| 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 | 42.5 | Very low | 41.8 | Very low | 224 Ų | 224 | 161.9 Ų | 161.9 | 100% | 1.103 | 85% | 0.849 | S | S | * | * | 0 | 103.2 | 0 | -74.3 | 81.2 | 172.2 | 0 | 0 | 106.8 | |||||
| 2 | N | 41.8 | Very low | 41.6 | Very low | 156 Ų | 156 | 160.7 Ų | 160.7 | 83% | 0.834 | 84% | 0.835 | S | S | * | * | trans | -103.2 | 96.7 | 178.6 | -76.2 | 2.6 | 0 | 0 | 0 | 107.6 | I4 | N2-I4 PolarHBondContact O-N 3.21Š| ||
| 3 | D | 44.5 | Very low | 41.1 | Very low | 161 Ų | 161 | 156.8 Ų | 156.8 | 86% | 0.861 | 83% | 0.83 | S | S | * | * | trans | -75.1 | 102.6 | 170.9 | -80.7 | -46.9 | 0 | 0 | 0 | 109.1 | A5 | D3-A5 PolarHBondContact O-N 3.2Š| ||
| 4 | I | 45.5 | Very low | 40.5 | Very low | 160 Ų | 160 | 149.1 Ų | 149.1 | 82% | 0.821 | 81% | 0.808 | S | S | * | * | trans | -76.9 | 95.3 | 167.6 | -63.4 | 171.9 | 0 | 0 | 0 | 106.3 | N2 K6 | N2-I4 PolarHBondContact O-N 3.21Å; I4-K6 PolarHBondContact O-N 3.32Å; I4-K6 VanDerWaalsContact O-N 3.13Å | ||
| 5 | A | 47.9 | Very low | 40.6 | Very low | 93 Ų | 93 | 148.9 Ų | 148.9 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | trans | -67.4 | 106.3 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | D3 L7 | D3-A5 PolarHBondContact O-N 3.2Å; A5-L7 PolarHBondContact O-N 3.13Å | ||
| 6 | K | 41.6 | Very low | 41.1 | Very low | 201 Ų | 201 | 150.9 Ų | 150.9 | 87% | 0.874 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 118.9 | 163.2 | -104.8 | 177.2 | 170 | -174.7 | 0 | 108.9 | I4 | I4-K6 PolarHBondContact O-N 3.32Å; I4-K6 VanDerWaalsContact O-N 3.13Å |
| 7 | L | 43.5 | Very low | 42.1 | Very low | 162 Ų | 162 | 143.3 Ų | 143.3 | 85% | 0.848 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 136.2 | 164.6 | -73.9 | 160.4 | 0 | 0 | 0 | 108.8 | A5 | A5-L7 PolarHBondContact O-N 3.13Š|
| 8 | P | 40.3 | Very low | 43.6 | Very low | 113 Ų | 113 | 140.2 Ų | 140.2 | 73% | 0.734 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 140.7 | 176.2 | 30 | -31.1 | 0 | 0 | 0 | 110.6 | E10 | P8-E10 PolarHBondContact O-N 3.4Š|
| 9 | D | 38.8 | Very low | 45.6 | Very low | 164 Ų | 164 | 133.7 Ų | 133.7 | 88% | 0.877 | 72% | 0.721 | S | S | * | * | trans | -59.4 | 111.5 | 175.7 | -63.8 | -63.5 | 0 | 0 | 0 | 110.6 | E11 | D9-E11 VanDerWaalsContact C-N 3.27Å; D9-E11 PolarHBondContact O-N 3.05Å | ||
| 10 | E | 38.2 | Very low | 47.4 | Very low | 159 Ų | 159 | 128.6 Ų | 128.6 | 74% | 0.743 | 69% | 0.694 | S | S | * | * | trans | -70 | 80.3 | 171 | -87 | -91.3 | 140.4 | 0 | 0 | 109.6 | P8 H12 | P8-E10 PolarHBondContact O-N 3.4Å; E10-H12 VanDerWaalsContact CD-ND1 3.28Å; E10-H12 PolarHBondContact O-N 3.15Å; E10-H12 IonicContact OE1-CE1 3.4Å; E10-H12 PolarHBondContact OE1-CE1 2.8Å; E10-H12 IonicContact OE1-ND1 3.39Å; E10-H12 PolarHBondContact OE1-ND1 2.95Å; E10-H12 IonicContact OE2-CE1 3.61Å; E10-H12 IonicContact OE2-CG 3.82Å; E10-H12 IonicContact OE2-ND1 2.79Å; E10-H12 PolarHBondContact OE2-ND1 2.83Å | ||
| 11 | E | 34.7 | Very low | 49.3 | Very low | 188 Ų | 188 | 123 Ų | 123 | 88% | 0.879 | 66% | 0.664 | S | S | * | * | trans | -87.3 | 55.9 | 166.9 | -148.6 | -175.2 | -168.8 | 0 | 0 | 110.2 | D9 S13 | D9-E11 VanDerWaalsContact C-N 3.27Å; D9-E11 PolarHBondContact O-N 3.05Å; E11-S13 PolarHBondContact O-N 3.06Å; E11-S13 VanDerWaalsContact O-N 3.13Å | ||
| 12 | H | 39.5 | Very low | 51.3 | Low | 147 Ų | 147 | 120.2 Ų | 120.2 | 68% | 0.681 | 64% | 0.642 | S | S | * | * | trans | -79.6 | 93.2 | 166.2 | -76.3 | 104.7 | 0 | 0 | 0 | 108.8 | E10 G14 | E10-H12 VanDerWaalsContact CD-ND1 3.28Å; E10-H12 PolarHBondContact O-N 3.15Å; E10-H12 IonicContact OE1-CE1 3.4Å; E10-H12 PolarHBondContact OE1-CE1 2.8Å; E10-H12 IonicContact OE1-ND1 3.39Å; E10-H12 PolarHBondContact OE1-ND1 2.95Å; E10-H12 IonicContact OE2-CE1 3.61Å; E10-H12 IonicContact OE2-CG 3.82Å; E10-H12 IonicContact OE2-ND1 2.79Å; E10-H12 PolarHBondContact OE2-ND1 2.83Å; H12-G14 VanDerWaalsContact C-N 3.33Å; H12-G14 PolarHBondContact O-N 2.62Å | ||
| 13 | S | 35.4 | Very low | 53.2 | Low | 110 Ų | 110 | 116.5 Ų | 116.5 | 77% | 0.769 | 62% | 0.623 | S | S | * | * | trans | -43.4 | 95.3 | 162.2 | 175.3 | 0 | 0 | 0 | 0 | 110.3 | E11 K15 | E11-S13 PolarHBondContact O-N 3.06Å; E11-S13 VanDerWaalsContact O-N 3.13Å; S13-K15 PolarHBondContact O-N 2.82Å | ||
| 14 | G | 33 | Very low | 54.9 | Low | 50 Ų | 50 | 114.5 Ų | 114.5 | 52% | 0.515 | 61% | 0.606 | S | S | . | * | trans | -64 | 95.9 | 174 | 0 | 0 | 0 | 0 | 0 | 108.7 | H12 F16 | H12-G14 VanDerWaalsContact C-N 3.33Å; H12-G14 PolarHBondContact O-N 2.62Å; G14-F16 VanDerWaalsContact O-CD2 3.23Å; G14-F16 WeakPolarHBondContact O-CD2 3.48Å; G14-F16 PolarHBondContact O-N 3Å | ||
| 15 | K | 42.6 | Very low | 56.5 | Low | 145 Ų | 145 | 109.3 Ų | 109.3 | 63% | 0.63 | 59% | 0.592 | S | S | * | * | trans | -62.9 | 83.4 | 160.5 | -75.6 | -174.1 | 178.3 | 179.4 | 0 | 106.9 | S13 A17 D46 | S13-K15 PolarHBondContact O-N 2.82Å; K15-A17 PolarHBondContact O-N 3.36Å; K15-D46 IonicContact NZ-OD1 3.27Å; K15-D46 PolarHBondContact NZ-OD1 2.95Å | ||
| 16 | F | 48.3 | Very low | 58 | Low | 182 Ų | 182 | 106.4 Ų | 106.4 | 80% | 0.798 | 57% | 0.566 | S | S | * | * | trans | -55.1 | 130.4 | 170.5 | -71.9 | -82.4 | 0 | 0 | 0 | 108.3 | G14 A18 | G14-F16 VanDerWaalsContact O-CD2 3.23Å; G14-F16 WeakPolarHBondContact O-CD2 3.48Å; G14-F16 PolarHBondContact O-N 3Å; F16-A18 PolarHBondContact O-N 3.31Å | ||
| 17 | A | 56.8 | Low | 60.3 | Low | 21 Ų | 21 | 97.2 Ų | 97.2 | 17% | 0.174 | 53% | 0.526 | C | S | . | . | trans | -64 | 92.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | K15 F19 K111 L120 V121 | K15-A17 PolarHBondContact O-N 3.36Å; A17-F19 VanDerWaalsContact C-N 3.31Å; A17-F19 HydrophobicContact CB-CD1 4.27Å; A17-F19 HydrophobicContact CB-CE1 4.18Å; A17-F19 PolarHBondContact O-N 3.18Å; A17-F19 VanDerWaalsContact O-N 3.11Å; A17-K111 HydrophobicContact CB-CB 3.95Å; A17-K111 HydrophobicContact CB-CD 3.96Å; A17-K111 HydrophobicContact CB-CG 3.75Å; A17-K111 PolarHBondContact O-NZ 3.49Å; A17-L120 WeakPolarHBondContact CB-O 3.37Å; A17-V121 CarbonylContact C-O 3.52Å; A17-V121 WeakPolarHBondContact CA-O 3.38Å; A17-V121 WeakPolarHBondContact CB-O 3.49Å | ||
| 18 | A | 69.4 | Low | 62.4 | Low | 87 Ų | 87 | 92 Ų | 92 | 72% | 0.719 | 50% | 0.496 | S | S | * | . | trans | -89 | 60.3 | -172 | 0 | 0 | 0 | 0 | 0 | 111.8 | F16 | F16-A18 PolarHBondContact O-N 3.31Š| ||
| 19 | F | 82.6 | Confident | 64.7 | Low | 17 Ų | 17 | 86.9 Ų | 86.9 | 8% | 0.075 | 46% | 0.462 | C | S | . | . | trans | -127.2 | 150.9 | 170.4 | 74 | -92.3 | 0 | 0 | 0 | 112.2 | A17 P21 F50 L107 K111 L120 V121 P123 | A17-F19 VanDerWaalsContact C-N 3.31Å; A17-F19 HydrophobicContact CB-CD1 4.27Å; A17-F19 HydrophobicContact CB-CE1 4.18Å; A17-F19 PolarHBondContact O-N 3.18Å; A17-F19 VanDerWaalsContact O-N 3.11Å; F19-P21 HydrophobicContact CE2-CB 4.04Å; F19-P21 WeakPolarHBondContact O-CD 3.46Å; F19-F50 AromaticContact CD1-CE1 3.81Å; F19-F50 HydrophobicContact CD1-CE1 3.81Å; F19-F50 HydrophobicContact CD1-CZ 4.18Å; F19-F50 HydrophobicContact CD2-CE1 4.34Å; F19-F50 AromaticContact CD2-CZ 3.86Å; F19-F50 HydrophobicContact CD2-CZ 3.86Å; F19-F50 AromaticContact CE1-CE1 3.47Å; F19-F50 HydrophobicContact CE1-CE1 3.47Å; F19-F50 VanDerWaalsContact CE1-CE1 3.47Å; F19-F50 AromaticContact CE1-CZ 3.81Å; F19-F50 HydrophobicContact CE1-CZ 3.81Å; F19-F50 HydrophobicContact CE2-CE1 4.07Å; F19-F50 AromaticContact CE2-CZ 3.5Å; F19-F50 HydrophobicContact CE2-CZ 3.5Å; F19-F50 HydrophobicContact CG-CE1 4.23Å; F19-F50 HydrophobicContact CG-CZ 4.19Å; F19-F50 AromaticContact CZ-CE1 3.62Å; F19-F50 HydrophobicContact CZ-CE1 3.62Å; F19-F50 AromaticContact CZ-CZ 3.46Å; F19-F50 HydrophobicContact CZ-CZ 3.46Å; F19-F50 VanDerWaalsContact CZ-CZ 3.46Å; F19-L107 HydrophobicContact CE2-CB 4.01Å; F19-L107 HydrophobicContact CE2-CD1 4.39Å; F19-L107 HydrophobicContact CZ-CB 4.15Å; F19-K111 HydrophobicContact CE1-CD 4.05Å; F19-K111 HydrophobicContact CE1-CG 3.62Å; F19-K111 HydrophobicContact CZ-CD 4.14Å; F19-K111 HydrophobicContact CZ-CG 3.74Å; F19-K111 PolarHBondContact O-NZ 2.79Å; F19-L120 HydrophobicContact CE1-CB 4.08Å; F19-L120 HydrophobicContact CZ-CB 4.31Å; F19-V121 WeakPolarHBondContact CD1-O 3.09Å; F19-P123 HydrophobicContact CB-CG 4.19Å | ||
| 20 | D | 81.6 | Confident | 67 | Low | 32 Ų | 32 | 79.2 Ų | 79.2 | 17% | 0.171 | 42% | 0.421 | C | S | . | . | trans | -88.5 | 110.9 | 174.6 | -165 | -25.8 | 0 | 0 | 0 | 109.7 | Y22 D23 R236 | D20-Y22 PolarHBondContact O-N 3.26Å; D20-Y22 WeakPolarHBondContact OD1-CB 3.33Å; D20-Y22 PolarHBondContact OD1-N 2.93Å; D20-D23 HydrophobicContact CB-CB 4.1Å; D20-D23 PolarHBondContact O-N 2.83Å; D20-R236 IonicContact OD2-NH2 2.74Å | ||
| 21 | P | 86.7 | Confident | 69.2 | Low | 10 Ų | 10 | 76.5 Ų | 76.5 | 7% | 0.065 | 41% | 0.412 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -18.1 | 179.9 | 30.6 | -35.6 | 0 | 0 | 0 | 112.7 | F19 W27 P104 L107 | F19-P21 HydrophobicContact CE2-CB 4.04Å; F19-P21 WeakPolarHBondContact O-CD 3.46Å; P21-W27 PolarHBondContact O-NE1 3.48Å; P21-P104 HydrophobicContact CB-CB 4.06Å; P21-P104 HydrophobicContact CG-CB 4.45Å; P21-L107 HydrophobicContact CB-CB 4.09Å; P21-L107 HydrophobicContact CB-CD1 4.5Å |
| 22 | Y | 85 | Confident | 71.6 | Confident | 167 Ų | 167 | 68.8 Ų | 68.8 | 66% | 0.655 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | -18.1 | 177.3 | -63.2 | -84.2 | 0 | 0 | 0 | 112.8 | D20 K24 P104 | D20-Y22 PolarHBondContact O-N 3.26Å; D20-Y22 WeakPolarHBondContact OD1-CB 3.33Å; D20-Y22 PolarHBondContact OD1-N 2.93Å; Y22-K24 VanDerWaalsContact C-N 3.31Å; Y22-K24 PolarHBondContact O-N 2.79Å; Y22-P104 HydrophobicContact CD1-CB 3.81Å; Y22-P104 HydrophobicContact CD1-CG 3.71Å; Y22-P104 HydrophobicContact CE1-CB 3.66Å; Y22-P104 HydrophobicContact CE1-CG 3.91Å; Y22-P104 HydrophobicContact CE2-CB 4.39Å; Y22-P104 HydrophobicContact CG-CB 4.24Å; Y22-P104 HydrophobicContact CG-CG 4.34Å |
| 23 | D | 80.6 | Confident | 74 | Confident | 78 Ų | 78 | 64.2 Ų | 64.2 | 42% | 0.417 | 36% | 0.361 | S | S | . | . | trans | -79.3 | 80.9 | 173.9 | -177.7 | 7.4 | 0 | 0 | 0 | 110.4 | D20 G25 S26 W27 | D20-D23 HydrophobicContact CB-CB 4.1Å; D20-D23 PolarHBondContact O-N 2.83Å; D23-G25 PolarHBondContact O-N 3.36Å; D23-G25 VanDerWaalsContact O-N 3.11Å; D23-G25 PolarHBondContact OD1-N 2.91Å; D23-G25 VanDerWaalsContact OD1-N 3.15Å; D23-S26 WeakPolarHBondContact O-CB 3.5Å; D23-S26 PolarHBondContact O-N 3.23Å; D23-S26 PolarHBondContact O-OG 2.78Å; D23-S26 PolarHBondContact OD1-N 2.77Å; D23-S26 WeakPolarHBondContact OD2-CB 3.4Å; D23-W27 PolarHBondContact O-NE1 3.17Å; D23-W27 VanDerWaalsContact O-NE1 3.13Å | ||
| 24 | K | 82.1 | Confident | 76.6 | Confident | 119 Ų | 119 | 65.8 Ų | 65.8 | 52% | 0.517 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -51.5 | -34.7 | 176.9 | -173 | 176.7 | 179.2 | -173.7 | 0 | 112.3 | Y22 S26 W27 Y28 | Y22-K24 VanDerWaalsContact C-N 3.31Å; Y22-K24 PolarHBondContact O-N 2.79Å; K24-S26 PolarHBondContact O-N 2.83Å; K24-W27 HydrophobicContact CB-CH2 4.38Å; K24-W27 HydrophobicContact CB-CZ2 3.94Å; K24-W27 HydrophobicContact CG-CH2 3.86Å; K24-W27 HydrophobicContact CG-CZ2 3.92Å; K24-W27 HydrophobicContact CG-CZ3 4.38Å; K24-W27 PolarHBondContact O-N 3.14Å; K24-Y28 HydrophobicContact CD-CD1 4.5Å; K24-Y28 HydrophobicContact CG-CD1 4.29Å; K24-Y28 HydrophobicContact CG-CG 4.2Å; K24-Y28 WeakPolarHBondContact O-CB 3.28Å; K24-Y28 PolarHBondContact O-N 2.93Å |
| 25 | G | 77.2 | Confident | 79.3 | Confident | 51 Ų | 51 | 69.5 Ų | 69.5 | 53% | 0.526 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -66.3 | -21.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | D23 | D23-G25 PolarHBondContact O-N 3.36Å; D23-G25 VanDerWaalsContact O-N 3.11Å; D23-G25 PolarHBondContact OD1-N 2.91Å; D23-G25 VanDerWaalsContact OD1-N 3.15Å |
| 26 | S | 80.9 | Confident | 81.4 | Confident | 32 Ų | 32 | 65.7 Ų | 65.7 | 22% | 0.224 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -78.4 | -38.3 | 179.6 | 70.1 | 0 | 0 | 0 | 0 | 113.3 | D23 K24 P123 | D23-S26 WeakPolarHBondContact O-CB 3.5Å; D23-S26 PolarHBondContact O-N 3.23Å; D23-S26 PolarHBondContact O-OG 2.78Å; D23-S26 PolarHBondContact OD1-N 2.77Å; D23-S26 WeakPolarHBondContact OD2-CB 3.4Å; K24-S26 PolarHBondContact O-N 2.83Å; S26-P123 WeakPolarHBondContact O-CB 3.32Å |
| 27 | W | 88.3 | Confident | 83.5 | Confident | 8 Ų | 8 | 57 Ų | 57 | 3% | 0.03 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -114.1 | -20.9 | -170 | 52.9 | -103.7 | 0 | 0 | 0 | 114 | P21 D23 K24 F29 F50 V52 M103 L107 P123 | P21-W27 PolarHBondContact O-NE1 3.48Å; D23-W27 PolarHBondContact O-NE1 3.17Å; D23-W27 VanDerWaalsContact O-NE1 3.13Å; K24-W27 HydrophobicContact CB-CH2 4.38Å; K24-W27 HydrophobicContact CB-CZ2 3.94Å; K24-W27 HydrophobicContact CG-CH2 3.86Å; K24-W27 HydrophobicContact CG-CZ2 3.92Å; K24-W27 HydrophobicContact CG-CZ3 4.38Å; K24-W27 PolarHBondContact O-N 3.14Å; W27-F29 WeakPolarHBondContact O-CD2 3.4Å; W27-F50 HydrophobicContact CB-CE2 3.74Å; W27-F50 HydrophobicContact CB-CZ 4.2Å; W27-F50 HydrophobicContact CG-CE2 4.49Å; W27-V52 HydrophobicContact CE3-CB 3.73Å; W27-V52 HydrophobicContact CE3-CG1 4.47Å; W27-V52 HydrophobicContact CE3-CG2 3.62Å; W27-V52 HydrophobicContact CZ3-CB 3.96Å; W27-V52 HydrophobicContact CZ3-CG1 4.2Å; W27-V52 HydrophobicContact CZ3-CG2 4.03Å; W27-V52 PolarHBondContact O-N 3.21Å; W27-M103 HydrophobicContact CE3-CE 4.47Å; W27-M103 HydrophobicContact CH2-CB 3.82Å; W27-M103 HydrophobicContact CH2-CE 4Å; W27-M103 HydrophobicContact CH2-CG 4.12Å; W27-M103 HydrophobicContact CZ2-CB 4.24Å; W27-M103 HydrophobicContact CZ3-CE 3.73Å; W27-L107 HydrophobicContact CD2-CD1 3.66Å; W27-L107 HydrophobicContact CE3-CD1 4.16Å; W27-L107 HydrophobicContact CG-CD1 3.93Å; W27-L107 HydrophobicContact CZ2-CD1 4.07Å; W27-P123 HydrophobicContact CB-CB 3.96Å |
| 28 | Y | 89.6 | Confident | 85.1 | Confident | 53 Ų | 53 | 57.7 Ų | 57.7 | 21% | 0.208 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 116.3 | -179.6 | -176.4 | -114.6 | 0 | 0 | 0 | 111.3 | K24 V52 D54 L62 R126 | K24-Y28 HydrophobicContact CD-CD1 4.5Å; K24-Y28 HydrophobicContact CG-CD1 4.29Å; K24-Y28 HydrophobicContact CG-CG 4.2Å; K24-Y28 WeakPolarHBondContact O-CB 3.28Å; K24-Y28 PolarHBondContact O-N 2.93Å; Y28-V52 CarbonylContact C-O 3.53Å; Y28-V52 WeakPolarHBondContact CA-O 3.34Å; Y28-V52 HydrophobicContact CD2-CB 4.42Å; Y28-V52 HydrophobicContact CD2-CG1 4.23Å; Y28-D54 WeakPolarHBondContact CE2-OD1 3.27Å; Y28-D54 PolarHBondContact OH-OD1 2.92Å; Y28-D54 PolarHBondContact OH-OD2 3.41Å; Y28-D54 VanDerWaalsContact OH-OD2 3.13Å; Y28-L62 HydrophobicContact CE2-CD2 3.91Å; Y28-R126 PolarHBondContact O-NH1 3.24Å |
| 29 | F | 88 | Confident | 86 | Confident | 5 Ų | 5 | 59 Ų | 59 | 2% | 0.022 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | -13.2 | -177.7 | -81.5 | -118.6 | 0 | 0 | 0 | 113 | W27 I32 I40 L51 V52 A124 R126 | W27-F29 WeakPolarHBondContact O-CD2 3.4Å; F29-I32 HydrophobicContact CB-CD1 3.63Å; F29-I32 HydrophobicContact CB-CG1 3.93Å; F29-I32 HydrophobicContact CB-CG2 4.14Å; F29-I32 HydrophobicContact CD1-CD1 4.03Å; F29-I32 HydrophobicContact CG-CD1 4.12Å; F29-I40 HydrophobicContact CD1-CD1 3.97Å; F29-I40 HydrophobicContact CE1-CD1 3.9Å; F29-I40 HydrophobicContact CE1-CG2 4.3Å; F29-L51 HydrophobicContact CD1-CD2 4.29Å; F29-L51 HydrophobicContact CD2-CB 3.59Å; F29-L51 HydrophobicContact CD2-CD2 4.49Å; F29-L51 HydrophobicContact CD2-CG 4.48Å; F29-L51 HydrophobicContact CE1-CD2 4.32Å; F29-L51 HydrophobicContact CE2-CB 3.69Å; F29-L51 HydrophobicContact CG-CB 4.19Å; F29-L51 HydrophobicContact CG-CD2 4.37Å; F29-L51 HydrophobicContact CZ-CB 4.34Å; F29-L51 HydrophobicContact CZ-CD2 4.44Å; F29-V52 PolarHBondContact N-O 3.3Å; F29-A124 HydrophobicContact CZ-CB 4.2Å; F29-A124 WeakPolarHBondContact CZ-O 3.46Å; F29-R126 HydrophobicContact CD1-CG 4.32Å; F29-R126 HydrophobicContact CE1-CB 3.81Å; F29-R126 HydrophobicContact CE1-CG 3.78Å; F29-R126 HydrophobicContact CZ-CB 3.75Å; F29-R126 HydrophobicContact CZ-CG 4.22Å; F29-R126 PolarHBondContact O-NH1 3.18Å; F29-R126 PolarHBondContact O-NH2 2.87Å; F29-R126 VanDerWaalsContact O-NH2 3.15Å |
| 30 | G | 86.1 | Confident | 86.3 | Confident | 3 Ų | 3 | 59.1 Ų | 59.1 | 3% | 0.031 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 79.4 | -143.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | I32 R53 D54 | G30-I32 PolarHBondContact O-N 3.43Å; G30-R53 CarbonylContact O-C 3.55Å; G30-R53 VanDerWaalsContact O-CA 3.25Å; G30-R53 WeakPolarHBondContact O-CA 3.45Å; G30-R53 WeakPolarHBondContact O-CB 3.43Å; G30-D54 PolarHBondContact O-N 2.96Å |
| 31 | D | 84.5 | Confident | 86.7 | Confident | 101 Ų | 101 | 57.6 Ų | 57.6 | 54% | 0.54 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -79.6 | 44.8 | -176 | 61.3 | -29.5 | 0 | 0 | 0 | 113.7 | ||
| 32 | I | 86.4 | Confident | 86.7 | Confident | 26 Ų | 26 | 61.5 Ų | 61.5 | 13% | 0.133 | 30% | 0.299 | C | S | . | . | trans | -77.6 | 146.6 | 173.1 | 64.7 | 163.3 | 0 | 0 | 0 | 111.3 | F29 G30 E36 I40 L51 R53 | F29-I32 HydrophobicContact CB-CD1 3.63Å; F29-I32 HydrophobicContact CB-CG1 3.93Å; F29-I32 HydrophobicContact CB-CG2 4.14Å; F29-I32 HydrophobicContact CD1-CD1 4.03Å; F29-I32 HydrophobicContact CG-CD1 4.12Å; G30-I32 PolarHBondContact O-N 3.43Å; I32-E36 HydrophobicContact CB-CB 4.48Å; I32-E36 HydrophobicContact CB-CG 4.27Å; I32-I40 HydrophobicContact CD1-CD1 4.27Å; I32-L51 HydrophobicContact CD1-CD1 3.85Å; I32-L51 HydrophobicContact CD1-CD2 4.21Å; I32-R53 HydrophobicContact CD1-CB 4.2Å; I32-R53 HydrophobicContact CG1-CB 3.52Å; I32-R53 HydrophobicContact CG1-CG 4.33Å | ||
| 33 | S | 88.9 | Confident | 86.7 | Confident | 52 Ų | 52 | 58.1 Ų | 58.1 | 36% | 0.364 | 30% | 0.296 | S | S | . | . | trans | -70.3 | 164.3 | 178.2 | 89.9 | 0 | 0 | 0 | 0 | 112.1 | E35 E36 S37 | S33-E35 VanDerWaalsContact C-N 3.26Å; S33-E35 VanDerWaalsContact CB-OE2 3.31Å; S33-E35 WeakPolarHBondContact CB-OE2 3.31Å; S33-E35 PolarHBondContact O-N 3.5Å; S33-E35 PolarHBondContact OG-N 3.1Å; S33-E35 PolarHBondContact OG-OE2 3.18Å; S33-E36 PolarHBondContact O-N 2.92Å; S33-E36 PolarHBondContact OG-N 3.38Å; S33-E36 VanDerWaalsContact OG-N 3.1Å; S33-S37 PolarHBondContact O-N 3.31Å; S33-S37 PolarHBondContact O-OG 3.43Å | ||
| 34 | R | 89.6 | Confident | 87 | Confident | 142 Ų | 142 | 55.3 Ų | 55.3 | 54% | 0.536 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -59 | -42.8 | 174.3 | -176.8 | 178.8 | -175.1 | -169.5 | -2.3 | 110.8 | S37 N38 Q77 | R34-S37 WeakPolarHBondContact CA-OG 3.37Å; R34-S37 PolarHBondContact O-N 3.23Å; R34-S37 PolarHBondContact O-OG 2.79Å; R34-N38 WeakPolarHBondContact O-CB 3.27Å; R34-N38 PolarHBondContact O-N 2.8Å; R34-N38 PolarHBondContact O-ND2 3.22Å; R34-Q77 VanDerWaalsContact NE-NE2 3.2Å |
| 35 | E | 89.5 | Confident | 87.1 | Confident | 129 Ų | 129 | 57.1 Ų | 57.1 | 60% | 0.603 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -64.9 | -44 | -179.2 | -58.5 | 66.6 | -139.1 | 0 | 0 | 110.5 | S33 N38 R39 | S33-E35 VanDerWaalsContact C-N 3.26Å; S33-E35 VanDerWaalsContact CB-OE2 3.31Å; S33-E35 WeakPolarHBondContact CB-OE2 3.31Å; S33-E35 PolarHBondContact O-N 3.5Å; S33-E35 PolarHBondContact OG-N 3.1Å; S33-E35 PolarHBondContact OG-OE2 3.18Å; E35-N38 PolarHBondContact O-N 3.39Å; E35-R39 WeakPolarHBondContact O-CB 3.45Å; E35-R39 PolarHBondContact O-N 2.91Å |
| 36 | E | 88.1 | Confident | 87.5 | Confident | 65 Ų | 65 | 56.5 Ų | 56.5 | 30% | 0.304 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -65.9 | -43.5 | 178 | -178.3 | 61.9 | -177.7 | 0 | 0 | 111.7 | I32 S33 N38 R39 I40 | I32-E36 HydrophobicContact CB-CB 4.48Å; I32-E36 HydrophobicContact CB-CG 4.27Å; S33-E36 PolarHBondContact O-N 2.92Å; S33-E36 PolarHBondContact OG-N 3.38Å; S33-E36 VanDerWaalsContact OG-N 3.1Å; E36-N38 VanDerWaalsContact C-N 3.31Å; E36-N38 PolarHBondContact O-N 3.25Å; E36-R39 WeakPolarHBondContact O-CB 3.44Å; E36-R39 PolarHBondContact O-N 2.93Å; E36-R39 IonicContact OE1-CZ 2.67Å; E36-R39 IonicContact OE1-NE 3.23Å; E36-R39 IonicContact OE1-NH2 3.86Å; E36-R39 PolarHBondContact OE1-NH2 2.71Å; E36-R39 IonicContact OE2-CZ 3.37Å; E36-R39 IonicContact OE2-NE 2.99Å; E36-R39 PolarHBondContact OE2-NE 2.67Å; E36-R39 IonicContact OE2-NH2 3.56Å; E36-R39 PolarHBondContact OE2-NH2 2.82Å; E36-I40 HydrophobicContact CG-CD1 4.05Å; E36-I40 WeakPolarHBondContact O-CG1 3.12Å; E36-I40 PolarHBondContact O-N 3.42Å |
| 37 | S | 90.7 | Very high | 87.8 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.2 | -41.2 | 175.1 | 64.7 | 0 | 0 | 0 | 0 | 112.7 | S33 R34 L41 R53 | S33-S37 PolarHBondContact O-N 3.31Å; S33-S37 PolarHBondContact O-OG 3.43Å; R34-S37 WeakPolarHBondContact CA-OG 3.37Å; R34-S37 PolarHBondContact O-N 3.23Å; R34-S37 PolarHBondContact O-OG 2.79Å; S37-L41 WeakPolarHBondContact O-CG 3.41Å; S37-L41 PolarHBondContact O-N 3.4Å; S37-L41 VanDerWaalsContact O-N 3.1Å; S37-R53 PolarHBondContact OG-NE 3.22Å |
| 38 | N | 90.9 | Very high | 87.9 | Confident | 34 Ų | 34 | 57.3 Ų | 57.3 | 18% | 0.182 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -66 | -43.9 | 175.4 | -75.4 | -25.2 | 0 | 0 | 0 | 110.6 | R34 E35 E36 I40 L41 M42 V75 Q77 | R34-N38 WeakPolarHBondContact O-CB 3.27Å; R34-N38 PolarHBondContact O-N 2.8Å; R34-N38 PolarHBondContact O-ND2 3.22Å; E35-N38 PolarHBondContact O-N 3.39Å; E36-N38 VanDerWaalsContact C-N 3.31Å; E36-N38 PolarHBondContact O-N 3.25Å; N38-I40 PolarHBondContact O-N 2.87Å; N38-L41 PolarHBondContact O-N 2.96Å; N38-M42 VanDerWaalsContact O-CB 3.23Å; N38-M42 WeakPolarHBondContact O-CB 3.45Å; N38-M42 WeakPolarHBondContact O-CG 3.5Å; N38-M42 PolarHBondContact O-N 2.86Å; N38-V75 WeakPolarHBondContact OD1-CB 3.48Å; N38-V75 VanDerWaalsContact OD1-CG1 3.25Å; N38-V75 WeakPolarHBondContact OD1-CG1 3.09Å; N38-Q77 PolarHBondContact ND2-NE2 3.37Å; N38-Q77 PolarHBondContact OD1-NE2 3.34Å |
| 39 | R | 89.3 | Confident | 88 | Confident | 115 Ų | 115 | 54.8 Ų | 54.8 | 43% | 0.434 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -57.2 | -48.4 | 178.3 | -172.6 | -170.9 | 69 | 78.4 | -1.8 | 111.3 | E35 E36 M42 T43 | E35-R39 WeakPolarHBondContact O-CB 3.45Å; E35-R39 PolarHBondContact O-N 2.91Å; E36-R39 WeakPolarHBondContact O-CB 3.44Å; E36-R39 PolarHBondContact O-N 2.93Å; E36-R39 IonicContact OE1-CZ 2.67Å; E36-R39 IonicContact OE1-NE 3.23Å; E36-R39 IonicContact OE1-NH2 3.86Å; E36-R39 PolarHBondContact OE1-NH2 2.71Å; E36-R39 IonicContact OE2-CZ 3.37Å; E36-R39 IonicContact OE2-NE 2.99Å; E36-R39 PolarHBondContact OE2-NE 2.67Å; E36-R39 IonicContact OE2-NH2 3.56Å; E36-R39 PolarHBondContact OE2-NH2 2.82Å; R39-M42 PolarHBondContact O-N 3.16Å; R39-T43 WeakPolarHBondContact O-CG2 3.29Å; R39-T43 PolarHBondContact O-N 2.74Å |
| 40 | I | 88.2 | Confident | 88.3 | Confident | 19 Ų | 19 | 54.6 Ų | 54.6 | 10% | 0.097 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.3 | -51.8 | 178.7 | -65.7 | 162.8 | 0 | 0 | 0 | 110.1 | F29 I32 E36 N38 M42 T43 L51 A124 | F29-I40 HydrophobicContact CD1-CD1 3.97Å; F29-I40 HydrophobicContact CE1-CD1 3.9Å; F29-I40 HydrophobicContact CE1-CG2 4.3Å; I32-I40 HydrophobicContact CD1-CD1 4.27Å; E36-I40 HydrophobicContact CG-CD1 4.05Å; E36-I40 WeakPolarHBondContact O-CG1 3.12Å; E36-I40 PolarHBondContact O-N 3.42Å; N38-I40 PolarHBondContact O-N 2.87Å; I40-M42 VanDerWaalsContact C-N 3.31Å; I40-M42 PolarHBondContact O-N 2.95Å; I40-T43 PolarHBondContact O-N 2.8Å; I40-T43 PolarHBondContact O-OG1 3.25Å; I40-L51 HydrophobicContact CB-CD2 4.28Å; I40-L51 HydrophobicContact CG2-CD2 4.08Å; I40-A124 HydrophobicContact CG2-CB 3.98Å |
| 41 | L | 90.2 | Very high | 88.6 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -67.7 | -29.2 | -178.1 | -70.8 | 172.6 | 0 | 0 | 0 | 113.2 | S37 N38 T43 E44 V49 L51 C65 R67 V75 A124 | S37-L41 WeakPolarHBondContact O-CG 3.41Å; S37-L41 PolarHBondContact O-N 3.4Å; S37-L41 VanDerWaalsContact O-N 3.1Å; N38-L41 PolarHBondContact O-N 2.96Å; L41-T43 VanDerWaalsContact C-N 3.26Å; L41-T43 PolarHBondContact O-N 2.87Å; L41-E44 WeakPolarHBondContact O-CB 3.2Å; L41-E44 PolarHBondContact O-N 2.94Å; L41-E44 VanDerWaalsContact O-N 3.15Å; L41-V49 HydrophobicContact CD2-CG1 4.02Å; L41-L51 HydrophobicContact CD1-CD2 4.27Å; L41-L51 HydrophobicContact CD1-CG 4.18Å; L41-L51 HydrophobicContact CD2-CD2 4.3Å; L41-L51 HydrophobicContact CD2-CG 4.47Å; L41-L51 HydrophobicContact CG-CD2 3.94Å; L41-L51 HydrophobicContact CG-CG 4.3Å; L41-C65 HydrophobicContact CD1-CB 3.48Å; L41-C65 VanDerWaalsContact CD1-CB 3.48Å; L41-R67 HydrophobicContact CB-CB 4.5Å; L41-R67 HydrophobicContact CD2-CB 4.39Å; L41-R67 WeakPolarHBondContact O-CD 3.23Å; L41-V75 HydrophobicContact CB-CG1 4.49Å; L41-V75 HydrophobicContact CB-CG2 3.85Å; L41-V75 HydrophobicContact CD1-CG1 3.61Å; L41-V75 HydrophobicContact CD1-CG2 4.46Å; L41-A124 HydrophobicContact CD2-CB 3.85Å |
| 42 | M | 87.1 | Confident | 89.1 | Confident | 93 Ų | 93 | 49.6 Ų | 49.6 | 46% | 0.458 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -72.1 | -18.6 | 176.8 | -71.8 | -77.2 | -161.2 | 0 | 0 | 113.3 | N38 R39 I40 E44 N74 V75 | N38-M42 VanDerWaalsContact O-CB 3.23Å; N38-M42 WeakPolarHBondContact O-CB 3.45Å; N38-M42 WeakPolarHBondContact O-CG 3.5Å; N38-M42 PolarHBondContact O-N 2.86Å; R39-M42 PolarHBondContact O-N 3.16Å; I40-M42 VanDerWaalsContact C-N 3.31Å; I40-M42 PolarHBondContact O-N 2.95Å; M42-E44 VanDerWaalsContact C-N 3.25Å; M42-N74 HydrophobicContact CE-CB 3.73Å; M42-N74 HydrophobicContact SD-CB 3.6Å; M42-V75 HydrophobicContact CE-CG2 4.25Å; M42-V75 HydrophobicContact CG-CG2 4.26Å; M42-V75 HydrophobicContact SD-CG2 4.36Å |
| 43 | T | 85.4 | Confident | 89.4 | Confident | 95 Ų | 95 | 49 Ų | 49 | 58% | 0.583 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -76.1 | -17.5 | 170.6 | 64.2 | 0 | 0 | 0 | 0 | 112.7 | R39 I40 L41 | R39-T43 WeakPolarHBondContact O-CG2 3.29Å; R39-T43 PolarHBondContact O-N 2.74Å; I40-T43 PolarHBondContact O-N 2.8Å; I40-T43 PolarHBondContact O-OG1 3.25Å; L41-T43 VanDerWaalsContact C-N 3.26Å; L41-T43 PolarHBondContact O-N 2.87Å |
| 44 | E | 86.7 | Confident | 89.6 | Confident | 20 Ų | 20 | 49.1 Ų | 49.1 | 9% | 0.093 | 23% | 0.232 | C | C | . | . | trans | -87.5 | 137.9 | 179.5 | -61.1 | -81.6 | -158.1 | 0 | 0 | 110 | L41 M42 V49 R122 I125 | L41-E44 WeakPolarHBondContact O-CB 3.2Å; L41-E44 PolarHBondContact O-N 2.94Å; L41-E44 VanDerWaalsContact O-N 3.15Å; M42-E44 VanDerWaalsContact C-N 3.25Å; E44-V49 HydrophobicContact CB-CB 4.32Å; E44-V49 HydrophobicContact CB-CG1 4.14Å; E44-V49 HydrophobicContact CB-CG2 4.32Å; E44-V49 HydrophobicContact CG-CG1 3.86Å; E44-R122 VanDerWaalsContact CD-NH1 3.34Å; E44-R122 IonicContact OE1-CZ 2.67Å; E44-R122 IonicContact OE1-NH1 2.83Å; E44-R122 PolarHBondContact OE1-NH1 2.83Å; E44-R122 IonicContact OE1-NH2 3.3Å; E44-R122 IonicContact OE2-CZ 3.92Å; E44-R122 IonicContact OE2-NH1 3.15Å; E44-R122 PolarHBondContact OE2-NH1 2.93Å; E44-R122 IonicContact OE2-NH2 2.65Å; E44-R122 PolarHBondContact OE2-NH2 3.44Å; E44-I125 PolarHBondContact OE1-N 3.28Å | ||
| 45 | H | 83.1 | Confident | 89.8 | Confident | 156 Ų | 156 | 42.8 Ų | 42.8 | 72% | 0.722 | 21% | 0.209 | S | C | * | . | trans | -103.8 | -12.4 | -175.5 | 57.7 | -81.7 | 0 | 0 | 0 | 113.1 | ||||
| 46 | D | 85.5 | Confident | 89.7 | Confident | 39 Ų | 39 | 41 Ų | 41 | 21% | 0.209 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -90.4 | 141.8 | 177.1 | -62.8 | -65.9 | 0 | 0 | 0 | 111 | K15 V49 R67 R122 | K15-D46 IonicContact NZ-OD1 3.27Å; K15-D46 PolarHBondContact NZ-OD1 2.95Å; D46-V49 HydrophobicContact CB-CG2 3.79Å; D46-V49 VanDerWaalsContact O-CG2 3.29Å; D46-V49 WeakPolarHBondContact O-CG2 3.48Å; D46-R67 WeakPolarHBondContact O-CG 3.23Å; D46-R122 IonicContact OD2-CZ 3.55Å; D46-R122 IonicContact OD2-NE 3.41Å; D46-R122 IonicContact OD2-NH2 2.79Å; D46-R122 PolarHBondContact OD2-NH2 3.2Å |
| 47 | D | 88.7 | Confident | 89.7 | Confident | 57 Ų | 57 | 43.4 Ų | 43.4 | 31% | 0.305 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | 154.4 | 167.4 | -72.4 | -18.2 | 0 | 0 | 0 | 111.8 | V49 S69 | D47-V49 PolarHBondContact O-N 2.9Å; D47-S69 VanDerWaalsContact CG-N 3.34Å; D47-S69 WeakPolarHBondContact OD1-CB 3.34Å; D47-S69 PolarHBondContact OD1-N 3.27Å; D47-S69 PolarHBondContact OD1-OG 2.94Å; D47-S69 WeakPolarHBondContact OD2-CB 3.3Å; D47-S69 PolarHBondContact OD2-N 2.8Å; D47-S69 PolarHBondContact OD2-OG 3.19Å |
| 48 | G | 88.7 | Confident | 89.5 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 77.2 | 6.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | R67 P119 V121 R122 | G48-R67 PolarHBondContact N-O 3.34Å; G48-P119 WeakPolarHBondContact CA-O 3.48Å; G48-V121 PolarHBondContact O-N 2.72Å; G48-R122 PolarHBondContact O-N 3.06Å |
| 49 | V | 92 | Very high | 89.3 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 130.2 | 168.9 | -177.2 | 0 | 0 | 0 | 0 | 108.9 | L41 E44 D46 D47 V66 R67 R122 A124 | L41-V49 HydrophobicContact CD2-CG1 4.02Å; E44-V49 HydrophobicContact CB-CB 4.32Å; E44-V49 HydrophobicContact CB-CG1 4.14Å; E44-V49 HydrophobicContact CB-CG2 4.32Å; E44-V49 HydrophobicContact CG-CG1 3.86Å; D46-V49 HydrophobicContact CB-CG2 3.79Å; D46-V49 VanDerWaalsContact O-CG2 3.29Å; D46-V49 WeakPolarHBondContact O-CG2 3.48Å; D47-V49 PolarHBondContact O-N 2.9Å; V49-V66 CarbonylContact O-C 3.52Å; V49-V66 WeakPolarHBondContact O-CA 3.43Å; V49-R67 HydrophobicContact CB-CB 4.19Å; V49-R67 WeakPolarHBondContact O-CB 3.37Å; V49-R67 PolarHBondContact O-N 3.04Å; V49-R122 VanDerWaalsContact CA-O 3.32Å; V49-R122 WeakPolarHBondContact CA-O 3.44Å; V49-R122 HydrophobicContact CG2-CG 4.04Å; V49-R122 VanDerWaalsContact CG2-CZ 3.48Å; V49-A124 HydrophobicContact CG1-CB 3.84Å |
| 50 | F | 94.1 | Very high | 89.2 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 162.7 | -172.7 | 74 | -84.3 | 0 | 0 | 0 | 113.8 | F19 W27 L64 C65 V66 L107 L120 R122 P123 A124 | F19-F50 AromaticContact CD1-CE1 3.81Å; F19-F50 HydrophobicContact CD1-CE1 3.81Å; F19-F50 HydrophobicContact CD1-CZ 4.18Å; F19-F50 HydrophobicContact CD2-CE1 4.34Å; F19-F50 AromaticContact CD2-CZ 3.86Å; F19-F50 HydrophobicContact CD2-CZ 3.86Å; F19-F50 AromaticContact CE1-CE1 3.47Å; F19-F50 HydrophobicContact CE1-CE1 3.47Å; F19-F50 VanDerWaalsContact CE1-CE1 3.47Å; F19-F50 AromaticContact CE1-CZ 3.81Å; F19-F50 HydrophobicContact CE1-CZ 3.81Å; F19-F50 HydrophobicContact CE2-CE1 4.07Å; F19-F50 AromaticContact CE2-CZ 3.5Å; F19-F50 HydrophobicContact CE2-CZ 3.5Å; F19-F50 HydrophobicContact CG-CE1 4.23Å; F19-F50 HydrophobicContact CG-CZ 4.19Å; F19-F50 AromaticContact CZ-CE1 3.62Å; F19-F50 HydrophobicContact CZ-CE1 3.62Å; F19-F50 AromaticContact CZ-CZ 3.46Å; F19-F50 HydrophobicContact CZ-CZ 3.46Å; F19-F50 VanDerWaalsContact CZ-CZ 3.46Å; W27-F50 HydrophobicContact CB-CE2 3.74Å; W27-F50 HydrophobicContact CB-CZ 4.2Å; W27-F50 HydrophobicContact CG-CE2 4.49Å; F50-L64 HydrophobicContact CB-CD1 4.05Å; F50-L64 HydrophobicContact CD2-CD1 3.6Å; F50-L64 HydrophobicContact CE2-CD1 4.49Å; F50-L64 HydrophobicContact CG-CD1 4.16Å; F50-C65 CarbonylContact C-O 3.53Å; F50-C65 WeakPolarHBondContact CA-O 3.28Å; F50-C65 WeakPolarHBondContact CB-O 3.02Å; F50-V66 HydrophobicContact CB-CB 4.47Å; F50-V66 HydrophobicContact CB-CG1 4.43Å; F50-V66 HydrophobicContact CB-CG2 4Å; F50-L107 HydrophobicContact CD2-CD2 4.35Å; F50-L107 HydrophobicContact CE2-CD1 4.41Å; F50-L107 HydrophobicContact CE2-CD2 3.74Å; F50-L107 HydrophobicContact CZ-CD2 4.34Å; F50-L120 HydrophobicContact CB-CD2 3.73Å; F50-L120 HydrophobicContact CD1-CB 3.92Å; F50-L120 HydrophobicContact CD1-CD1 4.36Å; F50-L120 HydrophobicContact CD1-CD2 3.81Å; F50-L120 HydrophobicContact CD1-CG 4.24Å; F50-L120 HydrophobicContact CD2-CD1 4.46Å; F50-L120 HydrophobicContact CD2-CD2 4.45Å; F50-L120 HydrophobicContact CE1-CB 4.02Å; F50-L120 HydrophobicContact CE1-CD1 4.41Å; F50-L120 HydrophobicContact CE2-CD1 4.49Å; F50-L120 HydrophobicContact CG-CD1 4.41Å; F50-L120 HydrophobicContact CG-CD2 3.74Å; F50-L120 HydrophobicContact CG-CG 4.48Å; F50-L120 HydrophobicContact CZ-CD1 4.49Å; F50-R122 VanDerWaalsContact CD1-C 3.48Å; F50-R122 WeakPolarHBondContact CD1-O 3.2Å; F50-R122 WeakPolarHBondContact CE1-O 3.26Å; F50-R122 PolarHBondContact N-O 2.8Å; F50-P123 HydrophobicContact CZ-CB 4.37Å; F50-P123 CarbonylContact O-C 3.58Å; F50-P123 WeakPolarHBondContact O-CA 3.47Å; F50-A124 PolarHBondContact O-N 2.64Å |
| 51 | L | 93.8 | Very high | 89.5 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 157.9 | 166.5 | 63.1 | 80.6 | 0 | 0 | 0 | 109.6 | F29 I32 I40 L41 R53 C65 A124 | F29-L51 HydrophobicContact CD1-CD2 4.29Å; F29-L51 HydrophobicContact CD2-CB 3.59Å; F29-L51 HydrophobicContact CD2-CD2 4.49Å; F29-L51 HydrophobicContact CD2-CG 4.48Å; F29-L51 HydrophobicContact CE1-CD2 4.32Å; F29-L51 HydrophobicContact CE2-CB 3.69Å; F29-L51 HydrophobicContact CG-CB 4.19Å; F29-L51 HydrophobicContact CG-CD2 4.37Å; F29-L51 HydrophobicContact CZ-CB 4.34Å; F29-L51 HydrophobicContact CZ-CD2 4.44Å; I32-L51 HydrophobicContact CD1-CD1 3.85Å; I32-L51 HydrophobicContact CD1-CD2 4.21Å; I40-L51 HydrophobicContact CB-CD2 4.28Å; I40-L51 HydrophobicContact CG2-CD2 4.08Å; L41-L51 HydrophobicContact CD1-CD2 4.27Å; L41-L51 HydrophobicContact CD1-CG 4.18Å; L41-L51 HydrophobicContact CD2-CD2 4.3Å; L41-L51 HydrophobicContact CD2-CG 4.47Å; L41-L51 HydrophobicContact CG-CD2 3.94Å; L41-L51 HydrophobicContact CG-CG 4.3Å; L51-R53 HydrophobicContact CD1-CB 4.29Å; L51-R53 HydrophobicContact CD1-CG 4.44Å; L51-C65 HydrophobicContact CD1-CB 3.89Å; L51-C65 HydrophobicContact CG-CB 4.14Å; L51-C65 PolarHBondContact N-O 3.31Å; L51-C65 PolarHBondContact O-N 3.44Å; L51-A124 HydrophobicContact CB-CB 4.29Å; L51-A124 HydrophobicContact CD2-CB 4.23Å |
| 52 | V | 94.6 | Very high | 89.7 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 132.2 | 173.5 | -176.1 | 0 | 0 | 0 | 0 | 108.9 | W27 Y28 F29 L62 V63 L64 M103 L107 | W27-V52 HydrophobicContact CE3-CB 3.73Å; W27-V52 HydrophobicContact CE3-CG1 4.47Å; W27-V52 HydrophobicContact CE3-CG2 3.62Å; W27-V52 HydrophobicContact CZ3-CB 3.96Å; W27-V52 HydrophobicContact CZ3-CG1 4.2Å; W27-V52 HydrophobicContact CZ3-CG2 4.03Å; W27-V52 PolarHBondContact O-N 3.21Å; Y28-V52 CarbonylContact C-O 3.53Å; Y28-V52 WeakPolarHBondContact CA-O 3.34Å; Y28-V52 HydrophobicContact CD2-CB 4.42Å; Y28-V52 HydrophobicContact CD2-CG1 4.23Å; F29-V52 PolarHBondContact N-O 3.3Å; V52-L62 HydrophobicContact CG1-CB 4Å; V52-L62 HydrophobicContact CG1-CD1 4.17Å; V52-L62 HydrophobicContact CG1-CG 4.5Å; V52-V63 WeakPolarHBondContact CA-O 3.43Å; V52-L64 HydrophobicContact CG2-CD1 3.89Å; V52-M103 HydrophobicContact CG1-CE 3.98Å; V52-M103 HydrophobicContact CG2-CE 3.93Å; V52-L107 HydrophobicContact CG2-CD2 4.44Å |
| 53 | R | 93.2 | Very high | 90.1 | Very high | 12 Ų | 12 | 48.1 Ų | 48.1 | 5% | 0.045 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 168.2 | 177.4 | 64.9 | 176.4 | -179.7 | 78.2 | 0.1 | 111.5 | G30 I32 S37 L51 L62 V63 C65 | G30-R53 CarbonylContact O-C 3.55Å; G30-R53 VanDerWaalsContact O-CA 3.25Å; G30-R53 WeakPolarHBondContact O-CA 3.45Å; G30-R53 WeakPolarHBondContact O-CB 3.43Å; I32-R53 HydrophobicContact CD1-CB 4.2Å; I32-R53 HydrophobicContact CG1-CB 3.52Å; I32-R53 HydrophobicContact CG1-CG 4.33Å; S37-R53 PolarHBondContact OG-NE 3.22Å; L51-R53 HydrophobicContact CD1-CB 4.29Å; L51-R53 HydrophobicContact CD1-CG 4.44Å; R53-L62 CarbonylContact O-C 3.44Å; R53-L62 WeakPolarHBondContact O-CA 3.21Å; R53-V63 HydrophobicContact CG-CB 3.96Å; R53-V63 PolarHBondContact N-O 3.11Å; R53-V63 PolarHBondContact O-N 3.29Å; R53-C65 PolarHBondContact NE-SG 3.23Å; R53-C65 VanDerWaalsContact NE-SG 3.45Å |
| 54 | D | 92.5 | Very high | 90.6 | Very high | 56 Ų | 56 | 43.6 Ų | 43.6 | 30% | 0.299 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 146.3 | 170.6 | -66.1 | -13.6 | 0 | 0 | 0 | 110.7 | Y28 G30 A56 L62 | Y28-D54 WeakPolarHBondContact CE2-OD1 3.27Å; Y28-D54 PolarHBondContact OH-OD1 2.92Å; Y28-D54 PolarHBondContact OH-OD2 3.41Å; Y28-D54 VanDerWaalsContact OH-OD2 3.13Å; G30-D54 PolarHBondContact O-N 2.96Å; D54-A56 PolarHBondContact O-N 3.13Å; D54-L62 WeakPolarHBondContact OD1-CD2 3.19Å |
| 55 | S | 92.5 | Very high | 91 | Very high | 9 Ų | 9 | 42.6 Ų | 42.6 | 6% | 0.063 | 25% | 0.252 | C | S | . | . | trans | -83.8 | 111.6 | 178.7 | -174.4 | 0 | 0 | 0 | 0 | 111.5 | T57 R58 S61 | S55-T57 PolarHBondContact O-N 2.95Å; S55-T57 PolarHBondContact OG-OG1 3.29Å; S55-R58 WeakPolarHBondContact CB-O 3.15Å; S55-R58 CarbonylContact O-C 3.52Å; S55-R58 PolarHBondContact O-N 3.39Å; S55-R58 PolarHBondContact OG-N 2.99Å; S55-S61 WeakPolarHBondContact CB-O 3.16Å; S55-S61 PolarHBondContact N-O 2.84Å | ||
| 56 | A | 88.1 | Confident | 91.5 | Very high | 91 Ų | 91 | 35.2 Ų | 35.2 | 75% | 0.752 | 22% | 0.218 | S | C | * | . | S | Bend | trans | -63.7 | -26.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | D54 | D54-A56 PolarHBondContact O-N 3.13Š|
| 57 | T | 87.9 | Confident | 91.8 | Very high | 116 Ų | 116 | 34.7 Ų | 34.7 | 71% | 0.712 | 21% | 0.213 | S | C | * | . | S | Bend | trans | -91.7 | -19.6 | -178 | 56.1 | 0 | 0 | 0 | 0 | 113.3 | S55 | S55-T57 PolarHBondContact O-N 2.95Å; S55-T57 PolarHBondContact OG-OG1 3.29Å |
| 58 | R | 87.1 | Confident | 91.8 | Very high | 130 Ų | 130 | 32 Ų | 32 | 49% | 0.491 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -137.8 | 93.4 | -176.9 | -68.5 | -171.9 | 125.7 | 104.4 | 0.2 | 110.2 | S55 G60 S61 | S55-R58 WeakPolarHBondContact CB-O 3.15Å; S55-R58 CarbonylContact O-C 3.52Å; S55-R58 PolarHBondContact O-N 3.39Å; S55-R58 PolarHBondContact OG-N 2.99Å; R58-G60 PolarHBondContact O-N 3.27Å; R58-S61 WeakPolarHBondContact O-CB 3.5Å; R58-S61 PolarHBondContact O-N 3.44Å |
| 59 | P | 86.6 | Confident | 91.2 | Very high | 129 Ų | 129 | 34.7 Ų | 34.7 | 84% | 0.838 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51.1 | 133.7 | 177.8 | -27.4 | 35.3 | 0 | 0 | 0 | 112.1 | S61 | P59-S61 VanDerWaalsContact C-N 3.25Å; P59-S61 PolarHBondContact O-N 2.97Å |
| 60 | G | 88.1 | Confident | 90.3 | Very high | 61 Ų | 61 | 38.4 Ų | 38.4 | 63% | 0.629 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80 | -8.1 | -178 | 0 | 0 | 0 | 0 | 0 | 115.6 | R58 V82 | R58-G60 PolarHBondContact O-N 3.27Å; G60-V82 WeakPolarHBondContact O-CG2 3.46Å |
| 61 | S | 93.1 | Very high | 89.2 | Confident | 14 Ų | 14 | 40.8 Ų | 40.8 | 10% | 0.098 | 27% | 0.267 | C | S | . | . | trans | -91.9 | 154.7 | 171.3 | -56.7 | 0 | 0 | 0 | 0 | 111.1 | S55 R58 P59 I80 | S55-S61 WeakPolarHBondContact CB-O 3.16Å; S55-S61 PolarHBondContact N-O 2.84Å; R58-S61 WeakPolarHBondContact O-CB 3.5Å; R58-S61 PolarHBondContact O-N 3.44Å; P59-S61 VanDerWaalsContact C-N 3.25Å; P59-S61 PolarHBondContact O-N 2.97Å; S61-I80 WeakPolarHBondContact CA-O 3.43Å; S61-I80 WeakPolarHBondContact CB-O 3.34Å | ||
| 62 | L | 94.9 | Very high | 87.9 | Confident | 21 Ų | 21 | 51 Ų | 51 | 11% | 0.11 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 163.2 | 173.2 | -58.5 | 175.3 | 0 | 0 | 0 | 110.1 | Y28 V52 R53 D54 I80 V82 Y93 M103 | Y28-L62 HydrophobicContact CE2-CD2 3.91Å; V52-L62 HydrophobicContact CG1-CB 4Å; V52-L62 HydrophobicContact CG1-CD1 4.17Å; V52-L62 HydrophobicContact CG1-CG 4.5Å; R53-L62 CarbonylContact O-C 3.44Å; R53-L62 WeakPolarHBondContact O-CA 3.21Å; D54-L62 WeakPolarHBondContact OD1-CD2 3.19Å; L62-I80 HydrophobicContact CB-CB 4.12Å; L62-I80 HydrophobicContact CB-CD1 4.41Å; L62-I80 PolarHBondContact N-O 2.84Å; L62-I80 PolarHBondContact O-N 2.62Å; L62-V82 HydrophobicContact CD1-CG2 4.32Å; L62-V82 HydrophobicContact CG-CG2 4.15Å; L62-Y93 HydrophobicContact CD1-CE1 4.23Å; L62-M103 HydrophobicContact CD1-CE 4.29Å; L62-M103 HydrophobicContact CD1-CG 4.3Å; L62-M103 HydrophobicContact CD1-SD 3.85Å |
| 63 | V | 95.8 | Very high | 87 | Confident | 4 Ų | 4 | 53.9 Ų | 53.9 | 2% | 0.024 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 122 | 172.4 | -172 | 0 | 0 | 0 | 0 | 108.6 | V52 R53 Q77 Y78 | V52-V63 WeakPolarHBondContact CA-O 3.43Å; R53-V63 HydrophobicContact CG-CB 3.96Å; R53-V63 PolarHBondContact N-O 3.11Å; R53-V63 PolarHBondContact O-N 3.29Å; V63-Q77 HydrophobicContact CG1-CB 4Å; V63-Y78 CarbonylContact C-O 3.59Å; V63-Y78 WeakPolarHBondContact CA-O 3.47Å |
| 64 | L | 95.4 | Very high | 86.6 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 112.9 | 168.6 | 174.2 | 64.5 | 0 | 0 | 0 | 108.3 | F50 V52 V66 Y78 I80 I95 L107 L115 L120 | F50-L64 HydrophobicContact CB-CD1 4.05Å; F50-L64 HydrophobicContact CD2-CD1 3.6Å; F50-L64 HydrophobicContact CE2-CD1 4.49Å; F50-L64 HydrophobicContact CG-CD1 4.16Å; V52-L64 HydrophobicContact CG2-CD1 3.89Å; L64-V66 HydrophobicContact CD1-CG2 4.18Å; L64-V66 HydrophobicContact CD2-CG2 4.28Å; L64-V66 HydrophobicContact CG-CG2 3.82Å; L64-Y78 PolarHBondContact N-O 2.85Å; L64-Y78 PolarHBondContact O-N 3Å; L64-I80 HydrophobicContact CB-CD1 3.83Å; L64-I80 HydrophobicContact CB-CG1 4.42Å; L64-I95 HydrophobicContact CD2-CD1 3.97Å; L64-L107 HydrophobicContact CD1-CD2 4.38Å; L64-L115 HydrophobicContact CD2-CD1 3.77Å; L64-L115 HydrophobicContact CD2-CD2 4.45Å; L64-L120 HydrophobicContact CD1-CD2 4.46Å; L64-L120 HydrophobicContact CD2-CD1 4.36Å; L64-L120 HydrophobicContact CD2-CD2 4.45Å |
| 65 | C | 94.6 | Very high | 86.5 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 128.7 | 175.6 | -58.3 | 0 | 0 | 0 | 0 | 108.6 | L41 F50 L51 R53 V75 S76 | L41-C65 HydrophobicContact CD1-CB 3.48Å; L41-C65 VanDerWaalsContact CD1-CB 3.48Å; F50-C65 CarbonylContact C-O 3.53Å; F50-C65 WeakPolarHBondContact CA-O 3.28Å; F50-C65 WeakPolarHBondContact CB-O 3.02Å; L51-C65 HydrophobicContact CD1-CB 3.89Å; L51-C65 HydrophobicContact CG-CB 4.14Å; L51-C65 PolarHBondContact N-O 3.31Å; L51-C65 PolarHBondContact O-N 3.44Å; R53-C65 PolarHBondContact NE-SG 3.23Å; R53-C65 VanDerWaalsContact NE-SG 3.45Å; C65-V75 HydrophobicContact CB-CG1 4.38Å; C65-S76 CarbonylContact C-O 3.59Å; C65-S76 WeakPolarHBondContact CA-O 3.05Å |
| 66 | V | 94.1 | Very high | 86.5 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 132.8 | -176.3 | -169.9 | 0 | 0 | 0 | 0 | 109.4 | V49 F50 L64 E68 V75 S76 Y78 L115 L120 | V49-V66 CarbonylContact O-C 3.52Å; V49-V66 WeakPolarHBondContact O-CA 3.43Å; F50-V66 HydrophobicContact CB-CB 4.47Å; F50-V66 HydrophobicContact CB-CG1 4.43Å; F50-V66 HydrophobicContact CB-CG2 4Å; L64-V66 HydrophobicContact CD1-CG2 4.18Å; L64-V66 HydrophobicContact CD2-CG2 4.28Å; L64-V66 HydrophobicContact CG-CG2 3.82Å; V66-E68 HydrophobicContact CB-CG 4.37Å; V66-E68 HydrophobicContact CG1-CG 3.93Å; V66-E68 PolarHBondContact O-N 2.89Å; V66-V75 CarbonylContact O-C 3.57Å; V66-V75 WeakPolarHBondContact O-CA 3.46Å; V66-S76 PolarHBondContact N-O 2.78Å; V66-S76 PolarHBondContact O-N 2.86Å; V66-Y78 HydrophobicContact CB-CE2 4.41Å; V66-Y78 HydrophobicContact CG2-CD2 4.18Å; V66-Y78 HydrophobicContact CG2-CE2 4.05Å; V66-L115 HydrophobicContact CG2-CD1 3.7Å; V66-L120 HydrophobicContact CG1-CD2 4.14Å; V66-L120 HydrophobicContact CG2-CD2 3.77Å |
| 67 | R | 91.6 | Very high | 86.7 | Confident | 28 Ų | 28 | 51.9 Ų | 51.9 | 11% | 0.106 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 118.4 | 169.9 | 179 | 68.8 | -173.6 | 92.6 | 0.9 | 108.7 | L41 D46 G48 V49 N74 | L41-R67 HydrophobicContact CB-CB 4.5Å; L41-R67 HydrophobicContact CD2-CB 4.39Å; L41-R67 WeakPolarHBondContact O-CD 3.23Å; D46-R67 WeakPolarHBondContact O-CG 3.23Å; G48-R67 PolarHBondContact N-O 3.34Å; V49-R67 HydrophobicContact CB-CB 4.19Å; V49-R67 WeakPolarHBondContact O-CB 3.37Å; V49-R67 PolarHBondContact O-N 3.04Å; R67-N74 WeakPolarHBondContact CD-O 3.45Å; R67-N74 VanDerWaalsContact CZ-CB 3.45Å; R67-N74 VanDerWaalsContact NH1-CA 3.27Å; R67-N74 VanDerWaalsContact NH1-CG 3.28Å; R67-N74 PolarHBondContact NH1-O 2.94Å; R67-N74 PolarHBondContact NH1-OD1 2.67Å; R67-N74 VanDerWaalsContact NH1-OD1 3.08Å; R67-N74 VanDerWaalsContact NH2-CG 3.32Å; R67-N74 PolarHBondContact NH2-OD1 2.87Å |
| 68 | E | 88.2 | Confident | 86.9 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 28% | 0.284 | C | S | . | . | trans | -136.5 | 113.3 | 177.8 | -64.6 | -166.6 | 132.1 | 0 | 0 | 109.3 | V66 K71 N74 S76 Y78 T117 S118 | V66-E68 HydrophobicContact CB-CG 4.37Å; V66-E68 HydrophobicContact CG1-CG 3.93Å; V66-E68 PolarHBondContact O-N 2.89Å; E68-K71 WeakPolarHBondContact OE2-CE 3.23Å; E68-K71 IonicContact OE2-NZ 3.8Å; E68-K71 PolarHBondContact OE2-NZ 3.16Å; E68-N74 PolarHBondContact N-O 2.92Å; E68-N74 CarbonylContact O-C 3.49Å; E68-N74 WeakPolarHBondContact O-CA 3.37Å; E68-N74 VanDerWaalsContact O-O 3.12Å; E68-S76 WeakPolarHBondContact OE2-CB 3.43Å; E68-S76 PolarHBondContact OE2-OG 2.81Å; E68-Y78 PolarHBondContact OE2-OH 2.94Å; E68-T117 WeakPolarHBondContact CB-OG1 3.34Å; E68-T117 PolarHBondContact OE1-N 2.8Å; E68-T117 PolarHBondContact OE1-OG1 2.94Å; E68-S118 VanDerWaalsContact CG-OG 3.32Å; E68-S118 WeakPolarHBondContact CG-OG 3.37Å; E68-S118 PolarHBondContact OE1-N 3.13Å; E68-S118 PolarHBondContact OE1-OG 2.99Å | ||
| 69 | S | 78 | Confident | 87.3 | Confident | 57 Ų | 57 | 44.7 Ų | 44.7 | 40% | 0.399 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | 146.1 | 171.9 | 79.8 | 0 | 0 | 0 | 0 | 110 | D47 | D47-S69 VanDerWaalsContact CG-N 3.34Å; D47-S69 WeakPolarHBondContact OD1-CB 3.34Å; D47-S69 PolarHBondContact OD1-N 3.27Å; D47-S69 PolarHBondContact OD1-OG 2.94Å; D47-S69 WeakPolarHBondContact OD2-CB 3.3Å; D47-S69 PolarHBondContact OD2-N 2.8Å; D47-S69 PolarHBondContact OD2-OG 3.19Å |
| 70 | G | 71.3 | Confident | 87.7 | Confident | 79 Ų | 79 | 38.6 Ų | 38.6 | 81% | 0.814 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 104.5 | 3.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 71 | K | 71.7 | Confident | 87.9 | Confident | 50 Ų | 50 | 38.3 Ų | 38.3 | 22% | 0.217 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -114 | 164.8 | 171.4 | -64.4 | -175.9 | -163.4 | 165.1 | 0 | 111.9 | E68 S73 S76 E116 | E68-K71 WeakPolarHBondContact OE2-CE 3.23Å; E68-K71 IonicContact OE2-NZ 3.8Å; E68-K71 PolarHBondContact OE2-NZ 3.16Å; K71-S73 WeakPolarHBondContact CB-O 3.5Å; K71-S73 PolarHBondContact O-N 2.84Å; K71-S76 PolarHBondContact NZ-OG 3.33Å; K71-E116 WeakPolarHBondContact CE-OE1 3.14Å; K71-E116 IonicContact NZ-OE1 3.67Å; K71-E116 PolarHBondContact NZ-OE1 2.79Å; K71-E116 IonicContact NZ-OE2 3.77Å; K71-E116 PolarHBondContact NZ-OE2 3.07Å |
| 72 | E | 67.6 | Low | 87.9 | Confident | 214 Ų | 214 | 39 Ų | 39 | 100% | 1 | 22% | 0.221 | S | C | * | . | S | Bend | trans | -54.4 | -39 | 172.6 | -65 | -171.3 | 168.4 | 0 | 0 | 111.7 | ||
| 73 | S | 74.9 | Confident | 87.5 | Confident | 60 Ų | 60 | 42.9 Ų | 42.9 | 42% | 0.42 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -106.4 | 118.7 | 169 | -158.4 | 0 | 0 | 0 | 0 | 109.4 | K71 V75 | K71-S73 WeakPolarHBondContact CB-O 3.5Å; K71-S73 PolarHBondContact O-N 2.84Å; S73-V75 PolarHBondContact O-N 2.85Å |
| 74 | N | 85.1 | Confident | 87 | Confident | 57 Ų | 57 | 51.5 Ų | 51.5 | 31% | 0.305 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -58 | -9.1 | 173.1 | -84.4 | -33.3 | 0 | 0 | 0 | 114 | M42 R67 E68 | M42-N74 HydrophobicContact CE-CB 3.73Å; M42-N74 HydrophobicContact SD-CB 3.6Å; R67-N74 WeakPolarHBondContact CD-O 3.45Å; R67-N74 VanDerWaalsContact CZ-CB 3.45Å; R67-N74 VanDerWaalsContact NH1-CA 3.27Å; R67-N74 VanDerWaalsContact NH1-CG 3.28Å; R67-N74 PolarHBondContact NH1-O 2.94Å; R67-N74 PolarHBondContact NH1-OD1 2.67Å; R67-N74 VanDerWaalsContact NH1-OD1 3.08Å; R67-N74 VanDerWaalsContact NH2-CG 3.32Å; R67-N74 PolarHBondContact NH2-OD1 2.87Å; E68-N74 PolarHBondContact N-O 2.92Å; E68-N74 CarbonylContact O-C 3.49Å; E68-N74 WeakPolarHBondContact O-CA 3.37Å; E68-N74 VanDerWaalsContact O-O 3.12Å |
| 75 | V | 90.3 | Very high | 86.1 | Confident | 6 Ų | 6 | 55.9 Ų | 55.9 | 4% | 0.036 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 117.9 | -178.8 | -179.3 | 0 | 0 | 0 | 0 | 110.1 | N38 L41 M42 C65 V66 S73 Q77 | N38-V75 WeakPolarHBondContact OD1-CB 3.48Å; N38-V75 VanDerWaalsContact OD1-CG1 3.25Å; N38-V75 WeakPolarHBondContact OD1-CG1 3.09Å; L41-V75 HydrophobicContact CB-CG1 4.49Å; L41-V75 HydrophobicContact CB-CG2 3.85Å; L41-V75 HydrophobicContact CD1-CG1 3.61Å; L41-V75 HydrophobicContact CD1-CG2 4.46Å; M42-V75 HydrophobicContact CE-CG2 4.25Å; M42-V75 HydrophobicContact CG-CG2 4.26Å; M42-V75 HydrophobicContact SD-CG2 4.36Å; C65-V75 HydrophobicContact CB-CG1 4.38Å; V66-V75 CarbonylContact O-C 3.57Å; V66-V75 WeakPolarHBondContact O-CA 3.46Å; S73-V75 PolarHBondContact O-N 2.85Å; V75-Q77 HydrophobicContact CG1-CG 4.45Å |
| 76 | S | 91.7 | Very high | 84.8 | Confident | 12 Ų | 12 | 62 Ų | 62 | 8% | 0.084 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 142.1 | 173.1 | -56.4 | 0 | 0 | 0 | 0 | 110.3 | C65 V66 E68 K71 Y78 | C65-S76 CarbonylContact C-O 3.59Å; C65-S76 WeakPolarHBondContact CA-O 3.05Å; V66-S76 PolarHBondContact N-O 2.78Å; V66-S76 PolarHBondContact O-N 2.86Å; E68-S76 WeakPolarHBondContact OE2-CB 3.43Å; E68-S76 PolarHBondContact OE2-OG 2.81Å; K71-S76 PolarHBondContact NZ-OG 3.33Å; S76-Y78 WeakPolarHBondContact CB-OH 3.29Å |
| 77 | Q | 92.2 | Very high | 83.6 | Confident | 51 Ų | 51 | 68 Ų | 68 | 24% | 0.238 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 116.1 | -179.5 | -56.5 | -171 | 22.4 | 0 | 0 | 110.1 | R34 N38 V63 V75 | R34-Q77 VanDerWaalsContact NE-NE2 3.2Å; N38-Q77 PolarHBondContact ND2-NE2 3.37Å; N38-Q77 PolarHBondContact OD1-NE2 3.34Å; V63-Q77 HydrophobicContact CG1-CB 4Å; V75-Q77 HydrophobicContact CG1-CG 4.45Å |
| 78 | Y | 93.6 | Very high | 82.3 | Confident | 39 Ų | 39 | 69.7 Ų | 69.7 | 15% | 0.153 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 125 | -178.5 | -54.8 | -82.4 | 0 | 0 | 0 | 110.1 | V63 L64 V66 E68 S76 I95 L115 E116 | V63-Y78 CarbonylContact C-O 3.59Å; V63-Y78 WeakPolarHBondContact CA-O 3.47Å; L64-Y78 PolarHBondContact N-O 2.85Å; L64-Y78 PolarHBondContact O-N 3Å; V66-Y78 HydrophobicContact CB-CE2 4.41Å; V66-Y78 HydrophobicContact CG2-CD2 4.18Å; V66-Y78 HydrophobicContact CG2-CE2 4.05Å; E68-Y78 PolarHBondContact OE2-OH 2.94Å; S76-Y78 WeakPolarHBondContact CB-OH 3.29Å; Y78-I95 HydrophobicContact CG-CD1 4.32Å; Y78-L115 HydrophobicContact CD1-CD2 4.35Å; Y78-L115 HydrophobicContact CD2-CD1 4.05Å; Y78-L115 HydrophobicContact CD2-CD2 4.17Å; Y78-L115 HydrophobicContact CE1-CB 4.27Å; Y78-L115 HydrophobicContact CE1-CD2 4.43Å; Y78-L115 HydrophobicContact CE2-CB 3.86Å; Y78-L115 HydrophobicContact CE2-CD1 3.83Å; Y78-L115 HydrophobicContact CE2-CD2 4.25Å; Y78-L115 HydrophobicContact CE2-CG 4.2Å; Y78-L115 HydrophobicContact CG-CD2 4.23Å; Y78-E116 VanDerWaalsContact OH-CB 3.29Å; Y78-E116 WeakPolarHBondContact OH-CB 3.18Å; Y78-E116 PolarHBondContact OH-OE2 2.88Å |
| 79 | I | 93.8 | Very high | 81.3 | Confident | 57 Ų | 57 | 77.4 Ų | 77.4 | 29% | 0.292 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 130.2 | 176.9 | -61.9 | 176.6 | 0 | 0 | 0 | 109 | ||
| 80 | I | 95 | Very high | 80.9 | Confident | 0 Ų | 0 | 75.5 Ų | 75.5 | 0% | 0 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 111.5 | 172.8 | -56.1 | 166 | 0 | 0 | 0 | 107.8 | S61 L62 L64 Y93 K94 I95 M103 L106 | S61-I80 WeakPolarHBondContact CA-O 3.43Å; S61-I80 WeakPolarHBondContact CB-O 3.34Å; L62-I80 HydrophobicContact CB-CB 4.12Å; L62-I80 HydrophobicContact CB-CD1 4.41Å; L62-I80 PolarHBondContact N-O 2.84Å; L62-I80 PolarHBondContact O-N 2.62Å; L64-I80 HydrophobicContact CB-CD1 3.83Å; L64-I80 HydrophobicContact CB-CG1 4.42Å; I80-Y93 HydrophobicContact CG2-CD1 3.99Å; I80-K94 CarbonylContact C-O 3.49Å; I80-K94 VanDerWaalsContact CA-O 3.31Å; I80-K94 WeakPolarHBondContact CA-O 3.27Å; I80-I95 HydrophobicContact CG1-CB 4.16Å; I80-I95 HydrophobicContact CG1-CD1 4.11Å; I80-I95 HydrophobicContact CG1-CG1 4.36Å; I80-M103 HydrophobicContact CD1-CE 4.02Å; I80-M103 HydrophobicContact CD1-SD 4.13Å; I80-M103 HydrophobicContact CG2-SD 4.4Å; I80-L106 HydrophobicContact CD1-CD1 4.16Å; I80-L106 HydrophobicContact CD1-CD2 4.41Å; I80-L106 HydrophobicContact CG1-CD1 4.29Å; I80-L106 HydrophobicContact CG2-CD1 4.01Å |
| 81 | H | 93.6 | Very high | 81.6 | Confident | 56 Ų | 56 | 75.7 Ų | 75.7 | 26% | 0.259 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 123.9 | 173.3 | -63.1 | -69.1 | 0 | 0 | 0 | 109.8 | Y93 K94 | H81-Y93 WeakPolarHBondContact O-CA 3.44Å; H81-K94 HydrophobicContact CB-CB 4.28Å; H81-K94 PolarHBondContact N-O 2.65Å; H81-K94 PolarHBondContact O-N 2.93Å |
| 82 | V | 92.1 | Very high | 82.4 | Confident | 29 Ų | 29 | 74.5 Ų | 74.5 | 18% | 0.176 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 106.1 | 174.9 | -170.9 | 0 | 0 | 0 | 0 | 107.9 | G60 L62 A92 Y93 | G60-V82 WeakPolarHBondContact O-CG2 3.46Å; L62-V82 HydrophobicContact CD1-CG2 4.32Å; L62-V82 HydrophobicContact CG-CG2 4.15Å; V82-A92 WeakPolarHBondContact CA-O 3.43Å; V82-Y93 HydrophobicContact CB-CE1 4.37Å; V82-Y93 HydrophobicContact CG1-CD1 4.33Å; V82-Y93 HydrophobicContact CG1-CE1 3.87Å; V82-Y93 HydrophobicContact CG2-CD1 3.77Å; V82-Y93 HydrophobicContact CG2-CE1 3.67Å |
| 83 | H | 88 | Confident | 83.7 | Confident | 101 Ų | 101 | 65.9 Ų | 65.9 | 47% | 0.468 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 127.6 | 171.9 | -65.2 | -78 | 0 | 0 | 0 | 108.2 | Q91 A92 | H83-Q91 CarbonylContact O-C 3.59Å; H83-Q91 VanDerWaalsContact O-CA 3.28Å; H83-Q91 WeakPolarHBondContact O-CA 3.21Å; H83-A92 HydrophobicContact CB-CB 4.39Å; H83-A92 PolarHBondContact N-O 2.59Å; H83-A92 PolarHBondContact O-N 2.78Å |
| 84 | R | 84.1 | Confident | 84.6 | Confident | 186 Ų | 186 | 66.4 Ų | 66.4 | 70% | 0.702 | 36% | 0.356 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 129.6 | 172.2 | -59.7 | -173.8 | 179 | 165.3 | 1 | 107.4 | Q91 | R84-Q91 HydrophobicContact CG-CG 4.12Å |
| 85 | D | 77.1 | Confident | 84.9 | Confident | 92 Ų | 92 | 63.9 Ų | 63.9 | 49% | 0.492 | 34% | 0.342 | S | S | . | . | trans | -64.6 | 148.8 | 175.4 | -70.6 | -23.3 | 0 | 0 | 0 | 109.9 | D87 G88 G90 | D85-D87 PolarHBondContact O-N 2.83Å; D85-D87 VanDerWaalsContact O-N 3.15Å; D85-G88 PolarHBondContact O-N 2.84Å; D85-G90 PolarHBondContact N-O 2.88Å | ||
| 86 | C | 68 | Low | 84.9 | Confident | 127 Ų | 127 | 66.1 Ų | 66.1 | 86% | 0.858 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -27.3 | 177.8 | 53.6 | 0 | 0 | 0 | 0 | 112.8 | G88 | C86-G88 PolarHBondContact O-N 2.88Š|
| 87 | D | 68.8 | Low | 84.8 | Confident | 127 Ų | 127 | 73.8 Ų | 73.8 | 68% | 0.679 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | 0.6 | -178.2 | -56.7 | -27.5 | 0 | 0 | 0 | 112.8 | D85 N89 | D85-D87 PolarHBondContact O-N 2.83Å; D85-D87 VanDerWaalsContact O-N 3.15Å; D87-N89 PolarHBondContact O-N 2.85Å |
| 88 | G | 63.5 | Low | 84.8 | Confident | 64 Ų | 64 | 75.9 Ų | 75.9 | 66% | 0.66 | 41% | 0.411 | S | S | * | . | S | Bend | trans | 69.4 | -8.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | D85 C86 | D85-G88 PolarHBondContact O-N 2.84Å; C86-G88 PolarHBondContact O-N 2.88Å |
| 89 | N | 66.1 | Low | 84.8 | Confident | 161 Ų | 161 | 78 Ų | 78 | 86% | 0.861 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -87.4 | -17.2 | -175.2 | -74.1 | -27 | 0 | 0 | 0 | 114.2 | D87 | D87-N89 PolarHBondContact O-N 2.85Š|
| 90 | G | 70.3 | Confident | 84.8 | Confident | 18 Ų | 18 | 76.2 Ų | 76.2 | 19% | 0.186 | 42% | 0.418 | C | S | . | . | trans | -123 | 139.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | D85 | D85-G90 PolarHBondContact N-O 2.88Š| ||
| 91 | Q | 85.5 | Confident | 84.6 | Confident | 82 Ų | 82 | 79.7 Ų | 79.7 | 38% | 0.383 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 144.4 | 162.2 | -57.8 | -167.8 | -3.3 | 0 | 0 | 108.1 | H83 R84 Y93 | H83-Q91 CarbonylContact O-C 3.59Å; H83-Q91 VanDerWaalsContact O-CA 3.28Å; H83-Q91 WeakPolarHBondContact O-CA 3.21Å; R84-Q91 HydrophobicContact CG-CG 4.12Å; Q91-Y93 HydrophobicContact CB-CE2 4.03Å; Q91-Y93 PolarHBondContact OE1-OH 2.76Å; Q91-Y93 VanDerWaalsContact OE1-OH 3.04Å |
| 92 | A | 89.8 | Confident | 84.4 | Confident | 25 Ų | 25 | 79.8 Ų | 79.8 | 21% | 0.207 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 137.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | V82 H83 T99 F100 | V82-A92 WeakPolarHBondContact CA-O 3.43Å; H83-A92 HydrophobicContact CB-CB 4.39Å; H83-A92 PolarHBondContact N-O 2.59Å; H83-A92 PolarHBondContact O-N 2.78Å; A92-T99 HydrophobicContact CB-CG2 4.07Å; A92-F100 WeakPolarHBondContact CA-O 3.05Å |
| 93 | Y | 93.5 | Very high | 84.4 | Confident | 34 Ų | 34 | 78.8 Ų | 78.8 | 13% | 0.133 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 111.6 | -175.7 | -65.2 | -95.3 | 0 | 0 | 0 | 109.1 | L62 I80 H81 V82 Q91 T99 F100 D102 M103 | L62-Y93 HydrophobicContact CD1-CE1 4.23Å; I80-Y93 HydrophobicContact CG2-CD1 3.99Å; H81-Y93 WeakPolarHBondContact O-CA 3.44Å; V82-Y93 HydrophobicContact CB-CE1 4.37Å; V82-Y93 HydrophobicContact CG1-CD1 4.33Å; V82-Y93 HydrophobicContact CG1-CE1 3.87Å; V82-Y93 HydrophobicContact CG2-CD1 3.77Å; V82-Y93 HydrophobicContact CG2-CE1 3.67Å; Q91-Y93 HydrophobicContact CB-CE2 4.03Å; Q91-Y93 PolarHBondContact OE1-OH 2.76Å; Q91-Y93 VanDerWaalsContact OE1-OH 3.04Å; Y93-T99 CarbonylContact O-C 3.39Å; Y93-T99 WeakPolarHBondContact O-CA 3.22Å; Y93-F100 PolarHBondContact N-O 2.93Å; Y93-F100 PolarHBondContact O-N 3.11Å; Y93-D102 VanDerWaalsContact CD2-CA 3.46Å; Y93-D102 HydrophobicContact CE2-CB 4.49Å; Y93-M103 HydrophobicContact CD1-CG 3.67Å; Y93-M103 HydrophobicContact CD1-SD 3.48Å; Y93-M103 WeakPolarHBondContact CD1-SD 3.46Å; Y93-M103 HydrophobicContact CE1-CG 3.42Å; Y93-M103 VanDerWaalsContact CE1-CG 3.42Å; Y93-M103 HydrophobicContact CE1-SD 3.81Å; Y93-M103 HydrophobicContact CE2-CG 4.42Å; Y93-M103 HydrophobicContact CG-CG 4.28Å; Y93-M103 HydrophobicContact CG-SD 4.17Å |
| 94 | K | 93.7 | Very high | 84.6 | Confident | 70 Ų | 70 | 74.9 Ų | 74.9 | 30% | 0.304 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 125.2 | -178 | 178 | 178.5 | 178.3 | 178.3 | 0 | 111.3 | I80 H81 G96 Q98 | I80-K94 CarbonylContact C-O 3.49Å; I80-K94 VanDerWaalsContact CA-O 3.31Å; I80-K94 WeakPolarHBondContact CA-O 3.27Å; H81-K94 HydrophobicContact CB-CB 4.28Å; H81-K94 PolarHBondContact N-O 2.65Å; H81-K94 PolarHBondContact O-N 2.93Å; K94-G96 WeakPolarHBondContact CE-O 3.42Å; K94-Q98 CarbonylContact C-O 3.5Å; K94-Q98 VanDerWaalsContact CA-O 3.27Å; K94-Q98 WeakPolarHBondContact CA-O 3.42Å; K94-Q98 WeakPolarHBondContact CG-O 3.48Å |
| 95 | I | 93.1 | Very high | 85 | Confident | 4 Ų | 4 | 69 Ų | 69 | 2% | 0.021 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 116.7 | 177.1 | 180 | 173 | 0 | 0 | 0 | 108.9 | L64 Y78 I80 Q97 Q98 F100 L106 Y110 L115 | L64-I95 HydrophobicContact CD2-CD1 3.97Å; Y78-I95 HydrophobicContact CG-CD1 4.32Å; I80-I95 HydrophobicContact CG1-CB 4.16Å; I80-I95 HydrophobicContact CG1-CD1 4.11Å; I80-I95 HydrophobicContact CG1-CG1 4.36Å; I95-Q97 PolarHBondContact O-N 3.48Å; I95-Q97 VanDerWaalsContact O-N 3.14Å; I95-Q98 PolarHBondContact N-O 2.83Å; I95-Q98 PolarHBondContact O-N 3.15Å; I95-F100 HydrophobicContact CG2-CD2 4.05Å; I95-F100 HydrophobicContact CG2-CE2 3.57Å; I95-L106 HydrophobicContact CB-CD1 4.27Å; I95-L106 HydrophobicContact CG2-CD1 3.69Å; I95-L106 HydrophobicContact CG2-CG 4.06Å; I95-Y110 HydrophobicContact CD1-CE2 4.22Å; I95-Y110 HydrophobicContact CG2-CE2 3.64Å; I95-L115 HydrophobicContact CD1-CD2 3.91Å |
| 96 | G | 89.8 | Confident | 85.8 | Confident | 53 Ų | 53 | 64.6 Ų | 64.6 | 55% | 0.546 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.6 | -117.2 | -168.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | K94 | K94-G96 WeakPolarHBondContact CE-O 3.42Š|
| 97 | Q | 89.5 | Confident | 87 | Confident | 174 Ų | 174 | 58.6 Ų | 58.6 | 81% | 0.813 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.6 | -7.3 | 179.5 | -58.4 | -64 | 75.9 | 0 | 0 | 113.7 | I95 | I95-Q97 PolarHBondContact O-N 3.48Å; I95-Q97 VanDerWaalsContact O-N 3.14Å |
| 98 | Q | 92.4 | Very high | 88.1 | Confident | 94 Ų | 94 | 55.3 Ų | 55.3 | 44% | 0.439 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 143.2 | -177.5 | -63.6 | -65.5 | -10.8 | 0 | 0 | 110.9 | K94 I95 F100 | K94-Q98 CarbonylContact C-O 3.5Å; K94-Q98 VanDerWaalsContact CA-O 3.27Å; K94-Q98 WeakPolarHBondContact CA-O 3.42Å; K94-Q98 WeakPolarHBondContact CG-O 3.48Å; I95-Q98 PolarHBondContact N-O 2.83Å; I95-Q98 PolarHBondContact O-N 3.15Å; Q98-F100 HydrophobicContact CB-CD2 4.48Å; Q98-F100 HydrophobicContact CB-CE2 3.56Å; Q98-F100 HydrophobicContact CB-CZ 3.82Å; Q98-F100 HydrophobicContact CG-CZ 4.5Å |
| 99 | T | 92.8 | Very high | 89.4 | Confident | 84 Ų | 84 | 55 Ų | 55 | 52% | 0.515 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 134.8 | 176.8 | -53.8 | 0 | 0 | 0 | 0 | 109.6 | A92 Y93 | A92-T99 HydrophobicContact CB-CG2 4.07Å; Y93-T99 CarbonylContact O-C 3.39Å; Y93-T99 WeakPolarHBondContact O-CA 3.22Å |
| 100 | F | 93.5 | Very high | 90.6 | Very high | 19 Ų | 19 | 48.2 Ų | 48.2 | 8% | 0.083 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 151.1 | -176.3 | -59.3 | -84 | 0 | 0 | 0 | 110.4 | A92 Y93 I95 Q98 T105 L106 F109 Y110 | A92-F100 WeakPolarHBondContact CA-O 3.05Å; Y93-F100 PolarHBondContact N-O 2.93Å; Y93-F100 PolarHBondContact O-N 3.11Å; I95-F100 HydrophobicContact CG2-CD2 4.05Å; I95-F100 HydrophobicContact CG2-CE2 3.57Å; Q98-F100 HydrophobicContact CB-CD2 4.48Å; Q98-F100 HydrophobicContact CB-CE2 3.56Å; Q98-F100 HydrophobicContact CB-CZ 3.82Å; Q98-F100 HydrophobicContact CG-CZ 4.5Å; F100-T105 HydrophobicContact CD1-CG2 4.14Å; F100-L106 HydrophobicContact CB-CB 3.92Å; F100-L106 HydrophobicContact CD1-CB 4.25Å; F100-L106 HydrophobicContact CD2-CB 3.68Å; F100-L106 HydrophobicContact CD2-CD1 3.72Å; F100-L106 HydrophobicContact CD2-CG 3.58Å; F100-L106 HydrophobicContact CE2-CB 4.25Å; F100-L106 HydrophobicContact CE2-CD1 4.25Å; F100-L106 HydrophobicContact CE2-CG 3.84Å; F100-L106 HydrophobicContact CG-CB 3.67Å; F100-L106 HydrophobicContact CG-CD1 4.45Å; F100-L106 HydrophobicContact CG-CG 4.13Å; F100-F109 HydrophobicContact CD1-CB 4.47Å; F100-F109 HydrophobicContact CE1-CB 3.54Å; F100-F109 AromaticContact CE1-CD1 3.93Å; F100-F109 HydrophobicContact CE1-CD1 3.93Å; F100-F109 HydrophobicContact CE1-CD2 4.05Å; F100-F109 AromaticContact CE1-CG 3.57Å; F100-F109 HydrophobicContact CE1-CG 3.57Å; F100-F109 HydrophobicContact CZ-CB 3.98Å; F100-F109 AromaticContact CZ-CD1 3.59Å; F100-F109 HydrophobicContact CZ-CD1 3.59Å; F100-F109 HydrophobicContact CZ-CD2 4.46Å; F100-F109 HydrophobicContact CZ-CE1 4.16Å; F100-F109 AromaticContact CZ-CG 3.76Å; F100-F109 HydrophobicContact CZ-CG 3.76Å; F100-Y110 AromaticContact CE2-CE2 3.88Å; F100-Y110 HydrophobicContact CE2-CE2 3.88Å; F100-Y110 AromaticContact CZ-CE2 3.93Å; F100-Y110 HydrophobicContact CZ-CE2 3.93Å |
| 101 | A | 90.7 | Very high | 91.6 | Very high | 74 Ų | 74 | 49.1 Ų | 49.1 | 61% | 0.612 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -70.1 | -34.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 102 | D | 91.1 | Very high | 91.5 | Very high | 57 Ų | 57 | 51.9 Ų | 51.9 | 31% | 0.305 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -151.2 | 168.8 | 179.8 | 60.9 | 30 | 0 | 0 | 0 | 112.1 | Y93 P104 T105 L106 | Y93-D102 VanDerWaalsContact CD2-CA 3.46Å; Y93-D102 HydrophobicContact CE2-CB 4.49Å; D102-P104 WeakPolarHBondContact OD1-CD 3.39Å; D102-T105 PolarHBondContact O-N 3.46Å; D102-T105 WeakPolarHBondContact OD1-CA 3.36Å; D102-T105 WeakPolarHBondContact OD1-CB 3.36Å; D102-T105 PolarHBondContact OD1-N 2.97Å; D102-T105 PolarHBondContact OD1-OG1 2.93Å; D102-L106 PolarHBondContact O-N 3.27Å; D102-L106 VanDerWaalsContact O-N 3.17Å |
| 103 | M | 91.9 | Very high | 91.3 | Very high | 8 Ų | 8 | 54.9 Ų | 54.9 | 4% | 0.039 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60.2 | -44.7 | 176.1 | -77.9 | -63 | -62.2 | 0 | 0 | 113 | W27 V52 L62 I80 Y93 T105 L106 L107 | W27-M103 HydrophobicContact CE3-CE 4.47Å; W27-M103 HydrophobicContact CH2-CB 3.82Å; W27-M103 HydrophobicContact CH2-CE 4Å; W27-M103 HydrophobicContact CH2-CG 4.12Å; W27-M103 HydrophobicContact CZ2-CB 4.24Å; W27-M103 HydrophobicContact CZ3-CE 3.73Å; V52-M103 HydrophobicContact CG1-CE 3.98Å; V52-M103 HydrophobicContact CG2-CE 3.93Å; L62-M103 HydrophobicContact CD1-CE 4.29Å; L62-M103 HydrophobicContact CD1-CG 4.3Å; L62-M103 HydrophobicContact CD1-SD 3.85Å; I80-M103 HydrophobicContact CD1-CE 4.02Å; I80-M103 HydrophobicContact CD1-SD 4.13Å; I80-M103 HydrophobicContact CG2-SD 4.4Å; Y93-M103 HydrophobicContact CD1-CG 3.67Å; Y93-M103 HydrophobicContact CD1-SD 3.48Å; Y93-M103 WeakPolarHBondContact CD1-SD 3.46Å; Y93-M103 HydrophobicContact CE1-CG 3.42Å; Y93-M103 VanDerWaalsContact CE1-CG 3.42Å; Y93-M103 HydrophobicContact CE1-SD 3.81Å; Y93-M103 HydrophobicContact CE2-CG 4.42Å; Y93-M103 HydrophobicContact CG-CG 4.28Å; Y93-M103 HydrophobicContact CG-SD 4.17Å; M103-T105 VanDerWaalsContact C-N 3.32Å; M103-T105 PolarHBondContact O-N 3.44Å; M103-L106 WeakPolarHBondContact O-CB 3.03Å; M103-L106 PolarHBondContact O-N 2.68Å; M103-L106 HydrophobicContact SD-CD1 4.46Å; M103-L107 HydrophobicContact CE-CG 4.44Å; M103-L107 WeakPolarHBondContact O-CG 3.48Å; M103-L107 PolarHBondContact O-N 2.73Å |
| 104 | P | 92.2 | Very high | 90.9 | Very high | 20 Ų | 20 | 60.7 Ų | 60.7 | 13% | 0.13 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -58.6 | -40.8 | 178.8 | -27.8 | 35.8 | 0 | 0 | 0 | 113.9 | P21 Y22 D102 L107 N108 | P21-P104 HydrophobicContact CB-CB 4.06Å; P21-P104 HydrophobicContact CG-CB 4.45Å; Y22-P104 HydrophobicContact CD1-CB 3.81Å; Y22-P104 HydrophobicContact CD1-CG 3.71Å; Y22-P104 HydrophobicContact CE1-CB 3.66Å; Y22-P104 HydrophobicContact CE1-CG 3.91Å; Y22-P104 HydrophobicContact CE2-CB 4.39Å; Y22-P104 HydrophobicContact CG-CB 4.24Å; Y22-P104 HydrophobicContact CG-CG 4.34Å; D102-P104 WeakPolarHBondContact OD1-CD 3.39Å; P104-L107 PolarHBondContact O-N 3Å; P104-N108 WeakPolarHBondContact O-CB 3.42Å; P104-N108 PolarHBondContact O-N 2.77Å |
| 105 | T | 92 | Very high | 90.5 | Very high | 62 Ų | 62 | 58.8 Ų | 58.8 | 38% | 0.38 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -65 | -43.2 | 177.2 | -56.8 | 0 | 0 | 0 | 0 | 111.1 | F100 D102 M103 N108 F109 | F100-T105 HydrophobicContact CD1-CG2 4.14Å; D102-T105 PolarHBondContact O-N 3.46Å; D102-T105 WeakPolarHBondContact OD1-CA 3.36Å; D102-T105 WeakPolarHBondContact OD1-CB 3.36Å; D102-T105 PolarHBondContact OD1-N 2.97Å; D102-T105 PolarHBondContact OD1-OG1 2.93Å; M103-T105 VanDerWaalsContact C-N 3.32Å; M103-T105 PolarHBondContact O-N 3.44Å; T105-N108 PolarHBondContact O-N 3.16Å; T105-F109 WeakPolarHBondContact O-CB 3.37Å; T105-F109 PolarHBondContact O-N 2.86Å |
| 106 | L | 93.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -57.7 | -53.4 | 174 | -177 | 161.1 | 0 | 0 | 0 | 110.9 | I80 I95 F100 D102 M103 N108 F109 Y110 | I80-L106 HydrophobicContact CD1-CD1 4.16Å; I80-L106 HydrophobicContact CD1-CD2 4.41Å; I80-L106 HydrophobicContact CG1-CD1 4.29Å; I80-L106 HydrophobicContact CG2-CD1 4.01Å; I95-L106 HydrophobicContact CB-CD1 4.27Å; I95-L106 HydrophobicContact CG2-CD1 3.69Å; I95-L106 HydrophobicContact CG2-CG 4.06Å; F100-L106 HydrophobicContact CB-CB 3.92Å; F100-L106 HydrophobicContact CD1-CB 4.25Å; F100-L106 HydrophobicContact CD2-CB 3.68Å; F100-L106 HydrophobicContact CD2-CD1 3.72Å; F100-L106 HydrophobicContact CD2-CG 3.58Å; F100-L106 HydrophobicContact CE2-CB 4.25Å; F100-L106 HydrophobicContact CE2-CD1 4.25Å; F100-L106 HydrophobicContact CE2-CG 3.84Å; F100-L106 HydrophobicContact CG-CB 3.67Å; F100-L106 HydrophobicContact CG-CD1 4.45Å; F100-L106 HydrophobicContact CG-CG 4.13Å; D102-L106 PolarHBondContact O-N 3.27Å; D102-L106 VanDerWaalsContact O-N 3.17Å; M103-L106 WeakPolarHBondContact O-CB 3.03Å; M103-L106 PolarHBondContact O-N 2.68Å; M103-L106 HydrophobicContact SD-CD1 4.46Å; L106-N108 VanDerWaalsContact C-N 3.32Å; L106-N108 PolarHBondContact O-N 3.5Å; L106-F109 WeakPolarHBondContact O-CB 3.41Å; L106-F109 PolarHBondContact O-N 3.4Å; L106-Y110 HydrophobicContact CD2-CD2 3.92Å; L106-Y110 HydrophobicContact CD2-CE2 4.22Å; L106-Y110 HydrophobicContact CG-CD2 4.29Å; L106-Y110 HydrophobicContact CG-CE2 4.25Å; L106-Y110 VanDerWaalsContact O-CD2 3.29Å; L106-Y110 WeakPolarHBondContact O-CD2 3.19Å; L106-Y110 PolarHBondContact O-N 2.6Å |
| 107 | L | 93.2 | Very high | 89.5 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62.6 | -41 | -178.4 | -67.4 | 176.7 | 0 | 0 | 0 | 111.4 | F19 P21 W27 F50 V52 L64 M103 P104 F109 Y110 K111 L120 | F19-L107 HydrophobicContact CE2-CB 4.01Å; F19-L107 HydrophobicContact CE2-CD1 4.39Å; F19-L107 HydrophobicContact CZ-CB 4.15Å; P21-L107 HydrophobicContact CB-CB 4.09Å; P21-L107 HydrophobicContact CB-CD1 4.5Å; W27-L107 HydrophobicContact CD2-CD1 3.66Å; W27-L107 HydrophobicContact CE3-CD1 4.16Å; W27-L107 HydrophobicContact CG-CD1 3.93Å; W27-L107 HydrophobicContact CZ2-CD1 4.07Å; F50-L107 HydrophobicContact CD2-CD2 4.35Å; F50-L107 HydrophobicContact CE2-CD1 4.41Å; F50-L107 HydrophobicContact CE2-CD2 3.74Å; F50-L107 HydrophobicContact CZ-CD2 4.34Å; V52-L107 HydrophobicContact CG2-CD2 4.44Å; L64-L107 HydrophobicContact CD1-CD2 4.38Å; M103-L107 HydrophobicContact CE-CG 4.44Å; M103-L107 WeakPolarHBondContact O-CG 3.48Å; M103-L107 PolarHBondContact O-N 2.73Å; P104-L107 PolarHBondContact O-N 3Å; L107-F109 VanDerWaalsContact C-N 3.34Å; L107-F109 PolarHBondContact O-N 3.3Å; L107-Y110 PolarHBondContact O-N 3.3Å; L107-K111 WeakPolarHBondContact O-CG 3.2Å; L107-K111 PolarHBondContact O-N 3.12Å; L107-L120 HydrophobicContact CD2-CD1 3.76Å |
| 108 | N | 91.3 | Very high | 89.3 | Confident | 58 Ų | 58 | 57 Ų | 57 | 31% | 0.31 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -66.2 | -36.1 | 178.2 | -167.8 | 69.8 | 0 | 0 | 0 | 112.4 | P104 T105 L106 K111 | P104-N108 WeakPolarHBondContact O-CB 3.42Å; P104-N108 PolarHBondContact O-N 2.77Å; T105-N108 PolarHBondContact O-N 3.16Å; L106-N108 VanDerWaalsContact C-N 3.32Å; L106-N108 PolarHBondContact O-N 3.5Å; N108-K111 WeakPolarHBondContact O-CB 3.36Å; N108-K111 PolarHBondContact O-N 3.05Å |
| 109 | F | 91.1 | Very high | 89.2 | Confident | 58 Ų | 58 | 53.8 Ų | 53.8 | 25% | 0.254 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -60.6 | -49.1 | 174.3 | 179.3 | -93.2 | 0 | 0 | 0 | 111.2 | F100 T105 L106 L107 K111 L112 H113 | F100-F109 HydrophobicContact CD1-CB 4.47Å; F100-F109 HydrophobicContact CE1-CB 3.54Å; F100-F109 AromaticContact CE1-CD1 3.93Å; F100-F109 HydrophobicContact CE1-CD1 3.93Å; F100-F109 HydrophobicContact CE1-CD2 4.05Å; F100-F109 AromaticContact CE1-CG 3.57Å; F100-F109 HydrophobicContact CE1-CG 3.57Å; F100-F109 HydrophobicContact CZ-CB 3.98Å; F100-F109 AromaticContact CZ-CD1 3.59Å; F100-F109 HydrophobicContact CZ-CD1 3.59Å; F100-F109 HydrophobicContact CZ-CD2 4.46Å; F100-F109 HydrophobicContact CZ-CE1 4.16Å; F100-F109 AromaticContact CZ-CG 3.76Å; F100-F109 HydrophobicContact CZ-CG 3.76Å; T105-F109 WeakPolarHBondContact O-CB 3.37Å; T105-F109 PolarHBondContact O-N 2.86Å; L106-F109 WeakPolarHBondContact O-CB 3.41Å; L106-F109 PolarHBondContact O-N 3.4Å; L107-F109 VanDerWaalsContact C-N 3.34Å; L107-F109 PolarHBondContact O-N 3.3Å; F109-K111 PolarHBondContact O-N 2.78Å; F109-L112 PolarHBondContact O-N 2.81Å; F109-H113 HydrophobicContact CD1-CB 3.92Å; F109-H113 AromaticContact CD1-CG 3.93Å; F109-H113 AromaticContact CD1-ND1 3.85Å; F109-H113 AromaticContact CD2-CE1 3.66Å; F109-H113 AromaticContact CD2-ND1 3.59Å; F109-H113 HydrophobicContact CE1-CB 3.55Å; F109-H113 AromaticContact CE1-CD2 3.95Å; F109-H113 AromaticContact CE1-CG 3.47Å; F109-H113 VanDerWaalsContact CE1-CG 3.47Å; F109-H113 AromaticContact CE1-ND1 3.77Å; F109-H113 AromaticContact CE2-CD2 3.88Å; F109-H113 AromaticContact CE2-CE1 3.33Å; F109-H113 WeakPolarHBondContact CE2-CE1 3.4Å; F109-H113 AromaticContact CE2-CG 3.83Å; F109-H113 AromaticContact CE2-ND1 3.5Å; F109-H113 WeakPolarHBondContact CE2-ND1 3.33Å; F109-H113 AromaticContact CE2-NE2 3.57Å; F109-H113 AromaticContact CG-ND1 3.77Å; F109-H113 HydrophobicContact CZ-CB 4.02Å; F109-H113 AromaticContact CZ-CD2 3.46Å; F109-H113 VanDerWaalsContact CZ-CD2 3.46Å; F109-H113 WeakPolarHBondContact CZ-CD2 3.1Å; F109-H113 AromaticContact CZ-CE1 3.73Å; F109-H113 AromaticContact CZ-CG 3.41Å; F109-H113 VanDerWaalsContact CZ-CG 3.41Å; F109-H113 AromaticContact CZ-ND1 3.59Å; F109-H113 AromaticContact CZ-NE2 3.66Å; F109-H113 PolarHBondContact O-N 3.13Å; F109-H113 VanDerWaalsContact O-N 3.1Å; F109-H113 PolarHBondContact O-ND1 3.41Å |
| 110 | Y | 92.3 | Very high | 89.2 | Confident | 19 Ų | 19 | 49.8 Ų | 49.8 | 8% | 0.075 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | 1.1 | -179.9 | -69.6 | -70.9 | 0 | 0 | 0 | 114.6 | I95 F100 L106 L107 H113 L115 L120 | I95-Y110 HydrophobicContact CD1-CE2 4.22Å; I95-Y110 HydrophobicContact CG2-CE2 3.64Å; F100-Y110 AromaticContact CE2-CE2 3.88Å; F100-Y110 HydrophobicContact CE2-CE2 3.88Å; F100-Y110 AromaticContact CZ-CE2 3.93Å; F100-Y110 HydrophobicContact CZ-CE2 3.93Å; L106-Y110 HydrophobicContact CD2-CD2 3.92Å; L106-Y110 HydrophobicContact CD2-CE2 4.22Å; L106-Y110 HydrophobicContact CG-CD2 4.29Å; L106-Y110 HydrophobicContact CG-CE2 4.25Å; L106-Y110 VanDerWaalsContact O-CD2 3.29Å; L106-Y110 WeakPolarHBondContact O-CD2 3.19Å; L106-Y110 PolarHBondContact O-N 2.6Å; L107-Y110 PolarHBondContact O-N 3.3Å; Y110-H113 WeakPolarHBondContact CA-O 3.48Å; Y110-H113 HydrophobicContact CD1-CB 4.25Å; Y110-H113 VanDerWaalsContact O-O 3.13Å; Y110-L115 HydrophobicContact CD1-CD1 4.46Å; Y110-L115 HydrophobicContact CD1-CD2 3.53Å; Y110-L115 HydrophobicContact CD1-CG 3.53Å; Y110-L115 HydrophobicContact CD2-CD2 4.26Å; Y110-L115 HydrophobicContact CE1-CD2 3.35Å; Y110-L115 HydrophobicContact CE1-CG 3.84Å; Y110-L115 HydrophobicContact CE2-CD2 4.13Å; Y110-L115 HydrophobicContact CG-CD2 3.98Å; Y110-L115 HydrophobicContact CG-CG 4.03Å; Y110-L120 PolarHBondContact O-N 3.46Å |
| 111 | K | 89.6 | Confident | 88.9 | Confident | 36 Ų | 36 | 50.5 Ų | 50.5 | 16% | 0.157 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -29.8 | 164.1 | -71.3 | -177.1 | 174.4 | -169 | 0 | 112.8 | A17 F19 L107 N108 F109 | A17-K111 HydrophobicContact CB-CB 3.95Å; A17-K111 HydrophobicContact CB-CD 3.96Å; A17-K111 HydrophobicContact CB-CG 3.75Å; A17-K111 PolarHBondContact O-NZ 3.49Å; F19-K111 HydrophobicContact CE1-CD 4.05Å; F19-K111 HydrophobicContact CE1-CG 3.62Å; F19-K111 HydrophobicContact CZ-CD 4.14Å; F19-K111 HydrophobicContact CZ-CG 3.74Å; F19-K111 PolarHBondContact O-NZ 2.79Å; L107-K111 WeakPolarHBondContact O-CG 3.2Å; L107-K111 PolarHBondContact O-N 3.12Å; N108-K111 WeakPolarHBondContact O-CB 3.36Å; N108-K111 PolarHBondContact O-N 3.05Å; F109-K111 PolarHBondContact O-N 2.78Å |
| 112 | L | 84.2 | Confident | 88.9 | Confident | 140 Ų | 140 | 49.8 Ų | 49.8 | 73% | 0.733 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -114.6 | -21.6 | -177.2 | -62.4 | 175.7 | 0 | 0 | 0 | 112.4 | F109 | F109-L112 PolarHBondContact O-N 2.81Š|
| 113 | H | 86.5 | Confident | 88.9 | Confident | 88 Ų | 88 | 48.2 Ų | 48.2 | 41% | 0.407 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -102.2 | 135.4 | 179.4 | -61 | 81.4 | 0 | 0 | 0 | 110.3 | F109 Y110 | F109-H113 HydrophobicContact CD1-CB 3.92Å; F109-H113 AromaticContact CD1-CG 3.93Å; F109-H113 AromaticContact CD1-ND1 3.85Å; F109-H113 AromaticContact CD2-CE1 3.66Å; F109-H113 AromaticContact CD2-ND1 3.59Å; F109-H113 HydrophobicContact CE1-CB 3.55Å; F109-H113 AromaticContact CE1-CD2 3.95Å; F109-H113 AromaticContact CE1-CG 3.47Å; F109-H113 VanDerWaalsContact CE1-CG 3.47Å; F109-H113 AromaticContact CE1-ND1 3.77Å; F109-H113 AromaticContact CE2-CD2 3.88Å; F109-H113 AromaticContact CE2-CE1 3.33Å; F109-H113 WeakPolarHBondContact CE2-CE1 3.4Å; F109-H113 AromaticContact CE2-CG 3.83Å; F109-H113 AromaticContact CE2-ND1 3.5Å; F109-H113 WeakPolarHBondContact CE2-ND1 3.33Å; F109-H113 AromaticContact CE2-NE2 3.57Å; F109-H113 AromaticContact CG-ND1 3.77Å; F109-H113 HydrophobicContact CZ-CB 4.02Å; F109-H113 AromaticContact CZ-CD2 3.46Å; F109-H113 VanDerWaalsContact CZ-CD2 3.46Å; F109-H113 WeakPolarHBondContact CZ-CD2 3.1Å; F109-H113 AromaticContact CZ-CE1 3.73Å; F109-H113 AromaticContact CZ-CG 3.41Å; F109-H113 VanDerWaalsContact CZ-CG 3.41Å; F109-H113 AromaticContact CZ-ND1 3.59Å; F109-H113 AromaticContact CZ-NE2 3.66Å; F109-H113 PolarHBondContact O-N 3.13Å; F109-H113 VanDerWaalsContact O-N 3.1Å; F109-H113 PolarHBondContact O-ND1 3.41Å; Y110-H113 WeakPolarHBondContact CA-O 3.48Å; Y110-H113 HydrophobicContact CD1-CB 4.25Å; Y110-H113 VanDerWaalsContact O-O 3.13Å |
| 114 | Y | 85.2 | Confident | 88.7 | Confident | 156 Ų | 156 | 48 Ų | 48 | 61% | 0.612 | 24% | 0.239 | S | C | * | . | trans | -74.9 | 134.9 | 179.1 | -76.6 | -126.9 | 0 | 0 | 0 | 109 | T117 P119 | Y114-T117 VanDerWaalsContact CD1-O 3.26Å; Y114-T117 WeakPolarHBondContact CD1-O 3.48Å; Y114-T117 WeakPolarHBondContact CE1-O 3.35Å; Y114-P119 HydrophobicContact CD2-CB 4.45Å; Y114-P119 HydrophobicContact CE2-CB 4.46Å; Y114-P119 HydrophobicContact CE2-CG 4.14Å | ||
| 115 | L | 83.5 | Confident | 88.1 | Confident | 31 Ų | 31 | 52.2 Ų | 52.2 | 16% | 0.162 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -75.3 | -54.1 | 170.7 | -81 | 159.4 | 0 | 0 | 0 | 109.9 | L64 V66 Y78 I95 Y110 S118 L120 | L64-L115 HydrophobicContact CD2-CD1 3.77Å; L64-L115 HydrophobicContact CD2-CD2 4.45Å; V66-L115 HydrophobicContact CG2-CD1 3.7Å; Y78-L115 HydrophobicContact CD1-CD2 4.35Å; Y78-L115 HydrophobicContact CD2-CD1 4.05Å; Y78-L115 HydrophobicContact CD2-CD2 4.17Å; Y78-L115 HydrophobicContact CE1-CB 4.27Å; Y78-L115 HydrophobicContact CE1-CD2 4.43Å; Y78-L115 HydrophobicContact CE2-CB 3.86Å; Y78-L115 HydrophobicContact CE2-CD1 3.83Å; Y78-L115 HydrophobicContact CE2-CD2 4.25Å; Y78-L115 HydrophobicContact CE2-CG 4.2Å; Y78-L115 HydrophobicContact CG-CD2 4.23Å; I95-L115 HydrophobicContact CD1-CD2 3.91Å; Y110-L115 HydrophobicContact CD1-CD1 4.46Å; Y110-L115 HydrophobicContact CD1-CD2 3.53Å; Y110-L115 HydrophobicContact CD1-CG 3.53Å; Y110-L115 HydrophobicContact CD2-CD2 4.26Å; Y110-L115 HydrophobicContact CE1-CD2 3.35Å; Y110-L115 HydrophobicContact CE1-CG 3.84Å; Y110-L115 HydrophobicContact CE2-CD2 4.13Å; Y110-L115 HydrophobicContact CG-CD2 3.98Å; Y110-L115 HydrophobicContact CG-CG 4.03Å; L115-S118 PolarHBondContact N-O 2.75Å; L115-L120 HydrophobicContact CD1-CD2 3.83Å; L115-L120 HydrophobicContact CD1-CG 4.37Å |
| 116 | E | 79.9 | Confident | 87.1 | Confident | 120 Ų | 120 | 51.3 Ų | 51.3 | 56% | 0.561 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -140.9 | -57 | 171.2 | -165 | 170.8 | 150.6 | 0 | 0 | 111.1 | K71 Y78 | K71-E116 WeakPolarHBondContact CE-OE1 3.14Å; K71-E116 IonicContact NZ-OE1 3.67Å; K71-E116 PolarHBondContact NZ-OE1 2.79Å; K71-E116 IonicContact NZ-OE2 3.77Å; K71-E116 PolarHBondContact NZ-OE2 3.07Å; Y78-E116 VanDerWaalsContact OH-CB 3.29Å; Y78-E116 WeakPolarHBondContact OH-CB 3.18Å; Y78-E116 PolarHBondContact OH-OE2 2.88Å |
| 117 | T | 82.9 | Confident | 85.8 | Confident | 65 Ų | 65 | 58.4 Ų | 58.4 | 40% | 0.399 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -123.1 | -17.6 | 179.9 | 59.8 | 0 | 0 | 0 | 0 | 113.4 | E68 Y114 | E68-T117 WeakPolarHBondContact CB-OG1 3.34Å; E68-T117 PolarHBondContact OE1-N 2.8Å; E68-T117 PolarHBondContact OE1-OG1 2.94Å; Y114-T117 VanDerWaalsContact CD1-O 3.26Å; Y114-T117 WeakPolarHBondContact CD1-O 3.48Å; Y114-T117 WeakPolarHBondContact CE1-O 3.35Å |
| 118 | S | 85.4 | Confident | 84.8 | Confident | 7 Ų | 7 | 60.3 Ų | 60.3 | 5% | 0.049 | 29% | 0.292 | C | S | . | . | trans | -137 | 151.4 | 179 | 71.7 | 0 | 0 | 0 | 0 | 113.2 | E68 L115 | E68-S118 VanDerWaalsContact CG-OG 3.32Å; E68-S118 WeakPolarHBondContact CG-OG 3.37Å; E68-S118 PolarHBondContact OE1-N 3.13Å; E68-S118 PolarHBondContact OE1-OG 2.99Å; L115-S118 PolarHBondContact N-O 2.75Å | ||
| 119 | P | 90.3 | Very high | 84.2 | Confident | 28 Ų | 28 | 61 Ų | 61 | 18% | 0.182 | 30% | 0.295 | C | S | . | . | trans | -78.9 | 163.8 | 163.3 | 33.9 | -32.9 | 0 | 0 | 0 | 110.9 | G48 Y114 V121 | G48-P119 WeakPolarHBondContact CA-O 3.48Å; Y114-P119 HydrophobicContact CD2-CB 4.45Å; Y114-P119 HydrophobicContact CE2-CB 4.46Å; Y114-P119 HydrophobicContact CE2-CG 4.14Å; P119-V121 PolarHBondContact O-N 3.15Å | ||
| 120 | L | 91.9 | Very high | 84 | Confident | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 31% | 0.305 | C | S | . | . | trans | -72.1 | 120.5 | 172.4 | -60.3 | -175.2 | 0 | 0 | 0 | 110.4 | A17 F19 F50 L64 V66 L107 Y110 L115 | A17-L120 WeakPolarHBondContact CB-O 3.37Å; F19-L120 HydrophobicContact CE1-CB 4.08Å; F19-L120 HydrophobicContact CZ-CB 4.31Å; F50-L120 HydrophobicContact CB-CD2 3.73Å; F50-L120 HydrophobicContact CD1-CB 3.92Å; F50-L120 HydrophobicContact CD1-CD1 4.36Å; F50-L120 HydrophobicContact CD1-CD2 3.81Å; F50-L120 HydrophobicContact CD1-CG 4.24Å; F50-L120 HydrophobicContact CD2-CD1 4.46Å; F50-L120 HydrophobicContact CD2-CD2 4.45Å; F50-L120 HydrophobicContact CE1-CB 4.02Å; F50-L120 HydrophobicContact CE1-CD1 4.41Å; F50-L120 HydrophobicContact CE2-CD1 4.49Å; F50-L120 HydrophobicContact CG-CD1 4.41Å; F50-L120 HydrophobicContact CG-CD2 3.74Å; F50-L120 HydrophobicContact CG-CG 4.48Å; F50-L120 HydrophobicContact CZ-CD1 4.49Å; L64-L120 HydrophobicContact CD1-CD2 4.46Å; L64-L120 HydrophobicContact CD2-CD1 4.36Å; L64-L120 HydrophobicContact CD2-CD2 4.45Å; V66-L120 HydrophobicContact CG1-CD2 4.14Å; V66-L120 HydrophobicContact CG2-CD2 3.77Å; L107-L120 HydrophobicContact CD2-CD1 3.76Å; Y110-L120 PolarHBondContact O-N 3.46Å; L115-L120 HydrophobicContact CD1-CD2 3.83Å; L115-L120 HydrophobicContact CD1-CG 4.37Å | ||
| 121 | V | 89 | Confident | 83.9 | Confident | 34 Ų | 34 | 63.3 Ų | 63.3 | 21% | 0.206 | 30% | 0.302 | C | S | . | . | trans | -101.6 | -51 | -177.7 | 176.7 | 0 | 0 | 0 | 0 | 111.3 | A17 F19 G48 P119 | A17-V121 CarbonylContact C-O 3.52Å; A17-V121 WeakPolarHBondContact CA-O 3.38Å; A17-V121 WeakPolarHBondContact CB-O 3.49Å; F19-V121 WeakPolarHBondContact CD1-O 3.09Å; G48-V121 PolarHBondContact O-N 2.72Å; P119-V121 PolarHBondContact O-N 3.15Å | ||
| 122 | R | 89.9 | Confident | 84.1 | Confident | 59 Ų | 59 | 66.3 Ų | 66.3 | 22% | 0.223 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.2 | 154.9 | -179 | 63.1 | 172.7 | 176.1 | 87.3 | -4.5 | 112 | E44 D46 G48 V49 F50 | E44-R122 VanDerWaalsContact CD-NH1 3.34Å; E44-R122 IonicContact OE1-CZ 2.67Å; E44-R122 IonicContact OE1-NH1 2.83Å; E44-R122 PolarHBondContact OE1-NH1 2.83Å; E44-R122 IonicContact OE1-NH2 3.3Å; E44-R122 IonicContact OE2-CZ 3.92Å; E44-R122 IonicContact OE2-NH1 3.15Å; E44-R122 PolarHBondContact OE2-NH1 2.93Å; E44-R122 IonicContact OE2-NH2 2.65Å; E44-R122 PolarHBondContact OE2-NH2 3.44Å; D46-R122 IonicContact OD2-CZ 3.55Å; D46-R122 IonicContact OD2-NE 3.41Å; D46-R122 IonicContact OD2-NH2 2.79Å; D46-R122 PolarHBondContact OD2-NH2 3.2Å; G48-R122 PolarHBondContact O-N 3.06Å; V49-R122 VanDerWaalsContact CA-O 3.32Å; V49-R122 WeakPolarHBondContact CA-O 3.44Å; V49-R122 HydrophobicContact CG2-CG 4.04Å; V49-R122 VanDerWaalsContact CG2-CZ 3.48Å; F50-R122 VanDerWaalsContact CD1-C 3.48Å; F50-R122 WeakPolarHBondContact CD1-O 3.2Å; F50-R122 WeakPolarHBondContact CE1-O 3.26Å; F50-R122 PolarHBondContact N-O 2.8Å |
| 123 | P | 91 | Very high | 84.5 | Confident | 23 Ų | 23 | 59.7 Ų | 59.7 | 15% | 0.149 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 151.7 | 168.5 | 26.5 | -32.8 | 0 | 0 | 0 | 111.5 | F19 S26 W27 F50 | F19-P123 HydrophobicContact CB-CG 4.19Å; S26-P123 WeakPolarHBondContact O-CB 3.32Å; W27-P123 HydrophobicContact CB-CB 3.96Å; F50-P123 HydrophobicContact CZ-CB 4.37Å; F50-P123 CarbonylContact O-C 3.58Å; F50-P123 WeakPolarHBondContact O-CA 3.47Å |
| 124 | A | 88.3 | Confident | 84.7 | Confident | 3 Ų | 3 | 59.1 Ų | 59.1 | 3% | 0.025 | 28% | 0.275 | C | S | . | . | P | Polyproline II helix | trans | -65.3 | 144.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | F29 I40 L41 V49 F50 L51 R126 | F29-A124 HydrophobicContact CZ-CB 4.2Å; F29-A124 WeakPolarHBondContact CZ-O 3.46Å; I40-A124 HydrophobicContact CG2-CB 3.98Å; L41-A124 HydrophobicContact CD2-CB 3.85Å; V49-A124 HydrophobicContact CG1-CB 3.84Å; F50-A124 PolarHBondContact O-N 2.64Å; L51-A124 HydrophobicContact CB-CB 4.29Å; L51-A124 HydrophobicContact CD2-CB 4.23Å; A124-R126 PolarHBondContact O-N 3.34Å |
| 125 | I | 78 | Confident | 84.8 | Confident | 110 Ų | 110 | 57 Ų | 57 | 56% | 0.564 | 27% | 0.269 | S | S | * | . | P | Polyproline II helix | trans | -73 | 120.1 | 177.2 | -60.5 | 173.1 | 0 | 0 | 0 | 108.3 | E44 E127 | E44-I125 PolarHBondContact OE1-N 3.28Å; I125-E127 PolarHBondContact O-N 2.85Å |
| 126 | R | 72.6 | Confident | 85.2 | Confident | 42 Ų | 42 | 60 Ų | 60 | 16% | 0.158 | 28% | 0.282 | C | S | . | . | P | Polyproline II helix | trans | -73.6 | 118.2 | 168.6 | -164.1 | 173.3 | -168 | 139.1 | 9.6 | 107.9 | Y28 F29 A124 L128 I156 | Y28-R126 PolarHBondContact O-NH1 3.24Å; F29-R126 HydrophobicContact CD1-CG 4.32Å; F29-R126 HydrophobicContact CE1-CB 3.81Å; F29-R126 HydrophobicContact CE1-CG 3.78Å; F29-R126 HydrophobicContact CZ-CB 3.75Å; F29-R126 HydrophobicContact CZ-CG 4.22Å; F29-R126 PolarHBondContact O-NH1 3.18Å; F29-R126 PolarHBondContact O-NH2 2.87Å; F29-R126 VanDerWaalsContact O-NH2 3.15Å; A124-R126 PolarHBondContact O-N 3.34Å; R126-L128 HydrophobicContact CB-CD1 4.26Å; R126-L128 HydrophobicContact CB-CG 4.3Å; R126-L128 HydrophobicContact CG-CG 4.26Å; R126-L128 WeakPolarHBondContact O-CD1 3.42Å; R126-L128 PolarHBondContact O-N 3.42Å; R126-I156 PolarHBondContact NE-O 3.22Å; R126-I156 PolarHBondContact NH2-O 3.13Å |
| 127 | E | 66.5 | Low | 85.7 | Confident | 150 Ų | 150 | 55 Ų | 55 | 70% | 0.701 | 26% | 0.258 | S | S | * | . | trans | -67.2 | 86.4 | 168.7 | -71 | -169 | 146.9 | 0 | 0 | 108.9 | I125 I129 | I125-E127 PolarHBondContact O-N 2.85Å; E127-I129 PolarHBondContact O-N 2.99Å | ||
| 128 | L | 70.8 | Confident | 86.1 | Confident | 39 Ų | 39 | 57 Ų | 57 | 20% | 0.204 | 27% | 0.271 | C | S | . | . | trans | -77.8 | 124.1 | 176.1 | -61.2 | 117.5 | 0 | 0 | 0 | 109.2 | R126 R130 W154 V155 I156 R167 | R126-L128 HydrophobicContact CB-CD1 4.26Å; R126-L128 HydrophobicContact CB-CG 4.3Å; R126-L128 HydrophobicContact CG-CG 4.26Å; R126-L128 WeakPolarHBondContact O-CD1 3.42Å; R126-L128 PolarHBondContact O-N 3.42Å; L128-R130 PolarHBondContact O-N 3.45Å; L128-W154 HydrophobicContact CB-CB 3.84Å; L128-W154 HydrophobicContact CB-CG 4.3Å; L128-W154 HydrophobicContact CD2-CB 3.91Å; L128-W154 HydrophobicContact CG-CB 4.43Å; L128-V155 WeakPolarHBondContact CA-O 3.32Å; L128-I156 HydrophobicContact CD2-CB 4.4Å; L128-I156 HydrophobicContact CD2-CG1 3.65Å; L128-R167 VanDerWaalsContact CD1-NH2 3.32Å; L128-R167 HydrophobicContact CD2-CG 4.29Å | ||
| 129 | I | 80.2 | Confident | 86.1 | Confident | 72 Ų | 72 | 57.6 Ų | 57.6 | 37% | 0.369 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 115.5 | 176 | -61.4 | 168.4 | 0 | 0 | 0 | 107.7 | E127 V131 V155 A183 | E127-I129 PolarHBondContact O-N 2.99Å; I129-V131 HydrophobicContact CG2-CG1 4.06Å; I129-V131 PolarHBondContact O-N 3.29Å; I129-V155 HydrophobicContact CB-CB 4.33Å; I129-V155 PolarHBondContact N-O 2.97Å; I129-V155 PolarHBondContact O-N 3.49Å; I129-A183 HydrophobicContact CG2-CB 4.33Å |
| 130 | R | 86.6 | Confident | 85.6 | Confident | 124 Ų | 124 | 64.3 Ų | 64.3 | 47% | 0.468 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 121.3 | 173 | -165.7 | 179.8 | 78 | -176.4 | 2.9 | 109.5 | L128 L153 | L128-R130 PolarHBondContact O-N 3.45Å; R130-L153 CarbonylContact C-O 3.56Å; R130-L153 WeakPolarHBondContact CA-O 3.25Å |
| 131 | V | 90 | Very high | 85.2 | Confident | 2 Ų | 2 | 71 Ų | 71 | 1% | 0.012 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 156.6 | 175.3 | -58.3 | 0 | 0 | 0 | 0 | 109.9 | I129 A152 L153 V155 W164 I176 V181 E182 A183 | I129-V131 HydrophobicContact CG2-CG1 4.06Å; I129-V131 PolarHBondContact O-N 3.29Å; V131-A152 WeakPolarHBondContact O-CA 3.19Å; V131-L153 HydrophobicContact CG2-CB 3.84Å; V131-L153 PolarHBondContact N-O 3.14Å; V131-L153 PolarHBondContact O-N 3.15Å; V131-V155 HydrophobicContact CB-CG2 4.32Å; V131-V155 HydrophobicContact CG1-CG2 3.57Å; V131-V155 HydrophobicContact CG2-CG2 3.75Å; V131-W164 HydrophobicContact CG1-CZ3 4.38Å; V131-I176 HydrophobicContact CG2-CD1 4.36Å; V131-V181 HydrophobicContact CB-CB 3.92Å; V131-V181 HydrophobicContact CB-CG2 4.15Å; V131-V181 HydrophobicContact CG1-CG2 4.42Å; V131-V181 HydrophobicContact CG2-CB 3.77Å; V131-V181 HydrophobicContact CG2-CG1 3.91Å; V131-V181 HydrophobicContact CG2-CG2 3.98Å; V131-E182 CarbonylContact C-O 3.59Å; V131-E182 VanDerWaalsContact CA-O 3.25Å; V131-E182 WeakPolarHBondContact CA-O 3.11Å; V131-E182 WeakPolarHBondContact CB-O 3.42Å; V131-A183 HydrophobicContact CG1-CB 4.4Å |
| 132 | R | 92.5 | Very high | 84.8 | Confident | 99 Ų | 99 | 78.7 Ų | 78.7 | 37% | 0.374 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 134.2 | 175 | -174.8 | -176 | -178.4 | -149 | 4.4 | 109.3 | K134 E151 V181 E182 | R132-K134 PolarHBondContact O-N 3.49Å; R132-E151 CarbonylContact C-O 3.51Å; R132-E151 WeakPolarHBondContact CA-O 3.07Å; R132-V181 CarbonylContact O-C 3.59Å; R132-V181 VanDerWaalsContact O-CA 3.26Å; R132-V181 WeakPolarHBondContact O-CA 3.38Å; R132-E182 HydrophobicContact CB-CG 3.97Å; R132-E182 PolarHBondContact N-O 2.85Å; R132-E182 IonicContact NH1-OE1 2.99Å; R132-E182 PolarHBondContact O-N 3.5Å |
| 133 | A | 92.8 | Very high | 84.6 | Confident | 2 Ų | 2 | 80.9 Ų | 80.9 | 2% | 0.017 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 118.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111 | F147 K148 G150 E151 | A133-F147 HydrophobicContact CB-CD2 3.37Å; A133-F147 HydrophobicContact CB-CE2 3.69Å; A133-F147 HydrophobicContact CB-CG 4.32Å; A133-K148 WeakPolarHBondContact CB-O 3.49Å; A133-G150 WeakPolarHBondContact O-CA 3.32Å; A133-G150 PolarHBondContact O-N 3.41Å; A133-E151 HydrophobicContact CB-CB 4.32Å; A133-E151 PolarHBondContact N-O 3.07Å |
| 134 | K | 90.6 | Very high | 84.5 | Confident | 76 Ų | 76 | 80.6 Ų | 80.6 | 33% | 0.33 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -77.1 | -33.8 | 171.7 | -66.3 | -177.7 | -64.4 | -170.8 | 0 | 111.6 | R132 R149 N179 Y180 V181 E182 | R132-K134 PolarHBondContact O-N 3.49Å; K134-R149 WeakPolarHBondContact O-CG 3.49Å; K134-R149 PolarHBondContact O-NE 2.77Å; K134-N179 WeakPolarHBondContact CE-O 3.5Å; K134-N179 PolarHBondContact NZ-O 2.83Å; K134-Y180 WeakPolarHBondContact CB-O 3.49Å; K134-Y180 PolarHBondContact N-O 2.81Å; K134-V181 VanDerWaalsContact CE-O 3.28Å; K134-V181 WeakPolarHBondContact CE-O 3.45Å; K134-V181 PolarHBondContact NZ-O 3.15Å; K134-E182 HydrophobicContact CD-CB 4.08Å; K134-E182 HydrophobicContact CD-CG 4.49Å; K134-E182 HydrophobicContact CG-CB 4.04Å; K134-E182 HydrophobicContact CG-CG 3.95Å |
| 135 | F | 88.6 | Confident | 84.5 | Confident | 112 Ų | 112 | 80.6 Ų | 80.6 | 49% | 0.491 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -127.3 | 172.3 | -180 | -54 | -66.4 | 0 | 0 | 0 | 110.3 | F147 Y180 | F135-F147 WeakPolarHBondContact O-CD2 3.19Å; F135-F147 VanDerWaalsContact O-CE2 3.26Å; F135-F147 WeakPolarHBondContact O-CE2 3.34Å; F135-Y180 HydrophobicContact CB-CD1 3.67Å; F135-Y180 HydrophobicContact CB-CE1 3.94Å; F135-Y180 HydrophobicContact CB-CG 4.33Å; F135-Y180 HydrophobicContact CD2-CD1 4.28Å; F135-Y180 HydrophobicContact CD2-CD2 4.4Å; F135-Y180 HydrophobicContact CD2-CG 4.15Å; F135-Y180 HydrophobicContact CG-CD1 4.45Å |
| 136 | E | 91.7 | Very high | 85.2 | Confident | 94 Ų | 94 | 78.4 Ų | 78.4 | 44% | 0.439 | 38% | 0.378 | S | S | . | . | trans | -88.9 | 145.1 | 168.3 | 174.7 | 168.7 | 172.4 | 0 | 0 | 109.6 | F147 K148 | E136-F147 WeakPolarHBondContact CA-O 3.47Å; E136-F147 WeakPolarHBondContact CG-O 3.32Å; E136-K148 VanDerWaalsContact CD-CD 3.46Å; E136-K148 HydrophobicContact CG-CD 4Å; E136-K148 WeakPolarHBondContact OE1-CD 2.8Å; E136-K148 IonicContact OE1-NZ 3.63Å; E136-K148 PolarHBondContact OE1-NZ 3.4Å; E136-K148 IonicContact OE2-NZ 2.59Å | ||
| 137 | F | 90.7 | Very high | 86.2 | Confident | 14 Ų | 14 | 76.6 Ų | 76.6 | 6% | 0.061 | 37% | 0.371 | C | S | . | . | B | Isolated β-bridge | trans | -134.8 | 125.4 | 175.6 | 179.3 | -122.8 | 0 | 0 | 0 | 108.9 | D144 L145 P146 F147 W163 P177 Y180 | F137-D144 HydrophobicContact CE1-CB 3.88Å; F137-D144 HydrophobicContact CZ-CB 4.17Å; F137-D144 WeakPolarHBondContact CZ-OD2 3.48Å; F137-L145 WeakPolarHBondContact CD1-O 3.17Å; F137-P146 CarbonylContact O-C 3.58Å; F137-P146 WeakPolarHBondContact O-CA 3.32Å; F137-F147 HydrophobicContact CB-CD1 3.97Å; F137-F147 HydrophobicContact CB-CD2 4.07Å; F137-F147 HydrophobicContact CB-CE1 3.49Å; F137-F147 VanDerWaalsContact CB-CE1 3.49Å; F137-F147 HydrophobicContact CB-CE2 3.64Å; F137-F147 HydrophobicContact CB-CG 4.24Å; F137-F147 HydrophobicContact CB-CZ 3.32Å; F137-F147 HydrophobicContact CD1-CD1 4.11Å; F137-F147 AromaticContact CD1-CE1 3.6Å; F137-F147 HydrophobicContact CD1-CE1 3.6Å; F137-F147 HydrophobicContact CD1-CZ 4.21Å; F137-F147 AromaticContact CG-CE1 3.92Å; F137-F147 HydrophobicContact CG-CE1 3.92Å; F137-F147 HydrophobicContact CG-CZ 4.07Å; F137-F147 PolarHBondContact N-O 3.08Å; F137-F147 PolarHBondContact O-N 3.44Å; F137-W163 HydrophobicContact CE1-CZ3 4.16Å; F137-W163 HydrophobicContact CE2-CH2 4.21Å; F137-W163 HydrophobicContact CE2-CZ3 4.43Å; F137-W163 AromaticContact CZ-CH2 3.81Å; F137-W163 HydrophobicContact CZ-CH2 3.81Å; F137-W163 AromaticContact CZ-CZ3 3.65Å; F137-W163 HydrophobicContact CZ-CZ3 3.65Å; F137-P177 HydrophobicContact CD1-CG 4.49Å; F137-P177 HydrophobicContact CD2-CG 4.19Å; F137-P177 HydrophobicContact CE2-CG 4.31Å; F137-P177 HydrophobicContact CG-CG 4.29Å; F137-Y180 HydrophobicContact CB-CD1 4.14Å |
| 138 | T | 89.9 | Confident | 87.5 | Confident | 108 Ų | 108 | 75.3 Ų | 75.3 | 66% | 0.663 | 36% | 0.363 | S | S | * | . | trans | -93.4 | -4.8 | -175.8 | 53.5 | 0 | 0 | 0 | 0 | 113.6 | P146 | T138-P146 WeakPolarHBondContact O-CG 3.48Š| ||
| 139 | G | 86.2 | Confident | 88.4 | Confident | 19 Ų | 19 | 82.9 Ų | 82.9 | 20% | 0.196 | 39% | 0.389 | C | S | . | . | trans | 76 | 148.6 | -165.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 140 | Q | 80.3 | Confident | 89 | Confident | 168 Ų | 168 | 80.9 Ų | 80.9 | 79% | 0.785 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -122.7 | -35.6 | 170.7 | -64.1 | -176 | 2.8 | 0 | 0 | 110.6 | D144 | Q140-D144 PolarHBondContact N-OD2 2.97Š|
| 141 | E | 82.7 | Confident | 89.3 | Confident | 142 Ų | 142 | 77.3 Ų | 77.3 | 66% | 0.664 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -106 | 163.5 | 178.7 | -59 | -172.1 | 177.7 | 0 | 0 | 111.7 | D143 D144 | E141-D143 VanDerWaalsContact C-N 3.28Å; E141-D143 PolarHBondContact O-N 2.76Å; E141-D144 PolarHBondContact N-OD2 3.2Å; E141-D144 WeakPolarHBondContact O-CB 3.37Å; E141-D144 PolarHBondContact O-N 3.26Å |
| 142 | E | 80.4 | Confident | 89.3 | Confident | 194 Ų | 194 | 79.1 Ų | 79.1 | 91% | 0.907 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -31.9 | -179.6 | -173.2 | 175.5 | 177.4 | 0 | 0 | 112.5 | D144 | E142-D144 VanDerWaalsContact C-N 3.3Å; E142-D144 PolarHBondContact O-N 2.94Å |
| 143 | D | 85.4 | Confident | 89.2 | Confident | 106 Ų | 106 | 74.4 Ų | 74.4 | 57% | 0.567 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | 3 | -179.7 | -67.9 | -30.7 | 0 | 0 | 0 | 113.2 | E141 G174 Y175 | E141-D143 VanDerWaalsContact C-N 3.28Å; E141-D143 PolarHBondContact O-N 2.76Å; D143-G174 CarbonylContact O-C 3.53Å; D143-G174 WeakPolarHBondContact O-CA 3.24Å; D143-Y175 HydrophobicContact CB-CD2 4.02Å; D143-Y175 HydrophobicContact CB-CE2 4.31Å; D143-Y175 PolarHBondContact O-N 3.3Å |
| 144 | D | 89.1 | Confident | 89 | Confident | 16 Ų | 16 | 77.9 Ų | 77.9 | 9% | 0.086 | 39% | 0.385 | C | S | . | . | B | Isolated β-bridge | trans | -75.2 | 150.6 | 176.8 | -77.7 | -25.2 | 0 | 0 | 0 | 111.8 | F137 Q140 E141 E142 P146 W163 | F137-D144 HydrophobicContact CE1-CB 3.88Å; F137-D144 HydrophobicContact CZ-CB 4.17Å; F137-D144 WeakPolarHBondContact CZ-OD2 3.48Å; Q140-D144 PolarHBondContact N-OD2 2.97Å; E141-D144 PolarHBondContact N-OD2 3.2Å; E141-D144 WeakPolarHBondContact O-CB 3.37Å; E141-D144 PolarHBondContact O-N 3.26Å; E142-D144 VanDerWaalsContact C-N 3.3Å; E142-D144 PolarHBondContact O-N 2.94Å; D144-P146 WeakPolarHBondContact O-CD 3.37Å; D144-W163 WeakPolarHBondContact OD1-CZ3 3.29Å |
| 145 | L | 90.2 | Very high | 88.8 | Confident | 3 Ų | 3 | 74.5 Ų | 74.5 | 2% | 0.016 | 37% | 0.371 | C | S | . | . | trans | -105.8 | 103.8 | 171.5 | -177.4 | 65.4 | 0 | 0 | 0 | 109.9 | F137 F147 L153 A166 N168 Q172 Y175 I176 | F137-L145 WeakPolarHBondContact CD1-O 3.17Å; L145-F147 VanDerWaalsContact O-CD1 3.23Å; L145-F147 WeakPolarHBondContact O-CD1 3.29Å; L145-L153 HydrophobicContact CD2-CD2 4.32Å; L145-A166 HydrophobicContact CD2-CB 4.21Å; L145-N168 HydrophobicContact CD1-CB 4.41Å; L145-N168 HydrophobicContact CD2-CB 4.3Å; L145-Q172 HydrophobicContact CD1-CB 3.82Å; L145-Y175 PolarHBondContact N-O 3.01Å; L145-I176 HydrophobicContact CB-CG2 3.86Å; L145-I176 HydrophobicContact CD2-CG2 4.21Å; L145-I176 HydrophobicContact CG-CG2 4.39Å | ||
| 146 | P | 91.5 | Very high | 88.5 | Confident | 65 Ų | 65 | 70.8 Ų | 70.8 | 42% | 0.422 | 36% | 0.355 | S | S | . | . | trans | -64.1 | 144.5 | 172.6 | -21.1 | 33.3 | 0 | 0 | 0 | 111.7 | F137 T138 D144 | F137-P146 CarbonylContact O-C 3.58Å; F137-P146 WeakPolarHBondContact O-CA 3.32Å; T138-P146 WeakPolarHBondContact O-CG 3.48Å; D144-P146 WeakPolarHBondContact O-CD 3.37Å | ||
| 147 | F | 93.2 | Very high | 87.7 | Confident | 4 Ų | 4 | 69.3 Ų | 69.3 | 2% | 0.018 | 35% | 0.346 | C | S | . | . | B | Isolated β-bridge | trans | -152.1 | 153.7 | 177.1 | 55.4 | -99.3 | 0 | 0 | 0 | 112.2 | A133 F135 E136 F137 L145 E151 L153 I176 Y180 V181 | A133-F147 HydrophobicContact CB-CD2 3.37Å; A133-F147 HydrophobicContact CB-CE2 3.69Å; A133-F147 HydrophobicContact CB-CG 4.32Å; F135-F147 WeakPolarHBondContact O-CD2 3.19Å; F135-F147 VanDerWaalsContact O-CE2 3.26Å; F135-F147 WeakPolarHBondContact O-CE2 3.34Å; E136-F147 WeakPolarHBondContact CA-O 3.47Å; E136-F147 WeakPolarHBondContact CG-O 3.32Å; F137-F147 HydrophobicContact CB-CD1 3.97Å; F137-F147 HydrophobicContact CB-CD2 4.07Å; F137-F147 HydrophobicContact CB-CE1 3.49Å; F137-F147 VanDerWaalsContact CB-CE1 3.49Å; F137-F147 HydrophobicContact CB-CE2 3.64Å; F137-F147 HydrophobicContact CB-CG 4.24Å; F137-F147 HydrophobicContact CB-CZ 3.32Å; F137-F147 HydrophobicContact CD1-CD1 4.11Å; F137-F147 AromaticContact CD1-CE1 3.6Å; F137-F147 HydrophobicContact CD1-CE1 3.6Å; F137-F147 HydrophobicContact CD1-CZ 4.21Å; F137-F147 AromaticContact CG-CE1 3.92Å; F137-F147 HydrophobicContact CG-CE1 3.92Å; F137-F147 HydrophobicContact CG-CZ 4.07Å; F137-F147 PolarHBondContact N-O 3.08Å; F137-F147 PolarHBondContact O-N 3.44Å; L145-F147 VanDerWaalsContact O-CD1 3.23Å; L145-F147 WeakPolarHBondContact O-CD1 3.29Å; F147-E151 VanDerWaalsContact CA-OE2 3.27Å; F147-E151 WeakPolarHBondContact CA-OE2 3.42Å; F147-E151 HydrophobicContact CB-CB 4.43Å; F147-E151 WeakPolarHBondContact CB-OE2 3.47Å; F147-L153 HydrophobicContact CB-CD1 3.97Å; F147-L153 HydrophobicContact CB-CD2 4.15Å; F147-L153 HydrophobicContact CD1-CD1 3.58Å; F147-L153 HydrophobicContact CD2-CD1 4.33Å; F147-L153 HydrophobicContact CE1-CD1 4.12Å; F147-L153 HydrophobicContact CG-CD1 3.71Å; F147-I176 HydrophobicContact CD1-CB 4.43Å; F147-I176 HydrophobicContact CD1-CG2 3.74Å; F147-I176 HydrophobicContact CE1-CB 3.71Å; F147-I176 HydrophobicContact CE1-CG2 3.51Å; F147-Y180 HydrophobicContact CE2-CD1 4.38Å; F147-Y180 HydrophobicContact CZ-CD1 4.23Å; F147-Y180 HydrophobicContact CZ-CG 4.42Å; F147-V181 HydrophobicContact CZ-CG1 4.42Å |
| 148 | K | 93.4 | Very high | 87.1 | Confident | 123 Ų | 123 | 73.8 Ų | 73.8 | 54% | 0.535 | 37% | 0.365 | S | S | . | . | trans | -91.9 | 155.7 | 176.2 | -62.2 | -62.3 | -176.8 | 177 | 0 | 111.8 | A133 E136 G150 E151 | A133-K148 WeakPolarHBondContact CB-O 3.49Å; E136-K148 VanDerWaalsContact CD-CD 3.46Å; E136-K148 HydrophobicContact CG-CD 4Å; E136-K148 WeakPolarHBondContact OE1-CD 2.8Å; E136-K148 IonicContact OE1-NZ 3.63Å; E136-K148 PolarHBondContact OE1-NZ 3.4Å; E136-K148 IonicContact OE2-NZ 2.59Å; K148-G150 PolarHBondContact O-N 2.73Å; K148-E151 PolarHBondContact N-OE2 3.43Å; K148-E151 WeakPolarHBondContact O-CB 3.25Å; K148-E151 PolarHBondContact O-N 3.05Å | ||
| 149 | R | 91.7 | Very high | 86.1 | Confident | 197 Ų | 197 | 70 Ų | 70 | 74% | 0.743 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | 129 | 172.6 | 176.8 | 173.4 | 179.3 | -157.8 | -1.3 | 110.5 | K134 E151 | K134-R149 WeakPolarHBondContact O-CG 3.49Å; K134-R149 PolarHBondContact O-NE 2.77Å; R149-E151 VanDerWaalsContact C-N 3.32Å |
| 150 | G | 90.9 | Very high | 85.2 | Confident | 31 Ų | 31 | 75.6 Ų | 75.6 | 32% | 0.32 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.6 | -7.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | A133 K148 | A133-G150 WeakPolarHBondContact O-CA 3.32Å; A133-G150 PolarHBondContact O-N 3.41Å; K148-G150 PolarHBondContact O-N 2.73Å |
| 151 | E | 92.9 | Very high | 84.8 | Confident | 49 Ų | 49 | 71.2 Ų | 71.2 | 23% | 0.229 | 36% | 0.362 | C | S | . | . | trans | -61.3 | 140.7 | 177.3 | -170.8 | 170.8 | 165.3 | 0 | 0 | 111.6 | R132 A133 F147 K148 R149 L153 | R132-E151 CarbonylContact C-O 3.51Å; R132-E151 WeakPolarHBondContact CA-O 3.07Å; A133-E151 HydrophobicContact CB-CB 4.32Å; A133-E151 PolarHBondContact N-O 3.07Å; F147-E151 VanDerWaalsContact CA-OE2 3.27Å; F147-E151 WeakPolarHBondContact CA-OE2 3.42Å; F147-E151 HydrophobicContact CB-CB 4.43Å; F147-E151 WeakPolarHBondContact CB-OE2 3.47Å; K148-E151 PolarHBondContact N-OE2 3.43Å; K148-E151 WeakPolarHBondContact O-CB 3.25Å; K148-E151 PolarHBondContact O-N 3.05Å; R149-E151 VanDerWaalsContact C-N 3.32Å; E151-L153 HydrophobicContact CG-CD2 4.17Å | ||
| 152 | A | 91.6 | Very high | 84.6 | Confident | 40 Ų | 40 | 68 Ų | 68 | 33% | 0.331 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 125.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | V131 W154 | V131-A152 WeakPolarHBondContact O-CA 3.19Å; A152-W154 HydrophobicContact CB-CH2 4.47Å; A152-W154 WeakPolarHBondContact O-CZ3 3.43Å |
| 153 | L | 90.5 | Very high | 84.9 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 158.1 | 178.7 | -54.7 | 172 | 0 | 0 | 0 | 109.2 | R130 V131 L145 F147 E151 A166 N168 I176 V181 | R130-L153 CarbonylContact C-O 3.56Å; R130-L153 WeakPolarHBondContact CA-O 3.25Å; V131-L153 HydrophobicContact CG2-CB 3.84Å; V131-L153 PolarHBondContact N-O 3.14Å; V131-L153 PolarHBondContact O-N 3.15Å; L145-L153 HydrophobicContact CD2-CD2 4.32Å; F147-L153 HydrophobicContact CB-CD1 3.97Å; F147-L153 HydrophobicContact CB-CD2 4.15Å; F147-L153 HydrophobicContact CD1-CD1 3.58Å; F147-L153 HydrophobicContact CD2-CD1 4.33Å; F147-L153 HydrophobicContact CE1-CD1 4.12Å; F147-L153 HydrophobicContact CG-CD1 3.71Å; E151-L153 HydrophobicContact CG-CD2 4.17Å; L153-A166 HydrophobicContact CB-CB 4.46Å; L153-N168 HydrophobicContact CD2-CB 3.8Å; L153-I176 HydrophobicContact CD1-CD1 3.99Å; L153-I176 HydrophobicContact CD1-CG2 4.23Å; L153-V181 HydrophobicContact CD1-CG1 4.2Å |
| 154 | W | 88.5 | Confident | 85 | Confident | 74 Ų | 74 | 60.3 Ų | 60.3 | 28% | 0.28 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 112 | 178.5 | -73.9 | -94.9 | 0 | 0 | 0 | 109 | L128 A152 I156 A166 R167 | L128-W154 HydrophobicContact CB-CB 3.84Å; L128-W154 HydrophobicContact CB-CG 4.3Å; L128-W154 HydrophobicContact CD2-CB 3.91Å; L128-W154 HydrophobicContact CG-CB 4.43Å; A152-W154 HydrophobicContact CB-CH2 4.47Å; A152-W154 WeakPolarHBondContact O-CZ3 3.43Å; W154-I156 PolarHBondContact O-N 3.05Å; W154-A166 CarbonylContact O-C 3.51Å; W154-A166 VanDerWaalsContact O-CA 3.24Å; W154-A166 WeakPolarHBondContact O-CA 3.15Å; W154-R167 HydrophobicContact CB-CG 3.69Å; W154-R167 PolarHBondContact N-O 2.74Å; W154-R167 PolarHBondContact O-N 3.45Å |
| 155 | V | 86.4 | Confident | 84.7 | Confident | 5 Ų | 5 | 60.6 Ų | 60.6 | 3% | 0.03 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 122.4 | -179.7 | 177.8 | 0 | 0 | 0 | 0 | 109.2 | L128 I129 V131 K158 W164 | L128-V155 WeakPolarHBondContact CA-O 3.32Å; I129-V155 HydrophobicContact CB-CB 4.33Å; I129-V155 PolarHBondContact N-O 2.97Å; I129-V155 PolarHBondContact O-N 3.49Å; V131-V155 HydrophobicContact CB-CG2 4.32Å; V131-V155 HydrophobicContact CG1-CG2 3.57Å; V131-V155 HydrophobicContact CG2-CG2 3.75Å; V155-K158 HydrophobicContact CG1-CG 3.77Å; V155-W164 HydrophobicContact CG1-CB 4.12Å; V155-W164 HydrophobicContact CG1-CD2 4.35Å; V155-W164 HydrophobicContact CG1-CE3 4.13Å; V155-W164 HydrophobicContact CG1-CG 4.4Å; V155-W164 HydrophobicContact CG2-CE3 3.66Å; V155-W164 HydrophobicContact CG2-CZ3 4.19Å |
| 156 | I | 80.8 | Confident | 84.6 | Confident | 34 Ų | 34 | 60.5 Ų | 60.5 | 17% | 0.174 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | -55 | 179.8 | -61.6 | -179.9 | 0 | 0 | 0 | 109 | R126 L128 W154 M165 R167 T173 | R126-I156 PolarHBondContact NE-O 3.22Å; R126-I156 PolarHBondContact NH2-O 3.13Å; L128-I156 HydrophobicContact CD2-CB 4.4Å; L128-I156 HydrophobicContact CD2-CG1 3.65Å; W154-I156 PolarHBondContact O-N 3.05Å; I156-M165 WeakPolarHBondContact CA-O 3.41Å; I156-M165 HydrophobicContact CB-CB 4.37Å; I156-M165 HydrophobicContact CB-CG 4.13Å; I156-M165 WeakPolarHBondContact CB-O 3.21Å; I156-M165 HydrophobicContact CD1-CG 4.18Å; I156-M165 HydrophobicContact CG2-CG 4.33Å; I156-M165 PolarHBondContact N-O 3.2Å; I156-R167 HydrophobicContact CD1-CB 4.05Å; I156-R167 HydrophobicContact CD1-CG 4.39Å; I156-R167 HydrophobicContact CG1-CG 4.43Å; I156-T173 HydrophobicContact CD1-CG2 3.68Å |
| 157 | R | 75.8 | Confident | 84.4 | Confident | 64 Ų | 64 | 61.4 Ų | 61.4 | 24% | 0.242 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 149.3 | 174.7 | 56.5 | 162.3 | -174.6 | -115.2 | -7.2 | 110.7 | D159 W164 M165 Y175 | R157-D159 WeakPolarHBondContact CD-OD1 3.25Å; R157-D159 IonicContact NE-OD1 3.49Å; R157-D159 IonicContact NE-OD2 3.65Å; R157-D159 PolarHBondContact NE-OD2 2.99Å; R157-W164 WeakPolarHBondContact O-CA 3.44Å; R157-W164 WeakPolarHBondContact O-CB 3.43Å; R157-M165 HydrophobicContact CG-CB 3.36Å; R157-M165 HydrophobicContact CG-CG 4.28Å; R157-M165 PolarHBondContact N-O 3.25Å; R157-M165 PolarHBondContact O-N 3.36Å; R157-Y175 PolarHBondContact NH2-OH 3.44Å |
| 158 | K | 77.9 | Confident | 84.2 | Confident | 107 Ų | 107 | 61.7 Ų | 61.7 | 47% | 0.465 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 107.6 | 173.6 | -67 | -176.5 | 173.1 | 173.9 | 0 | 108.5 | V155 W164 | V155-K158 HydrophobicContact CG1-CG 3.77Å; K158-W164 VanDerWaalsContact CA-CD1 3.48Å; K158-W164 HydrophobicContact CB-CD2 4.47Å; K158-W164 HydrophobicContact CB-CG 4.28Å; K158-W164 HydrophobicContact CD-CD2 4.43Å; K158-W164 HydrophobicContact CD-CH2 4.36Å; K158-W164 HydrophobicContact CD-CZ2 3.91Å; K158-W164 HydrophobicContact CG-CD2 3.83Å; K158-W164 HydrophobicContact CG-CE3 4.44Å; K158-W164 HydrophobicContact CG-CG 4.02Å; K158-W164 HydrophobicContact CG-CZ2 4.19Å |
| 159 | D | 68.7 | Low | 83.7 | Confident | 28 Ų | 28 | 59.3 Ų | 59.3 | 15% | 0.15 | 31% | 0.306 | C | S | . | . | trans | -84 | 149.6 | 175.2 | -57.8 | -51.1 | 0 | 0 | 0 | 110.5 | R157 S161 S162 W163 Y175 | R157-D159 WeakPolarHBondContact CD-OD1 3.25Å; R157-D159 IonicContact NE-OD1 3.49Å; R157-D159 IonicContact NE-OD2 3.65Å; R157-D159 PolarHBondContact NE-OD2 2.99Å; D159-S161 PolarHBondContact O-N 3.23Å; D159-S161 VanDerWaalsContact O-N 3.12Å; D159-S162 PolarHBondContact O-N 2.99Å; D159-W163 VanDerWaalsContact CB-O 3.31Å; D159-W163 WeakPolarHBondContact CB-O 3.43Å; D159-W163 PolarHBondContact N-O 2.71Å; D159-Y175 WeakPolarHBondContact OD2-CE1 3.41Å | ||
| 160 | P | 68.4 | Low | 83.3 | Confident | 138 Ų | 138 | 53.5 Ų | 53.5 | 90% | 0.896 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -19.7 | 176.7 | -24.8 | 34.3 | 0 | 0 | 0 | 114.1 | S162 | P160-S162 PolarHBondContact O-N 3.32Å; P160-S162 VanDerWaalsContact O-N 3.14Å |
| 161 | S | 70.1 | Confident | 82.6 | Confident | 76 Ų | 76 | 53.5 Ų | 53.5 | 53% | 0.531 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | 3.5 | -177.4 | 58.3 | 0 | 0 | 0 | 0 | 114.8 | D159 W163 | D159-S161 PolarHBondContact O-N 3.23Å; D159-S161 VanDerWaalsContact O-N 3.12Å; S161-W163 PolarHBondContact O-N 3.23Å |
| 162 | S | 80.2 | Confident | 81.9 | Confident | 74 Ų | 74 | 56.3 Ų | 56.3 | 52% | 0.517 | 30% | 0.302 | S | S | . | . | S | Bend | trans | 64.8 | 13.9 | -171.5 | -55.5 | 0 | 0 | 0 | 0 | 114.9 | D159 P160 A178 | D159-S162 PolarHBondContact O-N 2.99Å; P160-S162 PolarHBondContact O-N 3.32Å; P160-S162 VanDerWaalsContact O-N 3.14Å; S162-A178 WeakPolarHBondContact O-CB 3.35Å; S162-A178 PolarHBondContact O-N 3.28Å |
| 163 | W | 86.1 | Confident | 81.6 | Confident | 90 Ų | 90 | 58.6 Ų | 58.6 | 34% | 0.341 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 126.4 | 167.1 | -71.2 | 82.1 | 0 | 0 | 0 | 108.4 | F137 D144 D159 S161 Y175 I176 P177 | F137-W163 HydrophobicContact CE1-CZ3 4.16Å; F137-W163 HydrophobicContact CE2-CH2 4.21Å; F137-W163 HydrophobicContact CE2-CZ3 4.43Å; F137-W163 AromaticContact CZ-CH2 3.81Å; F137-W163 HydrophobicContact CZ-CH2 3.81Å; F137-W163 AromaticContact CZ-CZ3 3.65Å; F137-W163 HydrophobicContact CZ-CZ3 3.65Å; D144-W163 WeakPolarHBondContact OD1-CZ3 3.29Å; D159-W163 VanDerWaalsContact CB-O 3.31Å; D159-W163 WeakPolarHBondContact CB-O 3.43Å; D159-W163 PolarHBondContact N-O 2.71Å; S161-W163 PolarHBondContact O-N 3.23Å; W163-Y175 HydrophobicContact CB-CD1 4.35Å; W163-I176 CarbonylContact C-O 3.48Å; W163-I176 WeakPolarHBondContact CA-O 3.31Å; W163-P177 HydrophobicContact CE3-CB 4.45Å; W163-P177 HydrophobicContact CH2-CB 4.45Å; W163-P177 HydrophobicContact CH2-CG 4.44Å; W163-P177 HydrophobicContact CZ3-CB 4.41Å; W163-P177 HydrophobicContact CZ3-CG 4.31Å |
| 164 | W | 86.7 | Confident | 81.4 | Confident | 48 Ų | 48 | 58.7 Ų | 58.7 | 18% | 0.182 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 138.4 | -177.7 | -63.4 | -11.3 | 0 | 0 | 0 | 109 | V131 V155 R157 K158 Y175 I176 A178 V181 | V131-W164 HydrophobicContact CG1-CZ3 4.38Å; V155-W164 HydrophobicContact CG1-CB 4.12Å; V155-W164 HydrophobicContact CG1-CD2 4.35Å; V155-W164 HydrophobicContact CG1-CE3 4.13Å; V155-W164 HydrophobicContact CG1-CG 4.4Å; V155-W164 HydrophobicContact CG2-CE3 3.66Å; V155-W164 HydrophobicContact CG2-CZ3 4.19Å; R157-W164 WeakPolarHBondContact O-CA 3.44Å; R157-W164 WeakPolarHBondContact O-CB 3.43Å; K158-W164 VanDerWaalsContact CA-CD1 3.48Å; K158-W164 HydrophobicContact CB-CD2 4.47Å; K158-W164 HydrophobicContact CB-CG 4.28Å; K158-W164 HydrophobicContact CD-CD2 4.43Å; K158-W164 HydrophobicContact CD-CH2 4.36Å; K158-W164 HydrophobicContact CD-CZ2 3.91Å; K158-W164 HydrophobicContact CG-CD2 3.83Å; K158-W164 HydrophobicContact CG-CE3 4.44Å; K158-W164 HydrophobicContact CG-CG 4.02Å; K158-W164 HydrophobicContact CG-CZ2 4.19Å; W164-Y175 CarbonylContact O-C 3.58Å; W164-Y175 WeakPolarHBondContact O-CA 3.32Å; W164-I176 HydrophobicContact CB-CG1 4.08Å; W164-I176 PolarHBondContact N-O 2.75Å; W164-I176 VanDerWaalsContact O-CG1 3.23Å; W164-I176 WeakPolarHBondContact O-CG1 3.39Å; W164-I176 PolarHBondContact O-N 3.36Å; W164-A178 HydrophobicContact CD2-CB 3.66Å; W164-A178 HydrophobicContact CE3-CB 4.14Å; W164-A178 HydrophobicContact CG-CB 4.13Å; W164-A178 HydrophobicContact CH2-CB 4.08Å; W164-A178 HydrophobicContact CZ2-CB 3.59Å; W164-A178 HydrophobicContact CZ3-CB 4.33Å; W164-V181 HydrophobicContact CE3-CG2 3.99Å; W164-V181 HydrophobicContact CZ3-CG2 3.78Å |
| 165 | M | 83 | Confident | 81.4 | Confident | 23 Ų | 23 | 58.1 Ų | 58.1 | 11% | 0.113 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 127.4 | 167.1 | -176.2 | 57.6 | 65.4 | 0 | 0 | 107.9 | I156 R157 G174 Y175 | I156-M165 WeakPolarHBondContact CA-O 3.41Å; I156-M165 HydrophobicContact CB-CB 4.37Å; I156-M165 HydrophobicContact CB-CG 4.13Å; I156-M165 WeakPolarHBondContact CB-O 3.21Å; I156-M165 HydrophobicContact CD1-CG 4.18Å; I156-M165 HydrophobicContact CG2-CG 4.33Å; I156-M165 PolarHBondContact N-O 3.2Å; R157-M165 HydrophobicContact CG-CB 3.36Å; R157-M165 HydrophobicContact CG-CG 4.28Å; R157-M165 PolarHBondContact N-O 3.25Å; R157-M165 PolarHBondContact O-N 3.36Å; M165-G174 WeakPolarHBondContact SD-CA 3.03Å; M165-G174 PolarHBondContact SD-N 3.18Å; M165-G174 VanDerWaalsContact SD-N 3.42Å; M165-G174 VanDerWaalsContact SD-O 3.35Å; M165-Y175 HydrophobicContact CE-CD1 4.02Å; M165-Y175 HydrophobicContact CE-CD2 3.49Å; M165-Y175 VanDerWaalsContact CE-CD2 3.49Å; M165-Y175 HydrophobicContact CE-CE1 3.89Å; M165-Y175 HydrophobicContact CE-CE2 3.31Å; M165-Y175 HydrophobicContact CE-CG 3.87Å |
| 166 | A | 88.1 | Confident | 81.6 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 168.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | L145 L153 W154 T173 G174 I176 | L145-A166 HydrophobicContact CD2-CB 4.21Å; L153-A166 HydrophobicContact CB-CB 4.46Å; W154-A166 CarbonylContact O-C 3.51Å; W154-A166 VanDerWaalsContact O-CA 3.24Å; W154-A166 WeakPolarHBondContact O-CA 3.15Å; A166-T173 VanDerWaalsContact O-CA 3.25Å; A166-T173 WeakPolarHBondContact O-CA 3.33Å; A166-G174 PolarHBondContact N-O 2.72Å; A166-G174 PolarHBondContact O-N 3.41Å; A166-I176 HydrophobicContact CB-CD1 3.53Å; A166-I176 HydrophobicContact CB-CG1 3.74Å; A166-I176 HydrophobicContact CB-CG2 4.1Å |
| 167 | R | 87.2 | Confident | 82 | Confident | 85 Ų | 85 | 56.6 Ų | 56.6 | 32% | 0.321 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 146.3 | 163.9 | 63.1 | -174.7 | -166.3 | -176.3 | 7.2 | 111.5 | L128 W154 I156 Q172 T173 | L128-R167 VanDerWaalsContact CD1-NH2 3.32Å; L128-R167 HydrophobicContact CD2-CG 4.29Å; W154-R167 HydrophobicContact CB-CG 3.69Å; W154-R167 PolarHBondContact N-O 2.74Å; W154-R167 PolarHBondContact O-N 3.45Å; I156-R167 HydrophobicContact CD1-CB 4.05Å; I156-R167 HydrophobicContact CD1-CG 4.39Å; I156-R167 HydrophobicContact CG1-CG 4.43Å; R167-Q172 CarbonylContact C-O 3.55Å; R167-Q172 WeakPolarHBondContact CA-O 3.47Å; R167-T173 HydrophobicContact CB-CG2 4.1Å |
| 168 | N | 88.5 | Confident | 82.6 | Confident | 9 Ų | 9 | 54.2 Ų | 54.2 | 5% | 0.048 | 30% | 0.298 | C | S | . | . | trans | -88.5 | -177.5 | 170.2 | 68.3 | 11.4 | 0 | 0 | 0 | 111.6 | L145 L153 I170 G171 Q172 | L145-N168 HydrophobicContact CD1-CB 4.41Å; L145-N168 HydrophobicContact CD2-CB 4.3Å; L153-N168 HydrophobicContact CD2-CB 3.8Å; N168-I170 VanDerWaalsContact CG-CG1 3.5Å; N168-I170 WeakPolarHBondContact ND2-CG1 3.29Å; N168-I170 PolarHBondContact O-N 3.2Å; N168-I170 WeakPolarHBondContact OD1-CG1 3.26Å; N168-I170 PolarHBondContact OD1-N 3.03Å; N168-I170 VanDerWaalsContact OD1-N 3.15Å; N168-G171 PolarHBondContact O-N 2.95Å; N168-G171 PolarHBondContact OD1-N 3.35Å; N168-G171 VanDerWaalsContact OD1-N 3.14Å; N168-Q172 PolarHBondContact N-O 3.35Å; N168-Q172 PolarHBondContact ND2-OE1 3.32Å; N168-Q172 PolarHBondContact OD1-N 3.35Å; N168-Q172 PolarHBondContact OD1-O 2.75Å | ||
| 169 | S | 84.1 | Confident | 83.1 | Confident | 74 Ų | 74 | 53.9 Ų | 53.9 | 52% | 0.517 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -19.4 | -178.4 | 57.6 | 0 | 0 | 0 | 0 | 114.2 | F278 | S169-F278 VanDerWaalsContact O-CE2 3.26Å; S169-F278 WeakPolarHBondContact O-CE2 3.19Å |
| 170 | I | 82 | Confident | 84.1 | Confident | 75 Ų | 75 | 56.3 Ų | 56.3 | 39% | 0.385 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | 1 | 177.5 | 60.6 | 169.4 | 0 | 0 | 0 | 113 | N168 Q172 | N168-I170 VanDerWaalsContact CG-CG1 3.5Å; N168-I170 WeakPolarHBondContact ND2-CG1 3.29Å; N168-I170 PolarHBondContact O-N 3.2Å; N168-I170 WeakPolarHBondContact OD1-CG1 3.26Å; N168-I170 PolarHBondContact OD1-N 3.03Å; N168-I170 VanDerWaalsContact OD1-N 3.15Å; I170-Q172 HydrophobicContact CD1-CG 3.96Å; I170-Q172 HydrophobicContact CG1-CG 4.07Å |
| 171 | G | 76.1 | Confident | 85.2 | Confident | 30 Ų | 30 | 50.1 Ų | 50.1 | 31% | 0.309 | 27% | 0.268 | S | S | . | . | trans | 88.2 | 2.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | N168 | N168-G171 PolarHBondContact O-N 2.95Å; N168-G171 PolarHBondContact OD1-N 3.35Å; N168-G171 VanDerWaalsContact OD1-N 3.14Å | ||
| 172 | Q | 80 | Confident | 86.1 | Confident | 109 Ų | 109 | 49.9 Ų | 49.9 | 51% | 0.509 | 26% | 0.259 | S | S | . | . | trans | -67.3 | 136 | 172.2 | -69.1 | 174.5 | -32.8 | 0 | 0 | 109.5 | L145 R167 N168 I170 | L145-Q172 HydrophobicContact CD1-CB 3.82Å; R167-Q172 CarbonylContact C-O 3.55Å; R167-Q172 WeakPolarHBondContact CA-O 3.47Å; N168-Q172 PolarHBondContact N-O 3.35Å; N168-Q172 PolarHBondContact ND2-OE1 3.32Å; N168-Q172 PolarHBondContact OD1-N 3.35Å; N168-Q172 PolarHBondContact OD1-O 2.75Å; I170-Q172 HydrophobicContact CD1-CG 3.96Å; I170-Q172 HydrophobicContact CG1-CG 4.07Å | ||
| 173 | T | 84.7 | Confident | 86.2 | Confident | 87 Ų | 87 | 49.2 Ų | 49.2 | 53% | 0.534 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 143.3 | 178.3 | 59.1 | 0 | 0 | 0 | 0 | 110.3 | I156 A166 R167 | I156-T173 HydrophobicContact CD1-CG2 3.68Å; A166-T173 VanDerWaalsContact O-CA 3.25Å; A166-T173 WeakPolarHBondContact O-CA 3.33Å; R167-T173 HydrophobicContact CB-CG2 4.1Å |
| 174 | G | 86.2 | Confident | 85.1 | Confident | 2 Ų | 2 | 50.3 Ų | 50.3 | 2% | 0.021 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -179.8 | 177.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | D143 M165 A166 | D143-G174 CarbonylContact O-C 3.53Å; D143-G174 WeakPolarHBondContact O-CA 3.24Å; M165-G174 WeakPolarHBondContact SD-CA 3.03Å; M165-G174 PolarHBondContact SD-N 3.18Å; M165-G174 VanDerWaalsContact SD-N 3.42Å; M165-G174 VanDerWaalsContact SD-O 3.35Å; A166-G174 PolarHBondContact N-O 2.72Å; A166-G174 PolarHBondContact O-N 3.41Å |
| 175 | Y | 87.7 | Confident | 83.2 | Confident | 63 Ų | 63 | 52.6 Ų | 52.6 | 25% | 0.247 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 142 | -179 | -71 | -82.4 | 0 | 0 | 0 | 112.2 | D143 L145 R157 D159 W163 W164 M165 | D143-Y175 HydrophobicContact CB-CD2 4.02Å; D143-Y175 HydrophobicContact CB-CE2 4.31Å; D143-Y175 PolarHBondContact O-N 3.3Å; L145-Y175 PolarHBondContact N-O 3.01Å; R157-Y175 PolarHBondContact NH2-OH 3.44Å; D159-Y175 WeakPolarHBondContact OD2-CE1 3.41Å; W163-Y175 HydrophobicContact CB-CD1 4.35Å; W164-Y175 CarbonylContact O-C 3.58Å; W164-Y175 WeakPolarHBondContact O-CA 3.32Å; M165-Y175 HydrophobicContact CE-CD1 4.02Å; M165-Y175 HydrophobicContact CE-CD2 3.49Å; M165-Y175 VanDerWaalsContact CE-CD2 3.49Å; M165-Y175 HydrophobicContact CE-CE1 3.89Å; M165-Y175 HydrophobicContact CE-CE2 3.31Å; M165-Y175 HydrophobicContact CE-CG 3.87Å |
| 176 | I | 90.9 | Very high | 81.3 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 142.7 | 176.2 | 62.4 | 162 | 0 | 0 | 0 | 110.3 | V131 L145 F147 L153 W163 W164 A166 A178 V181 | V131-I176 HydrophobicContact CG2-CD1 4.36Å; L145-I176 HydrophobicContact CB-CG2 3.86Å; L145-I176 HydrophobicContact CD2-CG2 4.21Å; L145-I176 HydrophobicContact CG-CG2 4.39Å; F147-I176 HydrophobicContact CD1-CB 4.43Å; F147-I176 HydrophobicContact CD1-CG2 3.74Å; F147-I176 HydrophobicContact CE1-CB 3.71Å; F147-I176 HydrophobicContact CE1-CG2 3.51Å; L153-I176 HydrophobicContact CD1-CD1 3.99Å; L153-I176 HydrophobicContact CD1-CG2 4.23Å; W163-I176 CarbonylContact C-O 3.48Å; W163-I176 WeakPolarHBondContact CA-O 3.31Å; W164-I176 HydrophobicContact CB-CG1 4.08Å; W164-I176 PolarHBondContact N-O 2.75Å; W164-I176 VanDerWaalsContact O-CG1 3.23Å; W164-I176 WeakPolarHBondContact O-CG1 3.39Å; W164-I176 PolarHBondContact O-N 3.36Å; A166-I176 HydrophobicContact CB-CD1 3.53Å; A166-I176 HydrophobicContact CB-CG1 3.74Å; A166-I176 HydrophobicContact CB-CG2 4.1Å; I176-A178 PolarHBondContact O-N 2.86Å; I176-V181 HydrophobicContact CD1-CG1 3.8Å; I176-V181 HydrophobicContact CD1-CG2 4.17Å |
| 177 | P | 89.4 | Confident | 78.9 | Confident | 7 Ų | 7 | 63.2 Ų | 63.2 | 5% | 0.045 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 123.2 | 173.7 | 20.1 | -23.4 | 0 | 0 | 0 | 110.8 | F137 W163 N179 Y180 | F137-P177 HydrophobicContact CD1-CG 4.49Å; F137-P177 HydrophobicContact CD2-CG 4.19Å; F137-P177 HydrophobicContact CE2-CG 4.31Å; F137-P177 HydrophobicContact CG-CG 4.29Å; W163-P177 HydrophobicContact CE3-CB 4.45Å; W163-P177 HydrophobicContact CH2-CB 4.45Å; W163-P177 HydrophobicContact CH2-CG 4.44Å; W163-P177 HydrophobicContact CZ3-CB 4.41Å; W163-P177 HydrophobicContact CZ3-CG 4.31Å; P177-N179 WeakPolarHBondContact CB-OD1 3.5Å; P177-N179 PolarHBondContact O-N 2.87Å; P177-Y180 HydrophobicContact CB-CD2 3.89Å; P177-Y180 HydrophobicContact CB-CG 4.24Å; P177-Y180 HydrophobicContact CG-CD1 4.13Å; P177-Y180 HydrophobicContact CG-CD2 3.73Å; P177-Y180 HydrophobicContact CG-CE2 4.31Å; P177-Y180 HydrophobicContact CG-CG 3.64Å; P177-Y180 WeakPolarHBondContact O-CB 3.43Å; P177-Y180 PolarHBondContact O-N 3.42Å |
| 178 | A | 88 | Confident | 76.4 | Confident | 14 Ų | 14 | 62 Ų | 62 | 12% | 0.116 | 36% | 0.355 | C | S | . | . | G | 310 helix | trans | -58.2 | -34.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113 | S162 W164 I176 Y180 V181 | S162-A178 WeakPolarHBondContact O-CB 3.35Å; S162-A178 PolarHBondContact O-N 3.28Å; W164-A178 HydrophobicContact CD2-CB 3.66Å; W164-A178 HydrophobicContact CE3-CB 4.14Å; W164-A178 HydrophobicContact CG-CB 4.13Å; W164-A178 HydrophobicContact CH2-CB 4.08Å; W164-A178 HydrophobicContact CZ2-CB 3.59Å; W164-A178 HydrophobicContact CZ3-CB 4.33Å; I176-A178 PolarHBondContact O-N 2.86Å; A178-Y180 PolarHBondContact O-N 3.21Å; A178-V181 VanDerWaalsContact O-CG2 3.32Å; A178-V181 WeakPolarHBondContact O-CG2 3.4Å; A178-V181 PolarHBondContact O-N 3.19Å |
| 179 | N | 88.8 | Confident | 74.1 | Confident | 100 Ų | 100 | 68.7 Ų | 68.7 | 54% | 0.535 | 39% | 0.389 | S | S | . | . | G | 310 helix | trans | -72.1 | -12.9 | 177.9 | 62.8 | -35 | 0 | 0 | 0 | 113.5 | K134 P177 | K134-N179 WeakPolarHBondContact CE-O 3.5Å; K134-N179 PolarHBondContact NZ-O 2.83Å; P177-N179 WeakPolarHBondContact CB-OD1 3.5Å; P177-N179 PolarHBondContact O-N 2.87Å |
| 180 | Y | 90.2 | Very high | 72 | Confident | 79 Ų | 79 | 69.1 Ų | 69.1 | 31% | 0.31 | 40% | 0.397 | S | S | . | . | G | 310 helix | trans | -88.7 | -6.7 | 176.7 | -81.9 | -131.8 | 0 | 0 | 0 | 112.9 | K134 F135 F137 F147 P177 A178 | K134-Y180 WeakPolarHBondContact CB-O 3.49Å; K134-Y180 PolarHBondContact N-O 2.81Å; F135-Y180 HydrophobicContact CB-CD1 3.67Å; F135-Y180 HydrophobicContact CB-CE1 3.94Å; F135-Y180 HydrophobicContact CB-CG 4.33Å; F135-Y180 HydrophobicContact CD2-CD1 4.28Å; F135-Y180 HydrophobicContact CD2-CD2 4.4Å; F135-Y180 HydrophobicContact CD2-CG 4.15Å; F135-Y180 HydrophobicContact CG-CD1 4.45Å; F137-Y180 HydrophobicContact CB-CD1 4.14Å; F147-Y180 HydrophobicContact CE2-CD1 4.38Å; F147-Y180 HydrophobicContact CZ-CD1 4.23Å; F147-Y180 HydrophobicContact CZ-CG 4.42Å; P177-Y180 HydrophobicContact CB-CD2 3.89Å; P177-Y180 HydrophobicContact CB-CG 4.24Å; P177-Y180 HydrophobicContact CG-CD1 4.13Å; P177-Y180 HydrophobicContact CG-CD2 3.73Å; P177-Y180 HydrophobicContact CG-CE2 4.31Å; P177-Y180 HydrophobicContact CG-CG 3.64Å; P177-Y180 WeakPolarHBondContact O-CB 3.43Å; P177-Y180 PolarHBondContact O-N 3.42Å; A178-Y180 PolarHBondContact O-N 3.21Å |
| 181 | V | 91.2 | Very high | 70 | Confident | 7 Ų | 7 | 68.9 Ų | 68.9 | 4% | 0.042 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 158.6 | -179.1 | -62.9 | 0 | 0 | 0 | 0 | 111.9 | V131 R132 K134 F147 L153 W164 I176 A178 | V131-V181 HydrophobicContact CB-CB 3.92Å; V131-V181 HydrophobicContact CB-CG2 4.15Å; V131-V181 HydrophobicContact CG1-CG2 4.42Å; V131-V181 HydrophobicContact CG2-CB 3.77Å; V131-V181 HydrophobicContact CG2-CG1 3.91Å; V131-V181 HydrophobicContact CG2-CG2 3.98Å; R132-V181 CarbonylContact O-C 3.59Å; R132-V181 VanDerWaalsContact O-CA 3.26Å; R132-V181 WeakPolarHBondContact O-CA 3.38Å; K134-V181 VanDerWaalsContact CE-O 3.28Å; K134-V181 WeakPolarHBondContact CE-O 3.45Å; K134-V181 PolarHBondContact NZ-O 3.15Å; F147-V181 HydrophobicContact CZ-CG1 4.42Å; L153-V181 HydrophobicContact CD1-CG1 4.2Å; W164-V181 HydrophobicContact CE3-CG2 3.99Å; W164-V181 HydrophobicContact CZ3-CG2 3.78Å; I176-V181 HydrophobicContact CD1-CG1 3.8Å; I176-V181 HydrophobicContact CD1-CG2 4.17Å; A178-V181 VanDerWaalsContact O-CG2 3.32Å; A178-V181 WeakPolarHBondContact O-CG2 3.4Å; A178-V181 PolarHBondContact O-N 3.19Å |
| 182 | E | 89.7 | Confident | 68.5 | Low | 72 Ų | 72 | 76.1 Ų | 76.1 | 34% | 0.336 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 130.1 | 171 | 59.4 | -177.1 | -167.5 | 0 | 0 | 109.2 | V131 R132 K134 R184 | V131-E182 CarbonylContact C-O 3.59Å; V131-E182 VanDerWaalsContact CA-O 3.25Å; V131-E182 WeakPolarHBondContact CA-O 3.11Å; V131-E182 WeakPolarHBondContact CB-O 3.42Å; R132-E182 HydrophobicContact CB-CG 3.97Å; R132-E182 PolarHBondContact N-O 2.85Å; R132-E182 IonicContact NH1-OE1 2.99Å; R132-E182 PolarHBondContact O-N 3.5Å; K134-E182 HydrophobicContact CD-CB 4.08Å; K134-E182 HydrophobicContact CD-CG 4.49Å; K134-E182 HydrophobicContact CG-CB 4.04Å; K134-E182 HydrophobicContact CG-CG 3.95Å; E182-R184 PolarHBondContact O-N 3.34Å |
| 183 | A | 81.1 | Confident | 66.6 | Low | 60 Ų | 60 | 76.1 Ų | 76.1 | 50% | 0.496 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 121.6 | 165.2 | 0 | 0 | 0 | 0 | 0 | 106.9 | I129 V131 P185 | I129-A183 HydrophobicContact CG2-CB 4.33Å; V131-A183 HydrophobicContact CG1-CB 4.4Å; A183-P185 VanDerWaalsContact O-CD 3.26Å; A183-P185 WeakPolarHBondContact O-CD 3.23Å |
| 184 | R | 63.2 | Low | 64.5 | Low | 113 Ų | 113 | 76.1 Ų | 76.1 | 43% | 0.426 | 45% | 0.445 | S | S | . | . | trans | -85.8 | 113.1 | 164.4 | -82.3 | -164.2 | -177.8 | -168.3 | 3.9 | 107.4 | E182 | E182-R184 PolarHBondContact O-N 3.34Š| ||
| 185 | P | 47.2 | Very low | 62.7 | Low | 95 Ų | 95 | 83.3 Ų | 83.3 | 62% | 0.617 | 48% | 0.483 | S | S | * | . | trans | -58.8 | 141.7 | 162.8 | -14.3 | 29.1 | 0 | 0 | 0 | 108.2 | A183 A187 | A183-P185 VanDerWaalsContact O-CD 3.26Å; A183-P185 WeakPolarHBondContact O-CD 3.23Å; P185-A187 HydrophobicContact CB-CB 4.49Å; P185-A187 PolarHBondContact O-N 3.44Å | ||
| 186 | L | 44 | Very low | 60.5 | Low | 162 Ų | 162 | 87.1 Ų | 87.1 | 85% | 0.848 | 51% | 0.507 | S | S | * | . | G | 310 helix | trans | -58.2 | -4 | 175.2 | -82.3 | 147.7 | 0 | 0 | 0 | 113.6 | ||
| 187 | A | 36.5 | Very low | 57.7 | Low | 84 Ų | 84 | 96.8 Ų | 96.8 | 69% | 0.694 | 55% | 0.55 | S | S | * | . | G | 310 helix | trans | -84.2 | -1 | -174.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | P185 | P185-A187 HydrophobicContact CB-CB 4.49Å; P185-A187 PolarHBondContact O-N 3.44Å |
| 188 | S | 34 | Very low | 55.6 | Low | 59 Ų | 59 | 105 Ų | 105 | 41% | 0.413 | 59% | 0.587 | S | S | . | * | G | 310 helix | trans | -91.3 | 3.7 | -177.5 | 62.5 | 0 | 0 | 0 | 0 | 116.1 | A190 | S188-A190 VanDerWaalsContact C-N 3.28Å; S188-A190 PolarHBondContact O-N 2.82Å |
| 189 | I | 42.1 | Very low | 53.2 | Low | 150 Ų | 150 | 110.2 Ų | 110.2 | 77% | 0.769 | 62% | 0.623 | S | S | * | * | G | 310 helix | trans | -80.1 | -9.5 | 176.6 | -59.7 | 176.2 | 0 | 0 | 0 | 112 | ||
| 190 | A | 38.4 | Very low | 50.7 | Low | 84 Ų | 84 | 109 Ų | 109 | 69% | 0.694 | 63% | 0.634 | S | S | * | * | G | 310 helix | trans | -93.2 | 1.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | S188 | S188-A190 VanDerWaalsContact C-N 3.28Å; S188-A190 PolarHBondContact O-N 2.82Å |
| 191 | A | 40.9 | Very low | 48.4 | Very low | 70 Ų | 70 | 110.6 Ų | 110.6 | 58% | 0.579 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -114.3 | 8.2 | -169.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 192 | F | 44.2 | Very low | 45.8 | Very low | 182 Ų | 182 | 116.6 Ų | 116.6 | 80% | 0.798 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -113.5 | 8 | 177.8 | -84.2 | -80.3 | 0 | 0 | 0 | 114.4 | ||
| 193 | S | 40.6 | Very low | 43.3 | Very low | 109 Ų | 109 | 116.8 Ų | 116.8 | 76% | 0.762 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -95.9 | 12.7 | 178.5 | 48.9 | 0 | 0 | 0 | 0 | 114.5 | ||
| 194 | S | 41.1 | Very low | 41.1 | Very low | 86 Ų | 86 | 122.7 Ų | 122.7 | 60% | 0.601 | 73% | 0.732 | S | S | * | * | trans | -133.2 | 77.6 | 176.6 | 57.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 195 | L | 47.9 | Very low | 40.1 | Very low | 154 Ų | 154 | 122.2 Ų | 122.2 | 81% | 0.806 | 75% | 0.746 | S | S | * | * | trans | -119.9 | 112.8 | 159.8 | -89.1 | 162.1 | 0 | 0 | 0 | 107.2 | ||||
| 196 | D | 40.4 | Very low | 39.9 | Very low | 142 Ų | 142 | 122 Ų | 122 | 76% | 0.759 | 75% | 0.752 | S | S | * | * | trans | -60.6 | 131.3 | -168.3 | -64.5 | -62.8 | 0 | 0 | 0 | 112.7 | H198 | D196-H198 PolarHBondContact O-N 3.4Š| ||
| 197 | F | 33.2 | Very low | 40 | Very low | 204 Ų | 204 | 121.9 Ų | 121.9 | 90% | 0.895 | 75% | 0.753 | S | S | * | * | trans | -75.2 | 94.8 | 168.2 | -161.7 | -94.3 | 0 | 0 | 0 | 107.5 | ||||
| 198 | H | 46.1 | Very low | 40.3 | Very low | 178 Ų | 178 | 123 Ų | 123 | 82% | 0.824 | 75% | 0.753 | S | S | * | * | trans | -126.6 | 112.2 | 167.8 | -93.7 | 53.8 | 0 | 0 | 0 | 111.1 | D196 | D196-H198 PolarHBondContact O-N 3.4Š| ||
| 199 | S | 36.8 | Very low | 40.5 | Very low | 124 Ų | 124 | 126.7 Ų | 126.7 | 87% | 0.867 | 77% | 0.773 | S | S | * | * | trans | -62.3 | 136.7 | 173.1 | -175.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 200 | G | 36.8 | Very low | 40 | Very low | 76 Ų | 76 | 128.4 Ų | 128.4 | 78% | 0.784 | 77% | 0.774 | S | S | * | * | trans | 178.7 | 83.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 201 | S | 40.3 | Very low | 39.9 | Very low | 111 Ų | 111 | 131.2 Ų | 131.2 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | trans | -27 | 121.8 | 168.1 | -147 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 202 | T | 36.9 | Very low | 39.3 | Very low | 133 Ų | 133 | 136 Ų | 136 | 82% | 0.816 | 79% | 0.79 | S | S | * | * | 33 | 131.2 | 129.2 | 60.4 | 0 | 0 | 0 | 0 | 124.5 | |||||
| 203 | G | 36.9 | Very low | 38.7 | Very low | 76 Ų | 76 | 134.3 Ų | 134.3 | 78% | 0.784 | 80% | 0.796 | S | S | * | * | trans | 120.7 | 128.4 | 151.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 204 | E | 36.3 | Very low | 38.2 | Very low | 184 Ų | 184 | 132.2 Ų | 132.2 | 86% | 0.86 | 79% | 0.791 | S | S | * | * | cis | -173 | 150.4 | 14 | -155 | 176.4 | 111.8 | 0 | 0 | 108.5 | ||||
| 205 | S | 42.2 | Very low | 37.6 | Very low | 104 Ų | 104 | 138.1 Ų | 138.1 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | trans | 79.6 | 118.6 | 152.5 | -69.9 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 206 | A | 42.7 | Very low | 36.8 | Very low | 90 Ų | 90 | 136.6 Ų | 136.6 | 74% | 0.744 | 81% | 0.808 | S | S | * | * | trans | 100.2 | 99.3 | 131.3 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 207 | D | 45 | Very low | 36.5 | Very low | 159 Ų | 159 | 138.5 Ų | 138.5 | 85% | 0.85 | 81% | 0.81 | S | S | * | * | trans | 61.2 | 154.9 | 136.5 | -76.3 | -33.6 | 0 | 0 | 0 | 121.6 | ||||
| 208 | P | 43.3 | Very low | 36.6 | Very low | 109 Ų | 109 | 133.9 Ų | 133.9 | 71% | 0.708 | 80% | 0.803 | S | S | * | * | cis | -142.1 | -176.6 | 3.2 | 30.6 | -4.5 | 0 | 0 | 0 | 116.8 | ||||
| 209 | V | 38.7 | Very low | 36.2 | Very low | 136 Ų | 136 | 132 Ų | 132 | 82% | 0.824 | 80% | 0.799 | S | S | * | * | trans | 88.1 | 118.3 | 150.6 | -161.5 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 210 | K | 30.6 | Very low | 36 | Very low | 185 Ų | 185 | 130.1 Ų | 130.1 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | trans | -58.2 | 131.1 | 168.9 | -74.4 | 164.6 | 169.4 | 169 | 0 | 114.5 | ||||
| 211 | V | 37.7 | Very low | 36.3 | Very low | 144 Ų | 144 | 129.4 Ų | 129.4 | 87% | 0.873 | 77% | 0.767 | S | S | * | * | trans | -138 | 125.6 | 140.1 | -177.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 212 | K | 28.7 | Very low | 36.7 | Very low | 169 Ų | 169 | 131.6 Ų | 131.6 | 74% | 0.735 | 77% | 0.768 | S | S | * | * | trans | -84.7 | 162.5 | 176.9 | -66.7 | 178.2 | 172.5 | -178.2 | 0 | 110 | ||||
| 213 | T | 31.5 | Very low | 37.2 | Very low | 148 Ų | 148 | 134.2 Ų | 134.2 | 91% | 0.908 | 77% | 0.771 | S | S | * | * | trans | 79.1 | 133.3 | 163.1 | 75.7 | 0 | 0 | 0 | 0 | 115 | ||||
| 214 | G | 29.4 | Very low | 38.2 | Very low | 65 Ų | 65 | 134.3 Ų | 134.3 | 67% | 0.67 | 75% | 0.748 | S | S | * | * | cis | -162.5 | 159.8 | 1.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | S216 | G214-S216 PolarHBondContact O-N 3.34Š| ||
| 215 | K | 27.9 | Very low | 39.4 | Very low | 209 Ų | 209 | 134.7 Ų | 134.7 | 91% | 0.909 | 75% | 0.747 | S | S | * | * | trans | -53.2 | 111.5 | -174.8 | -68.6 | 172 | 175.8 | 177.5 | 0 | 112.5 | K217 | K215-K217 PolarHBondContact O-N 2.97Š| ||
| 216 | S | 32 | Very low | 40.9 | Very low | 122 Ų | 122 | 133 Ų | 133 | 85% | 0.853 | 73% | 0.729 | S | S | * | * | trans | -77 | 99.5 | 169.2 | -61.9 | 0 | 0 | 0 | 0 | 110 | G214 S218 | G214-S216 PolarHBondContact O-N 3.34Å; S216-S218 PolarHBondContact O-N 3.1Å | ||
| 217 | K | 33.5 | Very low | 42.7 | Very low | 182 Ų | 182 | 132.1 Ų | 132.1 | 79% | 0.791 | 72% | 0.716 | S | S | * | * | trans | -64.3 | 116.9 | 168 | -71.9 | -175.4 | 177.2 | -176.5 | 0 | 108.5 | K215 | K215-K217 PolarHBondContact O-N 2.97Š| ||
| 218 | S | 34.5 | Very low | 44.6 | Very low | 108 Ų | 108 | 125.2 Ų | 125.2 | 76% | 0.755 | 68% | 0.681 | S | S | * | * | trans | -59.8 | 128.1 | 174.6 | 49.3 | 0 | 0 | 0 | 0 | 111.4 | S216 P220 | S216-S218 PolarHBondContact O-N 3.1Å; S218-P220 VanDerWaalsContact O-CD 3.3Å; S218-P220 WeakPolarHBondContact O-CD 3.01Å | ||
| 219 | N | 37.7 | Very low | 46.7 | Very low | 137 Ų | 137 | 126.7 Ų | 126.7 | 73% | 0.733 | 67% | 0.673 | S | S | * | * | trans | -74.4 | 110.8 | 177.5 | -168.7 | -7.4 | 0 | 0 | 0 | 110.5 | S221 | N219-S221 PolarHBondContact O-N 3.05Å; N219-S221 PolarHBondContact OD1-OG 2.89Å | ||
| 220 | P | 33.8 | Very low | 48.9 | Very low | 86 Ų | 86 | 120.2 Ų | 120.2 | 56% | 0.558 | 63% | 0.634 | S | S | * | * | trans | -102.1 | 57.9 | -172.5 | 38.6 | -27.9 | 0 | 0 | 0 | 111.2 | S218 | S218-P220 VanDerWaalsContact O-CD 3.3Å; S218-P220 WeakPolarHBondContact O-CD 3.01Å | ||
| 221 | S | 42.6 | Very low | 51.7 | Low | 61 Ų | 61 | 116.9 Ų | 116.9 | 43% | 0.427 | 62% | 0.616 | S | S | . | * | trans | -107.4 | 6 | -169.9 | 43.6 | 0 | 0 | 0 | 0 | 115.9 | N219 | N219-S221 PolarHBondContact O-N 3.05Å; N219-S221 PolarHBondContact OD1-OG 2.89Å | ||
| 222 | I | 49.7 | Very low | 54 | Low | 157 Ų | 157 | 110.1 Ų | 110.1 | 81% | 0.805 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -118.3 | -1.2 | 179.9 | -63.8 | 174.6 | 0 | 0 | 0 | 113.7 | ||
| 223 | Q | 46.8 | Very low | 56.7 | Low | 187 Ų | 187 | 106.1 Ų | 106.1 | 87% | 0.874 | 56% | 0.558 | S | S | * | * | trans | -136 | 53.5 | 173.6 | -70.9 | -179 | 0.9 | 0 | 0 | 111.4 | K225 | Q223-K225 PolarHBondContact O-N 2.8Š| ||
| 224 | R | 58.3 | Low | 58.8 | Low | 79 Ų | 79 | 104 Ų | 104 | 30% | 0.298 | 54% | 0.538 | S | S | . | . | P | Polyproline II helix | trans | -72.1 | 123.5 | 169.9 | -73.3 | -165.9 | 176.3 | 125.1 | -6.1 | 109.1 | L226 F283 D285 | R224-L226 PolarHBondContact O-N 3.35Å; R224-F283 VanDerWaalsContact NH1-CG 3.31Å; R224-D285 IonicContact CZ-OD1 3.92Å; R224-D285 IonicContact NE-OD1 3.94Å; R224-D285 IonicContact NH2-OD1 3.84Å; R224-D285 PolarHBondContact NH2-OD1 2.79Å; R224-D285 IonicContact NH2-OD2 2.71Å |
| 225 | K | 61.7 | Low | 61.3 | Low | 191 Ų | 191 | 103.6 Ų | 103.6 | 83% | 0.83 | 53% | 0.528 | S | S | * | . | P | Polyproline II helix | trans | -71 | 118.2 | 176.9 | -166.8 | 175.2 | -177.4 | -179.2 | 0 | 108.4 | Q223 P227 | Q223-K225 PolarHBondContact O-N 2.8Å; K225-P227 CarbonylContact O-C 3.49Å |
| 226 | L | 73.9 | Confident | 63.7 | Low | 68 Ų | 68 | 95.4 Ų | 95.4 | 36% | 0.356 | 49% | 0.492 | S | S | . | . | S | Bend | trans | -79.7 | 145.3 | 173.2 | -66.9 | 168.7 | 0 | 0 | 0 | 109.7 | R224 A228 V256 M259 | R224-L226 PolarHBondContact O-N 3.35Å; L226-A228 HydrophobicContact CD2-CB 4.3Å; L226-V256 HydrophobicContact CD2-CB 4.23Å; L226-V256 HydrophobicContact CD2-CG1 3.94Å; L226-V256 WeakPolarHBondContact CD2-O 3.39Å; L226-M259 HydrophobicContact CD1-CG 4.25Å; L226-M259 HydrophobicContact CD2-CG 4.17Å; L226-M259 HydrophobicContact CD2-SD 4.05Å |
| 227 | P | 80 | Confident | 65.9 | Low | 73 Ų | 73 | 96 Ų | 96 | 47% | 0.474 | 48% | 0.484 | S | S | . | . | S | Bend | cis | -74.3 | 143.7 | -0.4 | 31.5 | -35 | 0 | 0 | 0 | 112.7 | K225 K255 V256 L257 | K225-P227 CarbonylContact O-C 3.49Å; P227-K255 HydrophobicContact CB-CD 4.43Å; P227-K255 HydrophobicContact CB-CG 3.96Å; P227-V256 WeakPolarHBondContact CA-O 3.5Å; P227-L257 HydrophobicContact CB-CD2 4.12Å |
| 228 | A | 83.8 | Confident | 67.6 | Low | 14 Ų | 14 | 88.5 Ų | 88.5 | 12% | 0.116 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 149.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | L226 K255 V256 F283 | L226-A228 HydrophobicContact CD2-CB 4.3Å; A228-K255 CarbonylContact O-C 3.42Å; A228-V256 PolarHBondContact N-O 2.66Å; A228-V256 WeakPolarHBondContact O-CA 3.44Å; A228-V256 WeakPolarHBondContact O-CB 3.43Å; A228-V256 PolarHBondContact O-N 3.19Å; A228-F283 HydrophobicContact CB-CD1 3.99Å; A228-F283 HydrophobicContact CB-CE1 3.48Å; A228-F283 VanDerWaalsContact CB-CE1 3.48Å; A228-F283 HydrophobicContact CB-CZ 4.4Å |
| 229 | Y | 87.2 | Confident | 69.2 | Low | 139 Ų | 139 | 87.1 Ų | 87.1 | 55% | 0.545 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 131.3 | -178.3 | -67.6 | -82.9 | 0 | 0 | 0 | 111 | M253 V254 K255 F283 | Y229-M253 HydrophobicContact CD1-CG 3.96Å; Y229-M253 HydrophobicContact CG-CG 4.44Å; Y229-V254 CarbonylContact C-O 3.56Å; Y229-V254 WeakPolarHBondContact CA-O 3.43Å; Y229-K255 HydrophobicContact CD1-CB 4.01Å; Y229-K255 HydrophobicContact CD1-CG 4.38Å; Y229-K255 HydrophobicContact CE1-CB 3.77Å; Y229-K255 HydrophobicContact CE1-CD 4.2Å; Y229-K255 HydrophobicContact CE1-CG 3.93Å; Y229-F283 WeakPolarHBondContact O-CD1 3.4Å |
| 230 | A | 86.4 | Confident | 70.1 | Confident | 0 Ų | 0 | 85.1 Ų | 85.1 | 0% | 0 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 133 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | M253 V254 V256 V281 E282 F283 | A230-M253 VanDerWaalsContact C-SD 3.52Å; A230-V254 HydrophobicContact CB-CG1 4.13Å; A230-V254 PolarHBondContact N-O 3.44Å; A230-V254 PolarHBondContact O-N 3.35Å; A230-V256 HydrophobicContact CB-CG2 3.83Å; A230-V281 HydrophobicContact CB-CB 3.83Å; A230-V281 HydrophobicContact CB-CG2 3.91Å; A230-E282 CarbonylContact C-O 3.59Å; A230-E282 VanDerWaalsContact CA-O 3.32Å; A230-E282 WeakPolarHBondContact CA-O 3.28Å; A230-F283 HydrophobicContact CB-CD1 3.82Å; A230-F283 HydrophobicContact CB-CE1 4Å; A230-F283 HydrophobicContact CB-CG 4.18Å |
| 231 | R | 88.7 | Confident | 71.3 | Confident | 115 Ų | 115 | 90.5 Ų | 90.5 | 43% | 0.434 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 132.6 | 176.1 | -175 | 177.1 | -69.9 | -178.6 | -2 | 109.5 | K233 D252 M253 V281 E282 E284 | R231-K233 PolarHBondContact O-N 2.88Å; R231-D252 CarbonylContact C-O 3.38Å; R231-D252 WeakPolarHBondContact CA-O 3.23Å; R231-M253 HydrophobicContact CB-CE 4.16Å; R231-M253 HydrophobicContact CB-SD 4.42Å; R231-V281 CarbonylContact O-C 3.45Å; R231-V281 VanDerWaalsContact O-CA 3.29Å; R231-V281 WeakPolarHBondContact O-CA 3.47Å; R231-E282 PolarHBondContact N-O 3.3Å; R231-E282 PolarHBondContact O-N 3.21Å; R231-E284 HydrophobicContact CB-CG 4.04Å; R231-E284 IonicContact CZ-OE1 2.64Å; R231-E284 IonicContact CZ-OE2 3.21Å; R231-E284 VanDerWaalsContact NE-CD 3.29Å; R231-E284 IonicContact NE-OE1 2.71Å; R231-E284 PolarHBondContact NE-OE1 3.35Å; R231-E284 VanDerWaalsContact NE-OE1 3.16Å; R231-E284 IonicContact NE-OE2 3.17Å; R231-E284 PolarHBondContact NE-OE2 3.4Å; R231-E284 IonicContact NH1-OE1 3.79Å; R231-E284 PolarHBondContact NH1-OE1 3.42Å; R231-E284 IonicContact NH2-OE1 3.2Å; R231-E284 PolarHBondContact NH2-OE1 3.49Å; R231-E284 IonicContact NH2-OE2 3.16Å; R231-E284 PolarHBondContact NH2-OE2 3.15Å |
| 232 | V | 86.9 | Confident | 72.4 | Confident | 2 Ų | 2 | 90.5 Ų | 90.5 | 1% | 0.012 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 119.2 | 174.1 | 176 | 0 | 0 | 0 | 0 | 109.1 | Q234 L248 Q249 V250 G251 D252 Y280 V281 | V232-Q234 WeakPolarHBondContact CG1-O 3.34Å; V232-L248 HydrophobicContact CG1-CB 3.74Å; V232-L248 HydrophobicContact CG1-CD1 4.49Å; V232-L248 HydrophobicContact CG2-CB 4.04Å; V232-L248 HydrophobicContact CG2-CD1 4.4Å; V232-L248 HydrophobicContact CG2-CD2 3.94Å; V232-L248 HydrophobicContact CG2-CG 4.35Å; V232-Q249 WeakPolarHBondContact CB-O 3.38Å; V232-Q249 WeakPolarHBondContact CG1-O 3.31Å; V232-V250 WeakPolarHBondContact O-CA 3.4Å; V232-G251 PolarHBondContact O-N 2.67Å; V232-D252 HydrophobicContact CB-CB 4.16Å; V232-D252 HydrophobicContact CG2-CB 3.81Å; V232-D252 WeakPolarHBondContact CG2-O 3.42Å; V232-D252 PolarHBondContact N-O 3.43Å; V232-Y280 CarbonylContact C-O 3.59Å; V232-Y280 WeakPolarHBondContact CA-O 3.49Å; V232-V281 HydrophobicContact CG2-CG1 4.03Å |
| 233 | K | 84 | Confident | 73.6 | Confident | 85 Ų | 85 | 93 Ų | 93 | 37% | 0.37 | 45% | 0.451 | S | S | . | . | trans | -95 | -20.3 | 174.9 | 63.4 | 177.7 | 178.7 | -174.9 | 0 | 113.2 | R231 T279 Y280 E282 | R231-K233 PolarHBondContact O-N 2.88Å; K233-T279 WeakPolarHBondContact CE-O 3.47Å; K233-Y280 WeakPolarHBondContact CG-O 3.25Å; K233-Y280 PolarHBondContact N-O 3.33Å; K233-E282 HydrophobicContact CD-CB 4.38Å | ||
| 234 | Q | 76.1 | Confident | 75.1 | Confident | 103 Ų | 103 | 86.7 Ų | 86.7 | 48% | 0.481 | 43% | 0.428 | S | S | . | . | S | Bend | trans | -133.7 | 131.1 | 179.9 | -170.7 | 172.4 | 17.6 | 0 | 0 | 110.7 | V232 Y280 | V232-Q234 WeakPolarHBondContact CG1-O 3.34Å; Q234-Y280 HydrophobicContact CB-CD1 3.73Å; Q234-Y280 HydrophobicContact CB-CE1 4.36Å; Q234-Y280 HydrophobicContact CB-CG 4.34Å; Q234-Y280 HydrophobicContact CG-CD1 3.82Å; Q234-Y280 HydrophobicContact CG-CE1 3.94Å; Q234-Y280 PolarHBondContact N-O 2.85Å; Q234-Y280 WeakPolarHBondContact O-CD1 3.42Å |
| 235 | A | 81.1 | Confident | 76.1 | Confident | 57 Ų | 57 | 83.6 Ų | 83.6 | 47% | 0.471 | 42% | 0.419 | S | S | . | . | trans | -71.3 | 144.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111 | L248 V250 | A235-L248 CarbonylContact C-O 3.59Å; A235-L248 VanDerWaalsContact CA-O 3.27Å; A235-L248 WeakPolarHBondContact CA-O 3.45Å; A235-V250 HydrophobicContact CB-CG2 4.1Å | ||
| 236 | R | 79.2 | Confident | 77 | Confident | 37 Ų | 37 | 74.9 Ų | 74.9 | 14% | 0.14 | 38% | 0.381 | C | S | . | . | B | Isolated β-bridge | trans | -141.4 | 127.7 | 176.8 | -172.7 | 174.8 | 176 | -106.2 | 2.4 | 110.2 | D20 R247 L248 Y280 | D20-R236 IonicContact OD2-NH2 2.74Å; R236-R247 WeakPolarHBondContact O-CA 3.33Å; R236-L248 HydrophobicContact CB-CB 4.12Å; R236-L248 HydrophobicContact CB-CD1 4.38Å; R236-L248 HydrophobicContact CB-CG 4.36Å; R236-L248 PolarHBondContact N-O 3.35Å; R236-L248 PolarHBondContact O-N 3.06Å; R236-Y280 HydrophobicContact CB-CD1 3.71Å; R236-Y280 HydrophobicContact CB-CE1 3.69Å; R236-Y280 HydrophobicContact CG-CD1 4.38Å; R236-Y280 HydrophobicContact CG-CE1 3.99Å |
| 237 | I | 77.5 | Confident | 77.6 | Confident | 134 Ų | 134 | 77.9 Ų | 77.9 | 69% | 0.687 | 39% | 0.388 | S | S | * | . | P | Polyproline II helix | trans | -103.2 | 116.7 | 170.8 | -57.5 | 178.2 | 0 | 0 | 0 | 107.5 | ||
| 238 | P | 70.5 | Confident | 77.9 | Confident | 25 Ų | 25 | 74.4 Ų | 74.4 | 16% | 0.162 | 37% | 0.366 | C | S | . | . | P | Polyproline II helix | trans | -58 | 147.2 | 173.6 | -27.2 | 37 | 0 | 0 | 0 | 110.7 | A245 L246 R247 | P238-A245 HydrophobicContact CB-CB 3.75Å; P238-A245 HydrophobicContact CG-CB 4Å; P238-A245 WeakPolarHBondContact CG-O 3.2Å; P238-L246 WeakPolarHBondContact CG-O 3.23Å; P238-R247 VanDerWaalsContact CD-CA 3.46Å; P238-R247 HydrophobicContact CG-CB 3.97Å |
| 239 | N | 68 | Low | 77.9 | Confident | 79 Ų | 79 | 78.1 Ų | 78.1 | 42% | 0.422 | 38% | 0.381 | S | S | . | . | P | Polyproline II helix | trans | -61.4 | 145.4 | 170 | -168.2 | -3.2 | 0 | 0 | 0 | 109.5 | Y241 D242 | N239-Y241 PolarHBondContact O-N 2.8Å; N239-D242 PolarHBondContact O-N 3.37Å |
| 240 | A | 56.9 | Low | 77.7 | Confident | 95 Ų | 95 | 76.2 Ų | 76.2 | 79% | 0.785 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -23.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 241 | Y | 57.5 | Low | 77.5 | Confident | 200 Ų | 200 | 78.4 Ų | 78.4 | 78% | 0.784 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91 | -15.5 | 179.1 | -55.4 | -78.1 | 0 | 0 | 0 | 114 | N239 K243 | N239-Y241 PolarHBondContact O-N 2.8Å; Y241-K243 PolarHBondContact O-N 3.3Å |
| 242 | D | 66.8 | Low | 77.4 | Confident | 61 Ų | 61 | 74.8 Ų | 74.8 | 33% | 0.326 | 40% | 0.395 | S | S | . | . | trans | -93.7 | 90.8 | -178.8 | -172.6 | -3.6 | 0 | 0 | 0 | 110.7 | N239 S244 A245 | N239-D242 PolarHBondContact O-N 3.37Å; D242-S244 PolarHBondContact O-N 3.48Å; D242-S244 WeakPolarHBondContact OD1-CA 3.24Å; D242-S244 WeakPolarHBondContact OD1-CB 3.35Å; D242-S244 PolarHBondContact OD1-N 3.1Å; D242-S244 PolarHBondContact OD1-OG 3.36Å; D242-A245 HydrophobicContact CB-CB 4.23Å; D242-A245 VanDerWaalsContact CG-CB 3.49Å; D242-A245 PolarHBondContact OD1-N 2.8Å; D242-A245 VanDerWaalsContact OD1-N 3.16Å; D242-A245 WeakPolarHBondContact OD2-CB 3.45Å | ||
| 243 | K | 74.4 | Confident | 77.5 | Confident | 209 Ų | 209 | 78.3 Ų | 78.3 | 91% | 0.909 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -13.5 | 176.6 | -62.5 | -177.4 | -178.2 | 177.8 | 0 | 113.2 | Y241 | Y241-K243 PolarHBondContact O-N 3.3Š|
| 244 | S | 77.8 | Confident | 77.7 | Confident | 54 Ų | 54 | 74.2 Ų | 74.2 | 38% | 0.378 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | -15.8 | -175.7 | 80.4 | 0 | 0 | 0 | 0 | 113 | D242 G274 H275 | D242-S244 PolarHBondContact O-N 3.48Å; D242-S244 WeakPolarHBondContact OD1-CA 3.24Å; D242-S244 WeakPolarHBondContact OD1-CB 3.35Å; D242-S244 PolarHBondContact OD1-N 3.1Å; D242-S244 PolarHBondContact OD1-OG 3.36Å; S244-G274 CarbonylContact O-C 3.5Å; S244-G274 WeakPolarHBondContact O-CA 3.47Å; S244-H275 PolarHBondContact O-N 2.84Å |
| 245 | A | 78.8 | Confident | 78.3 | Confident | 14 Ų | 14 | 72 Ų | 72 | 12% | 0.116 | 38% | 0.384 | C | S | . | . | B | Isolated β-bridge | trans | -86 | 137.9 | -177 | 0 | 0 | 0 | 0 | 0 | 113.2 | P238 D242 H275 | P238-A245 HydrophobicContact CB-CB 3.75Å; P238-A245 HydrophobicContact CG-CB 4Å; P238-A245 WeakPolarHBondContact CG-O 3.2Å; D242-A245 HydrophobicContact CB-CB 4.23Å; D242-A245 VanDerWaalsContact CG-CB 3.49Å; D242-A245 PolarHBondContact OD1-N 2.8Å; D242-A245 VanDerWaalsContact OD1-N 3.16Å; D242-A245 WeakPolarHBondContact OD2-CB 3.45Å; A245-H275 CarbonylContact C-O 3.44Å; A245-H275 VanDerWaalsContact CA-O 3.28Å; A245-H275 WeakPolarHBondContact CA-O 3.48Å |
| 246 | L | 82.2 | Confident | 78.7 | Confident | 8 Ų | 8 | 69.3 Ų | 69.3 | 4% | 0.042 | 36% | 0.361 | C | S | . | . | P | Polyproline II helix | trans | -80.3 | 135.7 | 173.1 | -75.3 | -179.8 | 0 | 0 | 0 | 111.9 | P238 L248 V254 G267 L269 K272 H275 F276 | P238-L246 WeakPolarHBondContact CG-O 3.23Å; L246-L248 HydrophobicContact CB-CD2 4.05Å; L246-V254 HydrophobicContact CD1-CG2 4.06Å; L246-G267 VanDerWaalsContact CD1-O 3.22Å; L246-G267 WeakPolarHBondContact CD1-O 3.3Å; L246-L269 HydrophobicContact CD1-CB 4.13Å; L246-L269 HydrophobicContact CD2-CB 4.49Å; L246-K272 HydrophobicContact CD2-CB 3.82Å; L246-K272 WeakPolarHBondContact CD2-O 3.41Å; L246-H275 PolarHBondContact N-O 2.76Å; L246-F276 HydrophobicContact CB-CD1 4.27Å; L246-F276 HydrophobicContact CD1-CD1 3.77Å; L246-F276 HydrophobicContact CD1-CE1 3.97Å; L246-F276 HydrophobicContact CG-CD1 4.44Å |
| 247 | R | 85.2 | Confident | 79 | Confident | 131 Ų | 131 | 69.9 Ų | 69.9 | 49% | 0.494 | 37% | 0.366 | S | S | . | . | P | Polyproline II helix | trans | -78.8 | 121.1 | 166.1 | -176.3 | 176.5 | -175.9 | -105.2 | 2.2 | 108.8 | R236 P238 L269 | R236-R247 WeakPolarHBondContact O-CA 3.33Å; P238-R247 VanDerWaalsContact CD-CA 3.46Å; P238-R247 HydrophobicContact CG-CB 3.97Å; R247-L269 VanDerWaalsContact O-CD2 3.23Å; R247-L269 WeakPolarHBondContact O-CD2 3.26Å |
| 248 | L | 86.1 | Confident | 79.2 | Confident | 1 Ų | 1 | 68.1 Ų | 68.1 | 1% | 0.005 | 35% | 0.354 | C | S | . | . | B | Isolated β-bridge | trans | -111.7 | 134.9 | -177.8 | -55.6 | -177.7 | 0 | 0 | 0 | 109.1 | V232 A235 R236 L246 V254 L269 F276 Y280 V281 | V232-L248 HydrophobicContact CG1-CB 3.74Å; V232-L248 HydrophobicContact CG1-CD1 4.49Å; V232-L248 HydrophobicContact CG2-CB 4.04Å; V232-L248 HydrophobicContact CG2-CD1 4.4Å; V232-L248 HydrophobicContact CG2-CD2 3.94Å; V232-L248 HydrophobicContact CG2-CG 4.35Å; A235-L248 CarbonylContact C-O 3.59Å; A235-L248 VanDerWaalsContact CA-O 3.27Å; A235-L248 WeakPolarHBondContact CA-O 3.45Å; R236-L248 HydrophobicContact CB-CB 4.12Å; R236-L248 HydrophobicContact CB-CD1 4.38Å; R236-L248 HydrophobicContact CB-CG 4.36Å; R236-L248 PolarHBondContact N-O 3.35Å; R236-L248 PolarHBondContact O-N 3.06Å; L246-L248 HydrophobicContact CB-CD2 4.05Å; L248-V254 HydrophobicContact CD2-CG2 4.23Å; L248-L269 HydrophobicContact CD2-CD2 3.96Å; L248-F276 HydrophobicContact CD1-CB 3.73Å; L248-F276 HydrophobicContact CD1-CD2 4.27Å; L248-F276 HydrophobicContact CD1-CG 4.1Å; L248-F276 HydrophobicContact CD2-CB 4.44Å; L248-F276 HydrophobicContact CD2-CG 4.41Å; L248-F276 HydrophobicContact CG-CB 4.33Å; L248-Y280 HydrophobicContact CD1-CG 4.24Å; L248-V281 HydrophobicContact CD1-CG1 4.41Å |
| 249 | Q | 84 | Confident | 79.5 | Confident | 92 Ų | 92 | 70.8 Ų | 70.8 | 43% | 0.43 | 37% | 0.365 | S | S | . | . | trans | -117.4 | 144.1 | 166.6 | -58.8 | -173.2 | -116.7 | 0 | 0 | 109.6 | V232 G251 D252 | V232-Q249 WeakPolarHBondContact CB-O 3.38Å; V232-Q249 WeakPolarHBondContact CG1-O 3.31Å; Q249-G251 PolarHBondContact O-N 2.85Å; Q249-D252 WeakPolarHBondContact CA-OD2 3.42Å; Q249-D252 VanDerWaalsContact CB-OD2 3.32Å; Q249-D252 WeakPolarHBondContact CB-OD2 3.32Å; Q249-D252 PolarHBondContact N-OD2 2.78Å; Q249-D252 WeakPolarHBondContact O-CB 3.42Å; Q249-D252 VanDerWaalsContact O-CG 3.26Å; Q249-D252 PolarHBondContact O-N 3.37Å | ||
| 250 | V | 83.9 | Confident | 79.8 | Confident | 98 Ų | 98 | 71.3 Ų | 71.3 | 59% | 0.594 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | 129.3 | 178.6 | -179.5 | 0 | 0 | 0 | 0 | 109.6 | V232 A235 | V232-V250 WeakPolarHBondContact O-CA 3.4Å; A235-V250 HydrophobicContact CB-CG2 4.1Å |
| 251 | G | 81.8 | Confident | 80.1 | Confident | 47 Ų | 47 | 72.8 Ų | 72.8 | 49% | 0.485 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93.2 | -13.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | V232 Q249 | V232-G251 PolarHBondContact O-N 2.67Å; Q249-G251 PolarHBondContact O-N 2.85Å |
| 252 | D | 87.4 | Confident | 80.4 | Confident | 38 Ų | 38 | 68.3 Ų | 68.3 | 20% | 0.203 | 36% | 0.36 | C | S | . | . | trans | -61.6 | 143.5 | 174.1 | -74.7 | -13.9 | 0 | 0 | 0 | 110.8 | R231 V232 Q249 L269 | R231-D252 CarbonylContact C-O 3.38Å; R231-D252 WeakPolarHBondContact CA-O 3.23Å; V232-D252 HydrophobicContact CB-CB 4.16Å; V232-D252 HydrophobicContact CG2-CB 3.81Å; V232-D252 WeakPolarHBondContact CG2-O 3.42Å; V232-D252 PolarHBondContact N-O 3.43Å; Q249-D252 WeakPolarHBondContact CA-OD2 3.42Å; Q249-D252 VanDerWaalsContact CB-OD2 3.32Å; Q249-D252 WeakPolarHBondContact CB-OD2 3.32Å; Q249-D252 PolarHBondContact N-OD2 2.78Å; Q249-D252 WeakPolarHBondContact O-CB 3.42Å; Q249-D252 VanDerWaalsContact O-CG 3.26Å; Q249-D252 PolarHBondContact O-N 3.37Å; D252-L269 HydrophobicContact CB-CD1 3.91Å; D252-L269 HydrophobicContact CB-CD2 4.11Å | ||
| 253 | M | 87.4 | Confident | 80.6 | Confident | 76 Ų | 76 | 66.1 Ų | 66.1 | 37% | 0.374 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 107.7 | 175 | -168.8 | 61.2 | 70.3 | 0 | 0 | 109.9 | Y229 A230 R231 L269 E284 | Y229-M253 HydrophobicContact CD1-CG 3.96Å; Y229-M253 HydrophobicContact CG-CG 4.44Å; A230-M253 VanDerWaalsContact C-SD 3.52Å; R231-M253 HydrophobicContact CB-CE 4.16Å; R231-M253 HydrophobicContact CB-SD 4.42Å; M253-L269 VanDerWaalsContact O-CD1 3.23Å; M253-L269 WeakPolarHBondContact O-CD1 3.21Å; M253-E284 WeakPolarHBondContact CE-OE2 3.41Å |
| 254 | V | 88.5 | Confident | 80.8 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 135.9 | 177.6 | 102.5 | 0 | 0 | 0 | 0 | 109.3 | Y229 A230 L246 L248 V256 L269 F276 V281 | Y229-V254 CarbonylContact C-O 3.56Å; Y229-V254 WeakPolarHBondContact CA-O 3.43Å; A230-V254 HydrophobicContact CB-CG1 4.13Å; A230-V254 PolarHBondContact N-O 3.44Å; A230-V254 PolarHBondContact O-N 3.35Å; L246-V254 HydrophobicContact CD1-CG2 4.06Å; L248-V254 HydrophobicContact CD2-CG2 4.23Å; V254-V256 HydrophobicContact CG1-CG2 3.77Å; V254-L269 HydrophobicContact CG2-CB 3.88Å; V254-F276 HydrophobicContact CB-CZ 4.39Å; V254-F276 HydrophobicContact CG1-CE1 4.07Å; V254-F276 HydrophobicContact CG1-CE2 4Å; V254-F276 HydrophobicContact CG1-CZ 3.46Å; V254-F276 VanDerWaalsContact CG1-CZ 3.46Å; V254-F276 HydrophobicContact CG2-CD1 4.35Å; V254-F276 HydrophobicContact CG2-CE1 3.75Å; V254-F276 HydrophobicContact CG2-CZ 4.02Å; V254-V281 HydrophobicContact CG1-CG1 4.09Å |
| 255 | K | 89.8 | Confident | 81.2 | Confident | 57 Ų | 57 | 57.2 Ų | 57.2 | 25% | 0.248 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 101.4 | 169.7 | -178.5 | -176.9 | 173.3 | -166.8 | 0 | 108.7 | P227 A228 Y229 L257 G267 E268 | P227-K255 HydrophobicContact CB-CD 4.43Å; P227-K255 HydrophobicContact CB-CG 3.96Å; A228-K255 CarbonylContact O-C 3.42Å; Y229-K255 HydrophobicContact CD1-CB 4.01Å; Y229-K255 HydrophobicContact CD1-CG 4.38Å; Y229-K255 HydrophobicContact CE1-CB 3.77Å; Y229-K255 HydrophobicContact CE1-CD 4.2Å; Y229-K255 HydrophobicContact CE1-CG 3.93Å; K255-L257 HydrophobicContact CD-CD2 4.37Å; K255-L257 HydrophobicContact CG-CD2 4.28Å; K255-L257 PolarHBondContact O-N 2.83Å; K255-G267 CarbonylContact O-C 3.59Å; K255-G267 WeakPolarHBondContact O-CA 3.11Å; K255-E268 HydrophobicContact CB-CB 4.27Å; K255-E268 PolarHBondContact N-O 2.59Å; K255-E268 IonicContact NZ-OE2 3.54Å; K255-E268 PolarHBondContact O-N 3.19Å |
| 256 | V | 88 | Confident | 81.5 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 119 | 177.6 | -171.1 | 0 | 0 | 0 | 0 | 109.1 | L226 P227 A228 A230 V254 M259 W265 F276 F283 | L226-V256 HydrophobicContact CD2-CB 4.23Å; L226-V256 HydrophobicContact CD2-CG1 3.94Å; L226-V256 WeakPolarHBondContact CD2-O 3.39Å; P227-V256 WeakPolarHBondContact CA-O 3.5Å; A228-V256 PolarHBondContact N-O 2.66Å; A228-V256 WeakPolarHBondContact O-CA 3.44Å; A228-V256 WeakPolarHBondContact O-CB 3.43Å; A228-V256 PolarHBondContact O-N 3.19Å; A230-V256 HydrophobicContact CB-CG2 3.83Å; V254-V256 HydrophobicContact CG1-CG2 3.77Å; V256-M259 HydrophobicContact CG1-CG 3.77Å; V256-W265 HydrophobicContact CG1-CB 4.33Å; V256-W265 HydrophobicContact CG1-CD2 4.36Å; V256-W265 HydrophobicContact CG1-CE3 3.95Å; V256-W265 HydrophobicContact CG2-CE3 4.17Å; V256-F276 HydrophobicContact CG2-CZ 4.23Å; V256-F283 HydrophobicContact CB-CE1 4.11Å; V256-F283 HydrophobicContact CB-CZ 4.19Å; V256-F283 HydrophobicContact CG1-CZ 4.28Å; V256-F283 HydrophobicContact CG2-CE1 3.7Å; V256-F283 HydrophobicContact CG2-CZ 3.85Å |
| 257 | L | 85.8 | Confident | 81.9 | Confident | 48 Ų | 48 | 57.4 Ų | 57.4 | 25% | 0.251 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | -42.9 | -178.7 | -62.7 | 178.9 | 0 | 0 | 0 | 111.8 | P227 K255 E266 E268 V273 | P227-L257 HydrophobicContact CB-CD2 4.12Å; K255-L257 HydrophobicContact CD-CD2 4.37Å; K255-L257 HydrophobicContact CG-CD2 4.28Å; K255-L257 PolarHBondContact O-N 2.83Å; L257-E266 PolarHBondContact N-O 3.24Å; L257-E268 HydrophobicContact CD1-CB 4.29Å; L257-V273 HydrophobicContact CD1-CG1 4.1Å; L257-V273 HydrophobicContact CD1-CG2 4.33Å |
| 258 | K | 82.2 | Confident | 82.1 | Confident | 97 Ų | 97 | 54.3 Ų | 54.3 | 42% | 0.422 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 141.6 | 177.4 | -60.4 | 178.2 | -164.9 | 126.8 | 0 | 110.8 | Y260 W265 E266 | K258-Y260 HydrophobicContact CB-CE1 4.49Å; K258-Y260 HydrophobicContact CD-CE1 4.34Å; K258-Y260 WeakPolarHBondContact CD-OH 3.26Å; K258-W265 WeakPolarHBondContact O-CA 3.4Å; K258-E266 HydrophobicContact CB-CB 4.03Å; K258-E266 PolarHBondContact N-O 3.03Å; K258-E266 IonicContact NZ-OE1 2.78Å; K258-E266 PolarHBondContact NZ-OE1 2.87Å; K258-E266 IonicContact NZ-OE2 3.72Å; K258-E266 PolarHBondContact NZ-OE2 3.45Å; K258-E266 VanDerWaalsContact NZ-OE2 3.15Å; K258-E266 PolarHBondContact O-N 3.35Å |
| 259 | M | 77.1 | Confident | 82.2 | Confident | 82 Ų | 82 | 54.7 Ų | 54.7 | 40% | 0.404 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 109.5 | 175.5 | -64.6 | 171.7 | 61 | 0 | 0 | 108.3 | L226 V256 W265 F283 | L226-M259 HydrophobicContact CD1-CG 4.25Å; L226-M259 HydrophobicContact CD2-CG 4.17Å; L226-M259 HydrophobicContact CD2-SD 4.05Å; V256-M259 HydrophobicContact CG1-CG 3.77Å; M259-W265 HydrophobicContact CB-CD2 4.42Å; M259-W265 HydrophobicContact CB-CG 4.33Å; M259-W265 HydrophobicContact CE-CD2 4.5Å; M259-W265 HydrophobicContact CE-CH2 3.78Å; M259-W265 HydrophobicContact CE-CZ2 3.32Å; M259-W265 HydrophobicContact CE-CZ3 4.49Å; M259-W265 HydrophobicContact CG-CD2 3.87Å; M259-W265 HydrophobicContact CG-CE3 4.37Å; M259-W265 HydrophobicContact CG-CG 4.12Å; M259-W265 HydrophobicContact CG-CZ2 4.39Å; M259-W265 HydrophobicContact SD-CZ2 4.47Å; M259-F283 HydrophobicContact CE-CE2 4.25Å; M259-F283 HydrophobicContact SD-CE2 4.3Å; M259-F283 HydrophobicContact SD-CZ 3.98Å |
| 260 | Y | 73.5 | Confident | 82.3 | Confident | 89 Ų | 89 | 57.2 Ų | 57.2 | 35% | 0.349 | 32% | 0.318 | S | S | . | . | trans | -86.7 | 146 | 173.8 | -55.2 | -68.3 | 0 | 0 | 0 | 110.5 | K258 T262 G263 T264 E266 H275 | K258-Y260 HydrophobicContact CB-CE1 4.49Å; K258-Y260 HydrophobicContact CD-CE1 4.34Å; K258-Y260 WeakPolarHBondContact CD-OH 3.26Å; Y260-T262 WeakPolarHBondContact CB-OG1 3.5Å; Y260-T262 PolarHBondContact O-N 2.87Å; Y260-G263 PolarHBondContact O-N 2.82Å; Y260-T264 VanDerWaalsContact CB-O 3.29Å; Y260-T264 WeakPolarHBondContact CB-O 3.27Å; Y260-T264 WeakPolarHBondContact CD2-O 3.46Å; Y260-E266 HydrophobicContact CE2-CB 3.99Å; Y260-E266 PolarHBondContact OH-OE2 3.14Å; Y260-H275 AromaticContact CE2-NE2 3.92Å | ||
| 261 | S | 63.8 | Low | 82.2 | Confident | 127 Ų | 127 | 55.6 Ų | 55.6 | 89% | 0.888 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -15.8 | 176.4 | 52.7 | 0 | 0 | 0 | 0 | 113.3 | G263 | S261-G263 PolarHBondContact O-N 2.88Š|
| 262 | T | 64.2 | Low | 82.3 | Confident | 105 Ų | 105 | 60.7 Ų | 60.7 | 64% | 0.644 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -16.1 | 175.4 | 58.4 | 0 | 0 | 0 | 0 | 113.2 | Y260 T264 | Y260-T262 WeakPolarHBondContact CB-OG1 3.5Å; Y260-T262 PolarHBondContact O-N 2.87Å; T262-T264 VanDerWaalsContact C-N 3.34Å; T262-T264 PolarHBondContact OG1-N 3.25Å |
| 263 | G | 70.8 | Confident | 82.3 | Confident | 15 Ų | 15 | 63 Ų | 63 | 16% | 0.155 | 35% | 0.345 | C | S | . | . | S | Bend | trans | 90.3 | -8.2 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y260 S261 P277 F278 | Y260-G263 PolarHBondContact O-N 2.82Å; S261-G263 PolarHBondContact O-N 2.88Å; G263-P277 WeakPolarHBondContact O-CA 3.33Å; G263-F278 VanDerWaalsContact O-CD1 3.24Å; G263-F278 WeakPolarHBondContact O-CD1 3.41Å; G263-F278 PolarHBondContact O-N 2.87Å |
| 264 | T | 77.9 | Confident | 82.3 | Confident | 47 Ų | 47 | 59.6 Ų | 59.6 | 29% | 0.288 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 124.5 | 167.7 | -55.2 | 0 | 0 | 0 | 0 | 107.8 | Y260 T262 H275 F276 | Y260-T264 VanDerWaalsContact CB-O 3.29Å; Y260-T264 WeakPolarHBondContact CB-O 3.27Å; Y260-T264 WeakPolarHBondContact CD2-O 3.46Å; T262-T264 VanDerWaalsContact C-N 3.34Å; T262-T264 PolarHBondContact OG1-N 3.25Å; T264-H275 HydrophobicContact CG2-CB 3.63Å; T264-F276 CarbonylContact C-O 3.59Å |
| 265 | W | 86.3 | Confident | 82.1 | Confident | 29 Ų | 29 | 62.4 Ų | 62.4 | 11% | 0.11 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 149.8 | 175.7 | -66.5 | -4.4 | 0 | 0 | 0 | 110.1 | V256 K258 M259 H275 F276 F278 V281 F283 | V256-W265 HydrophobicContact CG1-CB 4.33Å; V256-W265 HydrophobicContact CG1-CD2 4.36Å; V256-W265 HydrophobicContact CG1-CE3 3.95Å; V256-W265 HydrophobicContact CG2-CE3 4.17Å; K258-W265 WeakPolarHBondContact O-CA 3.4Å; M259-W265 HydrophobicContact CB-CD2 4.42Å; M259-W265 HydrophobicContact CB-CG 4.33Å; M259-W265 HydrophobicContact CE-CD2 4.5Å; M259-W265 HydrophobicContact CE-CH2 3.78Å; M259-W265 HydrophobicContact CE-CZ2 3.32Å; M259-W265 HydrophobicContact CE-CZ3 4.49Å; M259-W265 HydrophobicContact CG-CD2 3.87Å; M259-W265 HydrophobicContact CG-CE3 4.37Å; M259-W265 HydrophobicContact CG-CG 4.12Å; M259-W265 HydrophobicContact CG-CZ2 4.39Å; M259-W265 HydrophobicContact SD-CZ2 4.47Å; W265-H275 CarbonylContact O-C 3.59Å; W265-H275 VanDerWaalsContact O-CA 3.27Å; W265-H275 WeakPolarHBondContact O-CA 3.32Å; W265-F276 HydrophobicContact CB-CE2 4Å; W265-F276 HydrophobicContact CB-CZ 4.07Å; W265-F276 HydrophobicContact CE3-CE2 4.27Å; W265-F276 PolarHBondContact N-O 3.31Å; W265-F276 PolarHBondContact O-N 3.34Å; W265-F278 HydrophobicContact CD2-CB 3.39Å; W265-F278 HydrophobicContact CE3-CB 3.75Å; W265-F278 HydrophobicContact CG-CB 3.94Å; W265-F278 HydrophobicContact CH2-CB 3.66Å; W265-F278 HydrophobicContact CH2-CD2 4.22Å; W265-F278 HydrophobicContact CH2-CG 4.34Å; W265-F278 HydrophobicContact CZ2-CB 3.33Å; W265-F278 AromaticContact CZ2-CD2 4Å; W265-F278 HydrophobicContact CZ2-CD2 4Å; W265-F278 AromaticContact CZ2-CG 3.87Å; W265-F278 HydrophobicContact CZ2-CG 3.87Å; W265-F278 HydrophobicContact CZ3-CB 3.87Å; W265-V281 HydrophobicContact CE3-CG2 3.93Å; W265-V281 HydrophobicContact CZ3-CG2 3.72Å; W265-F283 HydrophobicContact CE3-CE2 4.36Å; W265-F283 HydrophobicContact CE3-CZ 4.29Å; W265-F283 HydrophobicContact CH2-CD2 4.25Å; W265-F283 AromaticContact CH2-CE2 3.41Å; W265-F283 HydrophobicContact CH2-CE2 3.41Å; W265-F283 VanDerWaalsContact CH2-CE2 3.41Å; W265-F283 HydrophobicContact CH2-CZ 4.11Å; W265-F283 HydrophobicContact CZ2-CE2 4.48Å; W265-F283 HydrophobicContact CZ3-CD2 4.2Å; W265-F283 AromaticContact CZ3-CE2 3.32Å; W265-F283 HydrophobicContact CZ3-CE2 3.32Å; W265-F283 AromaticContact CZ3-CZ 3.63Å; W265-F283 HydrophobicContact CZ3-CZ 3.63Å |
| 266 | E | 85.9 | Confident | 81.7 | Confident | 27 Ų | 27 | 59.7 Ų | 59.7 | 13% | 0.126 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 130 | 171.4 | -172.9 | -179.2 | 114.1 | 0 | 0 | 107.7 | L257 K258 Y260 V273 G274 H275 | L257-E266 PolarHBondContact N-O 3.24Å; K258-E266 HydrophobicContact CB-CB 4.03Å; K258-E266 PolarHBondContact N-O 3.03Å; K258-E266 IonicContact NZ-OE1 2.78Å; K258-E266 PolarHBondContact NZ-OE1 2.87Å; K258-E266 IonicContact NZ-OE2 3.72Å; K258-E266 PolarHBondContact NZ-OE2 3.45Å; K258-E266 VanDerWaalsContact NZ-OE2 3.15Å; K258-E266 PolarHBondContact O-N 3.35Å; Y260-E266 HydrophobicContact CE2-CB 3.99Å; Y260-E266 PolarHBondContact OH-OE2 3.14Å; E266-V273 HydrophobicContact CG-CG1 4.21Å; E266-G274 WeakPolarHBondContact CA-O 3.42Å; E266-H275 IonicContact OE2-NE2 2.99Å |
| 267 | G | 89.7 | Confident | 81.2 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 178.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | L246 K255 V273 G274 | L246-G267 VanDerWaalsContact CD1-O 3.22Å; L246-G267 WeakPolarHBondContact CD1-O 3.3Å; K255-G267 CarbonylContact O-C 3.59Å; K255-G267 WeakPolarHBondContact O-CA 3.11Å; G267-V273 WeakPolarHBondContact O-CA 3.39Å; G267-G274 PolarHBondContact N-O 3.45Å; G267-G274 PolarHBondContact O-N 3.12Å |
| 268 | E | 90.5 | Very high | 81 | Confident | 65 Ų | 65 | 60.5 Ų | 60.5 | 30% | 0.304 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 128.8 | -178.2 | -174.1 | -168.9 | 163.7 | 0 | 0 | 109 | K255 L257 K272 V273 | K255-E268 HydrophobicContact CB-CB 4.27Å; K255-E268 PolarHBondContact N-O 2.59Å; K255-E268 IonicContact NZ-OE2 3.54Å; K255-E268 PolarHBondContact O-N 3.19Å; L257-E268 HydrophobicContact CD1-CB 4.29Å; E268-K272 CarbonylContact C-O 3.56Å; E268-K272 VanDerWaalsContact CA-O 3.3Å; E268-K272 WeakPolarHBondContact CA-O 3.42Å; E268-V273 HydrophobicContact CB-CG2 4.22Å; E268-V273 HydrophobicContact CG-CG2 4.12Å |
| 269 | L | 88.2 | Confident | 80.7 | Confident | 10 Ų | 10 | 58 Ų | 58 | 5% | 0.052 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 125.9 | 175.1 | -177 | 63.4 | 0 | 0 | 0 | 109.5 | L246 R247 L248 D252 M253 V254 G271 K272 | L246-L269 HydrophobicContact CD1-CB 4.13Å; L246-L269 HydrophobicContact CD2-CB 4.49Å; R247-L269 VanDerWaalsContact O-CD2 3.23Å; R247-L269 WeakPolarHBondContact O-CD2 3.26Å; L248-L269 HydrophobicContact CD2-CD2 3.96Å; D252-L269 HydrophobicContact CB-CD1 3.91Å; D252-L269 HydrophobicContact CB-CD2 4.11Å; M253-L269 VanDerWaalsContact O-CD1 3.23Å; M253-L269 WeakPolarHBondContact O-CD1 3.21Å; V254-L269 HydrophobicContact CG2-CB 3.88Å; L269-G271 PolarHBondContact O-N 3.34Å; L269-K272 PolarHBondContact N-O 2.95Å; L269-K272 PolarHBondContact O-N 2.74Å |
| 270 | N | 84.7 | Confident | 80.9 | Confident | 145 Ų | 145 | 56 Ų | 56 | 78% | 0.775 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.8 | 40.2 | 179.9 | -61.3 | -32.9 | 0 | 0 | 0 | 113 | K272 | N270-K272 PolarHBondContact O-N 2.84Š|
| 271 | G | 82.1 | Confident | 81.4 | Confident | 63 Ų | 63 | 52.1 Ų | 52.1 | 65% | 0.649 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.4 | 0.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | L269 | L269-G271 PolarHBondContact O-N 3.34Š|
| 272 | K | 84.7 | Confident | 82.3 | Confident | 154 Ų | 154 | 51.8 Ų | 51.8 | 67% | 0.67 | 28% | 0.284 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95 | 130 | 171.6 | -67.1 | -174.4 | 178.8 | -178.7 | 0 | 109.4 | L246 E268 L269 N270 | L246-K272 HydrophobicContact CD2-CB 3.82Å; L246-K272 WeakPolarHBondContact CD2-O 3.41Å; E268-K272 CarbonylContact C-O 3.56Å; E268-K272 VanDerWaalsContact CA-O 3.3Å; E268-K272 WeakPolarHBondContact CA-O 3.42Å; L269-K272 PolarHBondContact N-O 2.95Å; L269-K272 PolarHBondContact O-N 2.74Å; N270-K272 PolarHBondContact O-N 2.84Å |
| 273 | V | 87.8 | Confident | 83.2 | Confident | 87 Ų | 87 | 48 Ų | 48 | 53% | 0.527 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 135.9 | 170.1 | 179 | 0 | 0 | 0 | 0 | 108.6 | L257 E266 G267 E268 | L257-V273 HydrophobicContact CD1-CG1 4.1Å; L257-V273 HydrophobicContact CD1-CG2 4.33Å; E266-V273 HydrophobicContact CG-CG1 4.21Å; G267-V273 WeakPolarHBondContact O-CA 3.39Å; E268-V273 HydrophobicContact CB-CG2 4.22Å; E268-V273 HydrophobicContact CG-CG2 4.12Å |
| 274 | G | 86.2 | Confident | 83.3 | Confident | 4 Ų | 4 | 51.4 Ų | 51.4 | 4% | 0.041 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -175.7 | -172 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | S244 E266 G267 | S244-G274 CarbonylContact O-C 3.5Å; S244-G274 WeakPolarHBondContact O-CA 3.47Å; E266-G274 WeakPolarHBondContact CA-O 3.42Å; G267-G274 PolarHBondContact N-O 3.45Å; G267-G274 PolarHBondContact O-N 3.12Å |
| 275 | H | 84 | Confident | 82.3 | Confident | 59 Ų | 59 | 54.1 Ų | 54.1 | 27% | 0.273 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 141.6 | -172 | -63.9 | 95.1 | 0 | 0 | 0 | 111 | S244 A245 L246 Y260 T264 W265 E266 | S244-H275 PolarHBondContact O-N 2.84Å; A245-H275 CarbonylContact C-O 3.44Å; A245-H275 VanDerWaalsContact CA-O 3.28Å; A245-H275 WeakPolarHBondContact CA-O 3.48Å; L246-H275 PolarHBondContact N-O 2.76Å; Y260-H275 AromaticContact CE2-NE2 3.92Å; T264-H275 HydrophobicContact CG2-CB 3.63Å; W265-H275 CarbonylContact O-C 3.59Å; W265-H275 VanDerWaalsContact O-CA 3.27Å; W265-H275 WeakPolarHBondContact O-CA 3.32Å; E266-H275 IonicContact OE2-NE2 2.99Å |
| 276 | F | 82 | Confident | 80.6 | Confident | 1 Ų | 1 | 59 Ų | 59 | 0% | 0.004 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 150.1 | 171.5 | 53.6 | -84.8 | 0 | 0 | 0 | 109.9 | L246 L248 V254 V256 T264 W265 F278 V281 | L246-F276 HydrophobicContact CB-CD1 4.27Å; L246-F276 HydrophobicContact CD1-CD1 3.77Å; L246-F276 HydrophobicContact CD1-CE1 3.97Å; L246-F276 HydrophobicContact CG-CD1 4.44Å; L248-F276 HydrophobicContact CD1-CB 3.73Å; L248-F276 HydrophobicContact CD1-CD2 4.27Å; L248-F276 HydrophobicContact CD1-CG 4.1Å; L248-F276 HydrophobicContact CD2-CB 4.44Å; L248-F276 HydrophobicContact CD2-CG 4.41Å; L248-F276 HydrophobicContact CG-CB 4.33Å; V254-F276 HydrophobicContact CB-CZ 4.39Å; V254-F276 HydrophobicContact CG1-CE1 4.07Å; V254-F276 HydrophobicContact CG1-CE2 4Å; V254-F276 HydrophobicContact CG1-CZ 3.46Å; V254-F276 VanDerWaalsContact CG1-CZ 3.46Å; V254-F276 HydrophobicContact CG2-CD1 4.35Å; V254-F276 HydrophobicContact CG2-CE1 3.75Å; V254-F276 HydrophobicContact CG2-CZ 4.02Å; V256-F276 HydrophobicContact CG2-CZ 4.23Å; T264-F276 CarbonylContact C-O 3.59Å; W265-F276 HydrophobicContact CB-CE2 4Å; W265-F276 HydrophobicContact CB-CZ 4.07Å; W265-F276 HydrophobicContact CE3-CE2 4.27Å; W265-F276 PolarHBondContact N-O 3.31Å; W265-F276 PolarHBondContact O-N 3.34Å; F276-F278 PolarHBondContact O-N 2.76Å; F276-V281 HydrophobicContact CD2-CG1 3.89Å; F276-V281 HydrophobicContact CD2-CG2 4.36Å; F276-V281 HydrophobicContact CE2-CB 4.38Å; F276-V281 HydrophobicContact CE2-CG1 3.69Å; F276-V281 HydrophobicContact CE2-CG2 3.73Å |
| 277 | P | 78.4 | Confident | 78.4 | Confident | 16 Ų | 16 | 63.5 Ų | 63.5 | 10% | 0.104 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 135.3 | 173.3 | -12.7 | 28.1 | 0 | 0 | 0 | 109.4 | G263 T279 Y280 | G263-P277 WeakPolarHBondContact O-CA 3.33Å; P277-T279 PolarHBondContact O-N 2.84Å; P277-Y280 HydrophobicContact CB-CD2 3.72Å; P277-Y280 HydrophobicContact CB-CE2 3.8Å; P277-Y280 HydrophobicContact CG-CD2 3.84Å; P277-Y280 HydrophobicContact CG-CE2 3.64Å; P277-Y280 PolarHBondContact O-N 2.85Å; P277-Y280 VanDerWaalsContact O-N 3.16Å |
| 278 | F | 80.6 | Confident | 75.8 | Confident | 48 Ų | 48 | 68.3 Ų | 68.3 | 21% | 0.211 | 37% | 0.373 | C | S | . | . | G | 310 helix | trans | -58.1 | -24.7 | -178.9 | 82.7 | -84.7 | 0 | 0 | 0 | 113.3 | S169 G263 W265 F276 Y280 V281 | S169-F278 VanDerWaalsContact O-CE2 3.26Å; S169-F278 WeakPolarHBondContact O-CE2 3.19Å; G263-F278 VanDerWaalsContact O-CD1 3.24Å; G263-F278 WeakPolarHBondContact O-CD1 3.41Å; G263-F278 PolarHBondContact O-N 2.87Å; W265-F278 HydrophobicContact CD2-CB 3.39Å; W265-F278 HydrophobicContact CE3-CB 3.75Å; W265-F278 HydrophobicContact CG-CB 3.94Å; W265-F278 HydrophobicContact CH2-CB 3.66Å; W265-F278 HydrophobicContact CH2-CD2 4.22Å; W265-F278 HydrophobicContact CH2-CG 4.34Å; W265-F278 HydrophobicContact CZ2-CB 3.33Å; W265-F278 AromaticContact CZ2-CD2 4Å; W265-F278 HydrophobicContact CZ2-CD2 4Å; W265-F278 AromaticContact CZ2-CG 3.87Å; W265-F278 HydrophobicContact CZ2-CG 3.87Å; W265-F278 HydrophobicContact CZ3-CB 3.87Å; F276-F278 PolarHBondContact O-N 2.76Å; F278-Y280 PolarHBondContact O-N 2.82Å; F278-Y280 VanDerWaalsContact O-N 3.12Å; F278-V281 WeakPolarHBondContact O-CG2 2.97Å; F278-V281 PolarHBondContact O-N 3.17Å; F278-V281 VanDerWaalsContact O-N 3.13Å |
| 279 | T | 76.9 | Confident | 73.5 | Confident | 45 Ų | 45 | 72.6 Ų | 72.6 | 28% | 0.276 | 40% | 0.398 | S | S | . | . | G | 310 helix | trans | -61.9 | -17.6 | -179.5 | 52.9 | 0 | 0 | 0 | 0 | 113.4 | K233 P277 | K233-T279 WeakPolarHBondContact CE-O 3.47Å; P277-T279 PolarHBondContact O-N 2.84Å |
| 280 | Y | 80.2 | Confident | 71.1 | Confident | 41 Ų | 41 | 79.7 Ų | 79.7 | 16% | 0.161 | 44% | 0.436 | C | S | . | . | G | 310 helix | trans | -90.1 | -6.8 | -179.5 | -68.2 | -107.3 | 0 | 0 | 0 | 113 | V232 K233 Q234 R236 L248 P277 F278 | V232-Y280 CarbonylContact C-O 3.59Å; V232-Y280 WeakPolarHBondContact CA-O 3.49Å; K233-Y280 WeakPolarHBondContact CG-O 3.25Å; K233-Y280 PolarHBondContact N-O 3.33Å; Q234-Y280 HydrophobicContact CB-CD1 3.73Å; Q234-Y280 HydrophobicContact CB-CE1 4.36Å; Q234-Y280 HydrophobicContact CB-CG 4.34Å; Q234-Y280 HydrophobicContact CG-CD1 3.82Å; Q234-Y280 HydrophobicContact CG-CE1 3.94Å; Q234-Y280 PolarHBondContact N-O 2.85Å; Q234-Y280 WeakPolarHBondContact O-CD1 3.42Å; R236-Y280 HydrophobicContact CB-CD1 3.71Å; R236-Y280 HydrophobicContact CB-CE1 3.69Å; R236-Y280 HydrophobicContact CG-CD1 4.38Å; R236-Y280 HydrophobicContact CG-CE1 3.99Å; L248-Y280 HydrophobicContact CD1-CG 4.24Å; P277-Y280 HydrophobicContact CB-CD2 3.72Å; P277-Y280 HydrophobicContact CB-CE2 3.8Å; P277-Y280 HydrophobicContact CG-CD2 3.84Å; P277-Y280 HydrophobicContact CG-CE2 3.64Å; P277-Y280 PolarHBondContact O-N 2.85Å; P277-Y280 VanDerWaalsContact O-N 3.16Å; F278-Y280 PolarHBondContact O-N 2.82Å; F278-Y280 VanDerWaalsContact O-N 3.12Å |
| 281 | V | 84.8 | Confident | 68.8 | Low | 7 Ų | 7 | 76.8 Ų | 76.8 | 4% | 0.042 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 158.7 | -176.2 | -56 | 0 | 0 | 0 | 0 | 112 | A230 R231 V232 L248 V254 W265 F276 F278 | A230-V281 HydrophobicContact CB-CB 3.83Å; A230-V281 HydrophobicContact CB-CG2 3.91Å; R231-V281 CarbonylContact O-C 3.45Å; R231-V281 VanDerWaalsContact O-CA 3.29Å; R231-V281 WeakPolarHBondContact O-CA 3.47Å; V232-V281 HydrophobicContact CG2-CG1 4.03Å; L248-V281 HydrophobicContact CD1-CG1 4.41Å; V254-V281 HydrophobicContact CG1-CG1 4.09Å; W265-V281 HydrophobicContact CE3-CG2 3.93Å; W265-V281 HydrophobicContact CZ3-CG2 3.72Å; F276-V281 HydrophobicContact CD2-CG1 3.89Å; F276-V281 HydrophobicContact CD2-CG2 4.36Å; F276-V281 HydrophobicContact CE2-CB 4.38Å; F276-V281 HydrophobicContact CE2-CG1 3.69Å; F276-V281 HydrophobicContact CE2-CG2 3.73Å; F278-V281 WeakPolarHBondContact O-CG2 2.97Å; F278-V281 PolarHBondContact O-N 3.17Å; F278-V281 VanDerWaalsContact O-N 3.13Å |
| 282 | E | 83.5 | Confident | 66.8 | Low | 120 Ų | 120 | 80.8 Ų | 80.8 | 56% | 0.561 | 44% | 0.443 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -138 | 127.9 | 174.6 | -177.6 | 165.8 | -155.4 | 0 | 0 | 108.5 | A230 R231 K233 E284 | A230-E282 CarbonylContact C-O 3.59Å; A230-E282 VanDerWaalsContact CA-O 3.32Å; A230-E282 WeakPolarHBondContact CA-O 3.28Å; R231-E282 PolarHBondContact N-O 3.3Å; R231-E282 PolarHBondContact O-N 3.21Å; K233-E282 HydrophobicContact CD-CB 4.38Å; E282-E284 PolarHBondContact O-N 3.49Å |
| 283 | F | 82.8 | Confident | 64.5 | Low | 24 Ų | 24 | 84.6 Ų | 84.6 | 11% | 0.105 | 47% | 0.471 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 127.6 | 175.1 | -72.4 | -76.6 | 0 | 0 | 0 | 109.1 | R224 A228 Y229 A230 V256 M259 W265 D285 | R224-F283 VanDerWaalsContact NH1-CG 3.31Å; A228-F283 HydrophobicContact CB-CD1 3.99Å; A228-F283 HydrophobicContact CB-CE1 3.48Å; A228-F283 VanDerWaalsContact CB-CE1 3.48Å; A228-F283 HydrophobicContact CB-CZ 4.4Å; Y229-F283 WeakPolarHBondContact O-CD1 3.4Å; A230-F283 HydrophobicContact CB-CD1 3.82Å; A230-F283 HydrophobicContact CB-CE1 4Å; A230-F283 HydrophobicContact CB-CG 4.18Å; V256-F283 HydrophobicContact CB-CE1 4.11Å; V256-F283 HydrophobicContact CB-CZ 4.19Å; V256-F283 HydrophobicContact CG1-CZ 4.28Å; V256-F283 HydrophobicContact CG2-CE1 3.7Å; V256-F283 HydrophobicContact CG2-CZ 3.85Å; M259-F283 HydrophobicContact CE-CE2 4.25Å; M259-F283 HydrophobicContact SD-CE2 4.3Å; M259-F283 HydrophobicContact SD-CZ 3.98Å; W265-F283 HydrophobicContact CE3-CE2 4.36Å; W265-F283 HydrophobicContact CE3-CZ 4.29Å; W265-F283 HydrophobicContact CH2-CD2 4.25Å; W265-F283 AromaticContact CH2-CE2 3.41Å; W265-F283 HydrophobicContact CH2-CE2 3.41Å; W265-F283 VanDerWaalsContact CH2-CE2 3.41Å; W265-F283 HydrophobicContact CH2-CZ 4.11Å; W265-F283 HydrophobicContact CZ2-CE2 4.48Å; W265-F283 HydrophobicContact CZ3-CD2 4.2Å; W265-F283 AromaticContact CZ3-CE2 3.32Å; W265-F283 HydrophobicContact CZ3-CE2 3.32Å; W265-F283 AromaticContact CZ3-CZ 3.63Å; W265-F283 HydrophobicContact CZ3-CZ 3.63Å; F283-D285 PolarHBondContact O-N 2.79Å |
| 284 | E | 71.4 | Confident | 63.4 | Low | 88 Ų | 88 | 84.5 Ų | 84.5 | 41% | 0.411 | 47% | 0.468 | S | S | . | . | trans | -80 | 118.9 | 168.1 | -63.3 | -155.1 | 116.1 | 0 | 0 | 108.7 | R231 M253 E282 D286 | R231-E284 HydrophobicContact CB-CG 4.04Å; R231-E284 IonicContact CZ-OE1 2.64Å; R231-E284 IonicContact CZ-OE2 3.21Å; R231-E284 VanDerWaalsContact NE-CD 3.29Å; R231-E284 IonicContact NE-OE1 2.71Å; R231-E284 PolarHBondContact NE-OE1 3.35Å; R231-E284 VanDerWaalsContact NE-OE1 3.16Å; R231-E284 IonicContact NE-OE2 3.17Å; R231-E284 PolarHBondContact NE-OE2 3.4Å; R231-E284 IonicContact NH1-OE1 3.79Å; R231-E284 PolarHBondContact NH1-OE1 3.42Å; R231-E284 IonicContact NH2-OE1 3.2Å; R231-E284 PolarHBondContact NH2-OE1 3.49Å; R231-E284 IonicContact NH2-OE2 3.16Å; R231-E284 PolarHBondContact NH2-OE2 3.15Å; M253-E284 WeakPolarHBondContact CE-OE2 3.41Å; E282-E284 PolarHBondContact O-N 3.49Å; E284-D286 PolarHBondContact O-N 2.87Å | ||
| 285 | D | 57.8 | Low | 62.2 | Low | 104 Ų | 104 | 88.7 Ų | 88.7 | 56% | 0.556 | 49% | 0.491 | S | S | * | . | trans | -72.5 | 114.8 | 161.8 | -66.9 | -38.9 | 0 | 0 | 0 | 106.6 | R224 F283 P287 | R224-D285 IonicContact CZ-OD1 3.92Å; R224-D285 IonicContact NE-OD1 3.94Å; R224-D285 IonicContact NH2-OD1 3.84Å; R224-D285 PolarHBondContact NH2-OD1 2.79Å; R224-D285 IonicContact NH2-OD2 2.71Å; F283-D285 PolarHBondContact O-N 2.79Å; D285-P287 VanDerWaalsContact O-CD 3.32Å; D285-P287 WeakPolarHBondContact O-CD 3.26Å | ||
| 286 | D | 49.5 | Very low | 60.9 | Low | 132 Ų | 132 | 90.3 Ų | 90.3 | 71% | 0.706 | 50% | 0.503 | S | S | * | . | trans | -53.6 | 116.7 | -176.1 | -145.8 | -23.9 | 0 | 0 | 0 | 110.2 | E284 T288 | E284-D286 PolarHBondContact O-N 2.87Å; D286-T288 PolarHBondContact O-N 3.49Å; D286-T288 PolarHBondContact OD1-OG1 3.21Å | ||
| 287 | P | 39.7 | Very low | 59.7 | Low | 120 Ų | 120 | 95.6 Ų | 95.6 | 78% | 0.779 | 53% | 0.532 | S | S | * | . | trans | -84.2 | 68.4 | 175.2 | 33.9 | -30.4 | 0 | 0 | 0 | 108.7 | D285 | D285-P287 VanDerWaalsContact O-CD 3.32Å; D285-P287 WeakPolarHBondContact O-CD 3.26Å | ||
| 288 | T | 36.5 | Very low | 58.5 | Low | 102 Ų | 102 | 100.6 Ų | 100.6 | 63% | 0.626 | 56% | 0.559 | S | S | * | * | trans | -137.7 | 80.8 | 177.9 | 34.4 | 0 | 0 | 0 | 0 | 111 | D286 | D286-T288 PolarHBondContact O-N 3.49Å; D286-T288 PolarHBondContact OD1-OG1 3.21Å | ||
| 289 | D | 40.9 | Very low | 57.1 | Low | 155 Ų | 155 | 104.1 Ų | 104.1 | 83% | 0.829 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -163.8 | 27.2 | 141.6 | -133.5 | 9.2 | 0 | 0 | 0 | 115.4 | ||
| 290 | D | 39.7 | Very low | 55.7 | Low | 159 Ų | 159 | 108.3 Ų | 108.3 | 85% | 0.85 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -114.3 | 53.4 | 173 | -73.3 | -45.5 | 0 | 0 | 0 | 110.6 | ||
| 291 | A | 35.9 | Very low | 53.8 | Low | 83 Ų | 83 | 113.5 Ų | 113.5 | 69% | 0.686 | 64% | 0.638 | S | S | * | * | trans | -147.8 | 131.2 | 162.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 292 | V | 40 | Very low | 51.2 | Low | 147 Ų | 147 | 122.3 Ų | 122.3 | 89% | 0.891 | 69% | 0.688 | S | S | * | * | trans | 89 | 75.9 | 172.8 | -155.6 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 293 | N | 36.4 | Very low | 48.2 | Very low | 234 Ų | 234 | 122.5 Ų | 122.5 | 100% | 1.251 | 70% | 0.699 | S | S | * | * | 178.6 | 0 | 113.1 | -161 | 26.6 | 0 | 0 | 0 | 110.7 |
Retrieved 293 of 293 residues in 252.1 ms
(Link to these results)