| 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 | 50.2 | Low | 69.9 | Low | 208 Ų | 208 | 117.5 Ų | 117.5 | 100% | 1.025 | 67% | 0.668 | S | S | * | * | 0 | 120.5 | 0 | -82.5 | -177.4 | -95.6 | 0 | 0 | 107.6 | |||||
| 2 | I | 67.8 | Low | 69.8 | Low | 165 Ų | 165 | 119.8 Ų | 119.8 | 85% | 0.846 | 68% | 0.678 | S | S | * | * | trans | -95 | 107.3 | 179.7 | -60.2 | 169.6 | 0 | 0 | 0 | 106.2 | ||||
| 3 | W | 69.7 | Low | 69.6 | Low | 141 Ų | 141 | 114.4 Ų | 114.4 | 53% | 0.534 | 66% | 0.657 | S | S | . | * | P | Polyproline II helix | trans | -77.2 | 131.4 | 171.1 | -69.3 | 92.7 | 0 | 0 | 0 | 108.4 | E30 | W3-E30 HydrophobicContact CH2-CB 4.19Š|
| 4 | M | 72.4 | Confident | 69.6 | Low | 111 Ų | 111 | 115.6 Ų | 115.6 | 55% | 0.547 | 68% | 0.675 | S | S | . | * | P | Polyproline II helix | trans | -98 | 126.2 | 170.1 | -77.7 | 176.8 | -61.1 | 0 | 0 | 108.9 | F18 | M4-F18 HydrophobicContact CE-CE1 3.65Å; M4-F18 HydrophobicContact CE-CE2 3.91Å; M4-F18 HydrophobicContact CE-CZ 3.13Å; M4-F18 HydrophobicContact SD-CE2 3.98Å; M4-F18 HydrophobicContact SD-CZ 3.53Å; M4-F18 VanDerWaalsContact SD-CZ 3.53Å |
| 5 | L | 76.6 | Confident | 69.7 | Low | 150 Ų | 150 | 121.4 Ų | 121.4 | 79% | 0.785 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -95.4 | 134.3 | 171.7 | -166.9 | 79.3 | 0 | 0 | 0 | 108.5 | ||
| 6 | T | 76.1 | Confident | 70 | Confident | 72 Ų | 72 | 120.4 Ų | 120.4 | 44% | 0.442 | 67% | 0.665 | S | S | . | * | trans | -132.2 | 141 | 170 | -163.3 | 0 | 0 | 0 | 0 | 109.5 | Y16 | T6-Y16 WeakPolarHBondContact CB-OH 3.29Å; T6-Y16 HydrophobicContact CG2-CD1 4.32Å; T6-Y16 HydrophobicContact CG2-CE1 3.62Å; T6-Y16 HydrophobicContact CG2-CE2 4.21Å; T6-Y16 PolarHBondContact OG1-OH 3.35Å | ||
| 7 | V | 76.9 | Confident | 70.2 | Confident | 89 Ų | 89 | 119.2 Ų | 119.2 | 54% | 0.539 | 66% | 0.661 | S | S | . | * | trans | -105.1 | 122.6 | -179.9 | 169.9 | 0 | 0 | 0 | 0 | 108.2 | F36 | V7-F36 HydrophobicContact CB-CE1 4.37Å; V7-F36 HydrophobicContact CB-CZ 4.42Å; V7-F36 HydrophobicContact CG1-CE1 3.74Å; V7-F36 HydrophobicContact CG1-CZ 3.54Å; V7-F36 HydrophobicContact CG2-CE1 3.99Å; V7-F36 HydrophobicContact CG2-CZ 4.04Å | ||
| 8 | L | 73.4 | Confident | 70.5 | Confident | 77 Ų | 77 | 117.9 Ų | 117.9 | 40% | 0.403 | 65% | 0.648 | S | S | . | * | trans | -87.3 | 130.2 | 172 | -69.5 | 176.5 | 0 | 0 | 0 | 109.6 | S10 Y16 | L8-S10 VanDerWaalsContact C-N 3.29Å; L8-S10 PolarHBondContact O-N 3.13Å; L8-Y16 HydrophobicContact CD2-CD2 3.3Å; L8-Y16 HydrophobicContact CD2-CE2 3.98Å; L8-Y16 HydrophobicContact CD2-CG 3.82Å; L8-Y16 HydrophobicContact CG-CD2 4.46Å | ||
| 9 | A | 67.4 | Low | 70.6 | Confident | 113 Ų | 113 | 122.4 Ų | 122.4 | 93% | 0.934 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -74.3 | -17 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 10 | S | 72.5 | Confident | 70.8 | Confident | 58 Ų | 58 | 119.2 Ų | 119.2 | 41% | 0.406 | 64% | 0.637 | S | S | . | * | trans | -139 | 137.1 | 178.8 | 178.2 | 0 | 0 | 0 | 0 | 111.2 | L8 D12 A13 | L8-S10 VanDerWaalsContact C-N 3.29Å; L8-S10 PolarHBondContact O-N 3.13Å; S10-D12 PolarHBondContact O-N 2.83Å; S10-D12 PolarHBondContact OG-N 2.91Å; S10-D12 VanDerWaalsContact OG-N 3.1Å; S10-A13 WeakPolarHBondContact O-CB 3.35Å; S10-A13 PolarHBondContact O-N 3.17Å | ||
| 11 | A | 65.8 | Low | 71.1 | Confident | 108 Ų | 108 | 121.3 Ų | 121.3 | 89% | 0.893 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.2 | -19.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | A13 | A11-A13 VanDerWaalsContact C-N 3.31Š|
| 12 | D | 69.3 | Low | 72.5 | Confident | 146 Ų | 146 | 116.2 Ų | 116.2 | 78% | 0.781 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.4 | 1.3 | 179.2 | -58.3 | -40 | 0 | 0 | 0 | 112.9 | S10 S14 | S10-D12 PolarHBondContact O-N 2.83Å; S10-D12 PolarHBondContact OG-N 2.91Å; S10-D12 VanDerWaalsContact OG-N 3.1Å; D12-S14 PolarHBondContact O-N 2.75Å |
| 13 | A | 66.6 | Low | 73.1 | Confident | 49 Ų | 49 | 110 Ų | 110 | 41% | 0.405 | 60% | 0.597 | S | S | . | * | trans | -68.1 | 102.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | S10 A11 R15 | S10-A13 WeakPolarHBondContact O-CB 3.35Å; S10-A13 PolarHBondContact O-N 3.17Å; A11-A13 VanDerWaalsContact C-N 3.31Å; A13-R15 PolarHBondContact O-N 3.16Å | ||
| 14 | S | 69.4 | Low | 73.7 | Confident | 131 Ų | 131 | 111.8 Ų | 111.8 | 92% | 0.916 | 60% | 0.604 | S | S | * | * | trans | -71.6 | -12.9 | -179.4 | 58.9 | 0 | 0 | 0 | 0 | 114.3 | D12 | D12-S14 PolarHBondContact O-N 2.75Š| ||
| 15 | R | 72.1 | Confident | 74.2 | Confident | 203 Ų | 203 | 107.3 Ų | 107.3 | 77% | 0.766 | 58% | 0.583 | S | S | * | * | trans | -150.1 | 127.5 | -178.8 | -168.7 | 173.4 | 74.9 | 179.8 | 3.8 | 112 | A13 V17 | A13-R15 PolarHBondContact O-N 3.16Å; R15-V17 HydrophobicContact CG-CG2 4.27Å | ||
| 16 | Y | 74.3 | Confident | 74.7 | Confident | 106 Ų | 106 | 103.6 Ų | 103.6 | 42% | 0.416 | 56% | 0.561 | S | S | . | * | trans | -109.8 | 132.6 | 164.1 | 179.7 | -111.5 | 0 | 0 | 0 | 109.7 | T6 L8 F18 | T6-Y16 WeakPolarHBondContact CB-OH 3.29Å; T6-Y16 HydrophobicContact CG2-CD1 4.32Å; T6-Y16 HydrophobicContact CG2-CE1 3.62Å; T6-Y16 HydrophobicContact CG2-CE2 4.21Å; T6-Y16 PolarHBondContact OG1-OH 3.35Å; L8-Y16 HydrophobicContact CD2-CD2 3.3Å; L8-Y16 HydrophobicContact CD2-CE2 3.98Å; L8-Y16 HydrophobicContact CD2-CG 3.82Å; L8-Y16 HydrophobicContact CG-CD2 4.46Å; Y16-F18 HydrophobicContact CD1-CB 4.39Å; Y16-F18 HydrophobicContact CE1-CB 3.77Å; Y16-F18 HydrophobicContact CE1-CD2 4.24Å; Y16-F18 HydrophobicContact CE1-CG 4.5Å | ||
| 17 | V | 72.9 | Confident | 75.1 | Confident | 99 Ų | 99 | 101.1 Ų | 101.1 | 60% | 0.6 | 55% | 0.547 | S | S | * | . | trans | -111.5 | 106.9 | 174.9 | -178.7 | 0 | 0 | 0 | 0 | 107.8 | R15 R19 | R15-V17 HydrophobicContact CG-CG2 4.27Å; V17-R19 PolarHBondContact O-N 3.38Å | ||
| 18 | F | 74.9 | Confident | 75.7 | Confident | 96 Ų | 96 | 100.7 Ų | 100.7 | 42% | 0.421 | 55% | 0.546 | S | S | . | . | trans | -77.8 | 118.6 | 170.5 | -177.5 | -110.4 | 0 | 0 | 0 | 109.1 | M4 Y16 N20 | M4-F18 HydrophobicContact CE-CE1 3.65Å; M4-F18 HydrophobicContact CE-CE2 3.91Å; M4-F18 HydrophobicContact CE-CZ 3.13Å; M4-F18 HydrophobicContact SD-CE2 3.98Å; M4-F18 HydrophobicContact SD-CZ 3.53Å; M4-F18 VanDerWaalsContact SD-CZ 3.53Å; Y16-F18 HydrophobicContact CD1-CB 4.39Å; Y16-F18 HydrophobicContact CE1-CB 3.77Å; Y16-F18 HydrophobicContact CE1-CD2 4.24Å; Y16-F18 HydrophobicContact CE1-CG 4.5Å; F18-N20 HydrophobicContact CD1-CB 4.25Å; F18-N20 HydrophobicContact CE1-CB 3.34Å; F18-N20 HydrophobicContact CE2-CB 4.4Å; F18-N20 HydrophobicContact CZ-CB 3.42Å; F18-N20 VanDerWaalsContact CZ-CB 3.42Å | ||
| 19 | R | 72.9 | Confident | 76.2 | Confident | 204 Ų | 204 | 100.2 Ų | 100.2 | 77% | 0.77 | 54% | 0.54 | S | S | * | . | trans | -113.9 | 116.1 | 175.8 | -170.4 | 172.5 | 177.7 | 167.5 | -1.1 | 109 | V17 E21 | V17-R19 PolarHBondContact O-N 3.38Å; R19-E21 IonicContact NE-OE1 3.15Å; R19-E21 IonicContact NH2-OE1 2.65Å | ||
| 20 | N | 75.2 | Confident | 77.3 | Confident | 57 Ų | 57 | 100 Ų | 100 | 31% | 0.305 | 52% | 0.52 | S | S | . | . | trans | -142.4 | 119.1 | 174.4 | -176.7 | -7.6 | 0 | 0 | 0 | 109.2 | F18 S22 V23 | F18-N20 HydrophobicContact CD1-CB 4.25Å; F18-N20 HydrophobicContact CE1-CB 3.34Å; F18-N20 HydrophobicContact CE2-CB 4.4Å; F18-N20 HydrophobicContact CZ-CB 3.42Å; F18-N20 VanDerWaalsContact CZ-CB 3.42Å; N20-S22 VanDerWaalsContact C-N 3.31Å; N20-S22 VanDerWaalsContact CG-OG 3.28Å; N20-S22 PolarHBondContact ND2-OG 3.1Å; N20-S22 WeakPolarHBondContact OD1-CB 3.42Å; N20-S22 PolarHBondContact OD1-N 2.76Å; N20-S22 PolarHBondContact OD1-OG 3.49Å; N20-V23 HydrophobicContact CB-CG2 4Å | ||
| 21 | E | 76.5 | Confident | 78 | Confident | 164 Ų | 164 | 100.3 Ų | 100.3 | 77% | 0.766 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -10.9 | -175.9 | -58.6 | -175.9 | 167.4 | 0 | 0 | 112.6 | R19 V23 | R19-E21 IonicContact NE-OE1 3.15Å; R19-E21 IonicContact NH2-OE1 2.65Å; E21-V23 VanDerWaalsContact C-N 3.32Å |
| 22 | S | 80.6 | Confident | 79.2 | Confident | 101 Ų | 101 | 99.3 Ų | 99.3 | 71% | 0.706 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | -9.3 | 174.6 | 65.6 | 0 | 0 | 0 | 0 | 113.6 | N20 | N20-S22 VanDerWaalsContact C-N 3.31Å; N20-S22 VanDerWaalsContact CG-OG 3.28Å; N20-S22 PolarHBondContact ND2-OG 3.1Å; N20-S22 WeakPolarHBondContact OD1-CB 3.42Å; N20-S22 PolarHBondContact OD1-N 2.76Å; N20-S22 PolarHBondContact OD1-OG 3.49Å |
| 23 | V | 79.7 | Confident | 80 | Confident | 34 Ų | 34 | 96.8 Ų | 96.8 | 21% | 0.206 | 49% | 0.485 | C | S | . | . | S | Bend | trans | -78.4 | 129.5 | 178.3 | 158.5 | 0 | 0 | 0 | 0 | 109.9 | N20 E21 F29 | N20-V23 HydrophobicContact CB-CG2 4Å; E21-V23 VanDerWaalsContact C-N 3.32Å; V23-F29 HydrophobicContact CB-CZ 3.92Å; V23-F29 HydrophobicContact CG1-CE1 4.31Å; V23-F29 HydrophobicContact CG1-CE2 3.37Å; V23-F29 HydrophobicContact CG1-CZ 3.17Å; V23-F29 HydrophobicContact CG2-CE1 3.89Å; V23-F29 HydrophobicContact CG2-CE2 4.4Å; V23-F29 HydrophobicContact CG2-CZ 3.52Å |
| 24 | R | 82.6 | Confident | 80.9 | Confident | 179 Ų | 179 | 95.9 Ų | 95.9 | 68% | 0.675 | 48% | 0.48 | S | S | * | . | P | Polyproline II helix | trans | -63.6 | 147.9 | 173.5 | -70 | -179.3 | -175.7 | 177.8 | 1.1 | 110.9 | S27 S52 | R24-S27 VanDerWaalsContact CB-OG 3.24Å; R24-S27 WeakPolarHBondContact CB-OG 3.29Å; R24-S27 VanDerWaalsContact O-CB 3.3Å; R24-S27 WeakPolarHBondContact O-CB 3.45Å; R24-S27 PolarHBondContact O-OG 3.34Å; R24-S52 PolarHBondContact O-OG 3.01Å |
| 25 | P | 83.3 | Confident | 81.7 | Confident | 17 Ų | 17 | 94.6 Ų | 94.6 | 11% | 0.11 | 47% | 0.466 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | 154.1 | 175.4 | -23.1 | 35 | 0 | 0 | 0 | 112 | S27 E55 N85 | P25-S27 PolarHBondContact O-N 3.41Å; P25-S27 PolarHBondContact O-OG 3.41Å; P25-E55 HydrophobicContact CB-CB 4.03Å; P25-E55 HydrophobicContact CB-CG 3.88Å; P25-E55 HydrophobicContact CG-CB 4.02Å; P25-E55 HydrophobicContact CG-CG 3.6Å; P25-E55 WeakPolarHBondContact CG-OE1 3.42Å; P25-E55 WeakPolarHBondContact CG-OE2 3.46Å; P25-N85 CarbonylContact C-O 3.58Å |
| 26 | F | 85.8 | Confident | 82.3 | Confident | 73 Ų | 73 | 90.9 Ų | 90.9 | 32% | 0.32 | 46% | 0.456 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 41.3 | 41.9 | 177.8 | -164 | -110.7 | 0 | 0 | 0 | 114 | Y51 S52 A53 E54 G87 | F26-Y51 HydrophobicContact CD1-CD1 4.39Å; F26-Y51 HydrophobicContact CD2-CD1 4.17Å; F26-Y51 HydrophobicContact CD2-CG 4.48Å; F26-Y51 HydrophobicContact CE1-CD1 4.31Å; F26-Y51 HydrophobicContact CE1-CE1 4.3Å; F26-Y51 HydrophobicContact CE2-CD1 4.08Å; F26-Y51 HydrophobicContact CE2-CG 4.27Å; F26-Y51 HydrophobicContact CG-CD1 4.33Å; F26-Y51 HydrophobicContact CZ-CD1 4.15Å; F26-Y51 HydrophobicContact CZ-CE1 4.31Å; F26-S52 PolarHBondContact N-OG 3.04Å; F26-S52 VanDerWaalsContact N-OG 3.11Å; F26-A53 PolarHBondContact N-O 3.28Å; F26-E54 HydrophobicContact CD2-CG 3.85Å; F26-E54 HydrophobicContact CE2-CG 4.49Å; F26-G87 VanDerWaalsContact CB-N 3.33Å |
| 27 | S | 85.9 | Confident | 82.8 | Confident | 20 Ų | 20 | 90.4 Ų | 90.4 | 14% | 0.14 | 46% | 0.461 | C | S | . | . | trans | -102 | 137 | -177.1 | -67.4 | 0 | 0 | 0 | 0 | 109.7 | R24 P25 F29 Y51 S52 | R24-S27 VanDerWaalsContact CB-OG 3.24Å; R24-S27 WeakPolarHBondContact CB-OG 3.29Å; R24-S27 VanDerWaalsContact O-CB 3.3Å; R24-S27 WeakPolarHBondContact O-CB 3.45Å; R24-S27 PolarHBondContact O-OG 3.34Å; P25-S27 PolarHBondContact O-N 3.41Å; P25-S27 PolarHBondContact O-OG 3.41Å; S27-F29 WeakPolarHBondContact O-CD2 3.47Å; S27-F29 WeakPolarHBondContact O-CE2 3.39Å; S27-Y51 WeakPolarHBondContact O-CA 3.48Å; S27-S52 PolarHBondContact N-OG 3.22Å; S27-S52 PolarHBondContact O-N 2.99Å | ||
| 28 | P | 87.9 | Confident | 83.4 | Confident | 80 Ų | 80 | 93.2 Ų | 93.2 | 52% | 0.519 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 137.7 | 179.5 | 29.8 | -33.6 | 0 | 0 | 0 | 110.8 | V49 V50 Y51 | P28-V49 HydrophobicContact CB-CG1 3.75Å; P28-V50 CarbonylContact C-O 3.55Å; P28-V50 WeakPolarHBondContact CA-O 3.38Å; P28-Y51 HydrophobicContact CB-CD1 4.37Å; P28-Y51 HydrophobicContact CB-CE1 3.96Å; P28-Y51 HydrophobicContact CG-CE1 4.48Å |
| 29 | F | 85.3 | Confident | 84.1 | Confident | 67 Ų | 67 | 97.8 Ų | 97.8 | 29% | 0.294 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 133.9 | 172.9 | -67.9 | -83.6 | 0 | 0 | 0 | 109.4 | V23 S27 V31 V49 V50 | V23-F29 HydrophobicContact CB-CZ 3.92Å; V23-F29 HydrophobicContact CG1-CE1 4.31Å; V23-F29 HydrophobicContact CG1-CE2 3.37Å; V23-F29 HydrophobicContact CG1-CZ 3.17Å; V23-F29 HydrophobicContact CG2-CE1 3.89Å; V23-F29 HydrophobicContact CG2-CE2 4.4Å; V23-F29 HydrophobicContact CG2-CZ 3.52Å; S27-F29 WeakPolarHBondContact O-CD2 3.47Å; S27-F29 WeakPolarHBondContact O-CE2 3.39Å; F29-V31 HydrophobicContact CB-CG2 4.42Å; F29-V49 CarbonylContact O-C 3.35Å; F29-V49 VanDerWaalsContact O-CA 3.29Å; F29-V49 WeakPolarHBondContact O-CA 3.24Å; F29-V50 HydrophobicContact CB-CG2 4.04Å; F29-V50 PolarHBondContact N-O 2.93Å; F29-V50 PolarHBondContact O-N 2.59Å |
| 30 | E | 89.9 | Confident | 84.7 | Confident | 109 Ų | 109 | 89.8 Ų | 89.8 | 51% | 0.509 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 124.9 | 167.6 | -74.5 | -179.6 | -168.8 | 0 | 0 | 109.4 | W3 T47 V49 | W3-E30 HydrophobicContact CH2-CB 4.19Å; E30-T47 HydrophobicContact CB-CG2 3.64Å; E30-T47 HydrophobicContact CG-CG2 3.87Å; E30-V49 HydrophobicContact CG-CG2 4.15Å |
| 31 | V | 87.6 | Confident | 85.3 | Confident | 64 Ų | 64 | 94.1 Ų | 94.1 | 39% | 0.388 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 133 | -179.7 | -178.7 | 0 | 0 | 0 | 0 | 108.9 | F29 V33 T48 V50 | F29-V31 HydrophobicContact CB-CG2 4.42Å; V31-V33 HydrophobicContact CG1-CG2 4.43Å; V31-T48 PolarHBondContact N-O 2.96Å; V31-T48 PolarHBondContact O-N 2.75Å; V31-V50 HydrophobicContact CG2-CG2 3.63Å |
| 32 | K | 89.9 | Confident | 85.9 | Confident | 86 Ų | 86 | 87.5 Ų | 87.5 | 37% | 0.374 | 47% | 0.468 | S | S | . | . | trans | -131.3 | 148.5 | 165.4 | 64.6 | 179 | -174.6 | 171 | 0 | 108.1 | F44 | K32-F44 HydrophobicContact CD-CB 4.06Å; K32-F44 HydrophobicContact CD-CD1 3.88Å; K32-F44 HydrophobicContact CD-CG 4Å; K32-F44 HydrophobicContact CG-CD1 3.93Å; K32-F44 HydrophobicContact CG-CG 4.49Å | ||
| 33 | V | 86.9 | Confident | 86.3 | Confident | 94 Ų | 94 | 88.2 Ų | 88.2 | 57% | 0.57 | 47% | 0.47 | S | S | * | . | trans | -118.7 | 130.7 | -178.3 | -171.7 | 0 | 0 | 0 | 0 | 108.1 | V31 F44 S45 | V31-V33 HydrophobicContact CG1-CG2 4.43Å; V33-F44 CarbonylContact O-C 3.56Å; V33-F44 WeakPolarHBondContact O-CA 3.3Å; V33-S45 PolarHBondContact N-OG 2.91Å; V33-S45 WeakPolarHBondContact O-CB 3.44Å; V33-S45 PolarHBondContact O-N 3.04Å; V33-S45 PolarHBondContact O-OG 2.91Å | ||
| 34 | G | 86.4 | Confident | 86.8 | Confident | 30 Ų | 30 | 91 Ų | 91 | 31% | 0.309 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 155.5 | 176 | 0 | 0 | 0 | 0 | 0 | 110 | ||
| 35 | V | 84.8 | Confident | 87.3 | Confident | 103 Ų | 103 | 84.8 Ų | 84.8 | 62% | 0.624 | 46% | 0.463 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 147.8 | 172.1 | -63.3 | 0 | 0 | 0 | 0 | 109.3 | G42 | V35-G42 WeakPolarHBondContact O-CA 3.4Å; V35-G42 PolarHBondContact O-N 3.25Å |
| 36 | F | 84.9 | Confident | 87.7 | Confident | 126 Ų | 126 | 89.1 Ų | 89.1 | 55% | 0.553 | 49% | 0.491 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 154.6 | 172.2 | 77.3 | -82.3 | 0 | 0 | 0 | 110.1 | V7 G40 E41 | V7-F36 HydrophobicContact CB-CE1 4.37Å; V7-F36 HydrophobicContact CB-CZ 4.42Å; V7-F36 HydrophobicContact CG1-CE1 3.74Å; V7-F36 HydrophobicContact CG1-CZ 3.54Å; V7-F36 HydrophobicContact CG2-CE1 3.99Å; V7-F36 HydrophobicContact CG2-CZ 4.04Å; F36-G40 WeakPolarHBondContact CA-O 3.13Å; F36-E41 HydrophobicContact CB-CG 4.25Å |
| 37 | N | 85.1 | Confident | 88.1 | Confident | 96 Ų | 96 | 89.2 Ų | 89.2 | 51% | 0.513 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | -172.3 | 173 | 67.1 | 17.5 | 0 | 0 | 0 | 110.7 | K39 G40 | N37-K39 PolarHBondContact O-N 2.76Å; N37-K39 VanDerWaalsContact O-N 3.16Å; N37-K39 WeakPolarHBondContact OD1-CA 3.41Å; N37-K39 VanDerWaalsContact OD1-CB 3.29Å; N37-K39 WeakPolarHBondContact OD1-CB 3.17Å; N37-K39 PolarHBondContact OD1-N 2.83Å; N37-G40 PolarHBondContact N-O 2.97Å; N37-G40 PolarHBondContact O-N 3.47Å; N37-G40 PolarHBondContact OD1-N 2.83Å; N37-G40 VanDerWaalsContact OD1-N 3.13Å; N37-G40 PolarHBondContact OD1-O 2.84Å |
| 38 | N | 86.4 | Confident | 88.3 | Confident | 158 Ų | 158 | 92.1 Ų | 92.1 | 85% | 0.845 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -7.6 | 178 | 59.4 | -2.2 | 0 | 0 | 0 | 114.9 | ||
| 39 | K | 87.8 | Confident | 88.4 | Confident | 191 Ų | 191 | 91.9 Ų | 91.9 | 83% | 0.83 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.1 | -21.4 | 173.7 | -60.5 | -66.5 | -175.1 | 175.5 | 0 | 112.7 | N37 | N37-K39 PolarHBondContact O-N 2.76Å; N37-K39 VanDerWaalsContact O-N 3.16Å; N37-K39 WeakPolarHBondContact OD1-CA 3.41Å; N37-K39 VanDerWaalsContact OD1-CB 3.29Å; N37-K39 WeakPolarHBondContact OD1-CB 3.17Å; N37-K39 PolarHBondContact OD1-N 2.83Å |
| 40 | G | 85.7 | Confident | 88.6 | Confident | 37 Ų | 37 | 91.8 Ų | 91.8 | 38% | 0.381 | 52% | 0.517 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 147.9 | -168.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114 | F36 N37 | F36-G40 WeakPolarHBondContact CA-O 3.13Å; N37-G40 PolarHBondContact N-O 2.97Å; N37-G40 PolarHBondContact O-N 3.47Å; N37-G40 PolarHBondContact OD1-N 2.83Å; N37-G40 VanDerWaalsContact OD1-N 3.13Å; N37-G40 PolarHBondContact OD1-O 2.84Å |
| 41 | E | 88.8 | Confident | 88.4 | Confident | 147 Ų | 147 | 93 Ų | 93 | 69% | 0.687 | 52% | 0.518 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 135.4 | 176.2 | -65.5 | -179.4 | -179.8 | 0 | 0 | 111 | F36 | F36-E41 HydrophobicContact CB-CG 4.25Å |
| 42 | G | 88.1 | Confident | 88.3 | Confident | 26 Ų | 26 | 91.2 Ų | 91.2 | 27% | 0.268 | 51% | 0.508 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | -175.9 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | V35 | V35-G42 WeakPolarHBondContact O-CA 3.4Å; V35-G42 PolarHBondContact O-N 3.25Å |
| 43 | P | 90.3 | Very high | 88 | Confident | 115 Ų | 115 | 91 Ų | 91 | 75% | 0.747 | 52% | 0.522 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 144.6 | -179.5 | 27.6 | -33.9 | 0 | 0 | 0 | 111.8 | ||
| 44 | F | 90.5 | Very high | 88.1 | Confident | 94 Ų | 94 | 88.2 Ų | 88.2 | 41% | 0.412 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 150.9 | 169.8 | -71.5 | -85.3 | 0 | 0 | 0 | 111.2 | K32 V33 | K32-F44 HydrophobicContact CD-CB 4.06Å; K32-F44 HydrophobicContact CD-CD1 3.88Å; K32-F44 HydrophobicContact CD-CG 4Å; K32-F44 HydrophobicContact CG-CD1 3.93Å; K32-F44 HydrophobicContact CG-CG 4.49Å; V33-F44 CarbonylContact O-C 3.56Å; V33-F44 WeakPolarHBondContact O-CA 3.3Å |
| 45 | S | 91.1 | Very high | 88.2 | Confident | 47 Ų | 47 | 91 Ų | 91 | 33% | 0.329 | 51% | 0.508 | S | S | . | . | P | Polyproline II helix | trans | -63.6 | 166.2 | 165.8 | 77.4 | 0 | 0 | 0 | 0 | 111.4 | V33 | V33-S45 PolarHBondContact N-OG 2.91Å; V33-S45 WeakPolarHBondContact O-CB 3.44Å; V33-S45 PolarHBondContact O-N 3.04Å; V33-S45 PolarHBondContact O-OG 2.91Å |
| 46 | P | 93.5 | Very high | 88.6 | Confident | 108 Ų | 108 | 90.8 Ų | 90.8 | 70% | 0.701 | 50% | 0.5 | S | S | * | . | P | Polyproline II helix | trans | -54.8 | 147.4 | 163.2 | -23.1 | 34.1 | 0 | 0 | 0 | 111.4 | T48 | P46-T48 PolarHBondContact O-N 3.11Š|
| 47 | T | 92.7 | Very high | 88.9 | Confident | 75 Ų | 75 | 85 Ų | 85 | 46% | 0.46 | 48% | 0.475 | S | S | . | . | P | Polyproline II helix | trans | -69.6 | 122.5 | 170.4 | -57.1 | 0 | 0 | 0 | 0 | 109.2 | E30 | E30-T47 HydrophobicContact CB-CG2 3.64Å; E30-T47 HydrophobicContact CG-CG2 3.87Å |
| 48 | T | 91.1 | Very high | 89.3 | Confident | 81 Ų | 81 | 84.1 Ų | 84.1 | 50% | 0.497 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 139.9 | 174.7 | -65.2 | 0 | 0 | 0 | 0 | 109.6 | V31 P46 V50 | V31-T48 PolarHBondContact N-O 2.96Å; V31-T48 PolarHBondContact O-N 2.75Å; P46-T48 PolarHBondContact O-N 3.11Å; T48-V50 HydrophobicContact CG2-CG1 4.22Å |
| 49 | V | 90.4 | Very high | 89.7 | Confident | 76 Ų | 76 | 81.5 Ų | 81.5 | 46% | 0.461 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 123.9 | 171.2 | -178.9 | 0 | 0 | 0 | 0 | 109.5 | P28 F29 E30 Y51 | P28-V49 HydrophobicContact CB-CG1 3.75Å; F29-V49 CarbonylContact O-C 3.35Å; F29-V49 VanDerWaalsContact O-CA 3.29Å; F29-V49 WeakPolarHBondContact O-CA 3.24Å; E30-V49 HydrophobicContact CG-CG2 4.15Å; V49-Y51 HydrophobicContact CG1-CE2 4.3Å |
| 50 | V | 88.1 | Confident | 90 | Very high | 65 Ų | 65 | 75.1 Ų | 75.1 | 39% | 0.394 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 160.4 | 171.7 | -58.3 | 0 | 0 | 0 | 0 | 109.6 | P28 F29 V31 T48 | P28-V50 CarbonylContact C-O 3.55Å; P28-V50 WeakPolarHBondContact CA-O 3.38Å; F29-V50 HydrophobicContact CB-CG2 4.04Å; F29-V50 PolarHBondContact N-O 2.93Å; F29-V50 PolarHBondContact O-N 2.59Å; V31-V50 HydrophobicContact CG2-CG2 3.63Å; T48-V50 HydrophobicContact CG2-CG1 4.22Å |
| 51 | Y | 85.4 | Confident | 90.5 | Very high | 135 Ų | 135 | 73.6 Ų | 73.6 | 53% | 0.529 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 143.7 | 177.5 | -71.3 | -98.6 | 0 | 0 | 0 | 110.5 | F26 S27 P28 V49 | F26-Y51 HydrophobicContact CD1-CD1 4.39Å; F26-Y51 HydrophobicContact CD2-CD1 4.17Å; F26-Y51 HydrophobicContact CD2-CG 4.48Å; F26-Y51 HydrophobicContact CE1-CD1 4.31Å; F26-Y51 HydrophobicContact CE1-CE1 4.3Å; F26-Y51 HydrophobicContact CE2-CD1 4.08Å; F26-Y51 HydrophobicContact CE2-CG 4.27Å; F26-Y51 HydrophobicContact CG-CD1 4.33Å; F26-Y51 HydrophobicContact CZ-CD1 4.15Å; F26-Y51 HydrophobicContact CZ-CE1 4.31Å; S27-Y51 WeakPolarHBondContact O-CA 3.48Å; P28-Y51 HydrophobicContact CB-CD1 4.37Å; P28-Y51 HydrophobicContact CB-CE1 3.96Å; P28-Y51 HydrophobicContact CG-CE1 4.48Å; V49-Y51 HydrophobicContact CG1-CE2 4.3Å |
| 52 | S | 86.3 | Confident | 90.8 | Very high | 26 Ų | 26 | 68.8 Ų | 68.8 | 18% | 0.182 | 40% | 0.401 | C | S | . | . | P | Polyproline II helix | trans | -63.5 | 162.4 | 164.2 | 55 | 0 | 0 | 0 | 0 | 110.9 | R24 F26 S27 | R24-S52 PolarHBondContact O-OG 3.01Å; F26-S52 PolarHBondContact N-OG 3.04Å; F26-S52 VanDerWaalsContact N-OG 3.11Å; S27-S52 PolarHBondContact N-OG 3.22Å; S27-S52 PolarHBondContact O-N 2.99Å |
| 53 | A | 84.5 | Confident | 91.2 | Very high | 81 Ų | 81 | 72.5 Ų | 72.5 | 67% | 0.669 | 42% | 0.423 | S | S | * | . | P | Polyproline II helix | trans | -54.1 | 148.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112 | F26 | F26-A53 PolarHBondContact N-O 3.28Š|
| 54 | E | 88.1 | Confident | 91.5 | Very high | 36 Ų | 36 | 68.3 Ų | 68.3 | 17% | 0.168 | 39% | 0.394 | C | S | . | . | P | Polyproline II helix | trans | -69.4 | 156.6 | 167.4 | -62.9 | -166.7 | 158.2 | 0 | 0 | 109.9 | F26 G87 R88 S138 A139 | F26-E54 HydrophobicContact CD2-CG 3.85Å; F26-E54 HydrophobicContact CE2-CG 4.49Å; E54-G87 WeakPolarHBondContact OE1-CA 3.33Å; E54-R88 PolarHBondContact OE1-N 2.86Å; E54-S138 WeakPolarHBondContact OE2-CB 3.38Å; E54-S138 PolarHBondContact OE2-N 2.56Å; E54-S138 VanDerWaalsContact OE2-N 3.08Å; E54-S138 PolarHBondContact OE2-OG 3.08Å; E54-A139 HydrophobicContact CB-CB 3.97Å; E54-A139 WeakPolarHBondContact O-CB 3.08Å |
| 55 | E | 88.9 | Confident | 91.9 | Very high | 88 Ų | 88 | 69.6 Ų | 69.6 | 41% | 0.411 | 40% | 0.4 | S | S | . | . | trans | -119.2 | 157 | 167.5 | -81.9 | -173.2 | -172.8 | 0 | 0 | 108.8 | P25 R86 N137 A139 | P25-E55 HydrophobicContact CB-CB 4.03Å; P25-E55 HydrophobicContact CB-CG 3.88Å; P25-E55 HydrophobicContact CG-CB 4.02Å; P25-E55 HydrophobicContact CG-CG 3.6Å; P25-E55 WeakPolarHBondContact CG-OE1 3.42Å; P25-E55 WeakPolarHBondContact CG-OE2 3.46Å; E55-R86 VanDerWaalsContact CB-NH1 3.25Å; E55-R86 PolarHBondContact N-O 2.85Å; E55-R86 IonicContact OE2-CZ 3.88Å; E55-R86 IonicContact OE2-NH1 3.11Å; E55-R86 PolarHBondContact OE2-NH1 2.83Å; E55-R86 IonicContact OE2-NH2 3.63Å; E55-R86 PolarHBondContact OE2-NH2 2.91Å; E55-N137 PolarHBondContact O-ND2 2.65Å; E55-A139 VanDerWaalsContact C-CB 3.41Å | ||
| 56 | E | 92.2 | Very high | 92.2 | Very high | 98 Ų | 98 | 67.8 Ų | 67.8 | 46% | 0.458 | 39% | 0.388 | S | S | . | . | trans | -56.5 | 146.4 | 178 | -61.8 | -171.1 | 138.8 | 0 | 0 | 111.1 | T58 A139 G140 T141 | E56-T58 PolarHBondContact O-N 3.02Å; E56-A139 HydrophobicContact CG-CB 4.36Å; E56-G140 WeakPolarHBondContact OE1-CA 3.18Å; E56-T141 PolarHBondContact OE1-N 2.83Å | ||
| 57 | P | 92.6 | Very high | 92.4 | Very high | 5 Ų | 5 | 68.4 Ų | 68.4 | 3% | 0.032 | 38% | 0.376 | C | S | . | . | trans | -57.5 | 133.1 | 173.2 | -22.2 | 33.2 | 0 | 0 | 0 | 110.5 | E83 A135 G142 P143 | P57-E83 WeakPolarHBondContact CA-OE2 3.23Å; P57-A135 HydrophobicContact CB-CB 4.22Å; P57-A135 HydrophobicContact CG-CB 4.23Å; P57-G142 WeakPolarHBondContact O-CA 3.41Å; P57-P143 WeakPolarHBondContact O-CD 3.43Å | ||
| 58 | T | 92.9 | Very high | 92.7 | Very high | 78 Ų | 78 | 65.8 Ų | 65.8 | 48% | 0.479 | 36% | 0.361 | S | S | . | . | trans | -100.4 | -11.3 | -177 | 66.3 | 0 | 0 | 0 | 0 | 113.8 | E56 E83 P143 | E56-T58 PolarHBondContact O-N 3.02Å; T58-E83 WeakPolarHBondContact CA-OE1 2.97Å; T58-E83 WeakPolarHBondContact CB-OE1 3.37Å; T58-E83 PolarHBondContact N-OE1 2.89Å; T58-E83 VanDerWaalsContact N-OE1 3.13Å; T58-E83 PolarHBondContact N-OE2 3.13Å; T58-E83 PolarHBondContact OG1-OE1 2.52Å; T58-P143 WeakPolarHBondContact O-CG 3.31Å | ||
| 59 | K | 94 | Very high | 93 | Very high | 103 Ų | 103 | 64.7 Ų | 64.7 | 45% | 0.448 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -107.3 | 137.6 | 176.5 | -75.2 | 179.9 | -174.6 | -177.3 | 0 | 111.7 | P81 L82 E83 | K59-P81 HydrophobicContact CB-CB 3.7Å; K59-P81 WeakPolarHBondContact O-CB 3.47Å; K59-L82 WeakPolarHBondContact CD-O 3.08Å; K59-L82 PolarHBondContact NZ-O 2.75Å; K59-E83 WeakPolarHBondContact CG-OE1 3.37Å; K59-E83 PolarHBondContact N-OE1 2.94Å |
| 60 | P | 95.5 | Very high | 93.3 | Very high | 56 Ų | 56 | 61.6 Ų | 61.6 | 36% | 0.364 | 33% | 0.334 | S | S | . | . | P | Polyproline II helix | trans | -73.2 | 155.3 | 174.6 | 30.8 | -34.1 | 0 | 0 | 0 | 110.5 | A62 P143 S144 | P60-A62 PolarHBondContact O-N 3.02Å; P60-P143 HydrophobicContact CB-CG 4.21Å; P60-S144 WeakPolarHBondContact CB-O 3.46Å |
| 61 | P | 95.9 | Very high | 93.8 | Very high | 5 Ų | 5 | 58.6 Ų | 58.6 | 3% | 0.032 | 32% | 0.316 | C | S | . | . | P | Polyproline II helix | trans | -51.7 | 138.6 | 164.5 | -25 | 35.3 | 0 | 0 | 0 | 111.5 | W78 A79 Y92 V133 A135 | P61-W78 HydrophobicContact CB-CB 4.15Å; P61-W78 HydrophobicContact CB-CG 4.29Å; P61-A79 WeakPolarHBondContact CA-O 3.42Å; P61-Y92 HydrophobicContact CG-CD1 3.93Å; P61-Y92 HydrophobicContact CG-CE1 4.19Å; P61-V133 HydrophobicContact CB-CB 4.43Å; P61-V133 HydrophobicContact CB-CG1 4.37Å; P61-V133 WeakPolarHBondContact CD-O 3.05Å; P61-V133 HydrophobicContact CG-CB 4.23Å; P61-V133 HydrophobicContact CG-CG1 3.96Å; P61-A135 HydrophobicContact CG-CB 4.38Å |
| 62 | A | 94.8 | Very high | 94.4 | Very high | 47 Ų | 47 | 55.2 Ų | 55.2 | 39% | 0.388 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 170.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | P60 I64 A79 | P60-A62 PolarHBondContact O-N 3.02Å; A62-I64 PolarHBondContact O-N 3.37Å; A62-A79 HydrophobicContact CB-CB 4.3Å; A62-A79 PolarHBondContact N-O 3.18Å; A62-A79 PolarHBondContact O-N 2.94Å |
| 63 | S | 95.8 | Very high | 94.9 | Very high | 103 Ų | 103 | 55.2 Ų | 55.2 | 72% | 0.72 | 31% | 0.307 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 49.1 | 40.2 | 170.8 | -51.7 | 0 | 0 | 0 | 0 | 114.2 | F65 | S63-F65 PolarHBondContact O-N 2.73Å |
| 64 | I | 97.6 | Very high | 95.6 | Very high | 27 Ų | 27 | 51.4 Ų | 51.4 | 14% | 0.138 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 132.2 | 178.2 | -178.6 | 173.7 | 0 | 0 | 0 | 109.9 | A62 V76 F77 V133 S145 V148 | A62-I64 PolarHBondContact O-N 3.37Å; I64-V76 HydrophobicContact CD1-CG2 4.47Å; I64-V76 HydrophobicContact CG1-CG2 4.28Å; I64-F77 CarbonylContact C-O 3.45Å; I64-F77 VanDerWaalsContact CA-O 3.29Å; I64-F77 WeakPolarHBondContact CA-O 3.39Å; I64-V133 HydrophobicContact CD1-CB 4.37Å; I64-V133 HydrophobicContact CD1-CG2 3.67Å; I64-V133 HydrophobicContact CG1-CG2 4.46Å; I64-S145 WeakPolarHBondContact CD1-OG 3.39Å; I64-V148 HydrophobicContact CB-CG1 4.22Å; I64-V148 HydrophobicContact CD1-CG1 4.22Å; I64-V148 HydrophobicContact CD1-CG2 3.76Å; I64-V148 HydrophobicContact CG1-CG1 3.91Å; I64-V148 HydrophobicContact CG1-CG2 3.82Å; I64-V148 HydrophobicContact CG2-CG1 3.56Å |
| 65 | F | 97.6 | Very high | 96.1 | Very high | 121 Ų | 121 | 51.5 Ų | 51.5 | 53% | 0.531 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 143.1 | 177.1 | 172.8 | -102.1 | 0 | 0 | 0 | 109.7 | S63 R67 V76 F77 | S63-F65 PolarHBondContact O-N 2.73Å; F65-R67 HydrophobicContact CE1-CB 3.92Å; F65-R67 HydrophobicContact CE1-CG 4.46Å; F65-R67 HydrophobicContact CZ-CB 4.19Å; F65-V76 WeakPolarHBondContact O-CA 3.34Å; F65-F77 HydrophobicContact CD1-CD2 4.3Å; F65-F77 PolarHBondContact N-O 3.18Å; F65-F77 PolarHBondContact O-N 3.23Å |
| 66 | A | 98.1 | Very high | 96.5 | Very high | 10 Ų | 10 | 47.3 Ų | 47.3 | 8% | 0.083 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 143.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | I74 E75 V76 L131 V148 V150 | A66-I74 HydrophobicContact CB-CG2 4.31Å; A66-E75 CarbonylContact C-O 3.56Å; A66-E75 WeakPolarHBondContact CA-O 3.42Å; A66-V76 HydrophobicContact CB-CB 4.26Å; A66-V76 HydrophobicContact CB-CG2 4.39Å; A66-L131 HydrophobicContact CB-CD1 4.34Å; A66-V148 HydrophobicContact CB-CG2 4.08Å; A66-V150 HydrophobicContact CB-CB 4.06Å; A66-V150 HydrophobicContact CB-CG1 3.8Å |
| 67 | R | 97.9 | Very high | 96.8 | Very high | 121 Ų | 121 | 45.8 Ų | 45.8 | 46% | 0.457 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 147.7 | 176.1 | 66.8 | 179.8 | -173.1 | 147.6 | -3.5 | 111.2 | F65 I74 E75 F77 | F65-R67 HydrophobicContact CE1-CB 3.92Å; F65-R67 HydrophobicContact CE1-CG 4.46Å; F65-R67 HydrophobicContact CZ-CB 4.19Å; R67-I74 WeakPolarHBondContact O-CA 3.47Å; R67-E75 HydrophobicContact CG-CB 4.16Å; R67-E75 IonicContact CZ-OE2 3.79Å; R67-E75 PolarHBondContact N-O 2.82Å; R67-E75 IonicContact NE-OE2 3.46Å; R67-E75 PolarHBondContact NE-OE2 2.59Å; R67-E75 IonicContact NH2-OE2 2.71Å; R67-E75 PolarHBondContact NH2-OE2 2.84Å; R67-E75 PolarHBondContact O-N 3.37Å; R67-F77 HydrophobicContact CG-CE2 4.22Å |
| 68 | S | 98.1 | Very high | 97 | Very high | 20 Ų | 20 | 46.1 Ų | 46.1 | 14% | 0.14 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 122.1 | 178 | -173.6 | 0 | 0 | 0 | 0 | 111 | S70 T151 T152 R153 | S68-S70 PolarHBondContact OG-O 3.19Å; S68-T151 WeakPolarHBondContact CB-O 3.38Å; S68-T151 PolarHBondContact OG-O 3.24Å; S68-T152 WeakPolarHBondContact OG-CA 3.49Å; S68-R153 PolarHBondContact O-NE 3.06Å; S68-R153 VanDerWaalsContact O-NE 3.11Å; S68-R153 PolarHBondContact O-NH2 2.87Å; S68-R153 VanDerWaalsContact O-NH2 3.16Å; S68-R153 PolarHBondContact OG-N 3.45Å |
| 69 | L | 97.8 | Very high | 97.2 | Very high | 58 Ų | 58 | 44.1 Ų | 44.1 | 30% | 0.304 | 24% | 0.24 | S | C | . | . | trans | -91.3 | -41.1 | 178.6 | -64.6 | -177.5 | 0 | 0 | 0 | 111.7 | D73 E75 K119 | L69-D73 HydrophobicContact CB-CB 3.97Å; L69-D73 PolarHBondContact N-O 3.46Å; L69-E75 HydrophobicContact CD1-CB 3.86Å; L69-E75 HydrophobicContact CD2-CB 4.26Å; L69-E75 HydrophobicContact CG-CB 3.97Å; L69-K119 HydrophobicContact CD1-CD 4.17Å; L69-K119 HydrophobicContact CD1-CG 4.19Å | ||
| 70 | S | 97.8 | Very high | 97.2 | Very high | 11 Ų | 11 | 41.6 Ų | 41.6 | 8% | 0.077 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -149.5 | -169.4 | -179.1 | 76 | 0 | 0 | 0 | 0 | 110.5 | S68 T72 D73 R153 | S68-S70 PolarHBondContact OG-O 3.19Å; S70-T72 PolarHBondContact O-N 3.27Å; S70-T72 PolarHBondContact OG-N 3.21Å; S70-T72 PolarHBondContact OG-OG1 3.16Å; S70-D73 PolarHBondContact N-O 2.9Å; S70-D73 VanDerWaalsContact OG-CB 3.26Å; S70-D73 WeakPolarHBondContact OG-CB 3.49Å; S70-D73 PolarHBondContact OG-N 2.75Å; S70-D73 PolarHBondContact OG-OD2 3.39Å; S70-R153 PolarHBondContact O-N 2.88Å; S70-R153 VanDerWaalsContact O-N 3.16Å |
| 71 | A | 97.8 | Very high | 97 | Very high | 2 Ų | 2 | 39.4 Ų | 39.4 | 2% | 0.017 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -67.8 | -23.5 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | K124 G125 T152 R153 G234 | A71-K124 CarbonylContact O-C 3.53Å; A71-G125 WeakPolarHBondContact O-CA 3.32Å; A71-G125 PolarHBondContact O-N 2.59Å; A71-T152 WeakPolarHBondContact O-CB 3.28Å; A71-R153 WeakPolarHBondContact CA-O 3.36Å; A71-R153 WeakPolarHBondContact CB-O 3.48Å; A71-G234 VanDerWaalsContact CB-O 3.29Å; A71-G234 WeakPolarHBondContact CB-O 3.49Å; A71-G234 PolarHBondContact N-O 3.11Å |
| 72 | T | 97.6 | Very high | 96.5 | Very high | 63 Ų | 63 | 46.5 Ų | 46.5 | 39% | 0.387 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -116.6 | -5.1 | -172.9 | 58.6 | 0 | 0 | 0 | 0 | 113.4 | S70 T121 N122 L123 | S70-T72 PolarHBondContact O-N 3.27Å; S70-T72 PolarHBondContact OG-N 3.21Å; S70-T72 PolarHBondContact OG-OG1 3.16Å; T72-T121 CarbonylContact O-C 3.57Å; T72-T121 WeakPolarHBondContact O-CA 3.47Å; T72-N122 PolarHBondContact O-N 3.37Å; T72-N122 VanDerWaalsContact O-N 3.1Å; T72-L123 WeakPolarHBondContact CA-O 3.23Å; T72-L123 WeakPolarHBondContact CG2-O 3.39Å; T72-L123 WeakPolarHBondContact O-CB 3.43Å; T72-L123 WeakPolarHBondContact O-CG 3.26Å; T72-L123 PolarHBondContact O-N 2.98Å |
| 73 | D | 98 | Very high | 95.8 | Very high | 27 Ų | 27 | 46.8 Ų | 46.8 | 14% | 0.144 | 25% | 0.251 | C | S | . | . | trans | -129.7 | 133.7 | -171.8 | -61.7 | -45.5 | 0 | 0 | 0 | 113.2 | L69 S70 K119 I120 T121 | L69-D73 HydrophobicContact CB-CB 3.97Å; L69-D73 PolarHBondContact N-O 3.46Å; S70-D73 PolarHBondContact N-O 2.9Å; S70-D73 VanDerWaalsContact OG-CB 3.26Å; S70-D73 WeakPolarHBondContact OG-CB 3.49Å; S70-D73 PolarHBondContact OG-N 2.75Å; S70-D73 PolarHBondContact OG-OD2 3.39Å; D73-K119 WeakPolarHBondContact OD1-CE 3.15Å; D73-K119 IonicContact OD1-NZ 2.84Å; D73-K119 VanDerWaalsContact OD2-CE 3.27Å; D73-K119 WeakPolarHBondContact OD2-CE 3.4Å; D73-K119 IonicContact OD2-NZ 2.91Å; D73-K119 PolarHBondContact OD2-NZ 3.39Å; D73-I120 VanDerWaalsContact CA-O 3.29Å; D73-I120 WeakPolarHBondContact CA-O 3.27Å; D73-T121 WeakPolarHBondContact OD1-CA 3.38Å; D73-T121 VanDerWaalsContact OD1-CB 3.29Å; D73-T121 WeakPolarHBondContact OD1-CB 3.46Å; D73-T121 VanDerWaalsContact OD1-CG2 3.23Å; D73-T121 WeakPolarHBondContact OD1-CG2 3.29Å | ||
| 74 | I | 98.4 | Very high | 94.7 | Very high | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 146.7 | 170.2 | -78.7 | 162.9 | 0 | 0 | 0 | 108.8 | A66 R67 K119 I120 L123 Y129 L131 V150 T152 | A66-I74 HydrophobicContact CB-CG2 4.31Å; R67-I74 WeakPolarHBondContact O-CA 3.47Å; I74-K119 CarbonylContact O-C 3.46Å; I74-K119 WeakPolarHBondContact O-CA 3.39Å; I74-I120 PolarHBondContact N-O 3.35Å; I74-I120 PolarHBondContact O-N 2.98Å; I74-L123 HydrophobicContact CB-CD1 3.93Å; I74-L123 HydrophobicContact CD1-CD1 3.56Å; I74-L123 HydrophobicContact CG1-CD1 3.89Å; I74-Y129 HydrophobicContact CD1-CD2 3.95Å; I74-Y129 HydrophobicContact CD1-CG 4.25Å; I74-L131 HydrophobicContact CG2-CD2 4.25Å; I74-V150 HydrophobicContact CD1-CB 4.4Å; I74-V150 HydrophobicContact CD1-CG1 3.46Å; I74-V150 VanDerWaalsContact CD1-CG1 3.46Å; I74-V150 HydrophobicContact CD1-CG2 4.14Å; I74-V150 HydrophobicContact CG1-CG1 4.08Å; I74-V150 HydrophobicContact CG1-CG2 4.14Å; I74-V150 HydrophobicContact CG2-CG1 3.87Å; I74-T152 HydrophobicContact CD1-CG2 3.6Å; I74-T152 HydrophobicContact CG1-CG2 4.02Å |
| 75 | E | 98.3 | Very high | 93.2 | Very high | 38 Ų | 38 | 53.7 Ų | 53.7 | 18% | 0.178 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 131.2 | 168.9 | -165.8 | 177.5 | -151.3 | 0 | 0 | 109.7 | A66 R67 L69 F77 | A66-E75 CarbonylContact C-O 3.56Å; A66-E75 WeakPolarHBondContact CA-O 3.42Å; R67-E75 HydrophobicContact CG-CB 4.16Å; R67-E75 IonicContact CZ-OE2 3.79Å; R67-E75 PolarHBondContact N-O 2.82Å; R67-E75 IonicContact NE-OE2 3.46Å; R67-E75 PolarHBondContact NE-OE2 2.59Å; R67-E75 IonicContact NH2-OE2 2.71Å; R67-E75 PolarHBondContact NH2-OE2 2.84Å; R67-E75 PolarHBondContact O-N 3.37Å; L69-E75 HydrophobicContact CD1-CB 3.86Å; L69-E75 HydrophobicContact CD2-CB 4.26Å; L69-E75 HydrophobicContact CG-CB 3.97Å; E75-F77 HydrophobicContact CB-CE2 4.06Å; E75-F77 HydrophobicContact CG-CD2 4.34Å; E75-F77 HydrophobicContact CG-CE1 4.4Å; E75-F77 HydrophobicContact CG-CE2 3.53Å; E75-F77 HydrophobicContact CG-CZ 3.59Å; E75-F77 WeakPolarHBondContact OE1-CZ 3.47Å; E75-F77 WeakPolarHBondContact OE2-CE2 3.28Å; E75-F77 WeakPolarHBondContact OE2-CZ 3.36Å |
| 76 | V | 98.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 140.4 | -180 | 52.9 | 0 | 0 | 0 | 0 | 110 | I64 F65 A66 W78 V94 S117 T118 I120 L131 V133 | I64-V76 HydrophobicContact CD1-CG2 4.47Å; I64-V76 HydrophobicContact CG1-CG2 4.28Å; F65-V76 WeakPolarHBondContact O-CA 3.34Å; A66-V76 HydrophobicContact CB-CB 4.26Å; A66-V76 HydrophobicContact CB-CG2 4.39Å; V76-W78 HydrophobicContact CG1-CZ3 4.02Å; V76-W78 HydrophobicContact CG2-CE3 4.18Å; V76-W78 HydrophobicContact CG2-CZ3 4.34Å; V76-W78 WeakPolarHBondContact O-CZ3 3.35Å; V76-V94 HydrophobicContact CG1-CG1 4.07Å; V76-S117 CarbonylContact O-C 3.54Å; V76-S117 WeakPolarHBondContact O-CA 3.17Å; V76-S117 WeakPolarHBondContact O-CB 3.49Å; V76-T118 HydrophobicContact CG1-CG2 3.64Å; V76-T118 WeakPolarHBondContact CG1-O 3.45Å; V76-T118 PolarHBondContact N-O 2.95Å; V76-T118 PolarHBondContact O-N 2.79Å; V76-I120 HydrophobicContact CG1-CD1 4.18Å; V76-I120 HydrophobicContact CG1-CG1 4.35Å; V76-L131 HydrophobicContact CB-CD2 4.07Å; V76-L131 HydrophobicContact CG1-CD2 4.24Å; V76-L131 HydrophobicContact CG2-CD2 4.33Å; V76-V133 HydrophobicContact CG2-CG2 4.41Å |
| 77 | F | 98.3 | Very high | 91.2 | Very high | 66 Ų | 66 | 51.5 Ų | 51.5 | 29% | 0.289 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 149.9 | -176.2 | -60.5 | -92.7 | 0 | 0 | 0 | 109.6 | I64 F65 R67 E75 T116 S117 | I64-F77 CarbonylContact C-O 3.45Å; I64-F77 VanDerWaalsContact CA-O 3.29Å; I64-F77 WeakPolarHBondContact CA-O 3.39Å; F65-F77 HydrophobicContact CD1-CD2 4.3Å; F65-F77 PolarHBondContact N-O 3.18Å; F65-F77 PolarHBondContact O-N 3.23Å; R67-F77 HydrophobicContact CG-CE2 4.22Å; E75-F77 HydrophobicContact CB-CE2 4.06Å; E75-F77 HydrophobicContact CG-CD2 4.34Å; E75-F77 HydrophobicContact CG-CE1 4.4Å; E75-F77 HydrophobicContact CG-CE2 3.53Å; E75-F77 HydrophobicContact CG-CZ 3.59Å; E75-F77 WeakPolarHBondContact OE1-CZ 3.47Å; E75-F77 WeakPolarHBondContact OE2-CE2 3.28Å; E75-F77 WeakPolarHBondContact OE2-CZ 3.36Å; F77-T116 WeakPolarHBondContact CA-O 3.37Å; F77-S117 VanDerWaalsContact CD1-CB 3.42Å |
| 78 | W | 97.8 | Very high | 90.6 | Very high | 11 Ų | 11 | 54.9 Ų | 54.9 | 4% | 0.042 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 173.6 | 173.7 | 56.5 | 94.6 | 0 | 0 | 0 | 110.3 | P61 V76 Y92 V94 T111 Q115 T116 T118 V133 | P61-W78 HydrophobicContact CB-CB 4.15Å; P61-W78 HydrophobicContact CB-CG 4.29Å; V76-W78 HydrophobicContact CG1-CZ3 4.02Å; V76-W78 HydrophobicContact CG2-CE3 4.18Å; V76-W78 HydrophobicContact CG2-CZ3 4.34Å; V76-W78 WeakPolarHBondContact O-CZ3 3.35Å; W78-Y92 AromaticContact CD1-CD1 3.75Å; W78-Y92 AromaticContact CD1-CE1 3.77Å; W78-Y92 AromaticContact CE2-CD2 3.74Å; W78-Y92 AromaticContact CE2-CG 3.61Å; W78-Y92 AromaticContact CZ2-CD2 3.76Å; W78-Y92 HydrophobicContact CZ2-CD2 3.76Å; W78-Y92 AromaticContact CZ2-CG 3.79Å; W78-Y92 HydrophobicContact CZ2-CG 3.79Å; W78-Y92 AromaticContact NE1-CD1 3.2Å; W78-Y92 AromaticContact NE1-CD2 3.13Å; W78-Y92 AromaticContact NE1-CE1 3.48Å; W78-Y92 AromaticContact NE1-CE2 3.4Å; W78-Y92 AromaticContact NE1-CG 3.03Å; W78-Y92 AromaticContact NE1-CZ 3.58Å; W78-V94 HydrophobicContact CH2-CG2 3.75Å; W78-V94 HydrophobicContact CZ3-CG2 3.81Å; W78-T111 HydrophobicContact CH2-CG2 3.74Å; W78-T111 HydrophobicContact CZ2-CG2 3.94Å; W78-Q115 VanDerWaalsContact CZ2-O 3.32Å; W78-Q115 WeakPolarHBondContact CZ2-O 3.48Å; W78-T116 PolarHBondContact N-O 2.93Å; W78-T116 VanDerWaalsContact O-CB 3.25Å; W78-T116 WeakPolarHBondContact O-CB 3.33Å; W78-T118 HydrophobicContact CH2-CG2 3.92Å; W78-T118 HydrophobicContact CZ3-CG2 4.02Å; W78-V133 HydrophobicContact CD2-CG1 3.92Å; W78-V133 HydrophobicContact CD2-CG2 4.26Å; W78-V133 HydrophobicContact CE3-CG1 4.3Å; W78-V133 HydrophobicContact CE3-CG2 3.93Å; W78-V133 HydrophobicContact CG-CG1 4.18Å; W78-V133 HydrophobicContact CZ2-CG1 4.45Å; W78-V133 HydrophobicContact CZ3-CG2 4.42Å |
| 79 | A | 96.3 | Very high | 90.3 | Very high | 36 Ų | 36 | 55.7 Ų | 55.7 | 30% | 0.298 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 142.6 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | P61 A62 | P61-A79 WeakPolarHBondContact CA-O 3.42Å; A62-A79 HydrophobicContact CB-CB 4.3Å; A62-A79 PolarHBondContact N-O 3.18Å; A62-A79 PolarHBondContact O-N 2.94Å |
| 80 | S | 93.6 | Very high | 90.1 | Very high | 50 Ų | 50 | 57.2 Ų | 57.2 | 35% | 0.35 | 29% | 0.286 | S | S | . | . | trans | -58.9 | 138.1 | 174.5 | -174.1 | 0 | 0 | 0 | 0 | 110.7 | L82 I89 Y92 | S80-L82 PolarHBondContact O-N 3.28Å; S80-I89 WeakPolarHBondContact OG-CD1 3.17Å; S80-Y92 VanDerWaalsContact CA-OH 3.31Å; S80-Y92 WeakPolarHBondContact CA-OH 3.38Å; S80-Y92 WeakPolarHBondContact CB-OH 3.26Å; S80-Y92 PolarHBondContact OG-OH 3.22Å | ||
| 81 | P | 91.2 | Very high | 90 | Very high | 10 Ų | 10 | 56.7 Ų | 56.7 | 7% | 0.065 | 28% | 0.282 | C | S | . | . | trans | -60.4 | 136.2 | 171.6 | 20 | -25.6 | 0 | 0 | 0 | 110.6 | K59 E83 I89 A135 | K59-P81 HydrophobicContact CB-CB 3.7Å; K59-P81 WeakPolarHBondContact O-CB 3.47Å; P81-E83 PolarHBondContact O-N 2.99Å; P81-I89 HydrophobicContact CG-CD1 3.61Å; P81-A135 HydrophobicContact CG-CB 3.97Å | ||
| 82 | L | 85.1 | Confident | 90 | Very high | 154 Ų | 154 | 56.8 Ų | 56.8 | 81% | 0.806 | 28% | 0.282 | S | S | * | . | trans | -83 | 89.5 | 174.8 | -68.4 | 173.2 | 0 | 0 | 0 | 109.4 | K59 S80 | K59-L82 WeakPolarHBondContact CD-O 3.08Å; K59-L82 PolarHBondContact NZ-O 2.75Å; S80-L82 PolarHBondContact O-N 3.28Å | ||
| 83 | E | 80 | Confident | 90.1 | Very high | 54 Ų | 54 | 54.4 Ų | 54.4 | 25% | 0.252 | 27% | 0.266 | S | S | . | . | trans | -133.4 | 139.9 | -179.1 | -152 | 165.1 | -106.7 | 0 | 0 | 111 | P57 T58 K59 P81 R86 | P57-E83 WeakPolarHBondContact CA-OE2 3.23Å; T58-E83 WeakPolarHBondContact CA-OE1 2.97Å; T58-E83 WeakPolarHBondContact CB-OE1 3.37Å; T58-E83 PolarHBondContact N-OE1 2.89Å; T58-E83 VanDerWaalsContact N-OE1 3.13Å; T58-E83 PolarHBondContact N-OE2 3.13Å; T58-E83 PolarHBondContact OG1-OE1 2.52Å; K59-E83 WeakPolarHBondContact CG-OE1 3.37Å; K59-E83 PolarHBondContact N-OE1 2.94Å; P81-E83 PolarHBondContact O-N 2.99Å; E83-R86 WeakPolarHBondContact OE2-CD 3.46Å | ||
| 84 | K | 73.4 | Confident | 90.1 | Very high | 179 Ų | 179 | 53.1 Ų | 53.1 | 78% | 0.778 | 26% | 0.259 | S | S | * | . | trans | -117.2 | 146 | -179.1 | -64.5 | -175.2 | -180 | -177.9 | 0 | 109.1 | ||||
| 85 | N | 66.7 | Low | 90 | Very high | 95 Ų | 95 | 54.3 Ų | 54.3 | 51% | 0.508 | 27% | 0.265 | S | S | . | . | S | Bend | trans | 63.2 | 38.5 | 167.7 | -46.3 | -36.4 | 0 | 0 | 0 | 115.4 | P25 | P25-N85 CarbonylContact C-O 3.58Š|
| 86 | R | 74.1 | Confident | 90 | Very high | 63 Ų | 63 | 53.6 Ų | 53.6 | 24% | 0.238 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -127.4 | 8.7 | 174.4 | -73.3 | -177.9 | 159.9 | -78 | -18.6 | 114.2 | E55 E83 N137 | E55-R86 VanDerWaalsContact CB-NH1 3.25Å; E55-R86 PolarHBondContact N-O 2.85Å; E55-R86 IonicContact OE2-CZ 3.88Å; E55-R86 IonicContact OE2-NH1 3.11Å; E55-R86 PolarHBondContact OE2-NH1 2.83Å; E55-R86 IonicContact OE2-NH2 3.63Å; E55-R86 PolarHBondContact OE2-NH2 2.91Å; E83-R86 WeakPolarHBondContact OE2-CD 3.46Å; R86-N137 PolarHBondContact O-ND2 2.81Å |
| 87 | G | 78.5 | Confident | 90 | Very high | 22 Ų | 22 | 54.7 Ų | 54.7 | 23% | 0.227 | 26% | 0.264 | C | S | . | . | trans | 103.9 | 169.1 | -172.2 | 0 | 0 | 0 | 0 | 0 | 112 | F26 E54 | F26-G87 VanDerWaalsContact CB-N 3.33Å; E54-G87 WeakPolarHBondContact OE1-CA 3.33Å | ||
| 88 | R | 86.4 | Confident | 90 | Very high | 193 Ų | 193 | 54.6 Ų | 54.6 | 73% | 0.728 | 26% | 0.262 | S | S | * | . | trans | -88.3 | 129.1 | 179.7 | -179.1 | 177.6 | 175.8 | 170 | -0 | 109.3 | E54 Q90 N137 | E54-R88 PolarHBondContact OE1-N 2.86Å; R88-Q90 PolarHBondContact O-N 3.42Å; R88-N137 WeakPolarHBondContact O-CB 3.49Å | ||
| 89 | I | 91.8 | Very high | 89.9 | Confident | 37 Ų | 37 | 59.5 Ų | 59.5 | 19% | 0.19 | 29% | 0.286 | C | S | . | . | trans | -59.6 | 123.5 | 170 | -63.2 | 172.4 | 0 | 0 | 0 | 108.5 | S80 P81 G91 Y92 A135 | S80-I89 WeakPolarHBondContact OG-CD1 3.17Å; P81-I89 HydrophobicContact CG-CD1 3.61Å; I89-G91 WeakPolarHBondContact CG2-O 3.26Å; I89-Y92 HydrophobicContact CG2-CE1 4.22Å; I89-Y92 HydrophobicContact CG2-CE2 4.31Å; I89-A135 HydrophobicContact CD1-CB 4.29Å; I89-A135 HydrophobicContact CG2-CB 4.33Å | ||
| 90 | Q | 93.7 | Very high | 89.9 | Confident | 90 Ų | 90 | 65.1 Ų | 65.1 | 42% | 0.421 | 31% | 0.306 | S | S | . | . | trans | -92.9 | -18.5 | 179.9 | -67.4 | -172.4 | -4.1 | 0 | 0 | 112.3 | R88 G113 Y136 | R88-Q90 PolarHBondContact O-N 3.42Å; Q90-G113 WeakPolarHBondContact O-CA 3.25Å; Q90-G113 PolarHBondContact O-N 2.92Å; Q90-Y136 HydrophobicContact CB-CD2 4.15Å; Q90-Y136 HydrophobicContact CB-CE2 3.78Å; Q90-Y136 PolarHBondContact N-O 2.95Å | ||
| 91 | G | 95.9 | Very high | 90 | Very high | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 166.8 | -163 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | I89 T111 Y136 | I89-G91 WeakPolarHBondContact CG2-O 3.26Å; G91-T111 WeakPolarHBondContact CA-O 3.14Å; G91-Y136 PolarHBondContact N-O 2.98Å; G91-Y136 WeakPolarHBondContact O-CD1 3.25Å; G91-Y136 PolarHBondContact O-N 2.96Å |
| 92 | Y | 97.7 | Very high | 90.1 | Very high | 4 Ų | 4 | 72 Ų | 72 | 2% | 0.016 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 144.7 | -178.7 | -54.8 | -91.4 | 0 | 0 | 0 | 111.7 | P61 W78 S80 I89 R110 T111 Q115 T116 V133 K134 A135 | P61-Y92 HydrophobicContact CG-CD1 3.93Å; P61-Y92 HydrophobicContact CG-CE1 4.19Å; W78-Y92 AromaticContact CD1-CD1 3.75Å; W78-Y92 AromaticContact CD1-CE1 3.77Å; W78-Y92 AromaticContact CE2-CD2 3.74Å; W78-Y92 AromaticContact CE2-CG 3.61Å; W78-Y92 AromaticContact CZ2-CD2 3.76Å; W78-Y92 HydrophobicContact CZ2-CD2 3.76Å; W78-Y92 AromaticContact CZ2-CG 3.79Å; W78-Y92 HydrophobicContact CZ2-CG 3.79Å; W78-Y92 AromaticContact NE1-CD1 3.2Å; W78-Y92 AromaticContact NE1-CD2 3.13Å; W78-Y92 AromaticContact NE1-CE1 3.48Å; W78-Y92 AromaticContact NE1-CE2 3.4Å; W78-Y92 AromaticContact NE1-CG 3.03Å; W78-Y92 AromaticContact NE1-CZ 3.58Å; S80-Y92 VanDerWaalsContact CA-OH 3.31Å; S80-Y92 WeakPolarHBondContact CA-OH 3.38Å; S80-Y92 WeakPolarHBondContact CB-OH 3.26Å; S80-Y92 PolarHBondContact OG-OH 3.22Å; I89-Y92 HydrophobicContact CG2-CE1 4.22Å; I89-Y92 HydrophobicContact CG2-CE2 4.31Å; Y92-R110 CarbonylContact O-C 3.56Å; Y92-R110 VanDerWaalsContact O-CA 3.26Å; Y92-R110 WeakPolarHBondContact O-CA 3.37Å; Y92-T111 PolarHBondContact N-OG1 3Å; Y92-T111 PolarHBondContact O-N 2.76Å; Y92-Q115 VanDerWaalsContact CD2-O 3.28Å; Y92-Q115 WeakPolarHBondContact CD2-O 3.31Å; Y92-T116 HydrophobicContact CE2-CG2 4.18Å; Y92-V133 HydrophobicContact CD1-CG1 4.24Å; Y92-V133 HydrophobicContact CG-CG1 4.36Å; Y92-K134 CarbonylContact C-O 3.54Å; Y92-K134 WeakPolarHBondContact CA-O 3.35Å; Y92-K134 WeakPolarHBondContact CB-O 3.07Å; Y92-A135 HydrophobicContact CD1-CB 3.94Å; Y92-A135 HydrophobicContact CE1-CB 3.9Å |
| 93 | E | 97.9 | Very high | 90.5 | Very high | 12 Ų | 12 | 69.1 Ų | 69.1 | 6% | 0.056 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 114.1 | 171.4 | -177.8 | 172.5 | 112.5 | 0 | 0 | 108.7 | K108 I109 R110 V133 K134 | E93-K108 HydrophobicContact CG-CB 4.37Å; E93-K108 HydrophobicContact CG-CD 4.44Å; E93-K108 WeakPolarHBondContact OE1-CD 3.14Å; E93-K108 WeakPolarHBondContact OE1-CE 3.32Å; E93-K108 IonicContact OE1-NZ 2.84Å; E93-K108 PolarHBondContact OE1-NZ 3.42Å; E93-I109 CarbonylContact C-O 3.54Å; E93-I109 WeakPolarHBondContact CA-O 3.38Å; E93-R110 HydrophobicContact CB-CG 4.2Å; E93-R110 HydrophobicContact CG-CG 4.26Å; E93-R110 IonicContact OE2-CZ 2.82Å; E93-R110 IonicContact OE2-NE 3.33Å; E93-R110 PolarHBondContact OE2-NE 3Å; E93-R110 IonicContact OE2-NH2 2.59Å; E93-R110 PolarHBondContact OE2-NH2 2.86Å; E93-V133 CarbonylContact O-C 3.57Å; E93-V133 WeakPolarHBondContact O-CA 3.32Å; E93-K134 PolarHBondContact N-O 2.91Å; E93-K134 PolarHBondContact O-N 2.92Å |
| 94 | V | 98.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 74.6 Ų | 74.6 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 118.6 | 173.6 | -174.9 | 0 | 0 | 0 | 0 | 108.3 | V76 W78 K108 I109 T118 I120 V133 | V76-V94 HydrophobicContact CG1-CG1 4.07Å; W78-V94 HydrophobicContact CH2-CG2 3.75Å; W78-V94 HydrophobicContact CZ3-CG2 3.81Å; V94-K108 CarbonylContact O-C 3.55Å; V94-K108 VanDerWaalsContact O-CA 3.29Å; V94-K108 WeakPolarHBondContact O-CA 3.3Å; V94-I109 PolarHBondContact N-O 2.8Å; V94-I109 PolarHBondContact O-N 3.03Å; V94-T118 HydrophobicContact CB-CG2 4.39Å; V94-T118 HydrophobicContact CG2-CG2 3.67Å; V94-I120 HydrophobicContact CG1-CD1 4.11Å; V94-V133 HydrophobicContact CB-CG2 4.44Å; V94-V133 HydrophobicContact CG1-CG2 4.24Å; V94-V133 HydrophobicContact CG2-CG1 4.25Å; V94-V133 HydrophobicContact CG2-CG2 3.97Å |
| 95 | K | 97.6 | Very high | 92.1 | Very high | 27 Ų | 27 | 71.8 Ų | 71.8 | 12% | 0.117 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 140.5 | 168.8 | 57.8 | 168.3 | -179.6 | 177.6 | 0 | 110.1 | W97 E103 A106 R107 L131 A132 S144 | K95-W97 HydrophobicContact CD-CZ3 3.95Å; K95-W97 HydrophobicContact CG-CZ3 4.06Å; K95-E103 IonicContact NZ-OE1 2.83Å; K95-E103 PolarHBondContact NZ-OE1 2.85Å; K95-A106 HydrophobicContact CB-CB 4.29Å; K95-R107 CarbonylContact C-O 3.56Å; K95-R107 VanDerWaalsContact CA-O 3.3Å; K95-R107 WeakPolarHBondContact CA-O 3.41Å; K95-L131 VanDerWaalsContact O-CA 3.29Å; K95-L131 WeakPolarHBondContact O-CA 3.47Å; K95-A132 HydrophobicContact CD-CB 4.33Å; K95-A132 HydrophobicContact CG-CB 4.07Å; K95-A132 VanDerWaalsContact CG-O 3.28Å; K95-A132 WeakPolarHBondContact CG-O 3.36Å; K95-A132 PolarHBondContact N-O 2.91Å; K95-A132 PolarHBondContact O-N 3.2Å; K95-S144 VanDerWaalsContact CE-OG 3.32Å; K95-S144 WeakPolarHBondContact CE-OG 3.48Å; K95-S144 PolarHBondContact NZ-OG 2.9Å |
| 96 | Y | 98.1 | Very high | 93.6 | Very high | 22 Ų | 22 | 68.2 Ų | 68.2 | 9% | 0.086 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 144.2 | 177.3 | 67.7 | -77.4 | 0 | 0 | 0 | 112.3 | A106 R107 I109 I120 L123 Y129 H130 | Y96-A106 CarbonylContact O-C 3.54Å; Y96-A106 WeakPolarHBondContact O-CA 3.44Å; Y96-R107 HydrophobicContact CD1-CB 4.06Å; Y96-R107 WeakPolarHBondContact CD1-O 3.29Å; Y96-R107 HydrophobicContact CD2-CB 4.44Å; Y96-R107 HydrophobicContact CE1-CB 3.44Å; Y96-R107 VanDerWaalsContact CE1-CB 3.44Å; Y96-R107 HydrophobicContact CE2-CB 3.9Å; Y96-R107 HydrophobicContact CE2-CG 4.49Å; Y96-R107 PolarHBondContact N-O 2.81Å; Y96-R107 PolarHBondContact O-N 2.82Å; Y96-R107 WeakPolarHBondContact OH-CD 3.41Å; Y96-I109 HydrophobicContact CD1-CD1 4.39Å; Y96-I109 HydrophobicContact CE1-CD1 3.62Å; Y96-I109 HydrophobicContact CE1-CG1 3.97Å; Y96-I120 HydrophobicContact CD1-CD1 3.93Å; Y96-I120 HydrophobicContact CD1-CG2 4.29Å; Y96-I120 HydrophobicContact CD2-CG2 3.98Å; Y96-I120 HydrophobicContact CE1-CD1 4.47Å; Y96-I120 HydrophobicContact CE1-CG2 3.96Å; Y96-I120 HydrophobicContact CE2-CG2 3.6Å; Y96-I120 HydrophobicContact CG-CD1 3.95Å; Y96-I120 HydrophobicContact CG-CG2 4.3Å; Y96-L123 HydrophobicContact CD2-CD2 4.12Å; Y96-L123 HydrophobicContact CE2-CD2 3.64Å; Y96-Y129 HydrophobicContact CD2-CD1 4.3Å; Y96-H130 WeakPolarHBondContact CA-O 3.43Å |
| 97 | W | 97.9 | Very high | 94.7 | Very high | 23 Ų | 23 | 72.6 Ų | 72.6 | 9% | 0.087 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 156.5 | 179.2 | 63.1 | 105.5 | 0 | 0 | 0 | 110.4 | K95 E103 A106 Y129 H130 T147 | K95-W97 HydrophobicContact CD-CZ3 3.95Å; K95-W97 HydrophobicContact CG-CZ3 4.06Å; W97-E103 HydrophobicContact CD2-CB 4.29Å; W97-E103 HydrophobicContact CD2-CG 4.19Å; W97-E103 HydrophobicContact CE3-CG 4.2Å; W97-E103 HydrophobicContact CH2-CG 3.9Å; W97-E103 HydrophobicContact CZ2-CB 4.09Å; W97-E103 HydrophobicContact CZ2-CG 3.83Å; W97-E103 HydrophobicContact CZ3-CG 4.09Å; W97-A106 HydrophobicContact CB-CB 4.03Å; W97-A106 HydrophobicContact CD2-CB 4.28Å; W97-A106 HydrophobicContact CE3-CB 3.76Å; W97-A106 HydrophobicContact CG-CB 4.43Å; W97-Y129 WeakPolarHBondContact O-CA 3.29Å; W97-H130 AromaticContact CD1-CD2 3.96Å; W97-H130 HydrophobicContact CD2-CB 3.79Å; W97-H130 AromaticContact CE2-CG 3.99Å; W97-H130 HydrophobicContact CE3-CB 4.22Å; W97-H130 HydrophobicContact CG-CB 4.37Å; W97-H130 HydrophobicContact CH2-CB 3.9Å; W97-H130 HydrophobicContact CZ2-CB 3.45Å; W97-H130 VanDerWaalsContact CZ2-CB 3.45Å; W97-H130 HydrophobicContact CZ3-CB 4.25Å; W97-H130 PolarHBondContact N-O 3.17Å; W97-H130 AromaticContact NE1-CD2 3.46Å; W97-H130 PolarHBondContact NE1-CD2 3.29Å; W97-H130 AromaticContact NE1-CG 3.91Å; W97-H130 PolarHBondContact O-N 3.16Å; W97-T147 HydrophobicContact CH2-CG2 3.9Å; W97-T147 HydrophobicContact CZ2-CG2 4.15Å |
| 98 | R | 97.7 | Very high | 95.6 | Very high | 64 Ų | 64 | 77.9 Ų | 77.9 | 24% | 0.242 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 154.1 | 173.7 | -63.6 | 179.6 | -62.5 | 153.1 | 2.8 | 109.5 | E100 D101 L128 Y129 | R98-E100 IonicContact NH1-OE2 3.54Å; R98-E100 PolarHBondContact O-N 2.94Å; R98-E100 VanDerWaalsContact O-N 3.13Å; R98-D101 HydrophobicContact CB-CB 4.45Å; R98-D101 WeakPolarHBondContact CB-OD2 3.42Å; R98-D101 IonicContact CZ-OD1 3.69Å; R98-D101 IonicContact CZ-OD2 3.62Å; R98-D101 IonicContact NE-OD1 2.68Å; R98-D101 IonicContact NE-OD2 3.74Å; R98-D101 PolarHBondContact NE-OD2 2.79Å; R98-D101 IonicContact NH2-OD1 3.86Å; R98-D101 PolarHBondContact NH2-OD1 3.48Å; R98-D101 IonicContact NH2-OD2 2.81Å; R98-D101 PolarHBondContact NH2-OD2 2.86Å; R98-D101 PolarHBondContact O-N 3.01Å; R98-L128 WeakPolarHBondContact CA-O 3.38Å; R98-Y129 HydrophobicContact CB-CE1 4.42Å; R98-Y129 HydrophobicContact CG-CD1 3.92Å; R98-Y129 HydrophobicContact CG-CE1 3.3Å; R98-Y129 HydrophobicContact CG-CE2 4.33Å |
| 99 | H | 97 | Very high | 96.1 | Very high | 115 Ų | 115 | 70.7 Ų | 70.7 | 53% | 0.532 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | -32.3 | 175.7 | -175.1 | 84.5 | 0 | 0 | 0 | 113.6 | L128 H130 | H99-L128 HydrophobicContact CB-CB 3.92Å; H99-L128 HydrophobicContact CB-CD2 3.95Å; H99-L128 HydrophobicContact CB-CG 4.02Å; H99-L128 PolarHBondContact N-O 2.97Å; H99-H130 AromaticContact CG-NE2 3.78Å; H99-H130 AromaticContact ND1-CE1 3.58Å; H99-H130 AromaticContact ND1-NE2 3.06Å; H99-H130 PolarHBondContact ND1-NE2 3.18Å |
| 100 | E | 95.6 | Very high | 96.3 | Very high | 154 Ų | 154 | 76 Ų | 76 | 72% | 0.72 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | -18.7 | 178.5 | -60.2 | 171.1 | 172.3 | 0 | 0 | 113.4 | R98 | R98-E100 IonicContact NH1-OE2 3.54Å; R98-E100 PolarHBondContact O-N 2.94Å; R98-E100 VanDerWaalsContact O-N 3.13Å |
| 101 | D | 95.8 | Very high | 96.4 | Very high | 58 Ų | 58 | 71.9 Ų | 71.9 | 31% | 0.31 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -93 | 151.7 | -176.7 | -60.1 | -36.7 | 0 | 0 | 0 | 110.4 | R98 | R98-D101 HydrophobicContact CB-CB 4.45Å; R98-D101 WeakPolarHBondContact CB-OD2 3.42Å; R98-D101 IonicContact CZ-OD1 3.69Å; R98-D101 IonicContact CZ-OD2 3.62Å; R98-D101 IonicContact NE-OD1 2.68Å; R98-D101 IonicContact NE-OD2 3.74Å; R98-D101 PolarHBondContact NE-OD2 2.79Å; R98-D101 IonicContact NH2-OD1 3.86Å; R98-D101 PolarHBondContact NH2-OD1 3.48Å; R98-D101 IonicContact NH2-OD2 2.81Å; R98-D101 PolarHBondContact NH2-OD2 2.86Å; R98-D101 PolarHBondContact O-N 3.01Å |
| 102 | K | 93.3 | Very high | 96.3 | Very high | 145 Ų | 145 | 77.3 Ų | 77.3 | 63% | 0.63 | 36% | 0.357 | S | S | * | . | trans | -71.8 | 143.7 | 170.1 | -66.2 | -174.2 | 178.5 | -176.1 | 0 | 110.8 | E104 N105 | K102-E104 PolarHBondContact O-N 3.47Å; K102-N105 PolarHBondContact O-N 2.89Å | ||
| 103 | E | 93.4 | Very high | 96 | Very high | 94 Ų | 94 | 78.3 Ų | 78.3 | 44% | 0.439 | 37% | 0.368 | S | S | . | . | G | 310 helix | trans | -58.2 | -29.9 | 177.2 | -177.2 | 177.9 | 165.7 | 0 | 0 | 113 | K95 W97 N105 A106 | K95-E103 IonicContact NZ-OE1 2.83Å; K95-E103 PolarHBondContact NZ-OE1 2.85Å; W97-E103 HydrophobicContact CD2-CB 4.29Å; W97-E103 HydrophobicContact CD2-CG 4.19Å; W97-E103 HydrophobicContact CE3-CG 4.2Å; W97-E103 HydrophobicContact CH2-CG 3.9Å; W97-E103 HydrophobicContact CZ2-CB 4.09Å; W97-E103 HydrophobicContact CZ2-CG 3.83Å; W97-E103 HydrophobicContact CZ3-CG 4.09Å; E103-N105 PolarHBondContact O-N 2.92Å; E103-N105 VanDerWaalsContact O-N 3.16Å; E103-A106 WeakPolarHBondContact O-CB 3.33Å; E103-A106 PolarHBondContact O-N 2.84Å |
| 104 | E | 93.6 | Very high | 95.6 | Very high | 169 Ų | 169 | 84.5 Ų | 84.5 | 79% | 0.79 | 40% | 0.401 | S | S | * | . | G | 310 helix | trans | -57.5 | -28.4 | 175.1 | -65.8 | 166 | -168.8 | 0 | 0 | 112.8 | K102 A106 | K102-E104 PolarHBondContact O-N 3.47Å; E104-A106 VanDerWaalsContact C-N 3.31Å |
| 105 | N | 94.2 | Very high | 95.5 | Very high | 120 Ų | 120 | 89 Ų | 89 | 64% | 0.642 | 42% | 0.422 | S | S | * | . | G | 310 helix | trans | -93.1 | 12.2 | 177.6 | -63.4 | -35.1 | 0 | 0 | 0 | 112.7 | K102 E103 R107 | K102-N105 PolarHBondContact O-N 2.89Å; E103-N105 PolarHBondContact O-N 2.92Å; E103-N105 VanDerWaalsContact O-N 3.16Å; N105-R107 PolarHBondContact O-N 3.09Å |
| 106 | A | 96.5 | Very high | 95.4 | Very high | 20 Ų | 20 | 90.2 Ų | 90.2 | 17% | 0.165 | 43% | 0.432 | C | S | . | . | trans | -60.4 | 134.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | K95 Y96 W97 E103 E104 | K95-A106 HydrophobicContact CB-CB 4.29Å; Y96-A106 CarbonylContact O-C 3.54Å; Y96-A106 WeakPolarHBondContact O-CA 3.44Å; W97-A106 HydrophobicContact CB-CB 4.03Å; W97-A106 HydrophobicContact CD2-CB 4.28Å; W97-A106 HydrophobicContact CE3-CB 3.76Å; W97-A106 HydrophobicContact CG-CB 4.43Å; E103-A106 WeakPolarHBondContact O-CB 3.33Å; E103-A106 PolarHBondContact O-N 2.84Å; E104-A106 VanDerWaalsContact C-N 3.31Å | ||
| 107 | R | 97.5 | Very high | 95.4 | Very high | 156 Ų | 156 | 90.7 Ų | 90.7 | 59% | 0.589 | 44% | 0.439 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 155 | 170.8 | -65.7 | -179.1 | -175.3 | -176.1 | 2 | 109.3 | K95 Y96 N105 | K95-R107 CarbonylContact C-O 3.56Å; K95-R107 VanDerWaalsContact CA-O 3.3Å; K95-R107 WeakPolarHBondContact CA-O 3.41Å; Y96-R107 HydrophobicContact CD1-CB 4.06Å; Y96-R107 WeakPolarHBondContact CD1-O 3.29Å; Y96-R107 HydrophobicContact CD2-CB 4.44Å; Y96-R107 HydrophobicContact CE1-CB 3.44Å; Y96-R107 VanDerWaalsContact CE1-CB 3.44Å; Y96-R107 HydrophobicContact CE2-CB 3.9Å; Y96-R107 HydrophobicContact CE2-CG 4.49Å; Y96-R107 PolarHBondContact N-O 2.81Å; Y96-R107 PolarHBondContact O-N 2.82Å; Y96-R107 WeakPolarHBondContact OH-CD 3.41Å; N105-R107 PolarHBondContact O-N 3.09Å |
| 108 | K | 97.2 | Very high | 95.4 | Very high | 132 Ų | 132 | 90.6 Ų | 90.6 | 57% | 0.574 | 44% | 0.441 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 138.2 | -174.9 | -63.6 | 176.3 | 172.8 | -153.3 | 0 | 111.3 | E93 V94 | E93-K108 HydrophobicContact CG-CB 4.37Å; E93-K108 HydrophobicContact CG-CD 4.44Å; E93-K108 WeakPolarHBondContact OE1-CD 3.14Å; E93-K108 WeakPolarHBondContact OE1-CE 3.32Å; E93-K108 IonicContact OE1-NZ 2.84Å; E93-K108 PolarHBondContact OE1-NZ 3.42Å; V94-K108 CarbonylContact O-C 3.55Å; V94-K108 VanDerWaalsContact O-CA 3.29Å; V94-K108 WeakPolarHBondContact O-CA 3.3Å |
| 109 | I | 97.1 | Very high | 95.4 | Very high | 43 Ų | 43 | 92.4 Ų | 92.4 | 22% | 0.221 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 135.9 | 172.5 | -67.8 | 162.1 | 0 | 0 | 0 | 107.6 | E93 V94 Y96 I120 | E93-I109 CarbonylContact C-O 3.54Å; E93-I109 WeakPolarHBondContact CA-O 3.38Å; V94-I109 PolarHBondContact N-O 2.8Å; V94-I109 PolarHBondContact O-N 3.03Å; Y96-I109 HydrophobicContact CD1-CD1 4.39Å; Y96-I109 HydrophobicContact CE1-CD1 3.62Å; Y96-I109 HydrophobicContact CE1-CG1 3.97Å; I109-I120 HydrophobicContact CD1-CB 4.24Å; I109-I120 HydrophobicContact CD1-CG1 3.9Å; I109-I120 HydrophobicContact CD1-CG2 3.92Å |
| 110 | R | 96.6 | Very high | 95.4 | Very high | 148 Ų | 148 | 87 Ų | 87 | 56% | 0.558 | 43% | 0.425 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 133.6 | 175.1 | -71.4 | -173.8 | 175.6 | -174 | -2.6 | 110.9 | Y92 E93 Y136 | Y92-R110 CarbonylContact O-C 3.56Å; Y92-R110 VanDerWaalsContact O-CA 3.26Å; Y92-R110 WeakPolarHBondContact O-CA 3.37Å; E93-R110 HydrophobicContact CB-CG 4.2Å; E93-R110 HydrophobicContact CG-CG 4.26Å; E93-R110 IonicContact OE2-CZ 2.82Å; E93-R110 IonicContact OE2-NE 3.33Å; E93-R110 PolarHBondContact OE2-NE 3Å; E93-R110 IonicContact OE2-NH2 2.59Å; E93-R110 PolarHBondContact OE2-NH2 2.86Å; R110-Y136 HydrophobicContact CB-CE1 4.41Å; R110-Y136 HydrophobicContact CG-CE1 4.38Å |
| 111 | T | 96.4 | Very high | 95.5 | Very high | 4 Ų | 4 | 82.5 Ų | 82.5 | 3% | 0.025 | 41% | 0.408 | C | S | . | . | trans | -94.9 | 163.2 | 165.3 | 70 | 0 | 0 | 0 | 0 | 110.2 | W78 G91 Y92 Q115 T118 Y136 | W78-T111 HydrophobicContact CH2-CG2 3.74Å; W78-T111 HydrophobicContact CZ2-CG2 3.94Å; G91-T111 WeakPolarHBondContact CA-O 3.14Å; Y92-T111 PolarHBondContact N-OG1 3Å; Y92-T111 PolarHBondContact O-N 2.76Å; T111-Q115 PolarHBondContact OG1-O 2.79Å; T111-T118 HydrophobicContact CG2-CG2 4.35Å; T111-Y136 PolarHBondContact O-OH 2.8Å | ||
| 112 | V | 94 | Very high | 95.6 | Very high | 114 Ų | 114 | 86 Ų | 86 | 69% | 0.691 | 43% | 0.427 | S | S | * | . | trans | -121.5 | 143.8 | 180 | -178 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 113 | G | 91.1 | Very high | 95.8 | Very high | 24 Ų | 24 | 79.7 Ų | 79.7 | 25% | 0.247 | 40% | 0.4 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 69.5 | -136.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q90 Q115 | Q90-G113 WeakPolarHBondContact O-CA 3.25Å; Q90-G113 PolarHBondContact O-N 2.92Å; G113-Q115 VanDerWaalsContact C-N 3.33Å |
| 114 | N | 89.8 | Confident | 95.9 | Very high | 142 Ų | 142 | 81.2 Ų | 81.2 | 76% | 0.759 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.9 | 16.7 | -176.8 | 64.9 | -21.9 | 0 | 0 | 0 | 113.1 | T116 | N114-T116 WeakPolarHBondContact O-CG2 3.18Å; N114-T116 PolarHBondContact O-N 3.05Å |
| 115 | Q | 94.6 | Very high | 96.1 | Very high | 94 Ų | 94 | 74.1 Ų | 74.1 | 44% | 0.439 | 38% | 0.378 | S | S | . | . | trans | -69.8 | 113.6 | 179.6 | -171.7 | -178.2 | 14.5 | 0 | 0 | 110.1 | W78 Y92 T111 G113 S117 | W78-Q115 VanDerWaalsContact CZ2-O 3.32Å; W78-Q115 WeakPolarHBondContact CZ2-O 3.48Å; Y92-Q115 VanDerWaalsContact CD2-O 3.28Å; Y92-Q115 WeakPolarHBondContact CD2-O 3.31Å; T111-Q115 PolarHBondContact OG1-O 2.79Å; G113-Q115 VanDerWaalsContact C-N 3.33Å; Q115-S117 VanDerWaalsContact CG-O 3.26Å; Q115-S117 WeakPolarHBondContact CG-O 3.31Å; Q115-S117 PolarHBondContact NE2-O 2.8Å | ||
| 116 | T | 96.3 | Very high | 96.2 | Very high | 54 Ų | 54 | 71.5 Ų | 71.5 | 33% | 0.331 | 37% | 0.369 | S | S | . | . | trans | -105 | 20.9 | -177.3 | 63.6 | 0 | 0 | 0 | 0 | 114.2 | F77 W78 Y92 N114 | F77-T116 WeakPolarHBondContact CA-O 3.37Å; W78-T116 PolarHBondContact N-O 2.93Å; W78-T116 VanDerWaalsContact O-CB 3.25Å; W78-T116 WeakPolarHBondContact O-CB 3.33Å; Y92-T116 HydrophobicContact CE2-CG2 4.18Å; N114-T116 WeakPolarHBondContact O-CG2 3.18Å; N114-T116 PolarHBondContact O-N 3.05Å | ||
| 117 | S | 97.3 | Very high | 96.3 | Very high | 32 Ų | 32 | 71.3 Ų | 71.3 | 22% | 0.224 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 153.1 | 170.5 | 67.4 | 0 | 0 | 0 | 0 | 111 | V76 F77 Q115 | V76-S117 CarbonylContact O-C 3.54Å; V76-S117 WeakPolarHBondContact O-CA 3.17Å; V76-S117 WeakPolarHBondContact O-CB 3.49Å; F77-S117 VanDerWaalsContact CD1-CB 3.42Å; Q115-S117 VanDerWaalsContact CG-O 3.26Å; Q115-S117 WeakPolarHBondContact CG-O 3.31Å; Q115-S117 PolarHBondContact NE2-O 2.8Å |
| 118 | T | 97.9 | Very high | 96.3 | Very high | 20 Ų | 20 | 66.4 Ų | 66.4 | 12% | 0.123 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 148.8 | 170.1 | -168.6 | 0 | 0 | 0 | 0 | 111.5 | V76 W78 V94 T111 | V76-T118 HydrophobicContact CG1-CG2 3.64Å; V76-T118 WeakPolarHBondContact CG1-O 3.45Å; V76-T118 PolarHBondContact N-O 2.95Å; V76-T118 PolarHBondContact O-N 2.79Å; W78-T118 HydrophobicContact CH2-CG2 3.92Å; W78-T118 HydrophobicContact CZ3-CG2 4.02Å; V94-T118 HydrophobicContact CB-CG2 4.39Å; V94-T118 HydrophobicContact CG2-CG2 3.67Å; T111-T118 HydrophobicContact CG2-CG2 4.35Å |
| 119 | K | 98.1 | Very high | 96.4 | Very high | 102 Ų | 102 | 60.7 Ų | 60.7 | 44% | 0.443 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 134.6 | 169.2 | -168.5 | -178.8 | -179.6 | -168.4 | 0 | 109.3 | L69 D73 I74 T121 | L69-K119 HydrophobicContact CD1-CD 4.17Å; L69-K119 HydrophobicContact CD1-CG 4.19Å; D73-K119 WeakPolarHBondContact OD1-CE 3.15Å; D73-K119 IonicContact OD1-NZ 2.84Å; D73-K119 VanDerWaalsContact OD2-CE 3.27Å; D73-K119 WeakPolarHBondContact OD2-CE 3.4Å; D73-K119 IonicContact OD2-NZ 2.91Å; D73-K119 PolarHBondContact OD2-NZ 3.39Å; I74-K119 CarbonylContact O-C 3.46Å; I74-K119 WeakPolarHBondContact O-CA 3.39Å; K119-T121 HydrophobicContact CD-CG2 3.97Å; K119-T121 HydrophobicContact CG-CG2 4.01Å |
| 120 | I | 98.1 | Very high | 96.4 | Very high | 1 Ų | 1 | 60.4 Ų | 60.4 | 1% | 0.005 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 123.8 | 171.8 | -51 | -175.6 | 0 | 0 | 0 | 106.8 | D73 I74 V76 V94 Y96 I109 L123 L131 | D73-I120 VanDerWaalsContact CA-O 3.29Å; D73-I120 WeakPolarHBondContact CA-O 3.27Å; I74-I120 PolarHBondContact N-O 3.35Å; I74-I120 PolarHBondContact O-N 2.98Å; V76-I120 HydrophobicContact CG1-CD1 4.18Å; V76-I120 HydrophobicContact CG1-CG1 4.35Å; V94-I120 HydrophobicContact CG1-CD1 4.11Å; Y96-I120 HydrophobicContact CD1-CD1 3.93Å; Y96-I120 HydrophobicContact CD1-CG2 4.29Å; Y96-I120 HydrophobicContact CD2-CG2 3.98Å; Y96-I120 HydrophobicContact CE1-CD1 4.47Å; Y96-I120 HydrophobicContact CE1-CG2 3.96Å; Y96-I120 HydrophobicContact CE2-CG2 3.6Å; Y96-I120 HydrophobicContact CG-CD1 3.95Å; Y96-I120 HydrophobicContact CG-CG2 4.3Å; I109-I120 HydrophobicContact CD1-CB 4.24Å; I109-I120 HydrophobicContact CD1-CG1 3.9Å; I109-I120 HydrophobicContact CD1-CG2 3.92Å; I120-L123 HydrophobicContact CB-CD1 4.38Å; I120-L123 HydrophobicContact CG2-CD1 4.04Å; I120-L123 HydrophobicContact CG2-CD2 3.79Å; I120-L123 HydrophobicContact CG2-CG 4.16Å; I120-L131 HydrophobicContact CD1-CD2 3.44Å; I120-L131 VanDerWaalsContact CD1-CD2 3.44Å |
| 121 | T | 97.6 | Very high | 96.5 | Very high | 60 Ų | 60 | 53.4 Ų | 53.4 | 37% | 0.368 | 30% | 0.299 | S | S | . | . | trans | -116.3 | 174.9 | -175.3 | 65.8 | 0 | 0 | 0 | 0 | 111.3 | T72 D73 K119 L123 | T72-T121 CarbonylContact O-C 3.57Å; T72-T121 WeakPolarHBondContact O-CA 3.47Å; D73-T121 WeakPolarHBondContact OD1-CA 3.38Å; D73-T121 VanDerWaalsContact OD1-CB 3.29Å; D73-T121 WeakPolarHBondContact OD1-CB 3.46Å; D73-T121 VanDerWaalsContact OD1-CG2 3.23Å; D73-T121 WeakPolarHBondContact OD1-CG2 3.29Å; K119-T121 HydrophobicContact CD-CG2 3.97Å; K119-T121 HydrophobicContact CG-CG2 4.01Å; T121-L123 VanDerWaalsContact C-N 3.31Å; T121-L123 PolarHBondContact O-N 2.89Å | ||
| 122 | N | 96.4 | Very high | 96.6 | Very high | 133 Ų | 133 | 53.2 Ų | 53.2 | 71% | 0.711 | 30% | 0.297 | S | S | * | . | S | Bend | trans | 59.3 | 39.7 | 176.9 | -58.2 | -41.4 | 0 | 0 | 0 | 113.4 | T72 | T72-N122 PolarHBondContact O-N 3.37Å; T72-N122 VanDerWaalsContact O-N 3.1Å |
| 123 | L | 97.4 | Very high | 96.8 | Very high | 12 Ų | 12 | 47.8 Ų | 47.8 | 6% | 0.063 | 26% | 0.264 | C | S | . | . | P | Polyproline II helix | trans | -90 | 155.8 | 176 | -56.6 | -177.7 | 0 | 0 | 0 | 111.5 | T72 I74 Y96 I120 T121 Y129 T152 | T72-L123 WeakPolarHBondContact CA-O 3.23Å; T72-L123 WeakPolarHBondContact CG2-O 3.39Å; T72-L123 WeakPolarHBondContact O-CB 3.43Å; T72-L123 WeakPolarHBondContact O-CG 3.26Å; T72-L123 PolarHBondContact O-N 2.98Å; I74-L123 HydrophobicContact CB-CD1 3.93Å; I74-L123 HydrophobicContact CD1-CD1 3.56Å; I74-L123 HydrophobicContact CG1-CD1 3.89Å; Y96-L123 HydrophobicContact CD2-CD2 4.12Å; Y96-L123 HydrophobicContact CE2-CD2 3.64Å; I120-L123 HydrophobicContact CB-CD1 4.38Å; I120-L123 HydrophobicContact CG2-CD1 4.04Å; I120-L123 HydrophobicContact CG2-CD2 3.79Å; I120-L123 HydrophobicContact CG2-CG 4.16Å; T121-L123 VanDerWaalsContact C-N 3.31Å; T121-L123 PolarHBondContact O-N 2.89Å; L123-Y129 HydrophobicContact CB-CE2 4.05Å; L123-Y129 HydrophobicContact CD1-CD2 4.5Å; L123-Y129 HydrophobicContact CD1-CE2 4.34Å; L123-Y129 HydrophobicContact CD2-CD1 4.4Å; L123-Y129 HydrophobicContact CD2-CE1 3.75Å; L123-T152 HydrophobicContact CB-CG2 4.01Å; L123-T152 HydrophobicContact CD1-CG2 4.06Å |
| 124 | K | 96.9 | Very high | 97 | Very high | 125 Ų | 125 | 49.3 Ų | 49.3 | 54% | 0.543 | 26% | 0.264 | S | S | . | . | P | Polyproline II helix | trans | -71 | 132.6 | 167.9 | -169 | 177.2 | -179.9 | -176.3 | 0 | 110.1 | A71 A127 Y129 T152 | A71-K124 CarbonylContact O-C 3.53Å; K124-A127 HydrophobicContact CB-CB 4.3Å; K124-Y129 WeakPolarHBondContact CB-OH 3.29Å; K124-Y129 PolarHBondContact N-OH 3.41Å; K124-T152 PolarHBondContact O-OG1 3.01Å |
| 125 | G | 96.9 | Very high | 97.4 | Very high | 20 Ų | 20 | 42.6 Ų | 42.6 | 21% | 0.206 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | 157.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | A71 A127 T152 | A71-G125 WeakPolarHBondContact O-CA 3.32Å; A71-G125 PolarHBondContact O-N 2.59Å; G125-A127 PolarHBondContact O-N 2.92Å; G125-T152 WeakPolarHBondContact CA-OG1 3.47Å |
| 126 | S | 97.3 | Very high | 97.4 | Very high | 66 Ų | 66 | 39.5 Ų | 39.5 | 46% | 0.462 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.9 | 34 | -178.3 | -55.5 | 0 | 0 | 0 | 0 | 114 | T152 R153 K154 P155 | S126-T152 PolarHBondContact N-OG1 2.92Å; S126-R153 PolarHBondContact N-O 2.87Å; S126-K154 WeakPolarHBondContact OG-CA 3.33Å; S126-P155 WeakPolarHBondContact OG-CD 3.02Å |
| 127 | A | 97.6 | Very high | 97.2 | Very high | 16 Ų | 16 | 37.3 Ų | 37.3 | 13% | 0.132 | 20% | 0.199 | C | C | . | . | trans | -123.4 | 138.5 | -175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | K124 G125 Y129 T151 T152 | K124-A127 HydrophobicContact CB-CB 4.3Å; G125-A127 PolarHBondContact O-N 2.92Å; A127-Y129 HydrophobicContact CB-CD2 4.47Å; A127-Y129 HydrophobicContact CB-CE2 3.8Å; A127-Y129 WeakPolarHBondContact O-CD2 3.47Å; A127-T151 WeakPolarHBondContact O-CA 3.42Å; A127-T152 PolarHBondContact N-OG1 3.1Å; A127-T152 PolarHBondContact O-N 3.28Å; A127-T152 PolarHBondContact O-OG1 3.07Å | ||
| 128 | L | 98.3 | Very high | 97 | Very high | 52 Ų | 52 | 39.6 Ų | 39.6 | 27% | 0.272 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 125.4 | 174.1 | -178.2 | 63.8 | 0 | 0 | 0 | 109.7 | R98 H99 N149 T151 | R98-L128 WeakPolarHBondContact CA-O 3.38Å; H99-L128 HydrophobicContact CB-CB 3.92Å; H99-L128 HydrophobicContact CB-CD2 3.95Å; H99-L128 HydrophobicContact CB-CG 4.02Å; H99-L128 PolarHBondContact N-O 2.97Å; L128-N149 HydrophobicContact CD1-CB 4.02Å; L128-T151 WeakPolarHBondContact CD1-OG1 3.47Å |
| 129 | Y | 98.4 | Very high | 96.6 | Very high | 12 Ų | 12 | 40.7 Ų | 40.7 | 5% | 0.047 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 145 | 174.1 | -72.5 | -95.1 | 0 | 0 | 0 | 110.8 | I74 Y96 W97 R98 L123 K124 A127 N149 V150 T152 | I74-Y129 HydrophobicContact CD1-CD2 3.95Å; I74-Y129 HydrophobicContact CD1-CG 4.25Å; Y96-Y129 HydrophobicContact CD2-CD1 4.3Å; W97-Y129 WeakPolarHBondContact O-CA 3.29Å; R98-Y129 HydrophobicContact CB-CE1 4.42Å; R98-Y129 HydrophobicContact CG-CD1 3.92Å; R98-Y129 HydrophobicContact CG-CE1 3.3Å; R98-Y129 HydrophobicContact CG-CE2 4.33Å; L123-Y129 HydrophobicContact CB-CE2 4.05Å; L123-Y129 HydrophobicContact CD1-CD2 4.5Å; L123-Y129 HydrophobicContact CD1-CE2 4.34Å; L123-Y129 HydrophobicContact CD2-CD1 4.4Å; L123-Y129 HydrophobicContact CD2-CE1 3.75Å; K124-Y129 WeakPolarHBondContact CB-OH 3.29Å; K124-Y129 PolarHBondContact N-OH 3.41Å; A127-Y129 HydrophobicContact CB-CD2 4.47Å; A127-Y129 HydrophobicContact CB-CE2 3.8Å; A127-Y129 WeakPolarHBondContact O-CD2 3.47Å; Y129-N149 VanDerWaalsContact O-CA 3.27Å; Y129-N149 WeakPolarHBondContact O-CA 3.37Å; Y129-V150 PolarHBondContact N-O 3.28Å; Y129-V150 PolarHBondContact O-N 3.47Å; Y129-T152 HydrophobicContact CD2-CG2 3.96Å; Y129-T152 HydrophobicContact CE2-CG2 3.73Å |
| 130 | H | 98.1 | Very high | 96.4 | Very high | 37 Ų | 37 | 36.8 Ų | 36.8 | 17% | 0.171 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 140.8 | 167.2 | -62.3 | -69 | 0 | 0 | 0 | 109 | Y96 W97 H99 T147 V148 | Y96-H130 WeakPolarHBondContact CA-O 3.43Å; W97-H130 AromaticContact CD1-CD2 3.96Å; W97-H130 HydrophobicContact CD2-CB 3.79Å; W97-H130 AromaticContact CE2-CG 3.99Å; W97-H130 HydrophobicContact CE3-CB 4.22Å; W97-H130 HydrophobicContact CG-CB 4.37Å; W97-H130 HydrophobicContact CH2-CB 3.9Å; W97-H130 HydrophobicContact CZ2-CB 3.45Å; W97-H130 VanDerWaalsContact CZ2-CB 3.45Å; W97-H130 HydrophobicContact CZ3-CB 4.25Å; W97-H130 PolarHBondContact N-O 3.17Å; W97-H130 AromaticContact NE1-CD2 3.46Å; W97-H130 PolarHBondContact NE1-CD2 3.29Å; W97-H130 AromaticContact NE1-CG 3.91Å; W97-H130 PolarHBondContact O-N 3.16Å; H99-H130 AromaticContact CG-NE2 3.78Å; H99-H130 AromaticContact ND1-CE1 3.58Å; H99-H130 AromaticContact ND1-NE2 3.06Å; H99-H130 PolarHBondContact ND1-NE2 3.18Å; H130-T147 HydrophobicContact CB-CG2 3.81Å; H130-V148 CarbonylContact C-O 3.57Å; H130-V148 WeakPolarHBondContact CA-O 3.21Å |
| 131 | L | 98.1 | Very high | 96.2 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 144.3 | -179.8 | -57.2 | 90.4 | 0 | 0 | 0 | 110.7 | A66 I74 V76 K95 I120 T147 V148 V150 | A66-L131 HydrophobicContact CB-CD1 4.34Å; I74-L131 HydrophobicContact CG2-CD2 4.25Å; V76-L131 HydrophobicContact CB-CD2 4.07Å; V76-L131 HydrophobicContact CG1-CD2 4.24Å; V76-L131 HydrophobicContact CG2-CD2 4.33Å; K95-L131 VanDerWaalsContact O-CA 3.29Å; K95-L131 WeakPolarHBondContact O-CA 3.47Å; I120-L131 HydrophobicContact CD1-CD2 3.44Å; I120-L131 VanDerWaalsContact CD1-CD2 3.44Å; L131-T147 CarbonylContact O-C 3.6Å; L131-T147 VanDerWaalsContact O-CA 3.3Å; L131-T147 WeakPolarHBondContact O-CA 3.29Å; L131-V148 HydrophobicContact CB-CG2 4.01Å; L131-V148 PolarHBondContact N-O 2.84Å; L131-V148 PolarHBondContact O-N 2.87Å; L131-V150 HydrophobicContact CD1-CG1 3.33Å |
| 132 | A | 97.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 158 | 164.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | K95 S144 | K95-A132 HydrophobicContact CD-CB 4.33Å; K95-A132 HydrophobicContact CG-CB 4.07Å; K95-A132 VanDerWaalsContact CG-O 3.28Å; K95-A132 WeakPolarHBondContact CG-O 3.36Å; K95-A132 PolarHBondContact N-O 2.91Å; K95-A132 PolarHBondContact O-N 3.2Å; A132-S144 WeakPolarHBondContact CB-OG 3.28Å |
| 133 | V | 98.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 139.5 | -173.6 | -172.1 | 0 | 0 | 0 | 0 | 110.1 | P61 I64 V76 W78 Y92 E93 V94 S145 | P61-V133 HydrophobicContact CB-CB 4.43Å; P61-V133 HydrophobicContact CB-CG1 4.37Å; P61-V133 WeakPolarHBondContact CD-O 3.05Å; P61-V133 HydrophobicContact CG-CB 4.23Å; P61-V133 HydrophobicContact CG-CG1 3.96Å; I64-V133 HydrophobicContact CD1-CB 4.37Å; I64-V133 HydrophobicContact CD1-CG2 3.67Å; I64-V133 HydrophobicContact CG1-CG2 4.46Å; V76-V133 HydrophobicContact CG2-CG2 4.41Å; W78-V133 HydrophobicContact CD2-CG1 3.92Å; W78-V133 HydrophobicContact CD2-CG2 4.26Å; W78-V133 HydrophobicContact CE3-CG1 4.3Å; W78-V133 HydrophobicContact CE3-CG2 3.93Å; W78-V133 HydrophobicContact CG-CG1 4.18Å; W78-V133 HydrophobicContact CZ2-CG1 4.45Å; W78-V133 HydrophobicContact CZ3-CG2 4.42Å; Y92-V133 HydrophobicContact CD1-CG1 4.24Å; Y92-V133 HydrophobicContact CG-CG1 4.36Å; E93-V133 CarbonylContact O-C 3.57Å; E93-V133 WeakPolarHBondContact O-CA 3.32Å; V94-V133 HydrophobicContact CB-CG2 4.44Å; V94-V133 HydrophobicContact CG1-CG2 4.24Å; V94-V133 HydrophobicContact CG2-CG1 4.25Å; V94-V133 HydrophobicContact CG2-CG2 3.97Å; V133-S145 PolarHBondContact N-OG 2.91Å; V133-S145 WeakPolarHBondContact O-CB 3.39Å; V133-S145 PolarHBondContact O-N 3.33Å; V133-S145 PolarHBondContact O-OG 2.87Å |
| 134 | K | 96.9 | Very high | 96.1 | Very high | 57 Ų | 57 | 33.9 Ų | 33.9 | 25% | 0.248 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 143.7 | 171.1 | -67.6 | 179.6 | 175 | -167.7 | 0 | 109.6 | Y92 E93 | Y92-K134 CarbonylContact C-O 3.54Å; Y92-K134 WeakPolarHBondContact CA-O 3.35Å; Y92-K134 WeakPolarHBondContact CB-O 3.07Å; E93-K134 PolarHBondContact N-O 2.91Å; E93-K134 PolarHBondContact O-N 2.92Å |
| 135 | A | 96.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 149.4 | 165.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | P57 P61 P81 I89 Y92 G142 | P57-A135 HydrophobicContact CB-CB 4.22Å; P57-A135 HydrophobicContact CG-CB 4.23Å; P61-A135 HydrophobicContact CG-CB 4.38Å; P81-A135 HydrophobicContact CG-CB 3.97Å; I89-A135 HydrophobicContact CD1-CB 4.29Å; I89-A135 HydrophobicContact CG2-CB 4.33Å; Y92-A135 HydrophobicContact CD1-CB 3.94Å; Y92-A135 HydrophobicContact CE1-CB 3.9Å; A135-G142 PolarHBondContact O-N 2.71Å |
| 136 | Y | 95.1 | Very high | 96 | Very high | 29 Ų | 29 | 30.9 Ų | 30.9 | 11% | 0.114 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 153.6 | 172.5 | 73.8 | -94.6 | 0 | 0 | 0 | 112.1 | Q90 G91 R110 T111 G140 | Q90-Y136 HydrophobicContact CB-CD2 4.15Å; Q90-Y136 HydrophobicContact CB-CE2 3.78Å; Q90-Y136 PolarHBondContact N-O 2.95Å; G91-Y136 PolarHBondContact N-O 2.98Å; G91-Y136 WeakPolarHBondContact O-CD1 3.25Å; G91-Y136 PolarHBondContact O-N 2.96Å; R110-Y136 HydrophobicContact CB-CE1 4.41Å; R110-Y136 HydrophobicContact CG-CE1 4.38Å; T111-Y136 PolarHBondContact O-OH 2.8Å; Y136-G140 VanDerWaalsContact CA-O 3.26Å; Y136-G140 WeakPolarHBondContact CA-O 3.32Å; Y136-G140 WeakPolarHBondContact CB-O 3.35Å |
| 137 | N | 93.1 | Very high | 96 | Very high | 9 Ų | 9 | 31.1 Ų | 31.1 | 5% | 0.048 | 20% | 0.201 | C | C | . | . | trans | -137.5 | -165.1 | 172.2 | 68 | 2.4 | 0 | 0 | 0 | 110.1 | E55 R86 R88 A139 G140 | E55-N137 PolarHBondContact O-ND2 2.65Å; R86-N137 PolarHBondContact O-ND2 2.81Å; R88-N137 WeakPolarHBondContact O-CB 3.49Å; N137-A139 PolarHBondContact O-N 2.85Å; N137-A139 WeakPolarHBondContact OD1-CB 3.36Å; N137-A139 PolarHBondContact OD1-N 2.83Å; N137-G140 PolarHBondContact N-O 2.84Å; N137-G140 PolarHBondContact O-N 2.8Å; N137-G140 PolarHBondContact OD1-N 2.84Å; N137-G140 VanDerWaalsContact OD1-N 3.16Å; N137-G140 PolarHBondContact OD1-O 2.82Å | ||
| 138 | S | 91.6 | Very high | 96 | Very high | 80 Ų | 80 | 31.5 Ų | 31.5 | 56% | 0.559 | 20% | 0.202 | S | C | * | . | S | Bend | trans | -69.9 | -21.3 | -178.8 | 69.2 | 0 | 0 | 0 | 0 | 113.7 | E54 | E54-S138 WeakPolarHBondContact OE2-CB 3.38Å; E54-S138 PolarHBondContact OE2-N 2.56Å; E54-S138 VanDerWaalsContact OE2-N 3.08Å; E54-S138 PolarHBondContact OE2-OG 3.08Å |
| 139 | A | 90.7 | Very high | 96 | Very high | 42 Ų | 42 | 34.1 Ų | 34.1 | 35% | 0.347 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -81.8 | -26.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | E54 E55 E56 N137 | E54-A139 HydrophobicContact CB-CB 3.97Å; E54-A139 WeakPolarHBondContact O-CB 3.08Å; E55-A139 VanDerWaalsContact C-CB 3.41Å; E56-A139 HydrophobicContact CG-CB 4.36Å; N137-A139 PolarHBondContact O-N 2.85Å; N137-A139 WeakPolarHBondContact OD1-CB 3.36Å; N137-A139 PolarHBondContact OD1-N 2.83Å |
| 140 | G | 93.1 | Very high | 96 | Very high | 21 Ų | 21 | 34.2 Ų | 34.2 | 22% | 0.216 | 22% | 0.218 | C | C | . | . | trans | 147.6 | -152.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | E56 Y136 N137 | E56-G140 WeakPolarHBondContact OE1-CA 3.18Å; Y136-G140 VanDerWaalsContact CA-O 3.26Å; Y136-G140 WeakPolarHBondContact CA-O 3.32Å; Y136-G140 WeakPolarHBondContact CB-O 3.35Å; N137-G140 PolarHBondContact N-O 2.84Å; N137-G140 PolarHBondContact O-N 2.8Å; N137-G140 PolarHBondContact OD1-N 2.84Å; N137-G140 VanDerWaalsContact OD1-N 3.16Å; N137-G140 PolarHBondContact OD1-O 2.82Å | ||
| 141 | T | 95.1 | Very high | 96 | Very high | 47 Ų | 47 | 36.2 Ų | 36.2 | 29% | 0.288 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 131.9 | -173.5 | 59 | 0 | 0 | 0 | 0 | 111.5 | E56 | E56-T141 PolarHBondContact OE1-N 2.83Å |
| 142 | G | 94.9 | Very high | 96 | Very high | 6 Ų | 6 | 36.4 Ų | 36.4 | 6% | 0.062 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | -172.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | P57 A135 | P57-G142 WeakPolarHBondContact O-CA 3.41Å; A135-G142 PolarHBondContact O-N 2.71Å |
| 143 | P | 96.4 | Very high | 96 | Very high | 53 Ų | 53 | 40.5 Ų | 40.5 | 34% | 0.344 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 155.3 | 179.5 | 29.9 | -36.2 | 0 | 0 | 0 | 112 | P57 T58 P60 | P57-P143 WeakPolarHBondContact O-CD 3.43Å; T58-P143 WeakPolarHBondContact O-CG 3.31Å; P60-P143 HydrophobicContact CB-CG 4.21Å |
| 144 | S | 96.6 | Very high | 96 | Very high | 39 Ų | 39 | 45.4 Ų | 45.4 | 27% | 0.273 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 140.5 | 176.1 | -168.8 | 0 | 0 | 0 | 0 | 111 | P60 K95 A132 | P60-S144 WeakPolarHBondContact CB-O 3.46Å; K95-S144 VanDerWaalsContact CE-OG 3.32Å; K95-S144 WeakPolarHBondContact CE-OG 3.48Å; K95-S144 PolarHBondContact NZ-OG 2.9Å; A132-S144 WeakPolarHBondContact CB-OG 3.28Å |
| 145 | S | 97.3 | Very high | 96.1 | Very high | 7 Ų | 7 | 44.8 Ų | 44.8 | 5% | 0.049 | 27% | 0.273 | C | S | . | . | P | Polyproline II helix | trans | -59.1 | 167.2 | 161.7 | 73.5 | 0 | 0 | 0 | 0 | 111.2 | I64 V133 | I64-S145 WeakPolarHBondContact CD1-OG 3.39Å; V133-S145 PolarHBondContact N-OG 2.91Å; V133-S145 WeakPolarHBondContact O-CB 3.39Å; V133-S145 PolarHBondContact O-N 3.33Å; V133-S145 PolarHBondContact O-OG 2.87Å |
| 146 | A | 95.9 | Very high | 96.1 | Very high | 74 Ų | 74 | 46.1 Ų | 46.1 | 61% | 0.612 | 28% | 0.281 | S | S | * | . | P | Polyproline II helix | trans | -53.5 | 144.7 | 161 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 147 | T | 97.1 | Very high | 96.1 | Very high | 71 Ų | 71 | 44.8 Ų | 44.8 | 44% | 0.436 | 28% | 0.276 | S | S | . | . | P | Polyproline II helix | trans | -75.3 | 130.4 | 174.9 | -57.5 | 0 | 0 | 0 | 0 | 109.2 | W97 H130 L131 | W97-T147 HydrophobicContact CH2-CG2 3.9Å; W97-T147 HydrophobicContact CZ2-CG2 4.15Å; H130-T147 HydrophobicContact CB-CG2 3.81Å; L131-T147 CarbonylContact O-C 3.6Å; L131-T147 VanDerWaalsContact O-CA 3.3Å; L131-T147 WeakPolarHBondContact O-CA 3.29Å |
| 148 | V | 97.9 | Very high | 96.3 | Very high | 24 Ų | 24 | 47.4 Ų | 47.4 | 15% | 0.145 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 153.6 | 170.4 | -61.6 | 0 | 0 | 0 | 0 | 110 | I64 A66 H130 L131 | I64-V148 HydrophobicContact CB-CG1 4.22Å; I64-V148 HydrophobicContact CD1-CG1 4.22Å; I64-V148 HydrophobicContact CD1-CG2 3.76Å; I64-V148 HydrophobicContact CG1-CG1 3.91Å; I64-V148 HydrophobicContact CG1-CG2 3.82Å; I64-V148 HydrophobicContact CG2-CG1 3.56Å; A66-V148 HydrophobicContact CB-CG2 4.08Å; H130-V148 CarbonylContact C-O 3.57Å; H130-V148 WeakPolarHBondContact CA-O 3.21Å; L131-V148 HydrophobicContact CB-CG2 4.01Å; L131-V148 PolarHBondContact N-O 2.84Å; L131-V148 PolarHBondContact O-N 2.87Å |
| 149 | N | 97.8 | Very high | 96.4 | Very high | 108 Ų | 108 | 47.5 Ų | 47.5 | 58% | 0.578 | 29% | 0.287 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116 | 149 | 178.6 | 62.4 | -8.2 | 0 | 0 | 0 | 111.2 | L128 Y129 | L128-N149 HydrophobicContact CD1-CB 4.02Å; Y129-N149 VanDerWaalsContact O-CA 3.27Å; Y129-N149 WeakPolarHBondContact O-CA 3.37Å |
| 150 | V | 98.3 | Very high | 96.6 | Very high | 14 Ų | 14 | 47.4 Ų | 47.4 | 9% | 0.085 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.1 | 139.2 | 176 | 53.9 | 0 | 0 | 0 | 0 | 109.3 | A66 I74 Y129 L131 | A66-V150 HydrophobicContact CB-CB 4.06Å; A66-V150 HydrophobicContact CB-CG1 3.8Å; I74-V150 HydrophobicContact CD1-CB 4.4Å; I74-V150 HydrophobicContact CD1-CG1 3.46Å; I74-V150 VanDerWaalsContact CD1-CG1 3.46Å; I74-V150 HydrophobicContact CD1-CG2 4.14Å; I74-V150 HydrophobicContact CG1-CG1 4.08Å; I74-V150 HydrophobicContact CG1-CG2 4.14Å; I74-V150 HydrophobicContact CG2-CG1 3.87Å; Y129-V150 PolarHBondContact N-O 3.28Å; Y129-V150 PolarHBondContact O-N 3.47Å; L131-V150 HydrophobicContact CD1-CG1 3.33Å |
| 151 | T | 98.4 | Very high | 96.7 | Very high | 79 Ų | 79 | 46.7 Ų | 46.7 | 49% | 0.485 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 126.7 | 178.3 | -49.2 | 0 | 0 | 0 | 0 | 109.5 | S68 A127 L128 | S68-T151 WeakPolarHBondContact CB-O 3.38Å; S68-T151 PolarHBondContact OG-O 3.24Å; A127-T151 WeakPolarHBondContact O-CA 3.42Å; L128-T151 WeakPolarHBondContact CD1-OG1 3.47Å |
| 152 | T | 98.2 | Very high | 96.6 | Very high | 4 Ų | 4 | 45.3 Ų | 45.3 | 3% | 0.025 | 27% | 0.27 | C | S | . | . | P | Polyproline II helix | trans | -63.2 | 150.9 | 170.8 | 50 | 0 | 0 | 0 | 0 | 110.5 | S68 A71 I74 L123 K124 G125 S126 A127 Y129 | S68-T152 WeakPolarHBondContact OG-CA 3.49Å; A71-T152 WeakPolarHBondContact O-CB 3.28Å; I74-T152 HydrophobicContact CD1-CG2 3.6Å; I74-T152 HydrophobicContact CG1-CG2 4.02Å; L123-T152 HydrophobicContact CB-CG2 4.01Å; L123-T152 HydrophobicContact CD1-CG2 4.06Å; K124-T152 PolarHBondContact O-OG1 3.01Å; G125-T152 WeakPolarHBondContact CA-OG1 3.47Å; S126-T152 PolarHBondContact N-OG1 2.92Å; A127-T152 PolarHBondContact N-OG1 3.1Å; A127-T152 PolarHBondContact O-N 3.28Å; A127-T152 PolarHBondContact O-OG1 3.07Å; Y129-T152 HydrophobicContact CD2-CG2 3.96Å; Y129-T152 HydrophobicContact CE2-CG2 3.73Å |
| 153 | R | 98.2 | Very high | 96.5 | Very high | 87 Ų | 87 | 49.2 Ų | 49.2 | 33% | 0.328 | 29% | 0.289 | S | S | . | . | P | Polyproline II helix | trans | -67.9 | 166.2 | 179.9 | -67.5 | 163.8 | -174.1 | -123.4 | 7.1 | 110.8 | S68 S70 A71 S126 D233 | S68-R153 PolarHBondContact O-NE 3.06Å; S68-R153 VanDerWaalsContact O-NE 3.11Å; S68-R153 PolarHBondContact O-NH2 2.87Å; S68-R153 VanDerWaalsContact O-NH2 3.16Å; S68-R153 PolarHBondContact OG-N 3.45Å; S70-R153 PolarHBondContact O-N 2.88Å; S70-R153 VanDerWaalsContact O-N 3.16Å; A71-R153 WeakPolarHBondContact CA-O 3.36Å; A71-R153 WeakPolarHBondContact CB-O 3.48Å; S126-R153 PolarHBondContact N-O 2.87Å; R153-D233 WeakPolarHBondContact CD-O 3.32Å; R153-D233 VanDerWaalsContact NH1-CB 3.31Å; R153-D233 IonicContact NH1-OD1 2.91Å; R153-D233 PolarHBondContact NH1-OD1 3.24Å; R153-D233 IonicContact NH1-OD2 3.71Å |
| 154 | K | 97.9 | Very high | 96.4 | Very high | 102 Ų | 102 | 47.2 Ų | 47.2 | 44% | 0.443 | 28% | 0.275 | S | S | . | . | P | Polyproline II helix | trans | -61.2 | 144.3 | 171 | -67.5 | -176.8 | -178.6 | -177.4 | 0 | 110.1 | S126 D184 E186 S187 G234 | S126-K154 WeakPolarHBondContact OG-CA 3.33Å; K154-D184 PolarHBondContact NZ-O 3.48Å; K154-E186 WeakPolarHBondContact CD-O 3.46Å; K154-S187 WeakPolarHBondContact CB-OG 2.93Å; K154-S187 PolarHBondContact O-OG 2.8Å; K154-G234 WeakPolarHBondContact O-CA 3.01Å |
| 155 | P | 97.6 | Very high | 96.3 | Very high | 45 Ų | 45 | 48.3 Ų | 48.3 | 29% | 0.292 | 28% | 0.277 | S | S | . | . | P | Polyproline II helix | trans | -53.8 | 150.8 | 176.1 | 23.8 | -34.9 | 0 | 0 | 0 | 111.7 | S126 N185 E186 S187 | S126-P155 WeakPolarHBondContact OG-CD 3.02Å; P155-N185 VanDerWaalsContact CD-O 3.31Å; P155-N185 WeakPolarHBondContact CD-O 3.43Å; P155-N185 WeakPolarHBondContact CG-O 3.35Å; P155-E186 HydrophobicContact CG-CG 4.44Å; P155-E186 CarbonylContact O-C 3.51Å; P155-E186 WeakPolarHBondContact O-CA 3.13Å; P155-S187 PolarHBondContact O-N 3.47Å |
| 156 | P | 96.9 | Very high | 96 | Very high | 28 Ų | 28 | 48.8 Ų | 48.8 | 18% | 0.182 | 28% | 0.278 | C | S | . | . | P | Polyproline II helix | trans | -67.9 | 164.4 | 173.8 | 31.7 | -34.3 | 0 | 0 | 0 | 111.1 | S158 S232 G235 D236 | P156-S158 PolarHBondContact O-N 2.85Å; P156-S232 WeakPolarHBondContact CA-OG 3.26Å; P156-G235 WeakPolarHBondContact CB-O 3.42Å; P156-D236 WeakPolarHBondContact CG-O 3.43Å |
| 157 | P | 95.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 26% | 0.262 | C | S | . | . | P | Polyproline II helix | trans | -53.6 | 125.1 | 179.1 | -22.2 | 28 | 0 | 0 | 0 | 112.4 | Q159 V180 E186 V189 P230 G237 S238 | P157-Q159 VanDerWaalsContact C-N 3.34Å; P157-V180 HydrophobicContact CB-CG1 3.84Å; P157-E186 WeakPolarHBondContact CA-OE2 3.43Å; P157-V189 HydrophobicContact CB-CG2 4.29Å; P157-V189 HydrophobicContact CG-CG2 3.48Å; P157-V189 VanDerWaalsContact CG-CG2 3.48Å; P157-P230 HydrophobicContact CB-CG 4.07Å; P157-P230 HydrophobicContact CG-CB 4.38Å; P157-P230 HydrophobicContact CG-CG 4.31Å; P157-G237 WeakPolarHBondContact O-CA 3.5Å; P157-S238 PolarHBondContact O-N 2.76Å; P157-S238 VanDerWaalsContact O-N 3.07Å |
| 158 | S | 95.5 | Very high | 94.9 | Very high | 64 Ų | 64 | 44.8 Ų | 44.8 | 45% | 0.448 | 24% | 0.244 | S | C | . | . | trans | -81.3 | -14.9 | 178.6 | 59.9 | 0 | 0 | 0 | 0 | 113.4 | P156 E186 S238 | P156-S158 PolarHBondContact O-N 2.85Å; S158-E186 WeakPolarHBondContact CB-OE1 3.48Å; S158-E186 PolarHBondContact N-OE1 3.16Å; S158-E186 PolarHBondContact OG-OE1 3.11Å; S158-S238 VanDerWaalsContact C-OG 3.28Å; S158-S238 WeakPolarHBondContact O-CB 3.18Å; S158-S238 PolarHBondContact O-OG 2.89Å | ||
| 159 | Q | 94.2 | Very high | 93.8 | Very high | 83 Ų | 83 | 45.2 Ų | 45.2 | 39% | 0.388 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -89.2 | 130.7 | 179.1 | -64.4 | 176.8 | 42.8 | 0 | 0 | 110.7 | P157 V180 | P157-Q159 VanDerWaalsContact C-N 3.34Å; Q159-V180 HydrophobicContact CB-CG1 4.43Å |
| 160 | P | 95.2 | Very high | 92.4 | Very high | 39 Ų | 39 | 45.7 Ų | 45.7 | 25% | 0.253 | 25% | 0.251 | S | S | . | . | P | Polyproline II helix | trans | -73.3 | 162.6 | 173.6 | 32.4 | -35.3 | 0 | 0 | 0 | 111.4 | G162 S239 T260 | P160-G162 PolarHBondContact O-N 3.13Å; P160-S239 WeakPolarHBondContact CB-O 3.33Å; P160-T260 HydrophobicContact CG-CG2 4.37Å |
| 161 | P | 95 | Very high | 91.2 | Very high | 6 Ų | 6 | 47.6 Ų | 47.6 | 4% | 0.039 | 27% | 0.265 | C | S | . | . | P | Polyproline II helix | trans | -61.2 | 127.8 | 171.8 | -19.2 | 33.5 | 0 | 0 | 0 | 111 | I164 W177 V180 Y192 I228 | P161-I164 HydrophobicContact CB-CD1 4.33Å; P161-I164 HydrophobicContact CB-CG1 4.46Å; P161-W177 HydrophobicContact CB-CB 4.21Å; P161-W177 HydrophobicContact CB-CG 4.13Å; P161-V180 HydrophobicContact CB-CG2 4.14Å; P161-V180 HydrophobicContact CG-CG2 4.09Å; P161-Y192 HydrophobicContact CB-CE1 4.47Å; P161-Y192 HydrophobicContact CG-CD1 4.05Å; P161-Y192 HydrophobicContact CG-CE1 4.09Å; P161-I228 HydrophobicContact CB-CG2 4.5Å; P161-I228 WeakPolarHBondContact CD-O 3.3Å; P161-I228 HydrophobicContact CG-CB 4.25Å; P161-I228 HydrophobicContact CG-CG2 3.93Å |
| 162 | G | 92.6 | Very high | 90.6 | Very high | 19 Ų | 19 | 47.9 Ų | 47.9 | 20% | 0.196 | 26% | 0.259 | C | S | . | . | P | Polyproline II helix | trans | -89.4 | 167.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | P160 I164 D178 | P160-G162 PolarHBondContact O-N 3.13Å; G162-I164 VanDerWaalsContact C-N 3.26Å; G162-I164 PolarHBondContact O-N 3.46Å; G162-I164 VanDerWaalsContact O-N 3.13Å; G162-D178 PolarHBondContact O-N 2.97Å |
| 163 | N | 93.4 | Very high | 90.1 | Very high | 88 Ų | 88 | 48.1 Ų | 48.1 | 47% | 0.471 | 26% | 0.26 | S | S | . | . | S | Bend | trans | 47.5 | 45.1 | 170.6 | -65.2 | -34 | 0 | 0 | 0 | 114.4 | I165 D178 | N163-I165 PolarHBondContact O-N 2.81Å; N163-D178 PolarHBondContact ND2-OD2 2.94Å |
| 164 | I | 94.4 | Very high | 89.8 | Confident | 11 Ų | 11 | 46 Ų | 46 | 6% | 0.056 | 26% | 0.256 | C | S | . | . | trans | -72.5 | 119.3 | -179 | -48 | 173.7 | 0 | 0 | 0 | 109.1 | P161 G162 L175 N176 W177 I228 I243 S256 G257 | P161-I164 HydrophobicContact CB-CD1 4.33Å; P161-I164 HydrophobicContact CB-CG1 4.46Å; G162-I164 VanDerWaalsContact C-N 3.26Å; G162-I164 PolarHBondContact O-N 3.46Å; G162-I164 VanDerWaalsContact O-N 3.13Å; I164-L175 HydrophobicContact CG2-CD2 4.2Å; I164-N176 CarbonylContact C-O 3.55Å; I164-N176 WeakPolarHBondContact CA-O 3.32Å; I164-W177 HydrophobicContact CB-CB 4.4Å; I164-W177 HydrophobicContact CG1-CB 3.88Å; I164-W177 HydrophobicContact CG2-CB 4.43Å; I164-I228 HydrophobicContact CD1-CD1 4.26Å; I164-I228 HydrophobicContact CG2-CD1 3.81Å; I164-I243 HydrophobicContact CB-CD1 4.08Å; I164-I243 HydrophobicContact CD1-CD1 3.92Å; I164-I243 HydrophobicContact CG2-CD1 3.45Å; I164-I243 VanDerWaalsContact CG2-CD1 3.45Å; I164-S256 CarbonylContact O-C 3.53Å; I164-S256 VanDerWaalsContact O-CA 3.3Å; I164-S256 WeakPolarHBondContact O-CA 3.48Å; I164-G257 PolarHBondContact O-N 3.26Å | ||
| 165 | I | 93.7 | Very high | 89.6 | Confident | 62 Ų | 62 | 41.2 Ų | 41.2 | 32% | 0.318 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 138.4 | 178.7 | -60 | 163.8 | 0 | 0 | 0 | 107.7 | N163 N176 | N163-I165 PolarHBondContact O-N 2.81Å; I165-N176 PolarHBondContact N-O 2.81Å; I165-N176 PolarHBondContact O-N 2.98Å |
| 166 | W | 91.8 | Very high | 89.5 | Confident | 17 Ų | 17 | 42.1 Ų | 42.1 | 6% | 0.064 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 145.6 | 174.7 | 64 | -92.6 | 0 | 0 | 0 | 111.4 | I174 L175 I245 A253 R254 G255 | W166-I174 CarbonylContact C-O 3.52Å; W166-I174 WeakPolarHBondContact CA-O 3.48Å; W166-L175 HydrophobicContact CB-CD2 3.69Å; W166-L175 HydrophobicContact CB-CG 4.35Å; W166-I245 HydrophobicContact CB-CD1 4.26Å; W166-I245 HydrophobicContact CD2-CD1 3.89Å; W166-I245 HydrophobicContact CD2-CG1 3.94Å; W166-I245 HydrophobicContact CE3-CD1 4.08Å; W166-I245 HydrophobicContact CE3-CG1 4.27Å; W166-I245 HydrophobicContact CE3-CG2 4.19Å; W166-I245 HydrophobicContact CG-CD1 3.97Å; W166-I245 HydrophobicContact CG-CG1 4.28Å; W166-I245 HydrophobicContact CH2-CG2 4.02Å; W166-I245 HydrophobicContact CZ2-CG1 4.31Å; W166-I245 HydrophobicContact CZ2-CG2 4.48Å; W166-I245 HydrophobicContact CZ3-CG2 3.86Å; W166-A253 HydrophobicContact CH2-CB 3.98Å; W166-A253 HydrophobicContact CZ3-CB 3.89Å; W166-R254 WeakPolarHBondContact O-CA 3.2Å; W166-R254 VanDerWaalsContact O-CG 3.3Å; W166-R254 WeakPolarHBondContact O-CG 3.26Å; W166-G255 VanDerWaalsContact CE2-CA 3.48Å; W166-G255 PolarHBondContact N-O 3.16Å; W166-G255 PolarHBondContact O-N 2.98Å |
| 167 | N | 87.8 | Confident | 89.5 | Confident | 51 Ų | 51 | 41.2 Ų | 41.2 | 27% | 0.273 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 152.7 | 170.6 | 65 | -79.4 | 0 | 0 | 0 | 109.6 | I174 A253 R254 | N167-I174 PolarHBondContact N-O 2.8Å; N167-I174 PolarHBondContact O-N 2.8Å; N167-I174 WeakPolarHBondContact OD1-CB 3.32Å; N167-I174 PolarHBondContact OD1-O 2.93Å; N167-A253 CarbonylContact C-O 3.59Å; N167-A253 WeakPolarHBondContact CA-O 3.48Å; N167-R254 HydrophobicContact CB-CG 4.42Å |
| 168 | S | 82.4 | Confident | 89.5 | Confident | 9 Ų | 9 | 45 Ų | 45 | 6% | 0.063 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 143 | -177.1 | 56.5 | 0 | 0 | 0 | 0 | 111.1 | K172 I248 Y252 A253 | S168-K172 CarbonylContact C-O 3.59Å; S168-K172 WeakPolarHBondContact CA-O 3.3Å; S168-I248 WeakPolarHBondContact OG-CD1 3.41Å; S168-Y252 WeakPolarHBondContact O-CA 3.36Å; S168-Y252 WeakPolarHBondContact O-CD1 3.42Å; S168-A253 PolarHBondContact N-O 2.82Å; S168-A253 WeakPolarHBondContact OG-CA 3.36Å; S168-A253 WeakPolarHBondContact OG-CB 3.42Å; S168-A253 PolarHBondContact OG-N 3.46Å; S168-A253 PolarHBondContact OG-O 2.94Å |
| 169 | S | 74.4 | Confident | 89.5 | Confident | 33 Ų | 33 | 48.7 Ų | 48.7 | 23% | 0.231 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 125.1 | 174.5 | 60.2 | 0 | 0 | 0 | 0 | 109.8 | S171 K172 | S169-S171 VanDerWaalsContact C-N 3.32Å; S169-S171 PolarHBondContact O-N 2.94Å; S169-K172 PolarHBondContact N-O 2.86Å; S169-K172 PolarHBondContact O-N 2.8Å |
| 170 | D | 68.2 | Low | 89.6 | Confident | 119 Ų | 119 | 45.1 Ų | 45.1 | 64% | 0.636 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 36.1 | 51.2 | 164.4 | -58.2 | -15.7 | 0 | 0 | 0 | 116.1 | ||
| 171 | S | 74.3 | Confident | 89.6 | Confident | 54 Ų | 54 | 51 Ų | 51 | 38% | 0.378 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.2 | 12.9 | -177.9 | 94.3 | 0 | 0 | 0 | 0 | 118 | S169 L218 | S169-S171 VanDerWaalsContact C-N 3.32Å; S169-S171 PolarHBondContact O-N 2.94Å; S171-L218 CarbonylContact C-O 3.52Å; S171-L218 PolarHBondContact O-N 2.94Å |
| 172 | K | 84.8 | Confident | 89.6 | Confident | 84 Ų | 84 | 52.4 Ų | 52.4 | 37% | 0.365 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 138.4 | 177.2 | -65.3 | 173.8 | 171.8 | -153.3 | 0 | 110.8 | S168 S169 E215 L216 | S168-K172 CarbonylContact C-O 3.59Å; S168-K172 WeakPolarHBondContact CA-O 3.3Å; S169-K172 PolarHBondContact N-O 2.86Å; S169-K172 PolarHBondContact O-N 2.8Å; K172-E215 HydrophobicContact CB-CG 4.41Å; K172-E215 HydrophobicContact CD-CG 4.4Å; K172-E215 WeakPolarHBondContact CD-OE1 3.45Å; K172-E215 WeakPolarHBondContact CE-OE1 3.1Å; K172-E215 IonicContact NZ-OE1 2.65Å; K172-E215 PolarHBondContact NZ-OE1 3.11Å; K172-L216 CarbonylContact C-O 3.59Å; K172-L216 WeakPolarHBondContact CA-O 3.36Å |
| 173 | I | 88.2 | Confident | 89.7 | Confident | 9 Ų | 9 | 55.4 Ų | 55.4 | 5% | 0.046 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 119.1 | 168.9 | -66 | 168.9 | 0 | 0 | 0 | 107 | L175 L216 L218 Y224 I226 I245 | I173-L175 HydrophobicContact CG2-CG 4.3Å; I173-L216 HydrophobicContact CB-CB 4.29Å; I173-L216 PolarHBondContact N-O 2.99Å; I173-L216 PolarHBondContact O-N 2.77Å; I173-L218 HydrophobicContact CD1-CB 4.34Å; I173-L218 HydrophobicContact CD1-CD1 4.11Å; I173-Y224 HydrophobicContact CD1-CD2 4.34Å; I173-I226 HydrophobicContact CG2-CD1 4.46Å; I173-I245 HydrophobicContact CD1-CD1 4.02Å; I173-I245 HydrophobicContact CD1-CG2 3.96Å; I173-I245 HydrophobicContact CG1-CD1 4.49Å; I173-I245 HydrophobicContact CG2-CD1 3.48Å; I173-I245 VanDerWaalsContact CG2-CD1 3.48Å |
| 174 | I | 90.9 | Very high | 89.8 | Confident | 44 Ų | 44 | 58.7 Ų | 58.7 | 23% | 0.226 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 124.7 | 175.7 | -60.5 | 168.2 | 0 | 0 | 0 | 107.4 | W166 N167 V214 E215 | W166-I174 CarbonylContact C-O 3.52Å; W166-I174 WeakPolarHBondContact CA-O 3.48Å; N167-I174 PolarHBondContact N-O 2.8Å; N167-I174 PolarHBondContact O-N 2.8Å; N167-I174 WeakPolarHBondContact OD1-CB 3.32Å; N167-I174 PolarHBondContact OD1-O 2.93Å; I174-V214 WeakPolarHBondContact CA-O 3.49Å; I174-E215 HydrophobicContact CG1-CB 4.39Å; I174-E215 HydrophobicContact CG1-CG 4.07Å |
| 175 | L | 93.9 | Very high | 89.9 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 137.6 | 175.7 | -72.4 | 151.1 | 0 | 0 | 0 | 108.8 | I164 W166 I173 W177 V194 S213 V214 L216 I226 I228 I243 | I164-L175 HydrophobicContact CG2-CD2 4.2Å; W166-L175 HydrophobicContact CB-CD2 3.69Å; W166-L175 HydrophobicContact CB-CG 4.35Å; I173-L175 HydrophobicContact CG2-CG 4.3Å; L175-W177 HydrophobicContact CB-CE3 4.13Å; L175-W177 HydrophobicContact CB-CZ3 3.77Å; L175-V194 HydrophobicContact CD1-CG1 4.04Å; L175-S213 CarbonylContact O-C 3.58Å; L175-S213 WeakPolarHBondContact O-CA 3.34Å; L175-S213 WeakPolarHBondContact O-CB 3.24Å; L175-V214 HydrophobicContact CB-CG1 3.94Å; L175-V214 HydrophobicContact CD1-CG1 3.76Å; L175-V214 HydrophobicContact CG-CG1 4.45Å; L175-V214 PolarHBondContact N-O 2.9Å; L175-V214 PolarHBondContact O-N 2.81Å; L175-L216 HydrophobicContact CD1-CD1 3.69Å; L175-L216 HydrophobicContact CD1-CG 4.34Å; L175-I226 HydrophobicContact CD1-CD1 3.87Å; L175-I226 HydrophobicContact CD1-CG2 3.9Å; L175-I228 HydrophobicContact CD2-CD1 4.38Å; L175-I243 HydrophobicContact CD2-CD1 4.41Å |
| 176 | N | 96.3 | Very high | 90 | Very high | 64 Ų | 64 | 60.8 Ų | 60.8 | 34% | 0.342 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 142.6 | 172.9 | -60.2 | -83.1 | 0 | 0 | 0 | 108.7 | I164 I165 T212 S213 | I164-N176 CarbonylContact C-O 3.55Å; I164-N176 WeakPolarHBondContact CA-O 3.32Å; I165-N176 PolarHBondContact N-O 2.81Å; I165-N176 PolarHBondContact O-N 2.98Å; N176-T212 WeakPolarHBondContact CA-O 3.18Å; N176-S213 VanDerWaalsContact OD1-CB 3.24Å; N176-S213 WeakPolarHBondContact OD1-CB 3.27Å |
| 177 | W | 96.3 | Very high | 90.3 | Very high | 9 Ų | 9 | 60.5 Ų | 60.5 | 3% | 0.034 | 32% | 0.319 | C | S | . | . | trans | -146.8 | 169.3 | 179.1 | 56.2 | 92.6 | 0 | 0 | 0 | 111.2 | P161 I164 L175 Y192 V194 T209 K211 T212 V214 I228 | P161-W177 HydrophobicContact CB-CB 4.21Å; P161-W177 HydrophobicContact CB-CG 4.13Å; I164-W177 HydrophobicContact CB-CB 4.4Å; I164-W177 HydrophobicContact CG1-CB 3.88Å; I164-W177 HydrophobicContact CG2-CB 4.43Å; L175-W177 HydrophobicContact CB-CE3 4.13Å; L175-W177 HydrophobicContact CB-CZ3 3.77Å; W177-Y192 AromaticContact CD1-CE1 3.85Å; W177-Y192 AromaticContact CE2-CD2 3.97Å; W177-Y192 AromaticContact CE2-CG 3.79Å; W177-Y192 HydrophobicContact CZ2-CD1 4.43Å; W177-Y192 AromaticContact CZ2-CD2 3.9Å; W177-Y192 HydrophobicContact CZ2-CD2 3.9Å; W177-Y192 AromaticContact CZ2-CG 3.75Å; W177-Y192 HydrophobicContact CZ2-CG 3.75Å; W177-Y192 AromaticContact NE1-CD1 3.26Å; W177-Y192 VanDerWaalsContact NE1-CD1 3.26Å; W177-Y192 AromaticContact NE1-CD2 3.41Å; W177-Y192 AromaticContact NE1-CE1 3.36Å; W177-Y192 AromaticContact NE1-CE2 3.52Å; W177-Y192 AromaticContact NE1-CG 3.3Å; W177-Y192 VanDerWaalsContact NE1-CG 3.3Å; W177-Y192 AromaticContact NE1-CZ 3.51Å; W177-V194 HydrophobicContact CH2-CG2 3.87Å; W177-V194 HydrophobicContact CZ3-CG2 4.39Å; W177-T209 HydrophobicContact CH2-CG2 3.96Å; W177-T209 HydrophobicContact CZ2-CG2 3.92Å; W177-K211 WeakPolarHBondContact CZ2-O 3.04Å; W177-T212 PolarHBondContact N-O 2.68Å; W177-T212 VanDerWaalsContact O-CB 3.27Å; W177-T212 WeakPolarHBondContact O-CB 3.41Å; W177-V214 HydrophobicContact CH2-CB 4.14Å; W177-V214 HydrophobicContact CH2-CG1 4.14Å; W177-V214 HydrophobicContact CZ3-CB 4.41Å; W177-V214 HydrophobicContact CZ3-CG1 4.05Å; W177-I228 HydrophobicContact CD2-CD1 3.99Å; W177-I228 HydrophobicContact CD2-CG2 4.26Å; W177-I228 HydrophobicContact CE3-CD1 3.48Å; W177-I228 VanDerWaalsContact CE3-CD1 3.48Å; W177-I228 HydrophobicContact CZ2-CG2 4.23Å; W177-I228 HydrophobicContact CZ3-CD1 3.79Å | ||
| 178 | D | 95.7 | Very high | 90.7 | Very high | 81 Ų | 81 | 65.8 Ų | 65.8 | 43% | 0.433 | 34% | 0.342 | S | S | . | . | P | Polyproline II helix | trans | -79.3 | 146.9 | 175.4 | -77.2 | -4.5 | 0 | 0 | 0 | 111.8 | G162 N163 V180 | G162-D178 PolarHBondContact O-N 2.97Å; N163-D178 PolarHBondContact ND2-OD2 2.94Å; D178-V180 PolarHBondContact O-N 2.82Å |
| 179 | Q | 95.7 | Very high | 91.4 | Very high | 140 Ų | 140 | 66.7 Ų | 66.7 | 65% | 0.654 | 35% | 0.347 | S | S | * | . | P | Polyproline II helix | trans | -65 | 120.3 | 173.9 | -177.8 | 173.7 | -28.3 | 0 | 0 | 110.4 | K181 Y192 T212 | Q179-K181 PolarHBondContact O-N 2.93Å; Q179-Y192 WeakPolarHBondContact CA-OH 3.4Å; Q179-T212 HydrophobicContact CB-CG2 3.89Å |
| 180 | V | 96.9 | Very high | 92.5 | Very high | 9 Ų | 9 | 70.4 Ų | 70.4 | 6% | 0.055 | 36% | 0.359 | C | S | . | . | P | Polyproline II helix | trans | -67.4 | 131.1 | 170 | 178.1 | 0 | 0 | 0 | 0 | 108.8 | P157 Q159 P161 D178 V189 Y192 P230 | P157-V180 HydrophobicContact CB-CG1 3.84Å; Q159-V180 HydrophobicContact CB-CG1 4.43Å; P161-V180 HydrophobicContact CB-CG2 4.14Å; P161-V180 HydrophobicContact CG-CG2 4.09Å; D178-V180 PolarHBondContact O-N 2.82Å; V180-V189 HydrophobicContact CB-CG2 4.09Å; V180-V189 HydrophobicContact CG1-CG2 4.02Å; V180-V189 WeakPolarHBondContact O-CG2 3.45Å; V180-Y192 HydrophobicContact CB-CE1 4.29Å; V180-Y192 HydrophobicContact CG2-CE1 3.85Å; V180-Y192 PolarHBondContact N-OH 3.16Å; V180-P230 HydrophobicContact CG1-CG 4.38Å; V180-P230 HydrophobicContact CG2-CB 4.48Å; V180-P230 HydrophobicContact CG2-CG 4.39Å |
| 181 | K | 94.4 | Very high | 93.8 | Very high | 161 Ų | 161 | 64.8 Ų | 64.8 | 70% | 0.7 | 33% | 0.329 | S | S | * | . | trans | -104.7 | 122.1 | 173.5 | -64.7 | -176.7 | -178.3 | 179 | 0 | 108.5 | Q179 | Q179-K181 PolarHBondContact O-N 2.93Š| ||
| 182 | A | 95.3 | Very high | 95 | Very high | 37 Ų | 37 | 62.4 Ų | 62.4 | 31% | 0.306 | 31% | 0.312 | S | S | . | . | trans | -68.7 | 142.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | E186 S187 | A182-E186 HydrophobicContact CB-CB 4.13Å; A182-S187 WeakPolarHBondContact CB-O 3.49Å | ||
| 183 | L | 95.7 | Very high | 95.6 | Very high | 82 Ų | 82 | 60.3 Ų | 60.3 | 43% | 0.429 | 30% | 0.303 | S | S | . | . | trans | -72.8 | 163 | 168.3 | -60.5 | 176.4 | 0 | 0 | 0 | 110.6 | N185 E186 | L183-N185 VanDerWaalsContact CB-OD1 3.26Å; L183-N185 WeakPolarHBondContact CB-OD1 3.4Å; L183-N185 PolarHBondContact O-N 3.22Å; L183-N185 VanDerWaalsContact O-N 3.1Å; L183-E186 HydrophobicContact CB-CG 4.11Å; L183-E186 PolarHBondContact N-OE2 3.17Å; L183-E186 WeakPolarHBondContact O-CB 3.42Å; L183-E186 PolarHBondContact O-N 3.07Å | ||
| 184 | D | 94.8 | Very high | 96 | Very high | 157 Ų | 157 | 59.9 Ų | 59.9 | 84% | 0.84 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -29.6 | -178.7 | -68.4 | -25 | 0 | 0 | 0 | 113.5 | K154 | K154-D184 PolarHBondContact NZ-O 3.48Š|
| 185 | N | 95.7 | Very high | 96.2 | Very high | 102 Ų | 102 | 59 Ų | 59 | 55% | 0.545 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | 1.3 | 178.3 | 65.3 | -17.5 | 0 | 0 | 0 | 113.8 | P155 L183 | P155-N185 VanDerWaalsContact CD-O 3.31Å; P155-N185 WeakPolarHBondContact CD-O 3.43Å; P155-N185 WeakPolarHBondContact CG-O 3.35Å; L183-N185 VanDerWaalsContact CB-OD1 3.26Å; L183-N185 WeakPolarHBondContact CB-OD1 3.4Å; L183-N185 PolarHBondContact O-N 3.22Å; L183-N185 VanDerWaalsContact O-N 3.1Å |
| 186 | E | 97.1 | Very high | 96 | Very high | 14 Ų | 14 | 61.2 Ų | 61.2 | 7% | 0.065 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -108.1 | 162.1 | -179.2 | -66.4 | 173.4 | 161.4 | 0 | 0 | 111.8 | K154 P155 P157 S158 A182 L183 | K154-E186 WeakPolarHBondContact CD-O 3.46Å; P155-E186 HydrophobicContact CG-CG 4.44Å; P155-E186 CarbonylContact O-C 3.51Å; P155-E186 WeakPolarHBondContact O-CA 3.13Å; P157-E186 WeakPolarHBondContact CA-OE2 3.43Å; S158-E186 WeakPolarHBondContact CB-OE1 3.48Å; S158-E186 PolarHBondContact N-OE1 3.16Å; S158-E186 PolarHBondContact OG-OE1 3.11Å; A182-E186 HydrophobicContact CB-CB 4.13Å; L183-E186 HydrophobicContact CB-CG 4.11Å; L183-E186 PolarHBondContact N-OE2 3.17Å; L183-E186 WeakPolarHBondContact O-CB 3.42Å; L183-E186 PolarHBondContact O-N 3.07Å |
| 187 | S | 96.9 | Very high | 95.8 | Very high | 12 Ų | 12 | 61.7 Ų | 61.7 | 8% | 0.084 | 30% | 0.302 | C | S | . | . | P | Polyproline II helix | trans | -77.6 | 137.4 | 171.6 | -77.3 | 0 | 0 | 0 | 0 | 110.1 | K154 P155 A182 S232 G234 | K154-S187 WeakPolarHBondContact CB-OG 2.93Å; K154-S187 PolarHBondContact O-OG 2.8Å; P155-S187 PolarHBondContact O-N 3.47Å; A182-S187 WeakPolarHBondContact CB-O 3.49Å; S187-S232 VanDerWaalsContact CB-OG 3.24Å; S187-S232 WeakPolarHBondContact CB-OG 3.35Å; S187-G234 PolarHBondContact OG-N 3.13Å |
| 188 | E | 96.9 | Very high | 95.2 | Very high | 162 Ų | 162 | 64.2 Ų | 64.2 | 76% | 0.757 | 31% | 0.312 | S | S | * | . | P | Polyproline II helix | trans | -57.8 | 136.8 | 178 | -172.3 | 176.5 | -166.1 | 0 | 0 | 112.1 | K190 S232 | E188-K190 PolarHBondContact O-N 3.47Å; E188-S232 WeakPolarHBondContact O-CB 3.3Å |
| 189 | V | 97.1 | Very high | 94 | Very high | 28 Ų | 28 | 65.2 Ų | 65.2 | 17% | 0.17 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 122.1 | 178.2 | 179.6 | 0 | 0 | 0 | 0 | 109.3 | P157 V180 Y192 P230 | P157-V189 HydrophobicContact CB-CG2 4.29Å; P157-V189 HydrophobicContact CG-CG2 3.48Å; P157-V189 VanDerWaalsContact CG-CG2 3.48Å; V180-V189 HydrophobicContact CB-CG2 4.09Å; V180-V189 HydrophobicContact CG1-CG2 4.02Å; V180-V189 WeakPolarHBondContact O-CG2 3.45Å; V189-Y192 HydrophobicContact CG1-CE2 4.37Å; V189-P230 HydrophobicContact CG1-CB 4.12Å; V189-P230 HydrophobicContact CG2-CB 4.38Å |
| 190 | K | 96.9 | Very high | 92.9 | Very high | 110 Ų | 110 | 68.4 Ų | 68.4 | 48% | 0.478 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | -23.1 | 174.3 | -70.7 | -167.1 | 168.6 | -177.3 | 0 | 113.1 | E188 F231 D233 | E188-K190 PolarHBondContact O-N 3.47Å; K190-F231 HydrophobicContact CB-CD2 4.14Å; K190-F231 HydrophobicContact CB-CE2 3.74Å; K190-F231 HydrophobicContact CB-CZ 4.35Å; K190-F231 PolarHBondContact N-O 2.85Å; K190-D233 WeakPolarHBondContact CE-OD1 3.42Å; K190-D233 WeakPolarHBondContact CE-OD2 3.44Å; K190-D233 IonicContact NZ-OD1 2.59Å; K190-D233 PolarHBondContact NZ-OD1 3.07Å; K190-D233 IonicContact NZ-OD2 2.8Å; K190-D233 PolarHBondContact NZ-OD2 2.95Å |
| 191 | G | 97.1 | Very high | 91.6 | Very high | 1 Ų | 1 | 72 Ų | 72 | 1% | 0.01 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 170.3 | -161 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | T209 P230 F231 | G191-T209 CarbonylContact C-O 3.58Å; G191-T209 VanDerWaalsContact CA-O 3.24Å; G191-T209 WeakPolarHBondContact CA-O 3.47Å; G191-P230 CarbonylContact O-C 3.53Å; G191-P230 VanDerWaalsContact O-CA 3.32Å; G191-P230 WeakPolarHBondContact O-CA 3.1Å; G191-F231 VanDerWaalsContact CA-CE1 3.46Å; G191-F231 PolarHBondContact N-O 3.16Å; G191-F231 WeakPolarHBondContact O-CD1 3.38Å; G191-F231 PolarHBondContact O-N 3.22Å |
| 192 | Y | 97.9 | Very high | 90.4 | Very high | 5 Ų | 5 | 70.2 Ų | 70.2 | 2% | 0.02 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 143.3 | -176.7 | -57.7 | -89.4 | 0 | 0 | 0 | 110.7 | P161 W177 Q179 V180 V189 E208 T209 K211 T212 I228 K229 P230 | P161-Y192 HydrophobicContact CB-CE1 4.47Å; P161-Y192 HydrophobicContact CG-CD1 4.05Å; P161-Y192 HydrophobicContact CG-CE1 4.09Å; W177-Y192 AromaticContact CD1-CE1 3.85Å; W177-Y192 AromaticContact CE2-CD2 3.97Å; W177-Y192 AromaticContact CE2-CG 3.79Å; W177-Y192 HydrophobicContact CZ2-CD1 4.43Å; W177-Y192 AromaticContact CZ2-CD2 3.9Å; W177-Y192 HydrophobicContact CZ2-CD2 3.9Å; W177-Y192 AromaticContact CZ2-CG 3.75Å; W177-Y192 HydrophobicContact CZ2-CG 3.75Å; W177-Y192 AromaticContact NE1-CD1 3.26Å; W177-Y192 VanDerWaalsContact NE1-CD1 3.26Å; W177-Y192 AromaticContact NE1-CD2 3.41Å; W177-Y192 AromaticContact NE1-CE1 3.36Å; W177-Y192 AromaticContact NE1-CE2 3.52Å; W177-Y192 AromaticContact NE1-CG 3.3Å; W177-Y192 VanDerWaalsContact NE1-CG 3.3Å; W177-Y192 AromaticContact NE1-CZ 3.51Å; Q179-Y192 WeakPolarHBondContact CA-OH 3.4Å; V180-Y192 HydrophobicContact CB-CE1 4.29Å; V180-Y192 HydrophobicContact CG2-CE1 3.85Å; V180-Y192 PolarHBondContact N-OH 3.16Å; V189-Y192 HydrophobicContact CG1-CE2 4.37Å; Y192-E208 WeakPolarHBondContact O-CA 3.19Å; Y192-T209 PolarHBondContact N-O 2.85Å; Y192-T209 PolarHBondContact O-N 3.32Å; Y192-K211 WeakPolarHBondContact CD2-O 3.11Å; Y192-T212 HydrophobicContact CE2-CG2 4.03Å; Y192-I228 HydrophobicContact CD1-CG2 4.27Å; Y192-K229 CarbonylContact C-O 3.48Å; Y192-K229 VanDerWaalsContact CA-O 3.3Å; Y192-K229 WeakPolarHBondContact CA-O 3.41Å; Y192-P230 HydrophobicContact CD1-CB 4.1Å; Y192-P230 HydrophobicContact CE1-CB 3.99Å |
| 193 | K | 97.4 | Very high | 89.7 | Confident | 39 Ų | 39 | 71.5 Ų | 71.5 | 17% | 0.17 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 123.5 | 167.4 | -63.4 | -179.1 | 176.2 | 176.2 | 0 | 107.9 | L195 V206 I207 E208 I228 K229 F231 D236 | K193-L195 HydrophobicContact CB-CD1 4.11Å; K193-V206 HydrophobicContact CB-CG1 4.07Å; K193-V206 HydrophobicContact CG-CG1 4.4Å; K193-I207 CarbonylContact C-O 3.59Å; K193-I207 WeakPolarHBondContact CA-O 3.38Å; K193-E208 WeakPolarHBondContact CE-OE1 3.14Å; K193-E208 HydrophobicContact CG-CG 4.2Å; K193-E208 IonicContact NZ-OE1 2.76Å; K193-I228 WeakPolarHBondContact O-CA 3.24Å; K193-K229 HydrophobicContact CB-CG 3.94Å; K193-K229 PolarHBondContact N-O 2.99Å; K193-K229 PolarHBondContact O-N 2.82Å; K193-F231 HydrophobicContact CD-CB 4.45Å; K193-F231 HydrophobicContact CG-CB 4.45Å; K193-F231 HydrophobicContact CG-CD1 3.87Å; K193-F231 HydrophobicContact CG-CG 4.46Å; K193-D236 WeakPolarHBondContact CE-OD1 3.19Å; K193-D236 IonicContact NZ-OD1 2.81Å; K193-D236 PolarHBondContact NZ-OD1 2.67Å; K193-D236 IonicContact NZ-OD2 3.26Å |
| 194 | V | 96.5 | Very high | 89.4 | Confident | 0 Ų | 0 | 70.9 Ų | 70.9 | 0% | 0 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 110.6 | 174.2 | -177.9 | 0 | 0 | 0 | 0 | 107.4 | L175 W177 V206 I207 V214 L216 I226 I228 | L175-V194 HydrophobicContact CD1-CG1 4.04Å; W177-V194 HydrophobicContact CH2-CG2 3.87Å; W177-V194 HydrophobicContact CZ3-CG2 4.39Å; V194-V206 WeakPolarHBondContact O-CA 3.36Å; V194-I207 PolarHBondContact N-O 2.65Å; V194-I207 PolarHBondContact O-N 2.84Å; V194-V214 HydrophobicContact CB-CG1 4.36Å; V194-V214 HydrophobicContact CG1-CG1 4.14Å; V194-V214 HydrophobicContact CG2-CB 4.41Å; V194-V214 HydrophobicContact CG2-CG1 3.83Å; V194-L216 HydrophobicContact CG1-CD1 4.4Å; V194-I226 HydrophobicContact CG1-CG2 3.8Å; V194-I228 HydrophobicContact CG1-CG1 4.48Å; V194-I228 HydrophobicContact CG2-CG1 4.37Å; V194-I228 HydrophobicContact CG2-CG2 4.24Å |
| 195 | L | 94.9 | Very high | 89.3 | Confident | 25 Ų | 25 | 65.6 Ų | 65.6 | 13% | 0.131 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 126.2 | 179.9 | -62.4 | 91 | 0 | 0 | 0 | 107.5 | K193 T204 S205 V206 I226 E227 K229 | K193-L195 HydrophobicContact CB-CD1 4.11Å; L195-T204 HydrophobicContact CB-CG2 3.78Å; L195-T204 HydrophobicContact CD2-CG2 4.04Å; L195-T204 HydrophobicContact CG-CG2 4.36Å; L195-S205 CarbonylContact C-O 3.59Å; L195-S205 VanDerWaalsContact CA-O 3.31Å; L195-S205 WeakPolarHBondContact CA-O 3.46Å; L195-V206 HydrophobicContact CD2-CG2 4.19Å; L195-V206 HydrophobicContact CG-CG2 4.1Å; L195-I226 CarbonylContact O-C 3.57Å; L195-I226 VanDerWaalsContact O-CA 3.28Å; L195-I226 WeakPolarHBondContact O-CA 3.47Å; L195-E227 HydrophobicContact CB-CB 4.3Å; L195-E227 PolarHBondContact N-O 2.95Å; L195-E227 PolarHBondContact O-N 2.65Å; L195-K229 HydrophobicContact CD1-CD 4.18Å; L195-K229 HydrophobicContact CD1-CG 3.89Å |
| 196 | Y | 91.6 | Very high | 89.3 | Confident | 47 Ų | 47 | 64.4 Ų | 64.4 | 18% | 0.184 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 144 | 177.4 | 67.3 | -84 | 0 | 0 | 0 | 111 | S205 I207 L218 I225 | Y196-S205 VanDerWaalsContact CE1-CB 3.46Å; Y196-S205 PolarHBondContact N-O 3.18Å; Y196-S205 PolarHBondContact O-N 3.2Å; Y196-S205 WeakPolarHBondContact OH-CB 3.11Å; Y196-I207 HydrophobicContact CD1-CD1 4.34Å; Y196-I207 HydrophobicContact CE1-CD1 3.55Å; Y196-I207 HydrophobicContact CE1-CG1 4.01Å; Y196-L218 HydrophobicContact CD2-CD1 3.99Å; Y196-L218 HydrophobicContact CD2-CD2 3.9Å; Y196-L218 HydrophobicContact CE2-CD1 4.34Å; Y196-L218 HydrophobicContact CE2-CD2 3.45Å; Y196-L218 VanDerWaalsContact CE2-CD2 3.45Å; Y196-L218 HydrophobicContact CG-CD1 4.46Å; Y196-I225 WeakPolarHBondContact CA-O 3.19Å |
| 197 | R | 90.5 | Very high | 89.2 | Confident | 74 Ų | 74 | 66.2 Ų | 66.2 | 28% | 0.279 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 150.4 | 174.6 | 62.3 | -171.9 | 179.3 | 98.4 | -0.4 | 108.6 | Y224 I225 | R197-Y224 WeakPolarHBondContact O-CA 3.13Å; R197-I225 HydrophobicContact CG-CB 4.13Å; R197-I225 PolarHBondContact N-O 2.69Å; R197-I225 PolarHBondContact O-N 3.21Å |
| 198 | W | 84.2 | Confident | 89.2 | Confident | 63 Ų | 63 | 71.5 Ų | 71.5 | 24% | 0.239 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 153 | 171.2 | 59.3 | -66.1 | 0 | 0 | 0 | 110.3 | R200 Q201 E222 D223 Y224 | W198-R200 HydrophobicContact CE3-CB 3.91Å; W198-R200 HydrophobicContact CH2-CB 4.34Å; W198-R200 HydrophobicContact CZ3-CB 3.76Å; W198-R200 HydrophobicContact CZ3-CG 4.38Å; W198-R200 PolarHBondContact O-N 2.96Å; W198-Q201 HydrophobicContact CD2-CB 4.42Å; W198-Q201 HydrophobicContact CD2-CG 4.34Å; W198-Q201 VanDerWaalsContact CE2-CG 3.41Å; W198-Q201 HydrophobicContact CG-CB 4.38Å; W198-Q201 HydrophobicContact CZ2-CB 4.49Å; W198-Q201 HydrophobicContact CZ2-CG 3.56Å; W198-Q201 VanDerWaalsContact CZ2-NE2 3.32Å; W198-Q201 VanDerWaalsContact NE1-CG 3.25Å; W198-Q201 PolarHBondContact O-N 3.22Å; W198-E222 HydrophobicContact CB-CB 4.27Å; W198-E222 HydrophobicContact CD2-CB 4.49Å; W198-E222 HydrophobicContact CD2-CG 4.29Å; W198-E222 HydrophobicContact CE3-CB 3.97Å; W198-E222 HydrophobicContact CE3-CG 3.54Å; W198-E222 VanDerWaalsContact CE3-OE2 3.25Å; W198-E222 HydrophobicContact CZ3-CG 3.83Å; W198-E222 VanDerWaalsContact CZ3-OE1 3.23Å; W198-E222 WeakPolarHBondContact CZ3-OE1 3.34Å; W198-E222 WeakPolarHBondContact CZ3-OE2 3.29Å; W198-D223 CarbonylContact C-O 3.53Å; W198-D223 WeakPolarHBondContact CA-O 3.43Å; W198-D223 WeakPolarHBondContact CB-O 3.21Å; W198-Y224 HydrophobicContact CB-CD1 3.93Å; W198-Y224 HydrophobicContact CB-CE1 3.83Å; W198-Y224 HydrophobicContact CG-CE1 4.44Å |
| 199 | N | 70.1 | Confident | 89.1 | Confident | 101 Ų | 101 | 64.9 Ų | 64.9 | 54% | 0.54 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | -27.3 | -162.1 | -162.4 | 17.6 | 0 | 0 | 0 | 114.4 | D223 | N199-D223 HydrophobicContact CB-CB 4.29Å; N199-D223 PolarHBondContact N-O 2.86Å |
| 200 | R | 72.3 | Confident | 89.1 | Confident | 208 Ų | 208 | 69.7 Ų | 69.7 | 79% | 0.785 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | -12.7 | -179.9 | -68.4 | 180 | 159.5 | -176.1 | -4.7 | 114.7 | W198 | W198-R200 HydrophobicContact CE3-CB 3.91Å; W198-R200 HydrophobicContact CH2-CB 4.34Å; W198-R200 HydrophobicContact CZ3-CB 3.76Å; W198-R200 HydrophobicContact CZ3-CG 4.38Å; W198-R200 PolarHBondContact O-N 2.96Å |
| 201 | Q | 69.8 | Low | 89.1 | Confident | 83 Ų | 83 | 71.1 Ų | 71.1 | 39% | 0.388 | 36% | 0.36 | S | S | . | . | trans | -101.3 | 137.7 | 177.2 | -88.4 | -174.3 | 2.1 | 0 | 0 | 112.3 | W198 S203 | W198-Q201 HydrophobicContact CD2-CB 4.42Å; W198-Q201 HydrophobicContact CD2-CG 4.34Å; W198-Q201 VanDerWaalsContact CE2-CG 3.41Å; W198-Q201 HydrophobicContact CG-CB 4.38Å; W198-Q201 HydrophobicContact CZ2-CB 4.49Å; W198-Q201 HydrophobicContact CZ2-CG 3.56Å; W198-Q201 VanDerWaalsContact CZ2-NE2 3.32Å; W198-Q201 VanDerWaalsContact NE1-CG 3.25Å; W198-Q201 PolarHBondContact O-N 3.22Å; Q201-S203 PolarHBondContact OE1-OG 2.96Å | ||
| 202 | S | 68.9 | Low | 89 | Confident | 125 Ų | 125 | 73.5 Ų | 73.5 | 87% | 0.874 | 37% | 0.374 | S | S | * | . | trans | -81.5 | -18.1 | 172.1 | 52 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 203 | S | 81.6 | Confident | 88.9 | Confident | 63 Ų | 63 | 75.4 Ų | 75.4 | 44% | 0.441 | 39% | 0.388 | S | S | . | . | P | Polyproline II helix | trans | -84.8 | 122.8 | -178.6 | 53 | 0 | 0 | 0 | 0 | 112.2 | Q201 | Q201-S203 PolarHBondContact OE1-OG 2.96Š|
| 204 | T | 90.1 | Very high | 88.8 | Confident | 70 Ų | 70 | 74.4 Ų | 74.4 | 43% | 0.429 | 39% | 0.385 | S | S | . | . | P | Polyproline II helix | trans | -87.1 | 128.9 | 171.5 | -57.9 | 0 | 0 | 0 | 0 | 110.4 | L195 | L195-T204 HydrophobicContact CB-CG2 3.78Å; L195-T204 HydrophobicContact CD2-CG2 4.04Å; L195-T204 HydrophobicContact CG-CG2 4.36Å |
| 205 | S | 91.4 | Very high | 88.6 | Confident | 45 Ų | 45 | 79.1 Ų | 79.1 | 32% | 0.315 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 147.2 | 171 | -64.6 | 0 | 0 | 0 | 0 | 110.3 | L195 Y196 | L195-S205 CarbonylContact C-O 3.59Å; L195-S205 VanDerWaalsContact CA-O 3.31Å; L195-S205 WeakPolarHBondContact CA-O 3.46Å; Y196-S205 VanDerWaalsContact CE1-CB 3.46Å; Y196-S205 PolarHBondContact N-O 3.18Å; Y196-S205 PolarHBondContact O-N 3.2Å; Y196-S205 WeakPolarHBondContact OH-CB 3.11Å |
| 206 | V | 95.1 | Very high | 88.3 | Confident | 78 Ų | 78 | 78 Ų | 78 | 47% | 0.473 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 132.7 | -176.9 | -173.6 | 0 | 0 | 0 | 0 | 110 | K193 V194 L195 | K193-V206 HydrophobicContact CB-CG1 4.07Å; K193-V206 HydrophobicContact CG-CG1 4.4Å; V194-V206 WeakPolarHBondContact O-CA 3.36Å; L195-V206 HydrophobicContact CD2-CG2 4.19Å; L195-V206 HydrophobicContact CG-CG2 4.1Å |
| 207 | I | 95.3 | Very high | 88.1 | Confident | 52 Ų | 52 | 80 Ų | 80 | 27% | 0.267 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 136 | 170.9 | -68.6 | 161.4 | 0 | 0 | 0 | 108.6 | K193 V194 Y196 V214 L216 | K193-I207 CarbonylContact C-O 3.59Å; K193-I207 WeakPolarHBondContact CA-O 3.38Å; V194-I207 PolarHBondContact N-O 2.65Å; V194-I207 PolarHBondContact O-N 2.84Å; Y196-I207 HydrophobicContact CD1-CD1 4.34Å; Y196-I207 HydrophobicContact CE1-CD1 3.55Å; Y196-I207 HydrophobicContact CE1-CG1 4.01Å; I207-V214 HydrophobicContact CG2-CG2 4.03Å; I207-L216 HydrophobicContact CD1-CD2 3.26Å |
| 208 | E | 96.9 | Very high | 87.5 | Confident | 122 Ų | 122 | 77.3 Ų | 77.3 | 57% | 0.57 | 41% | 0.413 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 137 | 174.1 | -54.1 | -164.1 | 160.1 | 0 | 0 | 110.3 | Y192 K193 F231 | Y192-E208 WeakPolarHBondContact O-CA 3.19Å; K193-E208 WeakPolarHBondContact CE-OE1 3.14Å; K193-E208 HydrophobicContact CG-CG 4.2Å; K193-E208 IonicContact NZ-OE1 2.76Å; E208-F231 HydrophobicContact CB-CE1 4.5Å |
| 209 | T | 96.4 | Very high | 86.9 | Confident | 24 Ų | 24 | 77.6 Ų | 77.6 | 15% | 0.147 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 146.3 | 175.7 | 179.6 | 0 | 0 | 0 | 0 | 109.9 | W177 G191 Y192 K211 | W177-T209 HydrophobicContact CH2-CG2 3.96Å; W177-T209 HydrophobicContact CZ2-CG2 3.92Å; G191-T209 CarbonylContact C-O 3.58Å; G191-T209 VanDerWaalsContact CA-O 3.24Å; G191-T209 WeakPolarHBondContact CA-O 3.47Å; Y192-T209 PolarHBondContact N-O 2.85Å; Y192-T209 PolarHBondContact O-N 3.32Å; T209-K211 WeakPolarHBondContact CG2-O 3.35Å; T209-K211 PolarHBondContact OG1-N 3.06Å; T209-K211 VanDerWaalsContact OG1-N 3.11Å |
| 210 | N | 95.8 | Very high | 86.8 | Confident | 128 Ų | 128 | 78.6 Ų | 78.6 | 68% | 0.684 | 42% | 0.423 | S | S | * | . | S | Bend | trans | -93.9 | 1.1 | 170.8 | 65.4 | -7.2 | 0 | 0 | 0 | 112.7 | ||
| 211 | K | 96.1 | Very high | 86.7 | Confident | 140 Ų | 140 | 72 Ų | 72 | 61% | 0.609 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -100.3 | 163.7 | 177.8 | -59.7 | -179 | -177.2 | 176.7 | 0 | 110.4 | W177 Y192 T209 S213 | W177-K211 WeakPolarHBondContact CZ2-O 3.04Å; Y192-K211 WeakPolarHBondContact CD2-O 3.11Å; T209-K211 WeakPolarHBondContact CG2-O 3.35Å; T209-K211 PolarHBondContact OG1-N 3.06Å; T209-K211 VanDerWaalsContact OG1-N 3.11Å; K211-S213 PolarHBondContact O-N 2.87Å |
| 212 | T | 96.1 | Very high | 87.1 | Confident | 51 Ų | 51 | 70.3 Ų | 70.3 | 31% | 0.313 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -86.7 | 22.9 | 172.3 | 55.1 | 0 | 0 | 0 | 0 | 113.4 | N176 W177 Q179 Y192 | N176-T212 WeakPolarHBondContact CA-O 3.18Å; W177-T212 PolarHBondContact N-O 2.68Å; W177-T212 VanDerWaalsContact O-CB 3.27Å; W177-T212 WeakPolarHBondContact O-CB 3.41Å; Q179-T212 HydrophobicContact CB-CG2 3.89Å; Y192-T212 HydrophobicContact CE2-CG2 4.03Å |
| 213 | S | 95.5 | Very high | 87.9 | Confident | 45 Ų | 45 | 67.6 Ų | 67.6 | 32% | 0.315 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 151.6 | 175.6 | 65.9 | 0 | 0 | 0 | 0 | 111.8 | L175 N176 K211 | L175-S213 CarbonylContact O-C 3.58Å; L175-S213 WeakPolarHBondContact O-CA 3.34Å; L175-S213 WeakPolarHBondContact O-CB 3.24Å; N176-S213 VanDerWaalsContact OD1-CB 3.24Å; N176-S213 WeakPolarHBondContact OD1-CB 3.27Å; K211-S213 PolarHBondContact O-N 2.87Å |
| 214 | V | 95.2 | Very high | 88.2 | Confident | 18 Ų | 18 | 65.1 Ų | 65.1 | 11% | 0.109 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 146.1 | 171.5 | 74.3 | 0 | 0 | 0 | 0 | 110.4 | I174 L175 W177 V194 I207 L216 | I174-V214 WeakPolarHBondContact CA-O 3.49Å; L175-V214 HydrophobicContact CB-CG1 3.94Å; L175-V214 HydrophobicContact CD1-CG1 3.76Å; L175-V214 HydrophobicContact CG-CG1 4.45Å; L175-V214 PolarHBondContact N-O 2.9Å; L175-V214 PolarHBondContact O-N 2.81Å; W177-V214 HydrophobicContact CH2-CB 4.14Å; W177-V214 HydrophobicContact CH2-CG1 4.14Å; W177-V214 HydrophobicContact CZ3-CB 4.41Å; W177-V214 HydrophobicContact CZ3-CG1 4.05Å; V194-V214 HydrophobicContact CB-CG1 4.36Å; V194-V214 HydrophobicContact CG1-CG1 4.14Å; V194-V214 HydrophobicContact CG2-CB 4.41Å; V194-V214 HydrophobicContact CG2-CG1 3.83Å; I207-V214 HydrophobicContact CG2-CG2 4.03Å; V214-L216 HydrophobicContact CG1-CD2 4.02Å; V214-L216 HydrophobicContact CG1-CG 4.12Å; V214-L216 HydrophobicContact CG2-CD2 3.94Å |
| 215 | E | 92.8 | Very high | 88.2 | Confident | 99 Ų | 99 | 62.2 Ų | 62.2 | 46% | 0.463 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 121 | 169.9 | -176.8 | -179.7 | 133.8 | 0 | 0 | 108.7 | K172 I174 | K172-E215 HydrophobicContact CB-CG 4.41Å; K172-E215 HydrophobicContact CD-CG 4.4Å; K172-E215 WeakPolarHBondContact CD-OE1 3.45Å; K172-E215 WeakPolarHBondContact CE-OE1 3.1Å; K172-E215 IonicContact NZ-OE1 2.65Å; K172-E215 PolarHBondContact NZ-OE1 3.11Å; I174-E215 HydrophobicContact CG1-CB 4.39Å; I174-E215 HydrophobicContact CG1-CG 4.07Å |
| 216 | L | 89.1 | Confident | 88.3 | Confident | 3 Ų | 3 | 60.1 Ų | 60.1 | 2% | 0.016 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 119.6 | 179.8 | -53.4 | 179.2 | 0 | 0 | 0 | 108.8 | K172 I173 L175 V194 I207 V214 L218 I226 | K172-L216 CarbonylContact C-O 3.59Å; K172-L216 WeakPolarHBondContact CA-O 3.36Å; I173-L216 HydrophobicContact CB-CB 4.29Å; I173-L216 PolarHBondContact N-O 2.99Å; I173-L216 PolarHBondContact O-N 2.77Å; L175-L216 HydrophobicContact CD1-CD1 3.69Å; L175-L216 HydrophobicContact CD1-CG 4.34Å; V194-L216 HydrophobicContact CG1-CD1 4.4Å; I207-L216 HydrophobicContact CD1-CD2 3.26Å; V214-L216 HydrophobicContact CG1-CD2 4.02Å; V214-L216 HydrophobicContact CG1-CG 4.12Å; V214-L216 HydrophobicContact CG2-CD2 3.94Å; L216-L218 HydrophobicContact CB-CD1 3.75Å; L216-L218 HydrophobicContact CB-CG 3.85Å; L216-L218 HydrophobicContact CD1-CD1 3.85Å; L216-L218 HydrophobicContact CG-CD1 4.43Å; L216-L218 PolarHBondContact O-N 3.45Å; L216-I226 HydrophobicContact CD1-CD1 3.75Å |
| 217 | S | 86.2 | Confident | 88.3 | Confident | 89 Ų | 89 | 58.8 Ų | 58.8 | 62% | 0.622 | 31% | 0.308 | S | S | * | . | trans | -85.7 | 81.4 | 172.5 | -62.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 218 | L | 78.5 | Confident | 88.3 | Confident | 16 Ų | 16 | 56.3 Ų | 56.3 | 8% | 0.084 | 30% | 0.296 | C | S | . | . | trans | -112.3 | 140.3 | -176.1 | -64.9 | 173.3 | 0 | 0 | 0 | 110.5 | S171 I173 Y196 L216 Y224 | S171-L218 CarbonylContact C-O 3.52Å; S171-L218 PolarHBondContact O-N 2.94Å; I173-L218 HydrophobicContact CD1-CB 4.34Å; I173-L218 HydrophobicContact CD1-CD1 4.11Å; Y196-L218 HydrophobicContact CD2-CD1 3.99Å; Y196-L218 HydrophobicContact CD2-CD2 3.9Å; Y196-L218 HydrophobicContact CE2-CD1 4.34Å; Y196-L218 HydrophobicContact CE2-CD2 3.45Å; Y196-L218 VanDerWaalsContact CE2-CD2 3.45Å; Y196-L218 HydrophobicContact CG-CD1 4.46Å; L216-L218 HydrophobicContact CB-CD1 3.75Å; L216-L218 HydrophobicContact CB-CG 3.85Å; L216-L218 HydrophobicContact CD1-CD1 3.85Å; L216-L218 HydrophobicContact CG-CD1 4.43Å; L216-L218 PolarHBondContact O-N 3.45Å; L218-Y224 HydrophobicContact CB-CE1 4.17Å; L218-Y224 HydrophobicContact CB-CE2 4.21Å; L218-Y224 HydrophobicContact CD1-CD1 3.87Å; L218-Y224 HydrophobicContact CD1-CE1 3.9Å; L218-Y224 HydrophobicContact CD1-CG 4.28Å; L218-Y224 HydrophobicContact CD2-CE1 4.06Å; L218-Y224 HydrophobicContact CG-CE1 4.25Å | ||
| 219 | P | 72.4 | Confident | 88.3 | Confident | 70 Ų | 70 | 52.5 Ų | 52.5 | 46% | 0.455 | 28% | 0.277 | S | S | . | . | trans | -50.1 | 140.3 | 167.5 | -25.5 | 32.6 | 0 | 0 | 0 | 111.2 | D221 Y224 | P219-D221 VanDerWaalsContact C-N 3.34Å; P219-D221 WeakPolarHBondContact CB-OD1 3.16Å; P219-Y224 WeakPolarHBondContact CD-OH 3.44Å; P219-Y224 WeakPolarHBondContact O-CE2 3.46Å; P219-Y224 PolarHBondContact O-OH 3.4Å; P219-Y224 VanDerWaalsContact O-OH 3.09Å | ||
| 220 | F | 66.9 | Low | 88.4 | Confident | 122 Ų | 122 | 51.4 Ų | 51.4 | 54% | 0.535 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -89.1 | -4.5 | -177 | 54.7 | -95.4 | 0 | 0 | 0 | 113 | E222 I248 | F220-E222 VanDerWaalsContact C-N 3.35Å; F220-I248 HydrophobicContact CB-CB 4.46Å; F220-I248 WeakPolarHBondContact CD2-O 3.45Å; F220-I248 PolarHBondContact O-N 3.03Å |
| 221 | D | 69.8 | Low | 88.4 | Confident | 70 Ų | 70 | 47.2 Ų | 47.2 | 37% | 0.374 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -89.9 | 3.8 | -170.4 | 66 | -33.8 | 0 | 0 | 0 | 114.2 | P219 K247 | P219-D221 VanDerWaalsContact C-N 3.34Å; P219-D221 WeakPolarHBondContact CB-OD1 3.16Å; D221-K247 WeakPolarHBondContact O-CD 3.43Å; D221-K247 VanDerWaalsContact O-CE 3.25Å; D221-K247 WeakPolarHBondContact O-CE 3.45Å; D221-K247 PolarHBondContact O-NZ 2.87Å |
| 222 | E | 79.8 | Confident | 88.5 | Confident | 46 Ų | 46 | 41 Ų | 41 | 22% | 0.215 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -128.5 | 156.2 | -176.6 | -66.3 | -66.2 | 172.9 | 0 | 0 | 112.3 | W198 F220 Y224 | W198-E222 HydrophobicContact CB-CB 4.27Å; W198-E222 HydrophobicContact CD2-CB 4.49Å; W198-E222 HydrophobicContact CD2-CG 4.29Å; W198-E222 HydrophobicContact CE3-CB 3.97Å; W198-E222 HydrophobicContact CE3-CG 3.54Å; W198-E222 VanDerWaalsContact CE3-OE2 3.25Å; W198-E222 HydrophobicContact CZ3-CG 3.83Å; W198-E222 VanDerWaalsContact CZ3-OE1 3.23Å; W198-E222 WeakPolarHBondContact CZ3-OE1 3.34Å; W198-E222 WeakPolarHBondContact CZ3-OE2 3.29Å; F220-E222 VanDerWaalsContact C-N 3.35Å; E222-Y224 HydrophobicContact CB-CE2 4.02Å; E222-Y224 WeakPolarHBondContact O-CD2 3.3Å; E222-Y224 WeakPolarHBondContact O-CE2 3.14Å |
| 223 | D | 85.4 | Confident | 88.5 | Confident | 69 Ų | 69 | 41.7 Ų | 41.7 | 37% | 0.369 | 22% | 0.222 | S | C | . | . | trans | -85.7 | 124.1 | 173.8 | -62.5 | -52.3 | 0 | 0 | 0 | 110.7 | W198 N199 P246 K247 | W198-D223 CarbonylContact C-O 3.53Å; W198-D223 WeakPolarHBondContact CA-O 3.43Å; W198-D223 WeakPolarHBondContact CB-O 3.21Å; N199-D223 HydrophobicContact CB-CB 4.29Å; N199-D223 PolarHBondContact N-O 2.86Å; D223-P246 VanDerWaalsContact OD1-CA 3.31Å; D223-P246 WeakPolarHBondContact OD1-CA 3.35Å; D223-K247 PolarHBondContact OD1-N 2.76Å | ||
| 224 | Y | 87.3 | Confident | 88.5 | Confident | 11 Ų | 11 | 39.6 Ų | 39.6 | 4% | 0.043 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 141.8 | 179.2 | -65.6 | -87 | 0 | 0 | 0 | 112.5 | I173 R197 W198 L218 P219 E222 R244 I245 | I173-Y224 HydrophobicContact CD1-CD2 4.34Å; R197-Y224 WeakPolarHBondContact O-CA 3.13Å; W198-Y224 HydrophobicContact CB-CD1 3.93Å; W198-Y224 HydrophobicContact CB-CE1 3.83Å; W198-Y224 HydrophobicContact CG-CE1 4.44Å; L218-Y224 HydrophobicContact CB-CE1 4.17Å; L218-Y224 HydrophobicContact CB-CE2 4.21Å; L218-Y224 HydrophobicContact CD1-CD1 3.87Å; L218-Y224 HydrophobicContact CD1-CE1 3.9Å; L218-Y224 HydrophobicContact CD1-CG 4.28Å; L218-Y224 HydrophobicContact CD2-CE1 4.06Å; L218-Y224 HydrophobicContact CG-CE1 4.25Å; P219-Y224 WeakPolarHBondContact CD-OH 3.44Å; P219-Y224 WeakPolarHBondContact O-CE2 3.46Å; P219-Y224 PolarHBondContact O-OH 3.4Å; P219-Y224 VanDerWaalsContact O-OH 3.09Å; E222-Y224 HydrophobicContact CB-CE2 4.02Å; E222-Y224 WeakPolarHBondContact O-CD2 3.3Å; E222-Y224 WeakPolarHBondContact O-CE2 3.14Å; Y224-R244 WeakPolarHBondContact O-CA 3.35Å; Y224-I245 PolarHBondContact N-O 3.22Å; Y224-I245 PolarHBondContact O-N 2.92Å |
| 225 | I | 90.8 | Very high | 88.5 | Confident | 9 Ų | 9 | 39.9 Ų | 39.9 | 5% | 0.046 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 123.5 | 166.9 | -60.7 | 173.3 | 0 | 0 | 0 | 106.8 | Y196 R197 Q242 I243 R244 | Y196-I225 WeakPolarHBondContact CA-O 3.19Å; R197-I225 HydrophobicContact CG-CB 4.13Å; R197-I225 PolarHBondContact N-O 2.69Å; R197-I225 PolarHBondContact O-N 3.21Å; I225-Q242 HydrophobicContact CG2-CB 4.04Å; I225-Q242 HydrophobicContact CG2-CG 3.87Å; I225-I243 CarbonylContact C-O 3.58Å; I225-I243 WeakPolarHBondContact CA-O 3.41Å; I225-R244 HydrophobicContact CG1-CG 4.49Å |
| 226 | I | 92.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 136.8 | -178.6 | -54.2 | -172.3 | 0 | 0 | 0 | 109.7 | I173 L175 V194 L195 L216 I228 I243 I245 | I173-I226 HydrophobicContact CG2-CD1 4.46Å; L175-I226 HydrophobicContact CD1-CD1 3.87Å; L175-I226 HydrophobicContact CD1-CG2 3.9Å; V194-I226 HydrophobicContact CG1-CG2 3.8Å; L195-I226 CarbonylContact O-C 3.57Å; L195-I226 VanDerWaalsContact O-CA 3.28Å; L195-I226 WeakPolarHBondContact O-CA 3.47Å; L216-I226 HydrophobicContact CD1-CD1 3.75Å; I226-I228 HydrophobicContact CG2-CG1 4.36Å; I226-I243 HydrophobicContact CB-CB 4.31Å; I226-I243 PolarHBondContact N-O 3.02Å; I226-I243 WeakPolarHBondContact O-CB 3.32Å; I226-I243 PolarHBondContact O-N 2.76Å; I226-I245 HydrophobicContact CD1-CD1 3.57Å; I226-I245 HydrophobicContact CD1-CG1 4.42Å; I226-I245 HydrophobicContact CG1-CD1 4.42Å |
| 227 | E | 95.2 | Very high | 89 | Confident | 51 Ų | 51 | 38.9 Ų | 38.9 | 24% | 0.238 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 138.5 | 173.6 | -70.5 | 172.5 | 170.7 | 0 | 0 | 108.3 | L195 Q242 | L195-E227 HydrophobicContact CB-CB 4.3Å; L195-E227 PolarHBondContact N-O 2.95Å; L195-E227 PolarHBondContact O-N 2.65Å; E227-Q242 HydrophobicContact CG-CG 3.8Å; E227-Q242 WeakPolarHBondContact OE1-CG 3.48Å; E227-Q242 PolarHBondContact OE1-NE2 3.25Å |
| 228 | I | 96.5 | Very high | 89.5 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 127.4 | 178.9 | -48.9 | -177.4 | 0 | 0 | 0 | 108.1 | P161 I164 L175 W177 Y192 K193 V194 I226 S240 I243 | P161-I228 HydrophobicContact CB-CG2 4.5Å; P161-I228 WeakPolarHBondContact CD-O 3.3Å; P161-I228 HydrophobicContact CG-CB 4.25Å; P161-I228 HydrophobicContact CG-CG2 3.93Å; I164-I228 HydrophobicContact CD1-CD1 4.26Å; I164-I228 HydrophobicContact CG2-CD1 3.81Å; L175-I228 HydrophobicContact CD2-CD1 4.38Å; W177-I228 HydrophobicContact CD2-CD1 3.99Å; W177-I228 HydrophobicContact CD2-CG2 4.26Å; W177-I228 HydrophobicContact CE3-CD1 3.48Å; W177-I228 VanDerWaalsContact CE3-CD1 3.48Å; W177-I228 HydrophobicContact CZ2-CG2 4.23Å; W177-I228 HydrophobicContact CZ3-CD1 3.79Å; Y192-I228 HydrophobicContact CD1-CG2 4.27Å; K193-I228 WeakPolarHBondContact O-CA 3.24Å; V194-I228 HydrophobicContact CG1-CG1 4.48Å; V194-I228 HydrophobicContact CG2-CG1 4.37Å; V194-I228 HydrophobicContact CG2-CG2 4.24Å; I226-I228 HydrophobicContact CG2-CG1 4.36Å; I228-S240 PolarHBondContact N-OG 2.92Å; I228-S240 WeakPolarHBondContact O-CB 3.31Å; I228-S240 PolarHBondContact O-N 2.58Å; I228-S240 PolarHBondContact O-OG 2.91Å; I228-I243 HydrophobicContact CD1-CD1 4.48Å |
| 229 | K | 96.8 | Very high | 90.3 | Very high | 42 Ų | 42 | 38.6 Ų | 38.6 | 18% | 0.183 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 143 | 174.1 | 60.5 | 175 | 130.6 | 171.9 | 0 | 111.1 | Y192 K193 L195 D236 | Y192-K229 CarbonylContact C-O 3.48Å; Y192-K229 VanDerWaalsContact CA-O 3.3Å; Y192-K229 WeakPolarHBondContact CA-O 3.41Å; K193-K229 HydrophobicContact CB-CG 3.94Å; K193-K229 PolarHBondContact N-O 2.99Å; K193-K229 PolarHBondContact O-N 2.82Å; L195-K229 HydrophobicContact CD1-CD 4.18Å; L195-K229 HydrophobicContact CD1-CG 3.89Å; K229-D236 HydrophobicContact CD-CB 3.93Å; K229-D236 IonicContact NZ-OD2 2.86Å; K229-D236 PolarHBondContact NZ-OD2 3.26Å |
| 230 | P | 97.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 154.3 | 169.5 | 31.9 | -31.6 | 0 | 0 | 0 | 109.8 | P157 V180 V189 G191 Y192 G237 S238 | P157-P230 HydrophobicContact CB-CG 4.07Å; P157-P230 HydrophobicContact CG-CB 4.38Å; P157-P230 HydrophobicContact CG-CG 4.31Å; V180-P230 HydrophobicContact CG1-CG 4.38Å; V180-P230 HydrophobicContact CG2-CB 4.48Å; V180-P230 HydrophobicContact CG2-CG 4.39Å; V189-P230 HydrophobicContact CG1-CB 4.12Å; V189-P230 HydrophobicContact CG2-CB 4.38Å; G191-P230 CarbonylContact O-C 3.53Å; G191-P230 VanDerWaalsContact O-CA 3.32Å; G191-P230 WeakPolarHBondContact O-CA 3.1Å; Y192-P230 HydrophobicContact CD1-CB 4.1Å; Y192-P230 HydrophobicContact CE1-CB 3.99Å; P230-G237 PolarHBondContact O-N 2.82Å; P230-S238 WeakPolarHBondContact CD-O 3.48Å |
| 231 | F | 97 | Very high | 92.6 | Very high | 41 Ų | 41 | 36 Ų | 36 | 18% | 0.18 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 150.6 | 167.7 | 74.8 | -90.5 | 0 | 0 | 0 | 110.5 | K190 G191 K193 E208 G235 | K190-F231 HydrophobicContact CB-CD2 4.14Å; K190-F231 HydrophobicContact CB-CE2 3.74Å; K190-F231 HydrophobicContact CB-CZ 4.35Å; K190-F231 PolarHBondContact N-O 2.85Å; G191-F231 VanDerWaalsContact CA-CE1 3.46Å; G191-F231 PolarHBondContact N-O 3.16Å; G191-F231 WeakPolarHBondContact O-CD1 3.38Å; G191-F231 PolarHBondContact O-N 3.22Å; K193-F231 HydrophobicContact CD-CB 4.45Å; K193-F231 HydrophobicContact CG-CB 4.45Å; K193-F231 HydrophobicContact CG-CD1 3.87Å; K193-F231 HydrophobicContact CG-CG 4.46Å; E208-F231 HydrophobicContact CB-CE1 4.5Å; F231-G235 WeakPolarHBondContact CA-O 3.24Å |
| 232 | S | 97.1 | Very high | 93.7 | Very high | 10 Ų | 10 | 36.4 Ų | 36.4 | 7% | 0.07 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | -177 | 179.6 | 68.2 | 0 | 0 | 0 | 0 | 110.8 | P156 S187 E188 G234 G235 | P156-S232 WeakPolarHBondContact CA-OG 3.26Å; S187-S232 VanDerWaalsContact CB-OG 3.24Å; S187-S232 WeakPolarHBondContact CB-OG 3.35Å; E188-S232 WeakPolarHBondContact O-CB 3.3Å; S232-G234 PolarHBondContact O-N 2.88Å; S232-G234 PolarHBondContact OG-N 3.35Å; S232-G234 VanDerWaalsContact OG-N 3.11Å; S232-G235 PolarHBondContact N-O 3.3Å; S232-G235 PolarHBondContact O-N 3.29Å |
| 233 | D | 96.3 | Very high | 94.2 | Very high | 64 Ų | 64 | 34.5 Ų | 34.5 | 34% | 0.342 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -24.4 | 168.3 | -84.1 | -29.7 | 0 | 0 | 0 | 113 | R153 K190 G235 | R153-D233 WeakPolarHBondContact CD-O 3.32Å; R153-D233 VanDerWaalsContact NH1-CB 3.31Å; R153-D233 IonicContact NH1-OD1 2.91Å; R153-D233 PolarHBondContact NH1-OD1 3.24Å; R153-D233 IonicContact NH1-OD2 3.71Å; K190-D233 WeakPolarHBondContact CE-OD1 3.42Å; K190-D233 WeakPolarHBondContact CE-OD2 3.44Å; K190-D233 IonicContact NZ-OD1 2.59Å; K190-D233 PolarHBondContact NZ-OD1 3.07Å; K190-D233 IonicContact NZ-OD2 2.8Å; K190-D233 PolarHBondContact NZ-OD2 2.95Å; D233-G235 VanDerWaalsContact C-N 3.27Å; D233-G235 PolarHBondContact O-N 2.91Å |
| 234 | G | 95.2 | Very high | 94.4 | Very high | 2 Ų | 2 | 38.7 Ų | 38.7 | 2% | 0.021 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -16.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | A71 K154 S187 S232 | A71-G234 VanDerWaalsContact CB-O 3.29Å; A71-G234 WeakPolarHBondContact CB-O 3.49Å; A71-G234 PolarHBondContact N-O 3.11Å; K154-G234 WeakPolarHBondContact O-CA 3.01Å; S187-G234 PolarHBondContact OG-N 3.13Å; S232-G234 PolarHBondContact O-N 2.88Å; S232-G234 PolarHBondContact OG-N 3.35Å; S232-G234 VanDerWaalsContact OG-N 3.11Å |
| 235 | G | 96.8 | Very high | 94.4 | Very high | 23 Ų | 23 | 38.3 Ų | 38.3 | 24% | 0.237 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 119.2 | -154.9 | -173.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | P156 F231 S232 D233 | P156-G235 WeakPolarHBondContact CB-O 3.42Å; F231-G235 WeakPolarHBondContact CA-O 3.24Å; S232-G235 PolarHBondContact N-O 3.3Å; S232-G235 PolarHBondContact O-N 3.29Å; D233-G235 VanDerWaalsContact C-N 3.27Å; D233-G235 PolarHBondContact O-N 2.91Å |
| 236 | D | 96.5 | Very high | 94 | Very high | 69 Ų | 69 | 41.2 Ų | 41.2 | 37% | 0.369 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 128.4 | 176.6 | -76.9 | 7.7 | 0 | 0 | 0 | 110.2 | P156 K193 K229 | P156-D236 WeakPolarHBondContact CG-O 3.43Å; K193-D236 WeakPolarHBondContact CE-OD1 3.19Å; K193-D236 IonicContact NZ-OD1 2.81Å; K193-D236 PolarHBondContact NZ-OD1 2.67Å; K193-D236 IonicContact NZ-OD2 3.26Å; K229-D236 HydrophobicContact CD-CB 3.93Å; K229-D236 IonicContact NZ-OD2 2.86Å; K229-D236 PolarHBondContact NZ-OD2 3.26Å |
| 237 | G | 95.4 | Very high | 93.4 | Very high | 13 Ų | 13 | 46.2 Ų | 46.2 | 13% | 0.134 | 24% | 0.24 | C | C | . | . | trans | -83.6 | -172.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | P157 P230 S239 | P157-G237 WeakPolarHBondContact O-CA 3.5Å; P230-G237 PolarHBondContact O-N 2.82Å; G237-S239 PolarHBondContact O-N 3.3Å | ||
| 238 | S | 95.7 | Very high | 92.2 | Very high | 50 Ų | 50 | 45 Ų | 45 | 35% | 0.35 | 24% | 0.235 | S | C | . | . | P | Polyproline II helix | trans | -64.1 | 132.3 | -178.7 | -66.8 | 0 | 0 | 0 | 0 | 112.3 | P157 S158 P230 | P157-S238 PolarHBondContact O-N 2.76Å; P157-S238 VanDerWaalsContact O-N 3.07Å; S158-S238 VanDerWaalsContact C-OG 3.28Å; S158-S238 WeakPolarHBondContact O-CB 3.18Å; S158-S238 PolarHBondContact O-OG 2.89Å; P230-S238 WeakPolarHBondContact CD-O 3.48Å |
| 239 | S | 95.9 | Very high | 90.5 | Very high | 49 Ų | 49 | 49.8 Ų | 49.8 | 34% | 0.343 | 27% | 0.269 | S | S | . | . | P | Polyproline II helix | trans | -75.5 | 147.1 | 176.1 | -170.6 | 0 | 0 | 0 | 0 | 111.6 | P160 G237 | P160-S239 WeakPolarHBondContact CB-O 3.33Å; G237-S239 PolarHBondContact O-N 3.3Å |
| 240 | S | 95.7 | Very high | 88.5 | Confident | 10 Ų | 10 | 54.9 Ų | 54.9 | 7% | 0.07 | 30% | 0.298 | C | S | . | . | P | Polyproline II helix | trans | -60.2 | 163.4 | 162.3 | 74.5 | 0 | 0 | 0 | 0 | 111.2 | I228 | I228-S240 PolarHBondContact N-OG 2.92Å; I228-S240 WeakPolarHBondContact O-CB 3.31Å; I228-S240 PolarHBondContact O-N 2.58Å; I228-S240 PolarHBondContact O-OG 2.91Å |
| 241 | E | 92.6 | Very high | 86.6 | Confident | 126 Ų | 126 | 57.7 Ų | 57.7 | 59% | 0.589 | 32% | 0.321 | S | S | * | . | P | Polyproline II helix | trans | -56.3 | 156.2 | 161.7 | -66.9 | -58.6 | 142.9 | 0 | 0 | 111.4 | I243 A258 | E241-I243 PolarHBondContact O-N 3.32Å; E241-A258 HydrophobicContact CG-CB 4.45Å |
| 242 | Q | 92.6 | Very high | 85 | Confident | 79 Ų | 79 | 63.5 Ų | 63.5 | 37% | 0.369 | 34% | 0.343 | S | S | . | . | P | Polyproline II helix | trans | -67.8 | 118.1 | 176.4 | -78.5 | -178.9 | -1.9 | 0 | 0 | 111.1 | I225 E227 | I225-Q242 HydrophobicContact CG2-CB 4.04Å; I225-Q242 HydrophobicContact CG2-CG 3.87Å; E227-Q242 HydrophobicContact CG-CG 3.8Å; E227-Q242 WeakPolarHBondContact OE1-CG 3.48Å; E227-Q242 PolarHBondContact OE1-NE2 3.25Å |
| 243 | I | 90.8 | Very high | 83.7 | Confident | 6 Ų | 6 | 64.6 Ų | 64.6 | 3% | 0.031 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 117.9 | 175.4 | -55.9 | 161.3 | 0 | 0 | 0 | 107.6 | I164 L175 I225 I226 I228 E241 I245 | I164-I243 HydrophobicContact CB-CD1 4.08Å; I164-I243 HydrophobicContact CD1-CD1 3.92Å; I164-I243 HydrophobicContact CG2-CD1 3.45Å; I164-I243 VanDerWaalsContact CG2-CD1 3.45Å; L175-I243 HydrophobicContact CD2-CD1 4.41Å; I225-I243 CarbonylContact C-O 3.58Å; I225-I243 WeakPolarHBondContact CA-O 3.41Å; I226-I243 HydrophobicContact CB-CB 4.31Å; I226-I243 PolarHBondContact N-O 3.02Å; I226-I243 WeakPolarHBondContact O-CB 3.32Å; I226-I243 PolarHBondContact O-N 2.76Å; I228-I243 HydrophobicContact CD1-CD1 4.48Å; E241-I243 PolarHBondContact O-N 3.32Å; I243-I245 HydrophobicContact CG2-CG1 4.18Å |
| 244 | R | 89.8 | Confident | 82.8 | Confident | 158 Ų | 158 | 70.7 Ų | 70.7 | 60% | 0.596 | 37% | 0.371 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 117 | 176 | -64.1 | -179.8 | -173.3 | -85.5 | -6.3 | 109.1 | Y224 I225 | Y224-R244 WeakPolarHBondContact O-CA 3.35Å; I225-R244 HydrophobicContact CG1-CG 4.49Å |
| 245 | I | 86.5 | Confident | 82.1 | Confident | 2 Ų | 2 | 71.6 Ų | 71.6 | 1% | 0.01 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 107.8 | 172.7 | -57.9 | -175 | 0 | 0 | 0 | 106.5 | W166 I173 Y224 I226 I243 I248 | W166-I245 HydrophobicContact CB-CD1 4.26Å; W166-I245 HydrophobicContact CD2-CD1 3.89Å; W166-I245 HydrophobicContact CD2-CG1 3.94Å; W166-I245 HydrophobicContact CE3-CD1 4.08Å; W166-I245 HydrophobicContact CE3-CG1 4.27Å; W166-I245 HydrophobicContact CE3-CG2 4.19Å; W166-I245 HydrophobicContact CG-CD1 3.97Å; W166-I245 HydrophobicContact CG-CG1 4.28Å; W166-I245 HydrophobicContact CH2-CG2 4.02Å; W166-I245 HydrophobicContact CZ2-CG1 4.31Å; W166-I245 HydrophobicContact CZ2-CG2 4.48Å; W166-I245 HydrophobicContact CZ3-CG2 3.86Å; I173-I245 HydrophobicContact CD1-CD1 4.02Å; I173-I245 HydrophobicContact CD1-CG2 3.96Å; I173-I245 HydrophobicContact CG1-CD1 4.49Å; I173-I245 HydrophobicContact CG2-CD1 3.48Å; I173-I245 VanDerWaalsContact CG2-CD1 3.48Å; Y224-I245 PolarHBondContact N-O 3.22Å; Y224-I245 PolarHBondContact O-N 2.92Å; I226-I245 HydrophobicContact CD1-CD1 3.57Å; I226-I245 HydrophobicContact CD1-CG1 4.42Å; I226-I245 HydrophobicContact CG1-CD1 4.42Å; I243-I245 HydrophobicContact CG2-CG1 4.18Å; I245-I248 HydrophobicContact CG2-CD1 4.45Å |
| 246 | P | 83 | Confident | 81.3 | Confident | 70 Ų | 70 | 74.6 Ų | 74.6 | 46% | 0.455 | 40% | 0.397 | S | S | . | . | trans | -70 | 159.1 | -177.9 | 30.4 | -34.9 | 0 | 0 | 0 | 110.7 | D223 I248 | D223-P246 VanDerWaalsContact OD1-CA 3.31Å; D223-P246 WeakPolarHBondContact OD1-CA 3.35Å; P246-I248 WeakPolarHBondContact O-CG1 3.24Å; P246-I248 PolarHBondContact O-N 2.68Å | ||
| 247 | K | 78.4 | Confident | 79.9 | Confident | 106 Ų | 106 | 71.9 Ų | 71.9 | 46% | 0.461 | 39% | 0.386 | S | S | . | . | trans | -48.9 | 129.2 | 166.8 | 174.8 | 177.4 | -172.1 | 133.9 | 0 | 110.9 | D221 D223 | D221-K247 WeakPolarHBondContact O-CD 3.43Å; D221-K247 VanDerWaalsContact O-CE 3.25Å; D221-K247 WeakPolarHBondContact O-CE 3.45Å; D221-K247 PolarHBondContact O-NZ 2.87Å; D223-K247 PolarHBondContact OD1-N 2.76Å | ||
| 248 | I | 70.1 | Confident | 77.8 | Confident | 25 Ų | 25 | 74.9 Ų | 74.9 | 13% | 0.128 | 41% | 0.409 | C | S | . | . | trans | -106.7 | 111.9 | -175.3 | -50.6 | -178.1 | 0 | 0 | 0 | 108.3 | S168 F220 I245 P246 N250 A253 | S168-I248 WeakPolarHBondContact OG-CD1 3.41Å; F220-I248 HydrophobicContact CB-CB 4.46Å; F220-I248 WeakPolarHBondContact CD2-O 3.45Å; F220-I248 PolarHBondContact O-N 3.03Å; I245-I248 HydrophobicContact CG2-CD1 4.45Å; P246-I248 WeakPolarHBondContact O-CG1 3.24Å; P246-I248 PolarHBondContact O-N 2.68Å; I248-N250 VanDerWaalsContact CG2-O 3.24Å; I248-N250 WeakPolarHBondContact CG2-O 3.27Å; I248-A253 HydrophobicContact CD1-CB 3.88Å; I248-A253 HydrophobicContact CG1-CB 4.35Å; I248-A253 HydrophobicContact CG2-CB 4.4Å | ||
| 249 | S | 60.3 | Low | 75.4 | Confident | 101 Ų | 101 | 76.3 Ų | 76.3 | 71% | 0.706 | 42% | 0.419 | S | S | * | . | trans | -93.6 | -10.8 | -174.4 | -51.8 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 250 | N | 55.7 | Low | 72.8 | Confident | 149 Ų | 149 | 77.6 Ų | 77.6 | 80% | 0.797 | 43% | 0.425 | S | S | * | . | S | Bend | trans | -156.5 | 155.5 | 175.3 | -109.1 | -8.1 | 0 | 0 | 0 | 111.2 | I248 Y252 | I248-N250 VanDerWaalsContact CG2-O 3.24Å; I248-N250 WeakPolarHBondContact CG2-O 3.27Å; N250-Y252 PolarHBondContact O-N 3.5Å |
| 251 | A | 57.3 | Low | 69.9 | Low | 59 Ų | 59 | 81.7 Ų | 81.7 | 49% | 0.488 | 45% | 0.454 | S | S | . | . | S | Bend | trans | -49.6 | 125.5 | -165 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 252 | Y | 62.8 | Low | 67.3 | Low | 163 Ų | 163 | 82.7 Ų | 82.7 | 64% | 0.639 | 46% | 0.463 | S | S | * | . | trans | 77.1 | 111.1 | 172.1 | -47.1 | -78.4 | 0 | 0 | 0 | 117.3 | S168 N250 | S168-Y252 WeakPolarHBondContact O-CA 3.36Å; S168-Y252 WeakPolarHBondContact O-CD1 3.42Å; N250-Y252 PolarHBondContact O-N 3.5Å | ||
| 253 | A | 70 | Confident | 64.4 | Low | 32 Ų | 32 | 82.4 Ų | 82.4 | 26% | 0.264 | 47% | 0.474 | S | S | . | . | trans | -125.9 | 147 | 163.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | W166 N167 S168 I248 | W166-A253 HydrophobicContact CH2-CB 3.98Å; W166-A253 HydrophobicContact CZ3-CB 3.89Å; N167-A253 CarbonylContact C-O 3.59Å; N167-A253 WeakPolarHBondContact CA-O 3.48Å; S168-A253 PolarHBondContact N-O 2.82Å; S168-A253 WeakPolarHBondContact OG-CA 3.36Å; S168-A253 WeakPolarHBondContact OG-CB 3.42Å; S168-A253 PolarHBondContact OG-N 3.46Å; S168-A253 PolarHBondContact OG-O 2.94Å; I248-A253 HydrophobicContact CD1-CB 3.88Å; I248-A253 HydrophobicContact CG1-CB 4.35Å; I248-A253 HydrophobicContact CG2-CB 4.4Å | ||
| 254 | R | 78.7 | Confident | 61.6 | Low | 192 Ų | 192 | 87.8 Ų | 87.8 | 73% | 0.725 | 51% | 0.511 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133 | 143.4 | 176.1 | -170.6 | -179.4 | -176.1 | 172.1 | 0.7 | 109.4 | W166 N167 | W166-R254 WeakPolarHBondContact O-CA 3.2Å; W166-R254 VanDerWaalsContact O-CG 3.3Å; W166-R254 WeakPolarHBondContact O-CG 3.26Å; N167-R254 HydrophobicContact CB-CG 4.42Å |
| 255 | G | 79.7 | Confident | 59 | Low | 21 Ų | 21 | 86.4 Ų | 86.4 | 22% | 0.216 | 52% | 0.52 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 174.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | W166 | W166-G255 VanDerWaalsContact CE2-CA 3.48Å; W166-G255 PolarHBondContact N-O 3.16Å; W166-G255 PolarHBondContact O-N 2.98Å |
| 256 | S | 80 | Confident | 56.4 | Low | 86 Ų | 86 | 94.3 Ų | 94.3 | 60% | 0.601 | 56% | 0.562 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -126.2 | 146.9 | 173.5 | 58.5 | 0 | 0 | 0 | 0 | 109.9 | I164 | I164-S256 CarbonylContact O-C 3.53Å; I164-S256 VanDerWaalsContact O-CA 3.3Å; I164-S256 WeakPolarHBondContact O-CA 3.48Å |
| 257 | G | 67.8 | Low | 54.2 | Low | 12 Ų | 12 | 95.8 Ų | 95.8 | 12% | 0.124 | 57% | 0.574 | C | S | . | * | P | Polyproline II helix | trans | -66.2 | 163.9 | 163.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | I164 S259 | I164-G257 PolarHBondContact O-N 3.26Å; G257-S259 PolarHBondContact O-N 2.93Å |
| 258 | A | 51.7 | Low | 52.1 | Low | 77 Ų | 77 | 95.6 Ų | 95.6 | 64% | 0.636 | 59% | 0.592 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 123.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | E241 T260 | E241-A258 HydrophobicContact CG-CB 4.45Å; A258-T260 PolarHBondContact O-N 2.9Å |
| 259 | S | 44.1 | Very low | 50.6 | Low | 80 Ų | 80 | 101.5 Ų | 101.5 | 56% | 0.559 | 62% | 0.622 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 117.5 | 173.8 | -57.7 | 0 | 0 | 0 | 0 | 108.9 | G257 S261 | G257-S259 PolarHBondContact O-N 2.93Å; S259-S261 PolarHBondContact O-N 3.1Å |
| 260 | T | 41.6 | Very low | 49.4 | Very low | 75 Ų | 75 | 101.6 Ų | 101.6 | 46% | 0.46 | 62% | 0.623 | S | S | . | * | trans | -72.7 | 81.4 | 165.5 | 55.2 | 0 | 0 | 0 | 0 | 108.1 | P160 A258 N262 | P160-T260 HydrophobicContact CG-CG2 4.37Å; A258-T260 PolarHBondContact O-N 2.9Å; T260-N262 PolarHBondContact O-N 2.75Å; T260-N262 VanDerWaalsContact O-N 3.16Å | ||
| 261 | S | 35 | Very low | 48.5 | Very low | 96 Ų | 96 | 100.4 Ų | 100.4 | 67% | 0.671 | 62% | 0.621 | S | S | * | * | trans | -72.6 | 104.7 | 166.9 | 75.1 | 0 | 0 | 0 | 0 | 107.6 | S259 A263 | S259-S261 PolarHBondContact O-N 3.1Å; S261-A263 PolarHBondContact O-N 3.24Å | ||
| 262 | N | 37.5 | Very low | 47.7 | Very low | 148 Ų | 148 | 104.5 Ų | 104.5 | 79% | 0.791 | 63% | 0.633 | S | S | * | * | trans | -71 | 74.8 | 161.8 | -78.7 | -17 | 0 | 0 | 0 | 108.2 | T260 C264 | T260-N262 PolarHBondContact O-N 2.75Å; T260-N262 VanDerWaalsContact O-N 3.16Å; N262-C264 PolarHBondContact O-N 2.83Å | ||
| 263 | A | 31.6 | Very low | 46.4 | Very low | 72 Ų | 72 | 105 Ų | 105 | 60% | 0.595 | 64% | 0.643 | S | S | * | * | trans | -76.3 | 99.7 | 162.9 | 0 | 0 | 0 | 0 | 0 | 106.6 | S261 T265 | S261-A263 PolarHBondContact O-N 3.24Å; A263-T265 VanDerWaalsContact C-N 3.29Å; A263-T265 PolarHBondContact O-N 2.86Å | ||
| 264 | C | 33.2 | Very low | 45 | Very low | 119 Ų | 119 | 110 Ų | 110 | 80% | 0.804 | 67% | 0.665 | S | S | * | * | trans | -58.6 | 95.4 | 164.2 | -71.3 | 0 | 0 | 0 | 0 | 108.3 | N262 L266 | N262-C264 PolarHBondContact O-N 2.83Å; C264-L266 VanDerWaalsContact C-N 3.29Å; C264-L266 PolarHBondContact O-N 3.01Å | ||
| 265 | T | 33.4 | Very low | 43.1 | Very low | 130 Ų | 130 | 105.9 Ų | 105.9 | 80% | 0.798 | 67% | 0.665 | S | S | * | * | trans | -71 | 91.8 | 166.3 | 52.4 | 0 | 0 | 0 | 0 | 107.5 | A263 S267 | A263-T265 VanDerWaalsContact C-N 3.29Å; A263-T265 PolarHBondContact O-N 2.86Å; T265-S267 PolarHBondContact O-N 2.96Å | ||
| 266 | L | 32.6 | Very low | 41 | Very low | 168 Ų | 168 | 112.7 Ų | 112.7 | 88% | 0.88 | 70% | 0.696 | S | S | * | * | trans | -59.6 | 103.9 | 162.5 | -88.8 | 156.1 | 0 | 0 | 0 | 107.4 | C264 A268 | C264-L266 VanDerWaalsContact C-N 3.29Å; C264-L266 PolarHBondContact O-N 3.01Å; L266-A268 PolarHBondContact O-N 3.11Å | ||
| 267 | S | 36.7 | Very low | 39.3 | Very low | 101 Ų | 101 | 115 Ų | 115 | 71% | 0.706 | 71% | 0.707 | S | S | * | * | trans | -62.5 | 114.1 | 169.4 | 57.8 | 0 | 0 | 0 | 0 | 108.5 | T265 I269 | T265-S267 PolarHBondContact O-N 2.96Å; S267-I269 PolarHBondContact O-N 3.17Å; S267-I269 VanDerWaalsContact O-N 3.11Å | ||
| 268 | A | 34.8 | Very low | 38.1 | Very low | 102 Ų | 102 | 118.8 Ų | 118.8 | 84% | 0.843 | 74% | 0.737 | S | S | * | * | trans | -64.8 | 107.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | L266 S270 | L266-A268 PolarHBondContact O-N 3.11Å; A268-S270 PolarHBondContact O-N 3.31Å | ||
| 269 | I | 38.3 | Very low | 37.6 | Very low | 148 Ų | 148 | 127 Ų | 127 | 76% | 0.759 | 75% | 0.751 | S | S | * | * | trans | -75.3 | 110.6 | 167.3 | -64.6 | 174.3 | 0 | 0 | 0 | 106.7 | S267 T271 | S267-I269 PolarHBondContact O-N 3.17Å; S267-I269 VanDerWaalsContact O-N 3.11Å; I269-T271 PolarHBondContact O-N 3.45Å | ||
| 270 | S | 34.8 | Very low | 37.7 | Very low | 103 Ų | 103 | 128.4 Ų | 128.4 | 72% | 0.72 | 76% | 0.761 | S | S | * | * | trans | -73.3 | 109.1 | 172.9 | -171.3 | 0 | 0 | 0 | 0 | 109.2 | A268 I272 | A268-S270 PolarHBondContact O-N 3.31Å; S270-I272 PolarHBondContact O-N 3.34Å | ||
| 271 | T | 37.9 | Very low | 38 | Very low | 125 Ų | 125 | 130.4 Ų | 130.4 | 77% | 0.767 | 78% | 0.778 | S | S | * | * | trans | -83.3 | 103.7 | 167.6 | 33.8 | 0 | 0 | 0 | 0 | 109.2 | I269 M273 | I269-T271 PolarHBondContact O-N 3.45Å; T271-M273 PolarHBondContact O-N 3.34Å | ||
| 272 | I | 39.4 | Very low | 38.5 | Very low | 144 Ų | 144 | 137.8 Ų | 137.8 | 74% | 0.738 | 81% | 0.808 | S | S | * | * | trans | -76.1 | 103.7 | 167.2 | -63.3 | 175 | 0 | 0 | 0 | 107.5 | S270 I274 | S270-I272 PolarHBondContact O-N 3.34Å; I272-I274 HydrophobicContact CG2-CG1 4.06Å; I272-I274 PolarHBondContact O-N 3.23Å | ||
| 273 | M | 36.3 | Very low | 38.6 | Very low | 173 Ų | 173 | 137.3 Ų | 137.3 | 85% | 0.852 | 81% | 0.809 | S | S | * | * | trans | -71 | 107.5 | 164.7 | -86.4 | -86.7 | -80 | 0 | 0 | 108.8 | T271 | T271-M273 PolarHBondContact O-N 3.34Š| ||
| 274 | I | 41 | Very low | 39 | Very low | 138 Ų | 138 | 140.7 Ų | 140.7 | 71% | 0.708 | 82% | 0.82 | S | S | * | * | trans | -87.4 | 105.7 | 165.2 | -61.8 | 177.2 | 0 | 0 | 0 | 107.4 | I272 L276 | I272-I274 HydrophobicContact CG2-CG1 4.06Å; I272-I274 PolarHBondContact O-N 3.23Å; I274-L276 HydrophobicContact CG2-CD1 4.27Å; I274-L276 PolarHBondContact O-N 3.37Å | ||
| 275 | S | 36.9 | Very low | 39.3 | Very low | 105 Ų | 105 | 141.9 Ų | 141.9 | 73% | 0.734 | 82% | 0.821 | S | S | * | * | trans | -71.1 | 107.8 | 167.9 | 31.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 276 | L | 37.3 | Very low | 39.6 | Very low | 165 Ų | 165 | 142.6 Ų | 142.6 | 86% | 0.864 | 82% | 0.823 | S | S | * | * | trans | -87.7 | 103.6 | 162.2 | -88.7 | 109.8 | 0 | 0 | 0 | 109.4 | I274 | I274-L276 HydrophobicContact CG2-CD1 4.27Å; I274-L276 PolarHBondContact O-N 3.37Å | ||
| 277 | T | 44.5 | Very low | 40.1 | Very low | 135 Ų | 135 | 141 Ų | 141 | 83% | 0.828 | 82% | 0.819 | S | S | * | * | trans | -80.8 | 130.7 | 162.3 | 42.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 278 | A | 41.9 | Very low | 40.3 | Very low | 91 Ų | 91 | 143.7 Ų | 143.7 | 75% | 0.752 | 83% | 0.827 | S | S | * | * | trans | -59.6 | 154.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 279 | R | 41.3 | Very low | 40.7 | Very low | 250 Ų | 250 | 146.6 Ų | 146.6 | 94% | 0.943 | 83% | 0.825 | S | S | * | * | trans | -136.8 | 109.1 | 143.2 | -80.7 | -164.5 | 173.8 | -164 | -1.5 | 110.4 | ||||
| 280 | S | 46.1 | Very low | 40.9 | Very low | 109 Ų | 109 | 146.5 Ų | 146.5 | 76% | 0.762 | 83% | 0.831 | S | S | * | * | trans | -76.5 | 135.9 | 159.1 | 48.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 281 | S | 48 | Very low | 41.4 | Very low | 117 Ų | 117 | 150.2 Ų | 150.2 | 82% | 0.818 | 84% | 0.84 | S | S | * | * | trans | -153.5 | 127.4 | 150.8 | -59.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 282 | L | 46.3 | Very low | 41.7 | Very low | 250 Ų | 250 | 152.5 Ų | 152.5 | 100% | 1.309 | 85% | 0.846 | S | S | * | * | trans | -58.4 | 0 | 155.2 | -85 | 139.8 | 0 | 0 | 0 | 110.4 |
Retrieved 282 of 282 residues in 101.1 ms
(Link to these results)