| 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 | 22 | Very low | 26.1 | Very low | 233 Ų | 233 | 105.6 Ų | 105.6 | 100% | 1.148 | 69% | 0.686 | S | S | * | * | 0 | 113.6 | 0 | -69.2 | -180 | -90.5 | 0 | 0 | 104.7 | D3 | M1-D3 PolarHBondContact O-N 2.94Š| |||
| 2 | T | 28.3 | Very low | 26.9 | Very low | 146 Ų | 146 | 106.4 Ų | 106.4 | 90% | 0.896 | 69% | 0.691 | S | S | * | * | trans | -72.3 | 96.3 | -162.9 | 48.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 3 | D | 25.3 | Very low | 27.3 | Very low | 108 Ų | 108 | 109.8 Ų | 109.8 | 58% | 0.578 | 70% | 0.7 | S | S | * | * | trans | -46.9 | 141 | 162.7 | 44.9 | -47.5 | 0 | 0 | 0 | 110.8 | M1 T5 | M1-D3 PolarHBondContact O-N 2.94Å; D3-T5 HydrophobicContact CB-CG2 4.46Å; D3-T5 VanDerWaalsContact CG-OG1 3.25Å; D3-T5 PolarHBondContact O-N 2.68Å; D3-T5 PolarHBondContact O-OG1 2.76Å; D3-T5 WeakPolarHBondContact OD2-CG2 3.48Å; D3-T5 PolarHBondContact OD2-OG1 3.26Å | ||
| 4 | G | 24.2 | Very low | 27.8 | Very low | 69 Ų | 69 | 113.2 Ų | 113.2 | 71% | 0.711 | 70% | 0.699 | S | S | * | * | G | 310 helix | trans | -62.7 | 11.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | G6 | G4-G6 PolarHBondContact O-N 2.75Š|
| 5 | T | 25 | Very low | 28.3 | Very low | 90 Ų | 90 | 110.5 Ų | 110.5 | 55% | 0.552 | 68% | 0.675 | S | S | * | * | G | 310 helix | trans | -60.6 | -27.6 | 172.3 | 47.5 | 0 | 0 | 0 | 0 | 112.1 | D3 A7 L8 | D3-T5 HydrophobicContact CB-CG2 4.46Å; D3-T5 VanDerWaalsContact CG-OG1 3.25Å; D3-T5 PolarHBondContact O-N 2.68Å; D3-T5 PolarHBondContact O-OG1 2.76Å; D3-T5 WeakPolarHBondContact OD2-CG2 3.48Å; D3-T5 PolarHBondContact OD2-OG1 3.26Å; T5-A7 VanDerWaalsContact C-N 3.33Å; T5-A7 PolarHBondContact O-N 3.24Å; T5-L8 PolarHBondContact O-N 3.37Å |
| 6 | G | 22.6 | Very low | 28.5 | Very low | 69 Ų | 69 | 106.1 Ų | 106.1 | 71% | 0.711 | 65% | 0.651 | S | S | * | * | G | 310 helix | trans | -65 | -25.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | G4 L8 | G4-G6 PolarHBondContact O-N 2.75Å; G6-L8 VanDerWaalsContact C-N 3.26Å; G6-L8 PolarHBondContact O-N 2.91Å |
| 7 | A | 26.4 | Very low | 28.9 | Very low | 89 Ų | 89 | 102.2 Ų | 102.2 | 74% | 0.736 | 62% | 0.623 | S | S | * | * | G | 310 helix | trans | -77.8 | -12.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | T5 | T5-A7 VanDerWaalsContact C-N 3.33Å; T5-A7 PolarHBondContact O-N 3.24Å |
| 8 | L | 27.5 | Very low | 29.2 | Very low | 115 Ų | 115 | 97.9 Ų | 97.9 | 60% | 0.602 | 60% | 0.595 | S | S | * | * | G | 310 helix | trans | -109.2 | 8.3 | -178.3 | -68.8 | 171 | 0 | 0 | 0 | 113.2 | T5 G6 R10 | T5-L8 PolarHBondContact O-N 3.37Å; G6-L8 VanDerWaalsContact C-N 3.26Å; G6-L8 PolarHBondContact O-N 2.91Å; L8-R10 PolarHBondContact O-N 2.92Å |
| 9 | G | 22.5 | Very low | 29.4 | Very low | 71 Ų | 71 | 94.4 Ų | 94.4 | 73% | 0.732 | 57% | 0.573 | S | S | * | * | trans | -66.1 | 58.5 | 161.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | A11 | G9-A11 PolarHBondContact O-N 3.24Š| ||
| 10 | R | 32.8 | Very low | 29.7 | Very low | 120 Ų | 120 | 91.2 Ų | 91.2 | 45% | 0.453 | 55% | 0.554 | S | S | . | * | trans | -72.9 | 115.7 | 174.4 | -69.6 | -169.7 | -173.2 | -147.9 | -0.8 | 106.4 | L8 S16 E136 | L8-R10 PolarHBondContact O-N 2.92Å; R10-S16 PolarHBondContact NH1-OG 2.91Å; R10-E136 IonicContact CZ-OE1 3.35Å; R10-E136 IonicContact NH1-OE1 3.05Å; R10-E136 PolarHBondContact NH1-OE1 3.28Å; R10-E136 IonicContact NH2-OE1 2.7Å; R10-E136 PolarHBondContact NH2-OE1 3.08Å | ||
| 11 | A | 30.7 | Very low | 29.9 | Very low | 52 Ų | 52 | 90 Ų | 90 | 43% | 0.43 | 55% | 0.547 | S | S | . | . | trans | -53.4 | 135.5 | 170 | 0 | 0 | 0 | 0 | 0 | 108.6 | G9 D13 K14 | G9-A11 PolarHBondContact O-N 3.24Å; A11-D13 PolarHBondContact O-N 2.79Å; A11-K14 PolarHBondContact O-N 3.32Å; A11-K14 VanDerWaalsContact O-N 3.1Å | ||
| 12 | P | 35.9 | Very low | 30.4 | Very low | 115 Ų | 115 | 85.9 Ų | 85.9 | 75% | 0.747 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -12.1 | -176.7 | 20.8 | -32.5 | 0 | 0 | 0 | 114.2 | ||
| 13 | D | 31.9 | Very low | 30.5 | Very low | 151 Ų | 151 | 81 Ų | 81 | 81% | 0.807 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.8 | 1.3 | -176.6 | -56.6 | -38.1 | 0 | 0 | 0 | 114.5 | A11 E15 | A11-D13 PolarHBondContact O-N 2.79Å; D13-E15 PolarHBondContact O-N 2.93Å |
| 14 | K | 33.9 | Very low | 30.7 | Very low | 157 Ų | 157 | 81.4 Ų | 81.4 | 68% | 0.683 | 49% | 0.487 | S | S | * | . | trans | -96.4 | 92.3 | 176.4 | -66.5 | -153.3 | 178.2 | -163.5 | 0 | 111 | A11 S16 | A11-K14 PolarHBondContact O-N 3.32Å; A11-K14 VanDerWaalsContact O-N 3.1Å; K14-S16 PolarHBondContact O-N 3.21Å | ||
| 15 | E | 36.2 | Very low | 30.9 | Very low | 72 Ų | 72 | 82.5 Ų | 82.5 | 34% | 0.336 | 47% | 0.473 | S | S | . | . | trans | -53.9 | 131.2 | 168.4 | -156.6 | -168.8 | 140 | 0 | 0 | 110.6 | D13 H17 S46 S47 | D13-E15 PolarHBondContact O-N 2.93Å; E15-H17 IonicContact OE1-CE1 3.2Å; E15-H17 PolarHBondContact OE1-CE1 2.98Å; E15-H17 IonicContact OE1-ND1 2.84Å; E15-H17 PolarHBondContact OE1-ND1 3.34Å; E15-H17 IonicContact OE1-NE2 3.57Å; E15-H17 IonicContact OE2-CE1 3.89Å; E15-S46 VanDerWaalsContact OE1-CA 3.24Å; E15-S46 WeakPolarHBondContact OE1-CA 3.45Å; E15-S47 WeakPolarHBondContact CG-OG 3.46Å; E15-S47 VanDerWaalsContact OE1-CB 3.32Å; E15-S47 WeakPolarHBondContact OE1-CB 3.08Å; E15-S47 PolarHBondContact OE1-N 2.84Å; E15-S47 PolarHBondContact OE1-OG 3.45Å; E15-S47 WeakPolarHBondContact OE2-CB 3.08Å; E15-S47 PolarHBondContact OE2-N 3.16Å; E15-S47 PolarHBondContact OE2-OG 2.93Å | ||
| 16 | S | 30.5 | Very low | 31 | Very low | 41 Ų | 41 | 83.7 Ų | 83.7 | 29% | 0.287 | 49% | 0.485 | S | S | . | . | trans | -109.5 | 125.7 | 179 | -62.4 | 0 | 0 | 0 | 0 | 109.2 | R10 K14 | R10-S16 PolarHBondContact NH1-OG 2.91Å; K14-S16 PolarHBondContact O-N 3.21Å | ||
| 17 | H | 35.6 | Very low | 31.3 | Very low | 40 Ų | 40 | 85 Ų | 85 | 19% | 0.185 | 48% | 0.483 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 137.1 | -177.3 | -53.1 | -91.1 | 0 | 0 | 0 | 110.4 | E15 F45 K137 V139 | E15-H17 IonicContact OE1-CE1 3.2Å; E15-H17 PolarHBondContact OE1-CE1 2.98Å; E15-H17 IonicContact OE1-ND1 2.84Å; E15-H17 PolarHBondContact OE1-ND1 3.34Å; E15-H17 IonicContact OE1-NE2 3.57Å; E15-H17 IonicContact OE2-CE1 3.89Å; H17-F45 PolarHBondContact CE1-O 2.92Å; H17-F45 PolarHBondContact ND1-O 3.48Å; H17-K137 PolarHBondContact O-N 3.37Å; H17-V139 VanDerWaalsContact CD2-CG2 3.4Å; H17-V139 WeakPolarHBondContact CD2-CG2 3.3Å |
| 18 | F | 33.7 | Very low | 31.3 | Very low | 25 Ų | 25 | 89.7 Ų | 89.7 | 11% | 0.11 | 49% | 0.49 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 133.8 | 179.9 | -63.8 | -82.5 | 0 | 0 | 0 | 110.1 | L98 E136 | F18-L98 HydrophobicContact CE2-CD1 4.31Å; F18-L98 HydrophobicContact CZ-CD1 4.23Å; F18-E136 HydrophobicContact CD1-CB 4.28Å; F18-E136 HydrophobicContact CE1-CB 4.04Å; F18-E136 HydrophobicContact CE1-CG 4.01Å |
| 19 | V | 33.7 | Very low | 31.3 | Very low | 30 Ų | 30 | 90.4 Ų | 90.4 | 18% | 0.182 | 49% | 0.494 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 116.5 | 169.9 | -179.8 | 0 | 0 | 0 | 0 | 107.6 | V44 C134 K135 | V19-V44 HydrophobicContact CG2-CG2 4.46Å; V19-C134 WeakPolarHBondContact O-CA 3.24Å; V19-K135 PolarHBondContact N-O 2.97Å; V19-K135 VanDerWaalsContact N-O 3.15Å; V19-K135 PolarHBondContact O-N 3.32Å |
| 20 | V | 35.7 | Very low | 32 | Very low | 31 Ų | 31 | 95.2 Ų | 95.2 | 19% | 0.188 | 50% | 0.503 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 122.2 | 177.6 | -175.3 | 0 | 0 | 0 | 0 | 108.4 | W132 C134 | V20-W132 HydrophobicContact CG1-CB 4.05Å; V20-W132 HydrophobicContact CG1-CD2 4.34Å; V20-W132 HydrophobicContact CG1-CE3 3.72Å; V20-W132 HydrophobicContact CG1-CZ3 4.5Å; V20-C134 HydrophobicContact CG2-CB 4.37Å |
| 21 | T | 34 | Very low | 31.5 | Very low | 67 Ų | 67 | 93.4 Ų | 93.4 | 41% | 0.411 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 129.9 | 179.4 | -48.9 | 0 | 0 | 0 | 0 | 109.3 | W132 L133 | T21-W132 CarbonylContact O-C 3.55Å; T21-W132 WeakPolarHBondContact O-CA 3.36Å; T21-L133 PolarHBondContact N-O 3.29Å; T21-L133 PolarHBondContact O-N 2.64Å |
| 22 | R | 32.1 | Very low | 31.3 | Very low | 146 Ų | 146 | 97 Ų | 97 | 55% | 0.551 | 53% | 0.526 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 128.9 | 172.9 | -165.8 | 177.3 | 176.2 | -157.4 | -4.9 | 109.2 | E24 W132 | R22-E24 IonicContact CZ-OE1 3.56Å; R22-E24 IonicContact NH1-OE1 3.91Å; R22-E24 PolarHBondContact NH1-OE1 3.17Å; R22-E24 IonicContact NH2-OE1 3.72Å; R22-W132 HydrophobicContact CB-CD2 4.33Å; R22-W132 HydrophobicContact CB-CE3 3.7Å; R22-W132 HydrophobicContact CB-CH2 3.77Å; R22-W132 HydrophobicContact CB-CZ2 4.33Å; R22-W132 HydrophobicContact CB-CZ3 3.42Å; R22-W132 VanDerWaalsContact CB-CZ3 3.42Å; R22-W132 HydrophobicContact CG-CD2 4.34Å; R22-W132 HydrophobicContact CG-CE3 4.17Å; R22-W132 HydrophobicContact CG-CH2 3.81Å; R22-W132 HydrophobicContact CG-CZ2 3.92Å; R22-W132 HydrophobicContact CG-CZ3 3.95Å |
| 23 | V | 29.7 | Very low | 30.7 | Very low | 43 Ų | 43 | 99 Ų | 99 | 26% | 0.261 | 53% | 0.529 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 106.1 | 161.5 | -171.7 | 0 | 0 | 0 | 0 | 106.5 | Q25 R131 L133 | V23-Q25 PolarHBondContact O-N 3.12Å; V23-R131 WeakPolarHBondContact CA-O 3.37Å; V23-R131 HydrophobicContact CB-CB 4.29Å; V23-R131 WeakPolarHBondContact CB-O 3.31Å; V23-R131 WeakPolarHBondContact CG2-O 3.28Å; V23-R131 PolarHBondContact N-O 3.18Å; V23-L133 HydrophobicContact CG2-CB 4.24Å; V23-L133 HydrophobicContact CG2-CD1 3.28Å; V23-L133 HydrophobicContact CG2-CG 3.49Å; V23-L133 VanDerWaalsContact CG2-CG 3.49Å |
| 24 | E | 30.2 | Very low | 30.5 | Very low | 117 Ų | 117 | 99 Ų | 99 | 55% | 0.547 | 53% | 0.529 | S | S | . | . | trans | -63.5 | 118.9 | 163.2 | -66.4 | -168.8 | 154.7 | 0 | 0 | 107.3 | R22 S26 | R22-E24 IonicContact CZ-OE1 3.56Å; R22-E24 IonicContact NH1-OE1 3.91Å; R22-E24 PolarHBondContact NH1-OE1 3.17Å; R22-E24 IonicContact NH2-OE1 3.72Å; E24-S26 PolarHBondContact O-N 3.17Å | ||
| 25 | Q | 28.5 | Very low | 30 | Very low | 91 Ų | 91 | 99.5 Ų | 99.5 | 43% | 0.425 | 54% | 0.539 | S | S | . | . | trans | -71 | 108.2 | 158 | -74.8 | -168.9 | -82.9 | 0 | 0 | 104.9 | V23 S27 | V23-Q25 PolarHBondContact O-N 3.12Å; Q25-S27 PolarHBondContact O-N 3.38Å | ||
| 26 | S | 26.1 | Very low | 29.4 | Very low | 115 Ų | 115 | 99.4 Ų | 99.4 | 80% | 0.804 | 56% | 0.558 | S | S | * | * | trans | -53.3 | 110.2 | 160.4 | 43.2 | 0 | 0 | 0 | 0 | 106.5 | E24 Q28 | E24-S26 PolarHBondContact O-N 3.17Å; S26-Q28 PolarHBondContact O-N 3.42Å | ||
| 27 | S | 29 | Very low | 29 | Very low | 96 Ų | 96 | 106.1 Ų | 106.1 | 67% | 0.671 | 59% | 0.585 | S | S | * | * | trans | -57.4 | 132.4 | 167.1 | 45.6 | 0 | 0 | 0 | 0 | 106.7 | Q25 D29 | Q25-S27 PolarHBondContact O-N 3.38Å; S27-D29 PolarHBondContact O-N 2.93Å | ||
| 28 | Q | 27.4 | Very low | 28.3 | Very low | 189 Ų | 189 | 109 Ų | 109 | 88% | 0.883 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -67 | 75.8 | 174.2 | -171.8 | 178.2 | -1.9 | 0 | 0 | 108.8 | S26 | S26-Q28 PolarHBondContact O-N 3.42Š|
| 29 | D | 28.2 | Very low | 27.8 | Very low | 129 Ų | 129 | 112.4 Ų | 112.4 | 69% | 0.69 | 64% | 0.642 | S | S | * | * | trans | -124.3 | 98.1 | 166.7 | -113.7 | -27.5 | 0 | 0 | 0 | 106.6 | S27 S31 | S27-D29 PolarHBondContact O-N 2.93Å; D29-S31 PolarHBondContact O-N 3.2Å | ||
| 30 | D | 35.4 | Very low | 27.2 | Very low | 172 Ų | 172 | 116.3 Ų | 116.3 | 92% | 0.92 | 67% | 0.666 | S | S | * | * | trans | -75.7 | 32.6 | -174.5 | -110.8 | -20 | 0 | 0 | 0 | 112.6 | ||||
| 31 | S | 24.2 | Very low | 26.7 | Very low | 83 Ų | 83 | 119 Ų | 119 | 58% | 0.58 | 68% | 0.684 | S | S | * | * | trans | -142.5 | 114.6 | -175.6 | 56.9 | 0 | 0 | 0 | 0 | 112.9 | D29 | D29-S31 PolarHBondContact O-N 3.2Š| ||
| 32 | V | 26 | Very low | 26.1 | Very low | 127 Ų | 127 | 119.8 Ų | 119.8 | 77% | 0.77 | 69% | 0.692 | S | S | * | * | S | Bend | trans | 99.5 | 92.5 | 153.7 | -165.1 | 0 | 0 | 0 | 0 | 116.7 | ||
| 33 | L | 23.4 | Very low | 25.8 | Very low | 156 Ų | 156 | 113.2 Ų | 113.2 | 82% | 0.817 | 67% | 0.668 | S | S | * | * | trans | 70.1 | 101.2 | 132.9 | -59.2 | 169.1 | 0 | 0 | 0 | 119.3 | D35 | L33-D35 PolarHBondContact O-N 3.22Š| ||
| 34 | D | 27.6 | Very low | 25.5 | Very low | 152 Ų | 152 | 116 Ų | 116 | 81% | 0.813 | 69% | 0.686 | S | S | * | * | -0 | 96.8 | 126 | -160.6 | 29.2 | 0 | 0 | 0 | 116 | |||||
| 35 | D | 22.2 | Very low | 25.6 | Very low | 167 Ų | 167 | 112 Ų | 112 | 89% | 0.893 | 67% | 0.666 | S | S | * | * | trans | -142.5 | 94.4 | 137.3 | -89.7 | -37.6 | 0 | 0 | 0 | 106.5 | L33 E37 | L33-D35 PolarHBondContact O-N 3.22Å; D35-E37 PolarHBondContact O-N 2.85Å | ||
| 36 | G | 24.7 | Very low | 25.3 | Very low | 70 Ų | 70 | 112 Ų | 112 | 72% | 0.722 | 68% | 0.677 | S | S | * | * | trans | -68.2 | 123.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 37 | E | 20.9 | Very low | 25.4 | Very low | 183 Ų | 183 | 109.2 Ų | 109.2 | 86% | 0.855 | 66% | 0.657 | S | S | * | * | trans | -144.9 | 99.1 | 151.5 | -103.1 | -171.7 | 165.6 | 0 | 0 | 110.3 | D35 | D35-E37 PolarHBondContact O-N 2.85Š| ||
| 38 | S | 21.8 | Very low | 25.2 | Very low | 100 Ų | 100 | 107.8 Ų | 107.8 | 70% | 0.699 | 66% | 0.657 | S | S | * | * | trans | 36.8 | 99.2 | 143.5 | 60.8 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 39 | A | 22.7 | Very low | 25.1 | Very low | 96 Ų | 96 | 110 Ų | 110 | 79% | 0.793 | 66% | 0.658 | S | S | * | * | trans | -99.3 | 69.6 | 151.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 40 | T | 21.2 | Very low | 25.2 | Very low | 113 Ų | 113 | 108.3 Ų | 108.3 | 69% | 0.693 | 66% | 0.662 | S | S | * | * | trans | -99.6 | 128.1 | 144.2 | 33.6 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 41 | P | 24.6 | Very low | 24.8 | Very low | 87 Ų | 87 | 107 Ų | 107 | 57% | 0.565 | 66% | 0.655 | S | S | * | * | -138.3 | 136.4 | 77 | 10 | 16.2 | 0 | 0 | 0 | 114.9 | S92 | P41-S92 VanDerWaalsContact CB-OG 3.24Å; P41-S92 WeakPolarHBondContact CB-OG 3.24Å; P41-S92 VanDerWaalsContact CG-OG 3.28Å; P41-S92 WeakPolarHBondContact CG-OG 3.02Å | |||
| 42 | S | 22.7 | Very low | 25.1 | Very low | 83 Ų | 83 | 113.5 Ų | 113.5 | 58% | 0.58 | 67% | 0.673 | S | S | * | * | trans | -76.2 | 134.5 | 166.3 | 58.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 43 | S | 25.4 | Very low | 25.1 | Very low | 8 Ų | 8 | 111.4 Ų | 111.4 | 6% | 0.056 | 68% | 0.677 | C | S | . | * | trans | -106 | 134.3 | -170.8 | -59.6 | 0 | 0 | 0 | 0 | 112.3 | F45 S92 A93 | S43-F45 VanDerWaalsContact CB-CZ 3.42Å; S43-S92 PolarHBondContact OG-O 2.81Å; S43-S92 PolarHBondContact OG-OG 3.27Å; S43-A93 VanDerWaalsContact CB-CA 3.49Å; S43-A93 VanDerWaalsContact CB-CB 3.49Å; S43-A93 VanDerWaalsContact OG-CA 3.29Å; S43-A93 WeakPolarHBondContact OG-CA 3.19Å; S43-A93 WeakPolarHBondContact OG-CB 3.26Å | ||
| 44 | V | 24.2 | Very low | 25.1 | Very low | 103 Ų | 103 | 108.2 Ų | 108.2 | 62% | 0.624 | 67% | 0.673 | S | S | * | * | trans | -122.3 | 131.5 | 178.1 | -179.1 | 0 | 0 | 0 | 0 | 108 | V19 | V19-V44 HydrophobicContact CG2-CG2 4.46Š| ||
| 45 | F | 31 | Very low | 25 | Very low | 31 Ų | 31 | 105.7 Ų | 105.7 | 14% | 0.136 | 67% | 0.673 | C | S | . | * | trans | -125 | 158.7 | -176.1 | -52.7 | -79.2 | 0 | 0 | 0 | 111.3 | H17 S43 A93 V94 T95 | H17-F45 PolarHBondContact CE1-O 2.92Å; H17-F45 PolarHBondContact ND1-O 3.48Å; S43-F45 VanDerWaalsContact CB-CZ 3.42Å; F45-A93 HydrophobicContact CD1-CB 4.29Å; F45-A93 VanDerWaalsContact CE1-CA 3.48Å; F45-A93 HydrophobicContact CE1-CB 3.18Å; F45-A93 WeakPolarHBondContact CE1-O 3.24Å; F45-A93 HydrophobicContact CZ-CB 3.35Å; F45-V94 VanDerWaalsContact CE1-C 3.43Å; F45-V94 WeakPolarHBondContact CE2-O 3.15Å; F45-V94 WeakPolarHBondContact CZ-O 3.36Å; F45-T95 HydrophobicContact CB-CG2 3.58Å; F45-T95 WeakPolarHBondContact CB-OG1 3.14Å; F45-T95 HydrophobicContact CD1-CG2 4.35Å; F45-T95 WeakPolarHBondContact CD1-OG1 3.46Å; F45-T95 HydrophobicContact CD2-CG2 4.45Å; F45-T95 WeakPolarHBondContact CE1-OG1 3.5Å; F45-T95 HydrophobicContact CG-CG2 3.87Å; F45-T95 WeakPolarHBondContact CG-OG1 3.47Å | ||
| 46 | S | 23 | Very low | 25.1 | Very low | 93 Ų | 93 | 100.2 Ų | 100.2 | 65% | 0.65 | 65% | 0.647 | S | S | * | * | trans | -136.8 | 144.3 | 166.1 | 52.4 | 0 | 0 | 0 | 0 | 110.4 | E15 G48 | E15-S46 VanDerWaalsContact OE1-CA 3.24Å; E15-S46 WeakPolarHBondContact OE1-CA 3.45Å; S46-G48 PolarHBondContact O-N 2.82Å | ||
| 47 | S | 27.3 | Very low | 25.1 | Very low | 55 Ų | 55 | 101.3 Ų | 101.3 | 39% | 0.385 | 64% | 0.643 | S | S | . | * | P | Polyproline II helix | trans | -72.6 | 119.3 | 179.8 | 79 | 0 | 0 | 0 | 0 | 108.1 | E15 | E15-S47 WeakPolarHBondContact CG-OG 3.46Å; E15-S47 VanDerWaalsContact OE1-CB 3.32Å; E15-S47 WeakPolarHBondContact OE1-CB 3.08Å; E15-S47 PolarHBondContact OE1-N 2.84Å; E15-S47 PolarHBondContact OE1-OG 3.45Å; E15-S47 WeakPolarHBondContact OE2-CB 3.08Å; E15-S47 PolarHBondContact OE2-N 3.16Å; E15-S47 PolarHBondContact OE2-OG 2.93Å |
| 48 | G | 24.3 | Very low | 25.3 | Very low | 66 Ų | 66 | 97 Ų | 97 | 68% | 0.68 | 63% | 0.633 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 133.1 | 169 | 0 | 0 | 0 | 0 | 0 | 108.8 | S46 A50 | S46-G48 PolarHBondContact O-N 2.82Å; G48-A50 PolarHBondContact O-N 3.17Å |
| 49 | R | 25.5 | Very low | 25.5 | Very low | 235 Ų | 235 | 96.3 Ų | 96.3 | 89% | 0.887 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 129.5 | 173.3 | -157.3 | -178.2 | -170.9 | -160 | 3.7 | 108.5 | D51 | R49-D51 PolarHBondContact O-N 2.84Š|
| 50 | A | 30.6 | Very low | 25.6 | Very low | 94 Ų | 94 | 96.9 Ų | 96.9 | 78% | 0.777 | 62% | 0.618 | S | S | * | * | trans | -59 | 97.8 | 179 | 0 | 0 | 0 | 0 | 0 | 110.4 | G48 K52 | G48-A50 PolarHBondContact O-N 3.17Å; A50-K52 PolarHBondContact O-N 3.16Å | ||
| 51 | D | 27.7 | Very low | 25.9 | Very low | 145 Ų | 145 | 93.8 Ų | 93.8 | 78% | 0.775 | 60% | 0.595 | S | S | * | * | trans | -66.9 | 116.7 | 163.4 | -78.1 | -25 | 0 | 0 | 0 | 106.7 | R49 G53 | R49-D51 PolarHBondContact O-N 2.84Å; D51-G53 PolarHBondContact O-N 2.82Å | ||
| 52 | K | 30.9 | Very low | 25.9 | Very low | 219 Ų | 219 | 93.1 Ų | 93.1 | 95% | 0.952 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.4 | 100 | -175.8 | -73.1 | -174.6 | 174.4 | -175.6 | 0 | 110.4 | A50 | A50-K52 PolarHBondContact O-N 3.16Š|
| 53 | G | 25.9 | Very low | 26.1 | Very low | 83 Ų | 83 | 94.3 Ų | 94.3 | 86% | 0.856 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 136.2 | -6.1 | 156.8 | 0 | 0 | 0 | 0 | 0 | 118.6 | D51 | D51-G53 PolarHBondContact O-N 2.82Š|
| 54 | A | 23.5 | Very low | 26.1 | Very low | 89 Ų | 89 | 96 Ų | 96 | 74% | 0.736 | 60% | 0.601 | S | S | * | * | trans | -116.8 | 108.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | P56 | A54-P56 WeakPolarHBondContact O-CD 3.41Š| ||
| 55 | A | 24.9 | Very low | 26.1 | Very low | 99 Ų | 99 | 99 Ų | 99 | 82% | 0.818 | 61% | 0.613 | S | S | * | * | P | Polyproline II helix | trans | -79 | 123.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110 | ||
| 56 | P | 25.1 | Very low | 25.7 | Very low | 53 Ų | 53 | 101.6 Ų | 101.6 | 34% | 0.344 | 64% | 0.635 | S | S | . | * | P | Polyproline II helix | trans | -68.8 | 142.4 | 178.7 | -19.2 | 32.6 | 0 | 0 | 0 | 112.6 | A54 P82 | A54-P56 WeakPolarHBondContact O-CD 3.41Å; P56-P82 HydrophobicContact CB-CB 3.67Å; P56-P82 HydrophobicContact CG-CB 3.61Å |
| 57 | S | 24.3 | Very low | 25.7 | Very low | 92 Ų | 92 | 102.2 Ų | 102.2 | 64% | 0.643 | 64% | 0.637 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 141 | 177.2 | 44 | 0 | 0 | 0 | 0 | 112.2 | ||
| 58 | S | 24.5 | Very low | 25.5 | Very low | 92 Ų | 92 | 104.5 Ų | 104.5 | 64% | 0.643 | 65% | 0.649 | S | S | * | * | B | Isolated β-bridge | trans | -96.7 | 146.6 | -152.6 | 53.9 | 0 | 0 | 0 | 0 | 116.3 | ||
| 59 | V | 26 | Very low | 25.4 | Very low | 86 Ų | 86 | 108.7 Ų | 108.7 | 52% | 0.521 | 65% | 0.649 | S | S | . | * | trans | -131.5 | 141.7 | 156 | -179.4 | 0 | 0 | 0 | 0 | 108.2 | L83 | V59-L83 HydrophobicContact CB-CD1 3.72Å; V59-L83 HydrophobicContact CB-CD2 4.19Å; V59-L83 HydrophobicContact CB-CG 4.47Å; V59-L83 WeakPolarHBondContact O-CD1 3.33Å | ||
| 60 | V | 25.2 | Very low | 25.1 | Very low | 109 Ų | 109 | 108.7 Ų | 108.7 | 66% | 0.661 | 65% | 0.648 | S | S | * | * | trans | -106.3 | 136.4 | -168.8 | 179.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 61 | F | 28.1 | Very low | 24.9 | Very low | 48 Ų | 48 | 109.1 Ų | 109.1 | 21% | 0.211 | 65% | 0.646 | C | S | . | * | trans | -104.7 | 132.3 | 170.7 | -64.5 | -85.9 | 0 | 0 | 0 | 110.5 | L81 L83 V94 I96 V120 L122 | F61-L81 HydrophobicContact CD2-CD1 4.35Å; F61-L83 HydrophobicContact CE2-CD1 4.29Å; F61-V94 HydrophobicContact CE2-CG1 4.47Å; F61-V94 HydrophobicContact CZ-CG1 3.74Å; F61-I96 HydrophobicContact CE2-CG1 4.26Å; F61-V120 HydrophobicContact CD1-CG1 4.16Å; F61-L122 HydrophobicContact CD1-CD2 3.33Å; F61-L122 HydrophobicContact CE1-CD2 3.4Å; F61-L122 VanDerWaalsContact CE1-CD2 3.4Å | ||
| 62 | K | 24.9 | Very low | 24.6 | Very low | 73 Ų | 73 | 106.5 Ų | 106.5 | 32% | 0.317 | 64% | 0.639 | S | S | . | * | B | Isolated β-bridge | trans | -92 | 128.5 | 177.4 | -172.9 | -180 | -175.3 | 176.7 | 0 | 109.8 | D124 | K62-D124 IonicContact NZ-OD1 2.9Å; K62-D124 PolarHBondContact NZ-OD1 3.32Å |
| 63 | I | 26.6 | Very low | 24.4 | Very low | 108 Ų | 108 | 100.9 Ų | 100.9 | 55% | 0.554 | 63% | 0.633 | S | S | * | * | trans | -117.9 | 108.4 | 173.3 | -58.5 | 174.5 | 0 | 0 | 0 | 107.3 | ||||
| 64 | G | 24.5 | Very low | 24.4 | Very low | 44 Ų | 44 | 102.6 Ų | 102.6 | 45% | 0.454 | 63% | 0.627 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 70.2 | -177.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | S66 | G64-S66 PolarHBondContact O-N 2.89Å; G64-S66 VanDerWaalsContact O-N 3.13Å |
| 65 | D | 24.7 | Very low | 24.3 | Very low | 164 Ų | 164 | 102.1 Ų | 102.1 | 88% | 0.877 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.3 | 17.1 | -171.5 | -61.9 | -33 | 0 | 0 | 0 | 114.1 | ||
| 66 | S | 22.3 | Very low | 24.2 | Very low | 86 Ų | 86 | 103.3 Ų | 103.3 | 60% | 0.601 | 62% | 0.615 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 125.2 | -178.4 | -157.1 | 0 | 0 | 0 | 0 | 111.1 | G64 V68 | G64-S66 PolarHBondContact O-N 2.89Å; G64-S66 VanDerWaalsContact O-N 3.13Å; S66-V68 PolarHBondContact O-N 2.84Å |
| 67 | P | 22.3 | Very low | 24.2 | Very low | 107 Ų | 107 | 105.3 Ų | 105.3 | 70% | 0.695 | 63% | 0.626 | S | S | * | * | P | Polyproline II helix | trans | -67 | 128.7 | -176.1 | 24.4 | -31.4 | 0 | 0 | 0 | 111.9 | F69 | P67-F69 PolarHBondContact O-N 2.6Š|
| 68 | V | 24.5 | Very low | 24.1 | Very low | 103 Ų | 103 | 103 Ų | 103 | 62% | 0.624 | 62% | 0.617 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 119.3 | 177.9 | 176.4 | 0 | 0 | 0 | 0 | 109.9 | S66 R70 | S66-V68 PolarHBondContact O-N 2.84Å; V68-R70 PolarHBondContact O-N 3.01Å |
| 69 | F | 21.3 | Very low | 24.2 | Very low | 154 Ų | 154 | 103 Ų | 103 | 68% | 0.675 | 61% | 0.609 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 121 | 166.4 | -71.2 | -84.5 | 0 | 0 | 0 | 108.9 | P67 S71 | P67-F69 PolarHBondContact O-N 2.6Å; F69-S71 PolarHBondContact O-N 2.96Å |
| 70 | R | 20.7 | Very low | 24 | Very low | 234 Ų | 234 | 103.1 Ų | 103.1 | 88% | 0.883 | 61% | 0.614 | S | S | * | * | trans | -61.2 | 100.6 | 169.2 | -76.8 | -177 | 172 | 170.9 | -1.7 | 107.5 | V68 S72 | V68-R70 PolarHBondContact O-N 3.01Å; R70-S72 VanDerWaalsContact C-N 3.31Å; R70-S72 PolarHBondContact O-N 3.32Å | ||
| 71 | S | 24.5 | Very low | 24.2 | Very low | 103 Ų | 103 | 99.8 Ų | 99.8 | 72% | 0.72 | 59% | 0.592 | S | S | * | * | trans | -69.2 | 91 | 177.2 | 71.2 | 0 | 0 | 0 | 0 | 110.3 | F69 A73 | F69-S71 PolarHBondContact O-N 2.96Å; S71-A73 PolarHBondContact O-N 3.38Å | ||
| 72 | S | 22.1 | Very low | 24.1 | Very low | 91 Ų | 91 | 99.4 Ų | 99.4 | 64% | 0.636 | 60% | 0.595 | S | S | * | * | S | Bend | trans | -79.6 | 92.6 | 148.4 | 52.5 | 0 | 0 | 0 | 0 | 107.2 | R70 T74 | R70-S72 VanDerWaalsContact C-N 3.31Å; R70-S72 PolarHBondContact O-N 3.32Å; S72-T74 VanDerWaalsContact C-N 3.27Å; S72-T74 PolarHBondContact O-N 3.11Å; S72-T74 PolarHBondContact O-OG1 3.35Å |
| 73 | A | 26.4 | Very low | 24.1 | Very low | 100 Ų | 100 | 97.4 Ų | 97.4 | 83% | 0.826 | 59% | 0.587 | S | S | * | * | S | Bend | trans | 51.2 | -8.7 | 162.6 | 0 | 0 | 0 | 0 | 0 | 122.1 | S71 | S71-A73 PolarHBondContact O-N 3.38Š|
| 74 | T | 25.6 | Very low | 24.1 | Very low | 119 Ų | 119 | 99 Ų | 99 | 73% | 0.73 | 59% | 0.592 | S | S | * | * | trans | -151.2 | 17.1 | -169.3 | 27.9 | 0 | 0 | 0 | 0 | 118.2 | S72 S76 | S72-T74 VanDerWaalsContact C-N 3.27Å; S72-T74 PolarHBondContact O-N 3.11Å; S72-T74 PolarHBondContact O-OG1 3.35Å; T74-S76 PolarHBondContact O-N 3.4Å | ||
| 75 | D | 22.3 | Very low | 24.2 | Very low | 79 Ų | 79 | 103 Ų | 103 | 42% | 0.422 | 61% | 0.608 | S | S | . | * | trans | -86.4 | 119.1 | -176.9 | -64.5 | -9.1 | 0 | 0 | 0 | 112.2 | T77 | D75-T77 PolarHBondContact O-N 2.71Š| ||
| 76 | S | 22.9 | Very low | 24.3 | Very low | 124 Ų | 124 | 99.4 Ų | 99.4 | 87% | 0.867 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.6 | 27.6 | -160.9 | 50.4 | 0 | 0 | 0 | 0 | 116.6 | T74 | T74-S76 PolarHBondContact O-N 3.4Š|
| 77 | T | 24.6 | Very low | 24.4 | Very low | 95 Ų | 95 | 104.2 Ų | 104.2 | 58% | 0.583 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.9 | 0 | 178.8 | 55.6 | 0 | 0 | 0 | 0 | 114.4 | D75 L79 | D75-T77 PolarHBondContact O-N 2.71Å; T77-L79 PolarHBondContact O-N 3.37Å |
| 78 | G | 23.2 | Very low | 24.6 | Very low | 44 Ų | 44 | 103 Ų | 103 | 45% | 0.454 | 59% | 0.594 | S | S | . | * | trans | 65.1 | 1.5 | 148.8 | 0 | 0 | 0 | 0 | 0 | 119.4 | S80 | G78-S80 PolarHBondContact O-N 3.13Š| ||
| 79 | L | 25.1 | Very low | 24.6 | Very low | 91 Ų | 91 | 108 Ų | 108 | 48% | 0.476 | 61% | 0.611 | S | S | . | * | trans | -96.5 | 76.9 | 176.3 | -64.6 | 177 | 0 | 0 | 0 | 110.7 | T77 S102 | T77-L79 PolarHBondContact O-N 3.37Å; L79-S102 WeakPolarHBondContact CD2-OG 3.21Å | ||
| 80 | S | 23.4 | Very low | 24.8 | Very low | 89 Ų | 89 | 107.1 Ų | 107.1 | 62% | 0.622 | 62% | 0.618 | S | S | * | * | trans | -92.2 | 118.3 | 163.8 | 53.7 | 0 | 0 | 0 | 0 | 109.1 | G78 P82 I99 | G78-S80 PolarHBondContact O-N 3.13Å; S80-P82 WeakPolarHBondContact O-CD 3.33Å; S80-I99 WeakPolarHBondContact O-CD1 3.44Å | ||
| 81 | L | 29.4 | Very low | 24.9 | Very low | 40 Ų | 40 | 98.5 Ų | 98.5 | 21% | 0.209 | 59% | 0.594 | C | S | . | * | trans | -97.5 | 114.3 | 179.5 | -61.6 | 172 | 0 | 0 | 0 | 109.2 | F61 I96 S97 | F61-L81 HydrophobicContact CD2-CD1 4.35Å; L81-I96 HydrophobicContact CD1-CG2 4.18Å; L81-I96 HydrophobicContact CD2-CG2 4.38Å; L81-S97 WeakPolarHBondContact CD2-O 3.29Å | ||
| 82 | P | 25.4 | Very low | 25 | Very low | 40 Ų | 40 | 96.4 Ų | 96.4 | 26% | 0.26 | 58% | 0.579 | S | S | . | * | B | Isolated β-bridge | trans | -78.7 | 133 | 179.5 | 25.6 | -28.9 | 0 | 0 | 0 | 112.4 | P56 S80 I99 | P56-P82 HydrophobicContact CB-CB 3.67Å; P56-P82 HydrophobicContact CG-CB 3.61Å; S80-P82 WeakPolarHBondContact O-CD 3.33Å; P82-I99 HydrophobicContact CG-CD1 4.38Å |
| 83 | L | 25.8 | Very low | 25.1 | Very low | 30 Ų | 30 | 93.6 Ų | 93.6 | 16% | 0.157 | 56% | 0.561 | C | S | . | * | trans | -112 | 145.4 | 172.4 | -84 | 98.1 | 0 | 0 | 0 | 112.2 | V59 F61 V94 | V59-L83 HydrophobicContact CB-CD1 3.72Å; V59-L83 HydrophobicContact CB-CD2 4.19Å; V59-L83 HydrophobicContact CB-CG 4.47Å; V59-L83 WeakPolarHBondContact O-CD1 3.33Å; F61-L83 HydrophobicContact CE2-CD1 4.29Å; L83-V94 HydrophobicContact CD2-CG1 3.79Å | ||
| 84 | H | 26 | Very low | 25.1 | Very low | 143 Ų | 143 | 92.4 Ų | 92.4 | 66% | 0.662 | 54% | 0.543 | S | S | * | . | trans | -103 | 126.6 | 172.5 | -87.7 | -90.8 | 0 | 0 | 0 | 110.3 | ||||
| 85 | T | 26.1 | Very low | 25.2 | Very low | 128 Ų | 128 | 89.2 Ų | 89.2 | 79% | 0.785 | 52% | 0.524 | S | S | * | . | trans | -98.2 | 3.9 | 177.5 | 50.7 | 0 | 0 | 0 | 0 | 114.1 | Y87 | T85-Y87 PolarHBondContact O-N 3.41Š| ||
| 86 | S | 26 | Very low | 25.5 | Very low | 88 Ų | 88 | 87.2 Ų | 87.2 | 62% | 0.615 | 51% | 0.513 | S | S | * | . | trans | -96.7 | 63.4 | -178.2 | 66.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 87 | Y | 25.7 | Very low | 25.7 | Very low | 186 Ų | 186 | 83.2 Ų | 83.2 | 73% | 0.729 | 49% | 0.485 | S | S | * | . | S | Bend | trans | -139.5 | 149.6 | 165 | -93 | -84.6 | 0 | 0 | 0 | 111.1 | T85 | T85-Y87 PolarHBondContact O-N 3.41Š|
| 88 | P | 25 | Very low | 26 | Very low | 83 Ų | 83 | 83.9 Ų | 83.9 | 54% | 0.539 | 48% | 0.484 | S | S | . | . | trans | -59.9 | 145.8 | -176.2 | -16.9 | 29.4 | 0 | 0 | 0 | 110.9 | T90 S91 | P88-T90 PolarHBondContact O-N 3.39Å; P88-S91 WeakPolarHBondContact O-CB 3.18Å; P88-S91 PolarHBondContact O-N 2.95Å | ||
| 89 | E | 25.4 | Very low | 26.1 | Very low | 208 Ų | 208 | 84.7 Ų | 84.7 | 97% | 0.972 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -11.8 | 178.5 | -66.2 | -179.7 | 161.7 | 0 | 0 | 114.2 | S91 | E89-S91 VanDerWaalsContact C-N 3.27Å; E89-S91 PolarHBondContact O-N 3.37Å |
| 90 | T | 26.4 | Very low | 26.1 | Very low | 134 Ų | 134 | 84.8 Ų | 84.8 | 82% | 0.822 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | 2.9 | 171.7 | 62.6 | 0 | 0 | 0 | 0 | 113.9 | P88 | P88-T90 PolarHBondContact O-N 3.39Š|
| 91 | S | 23 | Very low | 26.3 | Very low | 54 Ų | 54 | 87.3 Ų | 87.3 | 38% | 0.378 | 49% | 0.492 | S | S | . | . | trans | -92.1 | 107.3 | 179 | -172.8 | 0 | 0 | 0 | 0 | 110.3 | P88 E89 A93 | P88-S91 WeakPolarHBondContact O-CB 3.18Å; P88-S91 PolarHBondContact O-N 2.95Å; E89-S91 VanDerWaalsContact C-N 3.27Å; E89-S91 PolarHBondContact O-N 3.37Å; S91-A93 PolarHBondContact O-N 3.41Å; S91-A93 WeakPolarHBondContact OG-CB 3.39Å | ||
| 92 | S | 24.9 | Very low | 26.2 | Very low | 59 Ų | 59 | 86.9 Ų | 86.9 | 41% | 0.413 | 49% | 0.492 | S | S | . | . | trans | -71.3 | 21.2 | -178.6 | 52.7 | 0 | 0 | 0 | 0 | 115.2 | P41 S43 | P41-S92 VanDerWaalsContact CB-OG 3.24Å; P41-S92 WeakPolarHBondContact CB-OG 3.24Å; P41-S92 VanDerWaalsContact CG-OG 3.28Å; P41-S92 WeakPolarHBondContact CG-OG 3.02Å; S43-S92 PolarHBondContact OG-O 2.81Å; S43-S92 PolarHBondContact OG-OG 3.27Å | ||
| 93 | A | 24.3 | Very low | 26.1 | Very low | 31 Ų | 31 | 93.7 Ų | 93.7 | 26% | 0.256 | 52% | 0.521 | S | S | . | . | trans | -128.3 | 109.9 | -146 | 0 | 0 | 0 | 0 | 0 | 111.3 | S43 F45 S91 | S43-A93 VanDerWaalsContact CB-CA 3.49Å; S43-A93 VanDerWaalsContact CB-CB 3.49Å; S43-A93 VanDerWaalsContact OG-CA 3.29Å; S43-A93 WeakPolarHBondContact OG-CA 3.19Å; S43-A93 WeakPolarHBondContact OG-CB 3.26Å; F45-A93 HydrophobicContact CD1-CB 4.29Å; F45-A93 VanDerWaalsContact CE1-CA 3.48Å; F45-A93 HydrophobicContact CE1-CB 3.18Å; F45-A93 WeakPolarHBondContact CE1-O 3.24Å; F45-A93 HydrophobicContact CZ-CB 3.35Å; S91-A93 PolarHBondContact O-N 3.41Å; S91-A93 WeakPolarHBondContact OG-CB 3.39Å | ||
| 94 | V | 27.3 | Very low | 26.2 | Very low | 76 Ų | 76 | 97.2 Ų | 97.2 | 46% | 0.461 | 55% | 0.546 | S | S | . | . | trans | -109.4 | 123 | 165.7 | -170.3 | 0 | 0 | 0 | 0 | 113.3 | F45 F61 L83 | F45-V94 VanDerWaalsContact CE1-C 3.43Å; F45-V94 WeakPolarHBondContact CE2-O 3.15Å; F45-V94 WeakPolarHBondContact CZ-O 3.36Å; F61-V94 HydrophobicContact CE2-CG1 4.47Å; F61-V94 HydrophobicContact CZ-CG1 3.74Å; L83-V94 HydrophobicContact CD2-CG1 3.79Å | ||
| 95 | T | 27.3 | Very low | 26.2 | Very low | 51 Ų | 51 | 94.7 Ų | 94.7 | 31% | 0.313 | 54% | 0.544 | S | S | . | . | trans | -82.7 | 142 | 177.4 | -42.7 | 0 | 0 | 0 | 0 | 112.4 | F45 | F45-T95 HydrophobicContact CB-CG2 3.58Å; F45-T95 WeakPolarHBondContact CB-OG1 3.14Å; F45-T95 HydrophobicContact CD1-CG2 4.35Å; F45-T95 WeakPolarHBondContact CD1-OG1 3.46Å; F45-T95 HydrophobicContact CD2-CG2 4.45Å; F45-T95 WeakPolarHBondContact CE1-OG1 3.5Å; F45-T95 HydrophobicContact CG-CG2 3.87Å; F45-T95 WeakPolarHBondContact CG-OG1 3.47Å | ||
| 96 | I | 29.7 | Very low | 26.1 | Very low | 37 Ų | 37 | 94.1 Ų | 94.1 | 19% | 0.19 | 55% | 0.545 | C | S | . | . | trans | -120.2 | 117.8 | 166.1 | -58.2 | 172.3 | 0 | 0 | 0 | 108.2 | F61 L81 | F61-I96 HydrophobicContact CE2-CG1 4.26Å; L81-I96 HydrophobicContact CD1-CG2 4.18Å; L81-I96 HydrophobicContact CD2-CG2 4.38Å | ||
| 97 | S | 26.5 | Very low | 25.9 | Very low | 40 Ų | 40 | 93.8 Ų | 93.8 | 28% | 0.28 | 55% | 0.548 | S | S | . | . | trans | -109.9 | 104.4 | 176.3 | -65.2 | 0 | 0 | 0 | 0 | 110.6 | L81 I99 | L81-S97 WeakPolarHBondContact CD2-O 3.29Å; S97-I99 PolarHBondContact O-N 2.87Å | ||
| 98 | L | 29.5 | Very low | 26 | Very low | 109 Ų | 109 | 90.2 Ų | 90.2 | 57% | 0.571 | 54% | 0.538 | S | S | * | . | trans | -72.4 | 106.3 | 172.6 | -67.1 | 166.3 | 0 | 0 | 0 | 109.2 | F18 S100 | F18-L98 HydrophobicContact CE2-CD1 4.31Å; F18-L98 HydrophobicContact CZ-CD1 4.23Å; L98-S100 PolarHBondContact O-N 2.94Å | ||
| 99 | I | 27 | Very low | 26 | Very low | 61 Ų | 61 | 92.2 Ų | 92.2 | 31% | 0.313 | 54% | 0.541 | S | S | . | . | trans | -79.1 | 116.8 | 174.8 | -51.9 | 179.6 | 0 | 0 | 0 | 107.7 | S80 P82 S97 N101 | S80-I99 WeakPolarHBondContact O-CD1 3.44Å; P82-I99 HydrophobicContact CG-CD1 4.38Å; S97-I99 PolarHBondContact O-N 2.87Å; I99-N101 HydrophobicContact CG2-CB 4.08Å; I99-N101 PolarHBondContact O-N 3.36Å | ||
| 100 | S | 25.1 | Very low | 26.1 | Very low | 94 Ų | 94 | 87.2 Ų | 87.2 | 66% | 0.657 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | 14.4 | -176.2 | 59.1 | 0 | 0 | 0 | 0 | 115 | L98 S102 | L98-S100 PolarHBondContact O-N 2.94Å; S100-S102 VanDerWaalsContact C-N 3.26Å; S100-S102 PolarHBondContact O-N 2.94Å |
| 101 | N | 26.4 | Very low | 26 | Very low | 142 Ų | 142 | 86.6 Ų | 86.6 | 76% | 0.759 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | 4 | -172.8 | -68.1 | -6.6 | 0 | 0 | 0 | 113.7 | I99 | I99-N101 HydrophobicContact CG2-CB 4.08Å; I99-N101 PolarHBondContact O-N 3.36Å |
| 102 | S | 27.8 | Very low | 26.1 | Very low | 30 Ų | 30 | 88 Ų | 88 | 21% | 0.21 | 52% | 0.518 | C | S | . | . | S | Bend | trans | -122.8 | 121.1 | 171.3 | 60.1 | 0 | 0 | 0 | 0 | 109.9 | L79 S100 | L79-S102 WeakPolarHBondContact CD2-OG 3.21Å; S100-S102 VanDerWaalsContact C-N 3.26Å; S100-S102 PolarHBondContact O-N 2.94Å |
| 103 | E | 23.6 | Very low | 26.2 | Very low | 183 Ų | 183 | 93.1 Ų | 93.1 | 86% | 0.855 | 54% | 0.535 | S | S | * | . | trans | -44.7 | 128.8 | 168.2 | -160.7 | 176.5 | -161.9 | 0 | 0 | 109.1 | S105 | E103-S105 PolarHBondContact O-N 3.27Š| ||
| 104 | P | 27.8 | Very low | 26.1 | Very low | 105 Ų | 105 | 95.1 Ų | 95.1 | 68% | 0.682 | 55% | 0.547 | S | S | * | . | trans | -64.9 | 101.8 | -172.2 | 25.1 | -32.7 | 0 | 0 | 0 | 109.1 | S106 | P104-S106 PolarHBondContact O-N 3.26Š| ||
| 105 | S | 25.5 | Very low | 26.1 | Very low | 89 Ų | 89 | 95.6 Ų | 95.6 | 62% | 0.622 | 55% | 0.553 | S | S | * | * | trans | -53.9 | 128.9 | 166.6 | 177.4 | 0 | 0 | 0 | 0 | 107.6 | E103 A107 H108 | E103-S105 PolarHBondContact O-N 3.27Å; S105-A107 PolarHBondContact O-N 3.49Å; S105-H108 PolarHBondContact O-N 3.05Å; S105-H108 VanDerWaalsContact O-N 3.13Å | ||
| 106 | S | 23.5 | Very low | 26.2 | Very low | 117 Ų | 117 | 99.9 Ų | 99.9 | 82% | 0.818 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.9 | -1.1 | -171.4 | -44.3 | 0 | 0 | 0 | 0 | 115.4 | P104 | P104-S106 PolarHBondContact O-N 3.26Š|
| 107 | A | 23.4 | Very low | 26.1 | Very low | 81 Ų | 81 | 102.8 Ų | 102.8 | 67% | 0.669 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.5 | -8.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | S105 | S105-A107 PolarHBondContact O-N 3.49Š|
| 108 | H | 27.4 | Very low | 26.6 | Very low | 111 Ų | 111 | 102.9 Ų | 102.9 | 51% | 0.514 | 57% | 0.571 | S | S | . | * | trans | -119.8 | 40.5 | 178.6 | -81.2 | -52.9 | 0 | 0 | 0 | 113.5 | S105 I110 | S105-H108 PolarHBondContact O-N 3.05Å; S105-H108 VanDerWaalsContact O-N 3.13Å; H108-I110 PolarHBondContact O-N 3.46Å | ||
| 109 | M | 23.5 | Very low | 26.6 | Very low | 124 Ų | 124 | 103.1 Ų | 103.1 | 61% | 0.611 | 57% | 0.572 | S | S | * | * | trans | -70.3 | 110.1 | 156.9 | -78.9 | -178.8 | 57.6 | 0 | 0 | 108.1 | H111 | M109-H111 PolarHBondContact O-N 3.37Å; M109-H111 PolarHBondContact O-ND1 3.17Å | ||
| 110 | I | 29.1 | Very low | 27.2 | Very low | 103 Ų | 103 | 101.1 Ų | 101.1 | 53% | 0.528 | 56% | 0.563 | S | S | . | * | trans | -56.9 | 103.2 | 154.3 | -64 | 144 | 0 | 0 | 0 | 105.2 | H108 S112 H118 | H108-I110 PolarHBondContact O-N 3.46Å; I110-S112 PolarHBondContact O-N 3.5Å; I110-H118 WeakPolarHBondContact CD1-CE1 3.21Å; I110-H118 VanDerWaalsContact CG1-CE1 3.42Å; I110-H118 WeakPolarHBondContact CG1-CE1 3.36Å; I110-H118 WeakPolarHBondContact CG1-ND1 3.08Å; I110-H118 WeakPolarHBondContact CG2-CE1 3.43Å; I110-H118 WeakPolarHBondContact CG2-ND1 3.5Å | ||
| 111 | H | 23.6 | Very low | 27.4 | Very low | 121 Ų | 121 | 99.4 Ų | 99.4 | 56% | 0.56 | 55% | 0.548 | S | S | * | . | trans | -73.6 | 86.3 | 169.7 | -72.1 | 87.4 | 0 | 0 | 0 | 107.3 | M109 H113 | M109-H111 PolarHBondContact O-N 3.37Å; M109-H111 PolarHBondContact O-ND1 3.17Å; H111-H113 AromaticContact CD2-NE2 3.66Å; H111-H113 PolarHBondContact O-N 2.79Å | ||
| 112 | S | 25.5 | Very low | 27.9 | Very low | 84 Ų | 84 | 97 Ų | 97 | 59% | 0.587 | 54% | 0.535 | S | S | * | . | trans | -64.8 | 75.3 | 170 | 164.4 | 0 | 0 | 0 | 0 | 109 | I110 | I110-S112 PolarHBondContact O-N 3.5Š| ||
| 113 | H | 26.3 | Very low | 27.9 | Very low | 166 Ų | 166 | 100 Ų | 100 | 77% | 0.769 | 55% | 0.548 | S | S | * | . | trans | -98.7 | -10.7 | 169.8 | -63.1 | -50.5 | 0 | 0 | 0 | 112.6 | H111 | H111-H113 AromaticContact CD2-NE2 3.66Å; H111-H113 PolarHBondContact O-N 2.79Å | ||
| 114 | S | 22.5 | Very low | 28.2 | Very low | 74 Ų | 74 | 97.6 Ų | 97.6 | 52% | 0.517 | 54% | 0.542 | S | S | . | . | S | Bend | trans | -119.9 | 121.6 | 160.7 | 101.9 | 0 | 0 | 0 | 0 | 108.7 | R116 | S114-R116 PolarHBondContact O-N 3.25Š|
| 115 | S | 26.8 | Very low | 28.1 | Very low | 85 Ų | 85 | 96.2 Ų | 96.2 | 59% | 0.594 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.1 | 109.2 | 179.6 | -175.5 | 0 | 0 | 0 | 0 | 109.9 | ||
| 116 | R | 29.6 | Very low | 28.5 | Very low | 141 Ų | 141 | 94.9 Ų | 94.9 | 53% | 0.532 | 52% | 0.518 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.3 | 24.6 | 159.4 | -56.6 | 179 | -68.6 | -163 | -6.5 | 119.3 | S114 K135 | S114-R116 PolarHBondContact O-N 3.25Å; R116-K135 HydrophobicContact CB-CD 4.5Å; R116-K135 HydrophobicContact CB-CG 4.11Å; R116-K135 VanDerWaalsContact O-CA 3.24Å; R116-K135 WeakPolarHBondContact O-CA 3.1Å; R116-K135 WeakPolarHBondContact O-CB 2.81Å |
| 117 | F | 28.8 | Very low | 28.7 | Very low | 99 Ų | 99 | 97.8 Ų | 97.8 | 43% | 0.434 | 52% | 0.516 | S | S | . | . | trans | -139.6 | 123.6 | 173.7 | -60.5 | -68.5 | 0 | 0 | 0 | 114.5 | L133 C134 K135 | F117-L133 HydrophobicContact CB-CD2 3.49Å; F117-L133 VanDerWaalsContact CB-CD2 3.49Å; F117-L133 HydrophobicContact CD1-CB 3.73Å; F117-L133 HydrophobicContact CD1-CD1 4.36Å; F117-L133 HydrophobicContact CD1-CD2 3.63Å; F117-L133 HydrophobicContact CD1-CG 4.09Å; F117-L133 HydrophobicContact CD2-CD2 4.39Å; F117-L133 HydrophobicContact CE1-CB 4.28Å; F117-L133 HydrophobicContact CE1-CD1 4.45Å; F117-L133 HydrophobicContact CE1-CD2 4.44Å; F117-L133 HydrophobicContact CG-CD2 3.57Å; F117-C134 CarbonylContact C-O 3.5Å; F117-C134 WeakPolarHBondContact CA-O 3.17Å; F117-K135 HydrophobicContact CD1-CB 4.48Å; F117-K135 HydrophobicContact CE1-CB 4.32Å | ||
| 118 | H | 35.1 | Very low | 29 | Very low | 41 Ų | 41 | 103.4 Ų | 103.4 | 19% | 0.19 | 52% | 0.52 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 138.2 | 165.5 | -42 | -107.3 | 0 | 0 | 0 | 109.9 | I110 C134 | I110-H118 WeakPolarHBondContact CD1-CE1 3.21Å; I110-H118 VanDerWaalsContact CG1-CE1 3.42Å; I110-H118 WeakPolarHBondContact CG1-CE1 3.36Å; I110-H118 WeakPolarHBondContact CG1-ND1 3.08Å; I110-H118 WeakPolarHBondContact CG2-CE1 3.43Å; I110-H118 WeakPolarHBondContact CG2-ND1 3.5Å; H118-C134 HydrophobicContact CB-CB 3.87Å; H118-C134 PolarHBondContact CD2-O 2.86Å; H118-C134 VanDerWaalsContact CD2-O 3.26Å; H118-C134 PolarHBondContact N-O 2.92Å; H118-C134 PolarHBondContact O-N 3.27Å |
| 119 | I | 31.2 | Very low | 29.1 | Very low | 115 Ų | 115 | 105.3 Ų | 105.3 | 59% | 0.59 | 52% | 0.523 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90 | 118.3 | 170.9 | -58.7 | 175.8 | 0 | 0 | 0 | 108.6 | W132 | I119-W132 WeakPolarHBondContact CA-O 3.48Å |
| 120 | V | 38.5 | Very low | 29.4 | Very low | 19 Ų | 19 | 100.3 Ų | 100.3 | 12% | 0.115 | 50% | 0.503 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 138.9 | 172.7 | -173.5 | 0 | 0 | 0 | 0 | 109.2 | F61 L122 W132 | F61-V120 HydrophobicContact CD1-CG1 4.16Å; V120-L122 HydrophobicContact CG1-CD2 4Å; V120-W132 HydrophobicContact CB-CB 4.16Å; V120-W132 PolarHBondContact N-O 3.4Å; V120-W132 VanDerWaalsContact O-CD1 3.26Å |
| 121 | T | 30 | Very low | 29.7 | Very low | 58 Ų | 58 | 101.2 Ų | 101.2 | 36% | 0.356 | 50% | 0.499 | S | S | . | . | B | Isolated β-bridge | trans | -116.3 | 126.5 | 176.6 | -20.5 | 0 | 0 | 0 | 0 | 108.9 | ||
| 122 | L | 36.8 | Very low | 30.3 | Very low | 90 Ų | 90 | 98.5 Ų | 98.5 | 47% | 0.471 | 48% | 0.484 | S | S | . | . | trans | -101 | -11.3 | -170.8 | -62.7 | -177.3 | 0 | 0 | 0 | 115.6 | F61 V120 W132 | F61-L122 HydrophobicContact CD1-CD2 3.33Å; F61-L122 HydrophobicContact CE1-CD2 3.4Å; F61-L122 VanDerWaalsContact CE1-CD2 3.4Å; V120-L122 HydrophobicContact CG1-CD2 4Å; L122-W132 HydrophobicContact CD1-CZ2 3.87Å | ||
| 123 | D | 26.9 | Very low | 30.8 | Very low | 93 Ų | 93 | 97.2 Ų | 97.2 | 50% | 0.497 | 47% | 0.471 | S | S | . | . | trans | -125.3 | 142.8 | -176.8 | -94.7 | -28.1 | 0 | 0 | 0 | 111.7 | N125 | D123-N125 HydrophobicContact CB-CB 4.44Å; D123-N125 PolarHBondContact O-N 3.31Å | ||
| 124 | D | 30.1 | Very low | 31.3 | Very low | 134 Ų | 134 | 89.7 Ų | 89.7 | 72% | 0.717 | 44% | 0.436 | S | S | * | . | S | Bend | trans | -64.2 | -11.4 | 167.2 | -79.7 | -35.4 | 0 | 0 | 0 | 112.4 | K62 P126 | K62-D124 IonicContact NZ-OD1 2.9Å; K62-D124 PolarHBondContact NZ-OD1 3.32Å; D124-P126 VanDerWaalsContact O-CD 3.3Å; D124-P126 WeakPolarHBondContact O-CD 3.29Å |
| 125 | N | 27.1 | Very low | 31.9 | Very low | 76 Ų | 76 | 90.3 Ų | 90.3 | 41% | 0.406 | 43% | 0.43 | S | S | . | . | trans | -89.5 | 107.9 | 173.4 | -168.8 | -26.3 | 0 | 0 | 0 | 110.7 | D123 F127 R128 | D123-N125 HydrophobicContact CB-CB 4.44Å; D123-N125 PolarHBondContact O-N 3.31Å; N125-F127 PolarHBondContact O-N 2.83Å; N125-F127 WeakPolarHBondContact OD1-CB 3.39Å; N125-F127 WeakPolarHBondContact OD1-CD2 3.33Å; N125-F127 PolarHBondContact OD1-N 2.86Å; N125-R128 PolarHBondContact O-N 3.26Å | ||
| 126 | P | 32.1 | Very low | 32.2 | Very low | 61 Ų | 61 | 89.3 Ų | 89.3 | 40% | 0.396 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | 2.7 | -179.5 | 31.5 | -37 | 0 | 0 | 0 | 113.3 | D124 R129 | D124-P126 VanDerWaalsContact O-CD 3.3Å; D124-P126 WeakPolarHBondContact O-CD 3.29Å; P126-R129 WeakPolarHBondContact O-CD 3.24Å; P126-R129 WeakPolarHBondContact O-CG 3.12Å; P126-R129 PolarHBondContact O-NE 3.24Å |
| 127 | F | 28.5 | Very low | 32.3 | Very low | 178 Ų | 178 | 88.3 Ų | 88.3 | 78% | 0.781 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.8 | -13.4 | 178.7 | -60.1 | -76.7 | 0 | 0 | 0 | 113.9 | N125 R129 | N125-F127 PolarHBondContact O-N 2.83Å; N125-F127 WeakPolarHBondContact OD1-CB 3.39Å; N125-F127 WeakPolarHBondContact OD1-CD2 3.33Å; N125-F127 PolarHBondContact OD1-N 2.86Å; F127-R129 PolarHBondContact O-N 3.06Å |
| 128 | R | 29.4 | Very low | 32.2 | Very low | 199 Ų | 199 | 90.9 Ų | 90.9 | 75% | 0.751 | 43% | 0.429 | S | S | * | . | S | Bend | trans | -93.8 | 35.4 | 170.9 | -68.5 | -170.2 | 175.8 | -123.5 | -0.2 | 111.8 | N125 G130 | N125-R128 PolarHBondContact O-N 3.26Å; R128-G130 PolarHBondContact O-N 2.75Å |
| 129 | R | 31 | Very low | 31.9 | Very low | 151 Ų | 151 | 92.1 Ų | 92.1 | 57% | 0.57 | 44% | 0.439 | S | S | * | . | trans | -56.6 | 94.8 | -175.9 | -77.6 | 167.9 | -176.6 | 179.3 | 7.5 | 112 | P126 F127 | P126-R129 WeakPolarHBondContact O-CD 3.24Å; P126-R129 WeakPolarHBondContact O-CG 3.12Å; P126-R129 PolarHBondContact O-NE 3.24Å; F127-R129 PolarHBondContact O-N 3.06Å | ||
| 130 | G | 29.6 | Very low | 31.8 | Very low | 19 Ų | 19 | 91.5 Ų | 91.5 | 20% | 0.196 | 44% | 0.441 | C | S | . | . | P | Polyproline II helix | trans | -80.9 | 119.3 | 151.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | R128 W132 | R128-G130 PolarHBondContact O-N 2.75Å; G130-W132 VanDerWaalsContact O-CD1 3.28Å |
| 131 | R | 34.8 | Very low | 31.1 | Very low | 121 Ų | 121 | 97.3 Ų | 97.3 | 46% | 0.457 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 116.8 | 165.4 | -69.4 | -172.5 | -72.6 | -169.6 | -0.6 | 106.5 | V23 | V23-R131 WeakPolarHBondContact CA-O 3.37Å; V23-R131 HydrophobicContact CB-CB 4.29Å; V23-R131 WeakPolarHBondContact CB-O 3.31Å; V23-R131 WeakPolarHBondContact CG2-O 3.28Å; V23-R131 PolarHBondContact N-O 3.18Å |
| 132 | W | 35.7 | Very low | 31 | Very low | 64 Ų | 64 | 101.7 Ų | 101.7 | 24% | 0.242 | 49% | 0.492 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 125.4 | 177.6 | -65.6 | 84.8 | 0 | 0 | 0 | 109.3 | V20 T21 R22 I119 V120 L122 G130 | V20-W132 HydrophobicContact CG1-CB 4.05Å; V20-W132 HydrophobicContact CG1-CD2 4.34Å; V20-W132 HydrophobicContact CG1-CE3 3.72Å; V20-W132 HydrophobicContact CG1-CZ3 4.5Å; T21-W132 CarbonylContact O-C 3.55Å; T21-W132 WeakPolarHBondContact O-CA 3.36Å; R22-W132 HydrophobicContact CB-CD2 4.33Å; R22-W132 HydrophobicContact CB-CE3 3.7Å; R22-W132 HydrophobicContact CB-CH2 3.77Å; R22-W132 HydrophobicContact CB-CZ2 4.33Å; R22-W132 HydrophobicContact CB-CZ3 3.42Å; R22-W132 VanDerWaalsContact CB-CZ3 3.42Å; R22-W132 HydrophobicContact CG-CD2 4.34Å; R22-W132 HydrophobicContact CG-CE3 4.17Å; R22-W132 HydrophobicContact CG-CH2 3.81Å; R22-W132 HydrophobicContact CG-CZ2 3.92Å; R22-W132 HydrophobicContact CG-CZ3 3.95Å; I119-W132 WeakPolarHBondContact CA-O 3.48Å; V120-W132 HydrophobicContact CB-CB 4.16Å; V120-W132 PolarHBondContact N-O 3.4Å; V120-W132 VanDerWaalsContact O-CD1 3.26Å; L122-W132 HydrophobicContact CD1-CZ2 3.87Å; G130-W132 VanDerWaalsContact O-CD1 3.28Å |
| 133 | L | 36.3 | Very low | 30.7 | Very low | 58 Ų | 58 | 103 Ų | 103 | 30% | 0.304 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 115.2 | 174.5 | -76 | 167.5 | 0 | 0 | 0 | 108.9 | T21 V23 F117 | T21-L133 PolarHBondContact N-O 3.29Å; T21-L133 PolarHBondContact O-N 2.64Å; V23-L133 HydrophobicContact CG2-CB 4.24Å; V23-L133 HydrophobicContact CG2-CD1 3.28Å; V23-L133 HydrophobicContact CG2-CG 3.49Å; V23-L133 VanDerWaalsContact CG2-CG 3.49Å; F117-L133 HydrophobicContact CB-CD2 3.49Å; F117-L133 VanDerWaalsContact CB-CD2 3.49Å; F117-L133 HydrophobicContact CD1-CB 3.73Å; F117-L133 HydrophobicContact CD1-CD1 4.36Å; F117-L133 HydrophobicContact CD1-CD2 3.63Å; F117-L133 HydrophobicContact CD1-CG 4.09Å; F117-L133 HydrophobicContact CD2-CD2 4.39Å; F117-L133 HydrophobicContact CE1-CB 4.28Å; F117-L133 HydrophobicContact CE1-CD1 4.45Å; F117-L133 HydrophobicContact CE1-CD2 4.44Å; F117-L133 HydrophobicContact CG-CD2 3.57Å |
| 134 | C | 36.1 | Very low | 30.5 | Very low | 7 Ų | 7 | 107.5 Ų | 107.5 | 5% | 0.047 | 52% | 0.521 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 118.9 | 173.4 | 179.6 | 0 | 0 | 0 | 0 | 110.4 | V19 V20 F117 H118 | V19-C134 WeakPolarHBondContact O-CA 3.24Å; V20-C134 HydrophobicContact CG2-CB 4.37Å; F117-C134 CarbonylContact C-O 3.5Å; F117-C134 WeakPolarHBondContact CA-O 3.17Å; H118-C134 HydrophobicContact CB-CB 3.87Å; H118-C134 PolarHBondContact CD2-O 2.86Å; H118-C134 VanDerWaalsContact CD2-O 3.26Å; H118-C134 PolarHBondContact N-O 2.92Å; H118-C134 PolarHBondContact O-N 3.27Å |
| 135 | K | 35.4 | Very low | 30.5 | Very low | 88 Ų | 88 | 106.7 Ų | 106.7 | 38% | 0.383 | 52% | 0.524 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 117.8 | 173.6 | 174.8 | 166.6 | -176.8 | -168.3 | 0 | 110 | V19 R116 F117 K137 | V19-K135 PolarHBondContact N-O 2.97Å; V19-K135 VanDerWaalsContact N-O 3.15Å; V19-K135 PolarHBondContact O-N 3.32Å; R116-K135 HydrophobicContact CB-CD 4.5Å; R116-K135 HydrophobicContact CB-CG 4.11Å; R116-K135 VanDerWaalsContact O-CA 3.24Å; R116-K135 WeakPolarHBondContact O-CA 3.1Å; R116-K135 WeakPolarHBondContact O-CB 2.81Å; F117-K135 HydrophobicContact CD1-CB 4.48Å; F117-K135 HydrophobicContact CE1-CB 4.32Å; K135-K137 PolarHBondContact O-N 3.22Å |
| 136 | E | 32.5 | Very low | 30.5 | Very low | 64 Ų | 64 | 106.4 Ų | 106.4 | 30% | 0.299 | 53% | 0.527 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 121.3 | 167.8 | -174.4 | 175.2 | -156.4 | 0 | 0 | 108.9 | R10 F18 | R10-E136 IonicContact CZ-OE1 3.35Å; R10-E136 IonicContact NH1-OE1 3.05Å; R10-E136 PolarHBondContact NH1-OE1 3.28Å; R10-E136 IonicContact NH2-OE1 2.7Å; R10-E136 PolarHBondContact NH2-OE1 3.08Å; F18-E136 HydrophobicContact CD1-CB 4.28Å; F18-E136 HydrophobicContact CE1-CB 4.04Å; F18-E136 HydrophobicContact CE1-CG 4.01Å |
| 137 | K | 32.4 | Very low | 30.4 | Very low | 120 Ų | 120 | 110.1 Ų | 110.1 | 52% | 0.522 | 55% | 0.549 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 108 | 168.9 | -169.1 | -177.4 | 177.6 | -173.9 | 0 | 107.1 | H17 K135 V139 | H17-K137 PolarHBondContact O-N 3.37Å; K135-K137 PolarHBondContact O-N 3.22Å; K137-V139 PolarHBondContact O-N 3.49Å |
| 138 | Q | 27.1 | Very low | 30.3 | Very low | 152 Ų | 152 | 108.3 Ų | 108.3 | 71% | 0.71 | 55% | 0.548 | S | S | * | . | trans | -60.5 | 112.6 | 161.9 | -83.6 | -177.3 | -10.7 | 0 | 0 | 107.6 | T140 | Q138-T140 VanDerWaalsContact C-N 3.28Å; Q138-T140 PolarHBondContact O-N 2.98Å; Q138-T140 VanDerWaalsContact O-N 3.14Å | ||
| 139 | V | 29.2 | Very low | 30.3 | Very low | 67 Ų | 67 | 105.1 Ų | 105.1 | 41% | 0.406 | 55% | 0.545 | S | S | . | . | trans | -79.1 | 87.6 | 164.2 | 179.1 | 0 | 0 | 0 | 0 | 105.9 | H17 K137 | H17-V139 VanDerWaalsContact CD2-CG2 3.4Å; H17-V139 WeakPolarHBondContact CD2-CG2 3.3Å; K137-V139 PolarHBondContact O-N 3.49Å | ||
| 140 | T | 28.9 | Very low | 29.8 | Very low | 102 Ų | 102 | 102.9 Ų | 102.9 | 63% | 0.626 | 55% | 0.552 | S | S | * | * | trans | -84.9 | -16.3 | -178.3 | -24.2 | 0 | 0 | 0 | 0 | 113 | Q138 | Q138-T140 VanDerWaalsContact C-N 3.28Å; Q138-T140 PolarHBondContact O-N 2.98Å; Q138-T140 VanDerWaalsContact O-N 3.14Å | ||
| 141 | D | 23.7 | Very low | 29.5 | Very low | 142 Ų | 142 | 106.7 Ų | 106.7 | 76% | 0.759 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -145.3 | 138.2 | 173.8 | -74 | -57.5 | 0 | 0 | 0 | 110.3 | ||
| 142 | D | 27.9 | Very low | 28.9 | Very low | 149 Ų | 149 | 108.2 Ų | 108.2 | 80% | 0.797 | 58% | 0.584 | S | S | * | * | trans | -45.4 | 134.5 | 166 | -70.1 | -52.6 | 0 | 0 | 0 | 108.8 | K144 | D142-K144 PolarHBondContact O-N 3.37Š| ||
| 143 | P | 29.3 | Very low | 28.4 | Very low | 117 Ų | 117 | 108.7 Ų | 108.7 | 76% | 0.76 | 59% | 0.594 | S | S | * | * | trans | -61.4 | 101.1 | -179.5 | 25 | -32.2 | 0 | 0 | 0 | 108.4 | P145 | P143-P145 VanDerWaalsContact O-CD 3.3Å; P143-P145 WeakPolarHBondContact O-CD 3.15Å; P143-P145 VanDerWaalsContact O-N 3.11Å | ||
| 144 | K | 24.3 | Very low | 27.9 | Very low | 188 Ų | 188 | 111.1 Ų | 111.1 | 82% | 0.817 | 62% | 0.622 | S | S | * | * | trans | -58 | 118.9 | 168.6 | -166.9 | 170.4 | -171.9 | 169.8 | 0 | 105.5 | D142 S146 | D142-K144 PolarHBondContact O-N 3.37Å; K144-S146 VanDerWaalsContact C-N 3.28Å; K144-S146 PolarHBondContact O-N 2.88Å | ||
| 145 | P | 28.4 | Very low | 27.5 | Very low | 118 Ų | 118 | 121.5 Ų | 121.5 | 77% | 0.766 | 66% | 0.661 | S | S | * | * | trans | -65.1 | 95.4 | 178.9 | 25.3 | -31.4 | 0 | 0 | 0 | 107.1 | P143 T147 | P143-P145 VanDerWaalsContact O-CD 3.3Å; P143-P145 WeakPolarHBondContact O-CD 3.15Å; P143-P145 VanDerWaalsContact O-N 3.11Å; P145-T147 PolarHBondContact O-N 3.37Å | ||
| 146 | S | 29 | Very low | 27 | Very low | 69 Ų | 69 | 128.2 Ų | 128.2 | 48% | 0.483 | 68% | 0.684 | S | S | . | * | trans | -75.3 | 112.6 | 174.2 | 58.5 | 0 | 0 | 0 | 0 | 107 | K144 D148 | K144-S146 VanDerWaalsContact C-N 3.28Å; K144-S146 PolarHBondContact O-N 2.88Å; S146-D148 PolarHBondContact O-N 3.5Å | ||
| 147 | T | 28.9 | Very low | 26.4 | Very low | 139 Ų | 139 | 132.4 Ų | 132.4 | 85% | 0.853 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.4 | -10.5 | 177.9 | -22.6 | 0 | 0 | 0 | 0 | 113.3 | P145 | P145-T147 PolarHBondContact O-N 3.37Š|
| 148 | D | 25.7 | Very low | 25.9 | Very low | 141 Ų | 141 | 135.1 Ų | 135.1 | 75% | 0.754 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.6 | 40.9 | -172.7 | -65.3 | -34.5 | 0 | 0 | 0 | 114.1 | S146 S150 | S146-D148 PolarHBondContact O-N 3.5Å; D148-S150 PolarHBondContact O-N 3.33Å |
| 149 | L | 30.2 | Very low | 25.6 | Very low | 132 Ų | 132 | 133.4 Ų | 133.4 | 69% | 0.691 | 71% | 0.713 | S | S | * | * | trans | -89.9 | 57.8 | 160.4 | -73.3 | 170.4 | 0 | 0 | 0 | 110.6 | V151 | L149-V151 HydrophobicContact CD2-CG2 4.09Å; L149-V151 PolarHBondContact O-N 2.92Å; L149-V151 VanDerWaalsContact O-N 3.11Å | ||
| 150 | S | 20.7 | Very low | 25.2 | Very low | 104 Ų | 104 | 135.8 Ų | 135.8 | 73% | 0.727 | 73% | 0.727 | S | S | * | * | trans | -75.1 | 81.4 | 146.4 | 68.5 | 0 | 0 | 0 | 0 | 107 | D148 E152 | D148-S150 PolarHBondContact O-N 3.33Å; S150-E152 PolarHBondContact O-N 3.44Å | ||
| 151 | V | 24 | Very low | 24.8 | Very low | 99 Ų | 99 | 138.1 Ų | 138.1 | 60% | 0.6 | 73% | 0.731 | S | S | * | * | trans | -67.1 | 93.7 | 159.7 | -179.7 | 0 | 0 | 0 | 0 | 105.3 | L149 T153 | L149-V151 HydrophobicContact CD2-CG2 4.09Å; L149-V151 PolarHBondContact O-N 2.92Å; L149-V151 VanDerWaalsContact O-N 3.11Å; V151-T153 HydrophobicContact CG1-CG2 4.42Å; V151-T153 PolarHBondContact O-N 2.99Å | ||
| 152 | E | 21 | Very low | 24.7 | Very low | 153 Ų | 153 | 137 Ų | 137 | 72% | 0.715 | 73% | 0.732 | S | S | * | * | trans | -73.6 | 73 | 171.5 | -169.3 | 173.8 | -156 | 0 | 0 | 108.1 | S150 A154 | S150-E152 PolarHBondContact O-N 3.44Å; E152-A154 PolarHBondContact O-N 2.91Å | ||
| 153 | T | 25.6 | Very low | 24.5 | Very low | 73 Ų | 73 | 135.9 Ų | 135.9 | 45% | 0.448 | 73% | 0.729 | S | S | . | * | trans | -72.4 | 119.8 | 153.2 | 32.9 | 0 | 0 | 0 | 0 | 106.7 | V151 R155 | V151-T153 HydrophobicContact CG1-CG2 4.42Å; V151-T153 PolarHBondContact O-N 2.99Å; T153-R155 WeakPolarHBondContact CB-O 3.46Å; T153-R155 CarbonylContact O-C 3.51Å; T153-R155 PolarHBondContact O-N 2.91Å; T153-R155 PolarHBondContact OG1-O 3.13Å | ||
| 154 | A | 25 | Very low | 24.1 | Very low | 110 Ų | 110 | 134.4 Ų | 134.4 | 91% | 0.909 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -56.6 | -1.6 | 163.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | E152 | E152-A154 PolarHBondContact O-N 2.91Š|
| 155 | R | 28.2 | Very low | 24.3 | Very low | 225 Ų | 225 | 131.8 Ų | 131.8 | 85% | 0.849 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -113.5 | 110.7 | 165.7 | -82.1 | 177.3 | 158 | -172.4 | -7.3 | 110.4 | T153 | T153-R155 WeakPolarHBondContact CB-O 3.46Å; T153-R155 CarbonylContact O-C 3.51Å; T153-R155 PolarHBondContact O-N 2.91Å; T153-R155 PolarHBondContact OG1-O 3.13Å |
| 156 | R | 24.5 | Very low | 24 | Very low | 229 Ų | 229 | 132 Ų | 132 | 86% | 0.864 | 73% | 0.726 | S | S | * | * | trans | 41.5 | 88.7 | 167 | -66.5 | -174 | -175.1 | -175.1 | 2.6 | 116.6 | F158 | R156-F158 PolarHBondContact O-N 3.15Š| ||
| 157 | K | 21.1 | Very low | 23.8 | Very low | 152 Ų | 152 | 132.9 Ų | 132.9 | 66% | 0.661 | 74% | 0.738 | S | S | * | * | trans | -56.6 | 118.2 | 159.9 | -65.4 | 174.7 | 177.1 | 179 | 0 | 109.7 | ||||
| 158 | F | 21.9 | Very low | 23.7 | Very low | 177 Ų | 177 | 134.2 Ų | 134.2 | 78% | 0.776 | 74% | 0.739 | S | S | * | * | trans | -111.4 | 116.5 | 158.8 | 47.5 | -89.9 | 0 | 0 | 0 | 107.8 | R156 V160 | R156-F158 PolarHBondContact O-N 3.15Å; F158-V160 HydrophobicContact CD2-CG2 4.11Å | ||
| 159 | T | 19.9 | Very low | 23.6 | Very low | 115 Ų | 115 | 133.7 Ų | 133.7 | 71% | 0.706 | 74% | 0.741 | S | S | * | * | trans | -85.1 | 113.8 | 177.3 | -35.3 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 160 | V | 21.4 | Very low | 23.4 | Very low | 118 Ų | 118 | 131.9 Ų | 131.9 | 72% | 0.715 | 75% | 0.745 | S | S | * | * | trans | -96.7 | 109.8 | 172.5 | -176.2 | 0 | 0 | 0 | 0 | 107.4 | F158 | F158-V160 HydrophobicContact CD2-CG2 4.11Š| ||
| 161 | H | 20.4 | Very low | 23.6 | Very low | 151 Ų | 151 | 132.6 Ų | 132.6 | 70% | 0.699 | 75% | 0.747 | S | S | * | * | trans | -80 | 127.8 | 170.2 | -77.2 | -71.2 | 0 | 0 | 0 | 109.2 | V163 | H161-V163 PolarHBondContact O-N 2.89Å; H161-V163 VanDerWaalsContact O-N 3.15Å | ||
| 162 | P | 22.4 | Very low | 24 | Very low | 119 Ų | 119 | 132 Ų | 132 | 77% | 0.773 | 75% | 0.753 | S | S | * | * | trans | -63.9 | 116.9 | 167.3 | 25.6 | -30.4 | 0 | 0 | 0 | 108.1 | A164 | P162-A164 PolarHBondContact O-N 3.31Å; P162-A164 VanDerWaalsContact O-N 3.07Å | ||
| 163 | V | 22.3 | Very low | 24.4 | Very low | 124 Ų | 124 | 132.2 Ų | 132.2 | 75% | 0.752 | 76% | 0.759 | S | S | * | * | trans | -67.6 | 107.8 | 168.9 | 173.6 | 0 | 0 | 0 | 0 | 106.5 | H161 T165 | H161-V163 PolarHBondContact O-N 2.89Å; H161-V163 VanDerWaalsContact O-N 3.15Å; V163-T165 PolarHBondContact O-N 2.99Å | ||
| 164 | A | 22.1 | Very low | 24.6 | Very low | 87 Ų | 87 | 132.3 Ų | 132.3 | 72% | 0.719 | 77% | 0.774 | S | S | * | * | trans | -64.2 | 101.7 | 167.1 | 0 | 0 | 0 | 0 | 0 | 107.6 | P162 V166 | P162-A164 PolarHBondContact O-N 3.31Å; P162-A164 VanDerWaalsContact O-N 3.07Å; A164-V166 VanDerWaalsContact C-N 3.35Å; A164-V166 PolarHBondContact O-N 3.26Å | ||
| 165 | T | 27.4 | Very low | 24.8 | Very low | 133 Ų | 133 | 133 Ų | 133 | 82% | 0.816 | 77% | 0.772 | S | S | * | * | trans | -66.9 | 96.3 | 173.1 | -2.4 | 0 | 0 | 0 | 0 | 107.7 | V163 A167 | V163-T165 PolarHBondContact O-N 2.99Å; T165-A167 PolarHBondContact O-N 2.87Å; T165-A167 VanDerWaalsContact O-N 3.13Å | ||
| 166 | V | 23.1 | Very low | 24.7 | Very low | 122 Ų | 122 | 129.1 Ų | 129.1 | 74% | 0.739 | 77% | 0.773 | S | S | * | * | trans | -58.4 | 117.9 | 164.7 | 178.5 | 0 | 0 | 0 | 0 | 106.2 | A164 L168 | A164-V166 VanDerWaalsContact C-N 3.35Å; A164-V166 PolarHBondContact O-N 3.26Å; V166-L168 PolarHBondContact O-N 3.22Å | ||
| 167 | A | 24.9 | Very low | 24.8 | Very low | 88 Ų | 88 | 123.3 Ų | 123.3 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | trans | -57.4 | 104.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | T165 T169 | T165-A167 PolarHBondContact O-N 2.87Å; T165-A167 VanDerWaalsContact O-N 3.13Å; A167-T169 PolarHBondContact O-N 3.18Å | ||
| 168 | L | 25.1 | Very low | 25.1 | Very low | 166 Ų | 166 | 122.5 Ų | 122.5 | 87% | 0.869 | 78% | 0.775 | S | S | * | * | trans | -67.2 | 97.2 | 174 | -80.8 | 156.3 | 0 | 0 | 0 | 107.6 | V166 A170 | V166-L168 PolarHBondContact O-N 3.22Å; L168-A170 PolarHBondContact O-N 3.27Å | ||
| 169 | T | 24.4 | Very low | 25.2 | Very low | 130 Ų | 130 | 118.8 Ų | 118.8 | 80% | 0.798 | 77% | 0.772 | S | S | * | * | trans | -61.9 | 103.3 | 161.4 | 23.2 | 0 | 0 | 0 | 0 | 107.2 | A167 P171 | A167-T169 PolarHBondContact O-N 3.18Å; T169-P171 WeakPolarHBondContact O-CD 3.42Å; T169-P171 VanDerWaalsContact O-N 3.09Å | ||
| 170 | A | 25.9 | Very low | 25.4 | Very low | 95 Ų | 95 | 118.3 Ų | 118.3 | 79% | 0.785 | 77% | 0.773 | S | S | * | * | trans | -53.1 | 111.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | L168 A172 | L168-A170 PolarHBondContact O-N 3.27Å; A170-A172 PolarHBondContact O-N 2.93Å | ||
| 171 | P | 25.7 | Very low | 25.6 | Very low | 118 Ų | 118 | 118.8 Ų | 118.8 | 77% | 0.766 | 78% | 0.779 | S | S | * | * | trans | -73.9 | 122.8 | 171.4 | -9 | 26.6 | 0 | 0 | 0 | 107.5 | T169 N173 | T169-P171 WeakPolarHBondContact O-CD 3.42Å; T169-P171 VanDerWaalsContact O-N 3.09Å; P171-N173 PolarHBondContact O-N 3.13Å | ||
| 172 | A | 30.9 | Very low | 25.7 | Very low | 87 Ų | 87 | 116.3 Ų | 116.3 | 72% | 0.719 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -57.2 | 127.9 | 164.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | A170 | A170-A172 PolarHBondContact O-N 2.93Š|
| 173 | N | 30.5 | Very low | 25.8 | Very low | 158 Ų | 158 | 118.9 Ų | 118.9 | 85% | 0.845 | 79% | 0.785 | S | S | * | * | S | Bend | trans | 94 | 107.2 | 173.7 | -50.1 | -28.3 | 0 | 0 | 0 | 116.5 | P171 | P171-N173 PolarHBondContact O-N 3.13Š|
| 174 | G | 29.5 | Very low | 26 | Very low | 74 Ų | 74 | 119 Ų | 119 | 76% | 0.763 | 79% | 0.785 | S | S | * | * | S | Bend | trans | 77.3 | 110.5 | 136.2 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||
| 175 | S | 29.5 | Very low | 26.2 | Very low | 124 Ų | 124 | 122.3 Ų | 122.3 | 87% | 0.867 | 79% | 0.791 | S | S | * | * | trans | 84.4 | 88 | 161.6 | -52.1 | 0 | 0 | 0 | 0 | 116.5 | S177 | S175-S177 PolarHBondContact O-N 3.37Š| ||
| 176 | T | 26.8 | Very low | 26.1 | Very low | 144 Ų | 144 | 119.7 Ų | 119.7 | 88% | 0.883 | 78% | 0.782 | S | S | * | * | trans | -69 | 101.9 | 164.8 | 44.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 177 | S | 24.7 | Very low | 26.1 | Very low | 107 Ų | 107 | 119.2 Ų | 119.2 | 75% | 0.748 | 79% | 0.785 | S | S | * | * | trans | -98.5 | 98.3 | 159.4 | 72.7 | 0 | 0 | 0 | 0 | 109.2 | S175 S179 | S175-S177 PolarHBondContact O-N 3.37Å; S177-S179 PolarHBondContact O-N 2.87Å | ||
| 178 | V | 28.9 | Very low | 26.3 | Very low | 135 Ų | 135 | 120.2 Ų | 120.2 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | -67.8 | 107.2 | 169.8 | -78.4 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 179 | S | 22.7 | Very low | 26.3 | Very low | 100 Ų | 100 | 118.5 Ų | 118.5 | 70% | 0.699 | 78% | 0.781 | S | S | * | * | trans | -90.4 | 108.8 | 166.1 | -65 | 0 | 0 | 0 | 0 | 108 | S177 | S177-S179 PolarHBondContact O-N 2.87Š| ||
| 180 | S | 24.5 | Very low | 26.3 | Very low | 105 Ų | 105 | 119.5 Ų | 119.5 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | trans | -58.2 | 140.4 | 170.7 | -53.3 | 0 | 0 | 0 | 0 | 110.1 | S182 | S180-S182 PolarHBondContact O-N 2.97Å; S180-S182 VanDerWaalsContact O-N 3.13Å | ||
| 181 | P | 25.9 | Very low | 26.2 | Very low | 128 Ų | 128 | 119.9 Ų | 119.9 | 83% | 0.831 | 78% | 0.776 | S | S | * | * | trans | -66.2 | 114.7 | 180 | 25.4 | -31.9 | 0 | 0 | 0 | 110.4 | L183 | P181-L183 PolarHBondContact O-N 3.4Š| ||
| 182 | S | 22.5 | Very low | 26 | Very low | 98 Ų | 98 | 121.6 Ų | 121.6 | 69% | 0.685 | 78% | 0.779 | S | S | * | * | trans | -68.2 | 119.7 | 170.2 | 58.6 | 0 | 0 | 0 | 0 | 109.3 | S180 V184 | S180-S182 PolarHBondContact O-N 2.97Å; S180-S182 VanDerWaalsContact O-N 3.13Å; S182-V184 WeakPolarHBondContact O-CG2 3.26Å; S182-V184 PolarHBondContact O-N 3.29Å | ||
| 183 | L | 24.9 | Very low | 25.8 | Very low | 174 Ų | 174 | 124.1 Ų | 124.1 | 91% | 0.911 | 79% | 0.786 | S | S | * | * | trans | -63.8 | 92 | 172.9 | -71.2 | 162.5 | 0 | 0 | 0 | 109.5 | P181 N185 | P181-L183 PolarHBondContact O-N 3.4Å; L183-N185 PolarHBondContact O-N 3.11Å | ||
| 184 | V | 25.4 | Very low | 25.4 | Very low | 125 Ų | 125 | 120 Ų | 120 | 76% | 0.758 | 78% | 0.781 | S | S | * | * | trans | -78.9 | 94 | 176 | -147.1 | 0 | 0 | 0 | 0 | 108.2 | S182 A186 | S182-V184 WeakPolarHBondContact O-CG2 3.26Å; S182-V184 PolarHBondContact O-N 3.29Å; V184-A186 PolarHBondContact O-N 3.15Å | ||
| 185 | N | 26.2 | Very low | 25.3 | Very low | 157 Ų | 157 | 123.3 Ų | 123.3 | 84% | 0.84 | 79% | 0.786 | S | S | * | * | trans | -77.8 | 100.8 | 169.4 | -163.4 | 26.6 | 0 | 0 | 0 | 107.6 | L183 | L183-N185 PolarHBondContact O-N 3.11Š| ||
| 186 | A | 26.7 | Very low | 24.9 | Very low | 78 Ų | 78 | 128.3 Ų | 128.3 | 65% | 0.645 | 79% | 0.786 | S | S | * | * | trans | -141.7 | 91.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | V184 T188 | V184-A186 PolarHBondContact O-N 3.15Å; A186-T188 PolarHBondContact O-N 3.07Å | ||
| 187 | S | 23.5 | Very low | 24.9 | Very low | 112 Ų | 112 | 127.9 Ų | 127.9 | 78% | 0.783 | 78% | 0.778 | S | S | * | * | trans | -64.5 | 103.6 | 155.7 | -56.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 188 | T | 27.2 | Very low | 24.8 | Very low | 110 Ų | 110 | 128.9 Ų | 128.9 | 68% | 0.675 | 78% | 0.775 | S | S | * | * | trans | -170.2 | 120.7 | 150 | 32.3 | 0 | 0 | 0 | 0 | 109.7 | A186 | A186-T188 PolarHBondContact O-N 3.07Š| ||
| 189 | P | 26.3 | Very low | 24.7 | Very low | 130 Ų | 130 | 129.6 Ų | 129.6 | 84% | 0.844 | 77% | 0.774 | S | S | * | * | trans | -87.1 | 117.3 | -178.9 | 32.3 | -28.5 | 0 | 0 | 0 | 109.9 | ||||
| 190 | I | 25.1 | Very low | 24.9 | Very low | 150 Ų | 150 | 129.9 Ų | 129.9 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | trans | -138.4 | 104.8 | 170.9 | -44.5 | 177.6 | 0 | 0 | 0 | 111.3 | ||||
| 191 | S | 22.7 | Very low | 24.9 | Very low | 103 Ų | 103 | 135.1 Ų | 135.1 | 72% | 0.72 | 78% | 0.781 | S | S | * | * | trans | 33.4 | 121.4 | 138.3 | -160 | 0 | 0 | 0 | 0 | 120.1 | T193 | S191-T193 PolarHBondContact O-N 2.94Š| ||
| 192 | N | 22.5 | Very low | 24.8 | Very low | 155 Ų | 155 | 137 Ų | 137 | 83% | 0.829 | 78% | 0.779 | S | S | * | * | trans | -29.6 | 113.8 | 157.3 | -73 | -12 | 0 | 0 | 0 | 113.5 | ||||
| 193 | T | 24.9 | Very low | 25 | Very low | 140 Ų | 140 | 136.4 Ų | 136.4 | 86% | 0.859 | 78% | 0.78 | S | S | * | * | trans | -170.8 | 116.7 | 135.9 | 17 | 0 | 0 | 0 | 0 | 108.4 | S191 | S191-T193 PolarHBondContact O-N 2.94Š| ||
| 194 | G | 23 | Very low | 25.1 | Very low | 71 Ų | 71 | 133 Ų | 133 | 73% | 0.732 | 78% | 0.777 | S | S | * | * | trans | 43.4 | 150 | 143.1 | 0 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 195 | V | 27 | Very low | 25.1 | Very low | 143 Ų | 143 | 130.9 Ų | 130.9 | 87% | 0.867 | 77% | 0.773 | S | S | * | * | trans | 92.7 | 88.7 | 148.6 | -154 | 0 | 0 | 0 | 0 | 117 | ||||
| 196 | R | 21.4 | Very low | 25.1 | Very low | 230 Ų | 230 | 130.3 Ų | 130.3 | 87% | 0.868 | 78% | 0.775 | S | S | * | * | 24 | 109.6 | 119.5 | -159.1 | -176.6 | -158.4 | -178.9 | 5.3 | 117.3 | |||||
| 197 | N | 26.2 | Very low | 24.9 | Very low | 135 Ų | 135 | 131.3 Ų | 131.3 | 72% | 0.722 | 78% | 0.777 | S | S | * | * | 174.2 | 131.3 | 123.5 | -113.9 | 10.2 | 0 | 0 | 0 | 115.5 | |||||
| 198 | D | 23.3 | Very low | 25.3 | Very low | 127 Ų | 127 | 132.4 Ų | 132.4 | 68% | 0.679 | 77% | 0.773 | S | S | * | * | trans | 26.1 | 126.1 | 133 | -55.7 | -20.4 | 0 | 0 | 0 | 123.6 | ||||
| 199 | N | 25.8 | Very low | 25.1 | Very low | 151 Ų | 151 | 134.8 Ų | 134.8 | 81% | 0.807 | 78% | 0.778 | S | S | * | * | trans | 56.3 | 123.2 | 140 | -68.1 | -11.8 | 0 | 0 | 0 | 121 | ||||
| 200 | S | 27.4 | Very low | 25 | Very low | 106 Ų | 106 | 136.2 Ų | 136.2 | 74% | 0.741 | 77% | 0.774 | S | S | * | * | 166 | 134.9 | 118.2 | 33 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 201 | Y | 25.2 | Very low | 25.1 | Very low | 214 Ų | 214 | 134.3 Ų | 134.3 | 84% | 0.839 | 77% | 0.774 | S | S | * | * | trans | 66.1 | 123.2 | 134.6 | -63.5 | -61.3 | 0 | 0 | 0 | 126.1 | ||||
| 202 | Q | 23.9 | Very low | 25.1 | Very low | 168 Ų | 168 | 135.7 Ų | 135.7 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | 99 | 135 | 118.4 | -90.3 | -162.8 | 6.2 | 0 | 0 | 125.2 | |||||
| 203 | A | 26.5 | Very low | 25.5 | Very low | 86 Ų | 86 | 134.3 Ų | 134.3 | 71% | 0.711 | 78% | 0.777 | S | S | * | * | trans | 88.2 | 115.8 | 137.6 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 204 | A | 26.2 | Very low | 25.4 | Very low | 102 Ų | 102 | 135.4 Ų | 135.4 | 84% | 0.843 | 77% | 0.773 | S | S | * | * | 93.1 | 149.8 | 90.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 205 | A | 25.5 | Very low | 25.5 | Very low | 81 Ų | 81 | 139 Ų | 139 | 67% | 0.669 | 77% | 0.773 | S | S | * | * | cis | -176.5 | 169.6 | -13.6 | 0 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 206 | T | 27.3 | Very low | 25.6 | Very low | 145 Ų | 145 | 139.5 Ų | 139.5 | 89% | 0.89 | 77% | 0.77 | S | S | * | * | trans | 77.2 | 150.6 | 164.6 | 71.1 | 0 | 0 | 0 | 0 | 118 | ||||
| 207 | S | 22.9 | Very low | 25.8 | Very low | 99 Ų | 99 | 134.3 Ų | 134.3 | 69% | 0.692 | 77% | 0.769 | S | S | * | * | cis | 169.6 | 166.7 | -16.9 | 179.2 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 208 | I | 31 | Very low | 25.7 | Very low | 135 Ų | 135 | 131.8 Ų | 131.8 | 69% | 0.692 | 78% | 0.776 | S | S | * | * | trans | 103.2 | 104.7 | 154.6 | -53.3 | 172.5 | 0 | 0 | 0 | 117.3 | ||||
| 209 | M | 22.5 | Very low | 25.7 | Very low | 159 Ų | 159 | 129.5 Ų | 129.5 | 78% | 0.783 | 78% | 0.781 | S | S | * | * | 37 | 147.2 | 117.6 | -67.4 | -178.4 | -93.7 | 0 | 0 | 118 | |||||
| 210 | E | 25 | Very low | 25.7 | Very low | 160 Ų | 160 | 128.1 Ų | 128.1 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | cis | 170.3 | 165.1 | 12.3 | 164.9 | 174.3 | -167.9 | 0 | 0 | 104.7 | ||||
| 211 | S | 26.2 | Very low | 25.9 | Very low | 111 Ų | 111 | 127.8 Ų | 127.8 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | trans | 118.3 | 102.7 | 153.7 | -44.7 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 212 | V | 23.8 | Very low | 25.8 | Very low | 132 Ų | 132 | 122.3 Ų | 122.3 | 80% | 0.8 | 79% | 0.787 | S | S | * | * | trans | -73.3 | 142.8 | 156.3 | 172.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 213 | P | 31.4 | Very low | 25.7 | Very low | 125 Ų | 125 | 117.9 Ų | 117.9 | 81% | 0.812 | 79% | 0.786 | S | S | * | * | trans | -98.9 | 118 | 152.3 | 25.6 | -11.3 | 0 | 0 | 0 | 110.4 | ||||
| 214 | E | 22 | Very low | 26.1 | Very low | 164 Ų | 164 | 120 Ų | 120 | 77% | 0.766 | 79% | 0.792 | S | S | * | * | trans | -81.1 | -167.6 | 164.2 | -150 | 178.2 | -176.6 | 0 | 0 | 109.5 | ||||
| 215 | I | 25.6 | Very low | 26 | Very low | 146 Ų | 146 | 121.9 Ų | 121.9 | 75% | 0.749 | 79% | 0.793 | S | S | * | * | trans | 75.7 | 129.6 | 168.5 | 55.3 | 168.8 | 0 | 0 | 0 | 118 | ||||
| 216 | L | 28.9 | Very low | 26.1 | Very low | 153 Ų | 153 | 121.7 Ų | 121.7 | 80% | 0.801 | 80% | 0.799 | S | S | * | * | cis | -161.9 | 148.9 | 6.9 | -106.1 | 158.7 | 0 | 0 | 0 | 111.2 | ||||
| 217 | S | 24.1 | Very low | 26 | Very low | 121 Ų | 121 | 126 Ų | 126 | 85% | 0.846 | 80% | 0.799 | S | S | * | * | trans | -60.2 | 151.7 | 164.5 | -57.1 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 218 | G | 25.4 | Very low | 26.1 | Very low | 83 Ų | 83 | 126.1 Ų | 126.1 | 86% | 0.856 | 80% | 0.8 | S | S | * | * | trans | 162.4 | 117.7 | 159.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 219 | G | 23 | Very low | 26 | Very low | 78 Ų | 78 | 127 Ų | 127 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | cis | 144.4 | 121.4 | 21.2 | 0 | 0 | 0 | 0 | 0 | 106 | ||||
| 220 | S | 25.5 | Very low | 26.5 | Very low | 123 Ų | 123 | 125 Ų | 125 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | trans | -56 | 153.8 | 180 | -58.7 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 221 | A | 31.4 | Very low | 26.6 | Very low | 99 Ų | 99 | 124.3 Ų | 124.3 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | trans | -148.7 | 101.3 | 138.1 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 222 | A | 23.6 | Very low | 26.5 | Very low | 99 Ų | 99 | 124.5 Ų | 124.5 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | 67.7 | 97.3 | 64.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 223 | G | 22.7 | Very low | 26.6 | Very low | 75 Ų | 75 | 122.4 Ų | 122.4 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | trans | 94.4 | 165.6 | 137.4 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 224 | P | 34.1 | Very low | 26.6 | Very low | 130 Ų | 130 | 126.9 Ų | 126.9 | 84% | 0.844 | 81% | 0.805 | S | S | * | * | cis | -121.7 | 153.4 | 2.5 | 35.9 | -20.2 | 0 | 0 | 0 | 115.3 | ||||
| 225 | V | 24.2 | Very low | 26.7 | Very low | 141 Ų | 141 | 123.6 Ų | 123.6 | 86% | 0.855 | 80% | 0.8 | S | S | * | * | trans | -63.4 | 128.6 | 155.9 | 170.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 226 | G | 28.4 | Very low | 26.7 | Very low | 78 Ų | 78 | 123.5 Ų | 123.5 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | trans | -145.6 | 90.5 | 173 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 227 | R | 23.8 | Very low | 26.9 | Very low | 235 Ų | 235 | 121.1 Ų | 121.1 | 89% | 0.887 | 80% | 0.802 | S | S | * | * | trans | -68.4 | 136.2 | 165.1 | -78 | 167.7 | 144.9 | -178.1 | -6.2 | 110 | ||||
| 228 | S | 26.4 | Very low | 26.9 | Very low | 101 Ų | 101 | 120.2 Ų | 120.2 | 71% | 0.706 | 80% | 0.796 | S | S | * | * | trans | 171.8 | 99.5 | 138.2 | 46.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 229 | I | 27.3 | Very low | 27.7 | Very low | 154 Ų | 154 | 121.9 Ų | 121.9 | 79% | 0.79 | 79% | 0.792 | S | S | * | * | 77.3 | 122.3 | 107.9 | -62.3 | 161.9 | 0 | 0 | 0 | 113.4 | |||||
| 230 | P | 33.4 | Very low | 28.1 | Very low | 117 Ų | 117 | 126.1 Ų | 126.1 | 76% | 0.76 | 79% | 0.794 | S | S | * | * | trans | -87.7 | 135.4 | -177.7 | 35 | -29.4 | 0 | 0 | 0 | 110.2 | ||||
| 231 | D | 27.7 | Very low | 28.1 | Very low | 145 Ų | 145 | 124 Ų | 124 | 78% | 0.775 | 78% | 0.784 | S | S | * | * | trans | -128 | 109.5 | 163.3 | -108.5 | -31.3 | 0 | 0 | 0 | 111.3 | ||||
| 232 | T | 24.5 | Very low | 27.8 | Very low | 116 Ų | 116 | 126.3 Ų | 126.3 | 71% | 0.712 | 79% | 0.787 | S | S | * | * | trans | 46.5 | 111.3 | 131.6 | 30.5 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 233 | A | 25.9 | Very low | 27.9 | Very low | 88 Ų | 88 | 125.8 Ų | 125.8 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | 62 | 110.3 | 123.6 | 0 | 0 | 0 | 0 | 0 | 117.5 | |||||
| 234 | K | 31.2 | Very low | 28.5 | Very low | 218 Ų | 218 | 128 Ų | 128 | 95% | 0.948 | 78% | 0.784 | S | S | * | * | -162.2 | 157.7 | 109.6 | -106.6 | 162.5 | -173.2 | 175.1 | 0 | 112.4 | |||||
| 235 | S | 24.5 | Very low | 28.5 | Very low | 96 Ų | 96 | 134 Ų | 134 | 67% | 0.671 | 79% | 0.789 | S | S | * | * | trans | -113.7 | 162.9 | -153.9 | -158.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 236 | I | 25.1 | Very low | 28.6 | Very low | 144 Ų | 144 | 136.2 Ų | 136.2 | 74% | 0.738 | 79% | 0.791 | S | S | * | * | trans | 72.7 | 109.1 | 153.3 | -59 | 145.1 | 0 | 0 | 0 | 116.4 | ||||
| 237 | A | 33.1 | Very low | 28.9 | Very low | 103 Ų | 103 | 138.2 Ų | 138.2 | 85% | 0.851 | 79% | 0.789 | S | S | * | * | -144 | 121.2 | 128.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 238 | S | 24.8 | Very low | 29.1 | Very low | 102 Ų | 102 | 136.1 Ų | 136.1 | 71% | 0.713 | 79% | 0.787 | S | S | * | * | trans | -85 | -154.3 | -176.4 | -55 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 239 | P | 40.9 | Very low | 29.2 | Very low | 118 Ų | 118 | 138.1 Ų | 138.1 | 77% | 0.766 | 79% | 0.789 | S | S | * | * | -122.1 | 160.9 | -110.2 | 34.9 | -14.9 | 0 | 0 | 0 | 114.1 | |||||
| 240 | I | 31.8 | Very low | 29.2 | Very low | 167 Ų | 167 | 136.1 Ų | 136.1 | 86% | 0.856 | 79% | 0.788 | S | S | * | * | trans | -143.1 | 99.7 | 167.4 | -60.7 | 179.9 | 0 | 0 | 0 | 106.4 | ||||
| 241 | A | 26.3 | Very low | 29.2 | Very low | 78 Ų | 78 | 135.7 Ų | 135.7 | 65% | 0.645 | 79% | 0.788 | S | S | * | * | 88.4 | 115.7 | 79.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 242 | V | 23.9 | Very low | 29.4 | Very low | 148 Ų | 148 | 136.1 Ų | 136.1 | 90% | 0.897 | 80% | 0.796 | S | S | * | * | trans | 68.7 | 131.8 | 134.4 | -178.8 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 243 | A | 26.8 | Very low | 29.8 | Very low | 87 Ų | 87 | 136 Ų | 136 | 72% | 0.719 | 80% | 0.8 | S | S | * | * | cis | -166.3 | 179 | 32.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 244 | P | 34.5 | Very low | 30 | Very low | 123 Ų | 123 | 135.1 Ų | 135.1 | 80% | 0.799 | 80% | 0.799 | S | S | * | * | trans | -94.6 | 152.1 | -156.6 | 37.4 | -33.3 | 0 | 0 | 0 | 114.8 | ||||
| 245 | R | 34.4 | Very low | 30.1 | Very low | 254 Ų | 254 | 130.6 Ų | 130.6 | 96% | 0.958 | 79% | 0.79 | S | S | * | * | trans | -130.8 | 137 | 157.8 | -80.5 | -166.8 | 169.8 | -179.4 | -1.8 | 111.4 | ||||
| 246 | E | 25.3 | Very low | 30.2 | Very low | 189 Ų | 189 | 137 Ų | 137 | 88% | 0.883 | 80% | 0.8 | S | S | * | * | trans | -66.7 | 168.1 | -169.8 | -83.9 | -179.6 | 157.2 | 0 | 0 | 116.3 | ||||
| 247 | P | 36.2 | Very low | 30.6 | Very low | 119 Ų | 119 | 135.3 Ų | 135.3 | 77% | 0.773 | 80% | 0.8 | S | S | * | * | trans | -92.3 | 139.8 | -159.3 | 34.7 | -30.4 | 0 | 0 | 0 | 112.7 | ||||
| 248 | K | 26.9 | Very low | 30.5 | Very low | 192 Ų | 192 | 138.1 Ų | 138.1 | 84% | 0.835 | 79% | 0.793 | S | S | * | * | trans | -152.1 | 122.7 | 156.8 | -111.6 | 169.7 | -172.6 | 174.9 | 0 | 112.7 | ||||
| 249 | L | 29 | Very low | 31 | Very low | 143 Ų | 143 | 138.4 Ų | 138.4 | 75% | 0.749 | 79% | 0.793 | S | S | * | * | trans | 74.2 | 100.5 | 149.5 | -64.3 | 162.4 | 0 | 0 | 0 | 118.4 | S251 | L249-S251 PolarHBondContact O-N 2.99Š| ||
| 250 | S | 27 | Very low | 30.6 | Very low | 111 Ų | 111 | 140.9 Ų | 140.9 | 78% | 0.776 | 80% | 0.799 | S | S | * | * | trans | -26.2 | 112.1 | 145 | 54.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 251 | S | 33.5 | Very low | 30.7 | Very low | 108 Ų | 108 | 140.6 Ų | 140.6 | 76% | 0.755 | 80% | 0.798 | S | S | * | * | trans | -135.7 | 110.6 | 153.5 | -73.5 | 0 | 0 | 0 | 0 | 106.4 | L249 S253 | L249-S251 PolarHBondContact O-N 2.99Å; S251-S253 VanDerWaalsContact C-N 3.31Å; S251-S253 PolarHBondContact O-N 3.37Å | ||
| 252 | T | 31.4 | Very low | 30.9 | Very low | 155 Ų | 155 | 141.5 Ų | 141.5 | 95% | 0.951 | 80% | 0.8 | S | S | * | * | trans | -61.3 | 91.7 | 172.4 | 46.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 253 | S | 34.2 | Very low | 31.3 | Very low | 113 Ų | 113 | 142.7 Ų | 142.7 | 79% | 0.79 | 80% | 0.8 | S | S | * | * | trans | -126.9 | 92.2 | 165.7 | 152.5 | 0 | 0 | 0 | 0 | 103.9 | S251 | S251-S253 VanDerWaalsContact C-N 3.31Å; S251-S253 PolarHBondContact O-N 3.37Å | ||
| 254 | G | 30.3 | Very low | 31.4 | Very low | 69 Ų | 69 | 144 Ų | 144 | 71% | 0.711 | 80% | 0.799 | S | S | * | * | 93.6 | 69.9 | 71.9 | 0 | 0 | 0 | 0 | 0 | 107.2 | |||||
| 255 | V | 32.4 | Very low | 31.3 | Very low | 124 Ų | 124 | 145.5 Ų | 145.5 | 75% | 0.752 | 80% | 0.8 | S | S | * | * | trans | 31.4 | 99.3 | 161.2 | -167.9 | 0 | 0 | 0 | 0 | 116.4 | S257 | V255-S257 VanDerWaalsContact C-N 3.3Å; V255-S257 PolarHBondContact O-N 2.62Å | ||
| 256 | R | 27.2 | Very low | 31.3 | Very low | 231 Ų | 231 | 136.2 Ų | 136.2 | 87% | 0.872 | 78% | 0.783 | S | S | * | * | trans | -60.1 | 88.8 | 158.4 | -166.7 | -178.4 | -169.6 | -174.5 | 3.8 | 108.8 | K258 | R256-K258 VanDerWaalsContact C-N 3.35Å; R256-K258 PolarHBondContact O-N 2.9Å | ||
| 257 | S | 32 | Very low | 32.2 | Very low | 107 Ų | 107 | 136 Ų | 136 | 75% | 0.748 | 79% | 0.788 | S | S | * | * | trans | -65.5 | 95.6 | 171.4 | -54.1 | 0 | 0 | 0 | 0 | 108.6 | V255 | V255-S257 VanDerWaalsContact C-N 3.3Å; V255-S257 PolarHBondContact O-N 2.62Å | ||
| 258 | K | 32.8 | Very low | 32.4 | Very low | 163 Ų | 163 | 135.9 Ų | 135.9 | 71% | 0.709 | 78% | 0.777 | S | S | * | * | trans | -60.9 | 140.6 | 164.9 | -69.8 | 175.9 | 179.3 | 174.4 | 0 | 107.7 | R256 L260 | R256-K258 VanDerWaalsContact C-N 3.35Å; R256-K258 PolarHBondContact O-N 2.9Å; K258-L260 PolarHBondContact O-N 3.36Å | ||
| 259 | P | 34.6 | Very low | 32.9 | Very low | 108 Ų | 108 | 133.2 Ų | 133.2 | 70% | 0.701 | 77% | 0.772 | S | S | * | * | trans | -61.1 | 127.7 | 177.8 | 26.2 | -32.1 | 0 | 0 | 0 | 108.4 | L261 | P259-L261 PolarHBondContact O-N 3.21Š| ||
| 260 | L | 33.1 | Very low | 33.5 | Very low | 170 Ų | 170 | 129.9 Ų | 129.9 | 89% | 0.89 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -66.4 | 72.5 | 168.9 | -77.9 | 162.6 | 0 | 0 | 0 | 108.7 | K258 | K258-L260 PolarHBondContact O-N 3.36Š|
| 261 | L | 33.3 | Very low | 34 | Very low | 160 Ų | 160 | 126.9 Ų | 126.9 | 84% | 0.838 | 75% | 0.751 | S | S | * | * | trans | -123.3 | 59.7 | 165.1 | -75.7 | 170.9 | 0 | 0 | 0 | 107.1 | P259 | P259-L261 PolarHBondContact O-N 3.21Š| ||
| 262 | S | 30.3 | Very low | 34.2 | Very low | 98 Ų | 98 | 128.7 Ų | 128.7 | 69% | 0.685 | 75% | 0.748 | S | S | * | * | trans | -151.6 | 63.2 | 167.7 | 72.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 263 | L | 31.3 | Very low | 34.4 | Very low | 172 Ų | 172 | 125.3 Ų | 125.3 | 90% | 0.901 | 72% | 0.723 | S | S | * | * | trans | -120.5 | 84.6 | 151 | -92.8 | 152.2 | 0 | 0 | 0 | 106.3 | ||||
| 264 | V | 28.6 | Very low | 34.6 | Very low | 116 Ų | 116 | 125.4 Ų | 125.4 | 70% | 0.703 | 71% | 0.713 | S | S | * | * | trans | -92.3 | 136.2 | 162.6 | 155.7 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 265 | N | 33.1 | Very low | 35.2 | Very low | 154 Ų | 154 | 127.7 Ų | 127.7 | 82% | 0.824 | 71% | 0.71 | S | S | * | * | trans | 105 | 107.4 | 164.8 | -62 | -25.7 | 0 | 0 | 0 | 117.5 | ||||
| 266 | G | 34.7 | Very low | 35.3 | Very low | 58 Ų | 58 | 126.3 Ų | 126.3 | 60% | 0.598 | 71% | 0.705 | S | S | * | * | S | Bend | trans | 125.4 | 94.7 | 143.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | E268 | G266-E268 PolarHBondContact O-N 3.07Š|
| 267 | D | 43.6 | Very low | 35.6 | Very low | 184 Ų | 184 | 120.3 Ų | 120.3 | 98% | 0.984 | 69% | 0.69 | S | S | * | * | trans | 34.7 | 23.2 | 147.8 | -80.1 | -17.2 | 0 | 0 | 0 | 121.6 | ||||
| 268 | E | 40.6 | Very low | 35.9 | Very low | 118 Ų | 118 | 121.2 Ų | 121.2 | 55% | 0.551 | 69% | 0.686 | S | S | * | * | trans | -92.8 | 112.8 | 175.1 | 57.5 | -166 | 139.2 | 0 | 0 | 110.8 | G266 A270 M273 | G266-E268 PolarHBondContact O-N 3.07Å; E268-A270 PolarHBondContact O-N 3.44Å; E268-M273 HydrophobicContact CG-CG 4.1Å; E268-M273 HydrophobicContact CG-SD 4.09Å | ||
| 269 | N | 38.3 | Very low | 36.3 | Very low | 135 Ų | 135 | 118.8 Ų | 118.8 | 72% | 0.722 | 69% | 0.686 | S | S | * | * | trans | -55.7 | 125.9 | 179 | -162.3 | -5.2 | 0 | 0 | 0 | 109.5 | G271 Q272 | N269-G271 PolarHBondContact O-N 2.6Å; N269-Q272 PolarHBondContact O-N 2.82Å | ||
| 270 | A | 41.5 | Very low | 36.4 | Very low | 74 Ų | 74 | 117.9 Ų | 117.9 | 61% | 0.612 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -51.3 | -18.9 | -169.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | E268 | E268-A270 PolarHBondContact O-N 3.44Å |
| 271 | G | 36.2 | Very low | 36.3 | Very low | 47 Ų | 47 | 115.5 Ų | 115.5 | 49% | 0.485 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -68 | -34.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | N269 | N269-G271 PolarHBondContact O-N 2.6Å |
| 272 | Q | 39.4 | Very low | 36.4 | Very low | 146 Ų | 146 | 113.6 Ų | 113.6 | 68% | 0.682 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -82.7 | -21.8 | -176.1 | -68 | -158 | -11.3 | 0 | 0 | 113.9 | N269 S276 | N269-Q272 PolarHBondContact O-N 2.82Å; Q272-S276 PolarHBondContact O-N 2.86Å; Q272-S276 VanDerWaalsContact O-N 3.16Å; Q272-S276 PolarHBondContact O-OG 3.3Å |
| 273 | M | 35.1 | Very low | 36.4 | Very low | 85 Ų | 85 | 111.8 Ų | 111.8 | 42% | 0.419 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -69.6 | -35.9 | 174.3 | -76.4 | -175.2 | 67.6 | 0 | 0 | 112.3 | E268 S276 L277 | E268-M273 HydrophobicContact CG-CG 4.1Å; E268-M273 HydrophobicContact CG-SD 4.09Å; M273-S276 PolarHBondContact O-N 3.42Å; M273-L277 WeakPolarHBondContact O-CG 3.04Å; M273-L277 PolarHBondContact O-N 2.84Å; M273-L277 VanDerWaalsContact O-N 3.12Å |
| 274 | L | 39 | Very low | 36.8 | Very low | 114 Ų | 114 | 107.4 Ų | 107.4 | 60% | 0.597 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -69.6 | -41.4 | 178.1 | -70.4 | 174.4 | 0 | 0 | 0 | 111.4 | S276 L277 L278 | L274-S276 VanDerWaalsContact C-N 3.27Å; L274-S276 PolarHBondContact O-N 3.05Å; L274-L277 PolarHBondContact O-N 3.3Å; L274-L277 VanDerWaalsContact O-N 3.17Å; L274-L278 WeakPolarHBondContact O-CG 3.39Å; L274-L278 PolarHBondContact O-N 2.7Å; L274-L278 VanDerWaalsContact O-N 3.17Å |
| 275 | D | 41.7 | Very low | 37 | Very low | 118 Ų | 118 | 107.6 Ų | 107.6 | 63% | 0.631 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -65.4 | -30.6 | 175.6 | -87.4 | -5.9 | 0 | 0 | 0 | 112.6 | P279 | D275-P279 VanDerWaalsContact O-CD 3.31Å; D275-P279 WeakPolarHBondContact O-CD 3.12Å |
| 276 | S | 35.4 | Very low | 37.1 | Very low | 95 Ų | 95 | 106.2 Ų | 106.2 | 66% | 0.664 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -77.9 | -22.3 | 175.5 | -57.8 | 0 | 0 | 0 | 0 | 113.3 | Q272 M273 L274 | Q272-S276 PolarHBondContact O-N 2.86Å; Q272-S276 VanDerWaalsContact O-N 3.16Å; Q272-S276 PolarHBondContact O-OG 3.3Å; M273-S276 PolarHBondContact O-N 3.42Å; L274-S276 VanDerWaalsContact C-N 3.27Å; L274-S276 PolarHBondContact O-N 3.05Å |
| 277 | L | 33.9 | Very low | 37 | Very low | 105 Ų | 105 | 107.2 Ų | 107.2 | 55% | 0.55 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -83.4 | -21.9 | 175.3 | -77.3 | 166.4 | 0 | 0 | 0 | 113 | M273 L274 | M273-L277 WeakPolarHBondContact O-CG 3.04Å; M273-L277 PolarHBondContact O-N 2.84Å; M273-L277 VanDerWaalsContact O-N 3.12Å; L274-L277 PolarHBondContact O-N 3.3Å; L274-L277 VanDerWaalsContact O-N 3.17Å |
| 278 | L | 36.9 | Very low | 36.4 | Very low | 126 Ų | 126 | 102.3 Ų | 102.3 | 66% | 0.66 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75 | -17.7 | -173.6 | -79.1 | 167.6 | 0 | 0 | 0 | 117 | L274 | L274-L278 WeakPolarHBondContact O-CG 3.39Å; L274-L278 PolarHBondContact O-N 2.7Å; L274-L278 VanDerWaalsContact O-N 3.17Å |
| 279 | P | 41.7 | Very low | 36.3 | Very low | 111 Ų | 111 | 101.2 Ų | 101.2 | 72% | 0.721 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.4 | -7.6 | 176.1 | -14.9 | 31.7 | 0 | 0 | 0 | 116.5 | D275 | D275-P279 VanDerWaalsContact O-CD 3.31Å; D275-P279 WeakPolarHBondContact O-CD 3.12Å |
| 280 | A | 36.2 | Very low | 36.3 | Very low | 89 Ų | 89 | 101.5 Ų | 101.5 | 74% | 0.736 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.1 | -11.9 | -169.7 | 0 | 0 | 0 | 0 | 0 | 116 | S282 | A280-S282 VanDerWaalsContact C-N 3.33Å; A280-S282 PolarHBondContact O-N 3.19Å |
| 281 | I | 31.5 | Very low | 35.9 | Very low | 120 Ų | 120 | 104.8 Ų | 104.8 | 62% | 0.615 | 61% | 0.605 | S | S | * | * | trans | -97.2 | 61 | 170.5 | 45.5 | 166.1 | 0 | 0 | 0 | 110.5 | S283 | I281-S283 PolarHBondContact O-N 3.43Š| ||
| 282 | S | 34.7 | Very low | 36 | Very low | 121 Ų | 121 | 108.2 Ų | 108.2 | 85% | 0.846 | 61% | 0.611 | S | S | * | * | trans | -65.2 | 71.4 | 139.7 | -164.9 | 0 | 0 | 0 | 0 | 106.3 | A280 | A280-S282 VanDerWaalsContact C-N 3.33Å; A280-S282 PolarHBondContact O-N 3.19Å | ||
| 283 | S | 32.1 | Very low | 36.5 | Very low | 59 Ų | 59 | 104 Ų | 104 | 41% | 0.413 | 60% | 0.598 | S | S | . | * | trans | -82 | 146.4 | -170.4 | -150.3 | 0 | 0 | 0 | 0 | 108.3 | I281 I285 | I281-S283 PolarHBondContact O-N 3.43Å; S283-I285 PolarHBondContact O-N 2.82Å | ||
| 284 | P | 38.5 | Very low | 37 | Very low | 81 Ų | 81 | 102.3 Ų | 102.3 | 53% | 0.526 | 60% | 0.598 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -65.1 | 12 | -164.6 | -17.9 | 31.2 | 0 | 0 | 0 | 116.6 | D286 T287 V288 | P284-D286 VanDerWaalsContact C-N 3.26Å; P284-D286 PolarHBondContact O-N 2.71Å; P284-T287 PolarHBondContact O-N 3.25Å; P284-T287 VanDerWaalsContact O-N 3.11Å; P284-V288 WeakPolarHBondContact O-CG2 2.9Å; P284-V288 PolarHBondContact O-N 2.82Å |
| 285 | I | 32.5 | Very low | 37.6 | Very low | 120 Ų | 120 | 102.2 Ų | 102.2 | 62% | 0.615 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -60.8 | -40 | 179.7 | -62.4 | 173.8 | 0 | 0 | 0 | 109.9 | S283 T287 V288 V289 | S283-I285 PolarHBondContact O-N 2.82Å; I285-T287 VanDerWaalsContact C-N 3.29Å; I285-T287 PolarHBondContact O-N 2.95Å; I285-V288 PolarHBondContact O-N 3.22Å; I285-V289 HydrophobicContact CG2-CG2 4.4Å; I285-V289 WeakPolarHBondContact O-CG2 3.49Å; I285-V289 PolarHBondContact O-N 3.14Å |
| 286 | D | 34.8 | Very low | 38.3 | Very low | 125 Ų | 125 | 101.7 Ų | 101.7 | 67% | 0.668 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -62.8 | -37.2 | 175.4 | -75 | -23.1 | 0 | 0 | 0 | 111.9 | P284 E290 | P284-D286 VanDerWaalsContact C-N 3.26Å; P284-D286 PolarHBondContact O-N 2.71Å; D286-E290 PolarHBondContact O-N 2.92Å |
| 287 | T | 34 | Very low | 39.1 | Very low | 78 Ų | 78 | 101.7 Ų | 101.7 | 48% | 0.479 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -73.1 | -35.5 | 179.3 | -20.7 | 0 | 0 | 0 | 0 | 112.4 | P284 I285 Q291 | P284-T287 PolarHBondContact O-N 3.25Å; P284-T287 VanDerWaalsContact O-N 3.11Å; I285-T287 VanDerWaalsContact C-N 3.29Å; I285-T287 PolarHBondContact O-N 2.95Å; T287-Q291 PolarHBondContact O-N 3.13Å |
| 288 | V | 30.7 | Very low | 40.3 | Very low | 82 Ų | 82 | 102 Ų | 102 | 50% | 0.497 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -73 | -35.2 | 178.5 | -179.5 | 0 | 0 | 0 | 0 | 111.1 | P284 I285 L292 | P284-V288 WeakPolarHBondContact O-CG2 2.9Å; P284-V288 PolarHBondContact O-N 2.82Å; I285-V288 PolarHBondContact O-N 3.22Å; V288-L292 HydrophobicContact CG1-CD1 3.93Å; V288-L292 WeakPolarHBondContact O-CB 3.41Å; V288-L292 WeakPolarHBondContact O-CG 3.38Å; V288-L292 PolarHBondContact O-N 3.06Å; V288-L292 VanDerWaalsContact O-N 3.16Å |
| 289 | V | 37.6 | Very low | 41.3 | Very low | 94 Ų | 94 | 103.5 Ų | 103.5 | 57% | 0.57 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -71.2 | -40 | 176 | 175.3 | 0 | 0 | 0 | 0 | 111.4 | I285 S293 | I285-V289 HydrophobicContact CG2-CG2 4.4Å; I285-V289 WeakPolarHBondContact O-CG2 3.49Å; I285-V289 PolarHBondContact O-N 3.14Å; V289-S293 PolarHBondContact O-N 2.89Å |
| 290 | E | 38.3 | Very low | 42.1 | Very low | 142 Ų | 142 | 104.3 Ų | 104.3 | 66% | 0.664 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -62.5 | -45 | 176.7 | -81.7 | -168.2 | 156.3 | 0 | 0 | 112.3 | D286 S293 A294 | D286-E290 PolarHBondContact O-N 2.92Å; E290-S293 PolarHBondContact O-N 2.69Å; E290-S293 PolarHBondContact O-OG 3.44Å; E290-A294 PolarHBondContact O-N 2.9Å |
| 291 | Q | 33.9 | Very low | 42.9 | Very low | 143 Ų | 143 | 104.2 Ų | 104.2 | 67% | 0.668 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -73.1 | -36.1 | -177.9 | -75.2 | -171.6 | -16.9 | 0 | 0 | 113.9 | T287 S293 | T287-Q291 PolarHBondContact O-N 3.13Å; Q291-S293 PolarHBondContact O-N 3.37Å |
| 292 | L | 37.3 | Very low | 43.9 | Very low | 118 Ų | 118 | 100.3 Ų | 100.3 | 62% | 0.618 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -64.4 | -27.8 | 174.2 | -78 | 168.8 | 0 | 0 | 0 | 111.8 | V288 H296 | V288-L292 HydrophobicContact CG1-CD1 3.93Å; V288-L292 WeakPolarHBondContact O-CB 3.41Å; V288-L292 WeakPolarHBondContact O-CG 3.38Å; V288-L292 PolarHBondContact O-N 3.06Å; V288-L292 VanDerWaalsContact O-N 3.16Å; L292-H296 WeakPolarHBondContact O-CB 3.32Å |
| 293 | S | 51.9 | Low | 45 | Very low | 59 Ų | 59 | 103.4 Ų | 103.4 | 41% | 0.413 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -72.4 | -47.8 | -178.4 | 81.5 | 0 | 0 | 0 | 0 | 112.6 | V289 E290 Q291 I297 | V289-S293 PolarHBondContact O-N 2.89Å; E290-S293 PolarHBondContact O-N 2.69Å; E290-S293 PolarHBondContact O-OG 3.44Å; Q291-S293 PolarHBondContact O-N 3.37Å; S293-I297 VanDerWaalsContact O-CB 3.26Å; S293-I297 WeakPolarHBondContact O-CB 3.4Å; S293-I297 WeakPolarHBondContact O-CD1 3.24Å; S293-I297 WeakPolarHBondContact O-CG1 3.33Å; S293-I297 PolarHBondContact O-N 3.19Å; S293-I297 VanDerWaalsContact O-N 3.17Å |
| 294 | A | 44.2 | Very low | 46 | Very low | 49 Ų | 49 | 104 Ų | 104 | 41% | 0.405 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -72.9 | -47.5 | -171.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | E290 I297 L298 | E290-A294 PolarHBondContact O-N 2.9Å; A294-I297 PolarHBondContact O-N 3.35Å; A294-L298 WeakPolarHBondContact O-CB 3.46Å; A294-L298 VanDerWaalsContact O-CG 3.29Å; A294-L298 WeakPolarHBondContact O-CG 3.37Å; A294-L298 PolarHBondContact O-N 3.27Å |
| 295 | D | 51.5 | Low | 46.4 | Very low | 111 Ų | 111 | 108.5 Ų | 108.5 | 59% | 0.594 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -70.3 | -34.7 | -176.6 | -85.2 | -7.5 | 0 | 0 | 0 | 112.6 | R299 | D295-R299 VanDerWaalsContact O-CB 3.24Å; D295-R299 WeakPolarHBondContact O-CB 3.09Å; D295-R299 PolarHBondContact O-N 2.76Å |
| 296 | H | 57.7 | Low | 47.2 | Very low | 107 Ų | 107 | 113.8 Ų | 113.8 | 50% | 0.495 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -69.2 | -45.3 | 176.5 | -151.9 | 110.2 | 0 | 0 | 0 | 110.7 | L292 L298 R299 E300 | L292-H296 WeakPolarHBondContact O-CB 3.32Å; H296-L298 PolarHBondContact O-N 3.03Å; H296-R299 PolarHBondContact O-N 3.32Å; H296-E300 IonicContact CD2-OE2 3.36Å; H296-E300 WeakPolarHBondContact O-CB 3.3Å; H296-E300 PolarHBondContact O-N 3.1Å |
| 297 | I | 52.2 | Low | 47.8 | Very low | 95 Ų | 95 | 119.2 Ų | 119.2 | 49% | 0.487 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -61.1 | -45.9 | 176.3 | -68.6 | 168.1 | 0 | 0 | 0 | 110.7 | S293 A294 R299 E300 I301 | S293-I297 VanDerWaalsContact O-CB 3.26Å; S293-I297 WeakPolarHBondContact O-CB 3.4Å; S293-I297 WeakPolarHBondContact O-CD1 3.24Å; S293-I297 WeakPolarHBondContact O-CG1 3.33Å; S293-I297 PolarHBondContact O-N 3.19Å; S293-I297 VanDerWaalsContact O-N 3.17Å; A294-I297 PolarHBondContact O-N 3.35Å; I297-R299 VanDerWaalsContact C-N 3.34Å; I297-R299 PolarHBondContact O-N 2.74Å; I297-E300 PolarHBondContact O-N 2.94Å; I297-I301 HydrophobicContact CG2-CD1 3.68Å; I297-I301 HydrophobicContact CG2-CG1 4.4Å; I297-I301 VanDerWaalsContact O-CG1 3.24Å; I297-I301 WeakPolarHBondContact O-CG1 3.33Å; I297-I301 PolarHBondContact O-N 2.86Å |
| 298 | L | 58 | Low | 48.4 | Very low | 112 Ų | 112 | 121.3 Ų | 121.3 | 59% | 0.586 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -64.6 | -37.1 | 178.3 | -73.6 | 173.6 | 0 | 0 | 0 | 112.4 | A294 H296 G302 | A294-L298 WeakPolarHBondContact O-CB 3.46Å; A294-L298 VanDerWaalsContact O-CG 3.29Å; A294-L298 WeakPolarHBondContact O-CG 3.37Å; A294-L298 PolarHBondContact O-N 3.27Å; H296-L298 PolarHBondContact O-N 3.03Å; L298-G302 PolarHBondContact O-N 2.71Å |
| 299 | R | 57.9 | Low | 49.4 | Very low | 158 Ų | 158 | 123.4 Ų | 123.4 | 60% | 0.596 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -66.1 | -39.1 | 175 | -171.2 | -177.4 | -60.6 | 168.3 | 3 | 111.9 | D295 H296 I297 G302 R303 | D295-R299 VanDerWaalsContact O-CB 3.24Å; D295-R299 WeakPolarHBondContact O-CB 3.09Å; D295-R299 PolarHBondContact O-N 2.76Å; H296-R299 PolarHBondContact O-N 3.32Å; I297-R299 VanDerWaalsContact C-N 3.34Å; I297-R299 PolarHBondContact O-N 2.74Å; R299-G302 PolarHBondContact O-N 3.44Å; R299-R303 PolarHBondContact O-N 3.3Å |
| 300 | E | 58.3 | Low | 50 | Low | 127 Ų | 127 | 125 Ų | 125 | 59% | 0.593 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -71.2 | -40.4 | 179.8 | -154 | 145.6 | -154.8 | 0 | 0 | 111.4 | H296 I297 G302 R303 A304 | H296-E300 IonicContact CD2-OE2 3.36Å; H296-E300 WeakPolarHBondContact O-CB 3.3Å; H296-E300 PolarHBondContact O-N 3.1Å; I297-E300 PolarHBondContact O-N 2.94Å; E300-G302 PolarHBondContact O-N 3.18Å; E300-R303 PolarHBondContact O-N 3.35Å; E300-A304 PolarHBondContact O-N 2.78Å; E300-A304 VanDerWaalsContact O-N 3.08Å |
| 301 | I | 54 | Low | 50.7 | Low | 87 Ų | 87 | 124 Ų | 124 | 45% | 0.446 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -63 | -41.1 | 169.9 | -65 | 166.7 | 0 | 0 | 0 | 111.2 | I297 R303 A304 K305 | I297-I301 HydrophobicContact CG2-CD1 3.68Å; I297-I301 HydrophobicContact CG2-CG1 4.4Å; I297-I301 VanDerWaalsContact O-CG1 3.24Å; I297-I301 WeakPolarHBondContact O-CG1 3.33Å; I297-I301 PolarHBondContact O-N 2.86Å; I301-R303 PolarHBondContact O-N 3.33Å; I301-A304 PolarHBondContact O-N 3.15Å; I301-K305 PolarHBondContact O-N 3.35Å |
| 302 | G | 51.6 | Low | 51.8 | Low | 39 Ų | 39 | 122.8 Ų | 122.8 | 40% | 0.402 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -64.4 | -36.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | L298 R299 E300 | L298-G302 PolarHBondContact O-N 2.71Å; R299-G302 PolarHBondContact O-N 3.44Å; E300-G302 PolarHBondContact O-N 3.18Å |
| 303 | R | 59.2 | Low | 52.8 | Low | 186 Ų | 186 | 123.1 Ų | 123.1 | 70% | 0.702 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -67.7 | -40.8 | 172.2 | -85.2 | -176.3 | 172.6 | 162.9 | -3.1 | 112.1 | R299 E300 I301 K305 R306 | R299-R303 PolarHBondContact O-N 3.3Å; E300-R303 PolarHBondContact O-N 3.35Å; I301-R303 PolarHBondContact O-N 3.33Å; R303-K305 VanDerWaalsContact C-N 3.26Å; R303-K305 PolarHBondContact O-N 2.74Å; R303-R306 PolarHBondContact O-N 2.91Å |
| 304 | A | 52.3 | Low | 52.8 | Low | 70 Ų | 70 | 127.7 Ų | 127.7 | 58% | 0.579 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -65.4 | -25.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | E300 I301 | E300-A304 PolarHBondContact O-N 2.78Å; E300-A304 VanDerWaalsContact O-N 3.08Å; I301-A304 PolarHBondContact O-N 3.15Å |
| 305 | K | 46.6 | Very low | 53.5 | Low | 176 Ų | 176 | 133.8 Ų | 133.8 | 77% | 0.765 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.6 | -6.4 | 177.4 | -86.3 | -172.7 | 176.3 | -179.1 | 0 | 115.7 | I301 R303 | I301-K305 PolarHBondContact O-N 3.35Å; R303-K305 VanDerWaalsContact C-N 3.26Å; R303-K305 PolarHBondContact O-N 2.74Å |
| 306 | R | 49.5 | Very low | 53.6 | Low | 232 Ų | 232 | 135.7 Ų | 135.7 | 88% | 0.875 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.1 | 4.3 | 177.2 | -73.5 | -164.7 | -175.9 | -153.3 | 2.5 | 113.8 | R303 | R303-R306 PolarHBondContact O-N 2.91Š|
| 307 | F | 46.5 | Very low | 53.3 | Low | 239 Ų | 239 | 138.3 Ų | 138.3 | 100% | 1.048 | 64% | 0.644 | S | S | * | * | trans | -112.5 | 0 | 167.7 | -64.5 | -80.9 | 0 | 0 | 0 | 109 |
Retrieved 307 of 307 residues in 215.1 ms
(Link to these results)