| 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 | 42.1 | Very low | 44.2 | Very low | 239 Ų | 239 | 143.5 Ų | 143.5 | 100% | 1.177 | 83% | 0.829 | S | S | * | * | 0 | 103.4 | 0 | -69.8 | 172.8 | 169.2 | 0 | 0 | 106.8 | |||||
| 2 | S | 40.7 | Very low | 44.6 | Very low | 123 Ų | 123 | 141.5 Ų | 141.5 | 86% | 0.86 | 82% | 0.82 | S | S | * | * | trans | -131.4 | 99.8 | 178.4 | -57.2 | 0 | 0 | 0 | 0 | 107.5 | A4 | S2-A4 PolarHBondContact O-N 2.76Š| ||
| 3 | H | 46 | Very low | 44.5 | Very low | 196 Ų | 196 | 144.7 Ų | 144.7 | 91% | 0.907 | 82% | 0.823 | S | S | * | * | trans | -78.9 | 99.8 | 168.8 | -84.5 | -87.5 | 0 | 0 | 0 | 107.5 | A5 | H3-A5 PolarHBondContact O-N 2.97Š| ||
| 4 | A | 45.4 | Very low | 44.4 | Very low | 93 Ų | 93 | 140.6 Ų | 140.6 | 77% | 0.769 | 82% | 0.815 | S | S | * | * | trans | -72.6 | 113.9 | 160 | 0 | 0 | 0 | 0 | 0 | 106.8 | S2 E6 | S2-A4 PolarHBondContact O-N 2.76Å; A4-E6 PolarHBondContact O-N 2.71Å; A4-E6 VanDerWaalsContact O-N 3.12Å | ||
| 5 | A | 46.9 | Very low | 44.7 | Very low | 96 Ų | 96 | 136.6 Ų | 136.6 | 79% | 0.793 | 80% | 0.799 | S | S | * | * | trans | -70.5 | 101.2 | 168.5 | 0 | 0 | 0 | 0 | 0 | 107.5 | H3 P7 | H3-A5 PolarHBondContact O-N 2.97Å; A5-P7 WeakPolarHBondContact O-CD 3.36Å | ||
| 6 | E | 47.3 | Very low | 44.8 | Very low | 163 Ų | 163 | 134.2 Ų | 134.2 | 76% | 0.762 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 119.9 | 160.1 | -80.3 | -108.9 | 97.4 | 0 | 0 | 107.4 | A4 A8 | A4-E6 PolarHBondContact O-N 2.71Å; A4-E6 VanDerWaalsContact O-N 3.12Å; E6-A8 PolarHBondContact O-N 2.93Å; E6-A8 VanDerWaalsContact O-N 3.14Å |
| 7 | P | 43.6 | Very low | 45 | Very low | 115 Ų | 115 | 129.5 Ų | 129.5 | 75% | 0.747 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 116.9 | 166.5 | 26.1 | -28.1 | 0 | 0 | 0 | 107.2 | A5 R9 | A5-P7 WeakPolarHBondContact O-CD 3.36Å; P7-R9 PolarHBondContact O-N 2.79Å |
| 8 | A | 43.2 | Very low | 45.2 | Very low | 94 Ų | 94 | 124.2 Ų | 124.2 | 78% | 0.777 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -49 | 130.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | E6 D10 | E6-A8 PolarHBondContact O-N 2.93Å; E6-A8 VanDerWaalsContact O-N 3.14Å; A8-D10 VanDerWaalsContact C-N 3.32Å; A8-D10 PolarHBondContact O-N 2.8Å |
| 9 | R | 46.3 | Very low | 45.3 | Very low | 227 Ų | 227 | 124.5 Ų | 124.5 | 86% | 0.857 | 75% | 0.749 | S | S | * | * | trans | -59.5 | 92.2 | -177.7 | -61.5 | 177.4 | 178.6 | 177.4 | -1.7 | 109.2 | P7 A11 | P7-R9 PolarHBondContact O-N 2.79Å; R9-A11 PolarHBondContact O-N 3.42Å | ||
| 10 | D | 42.7 | Very low | 45.8 | Very low | 157 Ų | 157 | 122.5 Ų | 122.5 | 84% | 0.84 | 73% | 0.728 | S | S | * | * | trans | -76.4 | 66.5 | 158.8 | -166 | -145.7 | 0 | 0 | 0 | 107.5 | A8 | A8-D10 VanDerWaalsContact C-N 3.32Å; A8-D10 PolarHBondContact O-N 2.8Å | ||
| 11 | A | 42 | Very low | 46 | Very low | 76 Ų | 76 | 117.9 Ų | 117.9 | 63% | 0.628 | 70% | 0.703 | S | S | * | * | trans | -107 | 88.4 | 157 | 0 | 0 | 0 | 0 | 0 | 103.2 | R9 E13 | R9-A11 PolarHBondContact O-N 3.42Å; A11-E13 PolarHBondContact O-N 2.88Å | ||
| 12 | V | 48.9 | Very low | 46.6 | Very low | 119 Ų | 119 | 107.5 Ų | 107.5 | 72% | 0.721 | 65% | 0.653 | S | S | * | * | trans | -47.9 | 98.8 | 154.3 | 58.5 | 0 | 0 | 0 | 0 | 105.6 | A14 | V12-A14 PolarHBondContact O-N 3.25Š| ||
| 13 | E | 43.3 | Very low | 47.3 | Very low | 183 Ų | 183 | 105 Ų | 105 | 86% | 0.855 | 63% | 0.627 | S | S | * | * | trans | -62.1 | 94.3 | 160.5 | -73.4 | -141.6 | 121.2 | 0 | 0 | 103.4 | A11 S15 | A11-E13 PolarHBondContact O-N 2.88Å; E13-S15 PolarHBondContact O-N 3.3Å | ||
| 14 | A | 43.1 | Very low | 48 | Very low | 87 Ų | 87 | 95.8 Ų | 95.8 | 72% | 0.719 | 59% | 0.585 | S | S | * | * | trans | -55.9 | 92.7 | 162.8 | 0 | 0 | 0 | 0 | 0 | 104.3 | V12 A16 | V12-A14 PolarHBondContact O-N 3.25Å; A14-A16 PolarHBondContact O-N 2.8Å | ||
| 15 | S | 49 | Very low | 48.8 | Very low | 81 Ų | 81 | 92.6 Ų | 92.6 | 57% | 0.566 | 55% | 0.554 | S | S | * | * | trans | -46.4 | 112.5 | -179.6 | -169.2 | 0 | 0 | 0 | 0 | 105.4 | E13 E17 | E13-S15 PolarHBondContact O-N 3.3Å; S15-E17 PolarHBondContact O-N 3.14Å | ||
| 16 | A | 46 | Very low | 49.3 | Very low | 98 Ų | 98 | 89 Ų | 89 | 81% | 0.81 | 52% | 0.521 | S | S | * | . | trans | -72 | 41.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | A14 | A14-A16 PolarHBondContact O-N 2.8Š| ||
| 17 | E | 48.4 | Very low | 49.8 | Very low | 54 Ų | 54 | 85.6 Ų | 85.6 | 25% | 0.252 | 51% | 0.506 | S | S | . | . | trans | -96.3 | 114.6 | -170.3 | -150.7 | 92.9 | -85.8 | 0 | 0 | 106.6 | S15 R20 D81 P82 | S15-E17 PolarHBondContact O-N 3.14Å; E17-R20 HydrophobicContact CG-CG 3.86Å; E17-R20 IonicContact OE2-CZ 3.4Å; E17-R20 IonicContact OE2-NE 3.39Å; E17-R20 PolarHBondContact OE2-NE 3.08Å; E17-R20 IonicContact OE2-NH2 2.64Å; E17-R20 PolarHBondContact OE2-NH2 3.08Å; E17-D81 WeakPolarHBondContact OE1-CA 2.97Å; E17-D81 VanDerWaalsContact OE1-CG 3.32Å; E17-P82 VanDerWaalsContact CD-CD 3.46Å; E17-P82 HydrophobicContact CG-CG 3.98Å; E17-P82 VanDerWaalsContact OE1-CD 3.31Å; E17-P82 WeakPolarHBondContact OE1-CD 3.47Å; E17-P82 WeakPolarHBondContact OE2-CG 3.31Å | ||
| 18 | G | 48 | Very low | 50.1 | Low | 34 Ų | 34 | 85.9 Ų | 85.9 | 35% | 0.351 | 50% | 0.497 | S | S | . | . | trans | -55.9 | 169.3 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111 | R20 | G18-R20 PolarHBondContact O-N 3.12Š| ||
| 19 | P | 47.9 | Very low | 50.4 | Low | 130 Ų | 130 | 92.8 Ų | 92.8 | 84% | 0.844 | 50% | 0.503 | S | S | * | . | trans | -54.3 | 108.6 | 173.7 | 20.7 | -29.9 | 0 | 0 | 0 | 109.8 | A21 | P19-A21 VanDerWaalsContact C-N 3.34Å; P19-A21 PolarHBondContact O-N 2.5Å | ||
| 20 | R | 54.9 | Low | 50.5 | Low | 85 Ų | 85 | 91 Ų | 91 | 32% | 0.321 | 50% | 0.496 | S | S | . | . | trans | -67.1 | 83.3 | -178 | -68.1 | -178.9 | 174.6 | -175 | -0.5 | 110.3 | E17 G18 S42 L44 P82 | E17-R20 HydrophobicContact CG-CG 3.86Å; E17-R20 IonicContact OE2-CZ 3.4Å; E17-R20 IonicContact OE2-NE 3.39Å; E17-R20 PolarHBondContact OE2-NE 3.08Å; E17-R20 IonicContact OE2-NH2 2.64Å; E17-R20 PolarHBondContact OE2-NH2 3.08Å; G18-R20 PolarHBondContact O-N 3.12Å; R20-S42 WeakPolarHBondContact O-CB 3.47Å; R20-S42 PolarHBondContact O-OG 3.28Å; R20-L44 HydrophobicContact CB-CD1 4.39Å; R20-P82 HydrophobicContact CG-CG 3.83Å; R20-P82 VanDerWaalsContact NE-CG 3.31Å | ||
| 21 | A | 50.5 | Low | 50.6 | Low | 26 Ų | 26 | 89.1 Ų | 89.1 | 22% | 0.215 | 49% | 0.493 | C | S | . | . | trans | -69 | 136.8 | -175 | 0 | 0 | 0 | 0 | 0 | 113.1 | P19 F23 | P19-A21 VanDerWaalsContact C-N 3.34Å; P19-A21 PolarHBondContact O-N 2.5Å; A21-F23 HydrophobicContact CB-CD2 4.5Å; A21-F23 HydrophobicContact CB-CE1 4.33Å; A21-F23 HydrophobicContact CB-CE2 3.67Å; A21-F23 HydrophobicContact CB-CZ 3.58Å | ||
| 22 | V | 53.8 | Low | 50.8 | Low | 21 Ų | 21 | 90.5 Ų | 90.5 | 13% | 0.127 | 50% | 0.504 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 128.3 | 168.9 | 179.7 | 0 | 0 | 0 | 0 | 108.4 | L40 L44 F87 | V22-L40 PolarHBondContact O-N 2.96Å; V22-L40 VanDerWaalsContact O-N 3.08Å; V22-L44 HydrophobicContact CG2-CD1 3.98Å; V22-F87 HydrophobicContact CG1-CD2 3.84Å; V22-F87 HydrophobicContact CG1-CE2 3.96Å |
| 23 | F | 55.5 | Low | 50.7 | Low | 69 Ų | 69 | 93.7 Ų | 93.7 | 30% | 0.303 | 51% | 0.511 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 129 | 180 | -57.8 | -83 | 0 | 0 | 0 | 110.1 | A21 I86 F87 | A21-F23 HydrophobicContact CB-CD2 4.5Å; A21-F23 HydrophobicContact CB-CE1 4.33Å; A21-F23 HydrophobicContact CB-CE2 3.67Å; A21-F23 HydrophobicContact CB-CZ 3.58Å; F23-I86 HydrophobicContact CB-CG1 4.48Å; F23-F87 PolarHBondContact O-N 2.85Å; F23-F87 VanDerWaalsContact O-N 3.09Å |
| 24 | L | 61.4 | Low | 50.8 | Low | 4 Ų | 4 | 89.9 Ų | 89.9 | 2% | 0.021 | 51% | 0.505 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 128 | 170.7 | -67.3 | 150.8 | 0 | 0 | 0 | 108.7 | L38 L40 L55 F87 I89 | L24-L38 HydrophobicContact CB-CB 4.14Å; L24-L38 HydrophobicContact CD1-CD2 4.29Å; L24-L38 PolarHBondContact N-O 3.06Å; L24-L38 PolarHBondContact O-N 3.46Å; L24-L40 HydrophobicContact CD1-CD1 3.37Å; L24-L40 HydrophobicContact CD1-CD2 4.34Å; L24-L40 HydrophobicContact CD1-CG 3.77Å; L24-L40 HydrophobicContact CG-CD1 4.44Å; L24-L55 HydrophobicContact CD1-CD2 4.27Å; L24-F87 CarbonylContact C-O 3.56Å; L24-F87 WeakPolarHBondContact CA-O 3.46Å; L24-F87 HydrophobicContact CD2-CB 3.7Å; L24-F87 HydrophobicContact CD2-CG 4.49Å; L24-I89 HydrophobicContact CD2-CD1 4.02Å; L24-I89 HydrophobicContact CD2-CG1 4.39Å |
| 25 | L | 61.4 | Low | 51.1 | Low | 25 Ų | 25 | 88.6 Ų | 88.6 | 13% | 0.131 | 49% | 0.494 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 123.1 | 166.3 | -92.2 | 78.1 | 0 | 0 | 0 | 109.3 | A35 L37 I86 F87 F88 I89 | L25-A35 HydrophobicContact CD2-CB 4.33Å; L25-L37 HydrophobicContact CD1-CD2 3.04Å; L25-L37 HydrophobicContact CD1-CG 4.48Å; L25-L37 HydrophobicContact CD2-CD2 4.07Å; L25-L37 HydrophobicContact CG-CD2 3.39Å; L25-I86 HydrophobicContact CD1-CG2 3.64Å; L25-F87 PolarHBondContact N-O 2.85Å; L25-F88 HydrophobicContact CB-CD1 3.81Å; L25-F88 HydrophobicContact CB-CE1 4.15Å; L25-F88 HydrophobicContact CB-CG 4.48Å; L25-F88 HydrophobicContact CD2-CD1 4.06Å; L25-F88 HydrophobicContact CD2-CE1 3.58Å; L25-F88 HydrophobicContact CD2-CZ 4.41Å; L25-F88 HydrophobicContact CG-CD1 4.46Å; L25-F88 HydrophobicContact CG-CE1 4.31Å; L25-F88 WeakPolarHBondContact O-CA 3.5Å; L25-I89 PolarHBondContact O-N 2.85Å |
| 26 | L | 58.5 | Low | 51.3 | Low | 20 Ų | 20 | 89.9 Ų | 89.9 | 11% | 0.105 | 49% | 0.491 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 115 | 166 | -72.3 | 82.8 | 0 | 0 | 0 | 108.7 | Q36 I58 L59 | L26-Q36 HydrophobicContact CB-CB 4.42Å; L26-Q36 PolarHBondContact N-O 3.39Å; L26-Q36 PolarHBondContact O-N 3.27Å; L26-I58 HydrophobicContact CD2-CG2 4Å; L26-L59 HydrophobicContact CD2-CD2 3.84Å |
| 27 | E | 56.4 | Low | 51.7 | Low | 92 Ų | 92 | 90.8 Ų | 90.8 | 43% | 0.43 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 88.3 | 171.9 | -74.6 | 173.5 | 169.3 | 0 | 0 | 108.6 | I89 | E27-I89 PolarHBondContact N-O 3.39Å |
| 28 | E | 51.6 | Low | 52.2 | Low | 122 Ų | 122 | 90.2 Ų | 90.2 | 57% | 0.57 | 48% | 0.48 | S | S | * | . | trans | -69.6 | 138.9 | 170.6 | -80.7 | -169.5 | 96.1 | 0 | 0 | 110.6 | R30 | E28-R30 PolarHBondContact O-N 3.27Š| ||
| 29 | R | 48.6 | Very low | 52.5 | Low | 238 Ų | 238 | 92.1 Ų | 92.1 | 90% | 0.898 | 49% | 0.488 | S | S | * | . | S | Bend | trans | -71.9 | 55.3 | 167.2 | -81.1 | -164.3 | 176 | -154.1 | 2.5 | 111.9 | ||
| 30 | R | 49.4 | Very low | 52.8 | Low | 189 Ų | 189 | 88.2 Ų | 88.2 | 71% | 0.713 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -120.8 | 152.3 | 165.7 | -67.6 | -151.7 | -156.6 | -176.5 | 9.1 | 109.2 | E28 A32 | E28-R30 PolarHBondContact O-N 3.27Å; R30-A32 PolarHBondContact O-N 2.79Å |
| 31 | P | 44.1 | Very low | 52.5 | Low | 118 Ų | 118 | 91.4 Ų | 91.4 | 77% | 0.766 | 48% | 0.483 | S | S | * | . | trans | -62.8 | 111.1 | -158.2 | 22.5 | -31.4 | 0 | 0 | 0 | 112.9 | E33 | P31-E33 VanDerWaalsContact C-N 3.32Å; P31-E33 PolarHBondContact O-N 3.5Å | ||
| 32 | A | 46.3 | Very low | 52.4 | Low | 105 Ų | 105 | 92 Ų | 92 | 87% | 0.868 | 49% | 0.486 | S | S | * | . | S | Bend | trans | 57.9 | -5.9 | 142.6 | 0 | 0 | 0 | 0 | 0 | 121.9 | R30 | R30-A32 PolarHBondContact O-N 2.79Š|
| 33 | E | 47.4 | Very low | 52.1 | Low | 187 Ų | 187 | 98.8 Ų | 98.8 | 87% | 0.874 | 52% | 0.521 | S | S | * | . | S | Bend | trans | -128 | 0.6 | -170 | -60.2 | -163.5 | 139.2 | 0 | 0 | 116.6 | P31 | P31-E33 VanDerWaalsContact C-N 3.32Å; P31-E33 PolarHBondContact O-N 3.5Å |
| 34 | S | 45.4 | Very low | 51.7 | Low | 102 Ų | 102 | 98.3 Ų | 98.3 | 71% | 0.713 | 52% | 0.521 | S | S | * | . | trans | -141.1 | 113.3 | 179.9 | 33.3 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 35 | A | 48.6 | Very low | 51 | Low | 60 Ų | 60 | 101.4 Ų | 101.4 | 50% | 0.496 | 54% | 0.542 | S | S | . | . | trans | -101 | 126 | 162.8 | 0 | 0 | 0 | 0 | 0 | 107.5 | L25 L37 | L25-A35 HydrophobicContact CD2-CB 4.33Å; A35-L37 PolarHBondContact O-N 2.64Å | ||
| 36 | Q | 53.6 | Low | 50.5 | Low | 108 Ų | 108 | 109.9 Ų | 109.9 | 51% | 0.505 | 58% | 0.58 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -85.2 | 114.9 | 176.6 | -168.8 | 174.1 | 13.3 | 0 | 0 | 108.9 | L26 | L26-Q36 HydrophobicContact CB-CB 4.42Å; L26-Q36 PolarHBondContact N-O 3.39Å; L26-Q36 PolarHBondContact O-N 3.27Å |
| 37 | L | 53.4 | Low | 49.8 | Very low | 118 Ų | 118 | 113 Ų | 113 | 62% | 0.618 | 60% | 0.603 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -89 | 112.4 | 173.7 | -66.9 | 173.9 | 0 | 0 | 0 | 109.4 | L25 A35 | L25-L37 HydrophobicContact CD1-CD2 3.04Å; L25-L37 HydrophobicContact CD1-CG 4.48Å; L25-L37 HydrophobicContact CD2-CD2 4.07Å; L25-L37 HydrophobicContact CG-CD2 3.39Å; A35-L37 PolarHBondContact O-N 2.64Å |
| 38 | L | 58.6 | Low | 49.3 | Very low | 42 Ų | 42 | 111.2 Ų | 111.2 | 22% | 0.22 | 61% | 0.61 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -98.1 | 114.6 | 171.7 | -150.4 | 79.4 | 0 | 0 | 0 | 108.8 | L24 L40 I58 | L24-L38 HydrophobicContact CB-CB 4.14Å; L24-L38 HydrophobicContact CD1-CD2 4.29Å; L24-L38 PolarHBondContact N-O 3.06Å; L24-L38 PolarHBondContact O-N 3.46Å; L38-L40 HydrophobicContact CD2-CD2 3.84Å; L38-L40 HydrophobicContact CG-CD2 4.38Å; L38-I58 HydrophobicContact CD2-CD1 3.61Å |
| 39 | S | 55.1 | Low | 49.2 | Very low | 73 Ų | 73 | 111.4 Ų | 111.4 | 51% | 0.51 | 61% | 0.614 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -88.6 | 109.9 | 172 | -179.4 | 0 | 0 | 0 | 0 | 108.4 | ||
| 40 | L | 54.2 | Low | 49.3 | Very low | 49 Ų | 49 | 103.7 Ų | 103.7 | 26% | 0.257 | 59% | 0.593 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -85.9 | 123.7 | 171.1 | -62.2 | -174.8 | 0 | 0 | 0 | 108.5 | V22 L24 L38 S42 I53 | V22-L40 PolarHBondContact O-N 2.96Å; V22-L40 VanDerWaalsContact O-N 3.08Å; L24-L40 HydrophobicContact CD1-CD1 3.37Å; L24-L40 HydrophobicContact CD1-CD2 4.34Å; L24-L40 HydrophobicContact CD1-CG 3.77Å; L24-L40 HydrophobicContact CG-CD1 4.44Å; L38-L40 HydrophobicContact CD2-CD2 3.84Å; L38-L40 HydrophobicContact CG-CD2 4.38Å; L40-S42 PolarHBondContact O-N 3.09Å; L40-S42 VanDerWaalsContact O-N 3.08Å; L40-I53 HydrophobicContact CD1-CG2 3.9Å |
| 41 | N | 49.8 | Very low | 49.5 | Very low | 151 Ų | 151 | 97.7 Ų | 97.7 | 81% | 0.807 | 58% | 0.584 | S | S | * | * | trans | -62.3 | 114.4 | 167.1 | -77.8 | -53.9 | 0 | 0 | 0 | 107.1 | L43 | N41-L43 PolarHBondContact O-N 2.85Š| ||
| 42 | S | 48 | Very low | 50 | Low | 40 Ų | 40 | 100 Ų | 100 | 28% | 0.28 | 59% | 0.59 | S | S | . | * | trans | -63.6 | 102.1 | -176.7 | -107.3 | 0 | 0 | 0 | 0 | 110.7 | R20 L40 L44 | R20-S42 WeakPolarHBondContact O-CB 3.47Å; R20-S42 PolarHBondContact O-OG 3.28Å; L40-S42 PolarHBondContact O-N 3.09Å; L40-S42 VanDerWaalsContact O-N 3.08Å; S42-L44 PolarHBondContact O-N 3.36Å; S42-L44 VanDerWaalsContact OG-CD1 3.23Å; S42-L44 WeakPolarHBondContact OG-CD1 3.23Å; S42-L44 VanDerWaalsContact OG-CG 3.23Å; S42-L44 WeakPolarHBondContact OG-CG 3.18Å | ||
| 43 | L | 46.8 | Very low | 50.6 | Low | 163 Ų | 163 | 98.3 Ų | 98.3 | 85% | 0.853 | 57% | 0.566 | S | S | * | * | trans | -82.4 | 41.1 | 153.2 | -59.3 | 177 | 0 | 0 | 0 | 108.7 | N41 P45 | N41-L43 PolarHBondContact O-N 2.85Å; L43-P45 WeakPolarHBondContact O-CD 3.47Å | ||
| 44 | L | 47.4 | Very low | 51.3 | Low | 58 Ų | 58 | 97 Ų | 97 | 30% | 0.304 | 56% | 0.56 | S | S | . | * | trans | -74.8 | 115.9 | 174.4 | -73.4 | 178.1 | 0 | 0 | 0 | 107.4 | R20 V22 S42 V50 | R20-L44 HydrophobicContact CB-CD1 4.39Å; V22-L44 HydrophobicContact CG2-CD1 3.98Å; S42-L44 PolarHBondContact O-N 3.36Å; S42-L44 VanDerWaalsContact OG-CD1 3.23Å; S42-L44 WeakPolarHBondContact OG-CD1 3.23Å; S42-L44 VanDerWaalsContact OG-CG 3.23Å; S42-L44 WeakPolarHBondContact OG-CG 3.18Å; L44-V50 HydrophobicContact CD2-CB 4.33Å; L44-V50 HydrophobicContact CD2-CG1 4.3Å; L44-V50 HydrophobicContact CD2-CG2 4Å | ||
| 45 | P | 46.7 | Very low | 52.3 | Low | 70 Ų | 70 | 94.1 Ų | 94.1 | 46% | 0.455 | 54% | 0.536 | S | S | . | . | trans | -64.4 | 155.2 | 170.2 | 26.8 | -30.9 | 0 | 0 | 0 | 109.7 | L43 S47 G48 | L43-P45 WeakPolarHBondContact O-CD 3.47Å; P45-S47 PolarHBondContact O-N 3.18Å; P45-G48 PolarHBondContact O-N 2.86Å | ||
| 46 | E | 50.7 | Low | 52.9 | Low | 203 Ų | 203 | 98.5 Ų | 98.5 | 95% | 0.949 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.7 | -16.8 | 178 | -76.8 | 171.3 | 94.4 | 0 | 0 | 114.5 | G48 | E46-G48 PolarHBondContact O-N 2.88Š|
| 47 | S | 44.3 | Very low | 53.1 | Low | 84 Ų | 84 | 101.3 Ų | 101.3 | 59% | 0.587 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.2 | -7.6 | -174.7 | 132.6 | 0 | 0 | 0 | 0 | 115.6 | P45 I49 | P45-S47 PolarHBondContact O-N 3.18Å; S47-I49 PolarHBondContact O-N 2.92Å |
| 48 | G | 45.6 | Very low | 53.6 | Low | 56 Ų | 56 | 99.2 Ų | 99.2 | 58% | 0.577 | 55% | 0.553 | S | S | * | * | trans | 69.6 | 12.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | P45 E46 | P45-G48 PolarHBondContact O-N 2.86Å; E46-G48 PolarHBondContact O-N 2.88Å | ||
| 49 | I | 49.1 | Very low | 54.2 | Low | 125 Ų | 125 | 98.6 Ų | 98.6 | 64% | 0.641 | 55% | 0.55 | S | S | * | . | P | Polyproline II helix | trans | -103.8 | 123 | 171.5 | -59.4 | 172.9 | 0 | 0 | 0 | 107.5 | S47 | S47-I49 PolarHBondContact O-N 2.92Š|
| 50 | V | 51.1 | Low | 54.9 | Low | 76 Ų | 76 | 98.9 Ų | 98.9 | 46% | 0.461 | 55% | 0.546 | S | S | . | . | P | Polyproline II helix | trans | -73.5 | 124.1 | -177.1 | -174.7 | 0 | 0 | 0 | 0 | 108.8 | L44 I53 | L44-V50 HydrophobicContact CD2-CB 4.33Å; L44-V50 HydrophobicContact CD2-CG1 4.3Å; L44-V50 HydrophobicContact CD2-CG2 4Å; V50-I53 HydrophobicContact CG1-CD1 3.9Å; V50-I53 HydrophobicContact CG1-CG1 4.07Å |
| 51 | A | 52.6 | Low | 55.5 | Low | 64 Ų | 64 | 102 Ų | 102 | 53% | 0.529 | 57% | 0.569 | S | S | . | * | P | Polyproline II helix | trans | -62 | 155.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | I53 | A51-I53 PolarHBondContact O-N 2.93Å; A51-I53 VanDerWaalsContact O-N 3.07Å |
| 52 | D | 54.8 | Low | 56.6 | Low | 166 Ų | 166 | 101.8 Ų | 101.8 | 89% | 0.888 | 57% | 0.568 | S | S | * | * | P | Polyproline II helix | trans | -51.3 | 116.8 | 173.7 | -68.4 | -48 | 0 | 0 | 0 | 109.9 | E54 | D52-E54 PolarHBondContact O-N 2.79Š|
| 53 | I | 59.5 | Low | 57.5 | Low | 70 Ų | 70 | 102.5 Ų | 102.5 | 36% | 0.359 | 57% | 0.573 | S | S | . | * | trans | -86.7 | 108.9 | 179.7 | -55.7 | 175.2 | 0 | 0 | 0 | 107.3 | L40 V50 A51 L55 | L40-I53 HydrophobicContact CD1-CG2 3.9Å; V50-I53 HydrophobicContact CG1-CD1 3.9Å; V50-I53 HydrophobicContact CG1-CG1 4.07Å; A51-I53 PolarHBondContact O-N 2.93Å; A51-I53 VanDerWaalsContact O-N 3.07Å; I53-L55 HydrophobicContact CG2-CD2 3.66Å; I53-L55 HydrophobicContact CG2-CG 3.95Å; I53-L55 PolarHBondContact O-N 3.18Å | ||
| 54 | E | 62 | Low | 58.5 | Low | 159 Ų | 159 | 101.1 Ų | 101.1 | 74% | 0.743 | 56% | 0.56 | S | S | * | * | trans | -71.2 | 96.1 | 176 | -65.7 | 176.3 | 85.3 | 0 | 0 | 110.3 | D52 | D52-E54 PolarHBondContact O-N 2.79Š| ||
| 55 | L | 66.4 | Low | 59.4 | Low | 42 Ų | 42 | 102.3 Ų | 102.3 | 22% | 0.22 | 56% | 0.561 | C | S | . | * | trans | -92.7 | 2.8 | 178.5 | -62.1 | 173.3 | 0 | 0 | 0 | 113.1 | L24 I53 N57 I58 L59 I89 | L24-L55 HydrophobicContact CD1-CD2 4.27Å; I53-L55 HydrophobicContact CG2-CD2 3.66Å; I53-L55 HydrophobicContact CG2-CG 3.95Å; I53-L55 PolarHBondContact O-N 3.18Å; L55-N57 PolarHBondContact O-N 3.45Å; L55-I58 HydrophobicContact CD2-CD1 4.38Å; L55-I58 PolarHBondContact O-N 2.97Å; L55-L59 HydrophobicContact CB-CD1 3.74Å; L55-L59 HydrophobicContact CB-CG 4.07Å; L55-L59 HydrophobicContact CD1-CD1 3.84Å; L55-L59 HydrophobicContact CG-CD1 4.34Å; L55-L59 PolarHBondContact O-N 3.01Å; L55-I89 HydrophobicContact CD1-CD1 4.24Å | ||
| 56 | E | 60.8 | Low | 60.2 | Low | 151 Ų | 151 | 103 Ų | 103 | 71% | 0.706 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.5 | -26.6 | -169.7 | -51.9 | -178 | -146.3 | 0 | 0 | 114.1 | ||
| 57 | N | 58.3 | Low | 61 | Low | 168 Ų | 168 | 98.2 Ų | 98.2 | 90% | 0.898 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.7 | -3 | 179.1 | -69.8 | -32.3 | 0 | 0 | 0 | 113.5 | L55 | L55-N57 PolarHBondContact O-N 3.45Š|
| 58 | I | 64.8 | Low | 62 | Low | 74 Ų | 74 | 98.9 Ų | 98.9 | 38% | 0.379 | 53% | 0.531 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.4 | -37.3 | -173.3 | -58.4 | 158.7 | 0 | 0 | 0 | 110.6 | L26 L38 L55 | L26-I58 HydrophobicContact CD2-CG2 4Å; L38-I58 HydrophobicContact CD2-CD1 3.61Å; L55-I58 HydrophobicContact CD2-CD1 4.38Å; L55-I58 PolarHBondContact O-N 2.97Å |
| 59 | L | 69.9 | Low | 62.9 | Low | 28 Ų | 28 | 99.7 Ų | 99.7 | 15% | 0.147 | 53% | 0.528 | C | S | . | . | S | Bend | trans | -101.7 | 142.8 | -178.3 | -59.5 | -177.9 | 0 | 0 | 0 | 110.9 | L26 L55 Y65 I89 | L26-L59 HydrophobicContact CD2-CD2 3.84Å; L55-L59 HydrophobicContact CB-CD1 3.74Å; L55-L59 HydrophobicContact CB-CG 4.07Å; L55-L59 HydrophobicContact CD1-CD1 3.84Å; L55-L59 HydrophobicContact CG-CD1 4.34Å; L55-L59 PolarHBondContact O-N 3.01Å; L59-Y65 HydrophobicContact CB-CD2 4.31Å; L59-Y65 HydrophobicContact CB-CE2 3.74Å; L59-Y65 HydrophobicContact CD1-CD2 3.96Å; L59-Y65 HydrophobicContact CD1-CE2 4.23Å; L59-Y65 HydrophobicContact CD1-CG 4.17Å; L59-Y65 HydrophobicContact CD2-CD1 4.33Å; L59-Y65 HydrophobicContact CD2-CE1 4.07Å; L59-Y65 HydrophobicContact CG-CE2 4.39Å; L59-I89 HydrophobicContact CD1-CD1 4.26Å; L59-I89 HydrophobicContact CD1-CG2 4.38Å; L59-I89 HydrophobicContact CD2-CD1 4.32Å; L59-I89 HydrophobicContact CD2-CG2 4.18Å |
| 60 | D | 70.9 | Confident | 63.5 | Low | 80 Ų | 80 | 99.7 Ų | 99.7 | 43% | 0.428 | 53% | 0.525 | S | S | . | . | trans | -63.8 | 122.1 | 171.9 | 175.5 | -99.6 | 0 | 0 | 0 | 110.2 | D62 S63 Y65 | D60-D62 VanDerWaalsContact C-N 3.25Å; D60-D62 PolarHBondContact O-N 3.07Å; D60-D62 PolarHBondContact OD1-N 3.42Å; D60-S63 PolarHBondContact O-N 3.21Å; D60-S63 WeakPolarHBondContact OD1-CB 3.36Å; D60-S63 PolarHBondContact OD1-N 2.9Å; D60-S63 PolarHBondContact OD1-OG 2.76Å; D60-Y65 WeakPolarHBondContact CA-OH 3.23Å; D60-Y65 VanDerWaalsContact CB-OH 3.26Å; D60-Y65 WeakPolarHBondContact CB-OH 3.34Å; D60-Y65 PolarHBondContact N-OH 3.03Å; D60-Y65 VanDerWaalsContact O-CE2 3.3Å; D60-Y65 WeakPolarHBondContact O-CE2 3.5Å; D60-Y65 PolarHBondContact O-OH 3.27Å | ||
| 61 | P | 66.3 | Low | 63.6 | Low | 115 Ų | 115 | 101 Ų | 101 | 75% | 0.747 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71 | -18 | -172.6 | 28.5 | -35.9 | 0 | 0 | 0 | 113.9 | S63 | P61-S63 VanDerWaalsContact C-N 3.31Š|
| 62 | D | 71.8 | Confident | 63.7 | Low | 145 Ų | 145 | 101.3 Ų | 101.3 | 78% | 0.775 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.6 | 2.6 | 178.4 | -71.6 | -58.4 | 0 | 0 | 0 | 112.8 | D60 | D60-D62 VanDerWaalsContact C-N 3.25Å; D60-D62 PolarHBondContact O-N 3.07Å; D60-D62 PolarHBondContact OD1-N 3.42Å |
| 63 | S | 68.1 | Low | 63.3 | Low | 55 Ų | 55 | 98.6 Ų | 98.6 | 39% | 0.385 | 52% | 0.522 | S | S | . | . | S | Bend | trans | -111.9 | 146.5 | -176.3 | -67.1 | 0 | 0 | 0 | 0 | 112.3 | D60 P61 Y65 | D60-S63 PolarHBondContact O-N 3.21Å; D60-S63 WeakPolarHBondContact OD1-CB 3.36Å; D60-S63 PolarHBondContact OD1-N 2.9Å; D60-S63 PolarHBondContact OD1-OG 2.76Å; P61-S63 VanDerWaalsContact C-N 3.31Å; S63-Y65 WeakPolarHBondContact CB-OH 3.26Å; S63-Y65 WeakPolarHBondContact O-CD2 3.38Å; S63-Y65 VanDerWaalsContact O-CE2 3.23Å; S63-Y65 WeakPolarHBondContact O-CE2 3.38Å |
| 64 | F | 67.1 | Low | 62.9 | Low | 135 Ų | 135 | 101.3 Ų | 101.3 | 59% | 0.592 | 54% | 0.536 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 140.4 | 173.6 | -66.9 | -95.4 | 0 | 0 | 0 | 109.6 | L92 A94 | F64-L92 HydrophobicContact CB-CB 4.2Å; F64-L92 WeakPolarHBondContact O-CA 3.38Å; F64-L92 PolarHBondContact O-N 2.84Å; F64-A94 HydrophobicContact CD2-CB 3.79Å; F64-A94 HydrophobicContact CE2-CB 3.97Å |
| 65 | Y | 66.4 | Low | 62.4 | Low | 82 Ų | 82 | 105.1 Ų | 105.1 | 32% | 0.322 | 54% | 0.544 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 138.5 | -180 | -58 | -87.6 | 0 | 0 | 0 | 110.9 | L59 D60 S63 I89 T90 | L59-Y65 HydrophobicContact CB-CD2 4.31Å; L59-Y65 HydrophobicContact CB-CE2 3.74Å; L59-Y65 HydrophobicContact CD1-CD2 3.96Å; L59-Y65 HydrophobicContact CD1-CE2 4.23Å; L59-Y65 HydrophobicContact CD1-CG 4.17Å; L59-Y65 HydrophobicContact CD2-CD1 4.33Å; L59-Y65 HydrophobicContact CD2-CE1 4.07Å; L59-Y65 HydrophobicContact CG-CE2 4.39Å; D60-Y65 WeakPolarHBondContact CA-OH 3.23Å; D60-Y65 VanDerWaalsContact CB-OH 3.26Å; D60-Y65 WeakPolarHBondContact CB-OH 3.34Å; D60-Y65 PolarHBondContact N-OH 3.03Å; D60-Y65 VanDerWaalsContact O-CE2 3.3Å; D60-Y65 WeakPolarHBondContact O-CE2 3.5Å; D60-Y65 PolarHBondContact O-OH 3.27Å; S63-Y65 WeakPolarHBondContact CB-OH 3.26Å; S63-Y65 WeakPolarHBondContact O-CD2 3.38Å; S63-Y65 VanDerWaalsContact O-CE2 3.23Å; S63-Y65 WeakPolarHBondContact O-CE2 3.38Å; Y65-I89 HydrophobicContact CD1-CG2 3.63Å; Y65-I89 HydrophobicContact CG-CG2 3.9Å; Y65-T90 WeakPolarHBondContact CA-O 3.3Å |
| 66 | E | 62.9 | Low | 61.3 | Low | 85 Ų | 85 | 108.2 Ų | 108.2 | 40% | 0.397 | 57% | 0.569 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -95.7 | 126.3 | 169.8 | -166.9 | -178.7 | -177.2 | 0 | 0 | 109 | K68 I89 T90 | E66-K68 HydrophobicContact CG-CG 4.37Å; E66-K68 WeakPolarHBondContact OE1-CE 3.48Å; E66-K68 IonicContact OE1-NZ 2.74Å; E66-K68 PolarHBondContact OE1-NZ 2.98Å; E66-K68 VanDerWaalsContact OE1-NZ 3.08Å; E66-K68 WeakPolarHBondContact OE2-CE 3.37Å; E66-K68 IonicContact OE2-NZ 3.08Å; E66-K68 PolarHBondContact OE2-NZ 2.83Å; E66-I89 WeakPolarHBondContact O-CA 3.43Å; E66-T90 PolarHBondContact N-O 2.9Å; E66-T90 PolarHBondContact O-N 3.26Å |
| 67 | L | 69.1 | Low | 60.6 | Low | 102 Ų | 102 | 112.6 Ų | 112.6 | 53% | 0.534 | 58% | 0.579 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -97.3 | 119.3 | 174.8 | -170.6 | 70.2 | 0 | 0 | 0 | 109.6 | F87 F88 I89 | L67-F87 HydrophobicContact CD1-CB 3.85Å; L67-F87 HydrophobicContact CD1-CD1 4.1Å; L67-F87 HydrophobicContact CD1-CG 4.35Å; L67-F87 HydrophobicContact CD2-CD1 3.93Å; L67-F87 HydrophobicContact CD2-CE1 4.35Å; L67-F87 HydrophobicContact CG-CD1 3.94Å; L67-F88 WeakPolarHBondContact CA-O 2.94Å; L67-I89 HydrophobicContact CD1-CD1 4.44Å; L67-I89 HydrophobicContact CD1-CG1 3.74Å |
| 68 | K | 64.4 | Low | 60.1 | Low | 99 Ų | 99 | 108.5 Ų | 108.5 | 43% | 0.43 | 58% | 0.577 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -117.2 | 123.4 | 176.2 | -72.6 | -175.5 | 170 | 135.9 | 0 | 110.9 | E66 F87 F88 | E66-K68 HydrophobicContact CG-CG 4.37Å; E66-K68 WeakPolarHBondContact OE1-CE 3.48Å; E66-K68 IonicContact OE1-NZ 2.74Å; E66-K68 PolarHBondContact OE1-NZ 2.98Å; E66-K68 VanDerWaalsContact OE1-NZ 3.08Å; E66-K68 WeakPolarHBondContact OE2-CE 3.37Å; E66-K68 IonicContact OE2-NZ 3.08Å; E66-K68 PolarHBondContact OE2-NZ 2.83Å; K68-F87 CarbonylContact O-C 3.53Å; K68-F87 WeakPolarHBondContact O-CA 3.43Å; K68-F88 HydrophobicContact CB-CB 4.37Å; K68-F88 PolarHBondContact N-O 2.76Å; K68-F88 PolarHBondContact O-N 2.96Å |
| 69 | S | 64.1 | Low | 59 | Low | 73 Ų | 73 | 111.5 Ų | 111.5 | 51% | 0.51 | 59% | 0.593 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -93.6 | 132 | 171.3 | 60 | 0 | 0 | 0 | 0 | 110.8 | I86 | S69-I86 WeakPolarHBondContact CA-O 3.37Å |
| 70 | Q | 61.4 | Low | 57.8 | Low | 124 Ų | 124 | 115.7 Ų | 115.7 | 58% | 0.579 | 62% | 0.622 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -114.7 | 129.6 | 163.1 | -69.1 | -164.8 | 7.9 | 0 | 0 | 110.6 | L72 I86 F88 | Q70-L72 PolarHBondContact O-N 2.97Å; Q70-I86 PolarHBondContact N-O 2.99Å; Q70-I86 PolarHBondContact O-N 2.93Å; Q70-F88 HydrophobicContact CB-CE2 4.18Å; Q70-F88 HydrophobicContact CG-CE2 4.15Å |
| 71 | P | 54.6 | Low | 56.9 | Low | 103 Ų | 103 | 114.4 Ų | 114.4 | 67% | 0.669 | 62% | 0.615 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -71.4 | 125.1 | 173.5 | 27.9 | -31.2 | 0 | 0 | 0 | 109.7 | S73 | P71-S73 PolarHBondContact O-N 3.34Å; P71-S73 VanDerWaalsContact O-N 3.12Å |
| 72 | L | 53.1 | Low | 56.1 | Low | 72 Ų | 72 | 110.8 Ų | 110.8 | 38% | 0.377 | 59% | 0.591 | S | S | . | * | trans | -75.6 | 104.9 | 171.3 | -65.4 | -179 | 0 | 0 | 0 | 109.3 | Q70 L74 H84 I86 | Q70-L72 PolarHBondContact O-N 2.97Å; L72-L74 HydrophobicContact CB-CG 4.34Å; L72-L74 PolarHBondContact O-N 3.12Å; L72-H84 WeakPolarHBondContact CB-O 3.23Å; L72-H84 HydrophobicContact CD1-CB 3.89Å; L72-H84 PolarHBondContact N-O 3.31Å; L72-I86 HydrophobicContact CD1-CD1 3.83Å; L72-I86 HydrophobicContact CD1-CG1 3.79Å; L72-I86 HydrophobicContact CD2-CD1 3.77Å; L72-I86 HydrophobicContact CD2-CG1 4.12Å; L72-I86 HydrophobicContact CG-CD1 4.1Å; L72-I86 HydrophobicContact CG-CG1 3.97Å | ||
| 73 | S | 47 | Very low | 55.1 | Low | 109 Ų | 109 | 109.4 Ų | 109.4 | 76% | 0.762 | 59% | 0.592 | S | S | * | * | trans | -73.5 | 80.6 | 164.8 | -68.9 | 0 | 0 | 0 | 0 | 108.8 | P71 R75 | P71-S73 PolarHBondContact O-N 3.34Å; P71-S73 VanDerWaalsContact O-N 3.12Å; S73-R75 PolarHBondContact O-N 3.43Å | ||
| 74 | L | 51.4 | Low | 54.3 | Low | 127 Ų | 127 | 109.1 Ų | 109.1 | 67% | 0.665 | 59% | 0.585 | S | S | * | * | trans | -70.8 | 71.8 | 169.1 | -68.5 | 176.3 | 0 | 0 | 0 | 109.5 | L72 S76 | L72-L74 HydrophobicContact CB-CG 4.34Å; L72-L74 PolarHBondContact O-N 3.12Å; L74-S76 PolarHBondContact O-N 3.21Å | ||
| 75 | R | 51.9 | Low | 53.8 | Low | 238 Ų | 238 | 105 Ų | 105 | 90% | 0.898 | 57% | 0.571 | S | S | * | * | trans | -74.6 | 71.3 | 163.4 | -84.7 | -160 | 178 | 149.5 | 0.8 | 109.4 | S73 | S73-R75 PolarHBondContact O-N 3.43Š| ||
| 76 | S | 43.9 | Very low | 53.4 | Low | 108 Ų | 108 | 102.6 Ų | 102.6 | 76% | 0.755 | 56% | 0.563 | S | S | * | * | S | Bend | trans | -170.5 | 121.7 | 147.2 | -102 | 0 | 0 | 0 | 0 | 113.4 | L74 | L74-S76 PolarHBondContact O-N 3.21Š|
| 77 | R | 45.7 | Very low | 53.5 | Low | 242 Ų | 242 | 100.6 Ų | 100.6 | 91% | 0.913 | 55% | 0.553 | S | S | * | * | S | Bend | trans | 87.3 | 59.2 | 137.8 | -139.4 | 165.9 | 177.2 | -179.8 | -3.4 | 116.7 | L79 | R77-L79 PolarHBondContact O-N 3.29Š|
| 78 | G | 47.4 | Very low | 53.2 | Low | 83 Ų | 83 | 97.5 Ų | 97.5 | 86% | 0.856 | 54% | 0.535 | S | S | * | . | trans | 81.1 | 20.3 | 136.2 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 79 | L | 42.6 | Very low | 53.1 | Low | 137 Ų | 137 | 93.1 Ų | 93.1 | 72% | 0.717 | 52% | 0.516 | S | S | * | . | trans | -97.5 | 136.1 | 159.6 | -111.8 | 97.2 | 0 | 0 | 0 | 110 | R77 D81 | R77-L79 PolarHBondContact O-N 3.29Å; L79-D81 HydrophobicContact CD2-CB 4.32Å; L79-D81 WeakPolarHBondContact CD2-OD2 3.46Å; L79-D81 PolarHBondContact O-N 2.69Å | ||
| 80 | P | 43.3 | Very low | 52.7 | Low | 116 Ų | 116 | 91.8 Ų | 91.8 | 75% | 0.753 | 51% | 0.505 | S | S | * | . | trans | -81.2 | 88.4 | 161.4 | 33 | -24.3 | 0 | 0 | 0 | 106.9 | ||||
| 81 | D | 51.7 | Low | 52.5 | Low | 53 Ų | 53 | 87.3 Ų | 87.3 | 28% | 0.283 | 49% | 0.493 | S | S | . | . | trans | -137.7 | 149.9 | 172 | -116.3 | -91.1 | 0 | 0 | 0 | 109.6 | E17 L79 | E17-D81 WeakPolarHBondContact OE1-CA 2.97Å; E17-D81 VanDerWaalsContact OE1-CG 3.32Å; L79-D81 HydrophobicContact CD2-CB 4.32Å; L79-D81 WeakPolarHBondContact CD2-OD2 3.46Å; L79-D81 PolarHBondContact O-N 2.69Å | ||
| 82 | P | 50.4 | Low | 52.5 | Low | 38 Ų | 38 | 87.4 Ų | 87.4 | 25% | 0.247 | 49% | 0.487 | C | S | . | . | trans | -84.3 | 153.5 | -157.4 | 35.1 | -25.9 | 0 | 0 | 0 | 109.2 | E17 R20 H84 | E17-P82 VanDerWaalsContact CD-CD 3.46Å; E17-P82 HydrophobicContact CG-CG 3.98Å; E17-P82 VanDerWaalsContact OE1-CD 3.31Å; E17-P82 WeakPolarHBondContact OE1-CD 3.47Å; E17-P82 WeakPolarHBondContact OE2-CG 3.31Å; R20-P82 HydrophobicContact CG-CG 3.83Å; R20-P82 VanDerWaalsContact NE-CG 3.31Å; P82-H84 PolarHBondContact O-N 3.24Å | ||
| 83 | C | 49.9 | Very low | 52.4 | Low | 116 Ų | 116 | 88.2 Ų | 88.2 | 78% | 0.784 | 50% | 0.504 | S | S | * | . | trans | -35.9 | 100.1 | 178.6 | -56 | 0 | 0 | 0 | 0 | 113.5 | V85 | C83-V85 PolarHBondContact O-N 3.27Š| ||
| 84 | H | 52.9 | Low | 52.5 | Low | 50 Ų | 50 | 85.9 Ų | 85.9 | 23% | 0.231 | 49% | 0.491 | C | S | . | . | trans | -68 | 123.9 | 166 | -68.9 | -78.9 | 0 | 0 | 0 | 108.2 | L72 P82 | L72-H84 WeakPolarHBondContact CB-O 3.23Å; L72-H84 HydrophobicContact CD1-CB 3.89Å; L72-H84 PolarHBondContact N-O 3.31Å; P82-H84 PolarHBondContact O-N 3.24Å | ||
| 85 | V | 54.9 | Low | 52.2 | Low | 49 Ų | 49 | 85.2 Ų | 85.2 | 30% | 0.297 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 124.1 | 178.2 | -177.2 | 0 | 0 | 0 | 0 | 108.1 | C83 F87 | C83-V85 PolarHBondContact O-N 3.27Å; V85-F87 HydrophobicContact CB-CE2 4.24Å; V85-F87 HydrophobicContact CG1-CD2 4.32Å; V85-F87 HydrophobicContact CG1-CE1 4.34Å; V85-F87 HydrophobicContact CG1-CE2 3.84Å; V85-F87 HydrophobicContact CG1-CZ 3.85Å |
| 86 | I | 59.8 | Low | 51.9 | Low | 30 Ų | 30 | 78.1 Ų | 78.1 | 15% | 0.154 | 49% | 0.489 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 133.7 | 170.2 | -61.9 | -174.1 | 0 | 0 | 0 | 108.2 | F23 L25 S69 Q70 L72 F88 | F23-I86 HydrophobicContact CB-CG1 4.48Å; L25-I86 HydrophobicContact CD1-CG2 3.64Å; S69-I86 WeakPolarHBondContact CA-O 3.37Å; Q70-I86 PolarHBondContact N-O 2.99Å; Q70-I86 PolarHBondContact O-N 2.93Å; L72-I86 HydrophobicContact CD1-CD1 3.83Å; L72-I86 HydrophobicContact CD1-CG1 3.79Å; L72-I86 HydrophobicContact CD2-CD1 3.77Å; L72-I86 HydrophobicContact CD2-CG1 4.12Å; L72-I86 HydrophobicContact CG-CD1 4.1Å; L72-I86 HydrophobicContact CG-CG1 3.97Å; I86-F88 HydrophobicContact CB-CE2 4.11Å; I86-F88 HydrophobicContact CG2-CD2 4.03Å; I86-F88 HydrophobicContact CG2-CE1 4.5Å; I86-F88 HydrophobicContact CG2-CE2 3.55Å; I86-F88 HydrophobicContact CG2-CZ 3.82Å |
| 87 | F | 64 | Low | 52.1 | Low | 44 Ų | 44 | 76.8 Ų | 76.8 | 19% | 0.193 | 49% | 0.485 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 130.5 | 170.9 | -66 | -87.2 | 0 | 0 | 0 | 110 | V22 F23 L24 L25 L67 K68 V85 | V22-F87 HydrophobicContact CG1-CD2 3.84Å; V22-F87 HydrophobicContact CG1-CE2 3.96Å; F23-F87 PolarHBondContact O-N 2.85Å; F23-F87 VanDerWaalsContact O-N 3.09Å; L24-F87 CarbonylContact C-O 3.56Å; L24-F87 WeakPolarHBondContact CA-O 3.46Å; L24-F87 HydrophobicContact CD2-CB 3.7Å; L24-F87 HydrophobicContact CD2-CG 4.49Å; L25-F87 PolarHBondContact N-O 2.85Å; L67-F87 HydrophobicContact CD1-CB 3.85Å; L67-F87 HydrophobicContact CD1-CD1 4.1Å; L67-F87 HydrophobicContact CD1-CG 4.35Å; L67-F87 HydrophobicContact CD2-CD1 3.93Å; L67-F87 HydrophobicContact CD2-CE1 4.35Å; L67-F87 HydrophobicContact CG-CD1 3.94Å; K68-F87 CarbonylContact O-C 3.53Å; K68-F87 WeakPolarHBondContact O-CA 3.43Å; V85-F87 HydrophobicContact CB-CE2 4.24Å; V85-F87 HydrophobicContact CG1-CD2 4.32Å; V85-F87 HydrophobicContact CG1-CE1 4.34Å; V85-F87 HydrophobicContact CG1-CE2 3.84Å; V85-F87 HydrophobicContact CG1-CZ 3.85Å |
| 88 | F | 63.3 | Low | 52 | Low | 37 Ų | 37 | 74.9 Ų | 74.9 | 16% | 0.162 | 48% | 0.479 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 130.8 | 174.3 | -63.1 | -99 | 0 | 0 | 0 | 108.3 | L25 L67 K68 Q70 I86 | L25-F88 HydrophobicContact CB-CD1 3.81Å; L25-F88 HydrophobicContact CB-CE1 4.15Å; L25-F88 HydrophobicContact CB-CG 4.48Å; L25-F88 HydrophobicContact CD2-CD1 4.06Å; L25-F88 HydrophobicContact CD2-CE1 3.58Å; L25-F88 HydrophobicContact CD2-CZ 4.41Å; L25-F88 HydrophobicContact CG-CD1 4.46Å; L25-F88 HydrophobicContact CG-CE1 4.31Å; L25-F88 WeakPolarHBondContact O-CA 3.5Å; L67-F88 WeakPolarHBondContact CA-O 2.94Å; K68-F88 HydrophobicContact CB-CB 4.37Å; K68-F88 PolarHBondContact N-O 2.76Å; K68-F88 PolarHBondContact O-N 2.96Å; Q70-F88 HydrophobicContact CB-CE2 4.18Å; Q70-F88 HydrophobicContact CG-CE2 4.15Å; I86-F88 HydrophobicContact CB-CE2 4.11Å; I86-F88 HydrophobicContact CG2-CD2 4.03Å; I86-F88 HydrophobicContact CG2-CE1 4.5Å; I86-F88 HydrophobicContact CG2-CE2 3.55Å; I86-F88 HydrophobicContact CG2-CZ 3.82Å |
| 89 | I | 61.2 | Low | 52.2 | Low | 7 Ų | 7 | 79.8 Ų | 79.8 | 4% | 0.036 | 48% | 0.48 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 114.7 | 175.4 | -55.8 | -179.4 | 0 | 0 | 0 | 107.7 | L24 L25 E27 L55 L59 Y65 E66 L67 | L24-I89 HydrophobicContact CD2-CD1 4.02Å; L24-I89 HydrophobicContact CD2-CG1 4.39Å; L25-I89 PolarHBondContact O-N 2.85Å; E27-I89 PolarHBondContact N-O 3.39Å; L55-I89 HydrophobicContact CD1-CD1 4.24Å; L59-I89 HydrophobicContact CD1-CD1 4.26Å; L59-I89 HydrophobicContact CD1-CG2 4.38Å; L59-I89 HydrophobicContact CD2-CD1 4.32Å; L59-I89 HydrophobicContact CD2-CG2 4.18Å; Y65-I89 HydrophobicContact CD1-CG2 3.63Å; Y65-I89 HydrophobicContact CG-CG2 3.9Å; E66-I89 WeakPolarHBondContact O-CA 3.43Å; L67-I89 HydrophobicContact CD1-CD1 4.44Å; L67-I89 HydrophobicContact CD1-CG1 3.74Å |
| 90 | T | 57 | Low | 52.3 | Low | 44 Ų | 44 | 75.6 Ų | 75.6 | 27% | 0.27 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 123.1 | 174.9 | -49.7 | 0 | 0 | 0 | 0 | 109.6 | Y65 E66 L92 | Y65-T90 WeakPolarHBondContact CA-O 3.3Å; E66-T90 PolarHBondContact N-O 2.9Å; E66-T90 PolarHBondContact O-N 3.26Å; T90-L92 PolarHBondContact O-N 3.08Å |
| 91 | G | 56.6 | Low | 52.8 | Low | 31 Ų | 31 | 75.5 Ų | 75.5 | 32% | 0.32 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 115.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 92 | L | 54.7 | Low | 52.9 | Low | 105 Ų | 105 | 76.7 Ų | 76.7 | 55% | 0.55 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 101.5 | 170.7 | -153.3 | 82.7 | 0 | 0 | 0 | 107.2 | F64 T90 A94 | F64-L92 HydrophobicContact CB-CB 4.2Å; F64-L92 WeakPolarHBondContact O-CA 3.38Å; F64-L92 PolarHBondContact O-N 2.84Å; T90-L92 PolarHBondContact O-N 3.08Å; L92-A94 PolarHBondContact O-N 2.74Å |
| 93 | A | 50.8 | Low | 53.1 | Low | 89 Ų | 89 | 80 Ų | 80 | 74% | 0.736 | 52% | 0.518 | S | S | * | . | trans | -58.1 | 112.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 108.2 | S95 | A93-S95 PolarHBondContact O-N 2.83Š| ||
| 94 | A | 48.3 | Very low | 53.4 | Low | 59 Ų | 59 | 78.1 Ų | 78.1 | 49% | 0.488 | 52% | 0.519 | S | S | . | . | trans | -61.6 | 103.9 | 169.7 | 0 | 0 | 0 | 0 | 0 | 107.3 | F64 L92 A96 | F64-A94 HydrophobicContact CD2-CB 3.79Å; F64-A94 HydrophobicContact CE2-CB 3.97Å; L92-A94 PolarHBondContact O-N 2.74Å; A94-A96 PolarHBondContact O-N 2.91Å | ||
| 95 | S | 46.4 | Very low | 53.6 | Low | 113 Ų | 113 | 81.5 Ų | 81.5 | 79% | 0.79 | 54% | 0.543 | S | S | * | . | trans | -70.8 | 78.7 | 161.1 | 176.6 | 0 | 0 | 0 | 0 | 106.6 | A93 A97 | A93-S95 PolarHBondContact O-N 2.83Å; S95-A97 PolarHBondContact O-N 2.88Å | ||
| 96 | A | 45.5 | Very low | 53.6 | Low | 89 Ų | 89 | 82.6 Ų | 82.6 | 74% | 0.736 | 56% | 0.564 | S | S | * | * | trans | -64.7 | 85.4 | 159.2 | 0 | 0 | 0 | 0 | 0 | 106.3 | A94 Y98 | A94-A96 PolarHBondContact O-N 2.91Å; A96-Y98 PolarHBondContact O-N 2.81Å | ||
| 97 | A | 47.6 | Very low | 53 | Low | 81 Ų | 81 | 90.9 Ų | 90.9 | 67% | 0.669 | 60% | 0.602 | S | S | * | * | trans | -62.9 | 93.2 | 157.2 | 0 | 0 | 0 | 0 | 0 | 105.2 | S95 E99 | S95-A97 PolarHBondContact O-N 2.88Å; A97-E99 PolarHBondContact O-N 2.96Å | ||
| 98 | Y | 42.8 | Very low | 52.1 | Low | 202 Ų | 202 | 96.8 Ų | 96.8 | 79% | 0.792 | 66% | 0.659 | S | S | * | * | trans | -65.2 | 93.5 | 168.7 | -169.9 | -96.8 | 0 | 0 | 0 | 106.5 | A96 G100 | A96-Y98 PolarHBondContact O-N 2.81Å; Y98-G100 VanDerWaalsContact C-N 3.28Å; Y98-G100 PolarHBondContact O-N 2.9Å | ||
| 99 | E | 53.5 | Low | 51.6 | Low | 185 Ų | 185 | 99.8 Ų | 99.8 | 86% | 0.864 | 68% | 0.684 | S | S | * | * | trans | -61.9 | 98 | 159.6 | -74.5 | -162.1 | 115.7 | 0 | 0 | 106.6 | A97 | A97-E99 PolarHBondContact O-N 2.96Š| ||
| 100 | G | 43.9 | Very low | 51 | Low | 50 Ų | 50 | 104.7 Ų | 104.7 | 52% | 0.515 | 72% | 0.718 | S | S | . | * | P | Polyproline II helix | trans | -60.6 | 134.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110 | Y98 | Y98-G100 VanDerWaalsContact C-N 3.28Å; Y98-G100 PolarHBondContact O-N 2.9Å |
| 101 | P | 53.2 | Low | 50.7 | Low | 113 Ų | 113 | 108.1 Ų | 108.1 | 73% | 0.734 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -67 | 143.1 | 178.1 | 28 | -32.2 | 0 | 0 | 0 | 110.3 | ||
| 102 | G | 55.2 | Low | 50.4 | Low | 78 Ų | 78 | 112.6 Ų | 112.6 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 139.8 | -166.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | G104 | G102-G104 PolarHBondContact O-N 3.48Š|
| 103 | S | 54 | Low | 50.1 | Low | 108 Ų | 108 | 113.1 Ų | 113.1 | 76% | 0.755 | 78% | 0.781 | S | S | * | * | trans | -88.7 | 82 | 159 | 177.1 | 0 | 0 | 0 | 0 | 109 | T105 | S103-T105 PolarHBondContact O-N 3.35Š| ||
| 104 | G | 56.5 | Low | 50 | Low | 77 Ų | 77 | 114.7 Ų | 114.7 | 79% | 0.794 | 79% | 0.785 | S | S | * | * | trans | -76.4 | 108 | 155.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | G102 | G102-G104 PolarHBondContact O-N 3.48Š| ||
| 105 | T | 56.3 | Low | 50.2 | Low | 121 Ų | 121 | 118.6 Ų | 118.6 | 74% | 0.742 | 81% | 0.806 | S | S | * | * | trans | -144.9 | 107.4 | 160 | 54 | 0 | 0 | 0 | 0 | 103.9 | S103 | S103-T105 PolarHBondContact O-N 3.35Š| ||
| 106 | G | 55.3 | Low | 50.5 | Low | 72 Ų | 72 | 119.1 Ų | 119.1 | 74% | 0.742 | 81% | 0.807 | S | S | * | * | cis | 89.4 | 94 | 44.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 107 | E | 46.3 | Very low | 50.9 | Low | 204 Ų | 204 | 121.6 Ų | 121.6 | 95% | 0.953 | 81% | 0.813 | S | S | * | * | trans | 59 | 145.6 | 165 | -73.5 | -176.5 | 79.2 | 0 | 0 | 118 | ||||
| 108 | A | 45.9 | Very low | 51.2 | Low | 168 Ų | 168 | 125.3 Ų | 125.3 | 100% | 1.388 | 83% | 0.826 | S | S | * | * | cis | -146.4 | 0 | 15.8 | 0 | 0 | 0 | 0 | 0 | 111.4 |
Retrieved 108 of 108 residues in 49.8 ms
(Link to these results)