358 | D | 62.1 | Low | 77 | Confident | 75 Ų | 75 | 76.2 Ų | 76.2 | 40% | 0.401 | 36% | 0.362 | S | S | . | . | trans | -99.4 | -12.7 | -164.1 | -64.9 | -49.5 | 0 | 0 | 0 | 113.6 | Q353 E360 | Q353-D358 PolarHBondContact O-N 2.83Å; D358-E360 PolarHBondContact O-N 2.87Å | ||
| 359 | G | 65.4 | Low | 77 | Confident | 52 Ų | 52 | 81.8 Ų | 81.8 | 54% | 0.536 | 38% | 0.381 | S | S | . | . | trans | 69.2 | -3.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 360 | E | 72.8 | Confident | 77.2 | Confident | 85 Ų | 85 | 81.7 Ų | 81.7 | 40% | 0.397 | 38% | 0.383 | S | S | . | . | trans | -77.7 | 139.7 | 174.5 | -65.7 | -173 | 174.7 | 0 | 0 | 111.4 | D358 | D358-E360 PolarHBondContact O-N 2.87Š| ||
| 361 | S | 73.9 | Confident | 77.3 | Confident | 11 Ų | 11 | 83.8 Ų | 83.8 | 8% | 0.077 | 40% | 0.396 | C | S | . | . | trans | -76 | 133.2 | 175.8 | 59.1 | 0 | 0 | 0 | 0 | 111.1 | R340 C341 | R340-S361 VanDerWaalsContact CA-OG 3.29Å; R340-S361 WeakPolarHBondContact CA-OG 3.3Å; C341-S361 PolarHBondContact N-OG 3.23Å; C341-S361 PolarHBondContact SG-O 3.4Å; C341-S361 VanDerWaalsContact SG-O 3.33Å | ||
| 362 | N | 83 | Confident | 77.8 | Confident | 15 Ų | 15 | 82 Ų | 82 | 8% | 0.08 | 39% | 0.39 | C | S | . | . | trans | -134.7 | 175.2 | 176 | 64 | 7.4 | 0 | 0 | 0 | 110.7 | E349 N350 Q353 E364 | E349-N362 VanDerWaalsContact CA-O 3.25Å; E349-N362 WeakPolarHBondContact CA-O 3.42Å; E349-N362 WeakPolarHBondContact CG-O 3.31Å; N350-N362 WeakPolarHBondContact CB-OD1 3.4Å; N350-N362 PolarHBondContact N-OD1 2.94Å; Q353-N362 PolarHBondContact OE1-ND2 3.13Å; N362-E364 HydrophobicContact CB-CG 4.36Å; N362-E364 PolarHBondContact ND2-OE2 2.89Å | ||
| 363 | C | 86.4 | Confident | 78.6 | Confident | 0 Ų | 0 | 82.9 Ų | 82.9 | 0% | 0 | 40% | 0.395 | C | S | . | . | trans | -131.4 | 48.4 | 178.7 | -63.3 | 0 | 0 | 0 | 0 | 111.1 | C328 H331 C343 | C328-C363 WeakPolarHBondContact O-CB 3.34Å; H331-C363 HydrophobicContact CB-CB 4.39Å; C343-C363 WeakPolarHBondContact CA-SG 3.46Å; C343-C363 HydrophobicContact CB-CB 3.74Å; C343-C363 WeakPolarHBondContact CB-SG 3.48Å; C343-C363 VanDerWaalsContact SG-CA 3.51Å; C343-C363 WeakPolarHBondContact SG-CB 3.04Å; C343-C363 CovalentContact SG-SG 2.04Å; C343-C363 PolarHBondContact SG-SG 2.93Å | ||
| 364 | E | 87.9 | Confident | 79.5 | Confident | 95 Ų | 95 | 82.3 Ų | 82.3 | 44% | 0.444 | 40% | 0.4 | S | S | . | . | trans | -84.1 | -25.1 | -174.3 | -68.3 | -173.7 | 156.6 | 0 | 0 | 114 | S329 W347 N350 Q353 N362 | S329-E364 WeakPolarHBondContact OG-CG 3.47Å; W347-E364 VanDerWaalsContact CZ3-O 3.31Å; W347-E364 WeakPolarHBondContact CZ3-O 3.14Å; N350-E364 PolarHBondContact ND2-OE2 2.88Å; Q353-E364 PolarHBondContact OE1-OE2 2.64Å; N362-E364 HydrophobicContact CB-CG 4.36Å; N362-E364 PolarHBondContact ND2-OE2 2.89Å | ||
| 365 | W | 86.8 | Confident | 80.6 | Confident | 68 Ų | 68 | 84.8 Ų | 84.8 | 26% | 0.258 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 126.8 | -172.4 | -77.1 | 13.7 | 0 | 0 | 0 | 110.3 | W347 M348 N350 L351 I352 V370 | W347-W365 CarbonylContact C-O 3.52Å; W347-W365 WeakPolarHBondContact CA-O 3.33Å; M348-W365 HydrophobicContact CG-CB 3.8Å; M348-W365 PolarHBondContact N-O 2.94Å; M348-W365 PolarHBondContact O-N 3.46Å; N350-W365 HydrophobicContact CB-CD2 4.33Å; N350-W365 HydrophobicContact CB-CG 4.24Å; N350-W365 VanDerWaalsContact CG-CE2 3.48Å; N350-W365 PolarHBondContact ND2-NE1 2.82Å; N350-W365 VanDerWaalsContact OD1-CE2 3.27Å; N350-W365 WeakPolarHBondContact OD1-CZ2 3.42Å; N350-W365 PolarHBondContact OD1-NE1 2.72Å; L351-W365 HydrophobicContact CB-CZ3 4.3Å; I352-W365 HydrophobicContact CB-CH2 4.46Å; I352-W365 HydrophobicContact CB-CZ2 4.21Å; I352-W365 HydrophobicContact CD1-CH2 3.79Å; I352-W365 HydrophobicContact CD1-CZ2 3.71Å; I352-W365 HydrophobicContact CG1-CH2 3.74Å; I352-W365 HydrophobicContact CG1-CZ2 3.86Å; W365-V370 HydrophobicContact CB-CG2 3.91Å; W365-V370 HydrophobicContact CD2-CG2 4.01Å; W365-V370 HydrophobicContact CE3-CG2 3.62Å; W365-V370 HydrophobicContact CG-CG2 4.19Å; W365-V370 HydrophobicContact CZ3-CG2 4.4Å |
| 366 | S | 88.7 | Confident | 81.7 | Confident | 19 Ų | 19 | 77.8 Ų | 77.8 | 13% | 0.133 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 130.9 | 168.2 | 172.1 | 0 | 0 | 0 | 0 | 109.5 | F368 Y369 V370 | S366-F368 PolarHBondContact O-N 2.88Å; S366-F368 PolarHBondContact OG-N 2.91Å; S366-Y369 PolarHBondContact O-N 3.16Å; S366-Y369 VanDerWaalsContact O-N 3.14Å; S366-V370 WeakPolarHBondContact O-CG2 3.27Å; S366-V370 PolarHBondContact O-N 2.89Å |
| 367 | I | 88.4 | Confident | 83 | Confident | 63 Ų | 63 | 76.5 Ų | 76.5 | 32% | 0.323 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -56.8 | -35.5 | 178.4 | -63.8 | 171.4 | 0 | 0 | 0 | 110.6 | H345 L346 M348 T371 | H345-I367 WeakPolarHBondContact O-CD1 3.46Å; L346-I367 PolarHBondContact O-N 3.03Å; M348-I367 HydrophobicContact CB-CD1 4.5Å; M348-I367 HydrophobicContact CB-CG1 3.93Å; M348-I367 HydrophobicContact CG-CG1 3.93Å; M348-I367 HydrophobicContact SD-CG1 3.97Å; I367-T371 HydrophobicContact CG2-CG2 4.19Å; I367-T371 WeakPolarHBondContact O-CB 3.39Å; I367-T371 WeakPolarHBondContact O-CG2 3.18Å; I367-T371 PolarHBondContact O-N 2.76Å; I367-T371 PolarHBondContact O-OG1 2.94Å |
| 368 | F | 87.4 | Confident | 84.5 | Confident | 139 Ų | 139 | 72.3 Ų | 72.3 | 61% | 0.61 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -63.9 | -48 | 177.9 | -173.6 | -97.3 | 0 | 0 | 0 | 112.4 | S366 V370 T371 V372 | S366-F368 PolarHBondContact O-N 2.88Å; S366-F368 PolarHBondContact OG-N 2.91Å; F368-V370 PolarHBondContact O-N 3.05Å; F368-T371 WeakPolarHBondContact CA-OG1 3.28Å; F368-T371 PolarHBondContact O-N 2.77Å; F368-T371 PolarHBondContact O-OG1 2.84Å; F368-V372 HydrophobicContact CD1-CG2 4.27Å; F368-V372 HydrophobicContact CE1-CG2 3.93Å; F368-V372 HydrophobicContact CE2-CG2 4.45Å; F368-V372 HydrophobicContact CZ-CG2 4.03Å; F368-V372 WeakPolarHBondContact O-CB 3.44Å; F368-V372 VanDerWaalsContact O-CG2 3.27Å; F368-V372 WeakPolarHBondContact O-CG2 2.87Å; F368-V372 PolarHBondContact O-N 2.64Å |
| 369 | Y | 87.1 | Confident | 85.9 | Confident | 172 Ų | 172 | 73.8 Ų | 73.8 | 68% | 0.675 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -67.9 | -38.5 | 179.2 | -70.4 | -59 | 0 | 0 | 0 | 112.1 | S366 V372 L373 | S366-Y369 PolarHBondContact O-N 3.16Å; S366-Y369 VanDerWaalsContact O-N 3.14Å; Y369-V372 PolarHBondContact O-N 2.82Å; Y369-L373 VanDerWaalsContact O-CB 3.29Å; Y369-L373 WeakPolarHBondContact O-CB 3.24Å; Y369-L373 PolarHBondContact O-N 2.84Å |
| 370 | V | 87.6 | Confident | 87 | Confident | 41 Ų | 41 | 76.9 Ų | 76.9 | 25% | 0.248 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -64.9 | -43.1 | 177.5 | 177.2 | 0 | 0 | 0 | 0 | 111 | M348 W365 S366 F368 L373 A374 | M348-V370 HydrophobicContact SD-CB 4.15Å; M348-V370 HydrophobicContact SD-CG1 4.14Å; M348-V370 HydrophobicContact SD-CG2 4.08Å; W365-V370 HydrophobicContact CB-CG2 3.91Å; W365-V370 HydrophobicContact CD2-CG2 4.01Å; W365-V370 HydrophobicContact CE3-CG2 3.62Å; W365-V370 HydrophobicContact CG-CG2 4.19Å; W365-V370 HydrophobicContact CZ3-CG2 4.4Å; S366-V370 WeakPolarHBondContact O-CG2 3.27Å; S366-V370 PolarHBondContact O-N 2.89Å; F368-V370 PolarHBondContact O-N 3.05Å; V370-L373 PolarHBondContact O-N 2.9Å; V370-A374 WeakPolarHBondContact O-CB 3.29Å; V370-A374 PolarHBondContact O-N 2.85Å |
| 371 | T | 86.2 | Confident | 87.7 | Confident | 59 Ų | 59 | 76.8 Ų | 76.8 | 36% | 0.362 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -65.5 | -45.3 | 177.1 | 50.4 | 0 | 0 | 0 | 0 | 111.7 | I367 F368 L373 A374 F375 | I367-T371 HydrophobicContact CG2-CG2 4.19Å; I367-T371 WeakPolarHBondContact O-CB 3.39Å; I367-T371 WeakPolarHBondContact O-CG2 3.18Å; I367-T371 PolarHBondContact O-N 2.76Å; I367-T371 PolarHBondContact O-OG1 2.94Å; F368-T371 WeakPolarHBondContact CA-OG1 3.28Å; F368-T371 PolarHBondContact O-N 2.77Å; F368-T371 PolarHBondContact O-OG1 2.84Å; T371-L373 PolarHBondContact O-N 2.79Å; T371-A374 PolarHBondContact O-N 3.03Å; T371-F375 WeakPolarHBondContact O-CD2 3.39Å; T371-F375 PolarHBondContact O-N 3.08Å |
| 372 | V | 90.1 | Very high | 88.5 | Confident | 65 Ų | 65 | 77.9 Ų | 77.9 | 39% | 0.394 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -59.3 | -46.7 | 175.4 | 171.9 | 0 | 0 | 0 | 0 | 111 | F368 Y369 A374 F375 T376 | F368-V372 HydrophobicContact CD1-CG2 4.27Å; F368-V372 HydrophobicContact CE1-CG2 3.93Å; F368-V372 HydrophobicContact CE2-CG2 4.45Å; F368-V372 HydrophobicContact CZ-CG2 4.03Å; F368-V372 WeakPolarHBondContact O-CB 3.44Å; F368-V372 VanDerWaalsContact O-CG2 3.27Å; F368-V372 WeakPolarHBondContact O-CG2 2.87Å; F368-V372 PolarHBondContact O-N 2.64Å; Y369-V372 PolarHBondContact O-N 2.82Å; V372-A374 PolarHBondContact O-N 3.3Å; V372-F375 PolarHBondContact O-N 2.77Å; V372-T376 HydrophobicContact CG1-CG2 4.41Å; V372-T376 VanDerWaalsContact O-CG2 3.31Å; V372-T376 WeakPolarHBondContact O-CG2 3.42Å; V372-T376 PolarHBondContact O-N 2.95Å; V372-T376 PolarHBondContact O-OG1 3.47Å |
| 373 | L | 89 | Confident | 88.7 | Confident | 108 Ų | 108 | 78.9 Ų | 78.9 | 57% | 0.565 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -59.8 | -46.8 | 177.3 | -168.7 | 95.2 | 0 | 0 | 0 | 111.2 | Y369 V370 T371 F375 T376 L377 | Y369-L373 VanDerWaalsContact O-CB 3.29Å; Y369-L373 WeakPolarHBondContact O-CB 3.24Å; Y369-L373 PolarHBondContact O-N 2.84Å; V370-L373 PolarHBondContact O-N 2.9Å; T371-L373 PolarHBondContact O-N 2.79Å; L373-F375 PolarHBondContact O-N 3.44Å; L373-T376 WeakPolarHBondContact CA-OG1 3.43Å; L373-T376 PolarHBondContact O-N 2.98Å; L373-T376 PolarHBondContact O-OG1 2.61Å; L373-L377 HydrophobicContact CD2-CD1 4.23Å; L373-L377 HydrophobicContact CG-CD1 4.29Å; L373-L377 WeakPolarHBondContact O-CG 3.43Å; L373-L377 PolarHBondContact O-N 2.87Å |
| 374 | A | 88.9 | Confident | 88.7 | Confident | 43 Ų | 43 | 85.6 Ų | 85.6 | 36% | 0.355 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -60 | -45.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | V370 T371 V372 T376 L377 I378 | V370-A374 WeakPolarHBondContact O-CB 3.29Å; V370-A374 PolarHBondContact O-N 2.85Å; T371-A374 PolarHBondContact O-N 3.03Å; V372-A374 PolarHBondContact O-N 3.3Å; A374-T376 PolarHBondContact O-N 2.77Å; A374-L377 PolarHBondContact O-N 3.26Å; A374-I378 VanDerWaalsContact O-CG1 3.25Å; A374-I378 WeakPolarHBondContact O-CG1 3.48Å; A374-I378 PolarHBondContact O-N 3.49Å |
| 375 | F | 91.1 | Very high | 88.6 | Confident | 140 Ų | 140 | 84.8 Ų | 84.8 | 61% | 0.614 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -61.7 | -43.5 | 175.4 | -83.6 | -68.6 | 0 | 0 | 0 | 112.2 | T371 V372 L373 L377 I378 V379 | T371-F375 WeakPolarHBondContact O-CD2 3.39Å; T371-F375 PolarHBondContact O-N 3.08Å; V372-F375 PolarHBondContact O-N 2.77Å; L373-F375 PolarHBondContact O-N 3.44Å; F375-L377 VanDerWaalsContact C-N 3.35Å; F375-L377 PolarHBondContact O-N 2.99Å; F375-I378 PolarHBondContact O-N 3.13Å; F375-V379 WeakPolarHBondContact O-CG2 3.44Å; F375-V379 PolarHBondContact O-N 3.06Å |
| 376 | T | 89.4 | Confident | 88.5 | Confident | 66 Ų | 66 | 90.2 Ų | 90.2 | 41% | 0.405 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63.5 | -39.8 | 177.2 | 60.7 | 0 | 0 | 0 | 0 | 112.2 | V372 L373 A374 V379 L380 | V372-T376 HydrophobicContact CG1-CG2 4.41Å; V372-T376 VanDerWaalsContact O-CG2 3.31Å; V372-T376 WeakPolarHBondContact O-CG2 3.42Å; V372-T376 PolarHBondContact O-N 2.95Å; V372-T376 PolarHBondContact O-OG1 3.47Å; L373-T376 WeakPolarHBondContact CA-OG1 3.43Å; L373-T376 PolarHBondContact O-N 2.98Å; L373-T376 PolarHBondContact O-OG1 2.61Å; A374-T376 PolarHBondContact O-N 2.77Å; T376-V379 PolarHBondContact O-N 2.91Å; T376-L380 WeakPolarHBondContact O-CB 3.13Å; T376-L380 VanDerWaalsContact O-CG 3.25Å; T376-L380 WeakPolarHBondContact O-CG 3.41Å; T376-L380 PolarHBondContact O-N 2.8Å |
| 377 | L | 90 | Very high | 88.2 | Confident | 93 Ų | 93 | 94.6 Ų | 94.6 | 49% | 0.487 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66 | -39.1 | 175.5 | -74 | 172.6 | 0 | 0 | 0 | 112 | L373 A374 F375 L380 T381 | L373-L377 HydrophobicContact CD2-CD1 4.23Å; L373-L377 HydrophobicContact CG-CD1 4.29Å; L373-L377 WeakPolarHBondContact O-CG 3.43Å; L373-L377 PolarHBondContact O-N 2.87Å; A374-L377 PolarHBondContact O-N 3.26Å; F375-L377 VanDerWaalsContact C-N 3.35Å; F375-L377 PolarHBondContact O-N 2.99Å; L377-L380 PolarHBondContact O-N 3.16Å; L377-T381 WeakPolarHBondContact O-CB 3.14Å; L377-T381 VanDerWaalsContact O-CG2 3.26Å; L377-T381 WeakPolarHBondContact O-CG2 3.47Å; L377-T381 PolarHBondContact O-N 3.14Å; L377-T381 PolarHBondContact O-OG1 3.22Å |
| 378 | I | 91.6 | Very high | 87.8 | Confident | 109 Ų | 109 | 94.3 Ų | 94.3 | 56% | 0.559 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -64.3 | -42.7 | 174.7 | -68 | 164.2 | 0 | 0 | 0 | 110.7 | A374 F375 T381 G382 | A374-I378 VanDerWaalsContact O-CG1 3.25Å; A374-I378 WeakPolarHBondContact O-CG1 3.48Å; A374-I378 PolarHBondContact O-N 3.49Å; F375-I378 PolarHBondContact O-N 3.13Å; I378-T381 WeakPolarHBondContact CA-OG1 3.27Å; I378-T381 PolarHBondContact O-OG1 3.03Å; I378-T381 VanDerWaalsContact O-OG1 3.09Å; I378-G382 PolarHBondContact O-N 2.77Å |
| 379 | V | 91.7 | Very high | 87.6 | Confident | 106 Ų | 106 | 92.1 Ų | 92.1 | 64% | 0.642 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -67.2 | -40.4 | 177.1 | 173.1 | 0 | 0 | 0 | 0 | 111.4 | F375 T376 G383 | F375-V379 WeakPolarHBondContact O-CG2 3.44Å; F375-V379 PolarHBondContact O-N 3.06Å; T376-V379 PolarHBondContact O-N 2.91Å; V379-G383 WeakPolarHBondContact O-CA 3.46Å; V379-G383 PolarHBondContact O-N 3.03Å |
| 380 | L | 89.4 | Confident | 87.1 | Confident | 117 Ų | 117 | 86.6 Ų | 86.6 | 61% | 0.613 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -67.9 | -42.4 | 177.4 | -74.6 | 171.3 | 0 | 0 | 0 | 112.1 | T376 L377 G383 F384 | T376-L380 WeakPolarHBondContact O-CB 3.13Å; T376-L380 VanDerWaalsContact O-CG 3.25Å; T376-L380 WeakPolarHBondContact O-CG 3.41Å; T376-L380 PolarHBondContact O-N 2.8Å; L377-L380 PolarHBondContact O-N 3.16Å; L380-G383 PolarHBondContact O-N 2.83Å; L380-F384 VanDerWaalsContact O-CB 3.23Å; L380-F384 WeakPolarHBondContact O-CB 3.39Å; L380-F384 PolarHBondContact O-N 2.74Å |
| 381 | T | 87.8 | Confident | 86.6 | Confident | 83 Ų | 83 | 87.9 Ų | 87.9 | 51% | 0.509 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -70.5 | -40.5 | 176.7 | 52.2 | 0 | 0 | 0 | 0 | 111.7 | L377 I378 F384 T385 | L377-T381 WeakPolarHBondContact O-CB 3.14Å; L377-T381 VanDerWaalsContact O-CG2 3.26Å; L377-T381 WeakPolarHBondContact O-CG2 3.47Å; L377-T381 PolarHBondContact O-N 3.14Å; L377-T381 PolarHBondContact O-OG1 3.22Å; I378-T381 WeakPolarHBondContact CA-OG1 3.27Å; I378-T381 PolarHBondContact O-OG1 3.03Å; I378-T381 VanDerWaalsContact O-OG1 3.09Å; T381-F384 PolarHBondContact O-N 3.32Å; T381-T385 WeakPolarHBondContact O-CB 3.34Å; T381-T385 VanDerWaalsContact O-CG2 3.24Å; T381-T385 WeakPolarHBondContact O-CG2 3.45Å; T381-T385 PolarHBondContact O-N 2.97Å; T381-T385 PolarHBondContact O-OG1 3Å |
| 382 | G | 89.4 | Confident | 85.9 | Confident | 35 Ų | 35 | 88.7 Ų | 88.7 | 36% | 0.361 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.9 | -42.9 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | I378 T385 W386 | I378-G382 PolarHBondContact O-N 2.77Å; G382-T385 WeakPolarHBondContact CA-OG1 3.19Å; G382-T385 PolarHBondContact O-OG1 2.73Å; G382-W386 WeakPolarHBondContact O-CB 3.48Å; G382-W386 PolarHBondContact O-N 3.35Å |
| 383 | G | 88.4 | Confident | 84.9 | Confident | 35 Ų | 35 | 92.4 Ų | 92.4 | 36% | 0.361 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.3 | -43.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | V379 L380 W386 L387 | V379-G383 WeakPolarHBondContact O-CA 3.46Å; V379-G383 PolarHBondContact O-N 3.03Å; L380-G383 PolarHBondContact O-N 2.83Å; G383-W386 PolarHBondContact O-N 3.42Å; G383-L387 WeakPolarHBondContact O-CB 3.24Å; G383-L387 PolarHBondContact O-N 2.91Å |
| 384 | F | 85.3 | Confident | 83.5 | Confident | 142 Ų | 142 | 97 Ų | 97 | 62% | 0.623 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -67.7 | -45 | 178.3 | -168.6 | -96.4 | 0 | 0 | 0 | 111.7 | L380 T381 W386 L387 C388 | L380-F384 VanDerWaalsContact O-CB 3.23Å; L380-F384 WeakPolarHBondContact O-CB 3.39Å; L380-F384 PolarHBondContact O-N 2.74Å; T381-F384 PolarHBondContact O-N 3.32Å; F384-W386 VanDerWaalsContact C-N 3.33Å; F384-W386 PolarHBondContact O-N 3.13Å; F384-L387 PolarHBondContact O-N 3.32Å; F384-C388 VanDerWaalsContact CE1-SG 3.53Å; F384-C388 WeakPolarHBondContact O-CB 3.24Å; F384-C388 PolarHBondContact O-N 3.44Å; F384-C388 PolarHBondContact O-SG 3.18Å |
| 385 | T | 86.1 | Confident | 81.9 | Confident | 77 Ų | 77 | 101.9 Ų | 101.9 | 47% | 0.472 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62 | -41.8 | 174.4 | 51.5 | 0 | 0 | 0 | 0 | 111.3 | T381 G382 C388 I389 | T381-T385 WeakPolarHBondContact O-CB 3.34Å; T381-T385 VanDerWaalsContact O-CG2 3.24Å; T381-T385 WeakPolarHBondContact O-CG2 3.45Å; T381-T385 PolarHBondContact O-N 2.97Å; T381-T385 PolarHBondContact O-OG1 3Å; G382-T385 WeakPolarHBondContact CA-OG1 3.19Å; G382-T385 PolarHBondContact O-OG1 2.73Å; T385-C388 PolarHBondContact O-N 3.04Å; T385-I389 WeakPolarHBondContact O-CB 3.38Å; T385-I389 WeakPolarHBondContact O-CD1 3.23Å; T385-I389 WeakPolarHBondContact O-CG1 3.42Å; T385-I389 PolarHBondContact O-N 3Å |
| 386 | W | 85.4 | Confident | 80.1 | Confident | 182 Ų | 182 | 103.2 Ų | 103.2 | 69% | 0.689 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -60.7 | -45.2 | 172.4 | -172.2 | -87.8 | 0 | 0 | 0 | 112.2 | G382 G383 F384 C388 I389 C390 | G382-W386 WeakPolarHBondContact O-CB 3.48Å; G382-W386 PolarHBondContact O-N 3.35Å; G383-W386 PolarHBondContact O-N 3.42Å; F384-W386 VanDerWaalsContact C-N 3.33Å; F384-W386 PolarHBondContact O-N 3.13Å; W386-C388 PolarHBondContact O-N 3.14Å; W386-I389 PolarHBondContact O-N 2.87Å; W386-C390 WeakPolarHBondContact O-CB 3.44Å; W386-C390 PolarHBondContact O-N 3.49Å; W386-C390 PolarHBondContact O-SG 2.8Å |
| 387 | L | 82.1 | Confident | 78.3 | Confident | 112 Ų | 112 | 110.5 Ų | 110.5 | 59% | 0.586 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -62.3 | -44.1 | 177.5 | -135.6 | 109.6 | 0 | 0 | 0 | 111.3 | G383 F384 C390 C391 | G383-L387 WeakPolarHBondContact O-CB 3.24Å; G383-L387 PolarHBondContact O-N 2.91Å; F384-L387 PolarHBondContact O-N 3.32Å; L387-C390 PolarHBondContact O-N 3.45Å; L387-C391 WeakPolarHBondContact O-CB 3.48Å; L387-C391 PolarHBondContact O-N 2.82Å; L387-C391 PolarHBondContact O-SG 3Å |
| 388 | C | 80.6 | Confident | 76.3 | Confident | 56 Ų | 56 | 111.8 Ų | 111.8 | 38% | 0.378 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -60.1 | -45.6 | 174.6 | -71.8 | 0 | 0 | 0 | 0 | 111.4 | F384 T385 W386 C390 C391 C392 | F384-C388 VanDerWaalsContact CE1-SG 3.53Å; F384-C388 WeakPolarHBondContact O-CB 3.24Å; F384-C388 PolarHBondContact O-N 3.44Å; F384-C388 PolarHBondContact O-SG 3.18Å; T385-C388 PolarHBondContact O-N 3.04Å; W386-C388 PolarHBondContact O-N 3.14Å; C388-C390 PolarHBondContact O-N 3.26Å; C388-C391 PolarHBondContact O-N 2.89Å; C388-C392 WeakPolarHBondContact O-CB 3.41Å; C388-C392 PolarHBondContact O-N 3.45Å; C388-C392 PolarHBondContact O-SG 3.03Å |
| 389 | I | 82.3 | Confident | 74.1 | Confident | 93 Ų | 93 | 115.8 Ų | 115.8 | 48% | 0.477 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -63.1 | -42.8 | 176.5 | -68.8 | 164.1 | 0 | 0 | 0 | 111 | T385 W386 C392 K393 | T385-I389 WeakPolarHBondContact O-CB 3.38Å; T385-I389 WeakPolarHBondContact O-CD1 3.23Å; T385-I389 WeakPolarHBondContact O-CG1 3.42Å; T385-I389 PolarHBondContact O-N 3Å; W386-I389 PolarHBondContact O-N 2.87Å; I389-C392 PolarHBondContact O-N 3.05Å; I389-K393 WeakPolarHBondContact O-CB 3.33Å; I389-K393 WeakPolarHBondContact O-CG 3.26Å; I389-K393 PolarHBondContact O-N 2.85Å |
| 390 | C | 77.6 | Confident | 72.1 | Confident | 56 Ų | 56 | 117.7 Ų | 117.7 | 38% | 0.378 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -64.9 | -40.7 | 176.7 | -78.7 | 0 | 0 | 0 | 0 | 112.5 | W386 L387 C388 K393 R394 | W386-C390 WeakPolarHBondContact O-CB 3.44Å; W386-C390 PolarHBondContact O-N 3.49Å; W386-C390 PolarHBondContact O-SG 2.8Å; L387-C390 PolarHBondContact O-N 3.45Å; C388-C390 PolarHBondContact O-N 3.26Å; C390-K393 PolarHBondContact O-N 2.8Å; C390-R394 WeakPolarHBondContact O-CB 3.27Å; C390-R394 PolarHBondContact O-N 3.06Å |
| 391 | C | 75.9 | Confident | 70.1 | Confident | 68 Ų | 68 | 123.6 Ų | 123.6 | 46% | 0.459 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -65.1 | -43 | 175.1 | -74.5 | 0 | 0 | 0 | 0 | 111.7 | L387 C388 K393 R394 Q395 | L387-C391 WeakPolarHBondContact O-CB 3.48Å; L387-C391 PolarHBondContact O-N 2.82Å; L387-C391 PolarHBondContact O-SG 3Å; C388-C391 PolarHBondContact O-N 2.89Å; C391-K393 VanDerWaalsContact C-N 3.34Å; C391-K393 PolarHBondContact O-N 2.81Å; C391-R394 PolarHBondContact O-N 2.9Å; C391-Q395 PolarHBondContact O-N 2.91Å |
| 392 | C | 72.7 | Confident | 67.8 | Low | 76 Ų | 76 | 129.1 Ų | 129.1 | 51% | 0.514 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -63.9 | -35.8 | 173.8 | -69.9 | 0 | 0 | 0 | 0 | 112.5 | C388 I389 K396 | C388-C392 WeakPolarHBondContact O-CB 3.41Å; C388-C392 PolarHBondContact O-N 3.45Å; C388-C392 PolarHBondContact O-SG 3.03Å; I389-C392 PolarHBondContact O-N 3.05Å; C392-K396 PolarHBondContact O-N 3.41Å |
| 393 | K | 67.8 | Low | 65.4 | Low | 144 Ų | 144 | 137.4 Ų | 137.4 | 63% | 0.626 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -73.5 | -33.2 | 173.3 | -76.7 | -170.8 | 177.6 | -178.7 | 0 | 113 | I389 C390 C391 K396 R397 | I389-K393 WeakPolarHBondContact O-CB 3.33Å; I389-K393 WeakPolarHBondContact O-CG 3.26Å; I389-K393 PolarHBondContact O-N 2.85Å; C390-K393 PolarHBondContact O-N 2.8Å; C391-K393 VanDerWaalsContact C-N 3.34Å; C391-K393 PolarHBondContact O-N 2.81Å; K393-K396 PolarHBondContact O-N 2.84Å; K393-R397 PolarHBondContact O-N 3.01Å |
| 394 | R | 59.6 | Low | 63.3 | Low | 205 Ų | 205 | 142.4 Ų | 142.4 | 77% | 0.774 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -68.2 | -40.3 | 174.4 | -101.1 | -176.9 | 171 | 176.3 | -1.9 | 112.2 | C390 C391 K396 R397 | C390-R394 WeakPolarHBondContact O-CB 3.27Å; C390-R394 PolarHBondContact O-N 3.06Å; C391-R394 PolarHBondContact O-N 2.9Å; R394-K396 VanDerWaalsContact C-N 3.31Å; R394-K396 PolarHBondContact O-N 2.96Å; R394-R397 PolarHBondContact O-N 2.87Å |
| 395 | Q | 56.6 | Low | 60.6 | Low | 145 Ų | 145 | 145.2 Ų | 145.2 | 68% | 0.678 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -65 | -30.9 | 174.8 | -84.8 | -177.7 | -19.5 | 0 | 0 | 113.5 | C391 T398 | C391-Q395 PolarHBondContact O-N 2.91Å; Q395-T398 PolarHBondContact O-OG1 3.12Å |
| 396 | K | 52.5 | Low | 58.2 | Low | 168 Ų | 168 | 151.3 Ų | 151.3 | 73% | 0.73 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -72 | -25.4 | 174.2 | -74.9 | -174.6 | 178.4 | -175.5 | 0 | 113.5 | C392 K393 R394 | C392-K396 PolarHBondContact O-N 3.41Å; K393-K396 PolarHBondContact O-N 2.84Å; R394-K396 VanDerWaalsContact C-N 3.31Å; R394-K396 PolarHBondContact O-N 2.96Å |
| 397 | R | 51.6 | Low | 55.6 | Low | 219 Ų | 219 | 148.3 Ų | 148.3 | 83% | 0.826 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -81.5 | -19.7 | 179.6 | -79.7 | -174.8 | 175.8 | 177.7 | -0.7 | 114.4 | K393 R394 | K393-R397 PolarHBondContact O-N 3.01Å; R394-R397 PolarHBondContact O-N 2.87Å |
| 398 | T | 48.3 | Very low | 53.5 | Low | 119 Ų | 119 | 150 Ų | 150 | 73% | 0.73 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -88.2 | -9.7 | -177.4 | 45.9 | 0 | 0 | 0 | 0 | 114.9 | Q395 | Q395-T398 PolarHBondContact O-OG1 3.12Š|
| 399 | K | 46.1 | Very low | 51.7 | Low | 194 Ų | 194 | 154.3 Ų | 154.3 | 84% | 0.843 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -92.4 | -10.2 | 178.2 | -84.6 | -173 | 175.6 | -178 | 0 | 115.7 | ||
| 400 | I | 49.6 | Very low | 49.4 | Very low | 146 Ų | 146 | 155.8 Ų | 155.8 | 75% | 0.749 | 74% | 0.735 | S | S | * | * | trans | -109 | 76 | -174.9 | -54.3 | 174.3 | 0 | 0 | 0 | 110 | ||||
| 401 | R | 46.6 | Very low | 47.3 | Very low | 240 Ų | 240 | 158.9 Ų | 158.9 | 91% | 0.906 | 75% | 0.748 | S | S | * | * | trans | -160.3 | 89.4 | 160.3 | -128.7 | 177.3 | -178.1 | 177.7 | 0.4 | 111.5 | ||||
| 402 | K | 39.8 | Very low | 45.2 | Very low | 200 Ų | 200 | 162.4 Ų | 162.4 | 87% | 0.87 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -168.2 | 110.3 | 141.9 | -106.3 | 169 | -172.7 | -178.1 | 0 | 113.2 | ||
| 403 | K | 38.5 | Very low | 43.4 | Very low | 208 Ų | 208 | 164.9 Ų | 164.9 | 90% | 0.904 | 77% | 0.768 | S | S | * | * | trans | 65.4 | 116.3 | 144.6 | -66.5 | -173 | 175.2 | -176.2 | 0 | 121.8 | ||||
| 404 | T | 44.6 | Very low | 41.8 | Very low | 141 Ų | 141 | 164.9 Ų | 164.9 | 87% | 0.865 | 77% | 0.77 | S | S | * | * | trans | -77.4 | 142.6 | 164.8 | 44.9 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 405 | K | 29.1 | Very low | 40.7 | Very low | 200 Ų | 200 | 161.6 Ų | 161.6 | 87% | 0.87 | 76% | 0.764 | S | S | * | * | trans | -161.8 | 155.4 | 140.4 | -138.2 | 170.4 | -178.7 | -173.3 | 0 | 111.2 | ||||
| 406 | Y | 34.8 | Very low | 39.5 | Very low | 206 Ų | 206 | 163 Ų | 163 | 81% | 0.808 | 77% | 0.77 | S | S | * | * | trans | -72.9 | 171.1 | -146.3 | -68.5 | -99.4 | 0 | 0 | 0 | 120.6 | ||||
| 407 | T | 31.9 | Very low | 38.5 | Very low | 119 Ų | 119 | 165.2 Ų | 165.2 | 73% | 0.73 | 77% | 0.774 | S | S | * | * | trans | 104.6 | 115.9 | 136.7 | 39.2 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 408 | I | 38.2 | Very low | 37.5 | Very low | 148 Ų | 148 | 161.4 Ų | 161.4 | 76% | 0.759 | 77% | 0.767 | S | S | * | * | trans | 95.2 | 134.4 | 132.7 | -65.9 | 164.1 | 0 | 0 | 0 | 119 | ||||
| 409 | L | 41.6 | Very low | 36.8 | Very low | 145 Ų | 145 | 162.9 Ų | 162.9 | 76% | 0.759 | 77% | 0.765 | S | S | * | * | trans | -19 | 146.4 | 170.8 | -73.7 | 88.6 | 0 | 0 | 0 | 115.5 | ||||
| 410 | D | 33.7 | Very low | 36.2 | Very low | 124 Ų | 124 | 160.6 Ų | 160.6 | 66% | 0.663 | 76% | 0.762 | S | S | * | * | cis | -170.4 | 167.2 | 48.9 | -145.3 | -4.1 | 0 | 0 | 0 | 111.7 | ||||
| 411 | N | 33 | Very low | 35.3 | Very low | 121 Ų | 121 | 165.2 Ų | 165.2 | 65% | 0.647 | 77% | 0.77 | S | S | * | * | trans | 76.1 | 115.9 | 150.8 | -78.7 | -26.3 | 0 | 0 | 0 | 123 | ||||
| 412 | M | 33 | Very low | 34.9 | Very low | 143 Ų | 143 | 159.2 Ų | 159.2 | 70% | 0.704 | 76% | 0.762 | S | S | * | * | 74 | 123.1 | 124.5 | -74.2 | -175.4 | 67.5 | 0 | 0 | 120.9 | |||||
| 413 | D | 34.9 | Very low | 34.5 | Very low | 128 Ų | 128 | 157.8 Ų | 157.8 | 68% | 0.684 | 76% | 0.756 | S | S | * | * | trans | 81.9 | 115.4 | 137.8 | -76 | -2.8 | 0 | 0 | 0 | 120.9 | ||||
| 414 | E | 34.5 | Very low | 34.2 | Very low | 144 Ų | 144 | 157.7 Ų | 157.7 | 67% | 0.673 | 75% | 0.751 | S | S | * | * | 113.5 | 139.1 | 123.1 | -84.2 | -76.3 | 179.9 | 0 | 0 | 118.2 | |||||
| 415 | Q | 35.7 | Very low | 33.5 | Very low | 136 Ų | 136 | 154.1 Ų | 154.1 | 64% | 0.636 | 74% | 0.743 | S | S | * | * | trans | 70.1 | 89.4 | 172 | -98.4 | 85.6 | 31.6 | 0 | 0 | 121 | ||||
| 416 | E | 32.2 | Very low | 33.9 | Very low | 173 Ų | 173 | 151.8 Ų | 151.8 | 81% | 0.808 | 74% | 0.738 | S | S | * | * | 63.7 | 101 | 113.4 | -71.4 | -177.2 | 157.9 | 0 | 0 | 119.4 | |||||
| 417 | R | 31 | Very low | 33.7 | Very low | 216 Ų | 216 | 149.9 Ų | 149.9 | 82% | 0.815 | 73% | 0.734 | S | S | * | * | trans | -155.5 | 129.4 | 148 | -120.5 | 178.4 | 165.7 | 146.7 | 4.3 | 112.3 | ||||
| 418 | M | 30.9 | Very low | 33.9 | Very low | 139 Ų | 139 | 151.6 Ų | 151.6 | 69% | 0.685 | 73% | 0.733 | S | S | * | * | trans | 65.8 | 142.2 | 146.9 | -72.4 | -175.7 | -71.8 | 0 | 0 | 115.6 | ||||
| 419 | E | 32.4 | Very low | 33.6 | Very low | 149 Ų | 149 | 154.5 Ų | 154.5 | 70% | 0.696 | 74% | 0.735 | S | S | * | * | cis | -171.4 | 163 | 6.4 | -126.4 | 174.2 | -169 | 0 | 0 | 105.7 | ||||
| 420 | L | 35.3 | Very low | 33.3 | Very low | 146 Ų | 146 | 152 Ų | 152 | 76% | 0.764 | 73% | 0.729 | S | S | * | * | trans | 66.4 | 106.8 | 152.4 | -61.2 | 160.4 | 0 | 0 | 0 | 117.5 | ||||
| 421 | R | 29.8 | Very low | 33.5 | Very low | 243 Ų | 243 | 151.4 Ų | 151.4 | 92% | 0.917 | 73% | 0.73 | S | S | * | * | trans | -127.5 | 134.4 | 137.6 | -82.4 | -162.9 | 179.7 | -165.7 | 2.7 | 110.5 | ||||
| 422 | P | 38.4 | Very low | 33.6 | Very low | 115 Ų | 115 | 153.4 Ų | 153.4 | 75% | 0.747 | 74% | 0.736 | S | S | * | * | trans | -87.8 | 149 | 152 | 34.3 | -27 | 0 | 0 | 0 | 111.1 | ||||
| 423 | K | 31 | Very low | 33.8 | Very low | 170 Ų | 170 | 153.3 Ų | 153.3 | 74% | 0.739 | 73% | 0.733 | S | S | * | * | trans | 54.5 | 116.7 | 143.3 | -82.9 | -174.9 | 168.5 | -172.7 | 0 | 122.1 | ||||
| 424 | Y | 32.6 | Very low | 33.9 | Very low | 206 Ų | 206 | 153.1 Ų | 153.1 | 81% | 0.808 | 73% | 0.732 | S | S | * | * | trans | 72.5 | 122.6 | 139.7 | -62.4 | -62.8 | 0 | 0 | 0 | 120.5 | ||||
| 425 | G | 29.5 | Very low | 34.1 | Very low | 66 Ų | 66 | 151.2 Ų | 151.2 | 68% | 0.68 | 74% | 0.735 | S | S | * | * | 137.2 | 112.3 | 117.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 426 | I | 36.4 | Very low | 34.2 | Very low | 151 Ų | 151 | 149.8 Ų | 149.8 | 77% | 0.774 | 74% | 0.74 | S | S | * | * | trans | 90.9 | 98.1 | 133.1 | -60.2 | 169.8 | 0 | 0 | 0 | 117.6 | ||||
| 427 | K | 32 | Very low | 34.5 | Very low | 166 Ų | 166 | 148.6 Ų | 148.6 | 72% | 0.722 | 74% | 0.738 | S | S | * | * | 76.6 | 140.2 | 122.9 | -68 | -175.3 | -178.1 | -178.2 | 0 | 122.2 | |||||
| 428 | H | 35.1 | Very low | 35.2 | Very low | 155 Ų | 155 | 145.7 Ų | 145.7 | 72% | 0.718 | 74% | 0.736 | S | S | * | * | trans | 79.3 | 140.3 | 148.8 | -71.7 | -53 | 0 | 0 | 0 | 116.2 | ||||
| 429 | R | 33.5 | Very low | 35.6 | Very low | 208 Ų | 208 | 145 Ų | 145 | 79% | 0.785 | 74% | 0.739 | S | S | * | * | cis | 177.9 | 138 | 1.3 | 163.7 | 176.5 | -179 | 172.5 | 2.7 | 106.4 | ||||
| 430 | S | 35.4 | Very low | 35.7 | Very low | 92 Ų | 92 | 143 Ų | 143 | 64% | 0.643 | 74% | 0.742 | S | S | * | * | trans | 53.7 | 133.3 | 154.4 | 70 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 431 | T | 37.1 | Very low | 35.8 | Very low | 112 Ų | 112 | 144.2 Ų | 144.2 | 69% | 0.687 | 74% | 0.743 | S | S | * | * | -168 | 135.1 | 57.9 | 39.7 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 432 | E | 34.6 | Very low | 36.2 | Very low | 164 Ų | 164 | 137.3 Ų | 137.3 | 77% | 0.766 | 73% | 0.733 | S | S | * | * | 42.3 | 131.7 | 129.2 | -63 | -175.6 | 175 | 0 | 0 | 119.4 | |||||
| 433 | H | 37.5 | Very low | 36.4 | Very low | 141 Ų | 141 | 140.7 Ų | 140.7 | 65% | 0.653 | 74% | 0.738 | S | S | * | * | cis | -170.8 | 147.7 | 40.2 | -125.8 | 30.7 | 0 | 0 | 0 | 109.8 | ||||
| 434 | N | 37.3 | Very low | 36.5 | Very low | 124 Ų | 124 | 142.5 Ų | 142.5 | 66% | 0.663 | 75% | 0.747 | S | S | * | * | trans | 59.9 | 124.4 | 146.1 | -56.4 | -17.4 | 0 | 0 | 0 | 118.6 | ||||
| 435 | S | 38.8 | Very low | 37.2 | Very low | 104 Ų | 104 | 139.1 Ų | 139.1 | 73% | 0.727 | 74% | 0.743 | S | S | * | * | -179.6 | 136.8 | 54.6 | 25.6 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 436 | S | 38.4 | Very low | 37.6 | Very low | 105 Ų | 105 | 141.4 Ų | 141.4 | 73% | 0.734 | 75% | 0.748 | S | S | * | * | trans | 45 | 140.3 | 143 | 62.4 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 437 | L | 37.6 | Very low | 38.3 | Very low | 148 Ų | 148 | 141.2 Ų | 141.2 | 78% | 0.775 | 75% | 0.748 | S | S | * | * | cis | -176.6 | 147.5 | 15.8 | -121.8 | 160.6 | 0 | 0 | 0 | 107.3 | ||||
| 438 | M | 44.9 | Very low | 38.7 | Very low | 155 Ų | 155 | 142.9 Ų | 142.9 | 76% | 0.764 | 76% | 0.759 | S | S | * | * | trans | 74.1 | 99 | 160.4 | -52.4 | -57.6 | -102.4 | 0 | 0 | 118.7 | ||||
| 439 | V | 39.1 | Very low | 38.9 | Very low | 126 Ų | 126 | 142.6 Ų | 142.6 | 76% | 0.764 | 76% | 0.762 | S | S | * | * | 93.5 | 95.4 | 83.4 | 167.3 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 440 | S | 35 | Very low | 39.1 | Very low | 107 Ų | 107 | 139.1 Ų | 139.1 | 75% | 0.748 | 77% | 0.765 | S | S | * | * | trans | -104.7 | 165.8 | 142.1 | -59.7 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 441 | E | 38.9 | Very low | 39.1 | Very low | 170 Ų | 170 | 141.3 Ų | 141.3 | 79% | 0.794 | 77% | 0.768 | S | S | * | * | cis | -178.2 | 158.4 | 38.9 | -142.9 | 168.5 | -147.9 | 0 | 0 | 108.2 | ||||
| 442 | S | 38.3 | Very low | 38.9 | Very low | 99 Ų | 99 | 145.1 Ų | 145.1 | 69% | 0.692 | 78% | 0.775 | S | S | * | * | trans | 69.4 | 139.6 | 134.3 | 67.5 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 443 | E | 42.1 | Very low | 38.7 | Very low | 186 Ų | 186 | 142.2 Ų | 142.2 | 87% | 0.869 | 77% | 0.773 | S | S | * | * | trans | -49.9 | 149.7 | 163.8 | -62.3 | 159.5 | 143.6 | 0 | 0 | 113.8 | ||||
| 444 | F | 33.3 | Very low | 38.5 | Very low | 208 Ų | 208 | 145.6 Ų | 145.6 | 91% | 0.912 | 78% | 0.78 | S | S | * | * | trans | -127.4 | 129 | 165.7 | -131.9 | -91.1 | 0 | 0 | 0 | 108.7 | ||||
| 445 | D | 46.6 | Very low | 38.3 | Very low | 135 Ų | 135 | 146.7 Ų | 146.7 | 72% | 0.722 | 78% | 0.781 | S | S | * | * | trans | -79.5 | 146.3 | 173.5 | -159.8 | 7.2 | 0 | 0 | 0 | 109.8 | ||||
| 446 | S | 37.6 | Very low | 37.9 | Very low | 113 Ų | 113 | 151.5 Ų | 151.5 | 79% | 0.79 | 79% | 0.789 | S | S | * | * | trans | -157.4 | 113.5 | 161.5 | 70.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 447 | D | 52.1 | Low | 37.6 | Very low | 147 Ų | 147 | 152.9 Ų | 152.9 | 79% | 0.786 | 79% | 0.785 | S | S | * | * | trans | -61.7 | 150.1 | 162.8 | -66.9 | -48.8 | 0 | 0 | 0 | 112.6 | ||||
| 448 | Q | 40.1 | Very low | 37.3 | Very low | 201 Ų | 201 | 155.3 Ų | 155.3 | 94% | 0.939 | 79% | 0.793 | S | S | * | * | trans | -158.8 | 129.8 | 142.4 | -121.6 | 171.7 | 11.4 | 0 | 0 | 114.2 | ||||
| 449 | D | 39.3 | Very low | 36.7 | Very low | 149 Ų | 149 | 158.2 Ų | 158.2 | 80% | 0.797 | 80% | 0.795 | S | S | * | * | trans | -70.2 | 156.2 | 173 | -79.8 | -50.8 | 0 | 0 | 0 | 114.8 | ||||
| 450 | T | 37.8 | Very low | 36.2 | Very low | 135 Ų | 135 | 155.9 Ų | 155.9 | 83% | 0.828 | 80% | 0.797 | S | S | * | * | trans | -175.2 | 107 | 136.1 | 33.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 451 | I | 34.9 | Very low | 36 | Very low | 138 Ų | 138 | 158.4 Ų | 158.4 | 71% | 0.708 | 80% | 0.802 | S | S | * | * | 48 | 108.7 | 90 | -54.9 | -179.3 | 0 | 0 | 0 | 115.4 | |||||
| 452 | F | 33 | Very low | 36.3 | Very low | 192 Ų | 192 | 155.5 Ų | 155.5 | 84% | 0.842 | 80% | 0.798 | S | S | * | * | -175.9 | 115.1 | 118.6 | -106.8 | -78.6 | 0 | 0 | 0 | 113.1 | |||||
| 453 | S | 30.1 | Very low | 36.2 | Very low | 103 Ų | 103 | 160.6 Ų | 160.6 | 72% | 0.72 | 81% | 0.808 | S | S | * | * | trans | 35.6 | 113.5 | 139.5 | -49.7 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 454 | R | 33.4 | Very low | 35.7 | Very low | 213 Ų | 213 | 158.4 Ų | 158.4 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | -13.8 | 138.9 | 124.4 | 178.4 | 169.7 | 157.8 | 130.5 | 0.2 | 115.8 | |||||
| 455 | E | 33.6 | Very low | 35.7 | Very low | 147 Ų | 147 | 153 Ų | 153 | 69% | 0.687 | 80% | 0.795 | S | S | * | * | -179.6 | 143.6 | 73.7 | -140.8 | 158.1 | -136.3 | 0 | 0 | 107.1 | |||||
| 456 | K | 30.7 | Very low | 35.1 | Very low | 205 Ų | 205 | 155.6 Ų | 155.6 | 89% | 0.891 | 81% | 0.805 | S | S | * | * | -173.5 | 151 | 85.5 | -156.4 | 174.3 | -175.3 | -179.1 | 0 | 111.6 | |||||
| 457 | M | 31.5 | Very low | 35.1 | Very low | 133 Ų | 133 | 158.1 Ų | 158.1 | 66% | 0.655 | 81% | 0.81 | S | S | * | * | trans | -92.4 | 144.9 | -168 | 175.8 | 171.5 | 153.2 | 0 | 0 | 111.4 | R459 | M457-R459 HydrophobicContact CE-CG 4.37Š| ||
| 458 | E | 30.1 | Very low | 34.1 | Very low | 200 Ų | 200 | 155.1 Ų | 155.1 | 94% | 0.935 | 81% | 0.813 | S | S | * | * | trans | -145.3 | 125.7 | 142.4 | -126.3 | 172.2 | -159.7 | 0 | 0 | 111.6 | ||||
| 459 | R | 33.8 | Very low | 33.9 | Very low | 215 Ų | 215 | 150.2 Ų | 150.2 | 81% | 0.811 | 80% | 0.801 | S | S | * | * | trans | -90.4 | 143 | -179 | -91.9 | 174.6 | 168 | 166.5 | -4.7 | 109.3 | M457 | M457-R459 HydrophobicContact CE-CG 4.37Š| ||
| 460 | G | 28.1 | Very low | 33.7 | Very low | 78 Ų | 78 | 150.4 Ų | 150.4 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | trans | -148.5 | 121.7 | 156.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 461 | N | 31.8 | Very low | 33.4 | Very low | 159 Ų | 159 | 155 Ų | 155 | 85% | 0.85 | 80% | 0.803 | S | S | * | * | trans | -62.2 | 158.4 | -164 | -91.5 | -27.4 | 0 | 0 | 0 | 117.7 | ||||
| 462 | P | 44.5 | Very low | 33.3 | Very low | 110 Ų | 110 | 155.8 Ų | 155.8 | 71% | 0.714 | 81% | 0.809 | S | S | * | * | trans | -104 | 143.5 | 163.2 | 37.2 | -26.9 | 0 | 0 | 0 | 113 | ||||
| 463 | K | 35.7 | Very low | 33.3 | Very low | 206 Ų | 206 | 150.3 Ų | 150.3 | 90% | 0.896 | 81% | 0.806 | S | S | * | * | trans | 171.4 | 130.2 | 152.4 | -96.6 | 165.4 | -175.1 | -175.8 | 0 | 105.2 | ||||
| 464 | V | 32.3 | Very low | 33.5 | Very low | 139 Ų | 139 | 149.8 Ų | 149.8 | 84% | 0.842 | 81% | 0.808 | S | S | * | * | -162.2 | 141.2 | 79.1 | 160.7 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 465 | S | 32.6 | Very low | 33.7 | Very low | 96 Ų | 96 | 144.9 Ų | 144.9 | 67% | 0.671 | 81% | 0.806 | S | S | * | * | trans | -75.8 | 144.9 | 168.4 | 151.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 466 | M | 34.6 | Very low | 33.7 | Very low | 189 Ų | 189 | 147.2 Ų | 147.2 | 93% | 0.931 | 81% | 0.814 | S | S | * | * | trans | -160.2 | 130.9 | 135.3 | -114.4 | -175.3 | 164.5 | 0 | 0 | 113.6 | ||||
| 467 | N | 36.3 | Very low | 33.7 | Very low | 166 Ų | 166 | 142.1 Ų | 142.1 | 89% | 0.888 | 81% | 0.805 | S | S | * | * | trans | -67.2 | 155.3 | 168.6 | -79.7 | -27.7 | 0 | 0 | 0 | 112.4 | ||||
| 468 | G | 31.1 | Very low | 34 | Very low | 84 Ų | 84 | 146.5 Ų | 146.5 | 87% | 0.866 | 82% | 0.816 | S | S | * | * | trans | -176.5 | 114.3 | 160.7 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 469 | S | 37 | Very low | 34.1 | Very low | 98 Ų | 98 | 141.9 Ų | 141.9 | 69% | 0.685 | 80% | 0.804 | S | S | * | * | trans | -105.2 | 157.9 | -175 | 64.3 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 470 | I | 34.1 | Very low | 34.6 | Very low | 153 Ų | 153 | 136.5 Ų | 136.5 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | trans | 79.3 | 128.1 | 158 | -55.2 | 161.6 | 0 | 0 | 0 | 113.6 | ||||
| 471 | R | 32.3 | Very low | 35.3 | Very low | 231 Ų | 231 | 141.9 Ų | 141.9 | 87% | 0.872 | 80% | 0.801 | S | S | * | * | -175.8 | 163.1 | 62.3 | -149.2 | 164.5 | -178.6 | -163.7 | -1.1 | 113.4 | |||||
| 472 | N | 33.4 | Very low | 36.2 | Very low | 155 Ų | 155 | 141 Ų | 141 | 83% | 0.829 | 80% | 0.796 | S | S | * | * | trans | -49.3 | 150.2 | 175.9 | -61.8 | -29.1 | 0 | 0 | 0 | 118.5 | ||||
| 473 | G | 31.8 | Very low | 36 | Very low | 76 Ų | 76 | 151.2 Ų | 151.2 | 78% | 0.784 | 82% | 0.82 | S | S | * | * | 90.5 | 114.6 | 124.8 | 0 | 0 | 0 | 0 | 0 | 118.3 | |||||
| 474 | A | 35.7 | Very low | 36 | Very low | 93 Ų | 93 | 148.5 Ų | 148.5 | 77% | 0.769 | 82% | 0.817 | S | S | * | * | 173.9 | 127.6 | 119.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 475 | S | 36.1 | Very low | 36.2 | Very low | 109 Ų | 109 | 148.9 Ų | 148.9 | 76% | 0.762 | 82% | 0.815 | S | S | * | * | trans | -61 | 140.7 | 161.4 | 48.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 476 | F | 33.9 | Very low | 36.4 | Very low | 196 Ų | 196 | 151.9 Ų | 151.9 | 86% | 0.86 | 82% | 0.823 | S | S | * | * | trans | -139.1 | 111.7 | 150.2 | -98.2 | -81 | 0 | 0 | 0 | 111.4 | ||||
| 477 | S | 31.5 | Very low | 36.5 | Very low | 99 Ų | 99 | 149.7 Ų | 149.7 | 69% | 0.692 | 82% | 0.817 | S | S | * | * | trans | -64.9 | 144.8 | 156.1 | 166 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 478 | Y | 36.7 | Very low | 36.5 | Very low | 225 Ų | 225 | 148.7 Ų | 148.7 | 88% | 0.882 | 81% | 0.812 | S | S | * | * | trans | -132.3 | 122.4 | 151 | -122.7 | -88.4 | 0 | 0 | 0 | 110.8 | ||||
| 479 | C | 33.3 | Very low | 36.9 | Very low | 102 Ų | 102 | 153 Ų | 153 | 69% | 0.689 | 81% | 0.809 | S | S | * | * | trans | -67.5 | 134.1 | 171.6 | -144.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 480 | S | 43.4 | Very low | 36.9 | Very low | 103 Ų | 103 | 156.9 Ų | 156.9 | 72% | 0.72 | 82% | 0.818 | S | S | * | * | 23.6 | 113.2 | 106.8 | -165.8 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 481 | K | 43.7 | Very low | 37.1 | Very low | 191 Ų | 191 | 157.2 Ų | 157.2 | 83% | 0.83 | 82% | 0.82 | S | S | * | * | trans | -164.5 | 119.1 | 136.8 | -127.9 | 172.2 | -178.2 | 172.4 | 0 | 112.7 | ||||
| 482 | D | 50 | Low | 37.5 | Very low | 141 Ų | 141 | 151.1 Ų | 151.1 | 75% | 0.754 | 82% | 0.816 | S | S | * | * | trans | 25.5 | 116.6 | 142 | -56.5 | -34.6 | 0 | 0 | 0 | 120.1 | ||||
| 483 | R | 40.7 | Very low | 37.9 | Very low | 323 Ų | 323 | 150.7 Ų | 150.7 | 100% | 1.219 | 82% | 0.815 | S | S | * | * | -158.9 | 0 | 111.4 | -130.2 | 178.5 | -171.5 | 167.2 | 2.3 | 112.5 |
Retrieved 483 of 483 residues in 210 ms
(Link to these results)