| 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 | 32.5 | Very low | 36 | Very low | 244 Ų | 244 | 128.5 Ų | 128.5 | 100% | 1.202 | 69% | 0.687 | S | S | * | * | 0 | 153.1 | 0 | -72.9 | 173.5 | 170.8 | 0 | 0 | 107.3 | E3 | M1-E3 PolarHBondContact O-N 3.01Š| |||
| 2 | T | 32 | Very low | 36.5 | Very low | 133 Ų | 133 | 123.6 Ų | 123.6 | 82% | 0.816 | 66% | 0.659 | S | S | * | * | trans | -80.8 | 115.1 | -168.1 | 47.3 | 0 | 0 | 0 | 0 | 112.1 | S4 | T2-S4 PolarHBondContact O-N 2.97Š| ||
| 3 | E | 31.2 | Very low | 36.7 | Very low | 189 Ų | 189 | 121.2 Ų | 121.2 | 88% | 0.883 | 65% | 0.646 | S | S | * | * | trans | -74 | 117 | 165 | -68.2 | -178.3 | 128.6 | 0 | 0 | 109.2 | M1 T5 | M1-E3 PolarHBondContact O-N 3.01Å; E3-T5 PolarHBondContact O-N 2.95Å | ||
| 4 | S | 35.1 | Very low | 37 | Very low | 95 Ų | 95 | 118 Ų | 118 | 66% | 0.664 | 63% | 0.63 | S | S | * | * | trans | -88.8 | 98.2 | 178.3 | -60 | 0 | 0 | 0 | 0 | 109.7 | T2 I6 | T2-S4 PolarHBondContact O-N 2.97Å; S4-I6 VanDerWaalsContact C-N 3.3Å; S4-I6 PolarHBondContact O-N 2.91Å | ||
| 5 | T | 34.6 | Very low | 37.1 | Very low | 141 Ų | 141 | 119.2 Ų | 119.2 | 87% | 0.865 | 63% | 0.627 | S | S | * | * | trans | -68.2 | 85.6 | 171 | 35.2 | 0 | 0 | 0 | 0 | 110.7 | E3 S7 | E3-T5 PolarHBondContact O-N 2.95Å; T5-S7 PolarHBondContact O-N 3.06Å; T5-S7 VanDerWaalsContact O-N 3.09Å | ||
| 6 | I | 36.8 | Very low | 37.2 | Very low | 114 Ų | 114 | 115.5 Ų | 115.5 | 59% | 0.585 | 61% | 0.611 | S | S | * | * | trans | -69.9 | 104.2 | 173.6 | -60.9 | 172.8 | 0 | 0 | 0 | 108.1 | S4 N10 L11 | S4-I6 VanDerWaalsContact C-N 3.3Å; S4-I6 PolarHBondContact O-N 2.91Å; I6-N10 HydrophobicContact CG2-CB 4.29Å; I6-L11 HydrophobicContact CG2-CD1 4.28Å; I6-L11 HydrophobicContact CG2-CG 4.09Å | ||
| 7 | S | 36.4 | Very low | 37.3 | Very low | 53 Ų | 53 | 117.4 Ų | 117.4 | 37% | 0.371 | 62% | 0.616 | S | S | . | * | trans | -62.1 | 148.9 | 172.8 | 55.3 | 0 | 0 | 0 | 0 | 111.2 | T5 T9 N10 | T5-S7 PolarHBondContact O-N 3.06Å; T5-S7 VanDerWaalsContact O-N 3.09Å; S7-T9 PolarHBondContact O-N 3.24Å; S7-T9 VanDerWaalsContact O-N 3.12Å; S7-T9 PolarHBondContact OG-OG1 2.93Å; S7-N10 PolarHBondContact O-N 2.86Å; S7-N10 VanDerWaalsContact OG-CG 3.27Å; S7-N10 PolarHBondContact OG-ND2 3.12Å; S7-N10 PolarHBondContact OG-OD1 3.34Å | ||
| 8 | Y | 35.9 | Very low | 37.7 | Very low | 182 Ų | 182 | 119.2 Ų | 119.2 | 71% | 0.714 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -57.5 | -28.7 | -178.8 | -118.1 | -96.8 | 0 | 0 | 0 | 113.2 | L11 | Y8-L11 PolarHBondContact O-N 3.5Å |
| 9 | T | 42.1 | Very low | 37.6 | Very low | 80 Ų | 80 | 118.2 Ų | 118.2 | 49% | 0.491 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -54.2 | -53 | 172.4 | 54.6 | 0 | 0 | 0 | 0 | 111.7 | S7 L11 I12 D13 | S7-T9 PolarHBondContact O-N 3.24Å; S7-T9 VanDerWaalsContact O-N 3.12Å; S7-T9 PolarHBondContact OG-OG1 2.93Å; T9-L11 PolarHBondContact O-N 2.9Å; T9-L11 VanDerWaalsContact O-N 3.1Å; T9-I12 PolarHBondContact O-N 3.07Å; T9-D13 PolarHBondContact O-N 2.83Å; T9-D13 VanDerWaalsContact O-N 3.12Å |
| 10 | N | 39.3 | Very low | 37.5 | Very low | 75 Ų | 75 | 114.6 Ų | 114.6 | 40% | 0.401 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -66.8 | -22.6 | -170.2 | -61 | -0.2 | 0 | 0 | 0 | 112.3 | I6 S7 N14 | I6-N10 HydrophobicContact CG2-CB 4.29Å; S7-N10 PolarHBondContact O-N 2.86Å; S7-N10 VanDerWaalsContact OG-CG 3.27Å; S7-N10 PolarHBondContact OG-ND2 3.12Å; S7-N10 PolarHBondContact OG-OD1 3.34Å; N10-N14 VanDerWaalsContact O-CB 3.31Å; N10-N14 WeakPolarHBondContact O-CB 3.42Å; N10-N14 PolarHBondContact O-N 3.09Å; N10-N14 PolarHBondContact O-ND2 2.79Å |
| 11 | L | 40.6 | Very low | 37.5 | Very low | 108 Ų | 108 | 117.7 Ų | 117.7 | 57% | 0.565 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -76.1 | -30.2 | 174.2 | -92.9 | 164.3 | 0 | 0 | 0 | 113.1 | I6 Y8 T9 | I6-L11 HydrophobicContact CG2-CD1 4.28Å; I6-L11 HydrophobicContact CG2-CG 4.09Å; Y8-L11 PolarHBondContact O-N 3.5Å; T9-L11 PolarHBondContact O-N 2.9Å; T9-L11 VanDerWaalsContact O-N 3.1Å |
| 12 | I | 42.1 | Very low | 37.6 | Very low | 69 Ų | 69 | 112.3 Ų | 112.3 | 35% | 0.354 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -77.4 | -49.1 | 176.4 | -62.3 | 174 | 0 | 0 | 0 | 109.2 | T9 N14 F15 V16 | T9-I12 PolarHBondContact O-N 3.07Å; I12-N14 PolarHBondContact O-N 2.83Å; I12-F15 WeakPolarHBondContact O-CB 3.43Å; I12-F15 PolarHBondContact O-N 3.14Å; I12-V16 HydrophobicContact CG2-CG2 4.48Å; I12-V16 PolarHBondContact O-N 3.44Å |
| 13 | D | 38.8 | Very low | 37.9 | Very low | 92 Ų | 92 | 107.5 Ų | 107.5 | 49% | 0.492 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -58.2 | -47.7 | -178.9 | -58.8 | -38.9 | 0 | 0 | 0 | 111.6 | T9 F15 V16 E17 | T9-D13 PolarHBondContact O-N 2.83Å; T9-D13 VanDerWaalsContact O-N 3.12Å; D13-F15 PolarHBondContact O-N 3.03Å; D13-F15 VanDerWaalsContact O-N 3.1Å; D13-V16 PolarHBondContact O-N 3.39Å; D13-E17 PolarHBondContact O-N 3.44Å; D13-E17 VanDerWaalsContact O-N 3.11Å |
| 14 | N | 40.1 | Very low | 38.1 | Very low | 77 Ų | 77 | 102.6 Ų | 102.6 | 41% | 0.412 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -61.2 | -19.3 | 175.9 | -93.5 | -91.1 | 0 | 0 | 0 | 114.4 | N10 I12 K18 | N10-N14 VanDerWaalsContact O-CB 3.31Å; N10-N14 WeakPolarHBondContact O-CB 3.42Å; N10-N14 PolarHBondContact O-N 3.09Å; N10-N14 PolarHBondContact O-ND2 2.79Å; I12-N14 PolarHBondContact O-N 2.83Å; N14-K18 WeakPolarHBondContact O-CD 3.19Å; N14-K18 PolarHBondContact OD1-NZ 2.85Å |
| 15 | F | 39.8 | Very low | 38.2 | Very low | 136 Ų | 136 | 102.3 Ų | 102.3 | 60% | 0.596 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -91.8 | -34.3 | 179.1 | -163.5 | -94.1 | 0 | 0 | 0 | 111.9 | I12 D13 N19 | I12-F15 WeakPolarHBondContact O-CB 3.43Å; I12-F15 PolarHBondContact O-N 3.14Å; D13-F15 PolarHBondContact O-N 3.03Å; D13-F15 VanDerWaalsContact O-N 3.1Å; F15-N19 PolarHBondContact O-N 2.89Å; F15-N19 PolarHBondContact O-ND2 3.03Å |
| 16 | V | 37.9 | Very low | 38.7 | Very low | 60 Ų | 60 | 97.9 Ų | 97.9 | 36% | 0.364 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.9 | -49.9 | 174.8 | 175.4 | 0 | 0 | 0 | 0 | 110.6 | I12 D13 K18 N19 V20 | I12-V16 HydrophobicContact CG2-CG2 4.48Å; I12-V16 PolarHBondContact O-N 3.44Å; D13-V16 PolarHBondContact O-N 3.39Å; V16-K18 PolarHBondContact O-N 2.81Å; V16-N19 PolarHBondContact O-N 3.37Å; V16-V20 PolarHBondContact O-N 2.89Å |
| 17 | E | 39.4 | Very low | 39 | Very low | 148 Ų | 148 | 97.3 Ų | 97.3 | 69% | 0.692 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -55.7 | -29 | 180 | -73.4 | -169.2 | 142.6 | 0 | 0 | 113.7 | D13 | D13-E17 PolarHBondContact O-N 3.44Å; D13-E17 VanDerWaalsContact O-N 3.11Å |
| 18 | K | 44 | Very low | 39.3 | Very low | 150 Ų | 150 | 100.6 Ų | 100.6 | 65% | 0.652 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -96.6 | -11.3 | -173.5 | -69 | 177.7 | -174.5 | 155.3 | 0 | 115 | N14 V16 | N14-K18 WeakPolarHBondContact O-CD 3.19Å; N14-K18 PolarHBondContact OD1-NZ 2.85Å; V16-K18 PolarHBondContact O-N 2.81Å |
| 19 | N | 35.6 | Very low | 39.7 | Very low | 100 Ų | 100 | 98.4 Ų | 98.4 | 54% | 0.535 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -127.6 | -18 | -170.4 | -70.2 | -71.9 | 0 | 0 | 0 | 116 | F15 V16 | F15-N19 PolarHBondContact O-N 2.89Å; F15-N19 PolarHBondContact O-ND2 3.03Å; V16-N19 PolarHBondContact O-N 3.37Å |
| 20 | V | 35.9 | Very low | 39.7 | Very low | 46 Ų | 46 | 100.9 Ų | 100.9 | 28% | 0.279 | 53% | 0.525 | S | S | . | . | trans | -140.3 | 101.5 | -178.9 | -158.8 | 0 | 0 | 0 | 0 | 113.3 | V16 S23 | V16-V20 PolarHBondContact O-N 2.89Å; V20-S23 WeakPolarHBondContact CB-OG 3.41Å; V20-S23 WeakPolarHBondContact CG1-OG 3.37Å | ||
| 21 | H | 37.3 | Very low | 40 | Very low | 180 Ų | 180 | 107.3 Ų | 107.3 | 83% | 0.833 | 55% | 0.552 | S | S | * | * | S | Bend | trans | -70.3 | 127.9 | 154.4 | -61.7 | -20.6 | 0 | 0 | 0 | 108.8 | ||
| 22 | S | 34.6 | Very low | 40.4 | Very low | 131 Ų | 131 | 105.1 Ų | 105.1 | 92% | 0.916 | 55% | 0.55 | S | S | * | . | S | Bend | trans | 90.8 | -0.2 | 171.1 | 79.2 | 0 | 0 | 0 | 0 | 121.9 | ||
| 23 | S | 37.7 | Very low | 40.4 | Very low | 32 Ų | 32 | 107.8 Ų | 107.8 | 22% | 0.224 | 57% | 0.565 | C | S | . | * | trans | -89 | 126.1 | 175.3 | 58.2 | 0 | 0 | 0 | 0 | 113.4 | V20 | V20-S23 WeakPolarHBondContact CB-OG 3.41Å; V20-S23 WeakPolarHBondContact CG1-OG 3.37Å | ||
| 24 | S | 35.4 | Very low | 40.9 | Very low | 85 Ų | 85 | 108 Ų | 108 | 59% | 0.594 | 56% | 0.562 | S | S | * | * | trans | -81.3 | 131.7 | 167.8 | 53.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 25 | L | 39 | Very low | 41.1 | Very low | 90 Ų | 90 | 104.6 Ų | 104.6 | 47% | 0.471 | 55% | 0.545 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 134.7 | 169.5 | -173.6 | 70.8 | 0 | 0 | 0 | 108.6 | Y37 | L25-Y37 HydrophobicContact CD1-CD1 4.21Å; L25-Y37 HydrophobicContact CD2-CD1 4.32Å; L25-Y37 HydrophobicContact CG-CD1 4.48Å |
| 26 | S | 43.2 | Very low | 40.9 | Very low | 47 Ų | 47 | 99.8 Ų | 99.8 | 33% | 0.329 | 52% | 0.524 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 121.5 | 170.8 | 57.1 | 0 | 0 | 0 | 0 | 110.3 | Q38 | S26-Q38 PolarHBondContact N-O 2.94Å; S26-Q38 PolarHBondContact O-N 3.26Å |
| 27 | E | 43.4 | Very low | 41.2 | Very low | 103 Ų | 103 | 99.7 Ų | 99.7 | 48% | 0.481 | 52% | 0.518 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 122.9 | 175.3 | -173.3 | -175.1 | -140.2 | 0 | 0 | 109.4 | K29 V35 Y37 | E27-K29 HydrophobicContact CG-CG 4.49Å; E27-K29 WeakPolarHBondContact OE1-CE 3.35Å; E27-K29 IonicContact OE1-NZ 2.73Å; E27-K29 PolarHBondContact OE1-NZ 3.33Å; E27-K29 IonicContact OE2-NZ 2.86Å; E27-K29 PolarHBondContact OE2-NZ 3.34Å; E27-V35 HydrophobicContact CG-CG1 3.86Å; E27-Y37 HydrophobicContact CG-CE1 4.33Å |
| 28 | F | 43.1 | Very low | 41.2 | Very low | 122 Ų | 122 | 95.3 Ų | 95.3 | 54% | 0.535 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 134.1 | 169.6 | -73.6 | -86.1 | 0 | 0 | 0 | 110.2 | E36 | F28-E36 PolarHBondContact N-O 3.1Å; F28-E36 VanDerWaalsContact N-O 3.17Å; F28-E36 PolarHBondContact O-N 3.28Å; F28-E36 VanDerWaalsContact O-N 3.08Å |
| 29 | K | 44.5 | Very low | 41.2 | Very low | 136 Ų | 136 | 91.1 Ų | 91.1 | 59% | 0.591 | 48% | 0.481 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 118.7 | 177.7 | -67.6 | 179.2 | 174.9 | 147 | 0 | 109.3 | E27 V35 | E27-K29 HydrophobicContact CG-CG 4.49Å; E27-K29 WeakPolarHBondContact OE1-CE 3.35Å; E27-K29 IonicContact OE1-NZ 2.73Å; E27-K29 PolarHBondContact OE1-NZ 3.33Å; E27-K29 IonicContact OE2-NZ 2.86Å; E27-K29 PolarHBondContact OE2-NZ 3.34Å; K29-V35 HydrophobicContact CG-CG2 4.48Å |
| 30 | D | 41.8 | Very low | 41.6 | Very low | 131 Ų | 131 | 92 Ų | 92 | 70% | 0.701 | 48% | 0.48 | S | S | * | . | trans | -89.2 | 165.7 | 173 | -119.7 | -6.3 | 0 | 0 | 0 | 110.6 | A32 | D30-A32 PolarHBondContact O-N 3.38Š| ||
| 31 | E | 45.2 | Very low | 42.3 | Very low | 210 Ų | 210 | 95 Ų | 95 | 98% | 0.981 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | 20.3 | -179.1 | -60.8 | -170.2 | 130.3 | 0 | 0 | 115.6 | ||
| 32 | A | 49.6 | Very low | 42.6 | Very low | 62 Ų | 62 | 93.9 Ų | 93.9 | 51% | 0.512 | 49% | 0.489 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -139.3 | 21.9 | -171.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | D30 H34 | D30-A32 PolarHBondContact O-N 3.38Å; A32-H34 PolarHBondContact O-N 3.12Å; A32-H34 VanDerWaalsContact O-N 3.12Å; A32-H34 PolarHBondContact O-ND1 3.47Å |
| 33 | D | 42.1 | Very low | 43.2 | Very low | 126 Ų | 126 | 91 Ų | 91 | 67% | 0.674 | 48% | 0.481 | S | S | * | . | S | Bend | trans | 53 | 31.5 | -178.3 | -62.6 | -43.8 | 0 | 0 | 0 | 114.2 | ||
| 34 | H | 48.7 | Very low | 43.2 | Very low | 95 Ų | 95 | 95.7 Ų | 95.7 | 44% | 0.44 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 123.4 | 168 | -69.5 | 45.1 | 0 | 0 | 0 | 108.2 | A32 | A32-H34 PolarHBondContact O-N 3.12Å; A32-H34 VanDerWaalsContact O-N 3.12Å; A32-H34 PolarHBondContact O-ND1 3.47Å |
| 35 | V | 44.1 | Very low | 43.7 | Very low | 7 Ų | 7 | 95 Ų | 95 | 4% | 0.042 | 49% | 0.491 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 112 | 173.9 | -169.5 | 0 | 0 | 0 | 0 | 108.4 | E27 K29 Y37 C50 | E27-V35 HydrophobicContact CG-CG1 3.86Å; K29-V35 HydrophobicContact CG-CG2 4.48Å; V35-Y37 HydrophobicContact CB-CE2 4.2Å; V35-Y37 HydrophobicContact CG1-CD2 4.18Å; V35-Y37 HydrophobicContact CG1-CE1 4Å; V35-Y37 HydrophobicContact CG1-CE2 3.61Å; V35-C50 PolarHBondContact O-N 3.05Å; V35-C50 VanDerWaalsContact O-N 3.14Å |
| 36 | E | 37.1 | Very low | 43.9 | Very low | 35 Ų | 35 | 94.5 Ų | 94.5 | 16% | 0.164 | 49% | 0.486 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 123.2 | 169.7 | -169.5 | 179.8 | 122.6 | 0 | 0 | 109 | F28 Q38 Q47 Y49 | F28-E36 PolarHBondContact N-O 3.1Å; F28-E36 VanDerWaalsContact N-O 3.17Å; F28-E36 PolarHBondContact O-N 3.28Å; F28-E36 VanDerWaalsContact O-N 3.08Å; E36-Q38 WeakPolarHBondContact OE1-CG 3.46Å; E36-Q38 PolarHBondContact OE1-NE2 3.48Å; E36-Q47 PolarHBondContact OE1-NE2 3.35Å; E36-Q47 PolarHBondContact OE2-NE2 3.09Å; E36-Y49 HydrophobicContact CB-CD1 4.48Å; E36-Y49 HydrophobicContact CB-CE1 4.24Å; E36-Y49 HydrophobicContact CG-CD1 4.35Å; E36-Y49 HydrophobicContact CG-CE1 3.91Å; E36-Y49 WeakPolarHBondContact OE2-CE1 3.22Å; E36-Y49 PolarHBondContact OE2-OH 3.39Å |
| 37 | Y | 43.5 | Very low | 43.8 | Very low | 58 Ų | 58 | 97.4 Ų | 97.4 | 23% | 0.227 | 50% | 0.495 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 120.3 | 170.6 | -67.2 | -74.8 | 0 | 0 | 0 | 109.4 | L25 E27 V35 F48 C50 | L25-Y37 HydrophobicContact CD1-CD1 4.21Å; L25-Y37 HydrophobicContact CD2-CD1 4.32Å; L25-Y37 HydrophobicContact CG-CD1 4.48Å; E27-Y37 HydrophobicContact CG-CE1 4.33Å; V35-Y37 HydrophobicContact CB-CE2 4.2Å; V35-Y37 HydrophobicContact CG1-CD2 4.18Å; V35-Y37 HydrophobicContact CG1-CE1 4Å; V35-Y37 HydrophobicContact CG1-CE2 3.61Å; Y37-F48 PolarHBondContact N-O 2.98Å; Y37-F48 PolarHBondContact O-N 3.37Å; Y37-C50 HydrophobicContact CD2-CB 4.19Å; Y37-C50 HydrophobicContact CE2-CB 3.91Å |
| 38 | Q | 40 | Very low | 43.9 | Very low | 56 Ų | 56 | 97.2 Ų | 97.2 | 26% | 0.262 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 121.9 | 167.9 | -62 | -169.4 | 6.1 | 0 | 0 | 109.5 | S26 E36 H46 Q47 | S26-Q38 PolarHBondContact N-O 2.94Å; S26-Q38 PolarHBondContact O-N 3.26Å; E36-Q38 WeakPolarHBondContact OE1-CG 3.46Å; E36-Q38 PolarHBondContact OE1-NE2 3.48Å; Q38-H46 WeakPolarHBondContact CA-O 3.49Å; Q38-Q47 HydrophobicContact CG-CG 4.26Å |
| 39 | M | 44.4 | Very low | 43.7 | Very low | 62 Ų | 62 | 98.3 Ų | 98.3 | 31% | 0.305 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 125.1 | 172.1 | -175.7 | 178.6 | 66.3 | 0 | 0 | 109.5 | H46 | M39-H46 PolarHBondContact N-O 3.31Å; M39-H46 VanDerWaalsContact N-O 3.08Å; M39-H46 PolarHBondContact O-N 2.82Å |
| 40 | K | 43.3 | Very low | 43.3 | Very low | 118 Ų | 118 | 95 Ų | 95 | 51% | 0.513 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 128 | 167.8 | -80.9 | -177.5 | 174.6 | 178.1 | 0 | 110.7 | E44 T45 | K40-E44 WeakPolarHBondContact CA-O 3.37Å; K40-T45 WeakPolarHBondContact CE-OG1 3.08Å; K40-T45 HydrophobicContact CG-CG2 4.16Å; K40-T45 WeakPolarHBondContact CG-OG1 3.19Å |
| 41 | K | 51.3 | Low | 42.8 | Very low | 108 Ų | 108 | 96.3 Ų | 96.3 | 47% | 0.47 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 131.6 | 171.9 | -169.8 | 174.8 | -178.5 | 179.5 | 0 | 108.7 | G43 E44 | K41-G43 PolarHBondContact O-N 3.29Å; K41-E44 PolarHBondContact N-O 3.2Å; K41-E44 VanDerWaalsContact N-O 3.07Å; K41-E44 PolarHBondContact O-N 3.13Å |
| 42 | N | 42.2 | Very low | 42.3 | Very low | 157 Ų | 157 | 92.5 Ų | 92.5 | 84% | 0.84 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.3 | 20.9 | 177.7 | -57.4 | 2.4 | 0 | 0 | 0 | 115.8 | ||
| 43 | G | 46.6 | Very low | 41.3 | Very low | 72 Ų | 72 | 96.9 Ų | 96.9 | 74% | 0.742 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95.7 | -21.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | K41 | K41-G43 PolarHBondContact O-N 3.29Š|
| 44 | E | 38.4 | Very low | 40.7 | Very low | 130 Ų | 130 | 97.7 Ų | 97.7 | 61% | 0.607 | 48% | 0.481 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 142.9 | 174.2 | -59.9 | -177.4 | 139.3 | 0 | 0 | 110.3 | K40 K41 | K40-E44 WeakPolarHBondContact CA-O 3.37Å; K41-E44 PolarHBondContact N-O 3.2Å; K41-E44 VanDerWaalsContact N-O 3.07Å; K41-E44 PolarHBondContact O-N 3.13Å |
| 45 | T | 46.3 | Very low | 40 | Very low | 69 Ų | 69 | 100.9 Ų | 100.9 | 42% | 0.423 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 112.6 | -179.2 | -54.4 | 0 | 0 | 0 | 0 | 108.8 | K40 | K40-T45 WeakPolarHBondContact CE-OG1 3.08Å; K40-T45 HydrophobicContact CG-CG2 4.16Å; K40-T45 WeakPolarHBondContact CG-OG1 3.19Å |
| 46 | H | 42.1 | Very low | 39.4 | Very low | 80 Ų | 80 | 104.1 Ų | 104.1 | 37% | 0.37 | 52% | 0.519 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 126.8 | 178.7 | -58.8 | -93.7 | 0 | 0 | 0 | 109.9 | Q38 M39 F48 | Q38-H46 WeakPolarHBondContact CA-O 3.49Å; M39-H46 PolarHBondContact N-O 3.31Å; M39-H46 VanDerWaalsContact N-O 3.08Å; M39-H46 PolarHBondContact O-N 2.82Å; H46-F48 HydrophobicContact CB-CD2 4.3Å; H46-F48 HydrophobicContact CB-CE2 3.46Å; H46-F48 VanDerWaalsContact CB-CE2 3.46Å; H46-F48 HydrophobicContact CB-CZ 3.75Å |
| 47 | Q | 41.1 | Very low | 39.2 | Very low | 109 Ų | 109 | 107.4 Ų | 107.4 | 51% | 0.509 | 54% | 0.541 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 130.9 | 172 | -63.9 | -179.7 | -82.2 | 0 | 0 | 109.5 | E36 Q38 | E36-Q47 PolarHBondContact OE1-NE2 3.35Å; E36-Q47 PolarHBondContact OE2-NE2 3.09Å; Q38-Q47 HydrophobicContact CG-CG 4.26Å |
| 48 | F | 45.5 | Very low | 38.7 | Very low | 99 Ų | 99 | 111.1 Ų | 111.1 | 43% | 0.434 | 56% | 0.564 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -126.6 | 128.5 | 174 | -59 | -83.5 | 0 | 0 | 0 | 110.4 | Y37 H46 | Y37-F48 PolarHBondContact N-O 2.98Å; Y37-F48 PolarHBondContact O-N 3.37Å; H46-F48 HydrophobicContact CB-CD2 4.3Å; H46-F48 HydrophobicContact CB-CE2 3.46Å; H46-F48 VanDerWaalsContact CB-CE2 3.46Å; H46-F48 HydrophobicContact CB-CZ 3.75Å |
| 49 | Y | 38.9 | Very low | 38.4 | Very low | 145 Ų | 145 | 116 Ų | 116 | 57% | 0.569 | 59% | 0.592 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -93.5 | 115.3 | 174.2 | -66.8 | -66.2 | 0 | 0 | 0 | 110.2 | E36 | E36-Y49 HydrophobicContact CB-CD1 4.48Å; E36-Y49 HydrophobicContact CB-CE1 4.24Å; E36-Y49 HydrophobicContact CG-CD1 4.35Å; E36-Y49 HydrophobicContact CG-CE1 3.91Å; E36-Y49 WeakPolarHBondContact OE2-CE1 3.22Å; E36-Y49 PolarHBondContact OE2-OH 3.39Å |
| 50 | C | 36.8 | Very low | 37.8 | Very low | 65 Ų | 65 | 117.3 Ų | 117.3 | 44% | 0.439 | 61% | 0.607 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -95.4 | 122 | 170.2 | -165.4 | 0 | 0 | 0 | 0 | 109.8 | V35 Y37 Q52 | V35-C50 PolarHBondContact O-N 3.05Å; V35-C50 VanDerWaalsContact O-N 3.14Å; Y37-C50 HydrophobicContact CD2-CB 4.19Å; Y37-C50 HydrophobicContact CE2-CB 3.91Å; C50-Q52 PolarHBondContact O-N 2.83Å |
| 51 | F | 31.3 | Very low | 37.2 | Very low | 160 Ų | 160 | 115.5 Ų | 115.5 | 70% | 0.702 | 61% | 0.61 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -85.5 | 98.8 | 171.1 | -65.3 | -75.8 | 0 | 0 | 0 | 109.3 | M53 | F51-M53 PolarHBondContact O-N 2.96Å; F51-M53 VanDerWaalsContact O-N 3.17Å |
| 52 | Q | 34 | Very low | 36.2 | Very low | 130 Ų | 130 | 116.5 Ų | 116.5 | 61% | 0.607 | 63% | 0.63 | S | S | * | * | trans | -67.2 | 111.7 | 170.3 | -173.6 | 166.8 | -26.3 | 0 | 0 | 108.8 | C50 | C50-Q52 PolarHBondContact O-N 2.83Š| ||
| 53 | M | 29.8 | Very low | 35.7 | Very low | 154 Ų | 154 | 117.7 Ų | 117.7 | 76% | 0.759 | 63% | 0.631 | S | S | * | * | trans | -74.1 | 133.5 | 168.4 | -67.8 | -167.2 | -62.7 | 0 | 0 | 108.6 | F51 E55 | F51-M53 PolarHBondContact O-N 2.96Å; F51-M53 VanDerWaalsContact O-N 3.17Å; M53-E55 PolarHBondContact O-N 3.3Å | ||
| 54 | E | 30 | Very low | 35 | Very low | 143 Ų | 143 | 120 Ų | 120 | 67% | 0.668 | 63% | 0.625 | S | S | * | * | trans | -59.6 | 133.8 | 171.9 | -65.1 | 179.2 | -170.1 | 0 | 0 | 110.5 | S56 V57 | E54-S56 WeakPolarHBondContact CB-OG 3.31Å; E54-S56 PolarHBondContact O-N 3.42Å; E54-S56 PolarHBondContact OE2-OG 3.38Å; E54-V57 PolarHBondContact O-N 3.27Å | ||
| 55 | E | 33.1 | Very low | 34.7 | Very low | 161 Ų | 161 | 118.3 Ų | 118.3 | 75% | 0.752 | 62% | 0.624 | S | S | * | * | G | 310 helix | trans | -61.5 | -12.7 | 174.7 | -66.7 | 178.2 | 114.6 | 0 | 0 | 113 | M53 V57 L58 | M53-E55 PolarHBondContact O-N 3.3Å; E55-V57 PolarHBondContact O-N 2.69Å; E55-V57 VanDerWaalsContact O-N 3.12Å; E55-L58 PolarHBondContact O-N 2.77Å |
| 56 | S | 31.6 | Very low | 34.2 | Very low | 76 Ų | 76 | 121 Ų | 121 | 53% | 0.531 | 64% | 0.64 | S | S | . | * | G | 310 helix | trans | -55.4 | -24 | 174.4 | 64.4 | 0 | 0 | 0 | 0 | 113.9 | E54 | E54-S56 WeakPolarHBondContact CB-OG 3.31Å; E54-S56 PolarHBondContact O-N 3.42Å; E54-S56 PolarHBondContact OE2-OG 3.38Å |
| 57 | V | 33.9 | Very low | 33.9 | Very low | 103 Ų | 103 | 123.1 Ų | 123.1 | 62% | 0.624 | 65% | 0.654 | S | S | * | * | G | 310 helix | trans | -89.9 | -14.9 | -176.8 | -171 | 0 | 0 | 0 | 0 | 113.1 | E54 E55 S60 | E54-V57 PolarHBondContact O-N 3.27Å; E55-V57 PolarHBondContact O-N 2.69Å; E55-V57 VanDerWaalsContact O-N 3.12Å; V57-S60 PolarHBondContact O-OG 3.29Å |
| 58 | L | 32.5 | Very low | 33.7 | Very low | 136 Ų | 136 | 122.5 Ų | 122.5 | 71% | 0.712 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.5 | -17.5 | -172.8 | -71 | 170.8 | 0 | 0 | 0 | 114.7 | E55 S60 | E55-L58 PolarHBondContact O-N 2.77Å; L58-S60 VanDerWaalsContact C-N 3.32Å; L58-S60 PolarHBondContact O-N 2.83Å |
| 59 | N | 32.7 | Very low | 33.1 | Very low | 158 Ų | 158 | 123.1 Ų | 123.1 | 85% | 0.845 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.5 | 24.4 | -176.7 | -78 | -33.1 | 0 | 0 | 0 | 114.5 | ||
| 60 | S | 32.2 | Very low | 32.8 | Very low | 91 Ų | 91 | 119 Ų | 119 | 64% | 0.636 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.4 | 15.9 | -171.7 | 55.4 | 0 | 0 | 0 | 0 | 116.1 | V57 L58 | V57-S60 PolarHBondContact O-OG 3.29Å; L58-S60 VanDerWaalsContact C-N 3.32Å; L58-S60 PolarHBondContact O-N 2.83Å |
| 61 | S | 30.4 | Very low | 32.6 | Very low | 80 Ų | 80 | 122 Ų | 122 | 56% | 0.559 | 66% | 0.659 | S | S | * | * | trans | -147.1 | 75.8 | 170.3 | -74.9 | 0 | 0 | 0 | 0 | 112.3 | E63 | S61-E63 PolarHBondContact O-N 2.96Š| ||
| 62 | S | 30.8 | Very low | 32.7 | Very low | 128 Ų | 128 | 121.6 Ų | 121.6 | 90% | 0.895 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.5 | 51.4 | -179.4 | 60.1 | 0 | 0 | 0 | 0 | 114 | ||
| 63 | E | 32.2 | Very low | 32.7 | Very low | 183 Ų | 183 | 119.7 Ų | 119.7 | 86% | 0.855 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -155.1 | -6.5 | -178.9 | -129.1 | 163.4 | -140.1 | 0 | 0 | 115.5 | S61 T65 | S61-E63 PolarHBondContact O-N 2.96Å; E63-T65 PolarHBondContact O-N 3.09Å |
| 64 | L | 31.6 | Very low | 33 | Very low | 121 Ų | 121 | 118.4 Ų | 118.4 | 63% | 0.634 | 64% | 0.639 | S | S | * | * | trans | -78.3 | 117.8 | -177.4 | -65.8 | 170.9 | 0 | 0 | 0 | 111.6 | ||||
| 65 | T | 32.4 | Very low | 33 | Very low | 94 Ų | 94 | 117.5 Ų | 117.5 | 58% | 0.577 | 64% | 0.637 | S | S | * | * | trans | -69.1 | 150.4 | -170.1 | 65.4 | 0 | 0 | 0 | 0 | 113.8 | E63 N67 Q68 | E63-T65 PolarHBondContact O-N 3.09Å; T65-N67 PolarHBondContact O-N 3.48Å; T65-Q68 PolarHBondContact O-N 2.97Å; T65-Q68 VanDerWaalsContact O-N 3.14Å | ||
| 66 | V | 35.8 | Very low | 32.9 | Very low | 126 Ų | 126 | 114.4 Ų | 114.4 | 76% | 0.764 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -50.8 | -26.5 | -171.8 | 177.4 | 0 | 0 | 0 | 0 | 114.5 | ||
| 67 | N | 36 | Very low | 32.9 | Very low | 123 Ų | 123 | 116.8 Ų | 116.8 | 66% | 0.658 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.6 | -36.7 | -178.7 | -72.2 | -7.9 | 0 | 0 | 0 | 113.7 | T65 N69 S70 | T65-N67 PolarHBondContact O-N 3.48Å; N67-N69 VanDerWaalsContact C-N 3.3Å; N67-N69 PolarHBondContact O-N 3.28Å; N67-S70 VanDerWaalsContact O-CB 3.31Å; N67-S70 WeakPolarHBondContact O-CB 3.36Å; N67-S70 PolarHBondContact O-N 3.43Å; N67-S70 PolarHBondContact O-OG 2.99Å |
| 68 | Q | 35.5 | Very low | 32.7 | Very low | 97 Ų | 97 | 114.8 Ų | 114.8 | 45% | 0.453 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -68.4 | -28.9 | -173.3 | -71.5 | -179.1 | -19 | 0 | 0 | 113.1 | T65 S70 | T65-Q68 PolarHBondContact O-N 2.97Å; T65-Q68 VanDerWaalsContact O-N 3.14Å; Q68-S70 PolarHBondContact O-N 3.47Å |
| 69 | N | 33.4 | Very low | 32.7 | Very low | 112 Ų | 112 | 113.8 Ų | 113.8 | 60% | 0.599 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -68.7 | -21.3 | 173.2 | -70.2 | -27.3 | 0 | 0 | 0 | 112.6 | N67 L73 | N67-N69 VanDerWaalsContact C-N 3.3Å; N67-N69 PolarHBondContact O-N 3.28Å; N69-L73 WeakPolarHBondContact O-CG 3.29Å; N69-L73 PolarHBondContact O-N 3.29Å |
| 70 | S | 33.5 | Very low | 32.7 | Very low | 58 Ų | 58 | 113.4 Ų | 113.4 | 41% | 0.406 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -74.3 | -36.9 | -178.4 | 77.9 | 0 | 0 | 0 | 0 | 113 | N67 Q68 L73 Q74 | N67-S70 VanDerWaalsContact O-CB 3.31Å; N67-S70 WeakPolarHBondContact O-CB 3.36Å; N67-S70 PolarHBondContact O-N 3.43Å; N67-S70 PolarHBondContact O-OG 2.99Å; Q68-S70 PolarHBondContact O-N 3.47Å; S70-L73 CarbonylContact O-C 3.58Å; S70-L73 PolarHBondContact O-N 3.26Å; S70-Q74 PolarHBondContact O-N 3Å |
| 71 | E | 33.2 | Very low | 32.8 | Very low | 129 Ų | 129 | 114.3 Ų | 114.3 | 60% | 0.603 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -69.2 | -40.7 | 179.7 | -62.3 | -176.3 | 142.5 | 0 | 0 | 111.2 | L73 Q74 M75 | E71-L73 VanDerWaalsContact C-N 3.29Å; E71-L73 PolarHBondContact O-N 3.49Å; E71-Q74 WeakPolarHBondContact O-CA 3.36Å; E71-Q74 WeakPolarHBondContact O-CB 3.34Å; E71-Q74 PolarHBondContact O-N 3.03Å; E71-M75 PolarHBondContact O-N 3.13Å |
| 72 | Y | 31.5 | Very low | 32.9 | Very low | 150 Ų | 150 | 117.4 Ų | 117.4 | 59% | 0.588 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -65.2 | -32.2 | 175 | -125.5 | -88.6 | 0 | 0 | 0 | 112.6 | N76 | Y72-N76 PolarHBondContact O-ND2 2.94Å |
| 73 | L | 34.9 | Very low | 33 | Very low | 91 Ų | 91 | 121.8 Ų | 121.8 | 48% | 0.476 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -76.5 | -20.7 | 170.1 | -75 | 168 | 0 | 0 | 0 | 113.1 | N69 S70 E71 K77 | N69-L73 WeakPolarHBondContact O-CG 3.29Å; N69-L73 PolarHBondContact O-N 3.29Å; S70-L73 CarbonylContact O-C 3.58Å; S70-L73 PolarHBondContact O-N 3.26Å; E71-L73 VanDerWaalsContact C-N 3.29Å; E71-L73 PolarHBondContact O-N 3.49Å; L73-K77 WeakPolarHBondContact O-CD 3.32Å; L73-K77 VanDerWaalsContact O-CG 3.3Å; L73-K77 WeakPolarHBondContact O-CG 3.45Å |
| 74 | Q | 36.6 | Very low | 32.8 | Very low | 126 Ų | 126 | 119.6 Ų | 119.6 | 59% | 0.589 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -80.2 | -41.3 | 174.5 | -99.7 | 176.5 | -20.6 | 0 | 0 | 112.8 | S70 E71 N76 K77 S78 | S70-Q74 PolarHBondContact O-N 3Å; E71-Q74 WeakPolarHBondContact O-CA 3.36Å; E71-Q74 WeakPolarHBondContact O-CB 3.34Å; E71-Q74 PolarHBondContact O-N 3.03Å; Q74-N76 VanDerWaalsContact C-N 3.3Å; Q74-N76 PolarHBondContact O-N 3.42Å; Q74-K77 WeakPolarHBondContact O-CA 3.39Å; Q74-K77 WeakPolarHBondContact O-CB 3.35Å; Q74-K77 PolarHBondContact O-N 3.03Å; Q74-S78 PolarHBondContact O-N 2.95Å; Q74-S78 PolarHBondContact O-OG 3.48Å |
| 75 | M | 29.7 | Very low | 32.8 | Very low | 125 Ų | 125 | 125.2 Ų | 125.2 | 62% | 0.616 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -58.9 | -39.8 | 176.7 | -76.8 | -173 | 68.8 | 0 | 0 | 112.8 | E71 K77 S78 I79 | E71-M75 PolarHBondContact O-N 3.13Å; M75-K77 VanDerWaalsContact C-N 3.33Å; M75-S78 PolarHBondContact O-N 3.1Å; M75-S78 PolarHBondContact O-OG 2.8Å; M75-I79 WeakPolarHBondContact O-CG1 3.12Å; M75-I79 PolarHBondContact O-N 3.34Å |
| 76 | N | 30.1 | Very low | 32.5 | Very low | 95 Ų | 95 | 128.4 Ų | 128.4 | 51% | 0.508 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -70.2 | -30.8 | 175.9 | -71.9 | -70.4 | 0 | 0 | 0 | 112.4 | Y72 Q74 F80 | Y72-N76 PolarHBondContact O-ND2 2.94Å; Q74-N76 VanDerWaalsContact C-N 3.3Å; Q74-N76 PolarHBondContact O-N 3.42Å; N76-F80 PolarHBondContact O-N 2.77Å |
| 77 | K | 32.8 | Very low | 32.2 | Very low | 127 Ų | 127 | 128.6 Ų | 128.6 | 55% | 0.552 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -69.4 | -38.2 | 173.4 | -77.2 | 171.7 | -178.6 | 173.9 | 0 | 112.7 | L73 Q74 M75 F80 N81 | L73-K77 WeakPolarHBondContact O-CD 3.32Å; L73-K77 VanDerWaalsContact O-CG 3.3Å; L73-K77 WeakPolarHBondContact O-CG 3.45Å; Q74-K77 WeakPolarHBondContact O-CA 3.39Å; Q74-K77 WeakPolarHBondContact O-CB 3.35Å; Q74-K77 PolarHBondContact O-N 3.03Å; M75-K77 VanDerWaalsContact C-N 3.33Å; K77-F80 PolarHBondContact O-N 3.44Å; K77-N81 WeakPolarHBondContact O-CB 3.3Å; K77-N81 PolarHBondContact O-N 3.25Å; K77-N81 PolarHBondContact O-ND2 2.88Å; K77-N81 VanDerWaalsContact O-ND2 3.14Å |
| 78 | S | 29.7 | Very low | 31.6 | Very low | 60 Ų | 60 | 128.4 Ų | 128.4 | 42% | 0.42 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -67.9 | -36.6 | 178.1 | 46.4 | 0 | 0 | 0 | 0 | 112.5 | Q74 M75 F80 N82 | Q74-S78 PolarHBondContact O-N 2.95Å; Q74-S78 PolarHBondContact O-OG 3.48Å; M75-S78 PolarHBondContact O-N 3.1Å; M75-S78 PolarHBondContact O-OG 2.8Å; S78-F80 VanDerWaalsContact C-N 3.33Å; S78-F80 PolarHBondContact O-N 2.82Å; S78-N82 PolarHBondContact O-N 2.73Å |
| 79 | I | 31.9 | Very low | 31.4 | Very low | 115 Ų | 115 | 130.1 Ų | 130.1 | 59% | 0.59 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -62.3 | -39.2 | 174.9 | -65.5 | 168.2 | 0 | 0 | 0 | 111.5 | M75 | M75-I79 WeakPolarHBondContact O-CG1 3.12Å; M75-I79 PolarHBondContact O-N 3.34Å |
| 80 | F | 32.6 | Very low | 31 | Very low | 151 Ų | 151 | 131.5 Ų | 131.5 | 66% | 0.662 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -82.7 | -31.9 | 177.6 | -95.8 | -96.9 | 0 | 0 | 0 | 114.8 | N76 K77 S78 N82 | N76-F80 PolarHBondContact O-N 2.77Å; K77-F80 PolarHBondContact O-N 3.44Å; S78-F80 VanDerWaalsContact C-N 3.33Å; S78-F80 PolarHBondContact O-N 2.82Å; F80-N82 PolarHBondContact O-N 3.32Å |
| 81 | N | 33.7 | Very low | 30.7 | Very low | 110 Ų | 110 | 141.1 Ų | 141.1 | 59% | 0.588 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -77.1 | -18.4 | -175.4 | -76.2 | -28.6 | 0 | 0 | 0 | 114.2 | K77 Y83 N84 | K77-N81 WeakPolarHBondContact O-CB 3.3Å; K77-N81 PolarHBondContact O-N 3.25Å; K77-N81 PolarHBondContact O-ND2 2.88Å; K77-N81 VanDerWaalsContact O-ND2 3.14Å; N81-Y83 PolarHBondContact O-N 3.23Å; N81-Y83 VanDerWaalsContact O-N 3.08Å; N81-N84 PolarHBondContact O-N 2.88Å |
| 82 | N | 33.5 | Very low | 30.6 | Very low | 145 Ų | 145 | 140.1 Ų | 140.1 | 78% | 0.775 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.4 | -8 | 177.9 | -79.1 | -9.7 | 0 | 0 | 0 | 114.1 | S78 F80 | S78-N82 PolarHBondContact O-N 2.73Å; F80-N82 PolarHBondContact O-N 3.32Å |
| 83 | Y | 32.1 | Very low | 30.4 | Very low | 219 Ų | 219 | 140.2 Ų | 140.2 | 86% | 0.859 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.2 | 3.5 | 176.2 | -96.9 | -83.3 | 0 | 0 | 0 | 115.2 | N81 | N81-Y83 PolarHBondContact O-N 3.23Å; N81-Y83 VanDerWaalsContact O-N 3.08Å |
| 84 | N | 28.5 | Very low | 30 | Very low | 138 Ų | 138 | 142.1 Ų | 142.1 | 74% | 0.738 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -153.6 | 73.2 | -176.6 | -147.5 | -10.3 | 0 | 0 | 0 | 115.5 | N81 | N81-N84 PolarHBondContact O-N 2.88Š|
| 85 | R | 30.7 | Very low | 29.6 | Very low | 238 Ų | 238 | 141.5 Ų | 141.5 | 90% | 0.898 | 73% | 0.729 | S | S | * | * | trans | -160.1 | 138.5 | 159.7 | -111.4 | 161.7 | -151.8 | -115.7 | 0.1 | 113.1 | ||||
| 86 | N | 26.6 | Very low | 29.6 | Very low | 162 Ų | 162 | 144.5 Ų | 144.5 | 87% | 0.866 | 74% | 0.739 | S | S | * | * | trans | -88.5 | 110.8 | -176.1 | -61.1 | -20.9 | 0 | 0 | 0 | 112.1 | ||||
| 87 | T | 29.3 | Very low | 29.5 | Very low | 129 Ų | 129 | 145.9 Ų | 145.9 | 79% | 0.791 | 75% | 0.75 | S | S | * | * | trans | -150.4 | 94.4 | 159.6 | 47.8 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 88 | S | 24.3 | Very low | 29.3 | Very low | 120 Ų | 120 | 144.5 Ų | 144.5 | 84% | 0.839 | 76% | 0.757 | S | S | * | * | 71.6 | 70.9 | 70.6 | -169.7 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 89 | T | 30.9 | Very low | 29.1 | Very low | 133 Ų | 133 | 150.9 Ų | 150.9 | 82% | 0.816 | 78% | 0.78 | S | S | * | * | trans | -142.5 | 137 | 156.1 | 45.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 90 | D | 24.4 | Very low | 29 | Very low | 140 Ų | 140 | 151.2 Ų | 151.2 | 75% | 0.749 | 79% | 0.792 | S | S | * | * | trans | -73.2 | 141.9 | -162.6 | -48.1 | -88 | 0 | 0 | 0 | 115.5 | ||||
| 91 | W | 28 | Very low | 28.7 | Very low | 260 Ų | 260 | 152.6 Ų | 152.6 | 99% | 0.985 | 80% | 0.801 | S | S | * | * | trans | -141 | 119.1 | 142.9 | -86.8 | 93.2 | 0 | 0 | 0 | 109.3 | ||||
| 92 | T | 31.2 | Very low | 28.4 | Very low | 108 Ų | 108 | 156.5 Ų | 156.5 | 66% | 0.663 | 82% | 0.816 | S | S | * | * | trans | -93.8 | 146.2 | -172.8 | 52.1 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 93 | N | 27 | Very low | 28.2 | Very low | 153 Ų | 153 | 160 Ų | 160 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | trans | 59.4 | 102.3 | 153.3 | -60.7 | -24 | 0 | 0 | 0 | 118.5 | ||||
| 94 | C | 27.2 | Very low | 28 | Very low | 131 Ų | 131 | 157.8 Ų | 157.8 | 89% | 0.885 | 82% | 0.817 | S | S | * | * | -149.7 | 144.3 | 105.9 | -150.3 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 95 | T | 26.5 | Very low | 28.2 | Very low | 113 Ų | 113 | 157.6 Ų | 157.6 | 69% | 0.693 | 82% | 0.821 | S | S | * | * | trans | -131.4 | 155.7 | 179.4 | 57.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 96 | K | 30 | Very low | 28 | Very low | 188 Ų | 188 | 154.7 Ų | 154.7 | 82% | 0.817 | 82% | 0.815 | S | S | * | * | trans | 77 | 138.9 | -176.9 | -49.1 | 168.2 | -173.8 | 174.7 | 0 | 112.3 | ||||
| 97 | T | 28.4 | Very low | 28.4 | Very low | 123 Ų | 123 | 151.7 Ų | 151.7 | 76% | 0.755 | 81% | 0.805 | S | S | * | * | cis | -155.8 | 155.4 | 5.2 | -7.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 98 | S | 28.3 | Very low | 28.5 | Very low | 98 Ų | 98 | 152.1 Ų | 152.1 | 69% | 0.685 | 81% | 0.806 | S | S | * | * | trans | 60.9 | 102.7 | 149.1 | -55 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 99 | Q | 26.2 | Very low | 28.8 | Very low | 195 Ų | 195 | 156 Ų | 156 | 91% | 0.911 | 80% | 0.804 | S | S | * | * | 46.1 | 91.7 | 126.8 | -64.6 | 179.4 | -23 | 0 | 0 | 120.2 | |||||
| 100 | S | 29.7 | Very low | 28.8 | Very low | 121 Ų | 121 | 154.8 Ų | 154.8 | 85% | 0.846 | 79% | 0.793 | S | S | * | * | trans | -156.3 | 165.7 | 131.3 | 60.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 101 | H | 26 | Very low | 29.2 | Very low | 180 Ų | 180 | 156 Ų | 156 | 83% | 0.833 | 79% | 0.792 | S | S | * | * | trans | -86.2 | 126.5 | 179.9 | -78.5 | -106.4 | 0 | 0 | 0 | 111.6 | ||||
| 102 | E | 28.3 | Very low | 29.4 | Very low | 193 Ų | 193 | 148.7 Ų | 148.7 | 90% | 0.902 | 78% | 0.776 | S | S | * | * | trans | -157.1 | 146.1 | 149.9 | -122.7 | 163.9 | -160.2 | 0 | 0 | 111.4 | ||||
| 103 | Y | 28.4 | Very low | 29.6 | Very low | 217 Ų | 217 | 147.4 Ų | 147.4 | 85% | 0.851 | 77% | 0.771 | S | S | * | * | trans | -93.1 | 120.7 | -174.5 | -75.5 | -97.4 | 0 | 0 | 0 | 111.1 | T105 | Y103-T105 PolarHBondContact O-N 3.25Š| ||
| 104 | Q | 28.1 | Very low | 29.9 | Very low | 174 Ų | 174 | 147.7 Ų | 147.7 | 81% | 0.813 | 77% | 0.766 | S | S | * | * | trans | -85.2 | 102.2 | 167 | -73.8 | -172.2 | -22.8 | 0 | 0 | 110.7 | ||||
| 105 | T | 32.6 | Very low | 30.4 | Very low | 133 Ų | 133 | 149.8 Ų | 149.8 | 82% | 0.816 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -84.1 | 117.2 | 172.9 | 39.2 | 0 | 0 | 0 | 0 | 111.1 | Y103 | Y103-T105 PolarHBondContact O-N 3.25Š|
| 106 | F | 27.5 | Very low | 30.7 | Very low | 177 Ų | 177 | 153.4 Ų | 153.4 | 78% | 0.776 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 147.1 | 171.4 | -77.9 | -93 | 0 | 0 | 0 | 111.4 | ||
| 107 | P | 33.3 | Very low | 31 | Very low | 100 Ų | 100 | 152.8 Ų | 152.8 | 65% | 0.649 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 133.6 | -175.5 | -18.8 | 32.5 | 0 | 0 | 0 | 113.2 | Y109 | P107-Y109 PolarHBondContact O-N 3.08Š|
| 108 | V | 32.5 | Very low | 31.4 | Very low | 137 Ų | 137 | 156.5 Ų | 156.5 | 83% | 0.83 | 76% | 0.764 | S | S | * | * | trans | -74.2 | 110.5 | 165.5 | 178 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 109 | Y | 31.3 | Very low | 31.8 | Very low | 201 Ų | 201 | 160.4 Ų | 160.4 | 79% | 0.788 | 77% | 0.771 | S | S | * | * | trans | -68.2 | 152 | 178.6 | -90.3 | -94.4 | 0 | 0 | 0 | 112.8 | P107 F111 | P107-Y109 PolarHBondContact O-N 3.08Å; Y109-F111 PolarHBondContact O-N 2.99Å | ||
| 110 | D | 30.2 | Very low | 32.4 | Very low | 109 Ų | 109 | 159 Ų | 159 | 58% | 0.583 | 76% | 0.764 | S | S | * | * | trans | -68.5 | 114.5 | -167.5 | -157.2 | -41 | 0 | 0 | 0 | 113.1 | T112 | D110-T112 PolarHBondContact O-N 3.46Å; D110-T112 VanDerWaalsContact OD1-CB 3.3Å; D110-T112 WeakPolarHBondContact OD1-CB 3.33Å; D110-T112 WeakPolarHBondContact OD1-CG2 3.5Å; D110-T112 PolarHBondContact OD1-N 2.78Å; D110-T112 PolarHBondContact OD1-OG1 3.19Å | ||
| 111 | F | 32.5 | Very low | 32.8 | Very low | 165 Ų | 165 | 161.8 Ų | 161.8 | 72% | 0.724 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70 | -7.7 | -179.2 | -106.9 | -89.1 | 0 | 0 | 0 | 114 | Y109 S113 | Y109-F111 PolarHBondContact O-N 2.99Å; F111-S113 VanDerWaalsContact C-N 3.27Å; F111-S113 PolarHBondContact O-N 3.38Å |
| 112 | T | 33.2 | Very low | 33.3 | Very low | 106 Ų | 106 | 161.4 Ų | 161.4 | 65% | 0.65 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.4 | -27 | 177.6 | 55.9 | 0 | 0 | 0 | 0 | 113.5 | D110 | D110-T112 PolarHBondContact O-N 3.46Å; D110-T112 VanDerWaalsContact OD1-CB 3.3Å; D110-T112 WeakPolarHBondContact OD1-CB 3.33Å; D110-T112 WeakPolarHBondContact OD1-CG2 3.5Å; D110-T112 PolarHBondContact OD1-N 2.78Å; D110-T112 PolarHBondContact OD1-OG1 3.19Å |
| 113 | S | 34.7 | Very low | 33.7 | Very low | 81 Ų | 81 | 157.8 Ų | 157.8 | 57% | 0.566 | 76% | 0.758 | S | S | * | * | G | 310 helix | trans | -70.5 | -35 | -177.2 | -168 | 0 | 0 | 0 | 0 | 113.5 | F111 Q115 Y116 | F111-S113 VanDerWaalsContact C-N 3.27Å; F111-S113 PolarHBondContact O-N 3.38Å; S113-Q115 PolarHBondContact O-N 3.34Å; S113-Q115 VanDerWaalsContact O-N 3.13Å; S113-Y116 PolarHBondContact O-N 3.07Å; S113-Y116 VanDerWaalsContact O-N 3.16Å |
| 114 | F | 32.6 | Very low | 33.9 | Very low | 160 Ų | 160 | 152.9 Ų | 152.9 | 70% | 0.702 | 76% | 0.756 | S | S | * | * | G | 310 helix | trans | -67.4 | -16.9 | -174.2 | -82.9 | -76.6 | 0 | 0 | 0 | 114.9 | Y116 | F114-Y116 VanDerWaalsContact C-N 3.29Å; F114-Y116 PolarHBondContact O-N 3.01Å |
| 115 | Q | 38.1 | Very low | 34.4 | Very low | 175 Ų | 175 | 153 Ų | 153 | 82% | 0.818 | 76% | 0.756 | S | S | * | * | G | 310 helix | trans | -75 | -19.6 | 177.2 | -149.8 | 172.6 | 33.5 | 0 | 0 | 112.8 | S113 | S113-Q115 PolarHBondContact O-N 3.34Å; S113-Q115 VanDerWaalsContact O-N 3.13Å |
| 116 | Y | 34 | Very low | 34.5 | Very low | 189 Ų | 189 | 158 Ų | 158 | 74% | 0.741 | 76% | 0.762 | S | S | * | * | G | 310 helix | trans | -79.2 | -24.8 | -176.7 | -118.7 | -84.9 | 0 | 0 | 0 | 114.4 | S113 F114 R118 | S113-Y116 PolarHBondContact O-N 3.07Å; S113-Y116 VanDerWaalsContact O-N 3.16Å; F114-Y116 VanDerWaalsContact C-N 3.29Å; F114-Y116 PolarHBondContact O-N 3.01Å; Y116-R118 VanDerWaalsContact C-N 3.32Å; Y116-R118 PolarHBondContact O-N 3.42Å |
| 117 | H | 35.4 | Very low | 34.7 | Very low | 174 Ų | 174 | 156.9 Ų | 156.9 | 81% | 0.806 | 76% | 0.764 | S | S | * | * | G | 310 helix | trans | -80.6 | -5 | -178.8 | -97 | 63.8 | 0 | 0 | 0 | 114.7 | ||
| 118 | R | 37.2 | Very low | 34.9 | Very low | 202 Ų | 202 | 160.6 Ų | 160.6 | 76% | 0.762 | 77% | 0.773 | S | S | * | * | G | 310 helix | trans | -90.1 | 2.5 | -169.5 | -159.5 | 176.3 | 162.8 | -178 | -5.1 | 115.3 | Y116 | Y116-R118 VanDerWaalsContact C-N 3.32Å; Y116-R118 PolarHBondContact O-N 3.42Å |
| 119 | H | 36.7 | Very low | 34.9 | Very low | 179 Ų | 179 | 164.8 Ų | 164.8 | 83% | 0.829 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -113.8 | -3.1 | -172 | -122.4 | 100.5 | 0 | 0 | 0 | 116.7 | ||
| 120 | H | 38 | Very low | 35.2 | Very low | 165 Ų | 165 | 164.1 Ų | 164.1 | 76% | 0.764 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -109.1 | 11.5 | -166.6 | -134.2 | -71.4 | 0 | 0 | 0 | 116.2 | ||
| 121 | H | 39.3 | Very low | 35.3 | Very low | 180 Ų | 180 | 170.4 Ų | 170.4 | 83% | 0.833 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -120.9 | 11.6 | -168.7 | -121.1 | -72.4 | 0 | 0 | 0 | 115.9 | ||
| 122 | L | 36.7 | Very low | 35.6 | Very low | 172 Ų | 172 | 170.9 Ų | 170.9 | 90% | 0.901 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -120.9 | 6.7 | -176.5 | -82 | 167.6 | 0 | 0 | 0 | 114.9 | ||
| 123 | T | 35.1 | Very low | 35.7 | Very low | 117 Ų | 117 | 173.7 Ų | 173.7 | 72% | 0.718 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -102.3 | 3.2 | -177.2 | 43.3 | 0 | 0 | 0 | 0 | 114.5 | ||
| 124 | S | 33.8 | Very low | 35.7 | Very low | 115 Ų | 115 | 177.7 Ų | 177.7 | 80% | 0.804 | 82% | 0.818 | S | S | * | * | S | Bend | trans | -106.1 | 27.9 | -166.1 | -152.2 | 0 | 0 | 0 | 0 | 115.3 | ||
| 125 | Q | 38 | Very low | 35.8 | Very low | 175 Ų | 175 | 177.2 Ų | 177.2 | 82% | 0.818 | 82% | 0.823 | S | S | * | * | S | Bend | trans | -138 | 10.6 | 177.6 | -75 | -162.7 | -17.5 | 0 | 0 | 115.6 | ||
| 126 | Y | 33.8 | Very low | 35.7 | Very low | 238 Ų | 238 | 174.3 Ų | 174.3 | 93% | 0.933 | 82% | 0.819 | S | S | * | * | trans | -125.9 | 60.2 | 175.1 | -92 | -85.5 | 0 | 0 | 0 | 111.8 | ||||
| 127 | D | 33.1 | Very low | 35.9 | Very low | 155 Ų | 155 | 173.8 Ų | 173.8 | 83% | 0.829 | 83% | 0.828 | S | S | * | * | trans | -144 | 80.4 | 171.8 | -156.9 | 0.9 | 0 | 0 | 0 | 110.7 | ||||
| 128 | H | 36 | Very low | 35.8 | Very low | 178 Ų | 178 | 174 Ų | 174 | 82% | 0.824 | 83% | 0.828 | S | S | * | * | trans | -151.1 | 38.7 | -177.2 | -149.6 | 74 | 0 | 0 | 0 | 115.1 | ||||
| 129 | Y | 33.2 | Very low | 35.6 | Very low | 224 Ų | 224 | 169.6 Ų | 169.6 | 88% | 0.878 | 83% | 0.829 | S | S | * | * | S | Bend | trans | -141 | 144.8 | 164 | -93.4 | -80.4 | 0 | 0 | 0 | 111.4 | ||
| 130 | Q | 37.3 | Very low | 35.6 | Very low | 187 Ų | 187 | 166.4 Ų | 166.4 | 87% | 0.874 | 82% | 0.822 | S | S | * | * | trans | 72 | 80.7 | 177.6 | -50.8 | -156.3 | 17.2 | 0 | 0 | 117.8 | ||||
| 131 | R | 33.1 | Very low | 35.4 | Very low | 241 Ų | 241 | 168.4 Ų | 168.4 | 91% | 0.909 | 82% | 0.824 | S | S | * | * | trans | -130.5 | 73.4 | 148.4 | -83.3 | -169.7 | 171.2 | 173.5 | -0.8 | 111.3 | ||||
| 132 | H | 38.3 | Very low | 35.4 | Very low | 176 Ų | 176 | 165.9 Ų | 165.9 | 82% | 0.815 | 82% | 0.824 | S | S | * | * | trans | -142.8 | 122.3 | 171.8 | -77 | -50.2 | 0 | 0 | 0 | 111.8 | ||||
| 133 | L | 36.2 | Very low | 35.3 | Very low | 164 Ų | 164 | 164.9 Ų | 164.9 | 86% | 0.859 | 82% | 0.819 | S | S | * | * | trans | 69 | 149 | 171.1 | -47.4 | 168.8 | 0 | 0 | 0 | 113.4 | ||||
| 134 | H | 34.8 | Very low | 35.3 | Very low | 166 Ų | 166 | 167.6 Ų | 167.6 | 77% | 0.769 | 82% | 0.823 | S | S | * | * | cis | -147.3 | 162 | 20.5 | -150 | -85.3 | 0 | 0 | 0 | 112.3 | ||||
| 135 | N | 34.1 | Very low | 35.4 | Very low | 149 Ų | 149 | 169 Ų | 169 | 80% | 0.797 | 82% | 0.816 | S | S | * | * | trans | -78.8 | 152.2 | 174.8 | -95.4 | -9.3 | 0 | 0 | 0 | 113 | ||||
| 136 | P | 36.6 | Very low | 35.2 | Very low | 114 Ų | 114 | 166.2 Ų | 166.2 | 74% | 0.74 | 81% | 0.805 | S | S | * | * | trans | -96 | 148 | -175.9 | 37 | -35.4 | 0 | 0 | 0 | 115.3 | ||||
| 137 | I | 37.1 | Very low | 35.2 | Very low | 179 Ų | 179 | 162.9 Ų | 162.9 | 92% | 0.918 | 80% | 0.796 | S | S | * | * | trans | -141.9 | 157.5 | 165.2 | -60.7 | -175.4 | 0 | 0 | 0 | 108.9 | ||||
| 138 | H | 33.1 | Very low | 35.3 | Very low | 177 Ų | 177 | 160.1 Ų | 160.1 | 82% | 0.819 | 79% | 0.788 | S | S | * | * | trans | -118.8 | 135.7 | -155 | -165.5 | -79 | 0 | 0 | 0 | 114.3 | ||||
| 139 | S | 33.5 | Very low | 35.4 | Very low | 110 Ų | 110 | 159.5 Ų | 159.5 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | trans | -175.2 | 107.4 | 165.9 | -174.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 140 | T | 37.3 | Very low | 35.5 | Very low | 113 Ų | 113 | 157.1 Ų | 157.1 | 69% | 0.693 | 77% | 0.774 | S | S | * | * | 91.6 | 110.2 | 76 | -55.6 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 141 | Y | 32.7 | Very low | 35.5 | Very low | 206 Ų | 206 | 155.1 Ų | 155.1 | 81% | 0.808 | 77% | 0.769 | S | S | * | * | trans | -14.5 | 173.1 | 153.8 | -76.8 | -87.3 | 0 | 0 | 0 | 121.8 | ||||
| 142 | P | 39.6 | Very low | 35.6 | Very low | 128 Ų | 128 | 152.3 Ų | 152.3 | 83% | 0.831 | 77% | 0.767 | S | S | * | * | cis | -143.8 | -168 | 25.3 | 37.2 | -11.9 | 0 | 0 | 0 | 120.1 | ||||
| 143 | L | 34.9 | Very low | 35.5 | Very low | 150 Ų | 150 | 149 Ų | 149 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | trans | -90.9 | 160.2 | -167.7 | -87.5 | 146.2 | 0 | 0 | 0 | 118.7 | ||||
| 144 | H | 35.4 | Very low | 35.5 | Very low | 174 Ų | 174 | 145.5 Ų | 145.5 | 81% | 0.806 | 75% | 0.752 | S | S | * | * | trans | -179.4 | 167.1 | 143.7 | -107.9 | -66 | 0 | 0 | 0 | 110.5 | ||||
| 145 | H | 36.2 | Very low | 35.6 | Very low | 145 Ų | 145 | 144.5 Ų | 144.5 | 67% | 0.671 | 75% | 0.753 | S | S | * | * | cis | -153.2 | 108.3 | -5.6 | 175.6 | -71.8 | 0 | 0 | 0 | 113.3 | ||||
| 146 | M | 33.6 | Very low | 35.6 | Very low | 117 Ų | 117 | 145.1 Ų | 145.1 | 58% | 0.576 | 75% | 0.751 | S | S | * | * | trans | 37.2 | 131.1 | 132.4 | -55.6 | -99.9 | 57.5 | 0 | 0 | 125.7 | ||||
| 147 | F | 34.1 | Very low | 35.7 | Very low | 168 Ų | 168 | 145.4 Ų | 145.4 | 74% | 0.737 | 75% | 0.751 | S | S | * | * | trans | 88 | 110.7 | 136.4 | -69.7 | -45.2 | 0 | 0 | 0 | 126.6 | ||||
| 148 | S | 33.2 | Very low | 35.5 | Very low | 97 Ų | 97 | 143.9 Ų | 143.9 | 68% | 0.678 | 74% | 0.744 | S | S | * | * | 65.9 | 134.3 | 120.4 | -53.4 | 0 | 0 | 0 | 0 | 125.2 | |||||
| 149 | K | 38.2 | Very low | 35.6 | Very low | 165 Ų | 165 | 145.3 Ų | 145.3 | 72% | 0.717 | 75% | 0.749 | S | S | * | * | 172.2 | 139.3 | 108.9 | -95.9 | 174.6 | 171.7 | -174.8 | 0 | 117 | |||||
| 150 | Y | 36.6 | Very low | 35.7 | Very low | 173 Ų | 173 | 148.1 Ų | 148.1 | 68% | 0.678 | 75% | 0.749 | S | S | * | * | trans | 56.2 | 125 | 149.9 | -54.3 | -45.2 | 0 | 0 | 0 | 120.4 | ||||
| 151 | D | 36.4 | Very low | 35.8 | Very low | 145 Ų | 145 | 148.5 Ų | 148.5 | 78% | 0.775 | 75% | 0.752 | S | S | * | * | 72.3 | 150.4 | 75.6 | -54.3 | -8.1 | 0 | 0 | 0 | 113.4 | |||||
| 152 | E | 35.3 | Very low | 35.8 | Very low | 183 Ų | 183 | 145.3 Ų | 145.3 | 86% | 0.855 | 75% | 0.749 | S | S | * | * | cis | -178 | 127.5 | -28.6 | 174.6 | -176.2 | -134.3 | 0 | 0 | 106 | ||||
| 153 | S | 37.6 | Very low | 36 | Very low | 105 Ų | 105 | 146.7 Ų | 146.7 | 73% | 0.734 | 75% | 0.747 | S | S | * | * | trans | 177.4 | 113.1 | 157.3 | 54.1 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 154 | S | 34.5 | Very low | 36.2 | Very low | 92 Ų | 92 | 145.7 Ų | 145.7 | 64% | 0.643 | 75% | 0.748 | S | S | * | * | 39.8 | 147.2 | 128.8 | 71.7 | 0 | 0 | 0 | 0 | 124.7 | |||||
| 155 | N | 36.6 | Very low | 36.4 | Very low | 144 Ų | 144 | 144.4 Ų | 144.4 | 77% | 0.77 | 74% | 0.742 | S | S | * | * | trans | 80.3 | 151.1 | 150.1 | -57.6 | -17.6 | 0 | 0 | 0 | 119.5 | ||||
| 156 | E | 34.3 | Very low | 36.6 | Very low | 163 Ų | 163 | 145.2 Ų | 145.2 | 76% | 0.762 | 74% | 0.744 | S | S | * | * | cis | -165.5 | -175.7 | -37.3 | -144.2 | -170.8 | -150.2 | 0 | 0 | 109.7 | ||||
| 157 | T | 38.9 | Very low | 36.9 | Very low | 120 Ų | 120 | 148.2 Ų | 148.2 | 74% | 0.736 | 76% | 0.756 | S | S | * | * | trans | 76.5 | 138.4 | 164 | 69.5 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 158 | N | 33.2 | Very low | 37.2 | Very low | 146 Ų | 146 | 150.1 Ų | 150.1 | 78% | 0.781 | 76% | 0.764 | S | S | * | * | trans | -83 | 161.7 | 168.8 | -52.8 | -83.8 | 0 | 0 | 0 | 111 | ||||
| 159 | F | 35.8 | Very low | 37.7 | Very low | 208 Ų | 208 | 152.5 Ų | 152.5 | 91% | 0.912 | 77% | 0.767 | S | S | * | * | -160.9 | 140.5 | 127.5 | -103.8 | -67.1 | 0 | 0 | 0 | 111.5 | |||||
| 160 | Q | 35.3 | Very low | 37.6 | Very low | 168 Ų | 168 | 151.3 Ų | 151.3 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | trans | -129 | 127.3 | 172.7 | 173.6 | 169.9 | -14.8 | 0 | 0 | 110.1 | ||||
| 161 | T | 38.7 | Very low | 37.9 | Very low | 122 Ų | 122 | 151.2 Ų | 151.2 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | trans | -147.8 | 124.1 | 168.8 | 34.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 162 | D | 34.3 | Very low | 37.9 | Very low | 138 Ų | 138 | 151.1 Ų | 151.1 | 74% | 0.738 | 77% | 0.774 | S | S | * | * | trans | -74.5 | 134.1 | 164.6 | -80 | -73 | 0 | 0 | 0 | 110.3 | ||||
| 163 | I | 42.3 | Very low | 38.3 | Very low | 157 Ų | 157 | 149.7 Ų | 149.7 | 81% | 0.805 | 77% | 0.767 | S | S | * | * | trans | -136.6 | 98.6 | 160.1 | -55.2 | -178.4 | 0 | 0 | 0 | 109.5 | ||||
| 164 | T | 39.3 | Very low | 38.3 | Very low | 130 Ų | 130 | 148.9 Ų | 148.9 | 80% | 0.798 | 76% | 0.761 | S | S | * | * | trans | -102.8 | 104.8 | 162.2 | 54.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 165 | E | 40.1 | Very low | 39 | Very low | 146 Ų | 146 | 151.4 Ų | 151.4 | 68% | 0.682 | 77% | 0.768 | S | S | * | * | trans | -175.1 | 162.2 | 142.7 | -113.9 | -170.2 | 165.2 | 0 | 0 | 113 | ||||
| 166 | K | 39.9 | Very low | 39.3 | Very low | 162 Ų | 162 | 152.1 Ų | 152.1 | 70% | 0.704 | 77% | 0.766 | S | S | * | * | trans | 53.7 | 113 | 159.2 | -64.5 | 150 | -178.9 | 145.7 | 0 | 117.3 | ||||
| 167 | H | 40.6 | Very low | 39.8 | Very low | 180 Ų | 180 | 150 Ų | 150 | 83% | 0.833 | 76% | 0.76 | S | S | * | * | -161.4 | 124.1 | 113 | -103.7 | -75.8 | 0 | 0 | 0 | 110.2 | |||||
| 168 | K | 39.7 | Very low | 40 | Very low | 209 Ų | 209 | 150 Ų | 150 | 91% | 0.909 | 76% | 0.755 | S | S | * | * | trans | -151.5 | 65.5 | 171.8 | -166.8 | -169.4 | 176.9 | -174.3 | 0 | 109.8 | ||||
| 169 | I | 45.1 | Very low | 40.6 | Very low | 146 Ų | 146 | 148.9 Ų | 148.9 | 75% | 0.749 | 75% | 0.75 | S | S | * | * | trans | -128.1 | 145.5 | 175.6 | -68.4 | 175.7 | 0 | 0 | 0 | 107.9 | ||||
| 170 | N | 35.3 | Very low | 41.1 | Very low | 140 Ų | 140 | 146 Ų | 146 | 75% | 0.749 | 74% | 0.744 | S | S | * | * | trans | -60.8 | 158.4 | -173.3 | -44.8 | -35.5 | 0 | 0 | 0 | 112.9 | ||||
| 171 | H | 43.6 | Very low | 41.4 | Very low | 171 Ų | 171 | 143.8 Ų | 143.8 | 79% | 0.792 | 74% | 0.742 | S | S | * | * | trans | -141.3 | 127.5 | 136.1 | -131.1 | -69.6 | 0 | 0 | 0 | 110.7 | ||||
| 172 | N | 36.2 | Very low | 41.9 | Very low | 144 Ų | 144 | 141.9 Ų | 141.9 | 77% | 0.77 | 73% | 0.734 | S | S | * | * | trans | -96.8 | 143.9 | 161.7 | -68.8 | -9.9 | 0 | 0 | 0 | 107.8 | ||||
| 173 | H | 43.3 | Very low | 42.5 | Very low | 153 Ų | 153 | 142.3 Ų | 142.3 | 71% | 0.708 | 74% | 0.736 | S | S | * | * | trans | -157.4 | 113.3 | 149.9 | -111.8 | -96.4 | 0 | 0 | 0 | 103.5 | ||||
| 174 | S | 37.5 | Very low | 42.8 | Very low | 87 Ų | 87 | 141.6 Ų | 141.6 | 61% | 0.608 | 73% | 0.734 | S | S | * | * | 84.7 | 153.1 | 74.9 | -62.1 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 175 | D | 48.5 | Very low | 43.2 | Very low | 146 Ų | 146 | 141.1 Ų | 141.1 | 78% | 0.781 | 73% | 0.731 | S | S | * | * | trans | 73.4 | 135.2 | 169.3 | -37.3 | -26.5 | 0 | 0 | 0 | 116.6 | ||||
| 176 | E | 43.6 | Very low | 43.4 | Very low | 158 Ų | 158 | 142 Ų | 142 | 74% | 0.738 | 74% | 0.735 | S | S | * | * | cis | -158.3 | 151.3 | -34.8 | -136.5 | -165.2 | -160.1 | 0 | 0 | 111.3 | ||||
| 177 | N | 44 | Very low | 43 | Very low | 118 Ų | 118 | 139.1 Ų | 139.1 | 63% | 0.631 | 73% | 0.734 | S | S | * | * | trans | 58.9 | 139.2 | 148.1 | -79.7 | -34.6 | 0 | 0 | 0 | 125.1 | ||||
| 178 | N | 43.8 | Very low | 43.1 | Very low | 120 Ų | 120 | 135.4 Ų | 135.4 | 64% | 0.642 | 73% | 0.728 | S | S | * | * | trans | 92.7 | 84.1 | 144.5 | -66.1 | -22.9 | 0 | 0 | 0 | 123.8 | ||||
| 179 | N | 46.4 | Very low | 43.2 | Very low | 123 Ų | 123 | 130.2 Ų | 130.2 | 66% | 0.658 | 72% | 0.718 | S | S | * | * | 84.3 | 137 | 108.6 | -62.9 | -13.2 | 0 | 0 | 0 | 123.6 | |||||
| 180 | N | 46 | Very low | 43.1 | Very low | 148 Ų | 148 | 131.4 Ų | 131.4 | 79% | 0.791 | 73% | 0.726 | S | S | * | * | trans | 69.5 | 143.6 | 152.4 | -57.9 | -9.5 | 0 | 0 | 0 | 117.1 | ||||
| 181 | T | 41.9 | Very low | 43.5 | Very low | 122 Ų | 122 | 128.6 Ų | 128.6 | 75% | 0.748 | 73% | 0.73 | S | S | * | * | cis | -174.7 | 153.6 | -6.7 | -105.7 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 182 | S | 48.6 | Very low | 43.6 | Very low | 82 Ų | 82 | 125.6 Ų | 125.6 | 57% | 0.573 | 73% | 0.728 | S | S | * | * | cis | -169.4 | 169.8 | -23.6 | -71.8 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 183 | N | 46.3 | Very low | 44.1 | Very low | 146 Ų | 146 | 126 Ų | 126 | 78% | 0.781 | 73% | 0.73 | S | S | * | * | trans | 72.5 | 152.4 | 168 | -45.3 | -23.9 | 0 | 0 | 0 | 115.8 | ||||
| 184 | N | 48.9 | Very low | 44.2 | Very low | 143 Ų | 143 | 123.6 Ų | 123.6 | 77% | 0.765 | 73% | 0.731 | S | S | * | * | cis | -166.7 | 168.3 | -18.9 | -93.9 | -6.2 | 0 | 0 | 0 | 105.9 | ||||
| 185 | T | 48.6 | Very low | 44.8 | Very low | 120 Ų | 120 | 123.9 Ų | 123.9 | 74% | 0.736 | 73% | 0.733 | S | S | * | * | cis | -113.1 | -177.1 | 0.9 | 51.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 186 | E | 43.3 | Very low | 44.7 | Very low | 165 Ų | 165 | 123.6 Ų | 123.6 | 77% | 0.771 | 73% | 0.732 | S | S | * | * | cis | 67 | 138.6 | 34.8 | -63 | -169.4 | 137.7 | 0 | 0 | 117.5 | ||||
| 187 | C | 32.4 | Very low | 44.8 | Very low | 100 Ų | 100 | 122.4 Ų | 122.4 | 68% | 0.676 | 73% | 0.73 | S | S | * | * | cis | -167.2 | 170 | -26.5 | 61.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 188 | S | 42 | Very low | 44.7 | Very low | 103 Ų | 103 | 122.4 Ų | 122.4 | 72% | 0.72 | 74% | 0.74 | S | S | * | * | trans | 43.7 | 104.1 | 148.6 | -54.6 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 189 | S | 41.9 | Very low | 45.1 | Very low | 99 Ų | 99 | 125 Ų | 125 | 69% | 0.692 | 75% | 0.745 | S | S | * | * | 78.8 | 111.9 | 69 | 74.7 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 190 | N | 43.6 | Very low | 45.4 | Very low | 172 Ų | 172 | 125.6 Ų | 125.6 | 92% | 0.92 | 75% | 0.754 | S | S | * | * | trans | 171 | 144.8 | 134.5 | -88.4 | -25.5 | 0 | 0 | 0 | 111.2 | ||||
| 191 | G | 43.8 | Very low | 45.9 | Very low | 81 Ų | 81 | 126.4 Ų | 126.4 | 84% | 0.835 | 76% | 0.757 | S | S | * | * | trans | 159.6 | 71 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 192 | S | 45 | Very low | 46.5 | Very low | 107 Ų | 107 | 125.2 Ų | 125.2 | 75% | 0.748 | 75% | 0.754 | S | S | * | * | trans | -76.5 | 137 | 179.4 | -48.4 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 193 | N | 46.1 | Very low | 47.1 | Very low | 152 Ų | 152 | 131 Ų | 131 | 81% | 0.813 | 77% | 0.769 | S | S | * | * | 171.7 | 147.9 | 113.5 | -86.8 | -22 | 0 | 0 | 0 | 116.1 | |||||
| 194 | S | 46.9 | Very low | 47.9 | Very low | 103 Ų | 103 | 133.1 Ų | 133.1 | 72% | 0.72 | 77% | 0.771 | S | S | * | * | trans | 66.9 | 123.6 | 146.5 | -62.4 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 195 | S | 48.5 | Very low | 48.9 | Very low | 93 Ų | 93 | 131.9 Ų | 131.9 | 65% | 0.65 | 77% | 0.773 | S | S | * | * | trans | 64.1 | 97.8 | 134.7 | 67.6 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 196 | N | 47.8 | Very low | 50.2 | Low | 141 Ų | 141 | 135.9 Ų | 135.9 | 75% | 0.754 | 78% | 0.78 | S | S | * | * | 168 | 148.1 | 88.4 | -85.9 | -43.9 | 0 | 0 | 0 | 114.8 | |||||
| 197 | N | 45.2 | Very low | 52 | Low | 132 Ų | 132 | 139.5 Ų | 139.5 | 71% | 0.706 | 79% | 0.787 | S | S | * | * | trans | 53.6 | 63.4 | 155.1 | -71.9 | -33.4 | 0 | 0 | 0 | 119.3 | K199 | N197-K199 PolarHBondContact O-N 2.88Š| ||
| 198 | S | 41.4 | Very low | 54.6 | Low | 119 Ų | 119 | 138.8 Ų | 138.8 | 83% | 0.832 | 79% | 0.788 | S | S | * | * | trans | -69 | 69.9 | 154.9 | 46.8 | 0 | 0 | 0 | 0 | 111.6 | T200 | S198-T200 PolarHBondContact O-N 3.2Š| ||
| 199 | K | 53.1 | Low | 56.9 | Low | 173 Ų | 173 | 145.6 Ų | 145.6 | 75% | 0.752 | 80% | 0.798 | S | S | * | * | trans | -56.5 | 111.6 | 173.8 | -76.3 | -178.8 | 177.2 | 175.9 | 0 | 109.3 | N197 L201 | N197-K199 PolarHBondContact O-N 2.88Å; K199-L201 PolarHBondContact O-N 2.75Å; K199-L201 VanDerWaalsContact O-N 3.11Å | ||
| 200 | T | 52.8 | Low | 59.2 | Low | 137 Ų | 137 | 145.8 Ų | 145.8 | 84% | 0.84 | 80% | 0.795 | S | S | * | * | trans | -60.4 | 114.6 | -179.9 | 40.6 | 0 | 0 | 0 | 0 | 109.9 | S198 S202 | S198-T200 PolarHBondContact O-N 3.2Å; T200-S202 PolarHBondContact O-N 2.82Å | ||
| 201 | L | 56.9 | Low | 61.6 | Low | 165 Ų | 165 | 142 Ų | 142 | 86% | 0.864 | 79% | 0.788 | S | S | * | * | trans | -65 | 102.5 | 178.3 | -78.2 | 85.9 | 0 | 0 | 0 | 108.9 | K199 K203 | K199-L201 PolarHBondContact O-N 2.75Å; K199-L201 VanDerWaalsContact O-N 3.11Å; L201-K203 PolarHBondContact O-N 2.71Å | ||
| 202 | S | 54 | Low | 64.2 | Low | 97 Ų | 97 | 141.3 Ų | 141.3 | 68% | 0.678 | 76% | 0.761 | S | S | * | * | trans | -58.8 | 113.7 | 173.7 | 49.7 | 0 | 0 | 0 | 0 | 108.7 | T200 K204 | T200-S202 PolarHBondContact O-N 2.82Å; S202-K204 PolarHBondContact O-N 3.42Å | ||
| 203 | K | 61.8 | Low | 66.7 | Low | 204 Ų | 204 | 139.5 Ų | 139.5 | 89% | 0.887 | 75% | 0.746 | S | S | * | * | trans | -66.4 | 84.6 | 178.3 | -68.7 | 178.4 | -179.5 | 174.5 | 0 | 108.5 | L201 S205 | L201-K203 PolarHBondContact O-N 2.71Å; K203-S205 PolarHBondContact O-N 2.77Å | ||
| 204 | K | 63.2 | Low | 69.2 | Low | 189 Ų | 189 | 138.7 Ų | 138.7 | 82% | 0.822 | 74% | 0.737 | S | S | * | * | trans | -50.4 | 108.5 | -178.7 | -69.2 | -179.3 | 180 | 178.1 | 0 | 108.8 | S202 K206 | S202-K204 PolarHBondContact O-N 3.42Å; K204-K206 PolarHBondContact O-N 3.49Å; K204-K206 VanDerWaalsContact O-N 3.12Å | ||
| 205 | S | 68.1 | Low | 71.7 | Confident | 118 Ų | 118 | 138.6 Ų | 138.6 | 83% | 0.825 | 73% | 0.732 | S | S | * | * | trans | -60.8 | 117.4 | -173.2 | -173.7 | 0 | 0 | 0 | 0 | 109.7 | K203 R207 | K203-S205 PolarHBondContact O-N 2.77Å; S205-R207 PolarHBondContact O-N 2.79Å; S205-R207 VanDerWaalsContact O-N 3.09Å | ||
| 206 | K | 77.2 | Confident | 74 | Confident | 203 Ų | 203 | 135.5 Ų | 135.5 | 88% | 0.883 | 71% | 0.707 | S | S | * | * | trans | -67.8 | 108.9 | 174.8 | -71.4 | -177.5 | 178.3 | 179.6 | 0 | 107.3 | K204 A208 | K204-K206 PolarHBondContact O-N 3.49Å; K204-K206 VanDerWaalsContact O-N 3.12Å; K206-A208 PolarHBondContact O-N 3.4Å | ||
| 207 | R | 79.7 | Confident | 76.4 | Confident | 242 Ų | 242 | 131.6 Ų | 131.6 | 91% | 0.913 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -48.9 | 122.6 | 179.6 | -177 | 175.7 | -177.2 | 148.6 | 3.1 | 109.9 | S205 | S205-R207 PolarHBondContact O-N 2.79Å; S205-R207 VanDerWaalsContact O-N 3.09Å |
| 208 | A | 87.1 | Confident | 79 | Confident | 85 Ų | 85 | 129.5 Ų | 129.5 | 70% | 0.702 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 140.1 | 180 | 0 | 0 | 0 | 0 | 0 | 111 | K206 T210 | K206-A208 PolarHBondContact O-N 3.4Å; A208-T210 PolarHBondContact O-N 3.48Å |
| 209 | R | 90.6 | Very high | 81.7 | Confident | 246 Ų | 246 | 127 Ų | 127 | 93% | 0.928 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 116.6 | 175.8 | -179 | -176.6 | -70.2 | 176.6 | -2.8 | 108.8 | ||
| 210 | T | 90 | Very high | 83.9 | Confident | 102 Ų | 102 | 118.8 Ų | 118.8 | 63% | 0.626 | 61% | 0.613 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 132 | 169.4 | 52.4 | 0 | 0 | 0 | 0 | 110.1 | A208 | A208-T210 PolarHBondContact O-N 3.48Š|
| 211 | A | 95.4 | Very high | 86 | Confident | 94 Ų | 94 | 114.7 Ų | 114.7 | 78% | 0.777 | 59% | 0.585 | S | S | * | * | P | Polyproline II helix | trans | -83.8 | 163.1 | 165.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 212 | Y | 97.8 | Very high | 88 | Confident | 65 Ų | 65 | 112.3 Ų | 112.3 | 26% | 0.255 | 57% | 0.567 | S | S | . | * | P | Polyproline II helix | trans | -96.2 | 151.1 | 166.8 | -59.4 | -60.4 | 0 | 0 | 0 | 109.3 | L217 L244 Q248 W252 | Y212-L217 HydrophobicContact CD2-CD2 4.17Å; Y212-L217 HydrophobicContact CG-CD2 4.5Å; Y212-L244 HydrophobicContact CD1-CD1 3.83Å; Y212-L244 HydrophobicContact CD1-CD2 3.82Å; Y212-L244 HydrophobicContact CE1-CD1 3.77Å; Y212-L244 HydrophobicContact CE1-CD2 3.77Å; Y212-L244 HydrophobicContact CE1-CG 4.42Å; Y212-Q248 HydrophobicContact CE1-CB 4.29Å; Y212-Q248 HydrophobicContact CE1-CG 4.45Å; Y212-Q248 WeakPolarHBondContact OH-CB 3.36Å; Y212-W252 AromaticContact CE2-CD1 3.75Å |
| 213 | T | 98.1 | Very high | 90.1 | Very high | 70 Ų | 70 | 108.5 Ų | 108.5 | 43% | 0.429 | 54% | 0.539 | S | S | . | . | P | Polyproline II helix | trans | -72.5 | 159.3 | 173.1 | 66.6 | 0 | 0 | 0 | 0 | 111 | T215 Q216 L217 | T213-T215 PolarHBondContact O-N 3.31Å; T213-T215 PolarHBondContact OG1-OG1 3.05Å; T213-Q216 WeakPolarHBondContact O-CB 3.31Å; T213-Q216 PolarHBondContact O-N 2.84Å; T213-Q216 VanDerWaalsContact O-N 3.13Å; T213-Q216 WeakPolarHBondContact OG1-CB 3.5Å; T213-Q216 VanDerWaalsContact OG1-CG 3.27Å; T213-Q216 WeakPolarHBondContact OG1-CG 3.43Å; T213-Q216 PolarHBondContact OG1-N 3.43Å; T213-Q216 VanDerWaalsContact OG1-N 3.1Å; T213-L217 WeakPolarHBondContact O-CG 3.35Å; T213-L217 PolarHBondContact O-N 3.39Å |
| 214 | Q | 98.2 | Very high | 91.9 | Very high | 134 Ų | 134 | 98.8 Ų | 98.8 | 63% | 0.626 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -57.5 | -38.4 | 174.5 | -176 | 59.9 | 16 | 0 | 0 | 112 | L217 I218 | Q214-L217 PolarHBondContact O-N 3.45Å; Q214-I218 HydrophobicContact CG-CD1 4.02Å; Q214-I218 WeakPolarHBondContact O-CG1 3.27Å; Q214-I218 PolarHBondContact O-N 2.77Å |
| 215 | T | 98 | Very high | 93.5 | Very high | 101 Ų | 101 | 97.8 Ų | 97.8 | 62% | 0.62 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -63.7 | -41.7 | 175.2 | 48 | 0 | 0 | 0 | 0 | 113 | T213 L217 I218 E219 | T213-T215 PolarHBondContact O-N 3.31Å; T213-T215 PolarHBondContact OG1-OG1 3.05Å; T215-L217 VanDerWaalsContact C-N 3.33Å; T215-L217 PolarHBondContact O-N 3.17Å; T215-I218 PolarHBondContact O-N 2.93Å; T215-E219 PolarHBondContact O-N 3.39Å |
| 216 | Q | 98.5 | Very high | 94.9 | Very high | 29 Ų | 29 | 101.2 Ų | 101.2 | 14% | 0.136 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -62.8 | -40.4 | 173.5 | -73.9 | 170.4 | -21.4 | 0 | 0 | 111.4 | T213 L220 L242 L244 | T213-Q216 WeakPolarHBondContact O-CB 3.31Å; T213-Q216 PolarHBondContact O-N 2.84Å; T213-Q216 VanDerWaalsContact O-N 3.13Å; T213-Q216 WeakPolarHBondContact OG1-CB 3.5Å; T213-Q216 VanDerWaalsContact OG1-CG 3.27Å; T213-Q216 WeakPolarHBondContact OG1-CG 3.43Å; T213-Q216 PolarHBondContact OG1-N 3.43Å; T213-Q216 VanDerWaalsContact OG1-N 3.1Å; Q216-L220 VanDerWaalsContact O-CB 3.3Å; Q216-L220 WeakPolarHBondContact O-CB 3.34Å; Q216-L220 VanDerWaalsContact O-CD1 3.32Å; Q216-L220 WeakPolarHBondContact O-CD1 3.43Å; Q216-L220 WeakPolarHBondContact O-CG 3.37Å; Q216-L220 PolarHBondContact O-N 3.44Å; Q216-L242 HydrophobicContact CG-CB 4.3Å; Q216-L242 PolarHBondContact NE2-O 3.12Å; Q216-L244 HydrophobicContact CG-CD1 4.47Å |
| 217 | L | 98.4 | Very high | 95.9 | Very high | 58 Ų | 58 | 93.6 Ų | 93.6 | 30% | 0.304 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -67 | -40.2 | 179.2 | -68.5 | 173.8 | 0 | 0 | 0 | 112.6 | Y212 T213 Q214 T215 L220 E221 | Y212-L217 HydrophobicContact CD2-CD2 4.17Å; Y212-L217 HydrophobicContact CG-CD2 4.5Å; T213-L217 WeakPolarHBondContact O-CG 3.35Å; T213-L217 PolarHBondContact O-N 3.39Å; Q214-L217 PolarHBondContact O-N 3.45Å; T215-L217 VanDerWaalsContact C-N 3.33Å; T215-L217 PolarHBondContact O-N 3.17Å; L217-L220 PolarHBondContact O-N 3.42Å; L217-E221 WeakPolarHBondContact O-CG 3.37Å; L217-E221 PolarHBondContact O-N 2.96Å |
| 218 | I | 98.4 | Very high | 96.7 | Very high | 89 Ų | 89 | 84.9 Ų | 84.9 | 46% | 0.456 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -62.1 | -50.9 | 178 | -70.6 | 164.2 | 0 | 0 | 0 | 110.9 | Q214 T215 L220 E221 K222 | Q214-I218 HydrophobicContact CG-CD1 4.02Å; Q214-I218 WeakPolarHBondContact O-CG1 3.27Å; Q214-I218 PolarHBondContact O-N 2.77Å; T215-I218 PolarHBondContact O-N 2.93Å; I218-L220 VanDerWaalsContact C-N 3.34Å; I218-L220 PolarHBondContact O-N 3.06Å; I218-E221 PolarHBondContact O-N 3.27Å; I218-K222 WeakPolarHBondContact O-CB 3.38Å; I218-K222 PolarHBondContact O-N 3.47Å |
| 219 | E | 98.4 | Very high | 97.3 | Very high | 66 Ų | 66 | 88.5 Ų | 88.5 | 31% | 0.308 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -67 | -34.1 | 179.4 | -68.6 | -63.3 | 120.2 | 0 | 0 | 112.3 | T215 K222 E223 L242 | T215-E219 PolarHBondContact O-N 3.39Å; E219-K222 PolarHBondContact O-N 3.13Å; E219-K222 WeakPolarHBondContact OE1-CD 3.31Å; E219-K222 IonicContact OE1-NZ 2.83Å; E219-K222 PolarHBondContact OE1-NZ 3.23Å; E219-K222 WeakPolarHBondContact OE2-CD 3.26Å; E219-K222 IonicContact OE2-NZ 2.77Å; E219-K222 PolarHBondContact OE2-NZ 3.38Å; E219-E223 WeakPolarHBondContact O-CB 3.41Å; E219-E223 VanDerWaalsContact O-CG 3.31Å; E219-E223 WeakPolarHBondContact O-CG 3.38Å; E219-E223 PolarHBondContact O-N 3.11Å; E219-L242 HydrophobicContact CB-CD1 4.19Å; E219-L242 HydrophobicContact CB-CD2 3.72Å; E219-L242 HydrophobicContact CG-CD2 4.1Å |
| 220 | L | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 78.1 Ų | 78.1 | 0% | 0 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -65.4 | -39.7 | 173.4 | -75.3 | 167.2 | 0 | 0 | 0 | 112.9 | Q216 L217 I218 F224 I238 L242 L244 I249 W252 F253 | Q216-L220 VanDerWaalsContact O-CB 3.3Å; Q216-L220 WeakPolarHBondContact O-CB 3.34Å; Q216-L220 VanDerWaalsContact O-CD1 3.32Å; Q216-L220 WeakPolarHBondContact O-CD1 3.43Å; Q216-L220 WeakPolarHBondContact O-CG 3.37Å; Q216-L220 PolarHBondContact O-N 3.44Å; L217-L220 PolarHBondContact O-N 3.42Å; I218-L220 VanDerWaalsContact C-N 3.34Å; I218-L220 PolarHBondContact O-N 3.06Å; L220-F224 WeakPolarHBondContact O-CB 3.38Å; L220-F224 PolarHBondContact O-N 2.62Å; L220-I238 HydrophobicContact CD2-CG2 4.25Å; L220-L242 HydrophobicContact CD1-CD1 4.42Å; L220-L242 HydrophobicContact CD2-CD1 3.93Å; L220-L242 HydrophobicContact CG-CD1 3.7Å; L220-L244 HydrophobicContact CD1-CD1 4.23Å; L220-I249 HydrophobicContact CD2-CD1 3.86Å; L220-W252 VanDerWaalsContact C-CH2 3.41Å; L220-W252 HydrophobicContact CB-CD2 3.93Å; L220-W252 HydrophobicContact CB-CE3 3.97Å; L220-W252 HydrophobicContact CB-CH2 3.73Å; L220-W252 HydrophobicContact CB-CZ2 3.65Å; L220-W252 HydrophobicContact CB-CZ3 3.87Å; L220-W252 HydrophobicContact CD1-CD2 3.97Å; L220-W252 HydrophobicContact CD1-CG 3.9Å; L220-W252 HydrophobicContact CD2-CD2 4.2Å; L220-W252 HydrophobicContact CD2-CE3 4.07Å; L220-W252 HydrophobicContact CG-CD2 4.26Å; L220-W252 HydrophobicContact CG-CE3 4.44Å; L220-W252 VanDerWaalsContact O-CH2 3.23Å; L220-W252 WeakPolarHBondContact O-CH2 3.27Å; L220-W252 VanDerWaalsContact O-CZ3 3.27Å; L220-W252 WeakPolarHBondContact O-CZ3 3.23Å; L220-F253 HydrophobicContact CD2-CE2 3.94Å |
| 221 | E | 98.6 | Very high | 98 | Very high | 51 Ų | 51 | 77 Ų | 77 | 24% | 0.238 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -67.7 | -44.1 | 174.4 | -73 | -71.6 | 162.6 | 0 | 0 | 111.7 | L217 I218 E223 F224 W225 W252 R256 | L217-E221 WeakPolarHBondContact O-CG 3.37Å; L217-E221 PolarHBondContact O-N 2.96Å; I218-E221 PolarHBondContact O-N 3.27Å; E221-E223 PolarHBondContact O-N 2.83Å; E221-F224 WeakPolarHBondContact O-CB 3.5Å; E221-F224 PolarHBondContact O-N 3.16Å; E221-F224 VanDerWaalsContact O-N 3.09Å; E221-W225 PolarHBondContact O-N 3.17Å; E221-W252 HydrophobicContact CG-CH2 4.21Å; E221-W252 HydrophobicContact CG-CZ2 4.1Å; E221-R256 WeakPolarHBondContact OE1-CD 3.42Å; E221-R256 IonicContact OE1-CZ 2.98Å; E221-R256 IonicContact OE1-NE 3.95Å; E221-R256 PolarHBondContact OE1-NE 3.38Å; E221-R256 IonicContact OE1-NH2 3.79Å; E221-R256 IonicContact OE2-CZ 2.82Å; E221-R256 IonicContact OE2-NE 2.69Å; E221-R256 PolarHBondContact OE2-NE 2.97Å; E221-R256 IonicContact OE2-NH2 3.15Å; E221-R256 PolarHBondContact OE2-NH2 3.04Å |
| 222 | K | 98.2 | Very high | 98.1 | Very high | 115 Ų | 115 | 78.7 Ų | 78.7 | 50% | 0.5 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -55.7 | -48.9 | 174.1 | 174.8 | -174.9 | 173.2 | -166.5 | 0 | 111.9 | I218 E219 F224 W225 Y226 | I218-K222 WeakPolarHBondContact O-CB 3.38Å; I218-K222 PolarHBondContact O-N 3.47Å; E219-K222 PolarHBondContact O-N 3.13Å; E219-K222 WeakPolarHBondContact OE1-CD 3.31Å; E219-K222 IonicContact OE1-NZ 2.83Å; E219-K222 PolarHBondContact OE1-NZ 3.23Å; E219-K222 WeakPolarHBondContact OE2-CD 3.26Å; E219-K222 IonicContact OE2-NZ 2.77Å; E219-K222 PolarHBondContact OE2-NZ 3.38Å; K222-F224 VanDerWaalsContact C-N 3.31Å; K222-F224 PolarHBondContact O-N 2.76Å; K222-W225 PolarHBondContact O-N 3.15Å; K222-Y226 PolarHBondContact O-N 2.95Å |
| 223 | E | 98.4 | Very high | 98.1 | Very high | 17 Ų | 17 | 79.8 Ų | 79.8 | 8% | 0.079 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -64.7 | -32.9 | 174.6 | -72.3 | -64.6 | 121.3 | 0 | 0 | 112.9 | E219 E221 Y226 S227 R234 I238 F253 | E219-E223 WeakPolarHBondContact O-CB 3.41Å; E219-E223 VanDerWaalsContact O-CG 3.31Å; E219-E223 WeakPolarHBondContact O-CG 3.38Å; E219-E223 PolarHBondContact O-N 3.11Å; E221-E223 PolarHBondContact O-N 2.83Å; E223-Y226 PolarHBondContact O-N 3.1Å; E223-S227 PolarHBondContact O-N 3.25Å; E223-S227 VanDerWaalsContact O-O 3.09Å; E223-R234 VanDerWaalsContact CD-NH2 3.26Å; E223-R234 IonicContact OE1-CZ 2.73Å; E223-R234 IonicContact OE1-NE 3.63Å; E223-R234 IonicContact OE1-NH2 3.2Å; E223-R234 PolarHBondContact OE1-NH2 3.09Å; E223-R234 IonicContact OE2-CZ 2.79Å; E223-R234 IonicContact OE2-NE 3.76Å; E223-R234 PolarHBondContact OE2-NE 2.72Å; E223-R234 IonicContact OE2-NH2 3.82Å; E223-R234 PolarHBondContact OE2-NH2 3.37Å; E223-I238 HydrophobicContact CB-CD1 4.08Å; E223-I238 HydrophobicContact CG-CD1 3.77Å; E223-I238 HydrophobicContact CG-CG1 4.03Å; E223-I238 WeakPolarHBondContact OE2-CD1 3.39Å; E223-F253 HydrophobicContact CB-CZ 3.89Å |
| 224 | F | 98.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 80 Ų | 80 | 0% | 0 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -68.4 | -35.7 | 175.5 | -174.7 | -97.9 | 0 | 0 | 0 | 113.3 | L220 E221 K222 S227 Q228 W252 F253 R256 R257 F260 | L220-F224 WeakPolarHBondContact O-CB 3.38Å; L220-F224 PolarHBondContact O-N 2.62Å; E221-F224 WeakPolarHBondContact O-CB 3.5Å; E221-F224 PolarHBondContact O-N 3.16Å; E221-F224 VanDerWaalsContact O-N 3.09Å; K222-F224 VanDerWaalsContact C-N 3.31Å; K222-F224 PolarHBondContact O-N 2.76Å; F224-S227 CarbonylContact O-C 3.43Å; F224-S227 VanDerWaalsContact O-C 3.26Å; F224-Q228 HydrophobicContact CD2-CB 4.38Å; F224-Q228 HydrophobicContact CE1-CG 3.99Å; F224-Q228 HydrophobicContact CE2-CB 3.76Å; F224-Q228 HydrophobicContact CE2-CG 4Å; F224-Q228 HydrophobicContact CZ-CB 3.9Å; F224-Q228 HydrophobicContact CZ-CG 3.69Å; F224-Q228 PolarHBondContact O-N 2.93Å; F224-W252 HydrophobicContact CB-CH2 4.09Å; F224-W252 HydrophobicContact CB-CZ3 3.97Å; F224-W252 HydrophobicContact CD2-CZ3 4.39Å; F224-W252 HydrophobicContact CG-CZ3 4.42Å; F224-F253 HydrophobicContact CB-CE1 4.15Å; F224-F253 HydrophobicContact CB-CZ 4.36Å; F224-F253 AromaticContact CD2-CD1 3.92Å; F224-F253 HydrophobicContact CD2-CD1 3.92Å; F224-F253 AromaticContact CD2-CE1 3.92Å; F224-F253 HydrophobicContact CD2-CE1 3.92Å; F224-R256 HydrophobicContact CB-CG 4.26Å; F224-R256 HydrophobicContact CD1-CG 3.67Å; F224-R256 HydrophobicContact CD2-CB 4.03Å; F224-R256 HydrophobicContact CD2-CG 3.47Å; F224-R256 VanDerWaalsContact CD2-CG 3.47Å; F224-R256 HydrophobicContact CE1-CG 3.84Å; F224-R256 HydrophobicContact CE2-CB 4.09Å; F224-R256 HydrophobicContact CE2-CG 3.65Å; F224-R256 HydrophobicContact CG-CB 4.49Å; F224-R256 HydrophobicContact CG-CG 3.49Å; F224-R256 VanDerWaalsContact CG-CG 3.49Å; F224-R256 HydrophobicContact CZ-CG 3.84Å; F224-R257 HydrophobicContact CE2-CG 3.67Å; F224-R257 HydrophobicContact CZ-CG 4.09Å; F224-F260 HydrophobicContact CE1-CB 4.14Å; F224-F260 HydrophobicContact CE1-CD2 4.19Å; F224-F260 HydrophobicContact CE1-CG 4.11Å; F224-F260 HydrophobicContact CZ-CB 3.97Å; F224-F260 HydrophobicContact CZ-CG 4.17Å |
| 225 | W | 97.3 | Very high | 98.1 | Very high | 169 Ų | 169 | 76.3 Ų | 76.3 | 64% | 0.64 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -72.7 | -34.3 | 173.7 | -69.6 | 116.9 | 0 | 0 | 0 | 112.2 | E221 K222 F260 | E221-W225 PolarHBondContact O-N 3.17Å; K222-W225 PolarHBondContact O-N 3.15Å; W225-F260 HydrophobicContact CH2-CE2 4.29Å; W225-F260 HydrophobicContact CZ3-CE2 4.23Å |
| 226 | Y | 97.6 | Very high | 98.1 | Very high | 189 Ų | 189 | 75.6 Ų | 75.6 | 74% | 0.741 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -66.4 | -46.7 | 171.3 | 179.9 | -104.5 | 0 | 0 | 0 | 112.3 | K222 E223 | K222-Y226 PolarHBondContact O-N 2.95Å; E223-Y226 PolarHBondContact O-N 3.1Å |
| 227 | S | 97.4 | Very high | 98.1 | Very high | 43 Ų | 43 | 78.7 Ų | 78.7 | 30% | 0.301 | 36% | 0.361 | S | S | . | . | trans | -152 | 127.9 | 168.5 | 177.6 | 0 | 0 | 0 | 0 | 112.4 | E223 F224 Y229 F253 | E223-S227 PolarHBondContact O-N 3.25Å; E223-S227 VanDerWaalsContact O-O 3.09Å; F224-S227 CarbonylContact O-C 3.43Å; F224-S227 VanDerWaalsContact O-C 3.26Å; S227-Y229 PolarHBondContact O-N 3.47Å; S227-Y229 VanDerWaalsContact O-N 3.07Å; S227-Y229 PolarHBondContact OG-N 3.36Å; S227-Y229 PolarHBondContact OG-O 3.48Å; S227-F253 WeakPolarHBondContact O-CE1 3.42Å | ||
| 228 | Q | 97.6 | Very high | 98.1 | Very high | 60 Ų | 60 | 76.4 Ų | 76.4 | 28% | 0.28 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -69 | -7.9 | 177.3 | -55.8 | -171.4 | 3.2 | 0 | 0 | 113.4 | F224 R257 | F224-Q228 HydrophobicContact CD2-CB 4.38Å; F224-Q228 HydrophobicContact CE1-CG 3.99Å; F224-Q228 HydrophobicContact CE2-CB 3.76Å; F224-Q228 HydrophobicContact CE2-CG 4Å; F224-Q228 HydrophobicContact CZ-CB 3.9Å; F224-Q228 HydrophobicContact CZ-CG 3.69Å; F224-Q228 PolarHBondContact O-N 2.93Å; Q228-R257 WeakPolarHBondContact O-CD 3.43Å; Q228-R257 PolarHBondContact O-NH1 2.94Å |
| 229 | Y | 98.4 | Very high | 98.1 | Very high | 161 Ų | 161 | 72.5 Ų | 72.5 | 63% | 0.631 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -137 | 128.5 | -177.3 | -66.2 | -101.2 | 0 | 0 | 0 | 111.4 | S227 | S227-Y229 PolarHBondContact O-N 3.47Å; S227-Y229 VanDerWaalsContact O-N 3.07Å; S227-Y229 PolarHBondContact OG-N 3.36Å; S227-Y229 PolarHBondContact OG-O 3.48Å |
| 230 | L | 97.6 | Very high | 98.1 | Very high | 28 Ų | 28 | 73.2 Ų | 73.2 | 15% | 0.147 | 34% | 0.343 | C | S | . | . | trans | -102.6 | 120.8 | -177.8 | -65.1 | 179.4 | 0 | 0 | 0 | 113.4 | R234 R235 I238 I249 F253 | L230-R234 HydrophobicContact CD2-CB 4.48Å; L230-R234 HydrophobicContact CD2-CG 3.97Å; L230-R235 HydrophobicContact CB-CB 4.43Å; L230-R235 HydrophobicContact CD1-CG 4.49Å; L230-R235 PolarHBondContact O-NH2 3.36Å; L230-I238 HydrophobicContact CD1-CD1 3.61Å; L230-I238 HydrophobicContact CD2-CD1 3.7Å; L230-I238 HydrophobicContact CG-CD1 4.32Å; L230-I249 HydrophobicContact CD1-CG2 3.47Å; L230-I249 VanDerWaalsContact CD1-CG2 3.47Å; L230-F253 HydrophobicContact CD1-CD1 4.14Å; L230-F253 HydrophobicContact CD1-CD2 3.59Å; L230-F253 HydrophobicContact CD1-CE1 3.97Å; L230-F253 HydrophobicContact CD1-CE2 3.43Å; L230-F253 VanDerWaalsContact CD1-CE2 3.43Å; L230-F253 HydrophobicContact CD1-CG 3.97Å; L230-F253 HydrophobicContact CD1-CZ 3.64Å; L230-F253 HydrophobicContact CD2-CE1 4.04Å; L230-F253 HydrophobicContact CD2-CZ 4.03Å; L230-F253 HydrophobicContact CG-CD1 3.9Å; L230-F253 HydrophobicContact CG-CD2 4.27Å; L230-F253 HydrophobicContact CG-CE1 3.69Å; L230-F253 HydrophobicContact CG-CE2 4.12Å; L230-F253 HydrophobicContact CG-CG 4.19Å; L230-F253 HydrophobicContact CG-CZ 3.83Å | ||
| 231 | C | 97.8 | Very high | 98.1 | Very high | 78 Ų | 78 | 78 Ų | 78 | 53% | 0.527 | 37% | 0.372 | S | S | . | . | trans | -61.1 | 167.3 | 166.1 | 64 | 0 | 0 | 0 | 0 | 112.1 | R235 | C231-R235 WeakPolarHBondContact O-CB 3.47Å; C231-R235 PolarHBondContact O-N 3.12Å | ||
| 232 | R | 97.9 | Very high | 98.1 | Very high | 130 Ų | 130 | 76.5 Ų | 76.5 | 49% | 0.491 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -59.3 | -44.8 | -177.9 | -177.9 | 76 | -173.1 | 91.5 | -17.2 | 113.2 | E246 | R232-E246 IonicContact CZ-OE1 3.21Å; R232-E246 IonicContact CZ-OE2 3.38Å; R232-E246 IonicContact NH1-OE1 2.77Å; R232-E246 PolarHBondContact NH1-OE1 2.75Å; R232-E246 IonicContact NH1-OE2 2.78Å; R232-E246 PolarHBondContact NH1-OE2 2.94Å; R232-E246 IonicContact NH2-OE1 2.78Å; R232-E246 PolarHBondContact NH2-OE1 3.05Å; R232-E246 IonicContact NH2-OE2 3.6Å |
| 233 | P | 98.1 | Very high | 98.1 | Very high | 87 Ų | 87 | 80 Ų | 80 | 57% | 0.565 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -69.3 | -52.1 | -178.1 | -22.2 | 35.5 | 0 | 0 | 0 | 113.7 | R235 I236 E237 | P233-R235 PolarHBondContact O-N 3Å; P233-R235 VanDerWaalsContact O-N 3.12Å; P233-I236 WeakPolarHBondContact O-CA 3.31Å; P233-I236 WeakPolarHBondContact O-CB 3.38Å; P233-I236 PolarHBondContact O-N 2.99Å; P233-E237 PolarHBondContact O-N 2.71Å |
| 234 | R | 98.3 | Very high | 98 | Very high | 75 Ų | 75 | 80 Ų | 80 | 28% | 0.283 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -58.7 | -30.9 | -178.2 | -171.3 | 56.9 | 171.9 | -169.9 | 2.3 | 112.4 | E223 L230 I236 E237 I238 | E223-R234 VanDerWaalsContact CD-NH2 3.26Å; E223-R234 IonicContact OE1-CZ 2.73Å; E223-R234 IonicContact OE1-NE 3.63Å; E223-R234 IonicContact OE1-NH2 3.2Å; E223-R234 PolarHBondContact OE1-NH2 3.09Å; E223-R234 IonicContact OE2-CZ 2.79Å; E223-R234 IonicContact OE2-NE 3.76Å; E223-R234 PolarHBondContact OE2-NE 2.72Å; E223-R234 IonicContact OE2-NH2 3.82Å; E223-R234 PolarHBondContact OE2-NH2 3.37Å; L230-R234 HydrophobicContact CD2-CB 4.48Å; L230-R234 HydrophobicContact CD2-CG 3.97Å; R234-I236 PolarHBondContact O-N 3.05Å; R234-E237 WeakPolarHBondContact CD-OE2 3.4Å; R234-E237 IonicContact CZ-OE1 3.39Å; R234-E237 IonicContact CZ-OE2 2.8Å; R234-E237 IonicContact NE-OE2 3.89Å; R234-E237 IonicContact NH1-OE1 3.66Å; R234-E237 PolarHBondContact NH1-OE1 2.88Å; R234-E237 IonicContact NH1-OE2 2.75Å; R234-E237 PolarHBondContact NH1-OE2 3.22Å; R234-E237 PolarHBondContact O-N 3.02Å; R234-I238 HydrophobicContact CG-CD1 3.88Å; R234-I238 HydrophobicContact CG-CG1 4.35Å; R234-I238 WeakPolarHBondContact O-CD1 3.46Å; R234-I238 VanDerWaalsContact O-CG1 3.26Å; R234-I238 WeakPolarHBondContact O-CG1 3.37Å; R234-I238 PolarHBondContact O-N 3.22Å |
| 235 | R | 98.5 | Very high | 98 | Very high | 56 Ų | 56 | 83.8 Ų | 83.8 | 21% | 0.211 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -64.5 | -34.2 | 173.5 | -161.1 | -170.1 | -47.4 | 139 | 4.9 | 113.7 | L230 C231 P233 A239 E246 I249 | L230-R235 HydrophobicContact CB-CB 4.43Å; L230-R235 HydrophobicContact CD1-CG 4.49Å; L230-R235 PolarHBondContact O-NH2 3.36Å; C231-R235 WeakPolarHBondContact O-CB 3.47Å; C231-R235 PolarHBondContact O-N 3.12Å; P233-R235 PolarHBondContact O-N 3Å; P233-R235 VanDerWaalsContact O-N 3.12Å; R235-A239 WeakPolarHBondContact O-CB 3.44Å; R235-A239 PolarHBondContact O-N 2.88Å; R235-E246 WeakPolarHBondContact CD-OE2 3.26Å; R235-E246 IonicContact NH1-OE2 3.71Å; R235-I249 HydrophobicContact CG-CB 4.18Å; R235-I249 HydrophobicContact CG-CG2 3.89Å |
| 236 | I | 98.5 | Very high | 98.1 | Very high | 86 Ų | 86 | 78.4 Ų | 78.4 | 44% | 0.441 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -68.2 | -47.9 | 174.3 | -58.1 | 167.3 | 0 | 0 | 0 | 109.2 | P233 R234 A239 S240 | P233-I236 WeakPolarHBondContact O-CA 3.31Å; P233-I236 WeakPolarHBondContact O-CB 3.38Å; P233-I236 PolarHBondContact O-N 2.99Å; R234-I236 PolarHBondContact O-N 3.05Å; I236-A239 WeakPolarHBondContact O-CB 3.3Å; I236-A239 PolarHBondContact O-N 3.04Å; I236-A239 VanDerWaalsContact O-N 3.15Å; I236-S240 PolarHBondContact O-N 3.18Å; I236-S240 PolarHBondContact O-OG 3.03Å |
| 237 | E | 98.5 | Very high | 98.1 | Very high | 95 Ų | 95 | 77.1 Ų | 77.1 | 44% | 0.444 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -61.6 | -45.5 | -176.5 | -168.3 | -170.2 | 170.7 | 0 | 0 | 112.7 | P233 R234 S240 T241 | P233-E237 PolarHBondContact O-N 2.71Å; R234-E237 WeakPolarHBondContact CD-OE2 3.4Å; R234-E237 IonicContact CZ-OE1 3.39Å; R234-E237 IonicContact CZ-OE2 2.8Å; R234-E237 IonicContact NE-OE2 3.89Å; R234-E237 IonicContact NH1-OE1 3.66Å; R234-E237 PolarHBondContact NH1-OE1 2.88Å; R234-E237 IonicContact NH1-OE2 2.75Å; R234-E237 PolarHBondContact NH1-OE2 3.22Å; R234-E237 PolarHBondContact O-N 3.02Å; E237-S240 PolarHBondContact O-OG 3.42Å; E237-T241 VanDerWaalsContact O-CB 3.26Å; E237-T241 WeakPolarHBondContact O-CB 3.26Å; E237-T241 PolarHBondContact O-N 3.19Å; E237-T241 PolarHBondContact O-OG1 2.85Å |
| 238 | I | 98.3 | Very high | 98.1 | Very high | 9 Ų | 9 | 77.5 Ų | 77.5 | 5% | 0.046 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -66.2 | -40 | 173.5 | -59.8 | 162.3 | 0 | 0 | 0 | 110.5 | L220 E223 L230 R234 L242 I249 | L220-I238 HydrophobicContact CD2-CG2 4.25Å; E223-I238 HydrophobicContact CB-CD1 4.08Å; E223-I238 HydrophobicContact CG-CD1 3.77Å; E223-I238 HydrophobicContact CG-CG1 4.03Å; E223-I238 WeakPolarHBondContact OE2-CD1 3.39Å; L230-I238 HydrophobicContact CD1-CD1 3.61Å; L230-I238 HydrophobicContact CD2-CD1 3.7Å; L230-I238 HydrophobicContact CG-CD1 4.32Å; R234-I238 HydrophobicContact CG-CD1 3.88Å; R234-I238 HydrophobicContact CG-CG1 4.35Å; R234-I238 WeakPolarHBondContact O-CD1 3.46Å; R234-I238 VanDerWaalsContact O-CG1 3.26Å; R234-I238 WeakPolarHBondContact O-CG1 3.37Å; R234-I238 PolarHBondContact O-N 3.22Å; I238-L242 HydrophobicContact CG2-CD1 3.6Å; I238-L242 HydrophobicContact CG2-CG 4.02Å; I238-L242 VanDerWaalsContact O-CB 3.31Å; I238-L242 WeakPolarHBondContact O-CB 3.48Å; I238-L242 WeakPolarHBondContact O-CG 3.4Å; I238-L242 PolarHBondContact O-N 3.28Å; I238-I249 HydrophobicContact CG2-CD1 3.82Å; I238-I249 HydrophobicContact CG2-CG1 4.49Å; I238-I249 HydrophobicContact CG2-CG2 4.5Å |
| 239 | A | 98.6 | Very high | 98.2 | Very high | 8 Ų | 8 | 74.6 Ų | 74.6 | 7% | 0.066 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -61.7 | -47 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | R235 I236 K243 L244 E246 I249 | R235-A239 WeakPolarHBondContact O-CB 3.44Å; R235-A239 PolarHBondContact O-N 2.88Å; I236-A239 WeakPolarHBondContact O-CB 3.3Å; I236-A239 PolarHBondContact O-N 3.04Å; I236-A239 VanDerWaalsContact O-N 3.15Å; A239-K243 WeakPolarHBondContact O-CA 3.48Å; A239-K243 PolarHBondContact O-N 3.27Å; A239-K243 VanDerWaalsContact O-N 3.1Å; A239-L244 CarbonylContact C-O 3.58Å; A239-L244 WeakPolarHBondContact CA-O 3.22Å; A239-L244 VanDerWaalsContact CB-O 3.26Å; A239-L244 WeakPolarHBondContact CB-O 3.1Å; A239-L244 PolarHBondContact O-N 3.28Å; A239-E246 HydrophobicContact CB-CG 4.08Å; A239-I249 HydrophobicContact CB-CG1 3.98Å |
| 240 | S | 98.2 | Very high | 98.1 | Very high | 81 Ų | 81 | 73.4 Ų | 73.4 | 57% | 0.566 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -65.8 | -47 | 176.7 | 56.6 | 0 | 0 | 0 | 0 | 111.8 | I236 E237 L242 K243 | I236-S240 PolarHBondContact O-N 3.18Å; I236-S240 PolarHBondContact O-OG 3.03Å; E237-S240 PolarHBondContact O-OG 3.42Å; S240-L242 PolarHBondContact O-N 3.35Å; S240-K243 PolarHBondContact O-N 3.22Å |
| 241 | T | 98.1 | Very high | 98.2 | Very high | 99 Ų | 99 | 74.9 Ų | 74.9 | 61% | 0.607 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -61.7 | -46.2 | -178 | -56.9 | 0 | 0 | 0 | 0 | 111.9 | E237 K243 | E237-T241 VanDerWaalsContact O-CB 3.26Å; E237-T241 WeakPolarHBondContact O-CB 3.26Å; E237-T241 PolarHBondContact O-N 3.19Å; E237-T241 PolarHBondContact O-OG1 2.85Å; T241-K243 VanDerWaalsContact C-N 3.31Å; T241-K243 PolarHBondContact O-N 2.88Å |
| 242 | L | 98 | Very high | 98.2 | Very high | 20 Ų | 20 | 72.2 Ų | 72.2 | 11% | 0.105 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -85 | -1.8 | -178.8 | -58.3 | -171 | 0 | 0 | 0 | 113.8 | Q216 E219 L220 I238 S240 L244 | Q216-L242 HydrophobicContact CG-CB 4.3Å; Q216-L242 PolarHBondContact NE2-O 3.12Å; E219-L242 HydrophobicContact CB-CD1 4.19Å; E219-L242 HydrophobicContact CB-CD2 3.72Å; E219-L242 HydrophobicContact CG-CD2 4.1Å; L220-L242 HydrophobicContact CD1-CD1 4.42Å; L220-L242 HydrophobicContact CD2-CD1 3.93Å; L220-L242 HydrophobicContact CG-CD1 3.7Å; I238-L242 HydrophobicContact CG2-CD1 3.6Å; I238-L242 HydrophobicContact CG2-CG 4.02Å; I238-L242 VanDerWaalsContact O-CB 3.31Å; I238-L242 WeakPolarHBondContact O-CB 3.48Å; I238-L242 WeakPolarHBondContact O-CG 3.4Å; I238-L242 PolarHBondContact O-N 3.28Å; S240-L242 PolarHBondContact O-N 3.35Å; L242-L244 VanDerWaalsContact C-N 3.28Å; L242-L244 HydrophobicContact CB-CD1 4.21Å; L242-L244 HydrophobicContact CB-CG 4.17Å; L242-L244 PolarHBondContact O-N 2.78Å |
| 243 | K | 98.1 | Very high | 98.2 | Very high | 189 Ų | 189 | 66.2 Ų | 66.2 | 82% | 0.822 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.2 | 42.4 | -175.3 | -55.9 | 178.7 | -176.8 | 176.6 | 0 | 112.4 | A239 S240 T241 | A239-K243 WeakPolarHBondContact O-CA 3.48Å; A239-K243 PolarHBondContact O-N 3.27Å; A239-K243 VanDerWaalsContact O-N 3.1Å; S240-K243 PolarHBondContact O-N 3.22Å; T241-K243 VanDerWaalsContact C-N 3.31Å; T241-K243 PolarHBondContact O-N 2.88Å |
| 244 | L | 97.7 | Very high | 98.2 | Very high | 18 Ų | 18 | 67 Ų | 67 | 9% | 0.094 | 33% | 0.329 | C | S | . | . | trans | -117.7 | 153.3 | 178.5 | -66.2 | -178.4 | 0 | 0 | 0 | 110.4 | Y212 Q216 L220 A239 L242 Q248 I249 | Y212-L244 HydrophobicContact CD1-CD1 3.83Å; Y212-L244 HydrophobicContact CD1-CD2 3.82Å; Y212-L244 HydrophobicContact CE1-CD1 3.77Å; Y212-L244 HydrophobicContact CE1-CD2 3.77Å; Y212-L244 HydrophobicContact CE1-CG 4.42Å; Q216-L244 HydrophobicContact CG-CD1 4.47Å; L220-L244 HydrophobicContact CD1-CD1 4.23Å; A239-L244 CarbonylContact C-O 3.58Å; A239-L244 WeakPolarHBondContact CA-O 3.22Å; A239-L244 VanDerWaalsContact CB-O 3.26Å; A239-L244 WeakPolarHBondContact CB-O 3.1Å; A239-L244 PolarHBondContact O-N 3.28Å; L242-L244 VanDerWaalsContact C-N 3.28Å; L242-L244 HydrophobicContact CB-CD1 4.21Å; L242-L244 HydrophobicContact CB-CG 4.17Å; L242-L244 PolarHBondContact O-N 2.78Å; L244-Q248 HydrophobicContact CB-CB 4.38Å; L244-I249 HydrophobicContact CB-CD1 3.91Å; L244-I249 HydrophobicContact CB-CG1 4.47Å; L244-I249 HydrophobicContact CD1-CD1 3.9Å | ||
| 245 | T | 98.1 | Very high | 98.2 | Very high | 79 Ų | 79 | 68.2 Ų | 68.2 | 49% | 0.485 | 34% | 0.341 | S | S | . | . | trans | -71.7 | 148.1 | 171.5 | 62.1 | 0 | 0 | 0 | 0 | 110.9 | K247 Q248 I249 | T245-K247 PolarHBondContact O-N 2.78Å; T245-Q248 WeakPolarHBondContact O-CA 3.39Å; T245-Q248 WeakPolarHBondContact O-CB 3.43Å; T245-Q248 PolarHBondContact O-N 2.77Å; T245-Q248 WeakPolarHBondContact OG1-CG 3.4Å; T245-Q248 PolarHBondContact OG1-N 3.41Å; T245-Q248 PolarHBondContact OG1-OE1 3.37Å; T245-I249 PolarHBondContact O-N 2.9Å; T245-I249 VanDerWaalsContact O-N 3.11Å | ||
| 246 | E | 98.4 | Very high | 98.2 | Very high | 55 Ų | 55 | 66.2 Ų | 66.2 | 26% | 0.257 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -51.1 | -32.2 | 171.8 | -74.7 | -158.9 | -125.6 | 0 | 0 | 113.5 | R232 R235 A239 I249 K250 | R232-E246 IonicContact CZ-OE1 3.21Å; R232-E246 IonicContact CZ-OE2 3.38Å; R232-E246 IonicContact NH1-OE1 2.77Å; R232-E246 PolarHBondContact NH1-OE1 2.75Å; R232-E246 IonicContact NH1-OE2 2.78Å; R232-E246 PolarHBondContact NH1-OE2 2.94Å; R232-E246 IonicContact NH2-OE1 2.78Å; R232-E246 PolarHBondContact NH2-OE1 3.05Å; R232-E246 IonicContact NH2-OE2 3.6Å; R235-E246 WeakPolarHBondContact CD-OE2 3.26Å; R235-E246 IonicContact NH1-OE2 3.71Å; A239-E246 HydrophobicContact CB-CG 4.08Å; E246-I249 PolarHBondContact O-N 3.11Å; E246-K250 WeakPolarHBondContact O-CB 3.13Å; E246-K250 PolarHBondContact O-N 3.01Å |
| 247 | K | 97.8 | Very high | 98.2 | Very high | 163 Ų | 163 | 65.2 Ų | 65.2 | 71% | 0.709 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -66.4 | -39.7 | 176.2 | -174 | 168.4 | -177.5 | 166.7 | 0 | 111.8 | T245 V251 | T245-K247 PolarHBondContact O-N 2.78Å; K247-V251 WeakPolarHBondContact O-CB 3.26Å; K247-V251 VanDerWaalsContact O-CG2 3.26Å; K247-V251 WeakPolarHBondContact O-CG2 3.4Å; K247-V251 PolarHBondContact O-N 3.14Å |
| 248 | Q | 98 | Very high | 98.1 | Very high | 50 Ų | 50 | 65 Ų | 65 | 23% | 0.234 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -64.8 | -43.6 | 172.7 | -75.4 | 161.8 | -73.5 | 0 | 0 | 111.1 | Y212 L244 T245 V251 W252 | Y212-Q248 HydrophobicContact CE1-CB 4.29Å; Y212-Q248 HydrophobicContact CE1-CG 4.45Å; Y212-Q248 WeakPolarHBondContact OH-CB 3.36Å; L244-Q248 HydrophobicContact CB-CB 4.38Å; T245-Q248 WeakPolarHBondContact O-CA 3.39Å; T245-Q248 WeakPolarHBondContact O-CB 3.43Å; T245-Q248 PolarHBondContact O-N 2.77Å; T245-Q248 WeakPolarHBondContact OG1-CG 3.4Å; T245-Q248 PolarHBondContact OG1-N 3.41Å; T245-Q248 PolarHBondContact OG1-OE1 3.37Å; Q248-V251 PolarHBondContact O-N 2.91Å; Q248-W252 VanDerWaalsContact O-CB 3.31Å; Q248-W252 WeakPolarHBondContact O-CB 3.35Å; Q248-W252 PolarHBondContact O-N 3.34Å |
| 249 | I | 98.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 69.9 Ų | 69.9 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -59.4 | -51.4 | 174.7 | -54.2 | -56.8 | 0 | 0 | 0 | 110.9 | L220 L230 R235 I238 A239 L244 T245 E246 V251 W252 F253 | L220-I249 HydrophobicContact CD2-CD1 3.86Å; L230-I249 HydrophobicContact CD1-CG2 3.47Å; L230-I249 VanDerWaalsContact CD1-CG2 3.47Å; R235-I249 HydrophobicContact CG-CB 4.18Å; R235-I249 HydrophobicContact CG-CG2 3.89Å; I238-I249 HydrophobicContact CG2-CD1 3.82Å; I238-I249 HydrophobicContact CG2-CG1 4.49Å; I238-I249 HydrophobicContact CG2-CG2 4.5Å; A239-I249 HydrophobicContact CB-CG1 3.98Å; L244-I249 HydrophobicContact CB-CD1 3.91Å; L244-I249 HydrophobicContact CB-CG1 4.47Å; L244-I249 HydrophobicContact CD1-CD1 3.9Å; T245-I249 PolarHBondContact O-N 2.9Å; T245-I249 VanDerWaalsContact O-N 3.11Å; E246-I249 PolarHBondContact O-N 3.11Å; I249-V251 VanDerWaalsContact C-N 3.35Å; I249-V251 PolarHBondContact O-N 3.42Å; I249-W252 PolarHBondContact O-N 2.88Å; I249-F253 HydrophobicContact CG2-CD2 3.99Å; I249-F253 HydrophobicContact CG2-CE2 4.21Å; I249-F253 WeakPolarHBondContact O-CD2 3.5Å; I249-F253 PolarHBondContact O-N 3.32Å |
| 250 | K | 98.1 | Very high | 97.9 | Very high | 135 Ų | 135 | 72.2 Ų | 72.2 | 59% | 0.587 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -56.2 | -45.8 | 178.5 | -176.3 | 177.2 | 178.4 | 178.8 | 0 | 112 | E246 Q254 | E246-K250 WeakPolarHBondContact O-CB 3.13Å; E246-K250 PolarHBondContact O-N 3.01Å; K250-Q254 WeakPolarHBondContact O-CB 3.31Å; K250-Q254 PolarHBondContact O-N 3.34Å |
| 251 | V | 98 | Very high | 97.8 | Very high | 59 Ų | 59 | 73.8 Ų | 73.8 | 36% | 0.358 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -70.7 | -39.2 | 179.6 | 170 | 0 | 0 | 0 | 0 | 112 | K247 Q248 I249 Q254 N255 | K247-V251 WeakPolarHBondContact O-CB 3.26Å; K247-V251 VanDerWaalsContact O-CG2 3.26Å; K247-V251 WeakPolarHBondContact O-CG2 3.4Å; K247-V251 PolarHBondContact O-N 3.14Å; Q248-V251 PolarHBondContact O-N 2.91Å; I249-V251 VanDerWaalsContact C-N 3.35Å; I249-V251 PolarHBondContact O-N 3.42Å; V251-Q254 PolarHBondContact O-N 3.19Å; V251-N255 WeakPolarHBondContact O-CB 3.19Å; V251-N255 VanDerWaalsContact O-CG 3.24Å; V251-N255 PolarHBondContact O-N 2.83Å; V251-N255 PolarHBondContact O-ND2 2.99Å |
| 252 | W | 98.5 | Very high | 97.4 | Very high | 23 Ų | 23 | 78.9 Ų | 78.9 | 9% | 0.087 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -62.8 | -47.5 | 176 | -173.4 | 101.8 | 0 | 0 | 0 | 110.7 | Y212 L220 E221 F224 Q248 I249 Q254 N255 R256 | Y212-W252 AromaticContact CE2-CD1 3.75Å; L220-W252 VanDerWaalsContact C-CH2 3.41Å; L220-W252 HydrophobicContact CB-CD2 3.93Å; L220-W252 HydrophobicContact CB-CE3 3.97Å; L220-W252 HydrophobicContact CB-CH2 3.73Å; L220-W252 HydrophobicContact CB-CZ2 3.65Å; L220-W252 HydrophobicContact CB-CZ3 3.87Å; L220-W252 HydrophobicContact CD1-CD2 3.97Å; L220-W252 HydrophobicContact CD1-CG 3.9Å; L220-W252 HydrophobicContact CD2-CD2 4.2Å; L220-W252 HydrophobicContact CD2-CE3 4.07Å; L220-W252 HydrophobicContact CG-CD2 4.26Å; L220-W252 HydrophobicContact CG-CE3 4.44Å; L220-W252 VanDerWaalsContact O-CH2 3.23Å; L220-W252 WeakPolarHBondContact O-CH2 3.27Å; L220-W252 VanDerWaalsContact O-CZ3 3.27Å; L220-W252 WeakPolarHBondContact O-CZ3 3.23Å; E221-W252 HydrophobicContact CG-CH2 4.21Å; E221-W252 HydrophobicContact CG-CZ2 4.1Å; F224-W252 HydrophobicContact CB-CH2 4.09Å; F224-W252 HydrophobicContact CB-CZ3 3.97Å; F224-W252 HydrophobicContact CD2-CZ3 4.39Å; F224-W252 HydrophobicContact CG-CZ3 4.42Å; Q248-W252 VanDerWaalsContact O-CB 3.31Å; Q248-W252 WeakPolarHBondContact O-CB 3.35Å; Q248-W252 PolarHBondContact O-N 3.34Å; I249-W252 PolarHBondContact O-N 2.88Å; W252-Q254 VanDerWaalsContact C-N 3.33Å; W252-Q254 PolarHBondContact O-N 2.64Å; W252-N255 PolarHBondContact O-N 2.99Å; W252-R256 HydrophobicContact CD2-CB 4.41Å; W252-R256 HydrophobicContact CE3-CB 3.96Å; W252-R256 HydrophobicContact CH2-CB 3.82Å; W252-R256 HydrophobicContact CH2-CG 3.54Å; W252-R256 HydrophobicContact CZ2-CB 4.29Å; W252-R256 HydrophobicContact CZ2-CG 4.22Å; W252-R256 HydrophobicContact CZ3-CB 3.64Å; W252-R256 HydrophobicContact CZ3-CG 3.74Å; W252-R256 WeakPolarHBondContact O-CB 3.46Å; W252-R256 PolarHBondContact O-N 2.98Å |
| 253 | F | 98.7 | Very high | 96.9 | Very high | 4 Ų | 4 | 82.9 Ų | 82.9 | 2% | 0.018 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -62.6 | -37.3 | 177.2 | -91.3 | -100 | 0 | 0 | 0 | 112.8 | L220 E223 F224 S227 L230 I249 R256 R257 | L220-F253 HydrophobicContact CD2-CE2 3.94Å; E223-F253 HydrophobicContact CB-CZ 3.89Å; F224-F253 HydrophobicContact CB-CE1 4.15Å; F224-F253 HydrophobicContact CB-CZ 4.36Å; F224-F253 AromaticContact CD2-CD1 3.92Å; F224-F253 HydrophobicContact CD2-CD1 3.92Å; F224-F253 AromaticContact CD2-CE1 3.92Å; F224-F253 HydrophobicContact CD2-CE1 3.92Å; S227-F253 WeakPolarHBondContact O-CE1 3.42Å; L230-F253 HydrophobicContact CD1-CD1 4.14Å; L230-F253 HydrophobicContact CD1-CD2 3.59Å; L230-F253 HydrophobicContact CD1-CE1 3.97Å; L230-F253 HydrophobicContact CD1-CE2 3.43Å; L230-F253 VanDerWaalsContact CD1-CE2 3.43Å; L230-F253 HydrophobicContact CD1-CG 3.97Å; L230-F253 HydrophobicContact CD1-CZ 3.64Å; L230-F253 HydrophobicContact CD2-CE1 4.04Å; L230-F253 HydrophobicContact CD2-CZ 4.03Å; L230-F253 HydrophobicContact CG-CD1 3.9Å; L230-F253 HydrophobicContact CG-CD2 4.27Å; L230-F253 HydrophobicContact CG-CE1 3.69Å; L230-F253 HydrophobicContact CG-CE2 4.12Å; L230-F253 HydrophobicContact CG-CG 4.19Å; L230-F253 HydrophobicContact CG-CZ 3.83Å; I249-F253 HydrophobicContact CG2-CD2 3.99Å; I249-F253 HydrophobicContact CG2-CE2 4.21Å; I249-F253 WeakPolarHBondContact O-CD2 3.5Å; I249-F253 PolarHBondContact O-N 3.32Å; F253-R256 PolarHBondContact O-N 3.4Å; F253-R257 PolarHBondContact O-N 3.35Å |
| 254 | Q | 98.2 | Very high | 95.8 | Very high | 104 Ų | 104 | 78.6 Ų | 78.6 | 49% | 0.486 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.7 | -48.9 | 173 | -176.5 | 174.4 | 2.9 | 0 | 0 | 111.5 | K250 V251 W252 R256 R257 M258 | K250-Q254 WeakPolarHBondContact O-CB 3.31Å; K250-Q254 PolarHBondContact O-N 3.34Å; V251-Q254 PolarHBondContact O-N 3.19Å; W252-Q254 VanDerWaalsContact C-N 3.33Å; W252-Q254 PolarHBondContact O-N 2.64Å; Q254-R256 VanDerWaalsContact C-N 3.32Å; Q254-R256 PolarHBondContact O-N 3.12Å; Q254-R257 PolarHBondContact O-N 3.3Å; Q254-M258 WeakPolarHBondContact O-CG 3.49Å; Q254-M258 PolarHBondContact O-N 3.34Å; Q254-M258 VanDerWaalsContact O-N 3.08Å |
| 255 | N | 98.3 | Very high | 94.3 | Very high | 100 Ų | 100 | 83.9 Ų | 83.9 | 54% | 0.535 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -63 | -38.1 | 176.8 | -69.7 | -19 | 0 | 0 | 0 | 112 | V251 W252 M258 K259 | V251-N255 WeakPolarHBondContact O-CB 3.19Å; V251-N255 VanDerWaalsContact O-CG 3.24Å; V251-N255 PolarHBondContact O-N 2.83Å; V251-N255 PolarHBondContact O-ND2 2.99Å; W252-N255 PolarHBondContact O-N 2.99Å; N255-M258 PolarHBondContact O-N 2.95Å; N255-K259 PolarHBondContact O-N 3.42Å |
| 256 | R | 98.3 | Very high | 92.6 | Very high | 14 Ų | 14 | 83.8 Ų | 83.8 | 5% | 0.053 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -68.4 | -39.9 | 179.2 | -175.4 | 58.8 | 174.6 | 86.8 | 4.8 | 112.5 | E221 F224 W252 F253 Q254 M258 K259 F260 | E221-R256 WeakPolarHBondContact OE1-CD 3.42Å; E221-R256 IonicContact OE1-CZ 2.98Å; E221-R256 IonicContact OE1-NE 3.95Å; E221-R256 PolarHBondContact OE1-NE 3.38Å; E221-R256 IonicContact OE1-NH2 3.79Å; E221-R256 IonicContact OE2-CZ 2.82Å; E221-R256 IonicContact OE2-NE 2.69Å; E221-R256 PolarHBondContact OE2-NE 2.97Å; E221-R256 IonicContact OE2-NH2 3.15Å; E221-R256 PolarHBondContact OE2-NH2 3.04Å; F224-R256 HydrophobicContact CB-CG 4.26Å; F224-R256 HydrophobicContact CD1-CG 3.67Å; F224-R256 HydrophobicContact CD2-CB 4.03Å; F224-R256 HydrophobicContact CD2-CG 3.47Å; F224-R256 VanDerWaalsContact CD2-CG 3.47Å; F224-R256 HydrophobicContact CE1-CG 3.84Å; F224-R256 HydrophobicContact CE2-CB 4.09Å; F224-R256 HydrophobicContact CE2-CG 3.65Å; F224-R256 HydrophobicContact CG-CB 4.49Å; F224-R256 HydrophobicContact CG-CG 3.49Å; F224-R256 VanDerWaalsContact CG-CG 3.49Å; F224-R256 HydrophobicContact CZ-CG 3.84Å; W252-R256 HydrophobicContact CD2-CB 4.41Å; W252-R256 HydrophobicContact CE3-CB 3.96Å; W252-R256 HydrophobicContact CH2-CB 3.82Å; W252-R256 HydrophobicContact CH2-CG 3.54Å; W252-R256 HydrophobicContact CZ2-CB 4.29Å; W252-R256 HydrophobicContact CZ2-CG 4.22Å; W252-R256 HydrophobicContact CZ3-CB 3.64Å; W252-R256 HydrophobicContact CZ3-CG 3.74Å; W252-R256 WeakPolarHBondContact O-CB 3.46Å; W252-R256 PolarHBondContact O-N 2.98Å; F253-R256 PolarHBondContact O-N 3.4Å; Q254-R256 VanDerWaalsContact C-N 3.32Å; Q254-R256 PolarHBondContact O-N 3.12Å; R256-M258 VanDerWaalsContact C-N 3.34Å; R256-K259 PolarHBondContact O-N 3.45Å; R256-F260 WeakPolarHBondContact O-CB 3.44Å; R256-F260 PolarHBondContact O-N 2.9Å |
| 257 | R | 98 | Very high | 90.7 | Very high | 64 Ų | 64 | 87.1 Ų | 87.1 | 24% | 0.242 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -61.5 | -40.7 | 169.1 | -75 | -166.1 | -63.1 | -79.3 | -3 | 112.1 | F224 Q228 F253 Q254 F260 K261 | F224-R257 HydrophobicContact CE2-CG 3.67Å; F224-R257 HydrophobicContact CZ-CG 4.09Å; Q228-R257 WeakPolarHBondContact O-CD 3.43Å; Q228-R257 PolarHBondContact O-NH1 2.94Å; F253-R257 PolarHBondContact O-N 3.35Å; Q254-R257 PolarHBondContact O-N 3.3Å; R257-F260 PolarHBondContact O-N 2.85Å; R257-K261 PolarHBondContact O-N 3.01Å |
| 258 | M | 97.3 | Very high | 88.5 | Confident | 92 Ų | 92 | 84.6 Ų | 84.6 | 45% | 0.453 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -66.4 | -35.8 | 176.4 | -68.1 | -59.3 | -73.8 | 0 | 0 | 112.7 | Q254 N255 R256 R262 | Q254-M258 WeakPolarHBondContact O-CG 3.49Å; Q254-M258 PolarHBondContact O-N 3.34Å; Q254-M258 VanDerWaalsContact O-N 3.08Å; N255-M258 PolarHBondContact O-N 2.95Å; R256-M258 VanDerWaalsContact C-N 3.34Å; M258-R262 WeakPolarHBondContact O-CG 3.15Å; M258-R262 PolarHBondContact O-N 3.45Å |
| 259 | K | 96.7 | Very high | 86.3 | Confident | 111 Ų | 111 | 89.7 Ų | 89.7 | 48% | 0.483 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -65.4 | -48.4 | 169.9 | -169.6 | -171.2 | 174.5 | -172.8 | 0 | 110.9 | N255 R256 K261 R262 Q263 | N255-K259 PolarHBondContact O-N 3.42Å; R256-K259 PolarHBondContact O-N 3.45Å; K259-K261 PolarHBondContact O-N 3.45Å; K259-R262 CarbonylContact O-C 3.26Å; K259-R262 PolarHBondContact O-N 2.94Å; K259-R262 VanDerWaalsContact O-N 3.09Å; K259-Q263 HydrophobicContact CG-CG 4.37Å; K259-Q263 WeakPolarHBondContact O-CG 3.42Å; K259-Q263 PolarHBondContact O-N 3.31Å |
| 260 | F | 95.7 | Very high | 83.9 | Confident | 57 Ų | 57 | 99.8 Ų | 99.8 | 25% | 0.25 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -58.1 | -45.8 | 179.5 | -173.8 | -111.2 | 0 | 0 | 0 | 112.3 | F224 W225 R256 R257 R262 Q263 K264 | F224-F260 HydrophobicContact CE1-CB 4.14Å; F224-F260 HydrophobicContact CE1-CD2 4.19Å; F224-F260 HydrophobicContact CE1-CG 4.11Å; F224-F260 HydrophobicContact CZ-CB 3.97Å; F224-F260 HydrophobicContact CZ-CG 4.17Å; W225-F260 HydrophobicContact CH2-CE2 4.29Å; W225-F260 HydrophobicContact CZ3-CE2 4.23Å; R256-F260 WeakPolarHBondContact O-CB 3.44Å; R256-F260 PolarHBondContact O-N 2.9Å; R257-F260 PolarHBondContact O-N 2.85Å; F260-R262 VanDerWaalsContact C-N 3.27Å; F260-R262 PolarHBondContact O-N 3.31Å; F260-Q263 PolarHBondContact O-N 3.17Å; F260-K264 PolarHBondContact O-N 3.36Å |
| 261 | K | 94.5 | Very high | 81.8 | Confident | 114 Ų | 114 | 98.4 Ų | 98.4 | 50% | 0.496 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.2 | -35.7 | 176 | -167.6 | 174.2 | 76.4 | 155.8 | 0 | 112.6 | R257 K259 | R257-K261 PolarHBondContact O-N 3.01Å; K259-K261 PolarHBondContact O-N 3.45Å |
| 262 | R | 91.6 | Very high | 79.3 | Confident | 206 Ų | 206 | 101.5 Ų | 101.5 | 78% | 0.777 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -78.3 | -18.2 | 175.6 | -70.8 | 174.3 | 175.2 | -179.8 | -2.1 | 114 | M258 K259 F260 | M258-R262 WeakPolarHBondContact O-CG 3.15Å; M258-R262 PolarHBondContact O-N 3.45Å; K259-R262 CarbonylContact O-C 3.26Å; K259-R262 PolarHBondContact O-N 2.94Å; K259-R262 VanDerWaalsContact O-N 3.09Å; F260-R262 VanDerWaalsContact C-N 3.27Å; F260-R262 PolarHBondContact O-N 3.31Å |
| 263 | Q | 87.3 | Confident | 76.7 | Confident | 104 Ų | 104 | 106.3 Ų | 106.3 | 49% | 0.486 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -86.4 | -13 | 179.3 | -76.9 | 178.9 | -68.6 | 0 | 0 | 113.4 | K259 F260 P265 | K259-Q263 HydrophobicContact CG-CG 4.37Å; K259-Q263 WeakPolarHBondContact O-CG 3.42Å; K259-Q263 PolarHBondContact O-N 3.31Å; F260-Q263 PolarHBondContact O-N 3.17Å; Q263-P265 WeakPolarHBondContact O-CD 3.43Å |
| 264 | K | 74.2 | Confident | 74.2 | Confident | 98 Ų | 98 | 111.4 Ų | 111.4 | 43% | 0.426 | 58% | 0.583 | S | S | . | * | S | Bend | trans | -67.6 | 115.7 | 168.6 | -79.1 | -169.6 | 168.7 | -161.6 | 0 | 110.4 | F260 E267 | F260-K264 PolarHBondContact O-N 3.36Å; K264-E267 VanDerWaalsContact CD-OE2 3.31Å; K264-E267 WeakPolarHBondContact CD-OE2 3.3Å; K264-E267 VanDerWaalsContact NZ-CD 3.31Å; K264-E267 IonicContact NZ-OE1 2.77Å; K264-E267 PolarHBondContact NZ-OE1 3.12Å; K264-E267 IonicContact NZ-OE2 2.71Å; K264-E267 PolarHBondContact NZ-OE2 2.79Å |
| 265 | P | 65.3 | Low | 71.4 | Confident | 129 Ų | 129 | 118.1 Ų | 118.1 | 84% | 0.838 | 61% | 0.605 | S | S | * | * | S | Bend | trans | -74.8 | 132 | 167.2 | -6.7 | 26.3 | 0 | 0 | 0 | 108.9 | Q263 | Q263-P265 WeakPolarHBondContact O-CD 3.43Š|
| 266 | G | 62.5 | Low | 68.8 | Low | 78 Ų | 78 | 115.5 Ų | 115.5 | 80% | 0.804 | 60% | 0.602 | S | S | * | * | S | Bend | trans | 129.3 | -37 | 168 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||
| 267 | E | 58.6 | Low | 66.2 | Low | 125 Ų | 125 | 122.1 Ų | 122.1 | 58% | 0.584 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -102.7 | -3.4 | -162.5 | -68.1 | 170.7 | 179.1 | 0 | 0 | 116 | K264 | K264-E267 VanDerWaalsContact CD-OE2 3.31Å; K264-E267 WeakPolarHBondContact CD-OE2 3.3Å; K264-E267 VanDerWaalsContact NZ-CD 3.31Å; K264-E267 IonicContact NZ-OE1 2.77Å; K264-E267 PolarHBondContact NZ-OE1 3.12Å; K264-E267 IonicContact NZ-OE2 2.71Å; K264-E267 PolarHBondContact NZ-OE2 2.79Å |
| 268 | N | 52.6 | Low | 63.6 | Low | 110 Ų | 110 | 128.1 Ų | 128.1 | 59% | 0.588 | 67% | 0.672 | S | S | * | * | trans | -133.3 | 32.4 | -170.1 | -72.4 | -107.1 | 0 | 0 | 0 | 114.1 | Y270 | N268-Y270 PolarHBondContact O-N 3.14Š| ||
| 269 | L | 51 | Low | 61 | Low | 156 Ų | 156 | 130.3 Ų | 130.3 | 82% | 0.817 | 69% | 0.686 | S | S | * | * | trans | -87.6 | 43.4 | 176.5 | -158.2 | 76 | 0 | 0 | 0 | 113.3 | ||||
| 270 | Y | 49.5 | Very low | 58.4 | Low | 213 Ų | 213 | 130.6 Ų | 130.6 | 84% | 0.835 | 70% | 0.696 | S | S | * | * | trans | -127 | 88.2 | 169.6 | -67.6 | -68.4 | 0 | 0 | 0 | 109.3 | N268 S272 | N268-Y270 PolarHBondContact O-N 3.14Å; Y270-S272 PolarHBondContact O-N 2.85Å | ||
| 271 | P | 53.2 | Low | 55.8 | Low | 105 Ų | 105 | 132.2 Ų | 132.2 | 68% | 0.682 | 72% | 0.715 | S | S | * | * | trans | -63.5 | 119.4 | 162.3 | 28.4 | -31.5 | 0 | 0 | 0 | 107.4 | T273 | P271-T273 PolarHBondContact O-N 3.4Š| ||
| 272 | S | 45 | Very low | 53 | Low | 124 Ų | 124 | 134.7 Ų | 134.7 | 87% | 0.867 | 73% | 0.734 | S | S | * | * | trans | -69.5 | 77.7 | 171.1 | -55 | 0 | 0 | 0 | 0 | 109.6 | Y270 S274 | Y270-S272 PolarHBondContact O-N 2.85Å; S272-S274 PolarHBondContact O-N 3.38Å | ||
| 273 | T | 44.7 | Very low | 50.3 | Low | 124 Ų | 124 | 128.7 Ų | 128.7 | 76% | 0.761 | 74% | 0.736 | S | S | * | * | trans | -60.3 | 108.2 | 164.1 | 46.1 | 0 | 0 | 0 | 0 | 107.3 | P271 Y275 | P271-T273 PolarHBondContact O-N 3.4Å; T273-Y275 PolarHBondContact O-N 3.14Å | ||
| 274 | S | 45 | Very low | 47.9 | Very low | 111 Ų | 111 | 133.3 Ų | 133.3 | 78% | 0.776 | 75% | 0.754 | S | S | * | * | trans | -46.9 | 130.8 | 171.6 | -172.9 | 0 | 0 | 0 | 0 | 109.3 | S272 G276 | S272-S274 PolarHBondContact O-N 3.38Å; S274-G276 PolarHBondContact O-N 2.74Å | ||
| 275 | Y | 41.3 | Very low | 46.2 | Very low | 245 Ų | 245 | 135.3 Ų | 135.3 | 96% | 0.961 | 77% | 0.769 | S | S | * | * | trans | -73.5 | 82.6 | 173.4 | -149.3 | -86 | 0 | 0 | 0 | 107.8 | T273 | T273-Y275 PolarHBondContact O-N 3.14Š| ||
| 276 | G | 43.2 | Very low | 44.8 | Very low | 46 Ų | 46 | 139.7 Ų | 139.7 | 47% | 0.474 | 77% | 0.768 | S | S | . | * | trans | -117.8 | 109.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 110 | S274 M278 | S274-G276 PolarHBondContact O-N 2.74Å; G276-M278 PolarHBondContact O-N 3.26Å | ||
| 277 | D | 42.2 | Very low | 43.3 | Very low | 153 Ų | 153 | 140.8 Ų | 140.8 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | trans | 28.1 | 88.2 | 153.8 | -50.1 | -41.2 | 0 | 0 | 0 | 116.8 | D279 | D277-D279 PolarHBondContact O-N 3.08Š| ||
| 278 | M | 45.3 | Very low | 42.2 | Very low | 189 Ų | 189 | 147 Ų | 147 | 93% | 0.931 | 78% | 0.781 | S | S | * | * | trans | -86.6 | 95.9 | 158.9 | -80.7 | -72.6 | 158.3 | 0 | 0 | 108.8 | G276 | G276-M278 PolarHBondContact O-N 3.26Š| ||
| 279 | D | 42.9 | Very low | 40.9 | Very low | 139 Ų | 139 | 151 Ų | 151 | 74% | 0.743 | 79% | 0.794 | S | S | * | * | trans | -70.8 | 144 | -170.6 | -143 | -30.7 | 0 | 0 | 0 | 113.4 | D277 | D277-D279 PolarHBondContact O-N 3.08Š| ||
| 280 | T | 41.8 | Very low | 40.3 | Very low | 116 Ų | 116 | 148.4 Ų | 148.4 | 71% | 0.712 | 79% | 0.787 | S | S | * | * | trans | 22.7 | 113.8 | 154.2 | -53.9 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 281 | S | 40.3 | Very low | 39.4 | Very low | 92 Ų | 92 | 144.4 Ų | 144.4 | 64% | 0.643 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -27.8 | 144.9 | 166.7 | 59.7 | 0 | 0 | 0 | 0 | 120.4 | ||
| 282 | N | 35.8 | Very low | 38.3 | Very low | 166 Ų | 166 | 150.5 Ų | 150.5 | 89% | 0.888 | 79% | 0.794 | S | S | * | * | trans | 63.9 | 95.1 | 146.3 | -61.6 | -22.9 | 0 | 0 | 0 | 118.8 | ||||
| 283 | G | 35.4 | Very low | 37.6 | Very low | 79 Ų | 79 | 149.6 Ų | 149.6 | 81% | 0.814 | 79% | 0.787 | S | S | * | * | trans | -156.2 | 77.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 284 | F | 35.7 | Very low | 36.9 | Very low | 201 Ų | 201 | 151.8 Ų | 151.8 | 88% | 0.882 | 79% | 0.788 | S | S | * | * | trans | -32.2 | 150.4 | 169.4 | -95.8 | -96.9 | 0 | 0 | 0 | 118.6 | ||||
| 285 | I | 39.2 | Very low | 36.2 | Very low | 141 Ų | 141 | 153.5 Ų | 153.5 | 72% | 0.723 | 79% | 0.788 | S | S | * | * | trans | 103.5 | 116.4 | 149.3 | -56.5 | -120 | 0 | 0 | 0 | 120.2 | ||||
| 286 | R | 35.9 | Very low | 35.6 | Very low | 221 Ų | 221 | 147.2 Ų | 147.2 | 83% | 0.834 | 78% | 0.78 | S | S | * | * | trans | 55.3 | 98.7 | 150.1 | -70.9 | 172.9 | 175.8 | -162.9 | -2.3 | 122 | ||||
| 287 | S | 30.3 | Very low | 35 | Very low | 100 Ų | 100 | 152.3 Ų | 152.3 | 70% | 0.699 | 80% | 0.795 | S | S | * | * | 19.9 | 116 | 117.4 | 63.5 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 288 | R | 35.6 | Very low | 34.4 | Very low | 255 Ų | 255 | 152 Ų | 152 | 96% | 0.962 | 79% | 0.794 | S | S | * | * | trans | -152.5 | 106.2 | 133.3 | -128.1 | 176.9 | -175 | -176.4 | 0.7 | 112.6 | ||||
| 289 | F | 25.9 | Very low | 33.6 | Very low | 195 Ų | 195 | 146.5 Ų | 146.5 | 86% | 0.855 | 79% | 0.785 | S | S | * | * | trans | -67.2 | 178.8 | 162.3 | -75.5 | -77.8 | 0 | 0 | 0 | 110.9 | ||||
| 290 | P | 37.9 | Very low | 32.8 | Very low | 102 Ų | 102 | 147.4 Ų | 147.4 | 66% | 0.662 | 79% | 0.788 | S | S | * | * | cis | -143.2 | -162.6 | 16.2 | 31.4 | -4.9 | 0 | 0 | 0 | 116.7 | ||||
| 291 | T | 31.5 | Very low | 32 | Very low | 128 Ų | 128 | 150.5 Ų | 150.5 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | trans | 84.2 | 142.6 | 161.8 | 71.8 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 292 | R | 28.6 | Very low | 31.4 | Very low | 233 Ų | 233 | 154 Ų | 154 | 88% | 0.879 | 80% | 0.804 | S | S | * | * | cis | -176.2 | 142.6 | -11.4 | 171.2 | -178.6 | -166.5 | -171.8 | 5.2 | 104.7 | ||||
| 293 | C | 30.5 | Very low | 31 | Very low | 106 Ų | 106 | 151.7 Ų | 151.7 | 72% | 0.716 | 80% | 0.796 | S | S | * | * | cis | -140.4 | 154.2 | 28.7 | 33.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 294 | H | 30.6 | Very low | 30.7 | Very low | 169 Ų | 169 | 157.1 Ų | 157.1 | 78% | 0.782 | 80% | 0.801 | S | S | * | * | 59.4 | 126.2 | 66.7 | -78.4 | -90.3 | 0 | 0 | 0 | 113.6 | |||||
| 295 | N | 30.1 | Very low | 30.4 | Very low | 147 Ų | 147 | 151.5 Ų | 151.5 | 79% | 0.786 | 79% | 0.792 | S | S | * | * | cis | -130.3 | 159.3 | 20.4 | -70.8 | -41.8 | 0 | 0 | 0 | 114.8 | ||||
| 296 | S | 28.7 | Very low | 29.9 | Very low | 113 Ų | 113 | 152 Ų | 152 | 79% | 0.79 | 80% | 0.795 | S | S | * | * | trans | -97.4 | 160.2 | 158.6 | -57.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 297 | I | 30.3 | Very low | 29.5 | Very low | 153 Ų | 153 | 146.2 Ų | 146.2 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | trans | -154.5 | 125.6 | 139.7 | -100.5 | 152.4 | 0 | 0 | 0 | 105.9 | ||||
| 298 | D | 30.4 | Very low | 29.3 | Very low | 148 Ų | 148 | 147.4 Ų | 147.4 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | trans | 26.5 | 127.9 | 153.9 | -40.4 | -36.9 | 0 | 0 | 0 | 118.6 | ||||
| 299 | G | 27.3 | Very low | 28.9 | Very low | 72 Ų | 72 | 142 Ų | 142 | 74% | 0.742 | 78% | 0.781 | S | S | * | * | 96 | 126.9 | 51.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | |||||
| 300 | I | 27.1 | Very low | 28.8 | Very low | 159 Ų | 159 | 142 Ų | 142 | 82% | 0.815 | 78% | 0.775 | S | S | * | * | cis | -148.6 | 153.4 | 29.5 | -75.8 | 156.4 | 0 | 0 | 0 | 110 | L302 | I300-L302 HydrophobicContact CG2-CG 4.18Š| ||
| 301 | H | 24.1 | Very low | 28.2 | Very low | 181 Ų | 181 | 145.4 Ų | 145.4 | 84% | 0.838 | 78% | 0.78 | S | S | * | * | trans | -94 | 137.4 | 162.7 | -96.3 | -97.3 | 0 | 0 | 0 | 110.8 | ||||
| 302 | L | 28.1 | Very low | 28 | Very low | 164 Ų | 164 | 146.2 Ų | 146.2 | 86% | 0.859 | 78% | 0.78 | S | S | * | * | trans | -140.7 | 155.1 | 160.5 | -76.7 | 179.4 | 0 | 0 | 0 | 110.4 | I300 | I300-L302 HydrophobicContact CG2-CG 4.18Š| ||
| 303 | T | 27.6 | Very low | 28 | Very low | 118 Ų | 118 | 143.2 Ų | 143.2 | 72% | 0.724 | 78% | 0.775 | S | S | * | * | trans | -130.8 | 132.6 | -166.1 | 48.6 | 0 | 0 | 0 | 0 | 113 | ||||
| 304 | E | 28.7 | Very low | 27.8 | Very low | 194 Ų | 194 | 145.5 Ų | 145.5 | 91% | 0.907 | 78% | 0.781 | S | S | * | * | trans | 62.3 | 158.6 | 154.4 | -61.7 | -169.2 | 131.2 | 0 | 0 | 121.3 | ||||
| 305 | A | 30.7 | Very low | 27.8 | Very low | 83 Ų | 83 | 143 Ų | 143 | 69% | 0.686 | 78% | 0.782 | S | S | * | * | trans | 73.3 | 94.4 | 164.6 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 306 | N | 28.9 | Very low | 27.7 | Very low | 150 Ų | 150 | 145 Ų | 145 | 80% | 0.802 | 78% | 0.784 | S | S | * | * | 72.5 | 108.8 | 125.3 | -60.9 | -9.9 | 0 | 0 | 0 | 122.2 | |||||
| 307 | S | 27.7 | Very low | 27.6 | Very low | 101 Ų | 101 | 146.2 Ų | 146.2 | 71% | 0.706 | 79% | 0.787 | S | S | * | * | 81.1 | 102.3 | 121.2 | -55 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 308 | T | 26 | Very low | 27.4 | Very low | 124 Ų | 124 | 143.4 Ų | 143.4 | 76% | 0.761 | 78% | 0.776 | S | S | * | * | trans | 73.6 | 122.5 | 137 | -30.3 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 309 | I | 25.3 | Very low | 27.3 | Very low | 142 Ų | 142 | 145.4 Ų | 145.4 | 73% | 0.728 | 78% | 0.781 | S | S | * | * | 173.3 | 115.9 | 114.7 | -88.3 | 171.1 | 0 | 0 | 0 | 114.5 | |||||
| 310 | W | 24.5 | Very low | 27.3 | Very low | 195 Ų | 195 | 150.7 Ų | 150.7 | 74% | 0.739 | 78% | 0.779 | S | S | * | * | trans | 55.8 | 149.8 | 142.7 | -59.7 | 51.7 | 0 | 0 | 0 | 125.3 | ||||
| 311 | F | 24.6 | Very low | 27.3 | Very low | 173 Ų | 173 | 151.4 Ų | 151.4 | 76% | 0.759 | 79% | 0.785 | S | S | * | * | trans | 67.3 | 156.8 | 159.5 | -60.3 | -58.8 | 0 | 0 | 0 | 118 | ||||
| 312 | N | 28.6 | Very low | 27.5 | Very low | 145 Ų | 145 | 148.5 Ų | 148.5 | 78% | 0.775 | 78% | 0.78 | S | S | * | * | cis | -142.2 | 173.2 | -0.4 | -148.2 | -19.9 | 0 | 0 | 0 | 111.6 | ||||
| 313 | H | 27.7 | Very low | 27.4 | Very low | 170 Ų | 170 | 146 Ų | 146 | 79% | 0.787 | 78% | 0.776 | S | S | * | * | trans | -73.2 | 164.8 | -177.9 | -98.5 | -109.2 | 0 | 0 | 0 | 115.6 | ||||
| 314 | N | 26.9 | Very low | 27.4 | Very low | 155 Ų | 155 | 149.6 Ų | 149.6 | 83% | 0.829 | 78% | 0.781 | S | S | * | * | trans | 76.3 | 54.3 | 163.2 | -68.6 | -3.6 | 0 | 0 | 0 | 119.6 | ||||
| 315 | S | 29.7 | Very low | 27.3 | Very low | 116 Ų | 116 | 145.3 Ų | 145.3 | 81% | 0.811 | 77% | 0.771 | S | S | * | * | trans | -155 | 162.7 | 139 | 66.3 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 316 | K | 28.6 | Very low | 27.2 | Very low | 190 Ų | 190 | 146.2 Ų | 146.2 | 83% | 0.826 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -51.5 | 151.8 | -171.6 | -61.5 | 159.4 | 179.4 | 172.1 | 0 | 114.8 | ||
| 317 | T | 25.9 | Very low | 27.2 | Very low | 138 Ų | 138 | 145.7 Ų | 145.7 | 85% | 0.847 | 76% | 0.761 | S | S | * | * | trans | 51.9 | 92.3 | 160 | 51.1 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 318 | V | 27.5 | Very low | 27.2 | Very low | 94 Ų | 94 | 148.5 Ų | 148.5 | 57% | 0.57 | 77% | 0.768 | S | S | * | * | trans | -101.1 | 112.8 | 163.8 | -172 | 0 | 0 | 0 | 0 | 109.1 | Y320 | V318-Y320 HydrophobicContact CB-CD2 4.29Å; V318-Y320 HydrophobicContact CB-CE2 3.78Å; V318-Y320 HydrophobicContact CG1-CD1 4.3Å; V318-Y320 HydrophobicContact CG1-CD2 3.92Å; V318-Y320 HydrophobicContact CG1-CE1 3.9Å; V318-Y320 HydrophobicContact CG1-CE2 3.48Å; V318-Y320 VanDerWaalsContact CG1-CE2 3.48Å; V318-Y320 HydrophobicContact CG1-CG 4.32Å; V318-Y320 VanDerWaalsContact CG1-CZ 3.47Å; V318-Y320 PolarHBondContact O-N 3.48Å | ||
| 319 | E | 27.2 | Very low | 27.4 | Very low | 189 Ų | 189 | 149.4 Ų | 149.4 | 88% | 0.883 | 77% | 0.767 | S | S | * | * | trans | -76 | 117.7 | 167.1 | -66.2 | -174.5 | 130.8 | 0 | 0 | 109.1 | ||||
| 320 | Y | 28.2 | Very low | 27.4 | Very low | 183 Ų | 183 | 150.8 Ų | 150.8 | 72% | 0.718 | 77% | 0.77 | S | S | * | * | trans | -103.1 | 120.9 | 172.3 | -72.6 | -75.3 | 0 | 0 | 0 | 110.1 | V318 T322 | V318-Y320 HydrophobicContact CB-CD2 4.29Å; V318-Y320 HydrophobicContact CB-CE2 3.78Å; V318-Y320 HydrophobicContact CG1-CD1 4.3Å; V318-Y320 HydrophobicContact CG1-CD2 3.92Å; V318-Y320 HydrophobicContact CG1-CE1 3.9Å; V318-Y320 HydrophobicContact CG1-CE2 3.48Å; V318-Y320 VanDerWaalsContact CG1-CE2 3.48Å; V318-Y320 HydrophobicContact CG1-CG 4.32Å; V318-Y320 VanDerWaalsContact CG1-CZ 3.47Å; V318-Y320 PolarHBondContact O-N 3.48Å; Y320-T322 PolarHBondContact O-N 3Å | ||
| 321 | N | 26.8 | Very low | 27.5 | Very low | 175 Ų | 175 | 149 Ų | 149 | 94% | 0.936 | 77% | 0.774 | S | S | * | * | trans | -61.9 | 105.6 | 173.9 | -73.5 | -51.2 | 0 | 0 | 0 | 110.3 | ||||
| 322 | T | 28.6 | Very low | 27.8 | Very low | 120 Ų | 120 | 145.6 Ų | 145.6 | 74% | 0.736 | 77% | 0.767 | S | S | * | * | trans | -89.5 | 120.9 | -178.9 | 38 | 0 | 0 | 0 | 0 | 111.6 | Y320 | Y320-T322 PolarHBondContact O-N 3Š| ||
| 323 | C | 25.2 | Very low | 27.9 | Very low | 112 Ų | 112 | 146 Ų | 146 | 76% | 0.757 | 77% | 0.769 | S | S | * | * | trans | -68.7 | 143 | 174.4 | -170.9 | 0 | 0 | 0 | 0 | 110.8 | C325 | C323-C325 PolarHBondContact O-N 3.08Š| ||
| 324 | K | 27.9 | Very low | 28.2 | Very low | 193 Ų | 193 | 146 Ų | 146 | 84% | 0.839 | 77% | 0.767 | S | S | * | * | trans | -96.5 | 59.7 | -172.5 | -160.3 | 177.2 | -175.5 | 175.8 | 0 | 112.7 | ||||
| 325 | C | 26.4 | Very low | 28.4 | Very low | 103 Ų | 103 | 148.8 Ų | 148.8 | 70% | 0.696 | 77% | 0.767 | S | S | * | * | trans | -70.6 | 136.5 | 173.7 | -60.4 | 0 | 0 | 0 | 0 | 110.9 | C323 | C323-C325 PolarHBondContact O-N 3.08Š| ||
| 326 | I | 28.2 | Very low | 28.4 | Very low | 102 Ų | 102 | 151.3 Ų | 151.3 | 52% | 0.523 | 77% | 0.772 | S | S | . | * | trans | -122.5 | 133 | 174.2 | -78.1 | 177.6 | 0 | 0 | 0 | 108.3 | N328 | I326-N328 PolarHBondContact O-N 2.93Š| ||
| 327 | N | 29.7 | Very low | 28.4 | Very low | 140 Ų | 140 | 148.4 Ų | 148.4 | 75% | 0.749 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 64.8 | 15.3 | 167 | -60.5 | -2.9 | 0 | 0 | 0 | 119.4 | L329 | N327-L329 VanDerWaalsContact O-CD1 3.29Å; N327-L329 WeakPolarHBondContact O-CD1 3.19Å; N327-L329 PolarHBondContact O-N 3.08Å |
| 328 | N | 28.5 | Very low | 28.6 | Very low | 160 Ų | 160 | 150.7 Ų | 150.7 | 86% | 0.856 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 52.6 | 22.3 | 167.9 | -69.6 | 0.6 | 0 | 0 | 0 | 116.9 | I326 | I326-N328 PolarHBondContact O-N 2.93Š|
| 329 | L | 30.1 | Very low | 28.5 | Very low | 143 Ų | 143 | 150.7 Ų | 150.7 | 75% | 0.749 | 77% | 0.773 | S | S | * | * | trans | -109.2 | 112.2 | 173.2 | -94.2 | 71.6 | 0 | 0 | 0 | 109.6 | N327 I331 | N327-L329 VanDerWaalsContact O-CD1 3.29Å; N327-L329 WeakPolarHBondContact O-CD1 3.19Å; N327-L329 PolarHBondContact O-N 3.08Å; L329-I331 PolarHBondContact O-N 3.44Å | ||
| 330 | E | 25.2 | Very low | 28.5 | Very low | 170 Ų | 170 | 147.8 Ų | 147.8 | 79% | 0.794 | 77% | 0.772 | S | S | * | * | trans | -67.1 | 113 | 156.1 | -78.9 | -171.1 | 133.8 | 0 | 0 | 108.7 | T332 | E330-T332 VanDerWaalsContact C-N 3.25Å; E330-T332 HydrophobicContact CB-CG2 4.18Å; E330-T332 PolarHBondContact O-N 2.78Å | ||
| 331 | I | 26.9 | Very low | 28.5 | Very low | 159 Ų | 159 | 144.2 Ų | 144.2 | 82% | 0.815 | 77% | 0.774 | S | S | * | * | trans | -90.8 | 74.9 | 157.2 | -54.7 | 178.9 | 0 | 0 | 0 | 105.7 | L329 | L329-I331 PolarHBondContact O-N 3.44Š| ||
| 332 | T | 29.6 | Very low | 28.8 | Very low | 101 Ų | 101 | 142.9 Ų | 142.9 | 62% | 0.62 | 77% | 0.767 | S | S | * | * | trans | -72.9 | 132.2 | 173.4 | 29.8 | 0 | 0 | 0 | 0 | 109.9 | E330 K334 | E330-T332 VanDerWaalsContact C-N 3.25Å; E330-T332 HydrophobicContact CB-CG2 4.18Å; E330-T332 PolarHBondContact O-N 2.78Å; T332-K334 PolarHBondContact O-N 2.77Å | ||
| 333 | D | 30.7 | Very low | 28.7 | Very low | 152 Ų | 152 | 146 Ų | 146 | 81% | 0.813 | 77% | 0.771 | S | S | * | * | trans | -65.3 | 128.6 | 176.4 | -97.3 | -55.3 | 0 | 0 | 0 | 111 | ||||
| 334 | K | 34.8 | Very low | 28.9 | Very low | 170 Ų | 170 | 148.7 Ų | 148.7 | 74% | 0.739 | 78% | 0.776 | S | S | * | * | S | Bend | trans | 7.6 | 117.8 | 161.7 | -64.5 | 176.4 | 179.1 | 169.8 | 0 | 117.6 | T332 | T332-K334 PolarHBondContact O-N 2.77Š|
| 335 | Y | 30.5 | Very low | 28.8 | Very low | 214 Ų | 214 | 145.1 Ų | 145.1 | 84% | 0.839 | 77% | 0.766 | S | S | * | * | trans | 74.8 | 78.1 | 164.7 | -44 | -74.2 | 0 | 0 | 0 | 116.4 | ||||
| 336 | D | 30.5 | Very low | 28.7 | Very low | 169 Ų | 169 | 147.6 Ų | 147.6 | 90% | 0.904 | 77% | 0.773 | S | S | * | * | -164.5 | 148.9 | 104 | -108.3 | -28.9 | 0 | 0 | 0 | 112.3 | |||||
| 337 | T | 28.9 | Very low | 28.6 | Very low | 129 Ų | 129 | 149.2 Ų | 149.2 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | trans | -123.5 | 98.9 | -176.5 | 55.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 338 | Q | 28.5 | Very low | 28.5 | Very low | 186 Ų | 186 | 145.8 Ų | 145.8 | 87% | 0.869 | 78% | 0.775 | S | S | * | * | trans | -144.8 | 147.2 | 156.5 | -88.9 | -60.5 | -68.7 | 0 | 0 | 110.1 | ||||
| 339 | P | 26.5 | Very low | 28.4 | Very low | 94 Ų | 94 | 146 Ų | 146 | 61% | 0.61 | 77% | 0.774 | S | S | * | * | trans | -101.2 | 138.3 | -164.1 | 36.7 | -32.7 | 0 | 0 | 0 | 115.2 | S341 | P339-S341 PolarHBondContact O-N 3Å; P339-S341 VanDerWaalsContact O-N 3.14Å | ||
| 340 | C | 26.6 | Very low | 28.2 | Very low | 128 Ų | 128 | 148 Ų | 148 | 87% | 0.865 | 78% | 0.777 | S | S | * | * | trans | -80.4 | 85.9 | 167.1 | -73.8 | 0 | 0 | 0 | 0 | 111.4 | N342 | C340-N342 PolarHBondContact O-N 3.17Š| ||
| 341 | S | 28.4 | Very low | 28.3 | Very low | 109 Ų | 109 | 144.2 Ų | 144.2 | 76% | 0.762 | 76% | 0.762 | S | S | * | * | trans | -69.7 | 79.1 | 178 | -63.8 | 0 | 0 | 0 | 0 | 113.6 | P339 | P339-S341 PolarHBondContact O-N 3Å; P339-S341 VanDerWaalsContact O-N 3.14Å | ||
| 342 | N | 33.2 | Very low | 28.4 | Very low | 147 Ų | 147 | 145.4 Ų | 145.4 | 79% | 0.786 | 76% | 0.763 | S | S | * | * | trans | -128.3 | 111 | 167.8 | -84.3 | -39.2 | 0 | 0 | 0 | 110.4 | C340 L344 | C340-N342 PolarHBondContact O-N 3.17Å; N342-L344 PolarHBondContact O-N 3.44Å | ||
| 343 | K | 27.4 | Very low | 28.7 | Very low | 185 Ų | 185 | 145.7 Ų | 145.7 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | trans | -72.3 | 121.9 | 167.8 | -77.1 | -170.6 | 171.9 | -165.6 | 0 | 109.7 | ||||
| 344 | L | 28.3 | Very low | 29 | Very low | 168 Ų | 168 | 143.2 Ų | 143.2 | 88% | 0.88 | 74% | 0.744 | S | S | * | * | trans | -121.8 | 96.1 | 161.1 | -84.9 | 164.7 | 0 | 0 | 0 | 107.7 | N342 | N342-L344 PolarHBondContact O-N 3.44Š| ||
| 345 | D | 26.1 | Very low | 29.5 | Very low | 118 Ų | 118 | 139.5 Ų | 139.5 | 63% | 0.631 | 73% | 0.732 | S | S | * | * | trans | -76.7 | 139.6 | 174.4 | -62.2 | -52.7 | 0 | 0 | 0 | 110 | ||||
| 346 | N | 24.4 | Very low | 30.3 | Very low | 155 Ų | 155 | 133.5 Ų | 133.5 | 83% | 0.829 | 71% | 0.711 | S | S | * | * | S | Bend | trans | 54.6 | 75.7 | 157.6 | -56.8 | -27 | 0 | 0 | 0 | 119.1 | ||
| 347 | T | 26.6 | Very low | 31.6 | Very low | 137 Ų | 137 | 129.2 Ų | 129.2 | 84% | 0.84 | 69% | 0.692 | S | S | * | * | trans | -176.8 | 155.9 | 151.1 | 25.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 348 | S | 27.2 | Very low | 33.2 | Very low | 68 Ų | 68 | 127.2 Ų | 127.2 | 48% | 0.476 | 68% | 0.675 | S | S | . | * | cis | -163.8 | 131.4 | -11.6 | 41.4 | 0 | 0 | 0 | 0 | 108.4 | F350 | S348-F350 PolarHBondContact O-N 3.43Å; S348-F350 WeakPolarHBondContact OG-CE2 3.49Å | ||
| 349 | I | 25.6 | Very low | 34.5 | Very low | 165 Ų | 165 | 124.1 Ų | 124.1 | 85% | 0.846 | 66% | 0.659 | S | S | * | * | trans | -90 | 98.7 | 177 | -59.2 | 177.5 | 0 | 0 | 0 | 109.3 | I351 | I349-I351 HydrophobicContact CG2-CG1 4.47Å; I349-I351 PolarHBondContact O-N 3.07Å | ||
| 350 | F | 26.1 | Very low | 35.7 | Very low | 183 Ų | 183 | 122.9 Ų | 122.9 | 80% | 0.803 | 65% | 0.65 | S | S | * | * | trans | -78.7 | 108.7 | 175.9 | -70.9 | -73.9 | 0 | 0 | 0 | 111.4 | S348 | S348-F350 PolarHBondContact O-N 3.43Å; S348-F350 WeakPolarHBondContact OG-CE2 3.49Å | ||
| 351 | I | 27.2 | Very low | 37.5 | Very low | 92 Ų | 92 | 119.3 Ų | 119.3 | 47% | 0.472 | 62% | 0.622 | S | S | . | * | trans | -92.5 | 130.3 | 164.3 | -54.5 | 175.1 | 0 | 0 | 0 | 107.7 | I349 H353 L387 | I349-I351 HydrophobicContact CG2-CG1 4.47Å; I349-I351 PolarHBondContact O-N 3.07Å; I351-H353 WeakPolarHBondContact CG2-NE2 3.45Å; I351-H353 PolarHBondContact O-N 2.96Å; I351-L387 HydrophobicContact CD1-CD1 4.39Å | ||
| 352 | H | 28.5 | Very low | 39 | Very low | 184 Ų | 184 | 122.1 Ų | 122.1 | 85% | 0.852 | 63% | 0.628 | S | S | * | * | trans | -68.6 | 90.9 | 174.6 | -104.2 | -88.9 | 0 | 0 | 0 | 110.6 | ||||
| 353 | H | 36 | Very low | 40.4 | Very low | 106 Ų | 106 | 121 Ų | 121 | 49% | 0.491 | 62% | 0.622 | S | S | . | * | trans | -131.7 | 140.7 | 171.7 | -70.8 | -16.5 | 0 | 0 | 0 | 108.8 | I351 L355 L371 | I351-H353 WeakPolarHBondContact CG2-NE2 3.45Å; I351-H353 PolarHBondContact O-N 2.96Å; H353-L355 VanDerWaalsContact C-N 3.34Å; H353-L355 HydrophobicContact CB-CG 4.17Å; H353-L355 PolarHBondContact O-N 2.89Å; H353-L371 HydrophobicContact CB-CD1 3.89Å | ||
| 354 | D | 38.9 | Very low | 41.5 | Very low | 101 Ų | 101 | 118.7 Ų | 118.7 | 54% | 0.54 | 62% | 0.619 | S | S | . | * | trans | -66.3 | 96 | 169.3 | -72.9 | -46.6 | 0 | 0 | 0 | 108.4 | K372 | D354-K372 HydrophobicContact CB-CB 3.69Å; D354-K372 HydrophobicContact CB-CD 4.49Å; D354-K372 WeakPolarHBondContact O-CB 3.4Å; D354-K372 PolarHBondContact O-N 2.99Å | ||
| 355 | L | 43.6 | Very low | 42.4 | Very low | 91 Ų | 91 | 116.3 Ų | 116.3 | 48% | 0.476 | 60% | 0.603 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -101 | 121.2 | 179.6 | -71.4 | 172.2 | 0 | 0 | 0 | 110.6 | H353 C369 K370 L371 | H353-L355 VanDerWaalsContact C-N 3.34Å; H353-L355 HydrophobicContact CB-CG 4.17Å; H353-L355 PolarHBondContact O-N 2.89Å; L355-C369 HydrophobicContact CB-CB 4.4Å; L355-C369 HydrophobicContact CD2-CB 4.42Å; L355-K370 CarbonylContact C-O 3.47Å; L355-K370 WeakPolarHBondContact CA-O 2.98Å; L355-L371 HydrophobicContact CD2-CD1 3.95Å |
| 356 | E | 48.4 | Very low | 43.4 | Very low | 88 Ų | 88 | 115.3 Ų | 115.3 | 41% | 0.411 | 60% | 0.597 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -92.6 | 126.3 | 172.1 | -179.1 | 162.7 | -105.8 | 0 | 0 | 108.9 | I358 C369 K370 K372 | E356-I358 PolarHBondContact O-N 3.04Å; E356-C369 CarbonylContact O-C 3.56Å; E356-C369 WeakPolarHBondContact O-CA 3.42Å; E356-C369 WeakPolarHBondContact O-CB 3.31Å; E356-K370 HydrophobicContact CB-CB 4.38Å; E356-K370 PolarHBondContact N-O 2.86Å; E356-K370 PolarHBondContact O-N 3.39Å; E356-K372 HydrophobicContact CB-CG 4.49Å |
| 357 | T | 57.1 | Low | 45 | Very low | 80 Ų | 80 | 112.4 Ų | 112.4 | 49% | 0.491 | 59% | 0.585 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -73.8 | 119.9 | -179.7 | -56.6 | 0 | 0 | 0 | 0 | 109.3 | T360 L366 | T357-T360 HydrophobicContact CG2-CG2 4.27Å; T357-L366 HydrophobicContact CG2-CD1 3.86Å; T357-L366 HydrophobicContact CG2-CG 4.15Å; T357-L366 WeakPolarHBondContact OG1-CD1 3.37Å |
| 358 | I | 62.9 | Low | 46.1 | Very low | 86 Ų | 86 | 110 Ų | 110 | 44% | 0.441 | 56% | 0.564 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -86.3 | -41.7 | 173.7 | -57.4 | 178.4 | 0 | 0 | 0 | 109.6 | E356 E368 K370 | E356-I358 PolarHBondContact O-N 3.04Å; I358-E368 HydrophobicContact CB-CB 4.05Å; I358-E368 HydrophobicContact CB-CG 4Å; I358-E368 HydrophobicContact CD1-CG 4.08Å; I358-E368 HydrophobicContact CG2-CG 4.26Å; I358-E368 PolarHBondContact N-O 3.12Å; I358-K370 HydrophobicContact CD1-CB 3.82Å; I358-K370 HydrophobicContact CD1-CG 4.31Å; I358-K370 HydrophobicContact CG1-CB 3.95Å |
| 359 | K | 56.3 | Low | 47.1 | Very low | 122 Ų | 122 | 109 Ų | 109 | 53% | 0.53 | 56% | 0.557 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -154.5 | 136.6 | -169.1 | -145.2 | 171.8 | -171.2 | 173.2 | 0 | 113.1 | V367 E368 | K359-V367 PolarHBondContact O-N 3.07Å; K359-E368 HydrophobicContact CB-CB 3.62Å; K359-E368 PolarHBondContact N-O 2.97Å; K359-E368 PolarHBondContact O-N 3.22Å; K359-E368 VanDerWaalsContact O-N 3.09Å |
| 360 | T | 51.6 | Low | 47.9 | Very low | 68 Ų | 68 | 105.5 Ų | 105.5 | 42% | 0.417 | 54% | 0.535 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 162.7 | 164.3 | 49.1 | 0 | 0 | 0 | 0 | 110.6 | T357 Q365 | T357-T360 HydrophobicContact CG2-CG2 4.27Å; T360-Q365 CarbonylContact C-O 3.51Å; T360-Q365 WeakPolarHBondContact CA-O 3.2Å |
| 361 | N | 63.1 | Low | 48.6 | Very low | 52 Ų | 52 | 101 Ų | 101 | 28% | 0.278 | 52% | 0.519 | S | S | . | . | trans | -89.2 | 178.4 | 163.6 | 68.9 | 17.1 | 0 | 0 | 0 | 110.9 | N363 D364 Q365 V367 | N361-N363 PolarHBondContact O-N 2.83Å; N361-N363 WeakPolarHBondContact OD1-CA 3.18Å; N361-N363 WeakPolarHBondContact OD1-CB 3.49Å; N361-N363 PolarHBondContact OD1-N 3.31Å; N361-D364 PolarHBondContact O-N 3.1Å; N361-Q365 PolarHBondContact N-O 3.12Å; N361-Q365 PolarHBondContact ND2-OE1 3.22Å; N361-Q365 WeakPolarHBondContact OD1-CB 3.46Å; N361-Q365 PolarHBondContact OD1-N 3.48Å; N361-Q365 VanDerWaalsContact OD1-N 3.12Å; N361-V367 HydrophobicContact CB-CG2 3.7Å | ||
| 362 | N | 60.9 | Low | 49.5 | Very low | 169 Ų | 169 | 102 Ų | 102 | 90% | 0.904 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -4 | -179.7 | -59.3 | 4.3 | 0 | 0 | 0 | 114.6 | ||
| 363 | N | 62.8 | Low | 50 | Low | 122 Ų | 122 | 99.7 Ų | 99.7 | 65% | 0.652 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.1 | 19.8 | 178 | -57.2 | -9.7 | 0 | 0 | 0 | 111.5 | N361 Q365 | N361-N363 PolarHBondContact O-N 2.83Å; N361-N363 WeakPolarHBondContact OD1-CA 3.18Å; N361-N363 WeakPolarHBondContact OD1-CB 3.49Å; N361-N363 PolarHBondContact OD1-N 3.31Å; N363-Q365 HydrophobicContact CB-CG 4.28Å; N363-Q365 PolarHBondContact O-N 2.93Å |
| 364 | D | 49.2 | Very low | 50 | Low | 138 Ų | 138 | 100.5 Ų | 100.5 | 74% | 0.738 | 52% | 0.518 | S | S | * | . | S | Bend | trans | 55.8 | 13.3 | -174 | -69 | -43.5 | 0 | 0 | 0 | 115.7 | N361 | N361-D364 PolarHBondContact O-N 3.1Š|
| 365 | Q | 48.1 | Very low | 49.5 | Very low | 117 Ų | 117 | 100.7 Ų | 100.7 | 55% | 0.547 | 53% | 0.527 | S | S | . | . | trans | -74.3 | 132.4 | 173.7 | -57.2 | 173.8 | -35.4 | 0 | 0 | 109.3 | T360 N361 N363 V367 | T360-Q365 CarbonylContact C-O 3.51Å; T360-Q365 WeakPolarHBondContact CA-O 3.2Å; N361-Q365 PolarHBondContact N-O 3.12Å; N361-Q365 PolarHBondContact ND2-OE1 3.22Å; N361-Q365 WeakPolarHBondContact OD1-CB 3.46Å; N361-Q365 PolarHBondContact OD1-N 3.48Å; N361-Q365 VanDerWaalsContact OD1-N 3.12Å; N363-Q365 HydrophobicContact CB-CG 4.28Å; N363-Q365 PolarHBondContact O-N 2.93Å; Q365-V367 PolarHBondContact O-N 3.1Å | ||
| 366 | L | 47.2 | Very low | 48.9 | Very low | 98 Ų | 98 | 104.1 Ų | 104.1 | 51% | 0.513 | 55% | 0.546 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 114.4 | 178.2 | -173.9 | 146.4 | 0 | 0 | 0 | 110 | T357 C369 | T357-L366 HydrophobicContact CG2-CD1 3.86Å; T357-L366 HydrophobicContact CG2-CG 4.15Å; T357-L366 WeakPolarHBondContact OG1-CD1 3.37Å; L366-C369 HydrophobicContact CD1-CB 4.46Å; L366-C369 HydrophobicContact CD2-CB 4.01Å |
| 367 | V | 58.6 | Low | 47.8 | Very low | 94 Ų | 94 | 104.9 Ų | 104.9 | 57% | 0.57 | 56% | 0.561 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -94.6 | -34.8 | 179.9 | 174.9 | 0 | 0 | 0 | 0 | 110.9 | K359 N361 Q365 | K359-V367 PolarHBondContact O-N 3.07Å; N361-V367 HydrophobicContact CB-CG2 3.7Å; Q365-V367 PolarHBondContact O-N 3.1Å |
| 368 | E | 48.3 | Very low | 46.4 | Very low | 86 Ų | 86 | 110 Ų | 110 | 40% | 0.402 | 57% | 0.573 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -147.7 | 132.6 | -168.6 | -158.1 | -171.8 | 160.6 | 0 | 0 | 110.5 | I358 K359 | I358-E368 HydrophobicContact CB-CB 4.05Å; I358-E368 HydrophobicContact CB-CG 4Å; I358-E368 HydrophobicContact CD1-CG 4.08Å; I358-E368 HydrophobicContact CG2-CG 4.26Å; I358-E368 PolarHBondContact N-O 3.12Å; K359-E368 HydrophobicContact CB-CB 3.62Å; K359-E368 PolarHBondContact N-O 2.97Å; K359-E368 PolarHBondContact O-N 3.22Å; K359-E368 VanDerWaalsContact O-N 3.09Å |
| 369 | C | 49.2 | Very low | 44.9 | Very low | 47 Ų | 47 | 111 Ų | 111 | 32% | 0.318 | 58% | 0.579 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -143.8 | 152.6 | 176.9 | 57.8 | 0 | 0 | 0 | 0 | 112.4 | L355 E356 L366 | L355-C369 HydrophobicContact CB-CB 4.4Å; L355-C369 HydrophobicContact CD2-CB 4.42Å; E356-C369 CarbonylContact O-C 3.56Å; E356-C369 WeakPolarHBondContact O-CA 3.42Å; E356-C369 WeakPolarHBondContact O-CB 3.31Å; L366-C369 HydrophobicContact CD1-CB 4.46Å; L366-C369 HydrophobicContact CD2-CB 4.01Å |
| 370 | K | 41.4 | Very low | 43.8 | Very low | 92 Ų | 92 | 111.2 Ų | 111.2 | 40% | 0.4 | 58% | 0.579 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -111 | 145.5 | -179.2 | -152.8 | -178.3 | 174 | -175.1 | 0 | 110.3 | L355 E356 I358 K372 | L355-K370 CarbonylContact C-O 3.47Å; L355-K370 WeakPolarHBondContact CA-O 2.98Å; E356-K370 HydrophobicContact CB-CB 4.38Å; E356-K370 PolarHBondContact N-O 2.86Å; E356-K370 PolarHBondContact O-N 3.39Å; I358-K370 HydrophobicContact CD1-CB 3.82Å; I358-K370 HydrophobicContact CD1-CG 4.31Å; I358-K370 HydrophobicContact CG1-CB 3.95Å; K370-K372 PolarHBondContact O-N 2.73Å |
| 371 | L | 41.1 | Very low | 42.7 | Very low | 88 Ų | 88 | 117.4 Ų | 117.4 | 46% | 0.461 | 60% | 0.597 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -67.3 | 129.6 | 160.1 | -128 | 84.7 | 0 | 0 | 0 | 109.3 | H353 L355 Q373 | H353-L371 HydrophobicContact CB-CD1 3.89Å; L355-L371 HydrophobicContact CD2-CD1 3.95Å; L371-Q373 PolarHBondContact O-N 2.94Å |
| 372 | K | 45.8 | Very low | 41.1 | Very low | 112 Ų | 112 | 121.1 Ų | 121.1 | 49% | 0.487 | 62% | 0.616 | S | S | . | * | trans | -69.2 | 122.3 | 173.2 | -133.4 | 169.5 | -169.6 | 172.3 | 0 | 108.8 | D354 E356 K370 N374 | D354-K372 HydrophobicContact CB-CB 3.69Å; D354-K372 HydrophobicContact CB-CD 4.49Å; D354-K372 WeakPolarHBondContact O-CB 3.4Å; D354-K372 PolarHBondContact O-N 2.99Å; E356-K372 HydrophobicContact CB-CG 4.49Å; K370-K372 PolarHBondContact O-N 2.73Å; K372-N374 VanDerWaalsContact C-N 3.3Å; K372-N374 PolarHBondContact O-N 3.43Å | ||
| 373 | Q | 40 | Very low | 39.8 | Very low | 137 Ų | 137 | 117.6 Ų | 117.6 | 64% | 0.64 | 60% | 0.6 | S | S | * | * | trans | -78.7 | 72.3 | -167.9 | -72.3 | -176.2 | -28.2 | 0 | 0 | 113.3 | L371 S375 | L371-Q373 PolarHBondContact O-N 2.94Å; Q373-S375 PolarHBondContact O-N 3.47Å | ||
| 374 | N | 35.3 | Very low | 38.4 | Very low | 123 Ų | 123 | 118.8 Ų | 118.8 | 66% | 0.658 | 61% | 0.607 | S | S | * | * | S | Bend | trans | -78.1 | 72.2 | 162.3 | -73.6 | -24 | 0 | 0 | 0 | 110.1 | K372 D376 | K372-N374 VanDerWaalsContact C-N 3.3Å; K372-N374 PolarHBondContact O-N 3.43Å; N374-D376 PolarHBondContact O-N 3.43Å |
| 375 | S | 29.2 | Very low | 37.8 | Very low | 105 Ų | 105 | 119.8 Ų | 119.8 | 73% | 0.734 | 61% | 0.612 | S | S | * | * | S | Bend | trans | 42.1 | 63.3 | 163.1 | 66.5 | 0 | 0 | 0 | 0 | 117.7 | Q373 | Q373-S375 PolarHBondContact O-N 3.47Š|
| 376 | D | 30.2 | Very low | 36.9 | Very low | 162 Ų | 162 | 121.2 Ų | 121.2 | 87% | 0.866 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -172 | 148.2 | 130.9 | -95.6 | -21.6 | 0 | 0 | 0 | 110.4 | N374 Y378 | N374-D376 PolarHBondContact O-N 3.43Å; D376-Y378 PolarHBondContact O-N 3.41Å |
| 377 | S | 26.3 | Very low | 36.1 | Very low | 104 Ų | 104 | 121.8 Ų | 121.8 | 73% | 0.727 | 62% | 0.621 | S | S | * | * | trans | -90.8 | 101.5 | -162 | 58.6 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 378 | Y | 27.1 | Very low | 34.7 | Very low | 189 Ų | 189 | 123.6 Ų | 123.6 | 74% | 0.741 | 63% | 0.628 | S | S | * | * | trans | -132 | 101.2 | 159.3 | -86.1 | -85.1 | 0 | 0 | 0 | 111.1 | D376 K380 | D376-Y378 PolarHBondContact O-N 3.41Å; Y378-K380 PolarHBondContact O-N 3.09Å | ||
| 379 | N | 30.4 | Very low | 33.9 | Very low | 107 Ų | 107 | 124.6 Ų | 124.6 | 57% | 0.572 | 64% | 0.641 | S | S | * | * | trans | -81.1 | 113 | 168.2 | -68.2 | -22.8 | 0 | 0 | 0 | 108.8 | ||||
| 380 | K | 34.7 | Very low | 33.1 | Very low | 125 Ų | 125 | 126.6 Ų | 126.6 | 54% | 0.543 | 65% | 0.652 | S | S | . | * | trans | -106.3 | 128.5 | 161.4 | -78.3 | -167.7 | 171.6 | -169.5 | 0 | 109.2 | Y378 L387 | Y378-K380 PolarHBondContact O-N 3.09Å; K380-L387 HydrophobicContact CD-CD2 3.92Å; K380-L387 VanDerWaalsContact NZ-CD2 3.32Å | ||
| 381 | Y | 27.7 | Very low | 32.6 | Very low | 198 Ų | 198 | 128.9 Ų | 128.9 | 78% | 0.776 | 67% | 0.669 | S | S | * | * | trans | -90.1 | 130.8 | 169.3 | -62.3 | -81.7 | 0 | 0 | 0 | 108.7 | ||||
| 382 | L | 29 | Very low | 32.1 | Very low | 130 Ų | 130 | 132.1 Ų | 132.1 | 68% | 0.681 | 69% | 0.687 | S | S | * | * | trans | -83.8 | 131.9 | 164.1 | -102.7 | 86.8 | 0 | 0 | 0 | 109 | ||||
| 383 | V | 34.1 | Very low | 31.1 | Very low | 95 Ų | 95 | 133.1 Ų | 133.1 | 58% | 0.576 | 71% | 0.706 | S | S | * | * | B | Isolated β-bridge | trans | -135.9 | 129.4 | 165.2 | -179.3 | 0 | 0 | 0 | 0 | 107.1 | N385 E386 | V383-N385 VanDerWaalsContact C-N 3.29Å; V383-N385 PolarHBondContact O-N 2.88Å; V383-N385 VanDerWaalsContact O-N 3.1Å; V383-E386 PolarHBondContact O-N 3.3Å |
| 384 | N | 34.4 | Very low | 30.5 | Very low | 148 Ų | 148 | 131.3 Ų | 131.3 | 79% | 0.791 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 50.8 | 36.7 | 170.6 | -56.9 | -12.3 | 0 | 0 | 0 | 116.3 | E386 | N384-E386 PolarHBondContact O-N 3.44Å; N384-E386 VanDerWaalsContact O-N 3.12Å |
| 385 | N | 35.5 | Very low | 30.1 | Very low | 158 Ų | 158 | 134.4 Ų | 134.4 | 85% | 0.845 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 62.2 | 5.2 | 179.5 | -65 | -21.1 | 0 | 0 | 0 | 117 | V383 | V383-N385 VanDerWaalsContact C-N 3.29Å; V383-N385 PolarHBondContact O-N 2.88Å; V383-N385 VanDerWaalsContact O-N 3.1Å |
| 386 | E | 29.6 | Very low | 30 | Very low | 148 Ų | 148 | 136.8 Ų | 136.8 | 69% | 0.692 | 72% | 0.721 | S | S | * | * | B | Isolated β-bridge | trans | -101.6 | 139.3 | 177.8 | -67.9 | -165.7 | 137.9 | 0 | 0 | 112.6 | V383 N384 L388 | V383-E386 PolarHBondContact O-N 3.3Å; N384-E386 PolarHBondContact O-N 3.44Å; N384-E386 VanDerWaalsContact O-N 3.12Å; E386-L388 PolarHBondContact O-N 3.11Å |
| 387 | L | 30.4 | Very low | 29.7 | Very low | 109 Ų | 109 | 136.9 Ų | 136.9 | 57% | 0.571 | 72% | 0.72 | S | S | * | * | trans | -105.6 | 68.5 | -169 | -129.6 | 168.3 | 0 | 0 | 0 | 110.8 | I351 K380 | I351-L387 HydrophobicContact CD1-CD1 4.39Å; K380-L387 HydrophobicContact CD-CD2 3.92Å; K380-L387 VanDerWaalsContact NZ-CD2 3.32Å | ||
| 388 | L | 28.6 | Very low | 29.8 | Very low | 133 Ų | 133 | 140.4 Ų | 140.4 | 70% | 0.696 | 73% | 0.725 | S | S | * | * | trans | -62.3 | 143.9 | -178.5 | -76.5 | 167.2 | 0 | 0 | 0 | 112.9 | E386 | E386-L388 PolarHBondContact O-N 3.11Š| ||
| 389 | P | 32.6 | Very low | 29.5 | Very low | 107 Ų | 107 | 136.6 Ų | 136.6 | 70% | 0.695 | 73% | 0.725 | S | S | * | * | trans | -67.6 | 131 | 169.3 | -17 | 31.3 | 0 | 0 | 0 | 111.4 | D391 | P389-D391 PolarHBondContact O-N 3.26Š| ||
| 390 | T | 31 | Very low | 29.3 | Very low | 89 Ų | 89 | 139.2 Ų | 139.2 | 55% | 0.546 | 74% | 0.739 | S | S | . | * | trans | -91.9 | 82 | 177 | 52.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 391 | D | 32 | Very low | 28.9 | Very low | 139 Ų | 139 | 141 Ų | 141 | 74% | 0.743 | 75% | 0.749 | S | S | * | * | trans | -79.5 | 134.8 | 170 | -81 | -37.7 | 0 | 0 | 0 | 111.8 | P389 | P389-D391 PolarHBondContact O-N 3.26Š| ||
| 392 | N | 30.2 | Very low | 28.8 | Very low | 157 Ų | 157 | 138.7 Ų | 138.7 | 84% | 0.84 | 75% | 0.746 | S | S | * | * | trans | 53 | 59.4 | 158.4 | -62.6 | -36.9 | 0 | 0 | 0 | 119.2 | S394 | N392-S394 PolarHBondContact O-N 3.07Å; N392-S394 VanDerWaalsContact O-N 3.13Å | ||
| 393 | C | 24.3 | Very low | 28.7 | Very low | 132 Ų | 132 | 140.7 Ų | 140.7 | 89% | 0.892 | 75% | 0.749 | S | S | * | * | trans | -79.3 | 84.1 | 156.4 | -169.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 394 | S | 27.3 | Very low | 28.3 | Very low | 100 Ų | 100 | 141.6 Ų | 141.6 | 70% | 0.699 | 76% | 0.755 | S | S | * | * | trans | -160.7 | 107.8 | 167.2 | -87.8 | 0 | 0 | 0 | 0 | 113.4 | N392 | N392-S394 PolarHBondContact O-N 3.07Å; N392-S394 VanDerWaalsContact O-N 3.13Å | ||
| 395 | K | 27.5 | Very low | 27.8 | Very low | 187 Ų | 187 | 139.6 Ų | 139.6 | 81% | 0.813 | 75% | 0.753 | S | S | * | * | trans | 62.2 | 101 | 163.6 | -50 | 171.6 | -172.7 | 174.1 | 0 | 114.1 | ||||
| 396 | N | 27.5 | Very low | 27.4 | Very low | 155 Ų | 155 | 142.3 Ų | 142.3 | 83% | 0.829 | 76% | 0.757 | S | S | * | * | -170.3 | 171.1 | 70.5 | -85.4 | -40 | 0 | 0 | 0 | 112.2 | |||||
| 397 | L | 23.7 | Very low | 27.4 | Very low | 164 Ų | 164 | 141.9 Ų | 141.9 | 86% | 0.859 | 76% | 0.76 | S | S | * | * | trans | -79.3 | 121.5 | 167.9 | -67.4 | 72.1 | 0 | 0 | 0 | 110.4 | ||||
| 398 | H | 27.3 | Very low | 27.2 | Very low | 178 Ų | 178 | 142.3 Ų | 142.3 | 82% | 0.824 | 77% | 0.769 | S | S | * | * | -161.5 | 153.4 | 112.2 | -131.5 | 63.6 | 0 | 0 | 0 | 110.1 | |||||
| 399 | C | 22.3 | Very low | 27.1 | Very low | 109 Ų | 109 | 143.2 Ų | 143.2 | 74% | 0.736 | 77% | 0.774 | S | S | * | * | trans | -90.8 | 139.1 | 161.9 | -59 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 400 | D | 25.4 | Very low | 26.8 | Very low | 162 Ų | 162 | 144.5 Ų | 144.5 | 87% | 0.866 | 78% | 0.78 | S | S | * | * | -162.4 | 168.8 | 128.3 | -101.2 | -22.4 | 0 | 0 | 0 | 109.6 | |||||
| 401 | E | 25.7 | Very low | 26.5 | Very low | 164 Ų | 164 | 151.8 Ų | 151.8 | 77% | 0.766 | 80% | 0.799 | S | S | * | * | trans | -90.1 | 177.1 | -156.4 | -60.2 | -177.3 | 139 | 0 | 0 | 115.8 | ||||
| 402 | Q | 26.5 | Very low | 26.2 | Very low | 149 Ų | 149 | 150.3 Ų | 150.3 | 70% | 0.696 | 80% | 0.8 | S | S | * | * | trans | 92.2 | 150.4 | 152.2 | -39.3 | -167.6 | 3.7 | 0 | 0 | 119 | ||||
| 403 | F | 27.3 | Very low | 26 | Very low | 172 Ų | 172 | 151.9 Ų | 151.9 | 75% | 0.754 | 80% | 0.799 | S | S | * | * | trans | 68.3 | 73.1 | 170.7 | -61.2 | -73.2 | 0 | 0 | 0 | 120.2 | ||||
| 404 | T | 25 | Very low | 26.2 | Very low | 113 Ų | 113 | 155 Ų | 155 | 69% | 0.693 | 80% | 0.8 | S | S | * | * | 33.2 | 125.4 | 118.7 | 58.2 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 405 | S | 24.7 | Very low | 26.1 | Very low | 107 Ų | 107 | 158 Ų | 158 | 75% | 0.748 | 81% | 0.806 | S | S | * | * | trans | 57.3 | 97.1 | 147.6 | 62.7 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 406 | F | 27.5 | Very low | 26.1 | Very low | 215 Ų | 215 | 157.3 Ų | 157.3 | 94% | 0.943 | 81% | 0.806 | S | S | * | * | trans | -137.9 | 151.3 | 150.2 | -107.2 | -82.5 | 0 | 0 | 0 | 112.1 | ||||
| 407 | N | 28 | Very low | 26.2 | Very low | 139 Ų | 139 | 155.8 Ų | 155.8 | 74% | 0.743 | 80% | 0.796 | S | S | * | * | trans | -106.8 | 119.9 | -165.2 | -159.5 | 1.2 | 0 | 0 | 0 | 110.6 | L409 | N407-L409 PolarHBondContact O-N 3.3Š| ||
| 408 | P | 27.3 | Very low | 26.5 | Very low | 118 Ų | 118 | 156 Ų | 156 | 77% | 0.766 | 80% | 0.795 | S | S | * | * | trans | -89.3 | 88.1 | -166.3 | 33.8 | -35.3 | 0 | 0 | 0 | 113.8 | ||||
| 409 | L | 25.2 | Very low | 26.4 | Very low | 151 Ų | 151 | 154.8 Ų | 154.8 | 79% | 0.791 | 79% | 0.794 | S | S | * | * | trans | -138.3 | 51.2 | 175.9 | -80.7 | -178.5 | 0 | 0 | 0 | 115.5 | N407 | N407-L409 PolarHBondContact O-N 3.3Š| ||
| 410 | T | 27.4 | Very low | 26.9 | Very low | 135 Ų | 135 | 158.7 Ų | 158.7 | 83% | 0.828 | 80% | 0.802 | S | S | * | * | trans | -162.2 | 103.8 | 158.9 | 27.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 411 | Y | 25.1 | Very low | 27 | Very low | 242 Ų | 242 | 159.1 Ų | 159.1 | 95% | 0.949 | 80% | 0.799 | S | S | * | * | trans | -160.7 | 94.7 | 150.2 | -133.8 | -86.8 | 0 | 0 | 0 | 113.7 | ||||
| 412 | S | 24.4 | Very low | 27.4 | Very low | 108 Ų | 108 | 156.5 Ų | 156.5 | 76% | 0.755 | 80% | 0.796 | S | S | * | * | trans | -160.8 | 147.6 | 158.9 | -150.3 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 413 | K | 27.4 | Very low | 27.5 | Very low | 190 Ų | 190 | 155.9 Ų | 155.9 | 83% | 0.826 | 80% | 0.798 | S | S | * | * | trans | 62.6 | 92.7 | 171.1 | -59 | 178.9 | -178.3 | 176.2 | 0 | 117.2 | ||||
| 414 | H | 27.1 | Very low | 27.7 | Very low | 197 Ų | 197 | 158.9 Ų | 158.9 | 91% | 0.912 | 81% | 0.806 | S | S | * | * | trans | -140.4 | 83.7 | 138.1 | -111.2 | 66.8 | 0 | 0 | 0 | 110.5 | ||||
| 415 | I | 25.4 | Very low | 27.7 | Very low | 163 Ų | 163 | 160.8 Ų | 160.8 | 84% | 0.836 | 81% | 0.811 | S | S | * | * | trans | -140.2 | 114.6 | 159.7 | -62 | -177.3 | 0 | 0 | 0 | 106.9 | ||||
| 416 | H | 28.9 | Very low | 28 | Very low | 173 Ų | 173 | 162.9 Ų | 162.9 | 80% | 0.801 | 81% | 0.808 | S | S | * | * | trans | -150.5 | 105.7 | 160.9 | -126.3 | -94.1 | 0 | 0 | 0 | 111.3 | ||||
| 417 | I | 28.3 | Very low | 28.2 | Very low | 122 Ų | 122 | 159.6 Ų | 159.6 | 63% | 0.626 | 80% | 0.796 | S | S | * | * | trans | 41.4 | 112 | 141.4 | -49.3 | -179.9 | 0 | 0 | 0 | 117.8 | ||||
| 418 | M | 29.7 | Very low | 28.3 | Very low | 170 Ų | 170 | 160.7 Ų | 160.7 | 84% | 0.837 | 80% | 0.796 | S | S | * | * | -166 | 132.2 | 108.7 | -97.2 | -55.3 | 176.1 | 0 | 0 | 111.2 | |||||
| 419 | N | 26.2 | Very low | 28.7 | Very low | 151 Ų | 151 | 162.5 Ų | 162.5 | 81% | 0.807 | 80% | 0.795 | S | S | * | * | trans | -92.9 | 120.9 | 169.2 | -89.5 | -22.8 | 0 | 0 | 0 | 109.6 | ||||
| 420 | Q | 32.9 | Very low | 28.8 | Very low | 191 Ų | 191 | 161.4 Ų | 161.4 | 89% | 0.893 | 79% | 0.79 | S | S | * | * | trans | -169.4 | 133.2 | 141.7 | -106.2 | 145.8 | 109.1 | 0 | 0 | 112.2 | ||||
| 421 | Q | 27.3 | Very low | 29.1 | Very low | 171 Ų | 171 | 160.3 Ų | 160.3 | 80% | 0.799 | 79% | 0.788 | S | S | * | * | trans | -95.5 | 171.9 | 163.1 | -101.3 | -171.2 | 1.3 | 0 | 0 | 108.6 | ||||
| 422 | P | 33.9 | Very low | 29.4 | Very low | 110 Ų | 110 | 153.2 Ų | 153.2 | 71% | 0.714 | 77% | 0.773 | S | S | * | * | cis | -138.3 | -176.9 | 26.8 | 42.2 | -23.4 | 0 | 0 | 0 | 117.1 | ||||
| 423 | N | 28.1 | Very low | 29.8 | Very low | 136 Ų | 136 | 157.2 Ų | 157.2 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | trans | -66.2 | 150 | 170.5 | -49.4 | -57.5 | 0 | 0 | 0 | 112.4 | ||||
| 424 | Y | 31.4 | Very low | 30.1 | Very low | 235 Ų | 235 | 152.2 Ų | 152.2 | 92% | 0.922 | 77% | 0.766 | S | S | * | * | trans | -149.6 | 166.9 | 140.5 | -106.6 | -76.5 | 0 | 0 | 0 | 110.3 | ||||
| 425 | L | 26.1 | Very low | 30.6 | Very low | 153 Ų | 153 | 150.7 Ų | 150.7 | 80% | 0.801 | 76% | 0.759 | S | S | * | * | trans | -120.5 | 167.2 | -167.2 | -105.4 | 165.7 | 0 | 0 | 0 | 112 | ||||
| 426 | H | 29.8 | Very low | 31.2 | Very low | 151 Ų | 151 | 148.7 Ų | 148.7 | 70% | 0.699 | 75% | 0.75 | S | S | * | * | trans | 68.1 | 154.9 | 174.5 | -75.1 | 7.6 | 0 | 0 | 0 | 115.2 | ||||
| 427 | E | 31.6 | Very low | 31.5 | Very low | 145 Ų | 145 | 147.2 Ų | 147.2 | 68% | 0.678 | 75% | 0.748 | S | S | * | * | cis | -144.1 | 135.5 | -4.7 | -114.4 | 144.5 | 162.1 | 0 | 0 | 106.3 | ||||
| 428 | Q | 30.8 | Very low | 31.8 | Very low | 162 Ų | 162 | 145.3 Ų | 145.3 | 76% | 0.757 | 75% | 0.746 | S | S | * | * | 78.4 | 149.7 | 87.8 | -159.6 | 177.6 | 68.1 | 0 | 0 | 114 | |||||
| 429 | E | 34.4 | Very low | 32 | Very low | 157 Ų | 157 | 147.1 Ų | 147.1 | 73% | 0.734 | 74% | 0.744 | S | S | * | * | trans | 72.8 | 149.5 | 175.9 | -54.9 | -138.1 | 112.7 | 0 | 0 | 117.4 | ||||
| 430 | N | 28.5 | Very low | 32.5 | Very low | 128 Ų | 128 | 144.5 Ų | 144.5 | 68% | 0.684 | 74% | 0.737 | S | S | * | * | cis | -169.9 | 177.9 | -37.4 | -111.3 | -37 | 0 | 0 | 0 | 107.6 | ||||
| 431 | S | 34.1 | Very low | 32.6 | Very low | 112 Ų | 112 | 142.1 Ų | 142.1 | 78% | 0.783 | 73% | 0.729 | S | S | * | * | trans | 74.7 | 151.9 | 168.8 | 81 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 432 | S | 31.7 | Very low | 33 | Very low | 92 Ų | 92 | 140.6 Ų | 140.6 | 64% | 0.643 | 72% | 0.723 | S | S | * | * | cis | -172 | 171.3 | -49.8 | 44 | 0 | 0 | 0 | 0 | 110 | ||||
| 433 | F | 33 | Very low | 33.1 | Very low | 193 Ų | 193 | 141.7 Ų | 141.7 | 85% | 0.846 | 72% | 0.722 | S | S | * | * | trans | 68.2 | 146.5 | 175.3 | -66.1 | -97.8 | 0 | 0 | 0 | 116.8 | ||||
| 434 | S | 33.6 | Very low | 33.6 | Very low | 84 Ų | 84 | 142 Ų | 142 | 59% | 0.587 | 72% | 0.719 | S | S | * | * | cis | -178.2 | 177.7 | -37.7 | 45.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 435 | E | 37.3 | Very low | 33.8 | Very low | 165 Ų | 165 | 137 Ų | 137 | 77% | 0.771 | 70% | 0.704 | S | S | * | * | trans | 76.9 | 140.3 | 163.2 | -54.5 | -160.2 | 140 | 0 | 0 | 117.4 | ||||
| 436 | L | 37.1 | Very low | 34.2 | Very low | 121 Ų | 121 | 136.5 Ų | 136.5 | 63% | 0.634 | 70% | 0.697 | S | S | * | * | cis | -159.2 | 142.2 | -10.4 | -110.3 | 168.3 | 0 | 0 | 0 | 110.3 | ||||
| 437 | N | 34.7 | Very low | 34.4 | Very low | 143 Ų | 143 | 135.9 Ų | 135.9 | 77% | 0.765 | 69% | 0.694 | S | S | * | * | trans | 61.8 | 154.1 | 151.8 | -69.8 | -13.9 | 0 | 0 | 0 | 121.4 | ||||
| 438 | S | 35.8 | Very low | 34.6 | Very low | 82 Ų | 82 | 136 Ų | 136 | 57% | 0.573 | 69% | 0.694 | S | S | * | * | cis | -170.7 | 171.8 | -23.5 | -171.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 439 | Y | 34.3 | Very low | 34.6 | Very low | 207 Ų | 207 | 133.6 Ų | 133.6 | 81% | 0.812 | 69% | 0.687 | S | S | * | * | trans | 71.2 | 144.9 | 175 | -59.3 | -82.3 | 0 | 0 | 0 | 116.7 | ||||
| 440 | C | 35.8 | Very low | 34.5 | Very low | 97 Ų | 97 | 136.5 Ų | 136.5 | 66% | 0.655 | 69% | 0.693 | S | S | * | * | cis | 174.1 | 153.5 | -25.8 | -108.8 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 441 | L | 35.9 | Very low | 34.5 | Very low | 140 Ų | 140 | 134.9 Ų | 134.9 | 73% | 0.733 | 69% | 0.692 | S | S | * | * | cis | -139.8 | 162.8 | 7.3 | -94.6 | 118.8 | 0 | 0 | 0 | 109.8 | ||||
| 442 | Q | 34.6 | Very low | 34.2 | Very low | 140 Ų | 140 | 139.6 Ų | 139.6 | 65% | 0.654 | 69% | 0.694 | S | S | * | * | trans | 15.1 | 150.4 | 139 | -85.3 | 86.7 | -31.8 | 0 | 0 | 121.6 | ||||
| 443 | D | 35.8 | Very low | 34.4 | Very low | 133 Ų | 133 | 143.6 Ų | 143.6 | 71% | 0.711 | 70% | 0.702 | S | S | * | * | cis | -146.7 | 149.3 | 30 | -106.4 | -37.6 | 0 | 0 | 0 | 116.7 | ||||
| 444 | H | 38.8 | Very low | 34.3 | Very low | 141 Ų | 141 | 140.6 Ų | 140.6 | 65% | 0.653 | 69% | 0.694 | S | S | * | * | trans | 10.9 | 155.6 | 136 | -63.1 | -42 | 0 | 0 | 0 | 122.9 | ||||
| 445 | H | 36.6 | Very low | 34.4 | Very low | 132 Ų | 132 | 141.6 Ų | 141.6 | 61% | 0.611 | 70% | 0.697 | S | S | * | * | cis | -163.3 | 143.1 | -11.9 | -123.1 | -48.8 | 0 | 0 | 0 | 112.3 | ||||
| 446 | H | 33.9 | Very low | 34.1 | Very low | 141 Ų | 141 | 141 Ų | 141 | 65% | 0.653 | 70% | 0.699 | S | S | * | * | trans | 44.9 | 145.1 | 132.5 | -84.3 | 11.3 | 0 | 0 | 0 | 126.6 | ||||
| 447 | H | 34.4 | Very low | 34.1 | Very low | 138 Ų | 138 | 143.3 Ų | 143.3 | 64% | 0.639 | 71% | 0.707 | S | S | * | * | trans | 96.2 | 124.8 | 132.3 | -83.9 | -48.6 | 0 | 0 | 0 | 122.6 | ||||
| 448 | H | 36 | Very low | 33.9 | Very low | 147 Ų | 147 | 143.7 Ų | 143.7 | 68% | 0.681 | 71% | 0.708 | S | S | * | * | trans | 63.4 | 160 | 137.2 | -73.1 | -40.6 | 0 | 0 | 0 | 119.3 | ||||
| 449 | N | 30.2 | Very low | 33.9 | Very low | 113 Ų | 113 | 146.3 Ų | 146.3 | 60% | 0.604 | 72% | 0.715 | S | S | * | * | cis | -166 | -177.3 | -37.1 | -121.6 | 6.5 | 0 | 0 | 0 | 105.6 | ||||
| 450 | Y | 31.7 | Very low | 34 | Very low | 217 Ų | 217 | 143.7 Ų | 143.7 | 85% | 0.851 | 71% | 0.71 | S | S | * | * | trans | 72.5 | 120.9 | 173.5 | -52.9 | -84.2 | 0 | 0 | 0 | 114.5 | ||||
| 451 | S | 29.7 | Very low | 33.9 | Very low | 95 Ų | 95 | 145.4 Ų | 145.4 | 66% | 0.664 | 71% | 0.712 | S | S | * | * | cis | 92.3 | 111.8 | 29.5 | -168.2 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 452 | Y | 27.9 | Very low | 34.1 | Very low | 210 Ų | 210 | 145.7 Ų | 145.7 | 82% | 0.824 | 71% | 0.714 | S | S | * | * | trans | 47.4 | 113.9 | 156.4 | -76.6 | -109.8 | 0 | 0 | 0 | 118.9 | ||||
| 453 | H | 35 | Very low | 34.4 | Very low | 177 Ų | 177 | 146.5 Ų | 146.5 | 82% | 0.819 | 72% | 0.72 | S | S | * | * | -156.4 | 151.3 | 101.6 | -127.5 | -83.2 | 0 | 0 | 0 | 115.3 | |||||
| 454 | N | 31.2 | Very low | 34.7 | Very low | 129 Ų | 129 | 146.2 Ų | 146.2 | 69% | 0.69 | 72% | 0.723 | S | S | * | * | trans | -101.3 | 127.2 | 171.3 | 160.7 | 24.9 | 0 | 0 | 0 | 109.2 | ||||
| 455 | V | 35.9 | Very low | 34.7 | Very low | 105 Ų | 105 | 142.5 Ų | 142.5 | 64% | 0.636 | 72% | 0.723 | S | S | * | * | trans | -151.1 | 134.7 | 162.8 | -178.7 | 0 | 0 | 0 | 0 | 110 | Q457 | V455-Q457 HydrophobicContact CG1-CG 4.02Š| ||
| 456 | N | 30.5 | Very low | 34.9 | Very low | 153 Ų | 153 | 141.4 Ų | 141.4 | 82% | 0.818 | 74% | 0.736 | S | S | * | * | trans | -96 | 120 | 162.2 | -77.3 | -72.8 | 0 | 0 | 0 | 110 | ||||
| 457 | Q | 36.4 | Very low | 35.2 | Very low | 170 Ų | 170 | 140 Ų | 140 | 79% | 0.794 | 74% | 0.742 | S | S | * | * | trans | -141.5 | 121.4 | 160 | -72.2 | 175.3 | -0.4 | 0 | 0 | 107.3 | V455 | V455-Q457 HydrophobicContact CG1-CG 4.02Š| ||
| 458 | L | 31.6 | Very low | 35.5 | Very low | 151 Ų | 151 | 137.8 Ų | 137.8 | 79% | 0.791 | 74% | 0.743 | S | S | * | * | 75.1 | 135.7 | 56.9 | -93 | 170.9 | 0 | 0 | 0 | 115 | |||||
| 459 | L | 35.7 | Very low | 35.7 | Very low | 137 Ų | 137 | 136.6 Ų | 136.6 | 72% | 0.717 | 75% | 0.745 | S | S | * | * | trans | 74.5 | 143.7 | 166.4 | -52.5 | 146.3 | 0 | 0 | 0 | 115.8 | ||||
| 460 | E | 35.8 | Very low | 36.5 | Very low | 151 Ų | 151 | 140.8 Ų | 140.8 | 71% | 0.706 | 76% | 0.758 | S | S | * | * | cis | -161 | 161.4 | -21.4 | -123.9 | 179.1 | 176.5 | 0 | 0 | 111.9 | ||||
| 461 | L | 35.2 | Very low | 36.9 | Very low | 133 Ų | 133 | 137 Ų | 137 | 70% | 0.696 | 75% | 0.753 | S | S | * | * | trans | 27.5 | 129.7 | 148.9 | -65.1 | 163.8 | 0 | 0 | 0 | 122.1 | ||||
| 462 | N | 38.8 | Very low | 37.4 | Very low | 146 Ų | 146 | 143 Ų | 143 | 78% | 0.781 | 76% | 0.762 | S | S | * | * | -170.4 | 124 | 114.4 | -94.5 | -46.6 | 0 | 0 | 0 | 110.1 | |||||
| 463 | M | 42.2 | Very low | 38.1 | Very low | 158 Ų | 158 | 137.9 Ų | 137.9 | 78% | 0.778 | 76% | 0.758 | S | S | * | * | 62.5 | 120.5 | 94.3 | -63.7 | -80.2 | -80.5 | 0 | 0 | 112.8 | |||||
| 464 | T | 42.4 | Very low | 39 | Very low | 126 Ų | 126 | 141.2 Ų | 141.2 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | cis | -145.9 | -178.3 | 9.5 | 54.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 465 | G | 38 | Very low | 39.4 | Very low | 63 Ų | 63 | 141.8 Ų | 141.8 | 65% | 0.649 | 79% | 0.786 | S | S | * | * | cis | 115.2 | 122.9 | 3.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 466 | A | 41 | Very low | 39.6 | Very low | 109 Ų | 109 | 143.7 Ų | 143.7 | 90% | 0.901 | 79% | 0.794 | S | S | * | * | trans | 69.7 | 153.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 467 | S | 40.2 | Very low | 40.1 | Very low | 111 Ų | 111 | 143.2 Ų | 143.2 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | cis | -172.1 | 165.1 | -20.7 | -177.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 468 | S | 39.7 | Very low | 40.4 | Very low | 93 Ų | 93 | 141.6 Ų | 141.6 | 65% | 0.65 | 79% | 0.792 | S | S | * | * | trans | 59.1 | 115 | 159.9 | -148.7 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 469 | V | 40.7 | Very low | 40.9 | Very low | 121 Ų | 121 | 141.1 Ų | 141.1 | 73% | 0.733 | 79% | 0.792 | S | S | * | * | 56 | 116.8 | 63 | -176.7 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 470 | K | 47.3 | Very low | 41.3 | Very low | 202 Ų | 202 | 141.3 Ų | 141.3 | 88% | 0.878 | 80% | 0.797 | S | S | * | * | trans | -168.1 | 126.8 | 142.6 | -109.9 | 171.1 | -175 | -180 | 0 | 111.2 | ||||
| 471 | D | 40.8 | Very low | 41.6 | Very low | 138 Ų | 138 | 140.6 Ų | 140.6 | 74% | 0.738 | 80% | 0.804 | S | S | * | * | trans | -82.2 | -165.6 | 166.8 | -56 | -81.5 | 0 | 0 | 0 | 111.5 | ||||
| 472 | Y | 39.9 | Very low | 42.1 | Very low | 219 Ų | 219 | 141.2 Ų | 141.2 | 86% | 0.859 | 81% | 0.812 | S | S | * | * | trans | 84.9 | 104.5 | -169.1 | -66 | -88.6 | 0 | 0 | 0 | 113.2 | ||||
| 473 | S | 43 | Very low | 42.4 | Very low | 104 Ų | 104 | 140.8 Ų | 140.8 | 73% | 0.727 | 82% | 0.815 | S | S | * | * | cis | 94.6 | 102 | 46.9 | -69.9 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 474 | D | 54 | Low | 42.4 | Very low | 246 Ų | 246 | 139.3 Ų | 139.3 | 100% | 1.316 | 82% | 0.818 | S | S | * | * | trans | -149.1 | 0 | 131.3 | -98.6 | -26.1 | 0 | 0 | 0 | 107.4 |
Retrieved 474 of 474 residues in 60.8 ms
(Link to these results)