| 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 | I | 36.6 | Very low | 34.9 | Very low | 228 Ų | 228 | 139.9 Ų | 139.9 | 100% | 1.169 | 80% | 0.803 | S | S | * | * | 0 | 124.7 | 0 | -69.6 | 168.9 | 0 | 0 | 0 | 106.3 | |||||
| 2 | Q | 36.2 | Very low | 34.9 | Very low | 175 Ų | 175 | 143.6 Ų | 143.6 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | trans | -52.3 | 154.6 | -173 | -87.2 | 152.7 | -59.7 | 0 | 0 | 113.9 | ||||
| 3 | T | 32.2 | Very low | 35.5 | Very low | 130 Ų | 130 | 140.8 Ų | 140.8 | 80% | 0.798 | 81% | 0.814 | S | S | * | * | 166.1 | 129.4 | 108.1 | 38.8 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 4 | S | 33.2 | Very low | 35.7 | Very low | 110 Ų | 110 | 144 Ų | 144 | 77% | 0.769 | 82% | 0.821 | S | S | * | * | 70.1 | 139.8 | 105.2 | -157.3 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 5 | S | 34.7 | Very low | 36.2 | Very low | 91 Ų | 91 | 139.7 Ų | 139.7 | 64% | 0.636 | 82% | 0.821 | S | S | * | * | cis | 180 | 145.4 | 0.1 | 34.8 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 6 | S | 33.9 | Very low | 36.5 | Very low | 103 Ų | 103 | 139.3 Ų | 139.3 | 72% | 0.72 | 82% | 0.82 | S | S | * | * | trans | 39.5 | 124 | 147.8 | 61 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 7 | Q | 34.8 | Very low | 36.9 | Very low | 175 Ų | 175 | 137.6 Ų | 137.6 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | -178.4 | 131.1 | 122.2 | -103.3 | 175 | -26.6 | 0 | 0 | 114.1 | |||||
| 8 | T | 31.5 | Very low | 37.3 | Very low | 122 Ų | 122 | 143.5 Ų | 143.5 | 75% | 0.748 | 82% | 0.821 | S | S | * | * | trans | 60.6 | 105.1 | 140.2 | 54 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 9 | S | 31 | Very low | 38.1 | Very low | 113 Ų | 113 | 142.9 Ų | 142.9 | 79% | 0.79 | 81% | 0.813 | S | S | * | * | 27.4 | 161.3 | 118.6 | -150.5 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 10 | P | 46.5 | Very low | 38.8 | Very low | 111 Ų | 111 | 144.9 Ų | 144.9 | 72% | 0.721 | 82% | 0.815 | S | S | * | * | cis | -129.7 | -156.8 | -25.2 | 25.2 | 0.5 | 0 | 0 | 0 | 112.1 | ||||
| 11 | E | 33.9 | Very low | 39.2 | Very low | 181 Ų | 181 | 145.7 Ų | 145.7 | 85% | 0.846 | 81% | 0.812 | S | S | * | * | trans | 83.6 | 125.6 | 179 | -87.9 | 174.3 | 97.3 | 0 | 0 | 114.3 | ||||
| 12 | E | 33.9 | Very low | 39.9 | Very low | 184 Ų | 184 | 141.9 Ų | 141.9 | 86% | 0.86 | 79% | 0.793 | S | S | * | * | cis | -142.7 | 157.2 | 34.1 | -69.7 | -179.4 | 116.2 | 0 | 0 | 112.7 | ||||
| 13 | A | 42.8 | Very low | 40.8 | Very low | 108 Ų | 108 | 140.5 Ų | 140.5 | 89% | 0.893 | 79% | 0.791 | S | S | * | * | trans | -70.8 | 132.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 14 | M | 38.5 | Very low | 42.1 | Very low | 185 Ų | 185 | 140.3 Ų | 140.3 | 91% | 0.911 | 78% | 0.784 | S | S | * | * | trans | -132.6 | 119.3 | 163 | -163.8 | 116.5 | 139.7 | 0 | 0 | 108.2 | ||||
| 15 | G | 43.4 | Very low | 43.1 | Very low | 79 Ų | 79 | 141.9 Ų | 141.9 | 81% | 0.814 | 78% | 0.782 | S | S | * | * | trans | -59.6 | 140.5 | -170.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 16 | T | 40.5 | Very low | 44.2 | Very low | 133 Ų | 133 | 144.6 Ų | 144.6 | 82% | 0.816 | 79% | 0.789 | S | S | * | * | trans | -107 | 143.5 | 168.4 | 28.6 | 0 | 0 | 0 | 0 | 109.5 | R18 | T16-R18 PolarHBondContact O-N 3.03Š| ||
| 17 | P | 44.7 | Very low | 45.4 | Very low | 112 Ų | 112 | 145.5 Ų | 145.5 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | trans | -73.9 | 127.7 | 179.5 | 30.8 | -30.7 | 0 | 0 | 0 | 109.2 | I19 | P17-I19 PolarHBondContact O-N 3Š| ||
| 18 | R | 43.1 | Very low | 46.6 | Very low | 243 Ų | 243 | 144.8 Ų | 144.8 | 92% | 0.917 | 79% | 0.791 | S | S | * | * | trans | -66.1 | 98.2 | 167.3 | -97.9 | -177.1 | 170.4 | 169.5 | -2.3 | 108.7 | T16 Q20 | T16-R18 PolarHBondContact O-N 3.03Å; R18-Q20 PolarHBondContact O-N 3.2Å | ||
| 19 | I | 52.8 | Low | 47.9 | Very low | 132 Ų | 132 | 141 Ų | 141 | 68% | 0.677 | 78% | 0.776 | S | S | * | * | trans | -74.2 | 100.9 | 160.8 | -63.7 | 170.2 | 0 | 0 | 0 | 106.1 | P17 H21 | P17-I19 PolarHBondContact O-N 3Å; I19-H21 VanDerWaalsContact C-N 3.35Å; I19-H21 PolarHBondContact O-N 3Å | ||
| 20 | Q | 52.3 | Low | 49.3 | Very low | 183 Ų | 183 | 140.7 Ų | 140.7 | 86% | 0.855 | 77% | 0.771 | S | S | * | * | trans | -67.3 | 96.9 | 166.6 | -91.5 | 178.3 | -40.9 | 0 | 0 | 108 | R18 L22 | R18-Q20 PolarHBondContact O-N 3.2Å; Q20-L22 PolarHBondContact O-N 3.43Å | ||
| 21 | H | 46.2 | Very low | 49.7 | Very low | 161 Ų | 161 | 140.6 Ų | 140.6 | 75% | 0.745 | 77% | 0.773 | S | S | * | * | trans | -65.2 | 101.1 | 160.9 | -88.6 | -76.9 | 0 | 0 | 0 | 108 | I19 L23 | I19-H21 VanDerWaalsContact C-N 3.35Å; I19-H21 PolarHBondContact O-N 3Å; H21-L23 PolarHBondContact O-N 3.06Å | ||
| 22 | L | 52.9 | Low | 50.5 | Low | 148 Ų | 148 | 138.4 Ų | 138.4 | 78% | 0.775 | 77% | 0.767 | S | S | * | * | trans | -68.5 | 95.2 | 166.8 | -164.7 | 77.8 | 0 | 0 | 0 | 107.4 | Q20 I24 | Q20-L22 PolarHBondContact O-N 3.43Å; L22-I24 HydrophobicContact CD2-CD1 4.06Å; L22-I24 HydrophobicContact CD2-CG1 3.91Å; L22-I24 HydrophobicContact CG-CG1 4.14Å; L22-I24 PolarHBondContact O-N 3.03Å | ||
| 23 | L | 53.7 | Low | 51.2 | Low | 147 Ų | 147 | 136.4 Ų | 136.4 | 77% | 0.77 | 76% | 0.761 | S | S | * | * | trans | -70.6 | 96.2 | 166.9 | -109.2 | 106.1 | 0 | 0 | 0 | 107.8 | H21 L25 | H21-L23 PolarHBondContact O-N 3.06Å; L23-L25 PolarHBondContact O-N 3.18Å | ||
| 24 | I | 59.5 | Low | 51.6 | Low | 126 Ų | 126 | 137 Ų | 137 | 65% | 0.646 | 75% | 0.754 | S | S | * | * | trans | -77.8 | 96.1 | 165.4 | -58.4 | 172.1 | 0 | 0 | 0 | 106.2 | L22 L26 | L22-I24 HydrophobicContact CD2-CD1 4.06Å; L22-I24 HydrophobicContact CD2-CG1 3.91Å; L22-I24 HydrophobicContact CG-CG1 4.14Å; L22-I24 PolarHBondContact O-N 3.03Å; I24-L26 VanDerWaalsContact C-N 3.32Å; I24-L26 HydrophobicContact CG2-CG 4.35Å; I24-L26 PolarHBondContact O-N 2.81Å | ||
| 25 | L | 55.6 | Low | 52.3 | Low | 142 Ų | 142 | 132.3 Ų | 132.3 | 74% | 0.743 | 74% | 0.739 | S | S | * | * | trans | -68.6 | 92.5 | 165.7 | -89.6 | 150.3 | 0 | 0 | 0 | 108.1 | L23 V27 | L23-L25 PolarHBondContact O-N 3.18Å; L25-V27 VanDerWaalsContact C-N 3.26Å; L25-V27 PolarHBondContact O-N 2.83Å | ||
| 26 | L | 57.6 | Low | 53 | Low | 149 Ų | 149 | 131.2 Ų | 131.2 | 78% | 0.78 | 73% | 0.728 | S | S | * | * | trans | -68.9 | 91.1 | 161.6 | -86.1 | 158.8 | 0 | 0 | 0 | 107.5 | I24 L28 | I24-L26 VanDerWaalsContact C-N 3.32Å; I24-L26 HydrophobicContact CG2-CG 4.35Å; I24-L26 PolarHBondContact O-N 2.81Å; L26-L28 PolarHBondContact O-N 2.87Å | ||
| 27 | V | 58.9 | Low | 54.4 | Low | 122 Ų | 122 | 132.6 Ų | 132.6 | 74% | 0.739 | 73% | 0.729 | S | S | * | * | trans | -71 | 88.2 | 164.3 | -173.6 | 0 | 0 | 0 | 0 | 106.2 | L25 G29 | L25-V27 VanDerWaalsContact C-N 3.26Å; L25-V27 PolarHBondContact O-N 2.83Å; V27-G29 PolarHBondContact O-N 2.95Å | ||
| 28 | L | 60.1 | Low | 56.5 | Low | 160 Ų | 160 | 132.5 Ų | 132.5 | 84% | 0.838 | 72% | 0.719 | S | S | * | * | trans | -64.1 | 87.2 | 154.8 | -78.6 | 159.7 | 0 | 0 | 0 | 105.3 | L26 | L26-L28 PolarHBondContact O-N 2.87Š| ||
| 29 | G | 58.2 | Low | 59 | Low | 42 Ų | 42 | 121.8 Ų | 121.8 | 43% | 0.433 | 68% | 0.68 | S | S | . | * | trans | -53.6 | 126.2 | 166.2 | 0 | 0 | 0 | 0 | 0 | 106.2 | V27 S31 | V27-G29 PolarHBondContact O-N 2.95Å; G29-S31 VanDerWaalsContact C-N 3.33Å; G29-S31 PolarHBondContact O-N 2.99Å | ||
| 30 | P | 59.8 | Low | 61.1 | Low | 107 Ų | 107 | 119.1 Ų | 119.1 | 70% | 0.695 | 66% | 0.662 | S | S | * | * | trans | -58.3 | 109.9 | 170 | 23.1 | -28.6 | 0 | 0 | 0 | 105.1 | L32 | P30-L32 HydrophobicContact CB-CD1 4.14Å; P30-L32 HydrophobicContact CG-CD1 4.07Å; P30-L32 PolarHBondContact O-N 3.01Å | ||
| 31 | S | 55 | Low | 63.2 | Low | 109 Ų | 109 | 110.4 Ų | 110.4 | 76% | 0.762 | 62% | 0.621 | S | S | * | * | trans | -60.2 | 87.8 | 159.4 | -57.9 | 0 | 0 | 0 | 0 | 104.3 | G29 L33 | G29-S31 VanDerWaalsContact C-N 3.33Å; G29-S31 PolarHBondContact O-N 2.99Å; S31-L33 PolarHBondContact O-N 2.75Å | ||
| 32 | L | 51.7 | Low | 65.7 | Low | 134 Ų | 134 | 104.4 Ų | 104.4 | 70% | 0.702 | 59% | 0.594 | S | S | * | * | trans | -62 | 86.2 | 156.6 | -83.2 | 94.2 | 0 | 0 | 0 | 103.7 | P30 T34 | P30-L32 HydrophobicContact CB-CD1 4.14Å; P30-L32 HydrophobicContact CG-CD1 4.07Å; P30-L32 PolarHBondContact O-N 3.01Å; L32-T34 PolarHBondContact O-N 2.81Å | ||
| 33 | L | 48.8 | Very low | 67.8 | Low | 142 Ų | 142 | 101.3 Ų | 101.3 | 74% | 0.743 | 57% | 0.574 | S | S | * | * | trans | -58.1 | 87.4 | 151.5 | -73.4 | 162.1 | 0 | 0 | 0 | 103.9 | S31 S35 | S31-L33 PolarHBondContact O-N 2.75Å; L33-S35 PolarHBondContact O-N 3.31Å | ||
| 34 | T | 50.5 | Low | 69.8 | Low | 122 Ų | 122 | 95.2 Ų | 95.2 | 75% | 0.748 | 55% | 0.547 | S | S | * | . | trans | -68.3 | 67.6 | 151.9 | 51.2 | 0 | 0 | 0 | 0 | 105.7 | L32 G36 | L32-T34 PolarHBondContact O-N 2.81Å; T34-G36 PolarHBondContact O-N 2.77Å | ||
| 35 | S | 53.3 | Low | 71.4 | Confident | 86 Ų | 86 | 93.5 Ų | 93.5 | 60% | 0.601 | 54% | 0.538 | S | S | * | . | trans | -58.6 | 91.8 | 150.6 | -58.9 | 0 | 0 | 0 | 0 | 102.9 | L33 L37 | L33-S35 PolarHBondContact O-N 3.31Å; S35-L37 VanDerWaalsContact C-N 3.35Å; S35-L37 PolarHBondContact O-N 3.2Å | ||
| 36 | G | 58.3 | Low | 73.2 | Confident | 55 Ų | 55 | 88.4 Ų | 88.4 | 57% | 0.567 | 52% | 0.515 | S | S | * | . | trans | -51.8 | 112.2 | 166.8 | 0 | 0 | 0 | 0 | 0 | 104.3 | T34 E38 | T34-G36 PolarHBondContact O-N 2.77Å; G36-E38 PolarHBondContact O-N 2.73Å; G36-E38 VanDerWaalsContact O-N 3.12Å | ||
| 37 | L | 69.9 | Low | 75 | Confident | 162 Ų | 162 | 84.7 Ų | 84.7 | 85% | 0.848 | 49% | 0.494 | S | S | * | . | P | Polyproline II helix | trans | -55.4 | 126.6 | -179 | -93.5 | 103.3 | 0 | 0 | 0 | 106.2 | S35 L39 | S35-L37 VanDerWaalsContact C-N 3.35Å; S35-L37 PolarHBondContact O-N 3.2Å; L37-L39 PolarHBondContact O-N 2.89Å |
| 38 | E | 88 | Confident | 76.6 | Confident | 110 Ų | 110 | 80.7 Ų | 80.7 | 51% | 0.514 | 47% | 0.47 | S | S | . | . | P | Polyproline II helix | trans | -62 | 119 | 173.1 | -171 | 168.2 | -149 | 0 | 0 | 106.9 | G36 Y40 T66 | G36-E38 PolarHBondContact O-N 2.73Å; G36-E38 VanDerWaalsContact O-N 3.12Å; E38-Y40 HydrophobicContact CB-CE2 3.98Å; E38-Y40 VanDerWaalsContact CD-OH 3.25Å; E38-Y40 HydrophobicContact CG-CE2 3.97Å; E38-Y40 VanDerWaalsContact O-CD2 3.26Å; E38-Y40 WeakPolarHBondContact O-CD2 3.36Å; E38-Y40 VanDerWaalsContact O-CE2 3.29Å; E38-Y40 WeakPolarHBondContact O-CE2 3.3Å; E38-Y40 PolarHBondContact OE2-OH 3.12Å; E38-T66 HydrophobicContact CG-CG2 3.48Å; E38-T66 VanDerWaalsContact CG-CG2 3.48Å; E38-T66 VanDerWaalsContact OE1-CG2 3.3Å; E38-T66 WeakPolarHBondContact OE1-CG2 3.08Å |
| 39 | L | 95.4 | Very high | 78.3 | Confident | 19 Ų | 19 | 75.6 Ų | 75.6 | 10% | 0.099 | 45% | 0.445 | C | S | . | . | P | Polyproline II helix | trans | -86.1 | 131 | -177.1 | 178.7 | 66.2 | 0 | 0 | 0 | 108.9 | L37 C67 A71 E123 | L37-L39 PolarHBondContact O-N 2.89Å; L39-C67 HydrophobicContact CB-CB 4.11Å; L39-C67 HydrophobicContact CD2-CB 4.17Å; L39-C67 HydrophobicContact CG-CB 4.28Å; L39-C67 PolarHBondContact O-N 2.56Å; L39-A71 WeakPolarHBondContact CD2-O 3.23Å; L39-E123 WeakPolarHBondContact CD1-O 2.96Å |
| 40 | Y | 97 | Very high | 79.7 | Confident | 76 Ų | 76 | 75.9 Ų | 75.9 | 30% | 0.298 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 132 | 176.1 | -61.7 | -90.8 | 0 | 0 | 0 | 109.6 | E38 V64 E65 T66 S125 F126 | E38-Y40 HydrophobicContact CB-CE2 3.98Å; E38-Y40 VanDerWaalsContact CD-OH 3.25Å; E38-Y40 HydrophobicContact CG-CE2 3.97Å; E38-Y40 VanDerWaalsContact O-CD2 3.26Å; E38-Y40 WeakPolarHBondContact O-CD2 3.36Å; E38-Y40 VanDerWaalsContact O-CE2 3.29Å; E38-Y40 WeakPolarHBondContact O-CE2 3.3Å; E38-Y40 PolarHBondContact OE2-OH 3.12Å; Y40-V64 HydrophobicContact CD1-CG1 4.19Å; Y40-E65 WeakPolarHBondContact CA-O 3.13Å; Y40-T66 WeakPolarHBondContact CE1-OG1 2.99Å; Y40-S125 PolarHBondContact N-OG 2.82Å; Y40-S125 CarbonylContact O-C 3.54Å; Y40-S125 VanDerWaalsContact O-CA 3.27Å; Y40-S125 WeakPolarHBondContact O-CA 3.03Å; Y40-F126 VanDerWaalsContact CB-CZ 3.48Å; Y40-F126 HydrophobicContact CG-CE2 4.47Å; Y40-F126 HydrophobicContact CG-CZ 4.05Å; Y40-F126 PolarHBondContact O-N 2.7Å |
| 41 | C | 97.8 | Very high | 80.7 | Confident | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 148.3 | 178.4 | -57.9 | 0 | 0 | 0 | 0 | 110.8 | K43 V64 E65 C67 C73 | C41-K43 PolarHBondContact O-N 2.03Å; C41-V64 WeakPolarHBondContact O-CA 3.21Å; C41-E65 PolarHBondContact N-O 3.13Å; C41-E65 PolarHBondContact O-N 3.02Å; C41-C67 PolarHBondContact SG-SG 2.86Å; C41-C73 VanDerWaalsContact CA-SG 3.52Å; C41-C73 HydrophobicContact CB-CB 3.79Å; C41-C73 WeakPolarHBondContact CB-SG 3.49Å; C41-C73 WeakPolarHBondContact SG-CA 3.32Å; C41-C73 WeakPolarHBondContact SG-CB 3.22Å; C41-C73 CovalentContact SG-SG 2.02Å; C41-C73 PolarHBondContact SG-SG 3.32Å |
| 42 | Q | 97.8 | Very high | 81.5 | Confident | 35 Ų | 35 | 71.5 Ų | 71.5 | 16% | 0.164 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.4 | 135.5 | 164.5 | -70.9 | -167.7 | 9.7 | 0 | 0 | 109 | T61 K92 G93 N128 | Q42-T61 HydrophobicContact CB-CG2 3.57Å; Q42-T61 HydrophobicContact CG-CG2 4.12Å; Q42-K92 HydrophobicContact CB-CB 4.43Å; Q42-K92 HydrophobicContact CB-CD 3.9Å; Q42-K92 CarbonylContact O-C 3.55Å; Q42-K92 VanDerWaalsContact O-C 3.31Å; Q42-K92 VanDerWaalsContact O-CB 3.25Å; Q42-K92 WeakPolarHBondContact O-CB 3.48Å; Q42-G93 WeakPolarHBondContact O-CA 3.29Å; Q42-G93 PolarHBondContact O-N 3.02Å; Q42-G93 VanDerWaalsContact O-N 3.13Å; Q42-N128 WeakPolarHBondContact CB-OD1 3.47Å; Q42-N128 VanDerWaalsContact CD-O 3.31Å; Q42-N128 PolarHBondContact N-OD1 2.71Å; Q42-N128 PolarHBondContact O-ND2 2.82Å; Q42-N128 PolarHBondContact OE1-O 2.83Å; Q42-N128 VanDerWaalsContact OE1-O 3.08Å |
| 43 | K | 97 | Very high | 82.3 | Confident | 83 Ų | 83 | 65.2 Ų | 65.2 | 36% | 0.361 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 133.2 | -180 | -172.2 | -170 | -173.3 | 119.8 | 0 | 109.4 | C41 T61 E63 E65 K92 | C41-K43 PolarHBondContact O-N 2.03Å; K43-T61 VanDerWaalsContact O-CB 3.29Å; K43-T61 WeakPolarHBondContact O-CB 3.02Å; K43-T61 VanDerWaalsContact O-CG2 3.23Å; K43-T61 WeakPolarHBondContact O-CG2 3.39Å; K43-T61 PolarHBondContact O-OG1 3.16Å; K43-E63 HydrophobicContact CB-CB 4.06Å; K43-E63 PolarHBondContact N-O 2.81Å; K43-E65 HydrophobicContact CB-CB 4.36Å; K43-E65 HydrophobicContact CB-CG 3.99Å; K43-E65 HydrophobicContact CD-CB 4.21Å; K43-E65 HydrophobicContact CD-CG 4.34Å; K43-E65 WeakPolarHBondContact CD-OE2 3.35Å; K43-E65 WeakPolarHBondContact CE-OE2 3.29Å; K43-E65 HydrophobicContact CG-CG 4.25Å; K43-E65 IonicContact NZ-OE2 2.7Å; K43-E65 PolarHBondContact NZ-OE2 2.85Å; K43-K92 WeakPolarHBondContact CA-O 3.24Å |
| 44 | G | 94.9 | Very high | 83.2 | Confident | 19 Ų | 19 | 59.3 Ų | 59.3 | 20% | 0.196 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -174.8 | 154 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | M91 K92 | G44-M91 CarbonylContact O-C 3.48Å; G44-M91 VanDerWaalsContact O-CA 3.24Å; G44-M91 WeakPolarHBondContact O-CA 3.36Å; G44-K92 PolarHBondContact N-O 2.97Å; G44-K92 PolarHBondContact O-N 2.01Å |
| 45 | L | 94.6 | Very high | 84.1 | Confident | 90 Ų | 90 | 59.9 Ų | 59.9 | 47% | 0.471 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 126.7 | 176.6 | -168.2 | 67.7 | 0 | 0 | 0 | 109 | M91 G188 I189 | L45-M91 HydrophobicContact CD1-CB 3.88Å; L45-G188 WeakPolarHBondContact CD2-O 3.24Å; L45-I189 HydrophobicContact CD1-CD1 3.96Å; L45-I189 HydrophobicContact CD1-CG1 3.4Å; L45-I189 HydrophobicContact CG-CG1 4.37Å |
| 46 | S | 93.2 | Very high | 84.8 | Confident | 35 Ų | 35 | 61.3 Ų | 61.3 | 25% | 0.245 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 134 | 178.8 | -172.7 | 0 | 0 | 0 | 0 | 110.8 | A90 | S46-A90 PolarHBondContact N-O 2.95Å; S46-A90 PolarHBondContact O-N 2.84Å |
| 47 | M | 94.6 | Very high | 85.8 | Confident | 71 Ų | 71 | 59.6 Ų | 59.6 | 35% | 0.35 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 107.3 | 173.3 | -65.7 | -179.4 | -71.5 | 0 | 0 | 107.9 | I88 L89 L159 I189 | M47-I88 WeakPolarHBondContact CA-O 3.26Å; M47-L89 HydrophobicContact CG-CD2 4.26Å; M47-L89 HydrophobicContact CG-CG 4.33Å; M47-L89 HydrophobicContact SD-CD2 4.34Å; M47-L159 HydrophobicContact CB-CD1 3.88Å; M47-L159 HydrophobicContact CB-CD2 4.4Å; M47-L159 WeakPolarHBondContact O-CD1 3.32Å; M47-I189 HydrophobicContact CG-CD1 4.46Å; M47-I189 HydrophobicContact SD-CG1 4.46Å; M47-I189 HydrophobicContact SD-CG2 3.91Å |
| 48 | T | 93.8 | Very high | 86.3 | Confident | 38 Ų | 38 | 57 Ų | 57 | 23% | 0.233 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 165 | -177.6 | 63.1 | 0 | 0 | 0 | 0 | 111.6 | E50 A87 I88 | T48-E50 WeakPolarHBondContact CB-OE1 3.34Å; T48-E50 PolarHBondContact OG1-OE1 3.27Å; T48-A87 CarbonylContact O-C 3.6Å; T48-A87 WeakPolarHBondContact O-CA 3.23Å; T48-I88 PolarHBondContact N-O 2.94Å; T48-I88 PolarHBondContact O-N 2.86Å |
| 49 | V | 93.9 | Very high | 86.3 | Confident | 53 Ų | 53 | 52.4 Ų | 52.4 | 32% | 0.321 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 116.3 | 167.5 | -177.5 | 0 | 0 | 0 | 0 | 107 | E85 T86 A87 V157 L159 | V49-E85 HydrophobicContact CG1-CB 4.14Å; V49-T86 CarbonylContact C-O 3.58Å; V49-T86 VanDerWaalsContact CA-O 3.31Å; V49-T86 WeakPolarHBondContact CA-O 3.44Å; V49-A87 HydrophobicContact CG2-CB 4.26Å; V49-V157 HydrophobicContact CG1-CG1 4.26Å; V49-L159 HydrophobicContact CG2-CG 4Å |
| 50 | E | 88 | Confident | 85.7 | Confident | 47 Ų | 47 | 55.5 Ų | 55.5 | 22% | 0.22 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 144.5 | -173.7 | -61.1 | -61 | 158.8 | 0 | 0 | 110.7 | T48 P53 E85 T86 I88 | T48-E50 WeakPolarHBondContact CB-OE1 3.34Å; T48-E50 PolarHBondContact OG1-OE1 3.27Å; E50-P53 HydrophobicContact CB-CG 4.26Å; E50-E85 CarbonylContact O-C 3.53Å; E50-T86 PolarHBondContact N-O 3.41Å; E50-T86 PolarHBondContact O-N 3.44Å; E50-I88 HydrophobicContact CB-CD1 4.23Å; E50-I88 HydrophobicContact CG-CD1 3.87Å |
| 51 | A | 81.4 | Confident | 85.1 | Confident | 68 Ų | 68 | 53.7 Ų | 53.7 | 56% | 0.562 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -75.2 | -37 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | T84 | A51-T84 CarbonylContact C-O 3.53Å; A51-T84 VanDerWaalsContact CA-O 3.24Å; A51-T84 WeakPolarHBondContact CA-O 3.5Å |
| 52 | D | 71.1 | Confident | 84.3 | Confident | 57 Ų | 57 | 63 Ų | 63 | 31% | 0.305 | 35% | 0.345 | S | S | . | . | trans | -136.8 | 80.3 | -179.5 | -173 | 8.4 | 0 | 0 | 0 | 112.4 | A54 N55 M56 | D52-A54 VanDerWaalsContact C-N 3.3Å; D52-A54 PolarHBondContact O-N 3.44Å; D52-N55 PolarHBondContact O-N 2.94Å; D52-N55 PolarHBondContact OD2-ND2 2.95Å; D52-M56 HydrophobicContact CB-CG 4.44Å; D52-M56 HydrophobicContact CB-SD 4.03Å; D52-M56 WeakPolarHBondContact O-CB 3.36Å; D52-M56 VanDerWaalsContact O-CG 3.26Å; D52-M56 WeakPolarHBondContact O-CG 3.39Å; D52-M56 PolarHBondContact O-N 3.25Å | ||
| 53 | P | 69.8 | Low | 84.1 | Confident | 1 Ų | 1 | 67.2 Ų | 67.2 | 1% | 0.006 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -57 | -38.4 | -178 | -25.7 | 33.6 | 0 | 0 | 0 | 114.5 | E50 N55 M56 F57 T86 I88 W137 | E50-P53 HydrophobicContact CB-CG 4.26Å; P53-N55 PolarHBondContact O-N 3.38Å; P53-M56 PolarHBondContact O-N 3.16Å; P53-F57 VanDerWaalsContact O-CB 3.24Å; P53-F57 WeakPolarHBondContact O-CB 3.08Å; P53-F57 PolarHBondContact O-N 2.99Å; P53-T86 HydrophobicContact CG-CG2 3.69Å; P53-T86 WeakPolarHBondContact CG-OG1 3.21Å; P53-I88 HydrophobicContact CB-CD1 3.63Å; P53-I88 HydrophobicContact CB-CG1 4.42Å; P53-I88 HydrophobicContact CG-CD1 3.97Å; P53-I88 HydrophobicContact CG-CG1 4.42Å; P53-W137 HydrophobicContact CG-CH2 3.94Å; P53-W137 HydrophobicContact CG-CZ2 4.19Å; P53-W137 HydrophobicContact CG-CZ3 4.24Å |
| 54 | A | 66.9 | Low | 84.1 | Confident | 18 Ų | 18 | 66.9 Ų | 66.9 | 15% | 0.149 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -64.1 | -31.2 | -170 | 0 | 0 | 0 | 0 | 0 | 112.3 | D52 W137 | D52-A54 VanDerWaalsContact C-N 3.3Å; D52-A54 PolarHBondContact O-N 3.44Å; A54-W137 HydrophobicContact CB-CB 3.82Å; A54-W137 HydrophobicContact CB-CD2 4.49Å; A54-W137 HydrophobicContact CB-CG 3.68Å |
| 55 | N | 68.5 | Low | 84.2 | Confident | 134 Ų | 134 | 68.1 Ų | 68.1 | 72% | 0.717 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -104.6 | -22.2 | -179.1 | -62.3 | -50.3 | 0 | 0 | 0 | 112.9 | D52 P53 | D52-N55 PolarHBondContact O-N 2.94Å; D52-N55 PolarHBondContact OD2-ND2 2.95Å; P53-N55 PolarHBondContact O-N 3.38Å |
| 56 | M | 69.4 | Low | 84.3 | Confident | 116 Ų | 116 | 67.4 Ų | 67.4 | 57% | 0.571 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -106.2 | -24.7 | -171.3 | -61 | 176.6 | 56.1 | 0 | 0 | 114.1 | D52 P53 N58 | D52-M56 HydrophobicContact CB-CG 4.44Å; D52-M56 HydrophobicContact CB-SD 4.03Å; D52-M56 WeakPolarHBondContact O-CB 3.36Å; D52-M56 VanDerWaalsContact O-CG 3.26Å; D52-M56 WeakPolarHBondContact O-CG 3.39Å; D52-M56 PolarHBondContact O-N 3.25Å; P53-M56 PolarHBondContact O-N 3.16Å; M56-N58 PolarHBondContact O-N 2.95Å |
| 57 | F | 78.7 | Confident | 84.4 | Confident | 20 Ų | 20 | 66.4 Ų | 66.4 | 9% | 0.088 | 36% | 0.362 | C | S | . | . | trans | -85.8 | 108.3 | -175.9 | -169.1 | -98.7 | 0 | 0 | 0 | 111.2 | P53 W59 I88 A90 L133 | P53-F57 VanDerWaalsContact O-CB 3.24Å; P53-F57 WeakPolarHBondContact O-CB 3.08Å; P53-F57 PolarHBondContact O-N 2.99Å; F57-W59 HydrophobicContact CD1-CB 4.04Å; F57-W59 HydrophobicContact CD1-CG 4.48Å; F57-W59 HydrophobicContact CE1-CB 3.57Å; F57-W59 AromaticContact CE1-CD1 3.91Å; F57-W59 HydrophobicContact CE1-CD2 4.17Å; F57-W59 AromaticContact CE1-CG 3.58Å; F57-W59 HydrophobicContact CE1-CG 3.58Å; F57-W59 HydrophobicContact CZ-CG 4.33Å; F57-I88 HydrophobicContact CB-CD1 3.94Å; F57-I88 HydrophobicContact CD2-CD1 3.59Å; F57-I88 HydrophobicContact CD2-CG2 4.25Å; F57-I88 HydrophobicContact CE1-CG2 4.24Å; F57-I88 HydrophobicContact CE2-CB 4.44Å; F57-I88 HydrophobicContact CE2-CD1 4.25Å; F57-I88 HydrophobicContact CE2-CG2 3.9Å; F57-I88 HydrophobicContact CG-CD1 3.81Å; F57-I88 HydrophobicContact CZ-CG2 3.9Å; F57-A90 HydrophobicContact CE1-CB 4.18Å; F57-A90 HydrophobicContact CZ-CB 3.76Å; F57-L133 HydrophobicContact CB-CD1 4.3Å; F57-L133 HydrophobicContact CD1-CD1 3.36Å; F57-L133 HydrophobicContact CD1-CG 3.81Å; F57-L133 HydrophobicContact CE1-CD1 3.84Å; F57-L133 HydrophobicContact CE1-CG 4.35Å; F57-L133 HydrophobicContact CG-CD1 3.99Å | ||
| 58 | N | 81.5 | Confident | 84.4 | Confident | 108 Ų | 108 | 69.7 Ų | 69.7 | 58% | 0.578 | 38% | 0.381 | S | S | * | . | trans | -93.4 | 116.4 | 169.2 | -175.6 | 0.9 | 0 | 0 | 0 | 109.5 | M56 T60 | M56-N58 PolarHBondContact O-N 2.95Å; N58-T60 VanDerWaalsContact CG-OG1 3.24Å; N58-T60 PolarHBondContact ND2-OG1 2.89Å; N58-T60 WeakPolarHBondContact OD1-CB 3.34Å; N58-T60 VanDerWaalsContact OD1-CG2 3.22Å; N58-T60 WeakPolarHBondContact OD1-CG2 3.24Å; N58-T60 PolarHBondContact OD1-N 2.85Å; N58-T60 PolarHBondContact OD1-OG1 2.84Å | ||
| 59 | W | 86.5 | Confident | 84.3 | Confident | 12 Ų | 12 | 77.6 Ų | 77.6 | 5% | 0.045 | 41% | 0.412 | C | S | . | . | trans | -97.2 | 13 | -179.5 | -155.4 | 5.2 | 0 | 0 | 0 | 113.9 | F57 E75 T76 V77 A90 M91 K92 Y118 K130 D131 L133 | F57-W59 HydrophobicContact CD1-CB 4.04Å; F57-W59 HydrophobicContact CD1-CG 4.48Å; F57-W59 HydrophobicContact CE1-CB 3.57Å; F57-W59 AromaticContact CE1-CD1 3.91Å; F57-W59 HydrophobicContact CE1-CD2 4.17Å; F57-W59 AromaticContact CE1-CG 3.58Å; F57-W59 HydrophobicContact CE1-CG 3.58Å; F57-W59 HydrophobicContact CZ-CG 4.33Å; W59-E75 HydrophobicContact CH2-CB 4.05Å; W59-E75 HydrophobicContact CZ2-CB 4.16Å; W59-T76 WeakPolarHBondContact CZ2-O 3.48Å; W59-V77 HydrophobicContact CH2-CB 3.59Å; W59-V77 HydrophobicContact CH2-CG1 3.81Å; W59-V77 HydrophobicContact CZ2-CB 4.09Å; W59-V77 HydrophobicContact CZ3-CB 3.91Å; W59-V77 HydrophobicContact CZ3-CG1 3.77Å; W59-A90 HydrophobicContact CD2-CB 4.36Å; W59-A90 HydrophobicContact CZ2-CB 3.86Å; W59-M91 WeakPolarHBondContact CZ2-O 3.29Å; W59-K92 HydrophobicContact CZ2-CG 4.29Å; W59-K92 WeakPolarHBondContact O-CE 3.23Å; W59-Y118 HydrophobicContact CH2-CD1 4.23Å; W59-Y118 HydrophobicContact CH2-CE1 4.46Å; W59-Y118 HydrophobicContact CZ3-CD1 4.02Å; W59-Y118 HydrophobicContact CZ3-CE1 4.19Å; W59-K130 HydrophobicContact CE3-CB 4.25Å; W59-K130 HydrophobicContact CE3-CG 4.48Å; W59-K130 HydrophobicContact CZ3-CB 4.35Å; W59-D131 PolarHBondContact N-O 3.18Å; W59-L133 HydrophobicContact CE3-CD2 3.62Å; W59-L133 HydrophobicContact CZ3-CD2 3.86Å | ||
| 60 | T | 83.1 | Confident | 84.1 | Confident | 84 Ų | 84 | 78.4 Ų | 78.4 | 52% | 0.515 | 43% | 0.431 | S | S | . | . | trans | -63.8 | 137.9 | 169.8 | 57.4 | 0 | 0 | 0 | 0 | 110.5 | N58 D131 | N58-T60 VanDerWaalsContact CG-OG1 3.24Å; N58-T60 PolarHBondContact ND2-OG1 2.89Å; N58-T60 WeakPolarHBondContact OD1-CB 3.34Å; N58-T60 VanDerWaalsContact OD1-CG2 3.22Å; N58-T60 WeakPolarHBondContact OD1-CG2 3.24Å; N58-T60 PolarHBondContact OD1-N 2.85Å; N58-T60 PolarHBondContact OD1-OG1 2.84Å; T60-D131 HydrophobicContact CG2-CB 3.91Å | ||
| 61 | T | 83.7 | Confident | 84.5 | Confident | 38 Ų | 38 | 76.8 Ų | 76.8 | 23% | 0.233 | 43% | 0.426 | C | S | . | . | trans | -122 | 143.6 | 168.7 | -174.9 | 0 | 0 | 0 | 0 | 110.7 | Q42 K43 E63 K92 | Q42-T61 HydrophobicContact CB-CG2 3.57Å; Q42-T61 HydrophobicContact CG-CG2 4.12Å; K43-T61 VanDerWaalsContact O-CB 3.29Å; K43-T61 WeakPolarHBondContact O-CB 3.02Å; K43-T61 VanDerWaalsContact O-CG2 3.23Å; K43-T61 WeakPolarHBondContact O-CG2 3.39Å; K43-T61 PolarHBondContact O-OG1 3.16Å; T61-E63 PolarHBondContact OG1-N 2.99Å; T61-K92 HydrophobicContact CG2-CD 4.15Å | ||
| 62 | E | 82.7 | Confident | 85.3 | Confident | 197 Ų | 197 | 73.9 Ų | 73.9 | 92% | 0.921 | 40% | 0.401 | S | S | * | . | trans | -88.9 | -17.7 | 174.5 | -60.6 | -174.3 | 171.9 | 0 | 0 | 111.8 | ||||
| 63 | E | 93.3 | Very high | 86.6 | Confident | 122 Ų | 122 | 71.2 Ų | 71.2 | 57% | 0.57 | 39% | 0.387 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 140.8 | -177.4 | -65.5 | -175.2 | -168.9 | 0 | 0 | 111.7 | K43 T61 | K43-E63 HydrophobicContact CB-CB 4.06Å; K43-E63 PolarHBondContact N-O 2.81Å; T61-E63 PolarHBondContact OG1-N 2.99Å |
| 64 | V | 96.1 | Very high | 87.9 | Confident | 76 Ų | 76 | 71.5 Ų | 71.5 | 46% | 0.461 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 141.6 | 176.5 | 172.9 | 0 | 0 | 0 | 0 | 107.7 | Y40 C41 F126 | Y40-V64 HydrophobicContact CD1-CG1 4.19Å; C41-V64 WeakPolarHBondContact O-CA 3.21Å; V64-F126 HydrophobicContact CB-CE1 4.28Å; V64-F126 HydrophobicContact CG1-CD1 4.43Å; V64-F126 HydrophobicContact CG1-CE1 3.52Å; V64-F126 HydrophobicContact CG1-CZ 4.21Å; V64-F126 HydrophobicContact CG2-CD1 4.29Å; V64-F126 HydrophobicContact CG2-CE1 3.7Å |
| 65 | E | 96.6 | Very high | 89.4 | Confident | 46 Ų | 46 | 70.7 Ų | 70.7 | 22% | 0.215 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 149.9 | 169.8 | 61.4 | -178.7 | 178.8 | 0 | 0 | 112.3 | Y40 C41 K43 G93 C94 | Y40-E65 WeakPolarHBondContact CA-O 3.13Å; C41-E65 PolarHBondContact N-O 3.13Å; C41-E65 PolarHBondContact O-N 3.02Å; K43-E65 HydrophobicContact CB-CB 4.36Å; K43-E65 HydrophobicContact CB-CG 3.99Å; K43-E65 HydrophobicContact CD-CB 4.21Å; K43-E65 HydrophobicContact CD-CG 4.34Å; K43-E65 WeakPolarHBondContact CD-OE2 3.35Å; K43-E65 WeakPolarHBondContact CE-OE2 3.29Å; K43-E65 HydrophobicContact CG-CG 4.25Å; K43-E65 IonicContact NZ-OE2 2.7Å; K43-E65 PolarHBondContact NZ-OE2 2.85Å; E65-G93 WeakPolarHBondContact OE1-CA 3.43Å; E65-C94 VanDerWaalsContact CG-SG 3.56Å; E65-C94 PolarHBondContact OE1-N 2.02Å |
| 66 | T | 97 | Very high | 90.7 | Very high | 75 Ų | 75 | 64.3 Ų | 64.3 | 46% | 0.46 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 130.1 | 173 | -60 | 0 | 0 | 0 | 0 | 109.1 | E38 Y40 | E38-T66 HydrophobicContact CG-CG2 3.48Å; E38-T66 VanDerWaalsContact CG-CG2 3.48Å; E38-T66 VanDerWaalsContact OE1-CG2 3.3Å; E38-T66 WeakPolarHBondContact OE1-CG2 3.08Å; Y40-T66 WeakPolarHBondContact CE1-OG1 2.99Å |
| 67 | C | 96.5 | Very high | 92 | Very high | 13 Ų | 13 | 58.8 Ų | 58.8 | 9% | 0.088 | 32% | 0.32 | C | S | . | . | P | Polyproline II helix | trans | -94.4 | 153.4 | -177.1 | -50.3 | 0 | 0 | 0 | 0 | 113.5 | L39 C41 A71 C94 | L39-C67 HydrophobicContact CB-CB 4.11Å; L39-C67 HydrophobicContact CD2-CB 4.17Å; L39-C67 HydrophobicContact CG-CB 4.28Å; L39-C67 PolarHBondContact O-N 2.56Å; C41-C67 PolarHBondContact SG-SG 2.86Å; C67-A71 HydrophobicContact CB-CB 3.79Å; C67-C94 WeakPolarHBondContact CA-SG 3.21Å; C67-C94 HydrophobicContact CB-CB 3.76Å; C67-C94 WeakPolarHBondContact CB-SG 3.22Å; C67-C94 WeakPolarHBondContact SG-CB 3.33Å; C67-C94 CovalentContact SG-SG 2.03Å; C67-C94 PolarHBondContact SG-SG 2.91Å |
| 68 | D | 94.6 | Very high | 92.9 | Very high | 140 Ų | 140 | 57.8 Ų | 57.8 | 75% | 0.749 | 32% | 0.316 | S | S | * | . | P | Polyproline II helix | trans | -63.2 | 158.1 | 168.9 | -70.6 | -35.3 | 0 | 0 | 0 | 111.4 | G70 A71 | D68-G70 PolarHBondContact O-N 3.46Å; D68-A71 WeakPolarHBondContact O-CB 3.29Å; D68-A71 PolarHBondContact O-N 2.9Å; D68-A71 VanDerWaalsContact O-N 3.16Å |
| 69 | K | 91.8 | Very high | 93.5 | Very high | 204 Ų | 204 | 52.8 Ų | 52.8 | 89% | 0.887 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | 129 | 179.4 | -68.6 | -176.5 | 179.6 | -179.5 | 0 | 111.1 | A71 | K69-A71 VanDerWaalsContact C-N 3.3Š|
| 70 | G | 89.8 | Confident | 94 | Very high | 70 Ų | 70 | 52.3 Ų | 52.3 | 72% | 0.722 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.9 | 1.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | D68 | D68-G70 PolarHBondContact O-N 3.46Š|
| 71 | A | 95.8 | Very high | 94.5 | Very high | 13 Ų | 13 | 50 Ų | 50 | 11% | 0.107 | 27% | 0.27 | C | S | . | . | trans | -72.8 | 165 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | L39 C67 D68 K69 I95 | L39-A71 WeakPolarHBondContact CD2-O 3.23Å; C67-A71 HydrophobicContact CB-CB 3.79Å; D68-A71 WeakPolarHBondContact O-CB 3.29Å; D68-A71 PolarHBondContact O-N 2.9Å; D68-A71 VanDerWaalsContact O-N 3.16Å; K69-A71 VanDerWaalsContact C-N 3.3Å; A71-I95 CarbonylContact C-O 3.54Å; A71-I95 WeakPolarHBondContact CA-O 3.41Å; A71-I95 VanDerWaalsContact CB-O 3.24Å; A71-I95 WeakPolarHBondContact CB-O 3.39Å | ||
| 72 | L | 97.1 | Very high | 95.1 | Very high | 8 Ų | 8 | 48.3 Ų | 48.3 | 4% | 0.042 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 167.4 | 171 | -60.8 | 92.9 | 0 | 0 | 0 | 110.1 | C94 I95 E123 | L72-C94 CarbonylContact O-C 3.52Å; L72-C94 WeakPolarHBondContact O-CA 3.41Å; L72-I95 HydrophobicContact CB-CG2 3.79Å; L72-I95 PolarHBondContact N-O 3.11Å; L72-I95 PolarHBondContact O-N 2.78Å; L72-E123 HydrophobicContact CD2-CG 3.53Å; L72-E123 HydrophobicContact CG-CG 4.04Å |
| 73 | C | 98.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 146.2 | 161.3 | -59.4 | 0 | 0 | 0 | 0 | 110.3 | C41 Y121 C122 C127 N128 | C41-C73 VanDerWaalsContact CA-SG 3.52Å; C41-C73 HydrophobicContact CB-CB 3.79Å; C41-C73 WeakPolarHBondContact CB-SG 3.49Å; C41-C73 WeakPolarHBondContact SG-CA 3.32Å; C41-C73 WeakPolarHBondContact SG-CB 3.22Å; C41-C73 CovalentContact SG-SG 2.02Å; C41-C73 PolarHBondContact SG-SG 3.32Å; C73-Y121 WeakPolarHBondContact O-CA 3.25Å; C73-C122 PolarHBondContact N-O 2.75Å; C73-C122 PolarHBondContact O-N 2.84Å; C73-C127 VanDerWaalsContact CB-SG 3.58Å; C73-N128 HydrophobicContact CB-CB 3.94Å |
| 74 | Q | 98.1 | Very high | 95.3 | Very high | 7 Ų | 7 | 40.2 Ų | 40.2 | 3% | 0.033 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 148.6 | 167.7 | 72.6 | 79.8 | 30.2 | 0 | 0 | 112 | T76 K92 G93 I95 N120 Y121 N128 P215 | Q74-T76 PolarHBondContact OE1-OG1 2.83Å; Q74-K92 VanDerWaalsContact O-CA 3.29Å; Q74-K92 WeakPolarHBondContact O-CA 3.3Å; Q74-G93 PolarHBondContact N-O 3.08Å; Q74-G93 PolarHBondContact O-N 2.83Å; Q74-I95 HydrophobicContact CB-CB 4.41Å; Q74-I95 HydrophobicContact CB-CG2 4.18Å; Q74-I95 HydrophobicContact CG-CB 4.11Å; Q74-I95 HydrophobicContact CG-CG2 4.42Å; Q74-N120 CarbonylContact C-O 3.53Å; Q74-N120 VanDerWaalsContact CA-O 3.23Å; Q74-N120 WeakPolarHBondContact CA-O 3.27Å; Q74-Y121 HydrophobicContact CB-CD1 3.76Å; Q74-Y121 HydrophobicContact CB-CE1 3.67Å; Q74-Y121 HydrophobicContact CB-CG 4.28Å; Q74-Y121 HydrophobicContact CG-CE1 4.48Å; Q74-N128 PolarHBondContact O-ND2 2.92Å; Q74-P215 HydrophobicContact CG-CG 4.41Å |
| 75 | E | 97.5 | Very high | 95.2 | Very high | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 128.1 | 160.5 | 55.1 | -173.4 | 178 | 0 | 0 | 109.6 | W59 M91 K92 Y118 S119 N120 N128 D129 K130 | W59-E75 HydrophobicContact CH2-CB 4.05Å; W59-E75 HydrophobicContact CZ2-CB 4.16Å; E75-M91 CarbonylContact C-O 3.47Å; E75-M91 VanDerWaalsContact CA-O 3.3Å; E75-M91 WeakPolarHBondContact CA-O 3.46Å; E75-K92 HydrophobicContact CB-CD 4.26Å; E75-K92 HydrophobicContact CB-CG 3.85Å; E75-K92 WeakPolarHBondContact OE2-CE 2.96Å; E75-K92 IonicContact OE2-NZ 2.91Å; E75-K92 PolarHBondContact OE2-NZ 3.3Å; E75-Y118 HydrophobicContact CG-CE1 4.06Å; E75-Y118 PolarHBondContact OE1-OH 3.44Å; E75-S119 CarbonylContact O-C 3.54Å; E75-S119 WeakPolarHBondContact O-CA 3.32Å; E75-N120 HydrophobicContact CG-CB 3.81Å; E75-N120 PolarHBondContact N-O 2.98Å; E75-N120 PolarHBondContact O-N 2.84Å; E75-N120 PolarHBondContact OE1-ND2 2.69Å; E75-N128 HydrophobicContact CB-CB 3.98Å; E75-N128 HydrophobicContact CG-CB 3.94Å; E75-D129 PolarHBondContact OE2-N 2.87Å; E75-K130 VanDerWaalsContact OE2-CB 3.22Å; E75-K130 WeakPolarHBondContact OE2-CB 3.18Å; E75-K130 PolarHBondContact OE2-N 3.05Å |
| 76 | T | 97.4 | Very high | 95 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 135.5 | -174.6 | -54 | 0 | 0 | 0 | 0 | 110.3 | W59 Q74 A90 M91 Y118 S119 V213 P215 M216 | W59-T76 WeakPolarHBondContact CZ2-O 3.48Å; Q74-T76 PolarHBondContact OE1-OG1 2.83Å; T76-A90 CarbonylContact O-C 3.54Å; T76-A90 WeakPolarHBondContact O-CA 3.34Å; T76-M91 PolarHBondContact N-O 2.95Å; T76-M91 PolarHBondContact O-N 2.89Å; T76-Y118 CarbonylContact C-O 3.49Å; T76-Y118 VanDerWaalsContact CA-O 3.29Å; T76-Y118 WeakPolarHBondContact CA-O 3.28Å; T76-Y118 WeakPolarHBondContact CG2-O 3.43Å; T76-S119 PolarHBondContact OG1-OG 2.81Å; T76-V213 HydrophobicContact CG2-CG1 3.95Å; T76-P215 WeakPolarHBondContact OG1-CD 3.19Å; T76-M216 HydrophobicContact CG2-CE 3.44Å; T76-M216 VanDerWaalsContact CG2-CE 3.44Å |
| 77 | V | 96.2 | Very high | 95 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 137.9 | 174.5 | 63.2 | 0 | 0 | 0 | 0 | 111.3 | W59 M79 I88 L89 A90 S117 Y118 L133 | W59-V77 HydrophobicContact CH2-CB 3.59Å; W59-V77 HydrophobicContact CH2-CG1 3.81Å; W59-V77 HydrophobicContact CZ2-CB 4.09Å; W59-V77 HydrophobicContact CZ3-CB 3.91Å; W59-V77 HydrophobicContact CZ3-CG1 3.77Å; V77-M79 HydrophobicContact CG2-CG 4.01Å; V77-I88 HydrophobicContact CG2-CG2 3.74Å; V77-L89 CarbonylContact C-O 3.56Å; V77-L89 VanDerWaalsContact CA-O 3.24Å; V77-L89 WeakPolarHBondContact CA-O 3.31Å; V77-A90 HydrophobicContact CB-CB 4.21Å; V77-A90 HydrophobicContact CG2-CB 3.94Å; V77-S117 CarbonylContact O-C 3.55Å; V77-S117 WeakPolarHBondContact O-CA 3.25Å; V77-S117 WeakPolarHBondContact O-CB 2.98Å; V77-Y118 HydrophobicContact CG1-CD1 4.1Å; V77-Y118 HydrophobicContact CG1-CG 4.45Å; V77-Y118 PolarHBondContact N-O 2.9Å; V77-Y118 PolarHBondContact O-N 2.76Å; V77-L133 HydrophobicContact CB-CD2 4.39Å; V77-L133 HydrophobicContact CG1-CD2 3.82Å; V77-L133 HydrophobicContact CG2-CD1 4.12Å; V77-L133 HydrophobicContact CG2-CD2 4.24Å |
| 78 | L | 96.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 123.7 | 168.8 | 177.3 | 64.5 | 0 | 0 | 0 | 108.9 | I80 L89 V115 I184 M207 M216 V218 | L78-I80 HydrophobicContact CD2-CD1 4.14Å; L78-I80 HydrophobicContact CG-CD1 4.21Å; L78-I80 HydrophobicContact CG-CG1 4.27Å; L78-L89 HydrophobicContact CB-CB 4.47Å; L78-L89 PolarHBondContact N-O 2.9Å; L78-L89 PolarHBondContact O-N 2.83Å; L78-V115 HydrophobicContact CD1-CG1 3.74Å; L78-I184 HydrophobicContact CD2-CD1 4Å; L78-M207 HydrophobicContact CD1-CE 3.97Å; L78-M207 HydrophobicContact CD1-SD 4.43Å; L78-M207 HydrophobicContact CD2-CE 4.43Å; L78-M216 HydrophobicContact CB-CE 4.02Å; L78-V218 HydrophobicContact CD2-CG2 4.15Å |
| 79 | M | 95.3 | Very high | 95 | Very high | 3 Ų | 3 | 27.6 Ų | 27.6 | 2% | 0.015 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 130.8 | 179.2 | -63.3 | 171.4 | -77.9 | 0 | 0 | 110.2 | V77 T86 A87 V115 I116 L133 F136 W137 | V77-M79 HydrophobicContact CG2-CG 4.01Å; M79-T86 HydrophobicContact CB-CG2 4.29Å; M79-A87 CarbonylContact C-O 3.59Å; M79-A87 WeakPolarHBondContact CA-O 3.32Å; M79-V115 VanDerWaalsContact O-CA 3.31Å; M79-V115 WeakPolarHBondContact O-CA 3.39Å; M79-I116 HydrophobicContact CE-CB 4.15Å; M79-I116 HydrophobicContact CE-CG2 3.97Å; M79-I116 PolarHBondContact N-O 2.75Å; M79-I116 PolarHBondContact O-N 3.46Å; M79-L133 HydrophobicContact CG-CD1 4.45Å; M79-L133 HydrophobicContact SD-CB 4.3Å; M79-L133 HydrophobicContact SD-CD1 3.91Å; M79-F136 HydrophobicContact CE-CB 3.79Å; M79-F136 HydrophobicContact CE-CD2 4.42Å; M79-F136 HydrophobicContact CE-CG 4.44Å; M79-W137 HydrophobicContact SD-CE3 4.48Å |
| 80 | I | 96.1 | Very high | 95.2 | Very high | 1 Ų | 1 | 17.9 Ų | 17.9 | 1% | 0.005 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 108.2 | -177.2 | -59.5 | 148.8 | 0 | 0 | 0 | 108.6 | L78 T86 A87 L89 V115 V157 L182 V193 V195 | L78-I80 HydrophobicContact CD2-CD1 4.14Å; L78-I80 HydrophobicContact CG-CD1 4.21Å; L78-I80 HydrophobicContact CG-CG1 4.27Å; I80-T86 CarbonylContact O-C 3.3Å; I80-T86 VanDerWaalsContact O-CA 3.27Å; I80-T86 WeakPolarHBondContact O-CA 3.29Å; I80-A87 HydrophobicContact CB-CB 4.44Å; I80-A87 PolarHBondContact N-O 3.43Å; I80-A87 PolarHBondContact O-N 2.82Å; I80-L89 HydrophobicContact CD1-CD1 4.21Å; I80-V115 HydrophobicContact CB-CG2 4.34Å; I80-V115 HydrophobicContact CG1-CG1 4.01Å; I80-V115 HydrophobicContact CG1-CG2 4.12Å; I80-V115 HydrophobicContact CG2-CG2 4.02Å; I80-V157 HydrophobicContact CB-CG2 4.45Å; I80-V157 HydrophobicContact CG2-CG2 4.04Å; I80-L182 HydrophobicContact CD1-CD1 3.58Å; I80-L182 HydrophobicContact CG1-CD1 4.18Å; I80-V193 HydrophobicContact CD1-CB 4.36Å; I80-V193 HydrophobicContact CD1-CG1 4.04Å; I80-V193 HydrophobicContact CD1-CG2 4.38Å; I80-V195 HydrophobicContact CG2-CG1 4.02Å; I80-V195 HydrophobicContact CG2-CG2 3.65Å |
| 81 | K | 94.6 | Very high | 95.5 | Very high | 37 Ų | 37 | 14.7 Ų | 14.7 | 16% | 0.161 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 131.1 | -179 | -168 | -177.6 | -168.7 | 161.8 | 0 | 111.5 | G83 E85 T86 L113 I114 W137 S140 | K81-G83 WeakPolarHBondContact CE-O 3.47Å; K81-E85 WeakPolarHBondContact CA-O 3.31Å; K81-T86 HydrophobicContact CB-CG2 4.32Å; K81-L113 WeakPolarHBondContact O-CA 3.39Å; K81-I114 HydrophobicContact CB-CB 4.18Å; K81-I114 HydrophobicContact CD-CD1 4.33Å; K81-I114 PolarHBondContact N-O 2.71Å; K81-I114 PolarHBondContact O-N 2.91Å; K81-W137 HydrophobicContact CB-CH2 4.12Å; K81-W137 HydrophobicContact CD-CH2 3.55Å; K81-W137 HydrophobicContact CD-CZ2 3.76Å; K81-W137 HydrophobicContact CG-CH2 3.99Å; K81-S140 PolarHBondContact NZ-OG 3.4Å |
| 82 | A | 95.2 | Very high | 95.6 | Very high | 2 Ų | 2 | 14.4 Ų | 14.4 | 2% | 0.017 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 112.4 | 169 | 0 | 0 | 0 | 0 | 0 | 110 | T84 E85 L113 T155 C156 V157 | A82-T84 PolarHBondContact O-N 3.48Å; A82-E85 PolarHBondContact N-O 3.32Å; A82-E85 PolarHBondContact O-N 2.95Å; A82-L113 HydrophobicContact CB-CD2 3.53Å; A82-T155 HydrophobicContact CB-CG2 4.17Å; A82-C156 WeakPolarHBondContact CB-O 3.06Å; A82-V157 HydrophobicContact CB-CB 3.86Å; A82-V157 HydrophobicContact CB-CG1 4.1Å |
| 83 | G | 91.4 | Very high | 95.6 | Very high | 37 Ų | 37 | 14.2 Ų | 14.2 | 38% | 0.381 | 9% | 0.085 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64 | -119.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | K81 | K81-G83 WeakPolarHBondContact CE-O 3.47Š|
| 84 | T | 90.2 | Very high | 95.6 | Very high | 112 Ų | 112 | 16 Ų | 16 | 69% | 0.687 | 10% | 0.097 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.1 | 3.3 | -179.8 | 56.8 | 0 | 0 | 0 | 0 | 113.5 | A51 A82 | A51-T84 CarbonylContact C-O 3.53Å; A51-T84 VanDerWaalsContact CA-O 3.24Å; A51-T84 WeakPolarHBondContact CA-O 3.5Å; A82-T84 PolarHBondContact O-N 3.48Å |
| 85 | E | 92.8 | Very high | 95.5 | Very high | 85 Ų | 85 | 16.9 Ų | 16.9 | 40% | 0.397 | 10% | 0.102 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 150.4 | -178.5 | -67.5 | 179.3 | 144.7 | 0 | 0 | 110.5 | V49 E50 K81 A82 V157 | V49-E85 HydrophobicContact CG1-CB 4.14Å; E50-E85 CarbonylContact O-C 3.53Å; K81-E85 WeakPolarHBondContact CA-O 3.31Å; A82-E85 PolarHBondContact N-O 3.32Å; A82-E85 PolarHBondContact O-N 2.95Å; E85-V157 HydrophobicContact CB-CG1 3.63Å; E85-V157 WeakPolarHBondContact O-CG1 3.21Å |
| 86 | T | 93.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 119.1 | -179.1 | -44.5 | 0 | 0 | 0 | 0 | 110.4 | V49 E50 P53 M79 I80 K81 I88 W137 | V49-T86 CarbonylContact C-O 3.58Å; V49-T86 VanDerWaalsContact CA-O 3.31Å; V49-T86 WeakPolarHBondContact CA-O 3.44Å; E50-T86 PolarHBondContact N-O 3.41Å; E50-T86 PolarHBondContact O-N 3.44Å; P53-T86 HydrophobicContact CG-CG2 3.69Å; P53-T86 WeakPolarHBondContact CG-OG1 3.21Å; M79-T86 HydrophobicContact CB-CG2 4.29Å; I80-T86 CarbonylContact O-C 3.3Å; I80-T86 VanDerWaalsContact O-CA 3.27Å; I80-T86 WeakPolarHBondContact O-CA 3.29Å; K81-T86 HydrophobicContact CB-CG2 4.32Å; T86-I88 HydrophobicContact CG2-CG1 4.38Å; T86-W137 HydrophobicContact CG2-CH2 3.75Å; T86-W137 HydrophobicContact CG2-CZ3 3.91Å; T86-W137 WeakPolarHBondContact OG1-CH2 3.44Å |
| 87 | A | 95.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 134.6 | 165.5 | 0 | 0 | 0 | 0 | 0 | 110 | T48 V49 M79 I80 V157 V193 | T48-A87 CarbonylContact O-C 3.6Å; T48-A87 WeakPolarHBondContact O-CA 3.23Å; V49-A87 HydrophobicContact CG2-CB 4.26Å; M79-A87 CarbonylContact C-O 3.59Å; M79-A87 WeakPolarHBondContact CA-O 3.32Å; I80-A87 HydrophobicContact CB-CB 4.44Å; I80-A87 PolarHBondContact N-O 3.43Å; I80-A87 PolarHBondContact O-N 2.82Å; A87-V157 HydrophobicContact CB-CG2 3.5Å; A87-V193 HydrophobicContact CB-CG1 4.06Å |
| 88 | I | 95.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 123.6 | 178.1 | -52.4 | 171.2 | 0 | 0 | 0 | 107.3 | M47 T48 E50 P53 F57 V77 T86 A90 L133 | M47-I88 WeakPolarHBondContact CA-O 3.26Å; T48-I88 PolarHBondContact N-O 2.94Å; T48-I88 PolarHBondContact O-N 2.86Å; E50-I88 HydrophobicContact CB-CD1 4.23Å; E50-I88 HydrophobicContact CG-CD1 3.87Å; P53-I88 HydrophobicContact CB-CD1 3.63Å; P53-I88 HydrophobicContact CB-CG1 4.42Å; P53-I88 HydrophobicContact CG-CD1 3.97Å; P53-I88 HydrophobicContact CG-CG1 4.42Å; F57-I88 HydrophobicContact CB-CD1 3.94Å; F57-I88 HydrophobicContact CD2-CD1 3.59Å; F57-I88 HydrophobicContact CD2-CG2 4.25Å; F57-I88 HydrophobicContact CE1-CG2 4.24Å; F57-I88 HydrophobicContact CE2-CB 4.44Å; F57-I88 HydrophobicContact CE2-CD1 4.25Å; F57-I88 HydrophobicContact CE2-CG2 3.9Å; F57-I88 HydrophobicContact CG-CD1 3.81Å; F57-I88 HydrophobicContact CZ-CG2 3.9Å; V77-I88 HydrophobicContact CG2-CG2 3.74Å; T86-I88 HydrophobicContact CG2-CG1 4.38Å; I88-A90 HydrophobicContact CG2-CB 4.26Å; I88-L133 HydrophobicContact CD1-CD1 4.49Å; I88-L133 HydrophobicContact CG2-CD1 4.11Å |
| 89 | L | 96.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 109.4 | 171.7 | -64.6 | 96.2 | 0 | 0 | 0 | 107.2 | M47 V77 L78 I80 I184 I189 V193 | M47-L89 HydrophobicContact CG-CD2 4.26Å; M47-L89 HydrophobicContact CG-CG 4.33Å; M47-L89 HydrophobicContact SD-CD2 4.34Å; V77-L89 CarbonylContact C-O 3.56Å; V77-L89 VanDerWaalsContact CA-O 3.24Å; V77-L89 WeakPolarHBondContact CA-O 3.31Å; L78-L89 HydrophobicContact CB-CB 4.47Å; L78-L89 PolarHBondContact N-O 2.9Å; L78-L89 PolarHBondContact O-N 2.83Å; I80-L89 HydrophobicContact CD1-CD1 4.21Å; L89-I184 HydrophobicContact CD1-CD1 4.07Å; L89-I184 HydrophobicContact CD2-CD1 3.55Å; L89-I184 HydrophobicContact CD2-CG2 4.39Å; L89-I184 HydrophobicContact CG-CD1 4.43Å; L89-I189 HydrophobicContact CB-CD1 3.97Å; L89-I189 HydrophobicContact CD2-CD1 4.24Å; L89-I189 HydrophobicContact CD2-CG2 3.98Å; L89-V193 HydrophobicContact CD1-CG2 3.96Å; L89-V193 HydrophobicContact CD2-CG2 4.4Å |
| 90 | A | 95.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 139.9 | -170.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | S46 F57 W59 T76 V77 I88 | S46-A90 PolarHBondContact N-O 2.95Å; S46-A90 PolarHBondContact O-N 2.84Å; F57-A90 HydrophobicContact CE1-CB 4.18Å; F57-A90 HydrophobicContact CZ-CB 3.76Å; W59-A90 HydrophobicContact CD2-CB 4.36Å; W59-A90 HydrophobicContact CZ2-CB 3.86Å; T76-A90 CarbonylContact O-C 3.54Å; T76-A90 WeakPolarHBondContact O-CA 3.34Å; V77-A90 HydrophobicContact CB-CB 4.21Å; V77-A90 HydrophobicContact CG2-CB 3.94Å; I88-A90 HydrophobicContact CG2-CB 4.26Å |
| 91 | M | 96.1 | Very high | 94.9 | Very high | 2 Ų | 2 | 44.6 Ų | 44.6 | 1% | 0.01 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 151.6 | -179 | 62 | 172.7 | 70.4 | 0 | 0 | 112.3 | G44 L45 W59 E75 T76 G187 I189 P215 M216 | G44-M91 CarbonylContact O-C 3.48Å; G44-M91 VanDerWaalsContact O-CA 3.24Å; G44-M91 WeakPolarHBondContact O-CA 3.36Å; L45-M91 HydrophobicContact CD1-CB 3.88Å; W59-M91 WeakPolarHBondContact CZ2-O 3.29Å; E75-M91 CarbonylContact C-O 3.47Å; E75-M91 VanDerWaalsContact CA-O 3.3Å; E75-M91 WeakPolarHBondContact CA-O 3.46Å; T76-M91 PolarHBondContact N-O 2.95Å; T76-M91 PolarHBondContact O-N 2.89Å; M91-G187 WeakPolarHBondContact CE-O 3.27Å; M91-I189 HydrophobicContact CE-CB 4.25Å; M91-I189 HydrophobicContact CE-CD1 3.36Å; M91-I189 HydrophobicContact CE-CG1 3.58Å; M91-P215 HydrophobicContact CE-CG 4.41Å; M91-P215 HydrophobicContact SD-CG 3.23Å; M91-P215 WeakPolarHBondContact SD-CG 3.35Å; M91-M216 HydrophobicContact CE-CE 4.37Å; M91-M216 HydrophobicContact CE-CG 3.3Å; M91-M216 HydrophobicContact CE-SD 3.81Å; M91-M216 HydrophobicContact SD-CG 4.35Å |
| 92 | K | 97.9 | Very high | 95 | Very high | 8 Ų | 8 | 48.2 Ų | 48.2 | 4% | 0.035 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 145.2 | 171.1 | -55.3 | -164.1 | 175.7 | -150.6 | 0 | 109.6 | Q42 K43 G44 W59 T61 Q74 E75 N128 K130 | Q42-K92 HydrophobicContact CB-CB 4.43Å; Q42-K92 HydrophobicContact CB-CD 3.9Å; Q42-K92 CarbonylContact O-C 3.55Å; Q42-K92 VanDerWaalsContact O-C 3.31Å; Q42-K92 VanDerWaalsContact O-CB 3.25Å; Q42-K92 WeakPolarHBondContact O-CB 3.48Å; K43-K92 WeakPolarHBondContact CA-O 3.24Å; G44-K92 PolarHBondContact N-O 2.97Å; G44-K92 PolarHBondContact O-N 2.01Å; W59-K92 HydrophobicContact CZ2-CG 4.29Å; W59-K92 WeakPolarHBondContact O-CE 3.23Å; T61-K92 HydrophobicContact CG2-CD 4.15Å; Q74-K92 VanDerWaalsContact O-CA 3.29Å; Q74-K92 WeakPolarHBondContact O-CA 3.3Å; E75-K92 HydrophobicContact CB-CD 4.26Å; E75-K92 HydrophobicContact CB-CG 3.85Å; E75-K92 WeakPolarHBondContact OE2-CE 2.96Å; E75-K92 IonicContact OE2-NZ 2.91Å; E75-K92 PolarHBondContact OE2-NZ 3.3Å; K92-N128 WeakPolarHBondContact CD-O 3.29Å; K92-N128 PolarHBondContact NZ-O 2.92Å; K92-K130 WeakPolarHBondContact CE-O 3.05Å; K92-K130 VanDerWaalsContact NZ-N 3.2Å; K92-K130 PolarHBondContact NZ-O 3.22Å |
| 93 | G | 97.3 | Very high | 95.1 | Very high | 4 Ų | 4 | 51.3 Ų | 51.3 | 4% | 0.041 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 166.3 | -170.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q42 E65 Q74 | Q42-G93 WeakPolarHBondContact O-CA 3.29Å; Q42-G93 PolarHBondContact O-N 3.02Å; Q42-G93 VanDerWaalsContact O-N 3.13Å; E65-G93 WeakPolarHBondContact OE1-CA 3.43Å; Q74-G93 PolarHBondContact N-O 3.08Å; Q74-G93 PolarHBondContact O-N 2.83Å |
| 94 | C | 97.4 | Very high | 95.3 | Very high | 37 Ų | 37 | 53.9 Ų | 53.9 | 25% | 0.25 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 146 | 171.7 | -55.4 | 0 | 0 | 0 | 0 | 111 | E65 C67 L72 | E65-C94 VanDerWaalsContact CG-SG 3.56Å; E65-C94 PolarHBondContact OE1-N 2.02Å; C67-C94 WeakPolarHBondContact CA-SG 3.21Å; C67-C94 HydrophobicContact CB-CB 3.76Å; C67-C94 WeakPolarHBondContact CB-SG 3.22Å; C67-C94 WeakPolarHBondContact SG-CB 3.33Å; C67-C94 CovalentContact SG-SG 2.03Å; C67-C94 PolarHBondContact SG-SG 2.91Å; L72-C94 CarbonylContact O-C 3.52Å; L72-C94 WeakPolarHBondContact O-CA 3.41Å |
| 95 | I | 96.9 | Very high | 95.5 | Very high | 26 Ų | 26 | 50 Ų | 50 | 13% | 0.133 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 131.9 | 171.7 | -168 | 77.4 | 0 | 0 | 0 | 108.8 | A71 L72 Q74 D97 Y121 P215 | A71-I95 CarbonylContact C-O 3.54Å; A71-I95 WeakPolarHBondContact CA-O 3.41Å; A71-I95 VanDerWaalsContact CB-O 3.24Å; A71-I95 WeakPolarHBondContact CB-O 3.39Å; L72-I95 HydrophobicContact CB-CG2 3.79Å; L72-I95 PolarHBondContact N-O 3.11Å; L72-I95 PolarHBondContact O-N 2.78Å; Q74-I95 HydrophobicContact CB-CB 4.41Å; Q74-I95 HydrophobicContact CB-CG2 4.18Å; Q74-I95 HydrophobicContact CG-CB 4.11Å; Q74-I95 HydrophobicContact CG-CG2 4.42Å; I95-D97 VanDerWaalsContact C-N 3.31Å; I95-D97 WeakPolarHBondContact CG1-O 3.44Å; I95-D97 PolarHBondContact O-N 3.3Å; I95-Y121 HydrophobicContact CB-CE2 4.38Å; I95-Y121 HydrophobicContact CG1-CE2 3.87Å; I95-Y121 HydrophobicContact CG2-CD2 3.91Å; I95-Y121 HydrophobicContact CG2-CE2 3.81Å; I95-P215 HydrophobicContact CD1-CB 3.71Å |
| 96 | P | 94.7 | Very high | 95.6 | Very high | 107 Ų | 107 | 50 Ų | 50 | 70% | 0.695 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -72.8 | -22.1 | -171 | 28.4 | -36.2 | 0 | 0 | 0 | 114.2 | ||
| 97 | D | 91.9 | Very high | 95.7 | Very high | 129 Ų | 129 | 50.1 Ų | 50.1 | 69% | 0.69 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -153.2 | 156 | -176.4 | -167.2 | 11.1 | 0 | 0 | 0 | 109.4 | I95 | I95-D97 VanDerWaalsContact C-N 3.31Å; I95-D97 WeakPolarHBondContact CG1-O 3.44Å; I95-D97 PolarHBondContact O-N 3.3Å |
| 98 | G | 91.3 | Very high | 95.6 | Very high | 26 Ų | 26 | 50.1 Ų | 50.1 | 27% | 0.268 | 28% | 0.279 | S | S | . | . | trans | 148.7 | 171.5 | -175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 99 | E | 94.4 | Very high | 95.4 | Very high | 159 Ų | 159 | 53.4 Ų | 53.4 | 74% | 0.743 | 30% | 0.3 | S | S | * | . | trans | -111.5 | 142.8 | 175.4 | -63.1 | -71.9 | 164.6 | 0 | 0 | 108.5 | A101 Y121 | E99-A101 PolarHBondContact O-N 3.24Å; E99-Y121 WeakPolarHBondContact O-CB 3.46Å | ||
| 100 | E | 97 | Very high | 95.1 | Very high | 121 Ų | 121 | 56.5 Ų | 56.5 | 57% | 0.565 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -59 | 113.6 | 172.9 | -178.2 | 175.2 | -153.2 | 0 | 0 | 109.8 | Y121 | E100-Y121 WeakPolarHBondContact CA-O 3.37Å; E100-Y121 WeakPolarHBondContact CG-O 3.44Å |
| 101 | A | 97.4 | Very high | 94.8 | Very high | 45 Ų | 45 | 57.7 Ų | 57.7 | 37% | 0.372 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.3 | 143.1 | -175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | E99 N120 Y121 | E99-A101 PolarHBondContact O-N 3.24Å; A101-N120 WeakPolarHBondContact O-CA 3.49Å; A101-Y121 PolarHBondContact N-O 2.85Å; A101-Y121 VanDerWaalsContact N-O 3.08Å; A101-Y121 PolarHBondContact O-N 3Å |
| 102 | I | 96.9 | Very high | 94.7 | Very high | 112 Ų | 112 | 58.4 Ų | 58.4 | 57% | 0.574 | 33% | 0.33 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 122.2 | 165.7 | -62.7 | 172.1 | 0 | 0 | 0 | 108.4 | Y118 S119 N120 | I102-Y118 HydrophobicContact CG2-CD2 4.21Å; I102-Y118 HydrophobicContact CG2-CE2 3.64Å; I102-S119 CarbonylContact C-O 3.43Å; I102-S119 WeakPolarHBondContact CA-O 3.27Å; I102-N120 HydrophobicContact CG1-CB 4.16Å; I102-N120 WeakPolarHBondContact CG1-OD1 3.41Å |
| 103 | T | 96.5 | Very high | 94.6 | Very high | 68 Ų | 68 | 58.1 Ų | 58.1 | 42% | 0.417 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 122.9 | 179.3 | -56.8 | 0 | 0 | 0 | 0 | 110.1 | V105 Y118 S119 | T103-V105 HydrophobicContact CG2-CG2 3.79Å; T103-Y118 CarbonylContact O-C 3.56Å; T103-Y118 WeakPolarHBondContact O-CA 3.48Å; T103-S119 PolarHBondContact N-O 3.06Å; T103-S119 PolarHBondContact O-N 3.41Å |
| 104 | I | 95.3 | Very high | 94.5 | Very high | 91 Ų | 91 | 58.1 Ų | 58.1 | 47% | 0.467 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 129.3 | 172.3 | -61.3 | 160.4 | 0 | 0 | 0 | 107.7 | S117 Y118 F136 | I104-S117 WeakPolarHBondContact CA-O 3.22Å; I104-Y118 HydrophobicContact CD1-CD2 4.42Å; I104-Y118 HydrophobicContact CG1-CD2 3.78Å; I104-F136 HydrophobicContact CD1-CD1 4.27Å; I104-F136 HydrophobicContact CD1-CE1 3.68Å; I104-F136 HydrophobicContact CG1-CD1 4.48Å; I104-F136 HydrophobicContact CG1-CE1 3.99Å |
| 105 | V | 95.6 | Very high | 94.4 | Very high | 31 Ų | 31 | 56.4 Ų | 56.4 | 19% | 0.188 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 123.8 | -178.5 | -171.5 | 0 | 0 | 0 | 0 | 110 | T103 H107 I116 S117 I210 | T103-V105 HydrophobicContact CG2-CG2 3.79Å; V105-H107 PolarHBondContact O-N 2.9Å; V105-I116 CarbonylContact O-C 3.6Å; V105-I116 VanDerWaalsContact O-CA 3.27Å; V105-I116 WeakPolarHBondContact O-CA 3.42Å; V105-S117 PolarHBondContact N-O 3Å; V105-S117 PolarHBondContact O-N 2.93Å; V105-I210 HydrophobicContact CG1-CD1 3.59Å |
| 106 | Q | 94.3 | Very high | 94.3 | Very high | 85 Ų | 85 | 55.4 Ų | 55.4 | 40% | 0.397 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 94.6 | 164.5 | -172.2 | 174.5 | 36.5 | 0 | 0 | 108.5 | P109 V115 I116 | Q106-P109 HydrophobicContact CG-CB 4.16Å; Q106-V115 CarbonylContact C-O 3.58Å; Q106-I116 HydrophobicContact CG-CG1 4.26Å |
| 107 | H | 95.9 | Very high | 94.4 | Very high | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | -41.1 | -177.4 | -62.8 | -88.9 | 0 | 0 | 0 | 112.4 | V105 V115 S117 L206 M207 S208 | V105-H107 PolarHBondContact O-N 2.9Å; H107-V115 HydrophobicContact CB-CB 3.99Å; H107-V115 HydrophobicContact CB-CG1 3.93Å; H107-V115 PolarHBondContact N-O 3.05Å; H107-S117 WeakPolarHBondContact NE2-CB 3.41Å; H107-S117 PolarHBondContact NE2-OG 3.34Å; H107-L206 CarbonylContact C-O 3.5Å; H107-M207 VanDerWaalsContact CE1-CE 3.49Å; H107-M207 WeakPolarHBondContact CE1-CE 3.37Å; H107-M207 PolarHBondContact ND1-O 3.29Å; H107-S208 WeakPolarHBondContact O-CB 3.29Å; H107-S208 PolarHBondContact O-OG 3.46Å |
| 108 | S | 94.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 116.1 | 173.5 | -78.8 | 0 | 0 | 0 | 0 | 109 | I114 V115 L206 | S108-I114 WeakPolarHBondContact O-CA 3.3Å; S108-V115 PolarHBondContact N-O 2.89Å; S108-V115 PolarHBondContact O-N 2.81Å; S108-L206 WeakPolarHBondContact OG-CA 3.38Å; S108-L206 PolarHBondContact OG-O 3.01Å |
| 109 | P | 91.1 | Very high | 94.9 | Very high | 69 Ų | 69 | 44 Ų | 44 | 45% | 0.448 | 24% | 0.238 | S | C | . | . | P | Polyproline II helix | trans | -81.5 | 163 | 179.7 | 33.2 | -35.1 | 0 | 0 | 0 | 112.2 | Q106 | Q106-P109 HydrophobicContact CG-CB 4.16Š|
| 110 | H | 88.8 | Confident | 95.1 | Very high | 65 Ų | 65 | 37.2 Ų | 37.2 | 30% | 0.301 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -54.4 | 144.7 | 165.7 | -174.5 | 90.3 | 0 | 0 | 0 | 110.3 | I114 | H110-I114 HydrophobicContact CB-CD1 4.07Å; H110-I114 HydrophobicContact CB-CG1 4.33Å |
| 111 | P | 90.4 | Very high | 95.1 | Very high | 25 Ų | 25 | 33 Ų | 33 | 16% | 0.162 | 19% | 0.186 | C | C | . | . | S | Bend | cis | -95.2 | 155.5 | 8.9 | 36.2 | -35 | 0 | 0 | 0 | 115.6 | P171 N172 T174 | P111-P171 HydrophobicContact CB-CB 4.06Å; P111-P171 HydrophobicContact CB-CG 3.93Å; P111-N172 WeakPolarHBondContact CB-O 3.47Å; P111-N172 WeakPolarHBondContact CG-O 3.38Å; P111-T174 HydrophobicContact CB-CG2 4.12Å; P111-T174 HydrophobicContact CG-CG2 3.94Å; P111-T174 VanDerWaalsContact O-CG2 3.3Å; P111-T174 WeakPolarHBondContact O-CG2 3.35Å |
| 112 | G | 93.1 | Very high | 95.1 | Very high | 18 Ų | 18 | 31.1 Ų | 31.1 | 19% | 0.186 | 17% | 0.171 | C | C | . | . | S | Bend | trans | 99.9 | -125.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | C198 | G112-C198 CarbonylContact C-O 3.5Å; G112-C198 VanDerWaalsContact CA-O 3.28Å; G112-C198 WeakPolarHBondContact CA-O 3.36Å |
| 113 | L | 95.8 | Very high | 95.1 | Very high | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.005 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -67 | 132.9 | 171.7 | -65.9 | 177.7 | 0 | 0 | 0 | 110.3 | K81 A82 Y178 V195 C198 L206 | K81-L113 WeakPolarHBondContact O-CA 3.39Å; A82-L113 HydrophobicContact CB-CD2 3.53Å; L113-Y178 HydrophobicContact CD1-CD1 3.38Å; L113-Y178 HydrophobicContact CD1-CE1 4.24Å; L113-Y178 HydrophobicContact CD1-CG 3.73Å; L113-V195 HydrophobicContact CD1-CG1 3.92Å; L113-V195 HydrophobicContact CD2-CG1 3.7Å; L113-V195 HydrophobicContact CG-CG1 4.43Å; L113-C198 PolarHBondContact N-O 2.9Å; L113-L206 HydrophobicContact CB-CD1 3.82Å; L113-L206 HydrophobicContact CD1-CD1 3.77Å; L113-L206 HydrophobicContact CG-CD1 4.44Å |
| 114 | I | 94.5 | Very high | 95.1 | Very high | 5 Ų | 5 | 34 Ų | 34 | 3% | 0.026 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 132.5 | 177.7 | -61.5 | 165.1 | 0 | 0 | 0 | 108 | K81 S108 H110 I116 | K81-I114 HydrophobicContact CB-CB 4.18Å; K81-I114 HydrophobicContact CD-CD1 4.33Å; K81-I114 PolarHBondContact N-O 2.71Å; K81-I114 PolarHBondContact O-N 2.91Å; S108-I114 WeakPolarHBondContact O-CA 3.3Å; H110-I114 HydrophobicContact CB-CD1 4.07Å; H110-I114 HydrophobicContact CB-CG1 4.33Å; I114-I116 HydrophobicContact CG2-CD1 3.96Å; I114-I116 HydrophobicContact CG2-CG1 4.02Å |
| 115 | V | 95.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 124.8 | 174.7 | -176.9 | 0 | 0 | 0 | 0 | 109.6 | L78 M79 I80 Q106 H107 S108 L206 M207 | L78-V115 HydrophobicContact CD1-CG1 3.74Å; M79-V115 VanDerWaalsContact O-CA 3.31Å; M79-V115 WeakPolarHBondContact O-CA 3.39Å; I80-V115 HydrophobicContact CB-CG2 4.34Å; I80-V115 HydrophobicContact CG1-CG1 4.01Å; I80-V115 HydrophobicContact CG1-CG2 4.12Å; I80-V115 HydrophobicContact CG2-CG2 4.02Å; Q106-V115 CarbonylContact C-O 3.58Å; H107-V115 HydrophobicContact CB-CB 3.99Å; H107-V115 HydrophobicContact CB-CG1 3.93Å; H107-V115 PolarHBondContact N-O 3.05Å; S108-V115 PolarHBondContact N-O 2.89Å; S108-V115 PolarHBondContact O-N 2.81Å; V115-L206 HydrophobicContact CG2-CD1 3.88Å; V115-L206 HydrophobicContact CG2-CD2 3.98Å; V115-L206 HydrophobicContact CG2-CG 3.68Å; V115-M207 HydrophobicContact CG1-SD 3.75Å |
| 116 | I | 95.1 | Very high | 95.1 | Very high | 5 Ų | 5 | 34.8 Ų | 34.8 | 3% | 0.026 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 140.2 | -177.5 | -60.9 | 172.4 | 0 | 0 | 0 | 108.5 | M79 V105 Q106 I114 F136 F139 | M79-I116 HydrophobicContact CE-CB 4.15Å; M79-I116 HydrophobicContact CE-CG2 3.97Å; M79-I116 PolarHBondContact N-O 2.75Å; M79-I116 PolarHBondContact O-N 3.46Å; V105-I116 CarbonylContact O-C 3.6Å; V105-I116 VanDerWaalsContact O-CA 3.27Å; V105-I116 WeakPolarHBondContact O-CA 3.42Å; Q106-I116 HydrophobicContact CG-CG1 4.26Å; I114-I116 HydrophobicContact CG2-CD1 3.96Å; I114-I116 HydrophobicContact CG2-CG1 4.02Å; I116-F136 WeakPolarHBondContact CD1-O 3.12Å; I116-F139 HydrophobicContact CD1-CB 3.94Å; I116-F139 HydrophobicContact CD1-CD2 4.2Å; I116-F139 HydrophobicContact CD1-CG 4.49Å |
| 117 | S | 96.5 | Very high | 95.3 | Very high | 4 Ų | 4 | 32 Ų | 32 | 3% | 0.028 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 151.3 | 169 | 72.2 | 0 | 0 | 0 | 0 | 112.5 | V77 I104 V105 H107 | V77-S117 CarbonylContact O-C 3.55Å; V77-S117 WeakPolarHBondContact O-CA 3.25Å; V77-S117 WeakPolarHBondContact O-CB 2.98Å; I104-S117 WeakPolarHBondContact CA-O 3.22Å; V105-S117 PolarHBondContact N-O 3Å; V105-S117 PolarHBondContact O-N 2.93Å; H107-S117 WeakPolarHBondContact NE2-CB 3.41Å; H107-S117 PolarHBondContact NE2-OG 3.34Å |
| 118 | Y | 96.4 | Very high | 95.4 | Very high | 10 Ų | 10 | 32 Ų | 32 | 4% | 0.039 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 140.5 | 167.3 | 162 | -97.6 | 0 | 0 | 0 | 109 | W59 E75 T76 V77 I102 T103 I104 N120 F136 | W59-Y118 HydrophobicContact CH2-CD1 4.23Å; W59-Y118 HydrophobicContact CH2-CE1 4.46Å; W59-Y118 HydrophobicContact CZ3-CD1 4.02Å; W59-Y118 HydrophobicContact CZ3-CE1 4.19Å; E75-Y118 HydrophobicContact CG-CE1 4.06Å; E75-Y118 PolarHBondContact OE1-OH 3.44Å; T76-Y118 CarbonylContact C-O 3.49Å; T76-Y118 VanDerWaalsContact CA-O 3.29Å; T76-Y118 WeakPolarHBondContact CA-O 3.28Å; T76-Y118 WeakPolarHBondContact CG2-O 3.43Å; V77-Y118 HydrophobicContact CG1-CD1 4.1Å; V77-Y118 HydrophobicContact CG1-CG 4.45Å; V77-Y118 PolarHBondContact N-O 2.9Å; V77-Y118 PolarHBondContact O-N 2.76Å; I102-Y118 HydrophobicContact CG2-CD2 4.21Å; I102-Y118 HydrophobicContact CG2-CE2 3.64Å; T103-Y118 CarbonylContact O-C 3.56Å; T103-Y118 WeakPolarHBondContact O-CA 3.48Å; I104-Y118 HydrophobicContact CD1-CD2 4.42Å; I104-Y118 HydrophobicContact CG1-CD2 3.78Å; Y118-N120 HydrophobicContact CE1-CB 4.05Å; Y118-N120 HydrophobicContact CE2-CB 4.22Å; Y118-N120 VanDerWaalsContact OH-CB 3.25Å; Y118-N120 WeakPolarHBondContact OH-CB 3.44Å; Y118-F136 HydrophobicContact CD1-CE2 4.11Å; Y118-F136 HydrophobicContact CD1-CZ 4.11Å; Y118-F136 AromaticContact CD2-CE1 3.78Å; Y118-F136 HydrophobicContact CD2-CE1 3.78Å; Y118-F136 HydrophobicContact CD2-CE2 4.11Å; Y118-F136 AromaticContact CD2-CZ 3.33Å; Y118-F136 HydrophobicContact CD2-CZ 3.33Å; Y118-F136 HydrophobicContact CE1-CZ 4.43Å; Y118-F136 HydrophobicContact CE2-CE1 4.36Å; Y118-F136 AromaticContact CE2-CZ 3.72Å; Y118-F136 HydrophobicContact CE2-CZ 3.72Å; Y118-F136 HydrophobicContact CG-CE1 4.18Å; Y118-F136 AromaticContact CG-CE2 3.81Å; Y118-F136 HydrophobicContact CG-CE2 3.81Å; Y118-F136 AromaticContact CG-CZ 3.52Å; Y118-F136 HydrophobicContact CG-CZ 3.52Å |
| 119 | S | 97.6 | Very high | 95.4 | Very high | 8 Ų | 8 | 36.9 Ų | 36.9 | 6% | 0.056 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 130.7 | 175.8 | -173.7 | 0 | 0 | 0 | 0 | 108.3 | E75 T76 I102 T103 Y121 G214 | E75-S119 CarbonylContact O-C 3.54Å; E75-S119 WeakPolarHBondContact O-CA 3.32Å; T76-S119 PolarHBondContact OG1-OG 2.81Å; I102-S119 CarbonylContact C-O 3.43Å; I102-S119 WeakPolarHBondContact CA-O 3.27Å; T103-S119 PolarHBondContact N-O 3.06Å; T103-S119 PolarHBondContact O-N 3.41Å; S119-Y121 VanDerWaalsContact OG-CE1 3.31Å; S119-Y121 WeakPolarHBondContact OG-CE1 3.34Å; S119-G214 VanDerWaalsContact OG-CA 3.27Å; S119-G214 WeakPolarHBondContact OG-CA 3.26Å |
| 120 | N | 97.8 | Very high | 95.5 | Very high | 17 Ų | 17 | 35.7 Ų | 35.7 | 9% | 0.091 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 121.2 | 174.8 | 173.1 | 30.5 | 0 | 0 | 0 | 108.8 | Q74 E75 A101 I102 Y118 | Q74-N120 CarbonylContact C-O 3.53Å; Q74-N120 VanDerWaalsContact CA-O 3.23Å; Q74-N120 WeakPolarHBondContact CA-O 3.27Å; E75-N120 HydrophobicContact CG-CB 3.81Å; E75-N120 PolarHBondContact N-O 2.98Å; E75-N120 PolarHBondContact O-N 2.84Å; E75-N120 PolarHBondContact OE1-ND2 2.69Å; A101-N120 WeakPolarHBondContact O-CA 3.49Å; I102-N120 HydrophobicContact CG1-CB 4.16Å; I102-N120 WeakPolarHBondContact CG1-OD1 3.41Å; Y118-N120 HydrophobicContact CE1-CB 4.05Å; Y118-N120 HydrophobicContact CE2-CB 4.22Å; Y118-N120 VanDerWaalsContact OH-CB 3.25Å; Y118-N120 WeakPolarHBondContact OH-CB 3.44Å |
| 121 | Y | 98.4 | Very high | 95.6 | Very high | 32 Ų | 32 | 37 Ų | 37 | 13% | 0.125 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 127.1 | 174.6 | -79.7 | 42.6 | 0 | 0 | 0 | 106.6 | C73 Q74 I95 E99 E100 A101 S119 G214 P215 | C73-Y121 WeakPolarHBondContact O-CA 3.25Å; Q74-Y121 HydrophobicContact CB-CD1 3.76Å; Q74-Y121 HydrophobicContact CB-CE1 3.67Å; Q74-Y121 HydrophobicContact CB-CG 4.28Å; Q74-Y121 HydrophobicContact CG-CE1 4.48Å; I95-Y121 HydrophobicContact CB-CE2 4.38Å; I95-Y121 HydrophobicContact CG1-CE2 3.87Å; I95-Y121 HydrophobicContact CG2-CD2 3.91Å; I95-Y121 HydrophobicContact CG2-CE2 3.81Å; E99-Y121 WeakPolarHBondContact O-CB 3.46Å; E100-Y121 WeakPolarHBondContact CA-O 3.37Å; E100-Y121 WeakPolarHBondContact CG-O 3.44Å; A101-Y121 PolarHBondContact N-O 2.85Å; A101-Y121 VanDerWaalsContact N-O 3.08Å; A101-Y121 PolarHBondContact O-N 3Å; S119-Y121 VanDerWaalsContact OG-CE1 3.31Å; S119-Y121 WeakPolarHBondContact OG-CE1 3.34Å; Y121-G214 VanDerWaalsContact OH-C 3.28Å; Y121-P215 WeakPolarHBondContact OH-CD 2.98Å |
| 122 | C | 97.8 | Very high | 95.3 | Very high | 7 Ų | 7 | 37.6 Ų | 37.6 | 5% | 0.047 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 152.9 | -172 | 57.4 | 0 | 0 | 0 | 0 | 111.8 | C73 C127 | C73-C122 PolarHBondContact N-O 2.75Å; C73-C122 PolarHBondContact O-N 2.84Å; C122-C127 HydrophobicContact CB-CB 3.78Å; C122-C127 WeakPolarHBondContact CB-SG 3.24Å; C122-C127 PolarHBondContact O-SG 2.7Å; C122-C127 WeakPolarHBondContact SG-CB 3.49Å; C122-C127 CovalentContact SG-SG 2.01Å; C122-C127 PolarHBondContact SG-SG 2.96Å |
| 123 | E | 95.8 | Very high | 94.8 | Very high | 118 Ų | 118 | 36.8 Ų | 36.8 | 55% | 0.551 | 19% | 0.194 | S | C | * | . | trans | -103.4 | -12.3 | -167.1 | -63.7 | -174.4 | 176.3 | 0 | 0 | 114.5 | L39 L72 | L39-E123 WeakPolarHBondContact CD1-O 2.96Å; L72-E123 HydrophobicContact CD2-CG 3.53Å; L72-E123 HydrophobicContact CG-CG 4.04Å | ||
| 124 | D | 95.7 | Very high | 94 | Very high | 121 Ų | 121 | 39.2 Ų | 39.2 | 65% | 0.647 | 21% | 0.21 | S | C | * | . | S | Bend | trans | -83.5 | 148.6 | -179.7 | -74.1 | -39.4 | 0 | 0 | 0 | 112 | F126 C127 | D124-F126 PolarHBondContact O-N 3.28Å; D124-C127 HydrophobicContact CB-CB 4.02Å; D124-C127 VanDerWaalsContact O-CB 3.29Å; D124-C127 WeakPolarHBondContact O-CB 3.01Å; D124-C127 PolarHBondContact O-N 2.78Å; D124-C127 PolarHBondContact O-SG 3.06Å |
| 125 | S | 96.3 | Very high | 93.2 | Very high | 47 Ų | 47 | 44.6 Ų | 44.6 | 33% | 0.329 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | 132.3 | 175.3 | -67.8 | 0 | 0 | 0 | 0 | 111.2 | Y40 C127 | Y40-S125 PolarHBondContact N-OG 2.82Å; Y40-S125 CarbonylContact O-C 3.54Å; Y40-S125 VanDerWaalsContact O-CA 3.27Å; Y40-S125 WeakPolarHBondContact O-CA 3.03Å; S125-C127 PolarHBondContact O-N 3.08Å |
| 126 | F | 96.5 | Very high | 92.2 | Very high | 92 Ų | 92 | 45 Ų | 45 | 40% | 0.404 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64 | 15.8 | -178.9 | -47.4 | -79.2 | 0 | 0 | 0 | 115.1 | Y40 V64 D124 N128 D129 | Y40-F126 VanDerWaalsContact CB-CZ 3.48Å; Y40-F126 HydrophobicContact CG-CE2 4.47Å; Y40-F126 HydrophobicContact CG-CZ 4.05Å; Y40-F126 PolarHBondContact O-N 2.7Å; V64-F126 HydrophobicContact CB-CE1 4.28Å; V64-F126 HydrophobicContact CG1-CD1 4.43Å; V64-F126 HydrophobicContact CG1-CE1 3.52Å; V64-F126 HydrophobicContact CG1-CZ 4.21Å; V64-F126 HydrophobicContact CG2-CD1 4.29Å; V64-F126 HydrophobicContact CG2-CE1 3.7Å; D124-F126 PolarHBondContact O-N 3.28Å; F126-N128 PolarHBondContact O-N 2.03Å; F126-D129 WeakPolarHBondContact O-CB 3.37Å |
| 127 | C | 97.1 | Very high | 90.9 | Very high | 27 Ų | 27 | 46 Ų | 46 | 18% | 0.182 | 24% | 0.241 | C | C | . | . | trans | -67.1 | -18.3 | -178.3 | 64 | 0 | 0 | 0 | 0 | 114.6 | C73 C122 D124 S125 D129 | C73-C127 VanDerWaalsContact CB-SG 3.58Å; C122-C127 HydrophobicContact CB-CB 3.78Å; C122-C127 WeakPolarHBondContact CB-SG 3.24Å; C122-C127 PolarHBondContact O-SG 2.7Å; C122-C127 WeakPolarHBondContact SG-CB 3.49Å; C122-C127 CovalentContact SG-SG 2.01Å; C122-C127 PolarHBondContact SG-SG 2.96Å; D124-C127 HydrophobicContact CB-CB 4.02Å; D124-C127 VanDerWaalsContact O-CB 3.29Å; D124-C127 WeakPolarHBondContact O-CB 3.01Å; D124-C127 PolarHBondContact O-N 2.78Å; D124-C127 PolarHBondContact O-SG 3.06Å; S125-C127 PolarHBondContact O-N 3.08Å; C127-D129 PolarHBondContact O-N 3.28Å; C127-D129 VanDerWaalsContact O-N 3.11Å | ||
| 128 | N | 97.4 | Very high | 89.2 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 27% | 0.274 | C | S | . | . | trans | -86.3 | 62.7 | 177.7 | 65.7 | -32.3 | 0 | 0 | 0 | 110.6 | Q42 C73 Q74 E75 K92 F126 | Q42-N128 WeakPolarHBondContact CB-OD1 3.47Å; Q42-N128 VanDerWaalsContact CD-O 3.31Å; Q42-N128 PolarHBondContact N-OD1 2.71Å; Q42-N128 PolarHBondContact O-ND2 2.82Å; Q42-N128 PolarHBondContact OE1-O 2.83Å; Q42-N128 VanDerWaalsContact OE1-O 3.08Å; C73-N128 HydrophobicContact CB-CB 3.94Å; Q74-N128 PolarHBondContact O-ND2 2.92Å; E75-N128 HydrophobicContact CB-CB 3.98Å; E75-N128 HydrophobicContact CG-CB 3.94Å; K92-N128 WeakPolarHBondContact CD-O 3.29Å; K92-N128 PolarHBondContact NZ-O 2.92Å; F126-N128 PolarHBondContact O-N 2.03Å | ||
| 129 | D | 95.4 | Very high | 87.3 | Confident | 104 Ų | 104 | 57.7 Ų | 57.7 | 56% | 0.556 | 29% | 0.294 | S | S | * | . | trans | -109.2 | 11.3 | -165.5 | 69.6 | -10 | 0 | 0 | 0 | 115.9 | E75 F126 C127 D131 | E75-D129 PolarHBondContact OE2-N 2.87Å; F126-D129 WeakPolarHBondContact O-CB 3.37Å; C127-D129 PolarHBondContact O-N 3.28Å; C127-D129 VanDerWaalsContact O-N 3.11Å; D129-D131 PolarHBondContact O-N 2.86Å | ||
| 130 | K | 93.8 | Very high | 85.2 | Confident | 43 Ų | 43 | 58 Ų | 58 | 19% | 0.187 | 30% | 0.296 | C | S | . | . | trans | -56.9 | 130.8 | 179.7 | -154.3 | 80.1 | 176.3 | -171.1 | 0 | 111.9 | W59 E75 K92 | W59-K130 HydrophobicContact CE3-CB 4.25Å; W59-K130 HydrophobicContact CE3-CG 4.48Å; W59-K130 HydrophobicContact CZ3-CB 4.35Å; E75-K130 VanDerWaalsContact OE2-CB 3.22Å; E75-K130 WeakPolarHBondContact OE2-CB 3.18Å; E75-K130 PolarHBondContact OE2-N 3.05Å; K92-K130 WeakPolarHBondContact CE-O 3.05Å; K92-K130 VanDerWaalsContact NZ-N 3.2Å; K92-K130 PolarHBondContact NZ-O 3.22Å | ||
| 131 | D | 89.8 | Confident | 83.3 | Confident | 94 Ų | 94 | 65 Ų | 65 | 50% | 0.503 | 33% | 0.328 | S | S | . | . | trans | -110.1 | -23.7 | -177.2 | 60.8 | -5.5 | 0 | 0 | 0 | 113.5 | W59 T60 D129 | W59-D131 PolarHBondContact N-O 3.18Å; T60-D131 HydrophobicContact CG2-CB 3.91Å; D129-D131 PolarHBondContact O-N 2.86Å | ||
| 132 | S | 84.6 | Confident | 81.2 | Confident | 36 Ų | 36 | 67.8 Ų | 67.8 | 25% | 0.252 | 35% | 0.348 | S | S | . | . | trans | -130.3 | 145.2 | -173.1 | -175.5 | 0 | 0 | 0 | 0 | 113.3 | S134 | S132-S134 WeakPolarHBondContact OG-CB 3.39Å; S132-S134 PolarHBondContact OG-N 2.88Å; S132-S134 PolarHBondContact OG-OG 3.32Å | ||
| 133 | L | 82.3 | Confident | 78.9 | Confident | 2 Ų | 2 | 73.8 Ų | 73.8 | 1% | 0.01 | 39% | 0.385 | C | S | . | . | trans | -99.8 | 0.4 | 174.8 | -58.3 | -178.5 | 0 | 0 | 0 | 113.7 | F57 W59 V77 M79 I88 Q135 F136 | F57-L133 HydrophobicContact CB-CD1 4.3Å; F57-L133 HydrophobicContact CD1-CD1 3.36Å; F57-L133 HydrophobicContact CD1-CG 3.81Å; F57-L133 HydrophobicContact CE1-CD1 3.84Å; F57-L133 HydrophobicContact CE1-CG 4.35Å; F57-L133 HydrophobicContact CG-CD1 3.99Å; W59-L133 HydrophobicContact CE3-CD2 3.62Å; W59-L133 HydrophobicContact CZ3-CD2 3.86Å; V77-L133 HydrophobicContact CB-CD2 4.39Å; V77-L133 HydrophobicContact CG1-CD2 3.82Å; V77-L133 HydrophobicContact CG2-CD1 4.12Å; V77-L133 HydrophobicContact CG2-CD2 4.24Å; M79-L133 HydrophobicContact CG-CD1 4.45Å; M79-L133 HydrophobicContact SD-CB 4.3Å; M79-L133 HydrophobicContact SD-CD1 3.91Å; I88-L133 HydrophobicContact CD1-CD1 4.49Å; I88-L133 HydrophobicContact CG2-CD1 4.11Å; L133-Q135 VanDerWaalsContact C-N 3.3Å; L133-Q135 PolarHBondContact O-N 2.83Å; L133-F136 HydrophobicContact CD2-CD2 4.23Å; L133-F136 HydrophobicContact CD2-CE2 4.42Å; L133-F136 PolarHBondContact O-N 3.33Å | ||
| 134 | S | 78.6 | Confident | 76.7 | Confident | 51 Ų | 51 | 72.7 Ų | 72.7 | 36% | 0.357 | 40% | 0.396 | S | S | . | . | G | 310 helix | trans | -52.4 | -42.9 | -173.8 | 51 | 0 | 0 | 0 | 0 | 113.7 | S132 F136 W137 | S132-S134 WeakPolarHBondContact OG-CB 3.39Å; S132-S134 PolarHBondContact OG-N 2.88Å; S132-S134 PolarHBondContact OG-OG 3.32Å; S134-F136 PolarHBondContact O-N 3.37Å; S134-F136 VanDerWaalsContact O-N 3.11Å; S134-W137 PolarHBondContact O-N 3.04Å |
| 135 | Q | 77.7 | Confident | 74.5 | Confident | 118 Ų | 118 | 70.6 Ų | 70.6 | 55% | 0.551 | 39% | 0.391 | S | S | * | . | G | 310 helix | trans | -60.4 | -23.1 | -179.8 | -63.5 | 173.3 | 5.9 | 0 | 0 | 113.7 | L133 | L133-Q135 VanDerWaalsContact C-N 3.3Å; L133-Q135 PolarHBondContact O-N 2.83Å |
| 136 | F | 75.4 | Confident | 72.2 | Confident | 8 Ų | 8 | 74.9 Ų | 74.9 | 4% | 0.035 | 42% | 0.415 | C | S | . | . | G | 310 helix | trans | -97.5 | -6.5 | -179.5 | -47.9 | -57.1 | 0 | 0 | 0 | 112.5 | M79 I104 I116 Y118 L133 S134 F139 | M79-F136 HydrophobicContact CE-CB 3.79Å; M79-F136 HydrophobicContact CE-CD2 4.42Å; M79-F136 HydrophobicContact CE-CG 4.44Å; I104-F136 HydrophobicContact CD1-CD1 4.27Å; I104-F136 HydrophobicContact CD1-CE1 3.68Å; I104-F136 HydrophobicContact CG1-CD1 4.48Å; I104-F136 HydrophobicContact CG1-CE1 3.99Å; I116-F136 WeakPolarHBondContact CD1-O 3.12Å; Y118-F136 HydrophobicContact CD1-CE2 4.11Å; Y118-F136 HydrophobicContact CD1-CZ 4.11Å; Y118-F136 AromaticContact CD2-CE1 3.78Å; Y118-F136 HydrophobicContact CD2-CE1 3.78Å; Y118-F136 HydrophobicContact CD2-CE2 4.11Å; Y118-F136 AromaticContact CD2-CZ 3.33Å; Y118-F136 HydrophobicContact CD2-CZ 3.33Å; Y118-F136 HydrophobicContact CE1-CZ 4.43Å; Y118-F136 HydrophobicContact CE2-CE1 4.36Å; Y118-F136 AromaticContact CE2-CZ 3.72Å; Y118-F136 HydrophobicContact CE2-CZ 3.72Å; Y118-F136 HydrophobicContact CG-CE1 4.18Å; Y118-F136 AromaticContact CG-CE2 3.81Å; Y118-F136 HydrophobicContact CG-CE2 3.81Å; Y118-F136 AromaticContact CG-CZ 3.52Å; Y118-F136 HydrophobicContact CG-CZ 3.52Å; L133-F136 HydrophobicContact CD2-CD2 4.23Å; L133-F136 HydrophobicContact CD2-CE2 4.42Å; L133-F136 PolarHBondContact O-N 3.33Å; S134-F136 PolarHBondContact O-N 3.37Å; S134-F136 VanDerWaalsContact O-N 3.11Å; F136-F139 WeakPolarHBondContact O-CD2 3.25Å |
| 137 | W | 67.8 | Low | 70.2 | Confident | 27 Ų | 27 | 77 Ų | 77 | 10% | 0.102 | 43% | 0.428 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | -17.2 | -175.8 | -159.5 | -113 | 0 | 0 | 0 | 113.9 | P53 A54 M79 K81 T86 S134 F139 S140 | P53-W137 HydrophobicContact CG-CH2 3.94Å; P53-W137 HydrophobicContact CG-CZ2 4.19Å; P53-W137 HydrophobicContact CG-CZ3 4.24Å; A54-W137 HydrophobicContact CB-CB 3.82Å; A54-W137 HydrophobicContact CB-CD2 4.49Å; A54-W137 HydrophobicContact CB-CG 3.68Å; M79-W137 HydrophobicContact SD-CE3 4.48Å; K81-W137 HydrophobicContact CB-CH2 4.12Å; K81-W137 HydrophobicContact CD-CH2 3.55Å; K81-W137 HydrophobicContact CD-CZ2 3.76Å; K81-W137 HydrophobicContact CG-CH2 3.99Å; T86-W137 HydrophobicContact CG2-CH2 3.75Å; T86-W137 HydrophobicContact CG2-CZ3 3.91Å; T86-W137 WeakPolarHBondContact OG1-CH2 3.44Å; S134-W137 PolarHBondContact O-N 3.04Å; W137-F139 PolarHBondContact O-N 2.04Å; W137-S140 WeakPolarHBondContact O-CB 3.33Å; W137-S140 PolarHBondContact O-N 3.26Å |
| 138 | E | 62.1 | Low | 68.2 | Low | 158 Ų | 158 | 81 Ų | 81 | 74% | 0.738 | 46% | 0.456 | S | S | * | . | G | 310 helix | trans | -56.4 | -23.2 | 175.4 | -67.1 | -173.1 | 175.3 | 0 | 0 | 112.5 | S140 | E138-S140 PolarHBondContact O-N 3.45Š|
| 139 | F | 54.8 | Low | 66.4 | Low | 102 Ų | 102 | 82.5 Ų | 82.5 | 45% | 0.447 | 47% | 0.465 | S | S | . | . | G | 310 helix | trans | -71.4 | -8.6 | 175 | -58 | -66.3 | 0 | 0 | 0 | 114.8 | I116 F136 W137 | I116-F139 HydrophobicContact CD1-CB 3.94Å; I116-F139 HydrophobicContact CD1-CD2 4.2Å; I116-F139 HydrophobicContact CD1-CG 4.49Å; F136-F139 WeakPolarHBondContact O-CD2 3.25Å; W137-F139 PolarHBondContact O-N 2.04Å |
| 140 | S | 54.8 | Low | 65.8 | Low | 13 Ų | 13 | 83.7 Ų | 83.7 | 9% | 0.091 | 48% | 0.477 | C | S | . | . | G | 310 helix | trans | -86.2 | -17.3 | 179.5 | -178.7 | 0 | 0 | 0 | 0 | 113.9 | K81 W137 E138 | K81-S140 PolarHBondContact NZ-OG 3.4Å; W137-S140 WeakPolarHBondContact O-CB 3.33Å; W137-S140 PolarHBondContact O-N 3.26Å; E138-S140 PolarHBondContact O-N 3.45Å |
| 141 | E | 57.6 | Low | 65.7 | Low | 165 Ų | 165 | 84 Ų | 84 | 77% | 0.771 | 48% | 0.48 | S | S | * | . | trans | -102.9 | 104.5 | -174.3 | -65.9 | -165.3 | 179.7 | 0 | 0 | 110.6 | ||||
| 142 | T | 55 | Low | 66 | Low | 90 Ų | 90 | 84.2 Ų | 84.2 | 55% | 0.552 | 48% | 0.478 | S | S | * | . | trans | -132.2 | 130.7 | 158.5 | -51.3 | 0 | 0 | 0 | 0 | 108 | A144 | T142-A144 PolarHBondContact O-N 2.99Š| ||
| 143 | T | 48.9 | Very low | 66.5 | Low | 134 Ų | 134 | 82.5 Ų | 82.5 | 82% | 0.822 | 47% | 0.466 | S | S | * | . | trans | -51.9 | 123.8 | -177.4 | 33.2 | 0 | 0 | 0 | 0 | 111 | S145 | T143-S145 PolarHBondContact O-N 2.79Š| ||
| 144 | A | 49.6 | Very low | 67.3 | Low | 95 Ų | 95 | 84.3 Ų | 84.3 | 79% | 0.785 | 48% | 0.478 | S | S | * | . | trans | -57.3 | 112.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110 | T142 | T142-A144 PolarHBondContact O-N 2.99Š| ||
| 145 | S | 50.2 | Low | 68.2 | Low | 76 Ų | 76 | 82.6 Ų | 82.6 | 53% | 0.531 | 47% | 0.465 | S | S | . | . | trans | -67.4 | 136.5 | 170.7 | 177.5 | 0 | 0 | 0 | 0 | 109.9 | T143 M147 | T143-S145 PolarHBondContact O-N 2.79Å; S145-M147 PolarHBondContact O-N 3.03Å | ||
| 146 | T | 47 | Very low | 69.2 | Low | 138 Ų | 138 | 77.2 Ų | 77.2 | 85% | 0.847 | 44% | 0.44 | S | S | * | . | S | Bend | trans | -74.1 | 20.4 | -168.4 | 46.2 | 0 | 0 | 0 | 0 | 115.8 | ||
| 147 | M | 54.9 | Low | 70.2 | Confident | 137 Ų | 137 | 77 Ų | 77 | 68% | 0.675 | 44% | 0.44 | S | S | * | . | P | Polyproline II helix | trans | -97.4 | 120.2 | 174.5 | -77 | -86.7 | 105.8 | 0 | 0 | 110.6 | S145 T149 N172 | S145-M147 PolarHBondContact O-N 3.03Å; M147-T149 PolarHBondContact O-N 2.77Å; M147-N172 WeakPolarHBondContact O-CB 3.31Å |
| 148 | S | 53.8 | Low | 71.7 | Confident | 110 Ų | 110 | 76.5 Ų | 76.5 | 77% | 0.769 | 44% | 0.442 | S | S | * | . | P | Polyproline II helix | trans | -75.3 | 118.9 | -173.8 | -176.5 | 0 | 0 | 0 | 0 | 111.5 | ||
| 149 | T | 60.4 | Low | 73.4 | Confident | 31 Ų | 31 | 72 Ų | 72 | 19% | 0.19 | 42% | 0.422 | C | S | . | . | P | Polyproline II helix | trans | -93.4 | 140 | 160.4 | 77.3 | 0 | 0 | 0 | 0 | 108.2 | M147 L169 C170 | M147-T149 PolarHBondContact O-N 2.77Å; T149-L169 WeakPolarHBondContact O-CD1 3.48Å; T149-C170 PolarHBondContact OG1-O 2.87Å |
| 150 | T | 82.2 | Confident | 75.3 | Confident | 130 Ų | 130 | 68.5 Ų | 68.5 | 80% | 0.798 | 42% | 0.415 | S | S | * | . | trans | -88.2 | 10.5 | 172.9 | 52.3 | 0 | 0 | 0 | 0 | 112.5 | H152 | T150-H152 PolarHBondContact O-CD2 2.91Å; T150-H152 PolarHBondContact O-N 3.01Å | ||
| 151 | L | 92.1 | Very high | 77.4 | Confident | 49 Ų | 49 | 72.1 Ų | 72.1 | 26% | 0.257 | 44% | 0.436 | S | S | . | . | trans | -76.4 | 126 | -176.8 | -177.2 | 66.1 | 0 | 0 | 0 | 109.3 | C170 | L151-C170 HydrophobicContact CB-CB 4.12Å; L151-C170 HydrophobicContact CD2-CB 4.23Å; L151-C170 HydrophobicContact CG-CB 4.23Å; L151-C170 VanDerWaalsContact O-CB 3.31Å; L151-C170 WeakPolarHBondContact O-CB 3.35Å; L151-C170 PolarHBondContact O-N 2.9Å; L151-C170 PolarHBondContact O-SG 2.94Å | ||
| 152 | H | 95.5 | Very high | 79.2 | Confident | 99 Ų | 99 | 65.1 Ų | 65.1 | 46% | 0.458 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 137.1 | 169.4 | -68.5 | -104.9 | 0 | 0 | 0 | 109.9 | T150 S167 L168 L169 | T150-H152 PolarHBondContact O-CD2 2.91Å; T150-H152 PolarHBondContact O-N 3.01Å; H152-S167 WeakPolarHBondContact CB-OG 3.49Å; H152-L168 CarbonylContact C-O 3.47Å; H152-L168 WeakPolarHBondContact CA-O 3.22Å; H152-L169 PolarHBondContact ND1-N 3.24Å; H152-L169 WeakPolarHBondContact NE2-CD1 3.24Å |
| 153 | C | 96.5 | Very high | 81.2 | Confident | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 140.5 | 179.8 | -66.1 | 0 | 0 | 0 | 0 | 111.7 | T155 S167 L168 C170 C177 | C153-T155 PolarHBondContact O-N 2.8Å; C153-T155 PolarHBondContact O-OG1 3.05Å; C153-T155 VanDerWaalsContact O-OG1 3.05Å; C153-S167 WeakPolarHBondContact O-CA 3.2Å; C153-L168 PolarHBondContact N-O 2.91Å; C153-L168 PolarHBondContact O-N 2.86Å; C153-C170 PolarHBondContact SG-SG 2.9Å; C153-C177 WeakPolarHBondContact CA-SG 3.45Å; C153-C177 HydrophobicContact CB-CB 3.73Å; C153-C177 WeakPolarHBondContact CB-SG 3.45Å; C153-C177 WeakPolarHBondContact SG-CA 3.31Å; C153-C177 WeakPolarHBondContact SG-CB 3.36Å; C153-C177 CovalentContact SG-SG 2.03Å; C153-C177 PolarHBondContact SG-SG 3.21Å |
| 154 | P | 97.9 | Very high | 83.4 | Confident | 40 Ų | 40 | 69.1 Ų | 69.1 | 26% | 0.26 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -52.3 | 126 | 163.5 | -22.3 | 33 | 0 | 0 | 0 | 109.1 | A165 P166 K196 G197 | P154-A165 HydrophobicContact CB-CB 3.9Å; P154-P166 WeakPolarHBondContact CA-O 2.99Å; P154-K196 HydrophobicContact CB-CD 4.3Å; P154-K196 CarbonylContact O-C 3.56Å; P154-K196 VanDerWaalsContact O-C 3.3Å; P154-K196 VanDerWaalsContact O-CB 3.26Å; P154-K196 WeakPolarHBondContact O-CB 3.47Å; P154-G197 WeakPolarHBondContact O-CA 3.34Å; P154-G197 PolarHBondContact O-N 3.01Å; P154-G197 VanDerWaalsContact O-N 3.17Å |
| 155 | T | 97.9 | Very high | 85.7 | Confident | 14 Ų | 14 | 66.1 Ų | 66.1 | 9% | 0.086 | 39% | 0.385 | C | S | . | . | trans | -124.6 | 125.1 | -176.5 | -56.5 | 0 | 0 | 0 | 0 | 110 | A82 C153 P166 L168 K196 | A82-T155 HydrophobicContact CB-CG2 4.17Å; C153-T155 PolarHBondContact O-N 2.8Å; C153-T155 PolarHBondContact O-OG1 3.05Å; C153-T155 VanDerWaalsContact O-OG1 3.05Å; T155-P166 PolarHBondContact N-O 2.89Å; T155-P166 WeakPolarHBondContact O-CD 3.49Å; T155-L168 HydrophobicContact CG2-CD1 3.96Å; T155-K196 VanDerWaalsContact CA-O 3.32Å; T155-K196 WeakPolarHBondContact CA-O 3.47Å | ||
| 156 | C | 98 | Very high | 87.9 | Confident | 5 Ų | 5 | 66.2 Ų | 66.2 | 3% | 0.034 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -167.1 | 155.1 | 173.9 | 66.6 | 0 | 0 | 0 | 0 | 110.3 | A82 C162 N164 A165 K196 | A82-C156 WeakPolarHBondContact CB-O 3.06Å; C156-C162 HydrophobicContact CB-CB 3.67Å; C156-C162 WeakPolarHBondContact CB-SG 3.44Å; C156-C162 WeakPolarHBondContact SG-CB 3.49Å; C156-C162 CovalentContact SG-SG 2.03Å; C156-C162 PolarHBondContact SG-SG 3.29Å; C156-N164 WeakPolarHBondContact CB-O 3.44Å; C156-A165 HydrophobicContact CB-CB 4.06Å; C156-K196 PolarHBondContact N-O 3Å; C156-K196 PolarHBondContact O-N 2.91Å; C156-K196 VanDerWaalsContact O-O 3.14Å |
| 157 | V | 98.1 | Very high | 90.3 | Very high | 4 Ų | 4 | 63.2 Ų | 63.2 | 2% | 0.024 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 134.1 | 161.6 | 59.5 | 0 | 0 | 0 | 0 | 108.3 | V49 I80 A82 E85 A87 V193 E194 V195 | V49-V157 HydrophobicContact CG1-CG1 4.26Å; I80-V157 HydrophobicContact CB-CG2 4.45Å; I80-V157 HydrophobicContact CG2-CG2 4.04Å; A82-V157 HydrophobicContact CB-CB 3.86Å; A82-V157 HydrophobicContact CB-CG1 4.1Å; E85-V157 HydrophobicContact CB-CG1 3.63Å; E85-V157 WeakPolarHBondContact O-CG1 3.21Å; A87-V157 HydrophobicContact CB-CG2 3.5Å; V157-V193 HydrophobicContact CG2-CG1 3.82Å; V157-E194 WeakPolarHBondContact CA-O 3.41Å; V157-V195 HydrophobicContact CG2-CG2 4.33Å |
| 158 | A | 97.8 | Very high | 92.2 | Very high | 17 Ų | 17 | 60.2 Ų | 60.2 | 14% | 0.14 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 143 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112 | G160 C162 V193 E194 | A158-G160 PolarHBondContact O-N 2.83Å; A158-C162 HydrophobicContact CB-CB 4.48Å; A158-V193 CarbonylContact O-C 3.52Å; A158-V193 WeakPolarHBondContact O-CA 2.99Å; A158-E194 PolarHBondContact N-O 2.69Å; A158-E194 PolarHBondContact O-N 3.14Å |
| 159 | L | 97.6 | Very high | 94.1 | Very high | 63 Ų | 63 | 59.9 Ų | 59.9 | 33% | 0.33 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 123.6 | 160.5 | -57.3 | 176.3 | 0 | 0 | 0 | 108.2 | M47 V49 T161 V193 | M47-L159 HydrophobicContact CB-CD1 3.88Å; M47-L159 HydrophobicContact CB-CD2 4.4Å; M47-L159 WeakPolarHBondContact O-CD1 3.32Å; V49-L159 HydrophobicContact CG2-CG 4Å; L159-T161 PolarHBondContact O-N 2.9Å; L159-V193 HydrophobicContact CD2-CG2 4.16Å |
| 160 | G | 96.6 | Very high | 95.7 | Very high | 28 Ų | 28 | 58.8 Ų | 58.8 | 29% | 0.289 | 34% | 0.337 | S | S | . | . | S | Bend | trans | 80.7 | -105.6 | -169.1 | 0 | 0 | 0 | 0 | 0 | 112 | A158 S192 E194 | A158-G160 PolarHBondContact O-N 2.83Å; G160-S192 WeakPolarHBondContact CA-O 3.44Å; G160-S192 PolarHBondContact N-O 3.28Å; G160-S192 PolarHBondContact O-OG 2.62Å; G160-E194 WeakPolarHBondContact O-CB 3.38Å; G160-E194 PolarHBondContact O-N 2.77Å |
| 161 | T | 96.9 | Very high | 96.1 | Very high | 89 Ų | 89 | 54.9 Ų | 54.9 | 55% | 0.546 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -132.1 | 142.9 | -174.6 | 53.8 | 0 | 0 | 0 | 0 | 111.8 | L159 F163 E194 | L159-T161 PolarHBondContact O-N 2.9Å; T161-F163 PolarHBondContact O-N 2.88Å; T161-E194 WeakPolarHBondContact CA-OE2 3.47Å; T161-E194 VanDerWaalsContact CB-OE2 3.3Å; T161-E194 WeakPolarHBondContact CB-OE2 3.47Å |
| 162 | C | 97.4 | Very high | 95.9 | Very high | 19 Ų | 19 | 55.4 Ų | 55.4 | 13% | 0.128 | 32% | 0.317 | C | S | . | . | trans | -67.1 | 124.3 | 176.7 | -59.8 | 0 | 0 | 0 | 0 | 110.6 | C156 A158 E194 | C156-C162 HydrophobicContact CB-CB 3.67Å; C156-C162 WeakPolarHBondContact CB-SG 3.44Å; C156-C162 WeakPolarHBondContact SG-CB 3.49Å; C156-C162 CovalentContact SG-SG 2.03Å; C156-C162 PolarHBondContact SG-SG 3.29Å; A158-C162 HydrophobicContact CB-CB 4.48Å; C162-E194 PolarHBondContact N-OE2 2.83Å | ||
| 163 | F | 95.9 | Very high | 95.4 | Very high | 191 Ų | 191 | 52.7 Ų | 52.7 | 84% | 0.838 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -64.8 | -43 | 172 | 179.7 | -105 | 0 | 0 | 0 | 111.4 | T161 | T161-F163 PolarHBondContact O-N 2.88Š|
| 164 | N | 95.8 | Very high | 95.2 | Very high | 117 Ų | 117 | 53 Ų | 53 | 63% | 0.626 | 32% | 0.318 | S | S | * | . | trans | -137.9 | 155.7 | 175.6 | -76.5 | -41.2 | 0 | 0 | 0 | 110.3 | C156 | C156-N164 WeakPolarHBondContact CB-O 3.44Š| ||
| 165 | A | 97.4 | Very high | 94.9 | Very high | 32 Ų | 32 | 55.7 Ų | 55.7 | 26% | 0.264 | 33% | 0.334 | S | S | . | . | trans | -142.3 | 79.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | P154 C156 K196 | P154-A165 HydrophobicContact CB-CB 3.9Å; C156-A165 HydrophobicContact CB-CB 4.06Å; A165-K196 HydrophobicContact CB-CD 3.99Å | ||
| 166 | P | 97.1 | Very high | 94.7 | Very high | 77 Ų | 77 | 59.5 Ų | 59.5 | 50% | 0.5 | 35% | 0.347 | S | S | . | . | trans | -59.6 | 146.8 | -179.9 | 26 | -34.8 | 0 | 0 | 0 | 111.4 | P154 T155 L168 | P154-P166 WeakPolarHBondContact CA-O 2.99Å; T155-P166 PolarHBondContact N-O 2.89Å; T155-P166 WeakPolarHBondContact O-CD 3.49Å; P166-L168 HydrophobicContact CB-CD2 4.28Å; P166-L168 HydrophobicContact CG-CD2 4.34Å; P166-L168 PolarHBondContact O-N 3.41Å | ||
| 167 | S | 97.1 | Very high | 94.6 | Very high | 75 Ų | 75 | 61.2 Ų | 61.2 | 52% | 0.524 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 99.5 | -179.7 | -169.3 | 0 | 0 | 0 | 0 | 110.4 | H152 C153 | H152-S167 WeakPolarHBondContact CB-OG 3.49Å; C153-S167 WeakPolarHBondContact O-CA 3.2Å |
| 168 | L | 94.2 | Very high | 94.6 | Very high | 74 Ų | 74 | 61.4 Ų | 61.4 | 39% | 0.387 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 150.9 | -176.9 | -56 | -174 | 0 | 0 | 0 | 111.4 | H152 C153 T155 P166 | H152-L168 CarbonylContact C-O 3.47Å; H152-L168 WeakPolarHBondContact CA-O 3.22Å; C153-L168 PolarHBondContact N-O 2.91Å; C153-L168 PolarHBondContact O-N 2.86Å; T155-L168 HydrophobicContact CG2-CD1 3.96Å; P166-L168 HydrophobicContact CB-CD2 4.28Å; P166-L168 HydrophobicContact CG-CD2 4.34Å; P166-L168 PolarHBondContact O-N 3.41Å |
| 169 | L | 94 | Very high | 94.5 | Very high | 104 Ų | 104 | 64.9 Ų | 64.9 | 55% | 0.545 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 132.8 | 172.9 | -174.7 | 70.2 | 0 | 0 | 0 | 109.5 | T149 H152 | T149-L169 WeakPolarHBondContact O-CD1 3.48Å; H152-L169 PolarHBondContact ND1-N 3.24Å; H152-L169 WeakPolarHBondContact NE2-CD1 3.24Å |
| 170 | C | 93.6 | Very high | 94.5 | Very high | 7 Ų | 7 | 62.2 Ų | 62.2 | 5% | 0.047 | 36% | 0.359 | C | S | . | . | P | Polyproline II helix | trans | -82.8 | 143.5 | -176.9 | -68.8 | 0 | 0 | 0 | 0 | 113.4 | T149 L151 C153 T174 C198 | T149-C170 PolarHBondContact OG1-O 2.87Å; L151-C170 HydrophobicContact CB-CB 4.12Å; L151-C170 HydrophobicContact CD2-CB 4.23Å; L151-C170 HydrophobicContact CG-CB 4.23Å; L151-C170 VanDerWaalsContact O-CB 3.31Å; L151-C170 WeakPolarHBondContact O-CB 3.35Å; L151-C170 PolarHBondContact O-N 2.9Å; L151-C170 PolarHBondContact O-SG 2.94Å; C153-C170 PolarHBondContact SG-SG 2.9Å; C170-T174 VanDerWaalsContact CB-OG1 3.27Å; C170-T174 WeakPolarHBondContact CB-OG1 3.26Å; C170-C198 WeakPolarHBondContact CA-SG 3.42Å; C170-C198 HydrophobicContact CB-CB 3.62Å; C170-C198 WeakPolarHBondContact CB-SG 3.43Å; C170-C198 WeakPolarHBondContact SG-CB 3.27Å; C170-C198 CovalentContact SG-SG 2.03Å; C170-C198 PolarHBondContact SG-SG 3.17Å |
| 171 | P | 90.6 | Very high | 94.6 | Very high | 48 Ų | 48 | 64.2 Ų | 64.2 | 31% | 0.312 | 36% | 0.36 | S | S | . | . | P | Polyproline II helix | trans | -65.8 | 151.7 | 173.1 | 27.2 | -32.5 | 0 | 0 | 0 | 111 | P111 T174 | P111-P171 HydrophobicContact CB-CB 4.06Å; P111-P171 HydrophobicContact CB-CG 3.93Å; P171-T174 HydrophobicContact CG-CG2 3.91Å; P171-T174 PolarHBondContact O-N 2.87Å; P171-T174 PolarHBondContact O-OG1 3.25Å |
| 172 | N | 87.2 | Confident | 94.7 | Very high | 60 Ų | 60 | 60 Ų | 60 | 32% | 0.321 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | 144.2 | 177.6 | -169.6 | 20.9 | 0 | 0 | 0 | 111.1 | P111 M147 | P111-N172 WeakPolarHBondContact CB-O 3.47Å; P111-N172 WeakPolarHBondContact CG-O 3.38Å; M147-N172 WeakPolarHBondContact O-CB 3.31Å |
| 173 | G | 86.6 | Confident | 94.7 | Very high | 43 Ų | 43 | 62.7 Ų | 62.7 | 44% | 0.443 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.6 | -10.2 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 174 | T | 91.7 | Very high | 94.8 | Very high | 7 Ų | 7 | 53.6 Ų | 53.6 | 4% | 0.043 | 31% | 0.305 | C | S | . | . | trans | -84.8 | 149.4 | 169.5 | 62.9 | 0 | 0 | 0 | 0 | 111.3 | P111 C170 P171 C198 | P111-T174 HydrophobicContact CB-CG2 4.12Å; P111-T174 HydrophobicContact CG-CG2 3.94Å; P111-T174 VanDerWaalsContact O-CG2 3.3Å; P111-T174 WeakPolarHBondContact O-CG2 3.35Å; C170-T174 VanDerWaalsContact CB-OG1 3.27Å; C170-T174 WeakPolarHBondContact CB-OG1 3.26Å; P171-T174 HydrophobicContact CG-CG2 3.91Å; P171-T174 PolarHBondContact O-N 2.87Å; P171-T174 PolarHBondContact O-OG1 3.25Å; T174-C198 HydrophobicContact CG2-CB 3.82Å | ||
| 175 | T | 91.9 | Very high | 94.9 | Very high | 96 Ų | 96 | 51.3 Ų | 51.3 | 59% | 0.589 | 30% | 0.295 | S | S | * | . | trans | -127.2 | -8.1 | -173.5 | 62.2 | 0 | 0 | 0 | 0 | 114 | T199 | T175-T199 PolarHBondContact N-O 3.05Š| ||
| 176 | R | 93.4 | Very high | 94.9 | Very high | 93 Ų | 93 | 51.2 Ų | 51.2 | 35% | 0.351 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -162 | 167.4 | -175.3 | 55.2 | -175.2 | 52.8 | -158.8 | -9 | 112.8 | T199 T201 | R176-T199 HydrophobicContact CG-CG2 3.99Å; R176-T199 PolarHBondContact N-O 3.2Å; R176-T199 PolarHBondContact O-N 2.94Å; R176-T201 WeakPolarHBondContact CD-O 3.41Å |
| 177 | C | 95.8 | Very high | 94.6 | Very high | 41 Ų | 41 | 49.4 Ų | 49.4 | 28% | 0.277 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 135.3 | 168.3 | -50.2 | 0 | 0 | 0 | 0 | 110.5 | C153 G197 | C153-C177 WeakPolarHBondContact CA-SG 3.45Å; C153-C177 HydrophobicContact CB-CB 3.73Å; C153-C177 WeakPolarHBondContact CB-SG 3.45Å; C153-C177 WeakPolarHBondContact SG-CA 3.31Å; C153-C177 WeakPolarHBondContact SG-CB 3.36Å; C153-C177 CovalentContact SG-SG 2.03Å; C153-C177 PolarHBondContact SG-SG 3.21Å; C177-G197 WeakPolarHBondContact CA-O 3.35Å |
| 178 | Y | 97.3 | Very high | 94.3 | Very high | 8 Ų | 8 | 49 Ų | 49 | 3% | 0.031 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 141.9 | 168.4 | 174.4 | -86.9 | 0 | 0 | 0 | 109.7 | L113 V195 K196 G197 L206 E220 | L113-Y178 HydrophobicContact CD1-CD1 3.38Å; L113-Y178 HydrophobicContact CD1-CE1 4.24Å; L113-Y178 HydrophobicContact CD1-CG 3.73Å; Y178-V195 HydrophobicContact CE1-CB 4.13Å; Y178-V195 HydrophobicContact CE1-CG1 4.39Å; Y178-V195 WeakPolarHBondContact CE1-O 3.38Å; Y178-K196 WeakPolarHBondContact O-CA 3.49Å; Y178-G197 PolarHBondContact N-O 3.21Å; Y178-G197 PolarHBondContact O-N 3.06Å; Y178-G197 VanDerWaalsContact O-N 3.14Å; Y178-L206 HydrophobicContact CE1-CB 4.34Å; Y178-L206 HydrophobicContact CE1-CD2 3.79Å; Y178-L206 HydrophobicContact CE1-CG 4.47Å; Y178-L206 HydrophobicContact CE2-CB 3.85Å; Y178-E220 WeakPolarHBondContact CE2-OE1 3.31Å; Y178-E220 WeakPolarHBondContact OH-CG 3.39Å; Y178-E220 PolarHBondContact OH-OE1 3.47Å |
| 179 | Q | 97.3 | Very high | 94.3 | Very high | 91 Ų | 91 | 45.7 Ų | 45.7 | 43% | 0.425 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 121.2 | 170.5 | -60.9 | 178.2 | 53.7 | 0 | 0 | 107.4 | K196 P223 | Q179-K196 HydrophobicContact CB-CG 4.27Å; Q179-K196 HydrophobicContact CG-CB 4.44Å; Q179-K196 HydrophobicContact CG-CD 4.23Å; Q179-K196 HydrophobicContact CG-CG 4Å; Q179-P223 WeakPolarHBondContact O-CD 3.45Å |
| 180 | G | 97.3 | Very high | 94.4 | Very high | 6 Ų | 6 | 49 Ų | 49 | 6% | 0.062 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.1 | 176.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | V195 V221 | G180-V195 PolarHBondContact N-O 2.86Å; G180-V195 PolarHBondContact O-N 3.47Å; G180-V221 CarbonylContact C-O 3.5Å; G180-V221 WeakPolarHBondContact CA-O 3.47Å |
| 181 | K | 98.1 | Very high | 94.5 | Very high | 70 Ų | 70 | 49.9 Ų | 49.9 | 30% | 0.304 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 141.3 | 174.4 | -66.7 | -171.7 | 174.9 | -168 | 0 | 109.7 | V193 E194 V221 | K181-V193 CarbonylContact C-O 3.59Å; K181-V193 VanDerWaalsContact CA-O 3.28Å; K181-V193 WeakPolarHBondContact CA-O 3.41Å; K181-E194 HydrophobicContact CG-CB 4.23Å; K181-E194 HydrophobicContact CG-CG 4.25Å; K181-V221 PolarHBondContact N-O 3.17Å; K181-V221 PolarHBondContact O-N 3.47Å |
| 182 | L | 98.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 112.3 | 169.7 | -56.1 | -176.6 | 0 | 0 | 0 | 107.8 | I80 I184 S192 V193 L206 M207 V218 E220 | I80-L182 HydrophobicContact CD1-CD1 3.58Å; I80-L182 HydrophobicContact CG1-CD1 4.18Å; L182-I184 HydrophobicContact CB-CD1 4.3Å; L182-I184 HydrophobicContact CB-CG1 4.23Å; L182-S192 CarbonylContact O-C 3.59Å; L182-S192 VanDerWaalsContact O-CA 3.31Å; L182-S192 WeakPolarHBondContact O-CA 3.26Å; L182-V193 HydrophobicContact CB-CB 4.36Å; L182-V193 PolarHBondContact N-O 2.82Å; L182-V193 PolarHBondContact O-N 3.19Å; L182-L206 HydrophobicContact CD1-CD2 4.4Å; L182-M207 HydrophobicContact CD1-CG 4.31Å; L182-M207 HydrophobicContact CD1-SD 3.93Å; L182-M207 HydrophobicContact CD2-CG 3.8Å; L182-M207 HydrophobicContact CD2-SD 4.49Å; L182-V218 HydrophobicContact CB-CG1 4.04Å; L182-V218 HydrophobicContact CD1-CG1 4.36Å; L182-V218 HydrophobicContact CD2-CG1 4.2Å; L182-V218 HydrophobicContact CG-CG1 4.43Å; L182-E220 HydrophobicContact CD2-CB 3.84Å; L182-E220 HydrophobicContact CD2-CG 3.66Å |
| 183 | E | 98.3 | Very high | 95.4 | Very high | 76 Ų | 76 | 45.8 Ų | 45.8 | 36% | 0.355 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 119.7 | 170.9 | -55 | -66.1 | 169.5 | 0 | 0 | 107.6 | S192 R219 V221 | E183-S192 WeakPolarHBondContact OE2-CB 3.2Å; E183-R219 HydrophobicContact CB-CB 4.3Å; E183-R219 PolarHBondContact N-O 2.82Å; E183-R219 PolarHBondContact O-N 2.86Å; E183-V221 HydrophobicContact CG-CG2 4.24Å |
| 184 | I | 98.4 | Very high | 96 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 125.9 | -169.6 | -55.3 | 172.3 | 0 | 0 | 0 | 109.1 | L78 L89 L182 I189 E190 S191 V193 M216 F217 V218 | L78-I184 HydrophobicContact CD2-CD1 4Å; L89-I184 HydrophobicContact CD1-CD1 4.07Å; L89-I184 HydrophobicContact CD2-CD1 3.55Å; L89-I184 HydrophobicContact CD2-CG2 4.39Å; L89-I184 HydrophobicContact CG-CD1 4.43Å; L182-I184 HydrophobicContact CB-CD1 4.3Å; L182-I184 HydrophobicContact CB-CG1 4.23Å; I184-I189 HydrophobicContact CB-CG2 4.33Å; I184-I189 HydrophobicContact CG2-CG2 3.81Å; I184-E190 WeakPolarHBondContact O-CA 3.45Å; I184-S191 PolarHBondContact N-O 3.26Å; I184-S191 PolarHBondContact O-N 2.89Å; I184-V193 HydrophobicContact CD1-CG2 3.83Å; I184-M216 HydrophobicContact CG2-CB 4.22Å; I184-M216 HydrophobicContact CG2-CG 4.23Å; I184-M216 HydrophobicContact CG2-SD 3.94Å; I184-F217 WeakPolarHBondContact CA-O 3.3Å; I184-V218 HydrophobicContact CG1-CG1 4.16Å; I184-V218 HydrophobicContact CG1-CG2 4.27Å; I184-V218 HydrophobicContact CG2-CG2 4.43Å |
| 185 | T | 98 | Very high | 96.3 | Very high | 68 Ų | 68 | 44.6 Ų | 44.6 | 42% | 0.417 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 147.2 | 179.2 | 56.9 | 0 | 0 | 0 | 0 | 110.9 | I189 F217 | T185-I189 CarbonylContact C-O 3.56Å; T185-I189 VanDerWaalsContact CA-O 3.25Å; T185-I189 WeakPolarHBondContact CA-O 3.45Å; T185-F217 PolarHBondContact N-O 2.03Å; T185-F217 PolarHBondContact O-N 3Å |
| 186 | G | 96.4 | Very high | 96.6 | Very high | 30 Ų | 30 | 41.8 Ų | 41.8 | 31% | 0.309 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 111.3 | 160.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113 | G188 I189 P215 | G186-G188 PolarHBondContact O-N 2.88Å; G186-I189 PolarHBondContact N-O 3.11Å; G186-I189 PolarHBondContact O-N 3.09Å; G186-P215 CarbonylContact C-O 3.31Å |
| 187 | G | 90.3 | Very high | 96.8 | Very high | 39 Ų | 39 | 37.4 Ų | 37.4 | 40% | 0.402 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.9 | 30.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | M91 I189 | M91-G187 WeakPolarHBondContact CE-O 3.27Å; G187-I189 VanDerWaalsContact C-N 3.29Å; G187-I189 PolarHBondContact O-N 3.36Å |
| 188 | G | 92.4 | Very high | 96.8 | Very high | 68 Ų | 68 | 35.8 Ų | 35.8 | 70% | 0.701 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 80.7 | -0.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | L45 G186 | L45-G188 WeakPolarHBondContact CD2-O 3.24Å; G186-G188 PolarHBondContact O-N 2.88Å |
| 189 | I | 93.5 | Very high | 96.6 | Very high | 4 Ų | 4 | 35.6 Ų | 35.6 | 2% | 0.021 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 133.2 | 174 | -63.7 | -176.2 | 0 | 0 | 0 | 110.1 | L45 M47 L89 M91 I184 T185 G186 G187 M216 | L45-I189 HydrophobicContact CD1-CD1 3.96Å; L45-I189 HydrophobicContact CD1-CG1 3.4Å; L45-I189 HydrophobicContact CG-CG1 4.37Å; M47-I189 HydrophobicContact CG-CD1 4.46Å; M47-I189 HydrophobicContact SD-CG1 4.46Å; M47-I189 HydrophobicContact SD-CG2 3.91Å; L89-I189 HydrophobicContact CB-CD1 3.97Å; L89-I189 HydrophobicContact CD2-CD1 4.24Å; L89-I189 HydrophobicContact CD2-CG2 3.98Å; M91-I189 HydrophobicContact CE-CB 4.25Å; M91-I189 HydrophobicContact CE-CD1 3.36Å; M91-I189 HydrophobicContact CE-CG1 3.58Å; I184-I189 HydrophobicContact CB-CG2 4.33Å; I184-I189 HydrophobicContact CG2-CG2 3.81Å; T185-I189 CarbonylContact C-O 3.56Å; T185-I189 VanDerWaalsContact CA-O 3.25Å; T185-I189 WeakPolarHBondContact CA-O 3.45Å; G186-I189 PolarHBondContact N-O 3.11Å; G186-I189 PolarHBondContact O-N 3.09Å; G187-I189 VanDerWaalsContact C-N 3.29Å; G187-I189 PolarHBondContact O-N 3.36Å; I189-M216 HydrophobicContact CD1-SD 3.91Å |
| 190 | E | 96 | Very high | 96.4 | Very high | 174 Ų | 174 | 33.5 Ų | 33.5 | 81% | 0.813 | 21% | 0.213 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 100.4 | 163.9 | -174.6 | 175.7 | -173.1 | 0 | 0 | 107.6 | I184 | I184-E190 WeakPolarHBondContact O-CA 3.45Å |
| 191 | S | 96.3 | Very high | 96 | Very high | 25 Ų | 25 | 34.7 Ų | 34.7 | 18% | 0.175 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 160.2 | -173 | -167.2 | 0 | 0 | 0 | 0 | 112.2 | I184 | I184-S191 PolarHBondContact N-O 3.26Å; I184-S191 PolarHBondContact O-N 2.89Å |
| 192 | S | 97.7 | Very high | 95.6 | Very high | 22 Ų | 22 | 37.4 Ų | 37.4 | 15% | 0.154 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 141.6 | 170 | 161.1 | 0 | 0 | 0 | 0 | 108.4 | G160 L182 E183 | G160-S192 WeakPolarHBondContact CA-O 3.44Å; G160-S192 PolarHBondContact N-O 3.28Å; G160-S192 PolarHBondContact O-OG 2.62Å; L182-S192 CarbonylContact O-C 3.59Å; L182-S192 VanDerWaalsContact O-CA 3.31Å; L182-S192 WeakPolarHBondContact O-CA 3.26Å; E183-S192 WeakPolarHBondContact OE2-CB 3.2Å |
| 193 | V | 98.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 113.9 | 170.9 | -172.4 | 0 | 0 | 0 | 0 | 109.3 | I80 A87 L89 V157 A158 L159 K181 L182 I184 V195 | I80-V193 HydrophobicContact CD1-CB 4.36Å; I80-V193 HydrophobicContact CD1-CG1 4.04Å; I80-V193 HydrophobicContact CD1-CG2 4.38Å; A87-V193 HydrophobicContact CB-CG1 4.06Å; L89-V193 HydrophobicContact CD1-CG2 3.96Å; L89-V193 HydrophobicContact CD2-CG2 4.4Å; V157-V193 HydrophobicContact CG2-CG1 3.82Å; A158-V193 CarbonylContact O-C 3.52Å; A158-V193 WeakPolarHBondContact O-CA 2.99Å; L159-V193 HydrophobicContact CD2-CG2 4.16Å; K181-V193 CarbonylContact C-O 3.59Å; K181-V193 VanDerWaalsContact CA-O 3.28Å; K181-V193 WeakPolarHBondContact CA-O 3.41Å; L182-V193 HydrophobicContact CB-CB 4.36Å; L182-V193 PolarHBondContact N-O 2.82Å; L182-V193 PolarHBondContact O-N 3.19Å; I184-V193 HydrophobicContact CD1-CG2 3.83Å; V193-V195 HydrophobicContact CG1-CG2 3.92Å |
| 194 | E | 98.5 | Very high | 95 | Very high | 25 Ų | 25 | 38.3 Ų | 38.3 | 12% | 0.117 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 133 | 171 | -172.6 | 173.5 | -173.6 | 0 | 0 | 109.9 | V157 A158 G160 T161 C162 K181 K196 | V157-E194 WeakPolarHBondContact CA-O 3.41Å; A158-E194 PolarHBondContact N-O 2.69Å; A158-E194 PolarHBondContact O-N 3.14Å; G160-E194 WeakPolarHBondContact O-CB 3.38Å; G160-E194 PolarHBondContact O-N 2.77Å; T161-E194 WeakPolarHBondContact CA-OE2 3.47Å; T161-E194 VanDerWaalsContact CB-OE2 3.3Å; T161-E194 WeakPolarHBondContact CB-OE2 3.47Å; C162-E194 PolarHBondContact N-OE2 2.83Å; K181-E194 HydrophobicContact CG-CB 4.23Å; K181-E194 HydrophobicContact CG-CG 4.25Å; E194-K196 WeakPolarHBondContact OE1-CE 3.44Å; E194-K196 IonicContact OE1-NZ 2.69Å; E194-K196 PolarHBondContact OE1-NZ 3.19Å |
| 195 | V | 98.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 127 | -176.3 | -170.9 | 0 | 0 | 0 | 0 | 109.7 | I80 L113 V157 Y178 G180 V193 L206 | I80-V195 HydrophobicContact CG2-CG1 4.02Å; I80-V195 HydrophobicContact CG2-CG2 3.65Å; L113-V195 HydrophobicContact CD1-CG1 3.92Å; L113-V195 HydrophobicContact CD2-CG1 3.7Å; L113-V195 HydrophobicContact CG-CG1 4.43Å; V157-V195 HydrophobicContact CG2-CG2 4.33Å; Y178-V195 HydrophobicContact CE1-CB 4.13Å; Y178-V195 HydrophobicContact CE1-CG1 4.39Å; Y178-V195 WeakPolarHBondContact CE1-O 3.38Å; G180-V195 PolarHBondContact N-O 2.86Å; G180-V195 PolarHBondContact O-N 3.47Å; V193-V195 HydrophobicContact CG1-CG2 3.92Å; V195-L206 HydrophobicContact CB-CD2 4.16Å; V195-L206 HydrophobicContact CG1-CD2 3.98Å; V195-L206 HydrophobicContact CG2-CD2 4.23Å |
| 196 | K | 98.2 | Very high | 94.9 | Very high | 36 Ų | 36 | 42.9 Ų | 42.9 | 16% | 0.157 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 141.7 | 172.7 | -57.1 | -178.6 | 177.3 | 142.9 | 0 | 109.6 | P154 T155 C156 A165 Y178 Q179 E194 | P154-K196 HydrophobicContact CB-CD 4.3Å; P154-K196 CarbonylContact O-C 3.56Å; P154-K196 VanDerWaalsContact O-C 3.3Å; P154-K196 VanDerWaalsContact O-CB 3.26Å; P154-K196 WeakPolarHBondContact O-CB 3.47Å; T155-K196 VanDerWaalsContact CA-O 3.32Å; T155-K196 WeakPolarHBondContact CA-O 3.47Å; C156-K196 PolarHBondContact N-O 3Å; C156-K196 PolarHBondContact O-N 2.91Å; C156-K196 VanDerWaalsContact O-O 3.14Å; A165-K196 HydrophobicContact CB-CD 3.99Å; Y178-K196 WeakPolarHBondContact O-CA 3.49Å; Q179-K196 HydrophobicContact CB-CG 4.27Å; Q179-K196 HydrophobicContact CG-CB 4.44Å; Q179-K196 HydrophobicContact CG-CD 4.23Å; Q179-K196 HydrophobicContact CG-CG 4Å; E194-K196 WeakPolarHBondContact OE1-CE 3.44Å; E194-K196 IonicContact OE1-NZ 2.69Å; E194-K196 PolarHBondContact OE1-NZ 3.19Å |
| 197 | G | 97.1 | Very high | 94.9 | Very high | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.01 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 167.9 | -173.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | P154 C177 Y178 | P154-G197 WeakPolarHBondContact O-CA 3.34Å; P154-G197 PolarHBondContact O-N 3.01Å; P154-G197 VanDerWaalsContact O-N 3.17Å; C177-G197 WeakPolarHBondContact CA-O 3.35Å; Y178-G197 PolarHBondContact N-O 3.21Å; Y178-G197 PolarHBondContact O-N 3.06Å; Y178-G197 VanDerWaalsContact O-N 3.14Å |
| 198 | C | 95.4 | Very high | 95.2 | Very high | 7 Ų | 7 | 42.8 Ų | 42.8 | 5% | 0.047 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 143.3 | 177.6 | -48.2 | 0 | 0 | 0 | 0 | 110.5 | G112 L113 C170 T174 | G112-C198 CarbonylContact C-O 3.5Å; G112-C198 VanDerWaalsContact CA-O 3.28Å; G112-C198 WeakPolarHBondContact CA-O 3.36Å; L113-C198 PolarHBondContact N-O 2.9Å; C170-C198 WeakPolarHBondContact CA-SG 3.42Å; C170-C198 HydrophobicContact CB-CB 3.62Å; C170-C198 WeakPolarHBondContact CB-SG 3.43Å; C170-C198 WeakPolarHBondContact SG-CB 3.27Å; C170-C198 CovalentContact SG-SG 2.03Å; C170-C198 PolarHBondContact SG-SG 3.17Å; T174-C198 HydrophobicContact CG2-CB 3.82Å |
| 199 | T | 94.7 | Very high | 95.4 | Very high | 4 Ų | 4 | 42.3 Ų | 42.3 | 3% | 0.025 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 157.8 | 173.2 | -168 | 0 | 0 | 0 | 0 | 112.2 | T175 R176 T201 | T175-T199 PolarHBondContact N-O 3.05Å; R176-T199 HydrophobicContact CG-CG2 3.99Å; R176-T199 PolarHBondContact N-O 3.2Å; R176-T199 PolarHBondContact O-N 2.94Å; T199-T201 VanDerWaalsContact OG1-CB 3.29Å; T199-T201 WeakPolarHBondContact OG1-CB 3.4Å; T199-T201 PolarHBondContact OG1-N 3.27Å; T199-T201 PolarHBondContact OG1-OG1 3.02Å |
| 200 | A | 91.6 | Very high | 95.6 | Very high | 48 Ų | 48 | 45.2 Ų | 45.2 | 40% | 0.397 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -91.3 | -16.2 | 162.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | I202 | A200-I202 PolarHBondContact O-N 3.23Š|
| 201 | T | 89.4 | Confident | 95.7 | Very high | 30 Ų | 30 | 40.9 Ų | 40.9 | 18% | 0.184 | 25% | 0.246 | C | C | . | . | trans | -63.7 | 130.6 | -177.1 | -61.8 | 0 | 0 | 0 | 0 | 111.4 | R176 T199 R205 | R176-T201 WeakPolarHBondContact CD-O 3.41Å; T199-T201 VanDerWaalsContact OG1-CB 3.29Å; T199-T201 WeakPolarHBondContact OG1-CB 3.4Å; T199-T201 PolarHBondContact OG1-N 3.27Å; T199-T201 PolarHBondContact OG1-OG1 3.02Å; T201-R205 HydrophobicContact CG2-CB 3.65Å; T201-R205 WeakPolarHBondContact CG2-O 3.37Å | ||
| 202 | I | 89.9 | Confident | 95.7 | Very high | 127 Ų | 127 | 43 Ų | 43 | 65% | 0.651 | 27% | 0.265 | S | S | * | . | trans | -89.1 | 120.8 | -179.2 | -58.8 | 174.9 | 0 | 0 | 0 | 110 | A200 | A200-I202 PolarHBondContact O-N 3.23Š| ||
| 203 | G | 89.9 | Confident | 95.8 | Very high | 42 Ų | 42 | 42.1 Ų | 42.1 | 43% | 0.433 | 26% | 0.259 | S | S | . | . | S | Bend | trans | 83.9 | -153.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | R205 | G203-R205 PolarHBondContact O-N 3.11Š|
| 204 | C | 94.6 | Very high | 95.7 | Very high | 54 Ų | 54 | 43.5 Ų | 43.5 | 37% | 0.365 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -93.5 | 77.7 | 178 | -161.2 | 0 | 0 | 0 | 0 | 108.8 | E220 C222 | C204-E220 WeakPolarHBondContact CA-OE1 3.32Å; C204-C222 WeakPolarHBondContact CA-SG 3.49Å; C204-C222 HydrophobicContact CB-CB 3.64Å; C204-C222 WeakPolarHBondContact CB-SG 3.34Å; C204-C222 WeakPolarHBondContact SG-CB 3.44Å; C204-C222 PolarHBondContact SG-N 3.22Å; C204-C222 CovalentContact SG-SG 2.04Å; C204-C222 PolarHBondContact SG-SG 3.02Å |
| 205 | R | 96.1 | Very high | 95.6 | Very high | 164 Ų | 164 | 43.6 Ų | 43.6 | 62% | 0.619 | 28% | 0.276 | S | S | * | . | trans | -142.5 | 30.2 | -174.2 | -65.5 | -172.9 | 172.3 | -172.7 | -3 | 113.1 | T201 G203 M207 S208 E220 | T201-R205 HydrophobicContact CG2-CB 3.65Å; T201-R205 WeakPolarHBondContact CG2-O 3.37Å; G203-R205 PolarHBondContact O-N 3.11Å; R205-M207 PolarHBondContact O-N 2.77Å; R205-S208 WeakPolarHBondContact O-CA 3.43Å; R205-S208 PolarHBondContact O-N 2.72Å; R205-E220 WeakPolarHBondContact CA-OE2 3.19Å; R205-E220 PolarHBondContact N-OE1 2.8Å | ||
| 206 | L | 97.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -37.1 | 174 | -170.9 | 70.7 | 0 | 0 | 0 | 111.7 | H107 S108 L113 V115 Y178 L182 V195 S208 E220 | H107-L206 CarbonylContact C-O 3.5Å; S108-L206 WeakPolarHBondContact OG-CA 3.38Å; S108-L206 PolarHBondContact OG-O 3.01Å; L113-L206 HydrophobicContact CB-CD1 3.82Å; L113-L206 HydrophobicContact CD1-CD1 3.77Å; L113-L206 HydrophobicContact CG-CD1 4.44Å; V115-L206 HydrophobicContact CG2-CD1 3.88Å; V115-L206 HydrophobicContact CG2-CD2 3.98Å; V115-L206 HydrophobicContact CG2-CG 3.68Å; Y178-L206 HydrophobicContact CE1-CB 4.34Å; Y178-L206 HydrophobicContact CE1-CD2 3.79Å; Y178-L206 HydrophobicContact CE1-CG 4.47Å; Y178-L206 HydrophobicContact CE2-CB 3.85Å; L182-L206 HydrophobicContact CD1-CD2 4.4Å; V195-L206 HydrophobicContact CB-CD2 4.16Å; V195-L206 HydrophobicContact CG1-CD2 3.98Å; V195-L206 HydrophobicContact CG2-CD2 4.23Å; L206-S208 VanDerWaalsContact C-N 3.3Å; L206-E220 WeakPolarHBondContact CB-OE1 3.27Å; L206-E220 PolarHBondContact N-OE1 3.27Å; L206-E220 PolarHBondContact N-OE2 2.92Å |
| 207 | M | 97.9 | Very high | 95.6 | Very high | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.005 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | 5.5 | 174.9 | -66 | -56.3 | -63.4 | 0 | 0 | 113.8 | L78 H107 V115 L182 R205 G209 I210 V213 V218 E220 | L78-M207 HydrophobicContact CD1-CE 3.97Å; L78-M207 HydrophobicContact CD1-SD 4.43Å; L78-M207 HydrophobicContact CD2-CE 4.43Å; H107-M207 VanDerWaalsContact CE1-CE 3.49Å; H107-M207 WeakPolarHBondContact CE1-CE 3.37Å; H107-M207 PolarHBondContact ND1-O 3.29Å; V115-M207 HydrophobicContact CG1-SD 3.75Å; L182-M207 HydrophobicContact CD1-CG 4.31Å; L182-M207 HydrophobicContact CD1-SD 3.93Å; L182-M207 HydrophobicContact CD2-CG 3.8Å; L182-M207 HydrophobicContact CD2-SD 4.49Å; R205-M207 PolarHBondContact O-N 2.77Å; M207-G209 PolarHBondContact O-N 2.03Å; M207-G209 VanDerWaalsContact O-N 3.09Å; M207-I210 WeakPolarHBondContact O-CB 3.04Å; M207-I210 PolarHBondContact O-N 2.96Å; M207-V213 HydrophobicContact CE-CG2 3.9Å; M207-V218 HydrophobicContact CE-CB 4.3Å; M207-V218 HydrophobicContact CE-CG1 4.12Å; M207-V218 HydrophobicContact CE-CG2 4.32Å; M207-V218 HydrophobicContact CG-CG1 3.85Å; M207-V218 HydrophobicContact SD-CG1 4.17Å; M207-E220 PolarHBondContact N-OE2 3.03Å |
| 208 | S | 96.6 | Very high | 95.7 | Very high | 67 Ų | 67 | 46.8 Ų | 46.8 | 47% | 0.469 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.1 | 24.3 | -173.8 | -79.1 | 0 | 0 | 0 | 0 | 114.7 | H107 R205 L206 I210 | H107-S208 WeakPolarHBondContact O-CB 3.29Å; H107-S208 PolarHBondContact O-OG 3.46Å; R205-S208 WeakPolarHBondContact O-CA 3.43Å; R205-S208 PolarHBondContact O-N 2.72Å; L206-S208 VanDerWaalsContact C-N 3.3Å; S208-I210 PolarHBondContact O-N 2.97Å |
| 209 | G | 95.6 | Very high | 95.8 | Very high | 57 Ų | 57 | 53 Ų | 53 | 59% | 0.588 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.8 | 4.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | M207 L211 | M207-G209 PolarHBondContact O-N 2.03Å; M207-G209 VanDerWaalsContact O-N 3.09Å; G209-L211 PolarHBondContact O-N 3.33Å |
| 210 | I | 97.7 | Very high | 96 | Very high | 66 Ų | 66 | 54.4 Ų | 54.4 | 34% | 0.338 | 32% | 0.318 | S | S | . | . | trans | -82.7 | 113 | 174.7 | -59.8 | 170.6 | 0 | 0 | 0 | 107.5 | V105 M207 S208 A212 | V105-I210 HydrophobicContact CG1-CD1 3.59Å; M207-I210 WeakPolarHBondContact O-CB 3.04Å; M207-I210 PolarHBondContact O-N 2.96Å; S208-I210 PolarHBondContact O-N 2.97Å; I210-A212 WeakPolarHBondContact CG2-O 3.01Å | ||
| 211 | L | 97.8 | Very high | 96.2 | Very high | 83 Ų | 83 | 54.5 Ų | 54.5 | 44% | 0.435 | 31% | 0.314 | S | S | . | . | trans | -94.5 | -23.2 | -175.6 | -54.8 | 177.7 | 0 | 0 | 0 | 112.7 | G209 F217 V218 | G209-L211 PolarHBondContact O-N 3.33Å; L211-F217 HydrophobicContact CB-CD2 4.09Å; L211-F217 HydrophobicContact CB-CE2 3.55Å; L211-F217 HydrophobicContact CB-CZ 4.03Å; L211-F217 HydrophobicContact CD1-CE2 4.03Å; L211-F217 HydrophobicContact CD1-CZ 3.94Å; L211-F217 HydrophobicContact CG-CE2 4.41Å; L211-F217 CarbonylContact O-C 3.58Å; L211-F217 VanDerWaalsContact O-CA 3.32Å; L211-F217 WeakPolarHBondContact O-CA 3.28Å; L211-V218 WeakPolarHBondContact CD2-O 3.45Å; L211-V218 PolarHBondContact O-N 3.45Å | ||
| 212 | A | 97.8 | Very high | 96.4 | Very high | 69 Ų | 69 | 54.7 Ų | 54.7 | 57% | 0.57 | 32% | 0.316 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 130.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | I210 M216 | I210-A212 WeakPolarHBondContact CG2-O 3.01Å; A212-M216 WeakPolarHBondContact CA-O 3.03Å |
| 213 | V | 98 | Very high | 96.2 | Very high | 4 Ų | 4 | 52.9 Ų | 52.9 | 2% | 0.024 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 99.3 | 175.5 | 179.9 | 0 | 0 | 0 | 0 | 107.4 | T76 M207 M216 V218 | T76-V213 HydrophobicContact CG2-CG1 3.95Å; M207-V213 HydrophobicContact CE-CG2 3.9Å; V213-M216 HydrophobicContact CB-CB 4.47Å; V213-M216 HydrophobicContact CB-CE 4.27Å; V213-M216 HydrophobicContact CG1-CE 3.85Å; V213-M216 PolarHBondContact N-O 3.38Å; V213-M216 VanDerWaalsContact O-CB 3.29Å; V213-M216 WeakPolarHBondContact O-CB 3.31Å; V213-M216 PolarHBondContact O-N 3.06Å; V213-V218 HydrophobicContact CG2-CG2 4.18Å |
| 214 | G | 97.4 | Very high | 95.4 | Very high | 28 Ų | 28 | 62.1 Ų | 62.1 | 29% | 0.289 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.9 | -128.8 | -165.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | S119 Y121 M216 | S119-G214 VanDerWaalsContact OG-CA 3.27Å; S119-G214 WeakPolarHBondContact OG-CA 3.26Å; Y121-G214 VanDerWaalsContact OH-C 3.28Å; G214-M216 VanDerWaalsContact C-N 3.28Å; G214-M216 PolarHBondContact O-N 3.31Å |
| 215 | P | 97.4 | Very high | 93.6 | Very high | 28 Ų | 28 | 66.7 Ų | 66.7 | 18% | 0.182 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | 3.5 | 177.7 | 38.9 | -38.8 | 0 | 0 | 0 | 113.8 | Q74 T76 M91 I95 Y121 G186 | Q74-P215 HydrophobicContact CG-CG 4.41Å; T76-P215 WeakPolarHBondContact OG1-CD 3.19Å; M91-P215 HydrophobicContact CE-CG 4.41Å; M91-P215 HydrophobicContact SD-CG 3.23Å; M91-P215 WeakPolarHBondContact SD-CG 3.35Å; I95-P215 HydrophobicContact CD1-CB 3.71Å; Y121-P215 WeakPolarHBondContact OH-CD 2.98Å; G186-P215 CarbonylContact C-O 3.31Å |
| 216 | M | 97.8 | Very high | 91 | Very high | 3 Ų | 3 | 65.7 Ų | 65.7 | 2% | 0.015 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 142.6 | 174.2 | -63.4 | 178.4 | -84.5 | 0 | 0 | 111.3 | T76 L78 M91 I184 I189 A212 V213 G214 | T76-M216 HydrophobicContact CG2-CE 3.44Å; T76-M216 VanDerWaalsContact CG2-CE 3.44Å; L78-M216 HydrophobicContact CB-CE 4.02Å; M91-M216 HydrophobicContact CE-CE 4.37Å; M91-M216 HydrophobicContact CE-CG 3.3Å; M91-M216 HydrophobicContact CE-SD 3.81Å; M91-M216 HydrophobicContact SD-CG 4.35Å; I184-M216 HydrophobicContact CG2-CB 4.22Å; I184-M216 HydrophobicContact CG2-CG 4.23Å; I184-M216 HydrophobicContact CG2-SD 3.94Å; I189-M216 HydrophobicContact CD1-SD 3.91Å; A212-M216 WeakPolarHBondContact CA-O 3.03Å; V213-M216 HydrophobicContact CB-CB 4.47Å; V213-M216 HydrophobicContact CB-CE 4.27Å; V213-M216 HydrophobicContact CG1-CE 3.85Å; V213-M216 PolarHBondContact N-O 3.38Å; V213-M216 VanDerWaalsContact O-CB 3.29Å; V213-M216 WeakPolarHBondContact O-CB 3.31Å; V213-M216 PolarHBondContact O-N 3.06Å; G214-M216 VanDerWaalsContact C-N 3.28Å; G214-M216 PolarHBondContact O-N 3.31Å |
| 217 | F | 98.3 | Very high | 88.3 | Confident | 100 Ų | 100 | 73.7 Ų | 73.7 | 44% | 0.439 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 125 | 164.1 | -172 | -98.4 | 0 | 0 | 0 | 109.5 | I184 T185 L211 R219 | I184-F217 WeakPolarHBondContact CA-O 3.3Å; T185-F217 PolarHBondContact N-O 2.03Å; T185-F217 PolarHBondContact O-N 3Å; L211-F217 HydrophobicContact CB-CD2 4.09Å; L211-F217 HydrophobicContact CB-CE2 3.55Å; L211-F217 HydrophobicContact CB-CZ 4.03Å; L211-F217 HydrophobicContact CD1-CE2 4.03Å; L211-F217 HydrophobicContact CD1-CZ 3.94Å; L211-F217 HydrophobicContact CG-CE2 4.41Å; L211-F217 CarbonylContact O-C 3.58Å; L211-F217 VanDerWaalsContact O-CA 3.32Å; L211-F217 WeakPolarHBondContact O-CA 3.28Å; F217-R219 HydrophobicContact CE1-CB 4.38Å |
| 218 | V | 98.5 | Very high | 85.6 | Confident | 0 Ų | 0 | 79.2 Ų | 79.2 | 0% | 0 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 115.6 | -174 | -174 | 0 | 0 | 0 | 0 | 109.4 | L78 L182 I184 M207 L211 V213 | L78-V218 HydrophobicContact CD2-CG2 4.15Å; L182-V218 HydrophobicContact CB-CG1 4.04Å; L182-V218 HydrophobicContact CD1-CG1 4.36Å; L182-V218 HydrophobicContact CD2-CG1 4.2Å; L182-V218 HydrophobicContact CG-CG1 4.43Å; I184-V218 HydrophobicContact CG1-CG1 4.16Å; I184-V218 HydrophobicContact CG1-CG2 4.27Å; I184-V218 HydrophobicContact CG2-CG2 4.43Å; M207-V218 HydrophobicContact CE-CB 4.3Å; M207-V218 HydrophobicContact CE-CG1 4.12Å; M207-V218 HydrophobicContact CE-CG2 4.32Å; M207-V218 HydrophobicContact CG-CG1 3.85Å; M207-V218 HydrophobicContact SD-CG1 4.17Å; L211-V218 WeakPolarHBondContact CD2-O 3.45Å; L211-V218 PolarHBondContact O-N 3.45Å; V213-V218 HydrophobicContact CG2-CG2 4.18Å |
| 219 | R | 98.1 | Very high | 82.8 | Confident | 139 Ų | 139 | 84 Ų | 84 | 53% | 0.525 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 112.8 | 175.6 | 179.1 | 173.7 | 174.8 | -87.9 | -3.8 | 110.4 | E183 F217 V221 | E183-R219 HydrophobicContact CB-CB 4.3Å; E183-R219 PolarHBondContact N-O 2.82Å; E183-R219 PolarHBondContact O-N 2.86Å; F217-R219 HydrophobicContact CE1-CB 4.38Å; R219-V221 HydrophobicContact CG-CG2 4.28Å |
| 220 | E | 97.9 | Very high | 79.9 | Confident | 32 Ų | 32 | 86.5 Ų | 86.5 | 15% | 0.15 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 129.1 | 176.4 | -166.9 | -177.3 | 156.9 | 0 | 0 | 111.6 | Y178 L182 C204 R205 L206 M207 | Y178-E220 WeakPolarHBondContact CE2-OE1 3.31Å; Y178-E220 WeakPolarHBondContact OH-CG 3.39Å; Y178-E220 PolarHBondContact OH-OE1 3.47Å; L182-E220 HydrophobicContact CD2-CB 3.84Å; L182-E220 HydrophobicContact CD2-CG 3.66Å; C204-E220 WeakPolarHBondContact CA-OE1 3.32Å; R205-E220 WeakPolarHBondContact CA-OE2 3.19Å; R205-E220 PolarHBondContact N-OE1 2.8Å; L206-E220 WeakPolarHBondContact CB-OE1 3.27Å; L206-E220 PolarHBondContact N-OE1 3.27Å; L206-E220 PolarHBondContact N-OE2 2.92Å; M207-E220 PolarHBondContact N-OE2 3.03Å |
| 221 | V | 96 | Very high | 77.1 | Confident | 51 Ų | 51 | 94.4 Ų | 94.4 | 31% | 0.309 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 119.5 | -178.6 | -172.6 | 0 | 0 | 0 | 0 | 109.6 | G180 K181 E183 R219 | G180-V221 CarbonylContact C-O 3.5Å; G180-V221 WeakPolarHBondContact CA-O 3.47Å; K181-V221 PolarHBondContact N-O 3.17Å; K181-V221 PolarHBondContact O-N 3.47Å; E183-V221 HydrophobicContact CG-CG2 4.24Å; R219-V221 HydrophobicContact CG-CG2 4.28Å |
| 222 | C | 93.4 | Very high | 74.4 | Confident | 33 Ų | 33 | 100.4 Ų | 100.4 | 22% | 0.223 | 50% | 0.501 | C | S | . | . | trans | -120.6 | 153.9 | 175.8 | -48.4 | 0 | 0 | 0 | 0 | 110.8 | C204 R224 | C204-C222 WeakPolarHBondContact CA-SG 3.49Å; C204-C222 HydrophobicContact CB-CB 3.64Å; C204-C222 WeakPolarHBondContact CB-SG 3.34Å; C204-C222 WeakPolarHBondContact SG-CB 3.44Å; C204-C222 PolarHBondContact SG-N 3.22Å; C204-C222 CovalentContact SG-SG 2.04Å; C204-C222 PolarHBondContact SG-SG 3.02Å; C222-R224 PolarHBondContact O-N 2.84Å | ||
| 223 | P | 87 | Confident | 71.5 | Confident | 90 Ų | 90 | 102.4 Ų | 102.4 | 58% | 0.584 | 51% | 0.506 | S | S | * | . | trans | -54 | 134.8 | 169.9 | -22.6 | 33.3 | 0 | 0 | 0 | 110.3 | Q179 Q225 | Q179-P223 WeakPolarHBondContact O-CD 3.45Å; P223-Q225 PolarHBondContact O-N 3.04Å | ||
| 224 | R | 72.3 | Confident | 69.1 | Low | 235 Ų | 235 | 110.7 Ų | 110.7 | 89% | 0.887 | 55% | 0.545 | S | S | * | . | trans | -64.1 | 112.9 | 170.2 | -70.1 | -173.2 | 178.2 | -176.6 | 0.1 | 107.6 | C222 L226 | C222-R224 PolarHBondContact O-N 2.84Å; R224-L226 VanDerWaalsContact C-N 3.26Å; R224-L226 PolarHBondContact O-N 2.86Å | ||
| 225 | Q | 57.4 | Low | 66.5 | Low | 150 Ų | 150 | 116 Ų | 116 | 70% | 0.701 | 57% | 0.566 | S | S | * | * | trans | -66.5 | 94.7 | 164.6 | -71 | -177.1 | -12.1 | 0 | 0 | 107 | P223 L227 | P223-Q225 PolarHBondContact O-N 3.04Å; Q225-L227 PolarHBondContact O-N 3.46Å; Q225-L227 VanDerWaalsContact O-N 3.11Å | ||
| 226 | L | 40.5 | Very low | 64.2 | Low | 144 Ų | 144 | 119.2 Ų | 119.2 | 75% | 0.754 | 61% | 0.605 | S | S | * | * | trans | -57 | 117 | 159.6 | -69.2 | 169.5 | 0 | 0 | 0 | 105.2 | R224 T228 | R224-L226 VanDerWaalsContact C-N 3.26Å; R224-L226 PolarHBondContact O-N 2.86Å; L226-T228 PolarHBondContact O-N 3.35Å | ||
| 227 | L | 42.1 | Very low | 61.4 | Low | 167 Ų | 167 | 122.9 Ų | 122.9 | 87% | 0.874 | 64% | 0.636 | S | S | * | * | trans | -67.4 | 61.7 | 171.3 | -72.7 | 166.9 | 0 | 0 | 0 | 109.5 | Q225 Q229 | Q225-L227 PolarHBondContact O-N 3.46Å; Q225-L227 VanDerWaalsContact O-N 3.11Å; L227-Q229 VanDerWaalsContact C-N 3.28Å | ||
| 228 | T | 39.6 | Very low | 58.4 | Low | 117 Ų | 117 | 124.4 Ų | 124.4 | 72% | 0.718 | 65% | 0.654 | S | S | * | * | trans | -101.1 | 52 | 163.8 | 16.7 | 0 | 0 | 0 | 0 | 108.1 | L226 P230 | L226-T228 PolarHBondContact O-N 3.35Å; T228-P230 WeakPolarHBondContact O-CD 3.39Å | ||
| 229 | Q | 37.7 | Very low | 55.8 | Low | 169 Ų | 169 | 130.3 Ų | 130.3 | 79% | 0.79 | 69% | 0.693 | S | S | * | * | trans | -83.6 | 108.9 | 148.2 | -84.1 | -96 | -20.7 | 0 | 0 | 104.6 | L227 R231 | L227-Q229 VanDerWaalsContact C-N 3.28Å; Q229-R231 PolarHBondContact O-N 3.33Å | ||
| 230 | P | 35.2 | Very low | 53.1 | Low | 108 Ų | 108 | 130.7 Ų | 130.7 | 70% | 0.701 | 71% | 0.705 | S | S | * | * | trans | -54.9 | 121.3 | 163.2 | 23.5 | -29.4 | 0 | 0 | 0 | 105.6 | T228 K232 | T228-P230 WeakPolarHBondContact O-CD 3.39Å; P230-K232 VanDerWaalsContact C-N 3.34Å; P230-K232 PolarHBondContact O-N 2.76Å | ||
| 231 | R | 38.2 | Very low | 50.4 | Low | 233 Ų | 233 | 134.8 Ų | 134.8 | 88% | 0.879 | 74% | 0.735 | S | S | * | * | trans | -52.3 | 110.7 | 164.9 | -78.6 | -179.5 | 171.2 | 156.1 | -2.6 | 104.9 | Q229 T233 | Q229-R231 PolarHBondContact O-N 3.33Å; R231-T233 PolarHBondContact O-N 3.29Å; R231-T233 PolarHBondContact O-OG1 3.04Å | ||
| 232 | K | 42.7 | Very low | 48 | Very low | 208 Ų | 208 | 139.5 Ų | 139.5 | 90% | 0.904 | 76% | 0.756 | S | S | * | * | trans | -70.2 | 82.4 | 165.6 | -170.9 | 177 | -177.2 | -178.9 | 0 | 104.9 | P230 E234 | P230-K232 VanDerWaalsContact C-N 3.34Å; P230-K232 PolarHBondContact O-N 2.76Å; K232-E234 PolarHBondContact O-N 3.17Å; K232-E234 VanDerWaalsContact O-N 3.14Å | ||
| 233 | T | 36.6 | Very low | 45.7 | Very low | 111 Ų | 111 | 143.1 Ų | 143.1 | 68% | 0.681 | 78% | 0.779 | S | S | * | * | trans | -61 | 115.6 | 165.9 | -7.5 | 0 | 0 | 0 | 0 | 105.3 | R231 N235 | R231-T233 PolarHBondContact O-N 3.29Å; R231-T233 PolarHBondContact O-OG1 3.04Å; T233-N235 PolarHBondContact O-N 3.39Å | ||
| 234 | E | 47.5 | Very low | 44.1 | Very low | 179 Ų | 179 | 145.9 Ų | 145.9 | 84% | 0.836 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -63.4 | 83.5 | 161.1 | -175.4 | 177.2 | -178.7 | 0 | 0 | 106.6 | K232 | K232-E234 PolarHBondContact O-N 3.17Å; K232-E234 VanDerWaalsContact O-N 3.14Å |
| 235 | N | 42.8 | Very low | 42.9 | Very low | 138 Ų | 138 | 146.8 Ų | 146.8 | 74% | 0.738 | 80% | 0.798 | S | S | * | * | S | Bend | trans | 173.4 | 118 | 152.9 | -84.6 | -23.2 | 0 | 0 | 0 | 107 | T233 A237 | T233-N235 PolarHBondContact O-N 3.39Å; N235-A237 VanDerWaalsContact C-N 3.3Å; N235-A237 PolarHBondContact O-N 2.8Å |
| 236 | G | 48.3 | Very low | 42.5 | Very low | 97 Ų | 97 | 143 Ų | 143 | 100% | 1 | 80% | 0.8 | S | S | * | * | trans | -64.4 | 81 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 237 | A | 39.1 | Very low | 42.8 | Very low | 80 Ų | 80 | 144.9 Ų | 144.9 | 66% | 0.661 | 81% | 0.809 | S | S | * | * | trans | -132.2 | 116 | 162 | 0 | 0 | 0 | 0 | 0 | 108.8 | N235 C239 | N235-A237 VanDerWaalsContact C-N 3.3Å; N235-A237 PolarHBondContact O-N 2.8Å; A237-C239 PolarHBondContact O-N 3.14Å | ||
| 238 | T | 34.8 | Very low | 43.3 | Very low | 132 Ų | 132 | 145.5 Ų | 145.5 | 81% | 0.81 | 81% | 0.807 | S | S | * | * | trans | -69.8 | 96.4 | 177.4 | -38.2 | 0 | 0 | 0 | 0 | 109 | L240 | T238-L240 PolarHBondContact O-N 3.5Å; T238-L240 VanDerWaalsContact O-N 3.17Å | ||
| 239 | C | 45.6 | Very low | 43.9 | Very low | 124 Ų | 124 | 147.8 Ų | 147.8 | 84% | 0.838 | 82% | 0.815 | S | S | * | * | trans | -73.7 | 102.4 | 165.6 | -83 | 0 | 0 | 0 | 0 | 108.7 | A237 | A237-C239 PolarHBondContact O-N 3.14Š| ||
| 240 | L | 39.5 | Very low | 44.2 | Very low | 146 Ų | 146 | 147.2 Ų | 147.2 | 76% | 0.764 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 135.5 | 166.9 | -70.5 | 168.4 | 0 | 0 | 0 | 109.1 | T238 I242 | T238-L240 PolarHBondContact O-N 3.5Å; T238-L240 VanDerWaalsContact O-N 3.17Å; L240-I242 PolarHBondContact O-N 2.96Å |
| 241 | P | 41.9 | Very low | 44.6 | Very low | 119 Ų | 119 | 150.7 Ų | 150.7 | 77% | 0.773 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 120.4 | 175 | 28.3 | -30.6 | 0 | 0 | 0 | 109 | P243 | P241-P243 WeakPolarHBondContact O-CD 3.49Š|
| 242 | I | 46.6 | Very low | 45 | Very low | 150 Ų | 150 | 144 Ų | 144 | 77% | 0.769 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 121.6 | 170.6 | -58.3 | 172.9 | 0 | 0 | 0 | 107 | L240 V244 | L240-I242 PolarHBondContact O-N 2.96Å; I242-V244 PolarHBondContact O-N 3.03Å |
| 243 | P | 43.5 | Very low | 45.2 | Very low | 108 Ų | 108 | 141.5 Ų | 141.5 | 70% | 0.701 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 121.2 | 174.2 | 27.5 | -30 | 0 | 0 | 0 | 108.5 | P241 W245 | P241-P243 WeakPolarHBondContact O-CD 3.49Å; P243-W245 PolarHBondContact O-N 2.79Å |
| 244 | V | 53.3 | Low | 45.3 | Very low | 149 Ų | 149 | 144.7 Ų | 144.7 | 90% | 0.903 | 82% | 0.822 | S | S | * | * | S | Bend | trans | -75.7 | 66.9 | 171.1 | -172.8 | 0 | 0 | 0 | 0 | 108.1 | I242 | I242-V244 PolarHBondContact O-N 3.03Š|
| 245 | W | 48.5 | Very low | 45.1 | Very low | 254 Ų | 254 | 143.8 Ų | 143.8 | 96% | 0.962 | 82% | 0.822 | S | S | * | * | trans | -149.4 | 91.9 | 165.4 | -142.7 | 15.3 | 0 | 0 | 0 | 109.2 | P243 | P243-W245 PolarHBondContact O-N 2.79Š| ||
| 246 | G | 49.4 | Very low | 45.1 | Very low | 71 Ų | 71 | 142.4 Ų | 142.4 | 73% | 0.732 | 82% | 0.821 | S | S | * | * | trans | 156.7 | 45.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 247 | L | 46.5 | Very low | 44.7 | Very low | 182 Ų | 182 | 142.6 Ų | 142.6 | 95% | 0.953 | 81% | 0.807 | S | S | * | * | trans | -127 | 59.3 | 160.9 | -147.2 | 81.4 | 0 | 0 | 0 | 109.8 | ||||
| 248 | Q | 51.4 | Low | 45 | Very low | 180 Ų | 180 | 146.3 Ų | 146.3 | 84% | 0.841 | 81% | 0.814 | S | S | * | * | trans | -140.4 | 74 | 167.5 | -158.9 | 154.7 | 13.1 | 0 | 0 | 107.8 | ||||
| 249 | L | 52.5 | Low | 45.2 | Very low | 166 Ų | 166 | 147.7 Ų | 147.7 | 87% | 0.869 | 82% | 0.815 | S | S | * | * | trans | -179.2 | 105.5 | 150 | -119.3 | 90.4 | 0 | 0 | 0 | 107 | ||||
| 250 | L | 44.5 | Very low | 44.7 | Very low | 157 Ų | 157 | 149 Ų | 149 | 82% | 0.822 | 81% | 0.808 | S | S | * | * | trans | 174.7 | 77.9 | 147.4 | -94.5 | 155.5 | 0 | 0 | 0 | 108.4 | ||||
| 251 | L | 42.9 | Very low | 44.5 | Very low | 180 Ų | 180 | 150.9 Ų | 150.9 | 94% | 0.942 | 81% | 0.811 | S | S | * | * | trans | -135.3 | 98.6 | 154.1 | -128.4 | 96.9 | 0 | 0 | 0 | 107.9 | ||||
| 252 | P | 46.5 | Very low | 44.4 | Very low | 94 Ų | 94 | 154.1 Ų | 154.1 | 61% | 0.61 | 84% | 0.836 | S | S | * | * | trans | -110.2 | 127.4 | 158.5 | 19.1 | -0.6 | 0 | 0 | 0 | 110.9 | ||||
| 253 | L | 47.3 | Very low | 44.3 | Very low | 154 Ų | 154 | 154.4 Ų | 154.4 | 81% | 0.806 | 84% | 0.839 | S | S | * | * | trans | 62.8 | 91.9 | 137.6 | -68.5 | 151.9 | 0 | 0 | 0 | 118 | ||||
| 254 | L | 38.3 | Very low | 44.4 | Very low | 178 Ų | 178 | 156.8 Ų | 156.8 | 93% | 0.932 | 85% | 0.847 | S | S | * | * | trans | -140.6 | 88.8 | 136.8 | -72.6 | 179.2 | 0 | 0 | 0 | 109.7 | ||||
| 255 | L | 44 | Very low | 43.9 | Very low | 160 Ų | 160 | 157.2 Ų | 157.2 | 84% | 0.838 | 84% | 0.844 | S | S | * | * | trans | -125.3 | 118.9 | 153.9 | -110.2 | 150.8 | 0 | 0 | 0 | 106.1 | ||||
| 256 | P | 42.3 | Very low | 43.6 | Very low | 109 Ų | 109 | 151.5 Ų | 151.5 | 71% | 0.708 | 84% | 0.837 | S | S | * | * | -134.7 | 156.4 | 123 | 34.3 | -22.8 | 0 | 0 | 0 | 108.8 | |||||
| 257 | S | 39.8 | Very low | 43.2 | Very low | 101 Ų | 101 | 156.6 Ų | 156.6 | 71% | 0.706 | 84% | 0.843 | S | S | * | * | cis | -164.1 | 144.6 | -11.3 | -82.2 | 0 | 0 | 0 | 0 | 102.8 | I259 | S257-I259 PolarHBondContact O-N 2.81Š| ||
| 258 | I | 46 | Very low | 43 | Very low | 159 Ų | 159 | 154.9 Ų | 154.9 | 82% | 0.815 | 84% | 0.836 | S | S | * | * | trans | -58.4 | 124.9 | 172.8 | -64.6 | 157.4 | 0 | 0 | 0 | 109.1 | ||||
| 259 | I | 38.9 | Very low | 42.4 | Very low | 161 Ų | 161 | 153.1 Ų | 153.1 | 83% | 0.826 | 84% | 0.836 | S | S | * | * | trans | -137 | 108.3 | 147.4 | -59.9 | -174.3 | 0 | 0 | 0 | 109.1 | S257 | S257-I259 PolarHBondContact O-N 2.81Š| ||
| 260 | H | 34.7 | Very low | 41.6 | Very low | 151 Ų | 151 | 152.1 Ų | 152.1 | 70% | 0.699 | 83% | 0.833 | S | S | * | * | trans | -57.8 | 139.4 | 161.3 | -157.8 | -84.3 | 0 | 0 | 0 | 110.2 | ||||
| 261 | F | 36.4 | Very low | 41.4 | Very low | 186 Ų | 186 | 151.7 Ų | 151.7 | 82% | 0.816 | 83% | 0.834 | S | S | * | * | trans | -178.3 | 122.8 | 136.9 | -98.9 | -68.8 | 0 | 0 | 0 | 111.5 | ||||
| 262 | S | 39.7 | Very low | 41.3 | Very low | 187 Ų | 187 | 149.1 Ų | 149.1 | 100% | 1.308 | 82% | 0.824 | S | S | * | * | trans | 50.2 | 0 | 154.4 | -53.2 | 0 | 0 | 0 | 0 | 120.7 |
Retrieved 262 of 262 residues in 1554.5 ms
(Link to these results)