| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 35.6 | Very low | 36.5 | Very low | 252 Ų | 252 | 162.3 Ų | 162.3 | 100% | 1.241 | 86% | 0.859 | S | S | * | * | 0 | 113.3 | 0 | -157.5 | 169 | -93.4 | 0 | 0 | 106.5 | |||||
| 2 | G | 33.3 | Very low | 36.1 | Very low | 79 Ų | 79 | 155 Ų | 155 | 81% | 0.814 | 85% | 0.852 | S | S | * | * | trans | 95.6 | 88.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 3 | W | 36.8 | Very low | 36.5 | Very low | 227 Ų | 227 | 154.1 Ų | 154.1 | 86% | 0.86 | 85% | 0.853 | S | S | * | * | trans | -99.7 | 132.3 | 160.3 | -100.1 | 8.7 | 0 | 0 | 0 | 108.4 | F5 | W3-F5 HydrophobicContact CD2-CD2 4.43Å; W3-F5 AromaticContact CD2-CE2 3.77Å; W3-F5 HydrophobicContact CD2-CE2 3.77Å; W3-F5 HydrophobicContact CE3-CD2 4.05Å; W3-F5 AromaticContact CE3-CE2 3.37Å; W3-F5 HydrophobicContact CE3-CE2 3.37Å; W3-F5 HydrophobicContact CE3-CZ 4.37Å; W3-F5 HydrophobicContact CG-CE2 4.42Å; W3-F5 HydrophobicContact CH2-CE2 4.13Å; W3-F5 HydrophobicContact CH2-CZ 4.41Å; W3-F5 AromaticContact CZ3-CE2 3.56Å; W3-F5 HydrophobicContact CZ3-CE2 3.56Å; W3-F5 HydrophobicContact CZ3-CZ 4.14Å | ||
| 4 | L | 38 | Very low | 36.4 | Very low | 181 Ų | 181 | 151.6 Ų | 151.6 | 95% | 0.948 | 85% | 0.852 | S | S | * | * | trans | -116.2 | 112.4 | 167.4 | -105.8 | 119.6 | 0 | 0 | 0 | 108.9 | ||||
| 5 | F | 38.9 | Very low | 37.1 | Very low | 141 Ų | 141 | 154.7 Ų | 154.7 | 62% | 0.618 | 85% | 0.853 | S | S | * | * | trans | -102.1 | 128.7 | 170.2 | -90.4 | -93.2 | 0 | 0 | 0 | 109.1 | W3 | W3-F5 HydrophobicContact CD2-CD2 4.43Å; W3-F5 AromaticContact CD2-CE2 3.77Å; W3-F5 HydrophobicContact CD2-CE2 3.77Å; W3-F5 HydrophobicContact CE3-CD2 4.05Å; W3-F5 AromaticContact CE3-CE2 3.37Å; W3-F5 HydrophobicContact CE3-CE2 3.37Å; W3-F5 HydrophobicContact CE3-CZ 4.37Å; W3-F5 HydrophobicContact CG-CE2 4.42Å; W3-F5 HydrophobicContact CH2-CE2 4.13Å; W3-F5 HydrophobicContact CH2-CZ 4.41Å; W3-F5 AromaticContact CZ3-CE2 3.56Å; W3-F5 HydrophobicContact CZ3-CE2 3.56Å; W3-F5 HydrophobicContact CZ3-CZ 4.14Å | ||
| 6 | L | 34.2 | Very low | 37.4 | Very low | 172 Ų | 172 | 152.4 Ų | 152.4 | 90% | 0.901 | 85% | 0.851 | S | S | * | * | trans | -100.5 | 110.6 | 164.4 | -163.7 | 74.3 | 0 | 0 | 0 | 107.7 | ||||
| 7 | K | 33.7 | Very low | 38 | Very low | 177 Ų | 177 | 147.9 Ų | 147.9 | 77% | 0.77 | 85% | 0.848 | S | S | * | * | trans | -109 | 121.7 | 171.6 | -77 | -172.6 | 176.7 | -176.7 | 0 | 108.8 | ||||
| 8 | V | 39.1 | Very low | 38.2 | Very low | 133 Ų | 133 | 149.7 Ų | 149.7 | 81% | 0.806 | 84% | 0.844 | S | S | * | * | trans | -89.5 | 126 | 165.9 | 175.5 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 9 | L | 36.1 | Very low | 38.4 | Very low | 159 Ų | 159 | 151.3 Ų | 151.3 | 83% | 0.832 | 85% | 0.85 | S | S | * | * | trans | -92.2 | 127.2 | 178.8 | -111.5 | 138.2 | 0 | 0 | 0 | 109.4 | ||||
| 10 | L | 35.9 | Very low | 38.3 | Very low | 171 Ų | 171 | 153.5 Ų | 153.5 | 90% | 0.895 | 85% | 0.845 | S | S | * | * | trans | -121.3 | 108.7 | 161 | -104 | 154.8 | 0 | 0 | 0 | 107.3 | ||||
| 11 | A | 39.4 | Very low | 38.5 | Very low | 93 Ų | 93 | 151.4 Ų | 151.4 | 77% | 0.769 | 84% | 0.839 | S | S | * | * | trans | -89.1 | 123.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 12 | G | 32.4 | Very low | 38.6 | Very low | 75 Ų | 75 | 147.3 Ų | 147.3 | 77% | 0.773 | 82% | 0.822 | S | S | * | * | trans | -151.4 | 97.9 | 168.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 13 | V | 40.6 | Very low | 39 | Very low | 143 Ų | 143 | 148.5 Ų | 148.5 | 87% | 0.867 | 81% | 0.813 | S | S | * | * | trans | -81.9 | 122.4 | 176.7 | 176.7 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 14 | S | 35.6 | Very low | 38.8 | Very low | 120 Ų | 120 | 144.5 Ų | 144.5 | 84% | 0.839 | 81% | 0.808 | S | S | * | * | trans | -146.2 | 135.8 | 152.7 | -155.1 | 0 | 0 | 0 | 0 | 111.1 | S16 | S14-S16 PolarHBondContact O-N 3.5Š| ||
| 15 | F | 46.4 | Very low | 38.8 | Very low | 198 Ų | 198 | 144.1 Ų | 144.1 | 87% | 0.868 | 80% | 0.799 | S | S | * | * | trans | -57.1 | 119.7 | -174.7 | -109 | -114.8 | 0 | 0 | 0 | 112.9 | ||||
| 16 | S | 41.5 | Very low | 38.6 | Very low | 117 Ų | 117 | 142.9 Ų | 142.9 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | trans | -179.8 | 121.7 | 137.1 | -83.1 | 0 | 0 | 0 | 0 | 109.5 | S14 F18 | S14-S16 PolarHBondContact O-N 3.5Å; S16-F18 PolarHBondContact O-N 3.35Å | ||
| 17 | G | 49 | Very low | 39 | Very low | 77 Ų | 77 | 141.5 Ų | 141.5 | 79% | 0.794 | 80% | 0.799 | S | S | * | * | trans | -69.7 | 118.7 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 18 | F | 41.1 | Very low | 39.2 | Very low | 179 Ų | 179 | 138 Ų | 138 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | trans | -142.8 | 109.1 | 148.1 | -100.9 | -87.5 | 0 | 0 | 0 | 106.9 | S16 Y20 | S16-F18 PolarHBondContact O-N 3.35Å; F18-Y20 HydrophobicContact CB-CD2 4.45Å; F18-Y20 HydrophobicContact CB-CE2 4.11Å; F18-Y20 PolarHBondContact O-N 3.14Å; F18-Y20 VanDerWaalsContact O-N 3.14Å | ||
| 19 | L | 41.6 | Very low | 39.1 | Very low | 180 Ų | 180 | 134.3 Ų | 134.3 | 94% | 0.942 | 79% | 0.786 | S | S | * | * | trans | -72.3 | 99 | 171.9 | -84.1 | 156.6 | 0 | 0 | 0 | 108.2 | ||||
| 20 | Y | 37.3 | Very low | 39.2 | Very low | 195 Ų | 195 | 135.6 Ų | 135.6 | 77% | 0.765 | 79% | 0.785 | S | S | * | * | trans | -79.8 | 127.1 | 162.3 | -73.9 | -86.4 | 0 | 0 | 0 | 108.4 | F18 L22 | F18-Y20 HydrophobicContact CB-CD2 4.45Å; F18-Y20 HydrophobicContact CB-CE2 4.11Å; F18-Y20 PolarHBondContact O-N 3.14Å; F18-Y20 VanDerWaalsContact O-N 3.14Å; Y20-L22 PolarHBondContact O-N 2.9Å; Y20-L22 VanDerWaalsContact O-N 3.13Å | ||
| 21 | P | 41 | Very low | 39.3 | Very low | 110 Ų | 110 | 134.1 Ų | 134.1 | 71% | 0.714 | 78% | 0.783 | S | S | * | * | trans | -67.2 | 115.8 | 168.5 | 28.1 | -29 | 0 | 0 | 0 | 107.3 | V23 | P21-V23 PolarHBondContact O-N 3.13Š| ||
| 22 | L | 37.9 | Very low | 39.7 | Very low | 167 Ų | 167 | 140 Ų | 140 | 87% | 0.874 | 79% | 0.785 | S | S | * | * | trans | -65.3 | 92.4 | 163.7 | -83.4 | 160.1 | 0 | 0 | 0 | 106.9 | Y20 D24 | Y20-L22 PolarHBondContact O-N 2.9Å; Y20-L22 VanDerWaalsContact O-N 3.13Å; L22-D24 VanDerWaalsContact C-N 3.35Å; L22-D24 PolarHBondContact O-N 2.84Å; L22-D24 VanDerWaalsContact O-N 3.11Å | ||
| 23 | V | 41.7 | Very low | 41.2 | Very low | 104 Ų | 104 | 138.9 Ų | 138.9 | 63% | 0.63 | 77% | 0.774 | S | S | * | * | trans | -72.2 | 98.2 | 164.6 | -175.4 | 0 | 0 | 0 | 0 | 105.6 | P21 F25 | P21-V23 PolarHBondContact O-N 3.13Å; V23-F25 VanDerWaalsContact C-N 3.25Å; V23-F25 HydrophobicContact CG1-CD2 4.01Å; V23-F25 HydrophobicContact CG1-CE2 4.3Å; V23-F25 PolarHBondContact O-N 2.86Å | ||
| 24 | D | 34.2 | Very low | 43.3 | Very low | 143 Ų | 143 | 139 Ų | 139 | 77% | 0.765 | 76% | 0.759 | S | S | * | * | trans | -62.2 | 93.3 | 165.3 | -92.6 | -29.3 | 0 | 0 | 0 | 107.7 | L22 C26 | L22-D24 VanDerWaalsContact C-N 3.35Å; L22-D24 PolarHBondContact O-N 2.84Å; L22-D24 VanDerWaalsContact O-N 3.11Å; D24-C26 PolarHBondContact O-N 3.11Å | ||
| 25 | F | 38 | Very low | 46.1 | Very low | 173 Ų | 173 | 135.9 Ų | 135.9 | 76% | 0.759 | 73% | 0.73 | S | S | * | * | trans | -67.2 | 84.8 | 162.2 | -107.1 | -88.4 | 0 | 0 | 0 | 107.2 | V23 I27 | V23-F25 VanDerWaalsContact C-N 3.25Å; V23-F25 HydrophobicContact CG1-CD2 4.01Å; V23-F25 HydrophobicContact CG1-CE2 4.3Å; V23-F25 PolarHBondContact O-N 2.86Å; F25-I27 HydrophobicContact CB-CG1 4.49Å; F25-I27 HydrophobicContact CD1-CG1 4.37Å; F25-I27 PolarHBondContact O-N 2.81Å | ||
| 26 | C | 34.9 | Very low | 48.5 | Very low | 115 Ų | 115 | 126.9 Ų | 126.9 | 78% | 0.777 | 69% | 0.691 | S | S | * | * | trans | -62.4 | 88.5 | 154 | -81.2 | 0 | 0 | 0 | 0 | 106.8 | D24 S28 | D24-C26 PolarHBondContact O-N 3.11Å; C26-S28 PolarHBondContact O-N 2.83Å | ||
| 27 | I | 40.7 | Very low | 51.3 | Low | 143 Ų | 143 | 121.3 Ų | 121.3 | 73% | 0.733 | 65% | 0.652 | S | S | * | * | trans | -66.6 | 86.8 | 160.3 | -58.4 | 175.7 | 0 | 0 | 0 | 104.8 | F25 G29 | F25-I27 HydrophobicContact CB-CG1 4.49Å; F25-I27 HydrophobicContact CD1-CG1 4.37Å; F25-I27 PolarHBondContact O-N 2.81Å; I27-G29 PolarHBondContact O-N 2.83Å | ||
| 28 | S | 38.4 | Very low | 53.6 | Low | 102 Ų | 102 | 117.7 Ų | 117.7 | 71% | 0.713 | 62% | 0.615 | S | S | * | * | trans | -61.8 | 90.8 | 154.3 | -174.9 | 0 | 0 | 0 | 0 | 105.1 | C26 K30 | C26-S28 PolarHBondContact O-N 2.83Å; S28-K30 PolarHBondContact O-N 2.97Å | ||
| 29 | G | 38.1 | Very low | 56.4 | Low | 57 Ų | 57 | 109.1 Ų | 109.1 | 59% | 0.588 | 58% | 0.578 | S | S | * | * | trans | -64 | 79.5 | 166.7 | 0 | 0 | 0 | 0 | 0 | 107.4 | I27 T31 | I27-G29 PolarHBondContact O-N 2.83Å; G29-T31 VanDerWaalsContact C-N 3.33Å; G29-T31 PolarHBondContact O-N 2.75Å | ||
| 30 | K | 36.9 | Very low | 59.1 | Low | 186 Ų | 186 | 100.7 Ų | 100.7 | 81% | 0.809 | 53% | 0.533 | S | S | * | . | trans | -51.9 | 113.4 | 149.6 | -81.1 | -174.1 | 177.7 | 179.5 | 0 | 103.5 | S28 R32 | S28-K30 PolarHBondContact O-N 2.97Å; K30-R32 PolarHBondContact O-N 2.93Å | ||
| 31 | T | 37.7 | Very low | 62.1 | Low | 139 Ų | 139 | 91.4 Ų | 91.4 | 85% | 0.853 | 50% | 0.497 | S | S | * | . | trans | -56.3 | 87.5 | 164.4 | 46.1 | 0 | 0 | 0 | 0 | 105.9 | G29 G33 | G29-T31 VanDerWaalsContact C-N 3.33Å; G29-T31 PolarHBondContact O-N 2.75Å; T31-G33 PolarHBondContact O-N 2.67Å | ||
| 32 | R | 49.5 | Very low | 64.8 | Low | 216 Ų | 216 | 86.2 Ų | 86.2 | 82% | 0.815 | 46% | 0.463 | S | S | * | . | trans | -61.6 | 108 | 174.7 | -147.1 | 177.4 | -170.2 | 179.7 | 3.3 | 102.8 | K30 R34 | K30-R32 PolarHBondContact O-N 2.93Å; R32-R34 PolarHBondContact O-N 3.22Å | ||
| 33 | G | 63.3 | Low | 67.7 | Low | 53 Ų | 53 | 78.2 Ų | 78.2 | 55% | 0.546 | 42% | 0.421 | S | S | . | . | P | Polyproline II helix | trans | -48.3 | 134.8 | -177 | 0 | 0 | 0 | 0 | 0 | 108.9 | T31 K35 | T31-G33 PolarHBondContact O-N 2.67Å; G33-K35 PolarHBondContact O-N 3.3Å |
| 34 | R | 84.4 | Confident | 70.4 | Confident | 146 Ų | 146 | 73.3 Ų | 73.3 | 55% | 0.551 | 39% | 0.391 | S | S | * | . | P | Polyproline II helix | trans | -53.5 | 127.7 | -178.9 | -173.4 | 175.9 | 172.3 | 166.7 | -1.3 | 108.3 | R32 | R32-R34 PolarHBondContact O-N 3.22Š|
| 35 | K | 94.8 | Very high | 73.5 | Confident | 53 Ų | 53 | 66.7 Ų | 66.7 | 23% | 0.23 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -60.4 | 140 | 175.4 | -69.4 | -170 | 178.4 | -166.9 | 0 | 109.1 | G33 A128 Y130 P240 N294 A376 | G33-K35 PolarHBondContact O-N 3.3Å; K35-A128 PolarHBondContact NZ-O 2.92Å; K35-Y130 HydrophobicContact CD-CE2 3.91Å; K35-P240 HydrophobicContact CB-CB 4.1Å; K35-P240 HydrophobicContact CB-CG 4.1Å; K35-P240 HydrophobicContact CD-CG 4.48Å; K35-N294 PolarHBondContact O-ND2 2.86Å; K35-A376 WeakPolarHBondContact CE-O 3.02Å; K35-A376 PolarHBondContact NZ-O 2.99Å |
| 36 | P | 97.6 | Very high | 76.3 | Confident | 9 Ų | 9 | 58.5 Ų | 58.5 | 6% | 0.058 | 32% | 0.32 | C | S | . | . | P | Polyproline II helix | trans | -70.8 | 153.9 | 180 | 31 | -35.7 | 0 | 0 | 0 | 111 | F38 Y130 N294 W349 L375 | P36-F38 HydrophobicContact CB-CE1 4.41Å; P36-F38 HydrophobicContact CB-CZ 4.42Å; P36-F38 HydrophobicContact CG-CE1 3.95Å; P36-F38 HydrophobicContact CG-CE2 4.32Å; P36-F38 HydrophobicContact CG-CZ 3.6Å; P36-Y130 WeakPolarHBondContact O-CE1 3.39Å; P36-Y130 PolarHBondContact O-OH 2.96Å; P36-N294 CarbonylContact C-O 3.6Å; P36-N294 WeakPolarHBondContact CA-O 3.17Å; P36-W349 HydrophobicContact CB-CH2 3.51Å; P36-W349 HydrophobicContact CB-CZ2 3.66Å; P36-W349 HydrophobicContact CB-CZ3 4.45Å; P36-W349 HydrophobicContact CG-CH2 3.94Å; P36-L375 WeakPolarHBondContact CD-O 3.26Å; P36-L375 HydrophobicContact CG-CB 4.47Å |
| 37 | N | 98.8 | Very high | 79.3 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 154.1 | 165.4 | -51.2 | -46 | 0 | 0 | 0 | 109.4 | P240 F241 N294 T295 F296 | N37-P240 WeakPolarHBondContact OD1-CA 3.48Å; N37-F241 CarbonylContact C-O 3.52Å; N37-F241 WeakPolarHBondContact CA-O 3.4Å; N37-F241 HydrophobicContact CB-CD1 3.9Å; N37-F241 HydrophobicContact CB-CD2 4.1Å; N37-F241 HydrophobicContact CB-CE1 3.65Å; N37-F241 HydrophobicContact CB-CE2 3.85Å; N37-F241 HydrophobicContact CB-CG 4.12Å; N37-F241 HydrophobicContact CB-CZ 3.61Å; N37-F241 WeakPolarHBondContact ND2-CE1 3.36Å; N37-F241 WeakPolarHBondContact OD1-CD1 3.23Å; N37-F241 PolarHBondContact OD1-N 3.48Å; N37-N294 PolarHBondContact N-O 3.02Å; N37-N294 PolarHBondContact ND2-O 2.72Å; N37-T295 HydrophobicContact CB-CG2 3.86Å; N37-T295 PolarHBondContact ND2-OG1 3.37Å; N37-T295 VanDerWaalsContact ND2-OG1 3.12Å; N37-T295 WeakPolarHBondContact O-CA 3.21Å; N37-F296 PolarHBondContact O-N 3.28Å |
| 38 | F | 98.9 | Very high | 82.1 | Confident | 1 Ų | 1 | 47.2 Ų | 47.2 | 0% | 0.004 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 131.9 | 178.8 | -56.7 | -68.5 | 0 | 0 | 0 | 110.5 | P36 L125 Y130 F241 L242 L243 F296 V372 L375 A376 | P36-F38 HydrophobicContact CB-CE1 4.41Å; P36-F38 HydrophobicContact CB-CZ 4.42Å; P36-F38 HydrophobicContact CG-CE1 3.95Å; P36-F38 HydrophobicContact CG-CE2 4.32Å; P36-F38 HydrophobicContact CG-CZ 3.6Å; F38-L125 HydrophobicContact CD2-CD1 3.92Å; F38-L125 HydrophobicContact CE2-CD1 4.33Å; F38-L125 HydrophobicContact CE2-CD2 4.42Å; F38-Y130 HydrophobicContact CD2-CD1 4.3Å; F38-Y130 AromaticContact CD2-CE1 3.52Å; F38-Y130 HydrophobicContact CD2-CE1 3.52Å; F38-Y130 AromaticContact CE2-CE1 3.52Å; F38-Y130 HydrophobicContact CE2-CE1 3.52Å; F38-Y130 AromaticContact CE2-CZ 3.62Å; F38-Y130 VanDerWaalsContact CE2-OH 3.29Å; F38-Y130 WeakPolarHBondContact CE2-OH 3.35Å; F38-F241 PolarHBondContact N-O 2.87Å; F38-L242 HydrophobicContact CB-CD1 3.92Å; F38-L242 CarbonylContact O-C 3.57Å; F38-L242 WeakPolarHBondContact O-CA 3.01Å; F38-L243 PolarHBondContact O-N 3.13Å; F38-F296 HydrophobicContact CD1-CB 4.08Å; F38-F296 AromaticContact CD1-CD1 3.95Å; F38-F296 HydrophobicContact CD1-CD1 3.95Å; F38-F296 HydrophobicContact CE1-CB 4.45Å; F38-F296 HydrophobicContact CE1-CD1 4.26Å; F38-V372 HydrophobicContact CD1-CG1 4.05Å; F38-V372 HydrophobicContact CD1-CG2 4.33Å; F38-V372 HydrophobicContact CD2-CG1 3.66Å; F38-V372 HydrophobicContact CE1-CG1 4.1Å; F38-V372 HydrophobicContact CE2-CG1 3.71Å; F38-V372 HydrophobicContact CG-CG1 3.81Å; F38-V372 HydrophobicContact CZ-CG1 3.92Å; F38-L375 HydrophobicContact CE1-CB 3.82Å; F38-L375 HydrophobicContact CE1-CD1 4.12Å; F38-L375 HydrophobicContact CZ-CB 3.7Å; F38-A376 HydrophobicContact CE2-CB 3.88Å; F38-A376 HydrophobicContact CZ-CB 4.2Å |
| 39 | V | 98.9 | Very high | 84.9 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 110.2 | 168.2 | 179.7 | 0 | 0 | 0 | 0 | 107.6 | I41 F241 L243 I283 V287 T295 F296 L297 W298 | V39-I41 HydrophobicContact CG1-CD1 4.28Å; V39-I41 HydrophobicContact CG1-CG1 3.98Å; V39-F241 HydrophobicContact CG2-CE2 3.8Å; V39-L243 CarbonylContact C-O 3.56Å; V39-L243 WeakPolarHBondContact CA-O 3.39Å; V39-L243 HydrophobicContact CG1-CD2 4.47Å; V39-L243 HydrophobicContact CG2-CB 4.26Å; V39-I283 HydrophobicContact CG1-CG2 3.96Å; V39-V287 HydrophobicContact CG2-CG2 4.02Å; V39-T295 HydrophobicContact CG2-CG2 3.84Å; V39-F296 PolarHBondContact N-O 2.92Å; V39-L297 HydrophobicContact CB-CD1 4Å; V39-L297 HydrophobicContact CB-CG 3.95Å; V39-L297 HydrophobicContact CG1-CG 4.34Å; V39-L297 HydrophobicContact CG2-CD1 4.24Å; V39-L297 VanDerWaalsContact O-CA 3.31Å; V39-L297 WeakPolarHBondContact O-CA 3.42Å; V39-W298 PolarHBondContact O-N 3Å |
| 40 | I | 98.9 | Very high | 87.8 | Confident | 3 Ų | 3 | 40 Ų | 40 | 2% | 0.015 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 118.2 | 179.9 | -56.9 | 168.3 | 0 | 0 | 0 | 106.9 | L91 L121 L242 L243 Y244 V245 W298 I368 V372 | I40-L91 HydrophobicContact CG2-CD1 4.43Å; I40-L121 HydrophobicContact CD1-CD2 3.72Å; I40-L242 HydrophobicContact CD1-CD1 3.85Å; I40-L242 HydrophobicContact CG1-CD1 4.36Å; I40-L243 PolarHBondContact N-O 3.47Å; I40-Y244 HydrophobicContact CB-CD2 4.23Å; I40-Y244 HydrophobicContact CG2-CD2 4.16Å; I40-Y244 HydrophobicContact CG2-CE2 4.47Å; I40-Y244 CarbonylContact O-C 3.53Å; I40-Y244 WeakPolarHBondContact O-CA 3.1Å; I40-V245 PolarHBondContact O-N 3.18Å; I40-W298 CarbonylContact C-O 3.55Å; I40-W298 WeakPolarHBondContact CA-O 3.49Å; I40-I368 HydrophobicContact CD1-CG2 3.71Å; I40-I368 HydrophobicContact CG1-CG2 4.43Å; I40-I368 HydrophobicContact CG2-CG2 4.44Å; I40-V372 HydrophobicContact CD1-CG2 4.26Å |
| 41 | I | 98.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 122.4 | -179.2 | -52.9 | 177.9 | 0 | 0 | 0 | 108.3 | V39 V245 L247 V280 I283 W298 F299 T300 | V39-I41 HydrophobicContact CG1-CD1 4.28Å; V39-I41 HydrophobicContact CG1-CG1 3.98Å; I41-V245 CarbonylContact C-O 3.17Å; I41-V245 WeakPolarHBondContact CA-O 3.37Å; I41-V245 HydrophobicContact CG1-CB 4.21Å; I41-V245 HydrophobicContact CG1-CG2 4.42Å; I41-V245 HydrophobicContact CG2-CB 4.44Å; I41-L247 HydrophobicContact CG2-CD1 3.91Å; I41-L247 HydrophobicContact CG2-CG 4.24Å; I41-V280 HydrophobicContact CD1-CG1 3.93Å; I41-V280 HydrophobicContact CD1-CG2 4.45Å; I41-V280 HydrophobicContact CG2-CG2 4.08Å; I41-I283 HydrophobicContact CD1-CG2 4.23Å; I41-W298 PolarHBondContact N-O 2.7Å; I41-F299 HydrophobicContact CB-CD2 3.94Å; I41-F299 HydrophobicContact CG2-CD2 3.69Å; I41-F299 HydrophobicContact CG2-CE2 4.08Å; I41-F299 CarbonylContact O-C 3.56Å; I41-F299 WeakPolarHBondContact O-CA 3.16Å; I41-T300 PolarHBondContact O-N 3.35Å |
| 42 | L | 98.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 113.3 | -178.4 | -172.9 | 71.3 | 0 | 0 | 0 | 109.9 | R88 L91 Y244 V245 A246 L247 T300 D302 | L42-R88 HydrophobicContact CD2-CG 3.85Å; L42-L91 HydrophobicContact CD1-CD1 4Å; L42-L91 HydrophobicContact CD2-CD1 4.1Å; L42-Y244 HydrophobicContact CB-CE2 3.99Å; L42-Y244 HydrophobicContact CD2-CE2 4.24Å; L42-Y244 WeakPolarHBondContact CD2-OH 3.45Å; L42-V245 PolarHBondContact N-O 3.29Å; L42-A246 CarbonylContact O-C 3.5Å; L42-L247 PolarHBondContact O-N 3.37Å; L42-T300 CarbonylContact C-O 3.56Å; L42-T300 WeakPolarHBondContact CA-O 3.4Å; L42-T300 HydrophobicContact CD1-CG2 3.64Å; L42-D302 HydrophobicContact CD1-CB 4.01Å; L42-D302 HydrophobicContact CD2-CB 3.88Å; L42-D302 HydrophobicContact CG-CB 3.99Å |
| 43 | A | 98.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 151.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | M46 M276 F299 T300 G301 D302 | A43-M46 HydrophobicContact CB-CB 3.73Å; A43-M46 HydrophobicContact CB-CG 4.47Å; A43-M46 HydrophobicContact CB-SD 3.96Å; A43-M276 HydrophobicContact CB-SD 4.01Å; A43-F299 HydrophobicContact CB-CE2 4.39Å; A43-F299 HydrophobicContact CB-CZ 4.13Å; A43-T300 PolarHBondContact N-O 2.94Å; A43-G301 CarbonylContact O-C 3.24Å; A43-G301 WeakPolarHBondContact O-CA 3.38Å; A43-D302 PolarHBondContact O-N 3.38Å |
| 44 | D | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 7% | 0.071 | C | C | . | . | S | Bend | trans | -104 | 124.6 | -178.5 | -159.2 | 11.6 | 0 | 0 | 0 | 109.5 | M46 C84 R88 K137 H249 M250 H251 D302 | D44-M46 PolarHBondContact O-N 3.33Å; D44-M46 VanDerWaalsContact O-N 3.13Å; D44-C84 PolarHBondContact OD1-SG 2.89Å; D44-C84 VanDerWaalsContact OD1-SG 3.39Å; D44-R88 IonicContact OD1-NH2 3.54Å; D44-R88 PolarHBondContact OD1-NH2 2.87Å; D44-R88 IonicContact OD2-NH2 3.18Å; D44-K137 IonicContact OD1-NZ 2.75Å; D44-K137 PolarHBondContact OD1-NZ 3.36Å; D44-K137 WeakPolarHBondContact OD2-CD 3.45Å; D44-K137 WeakPolarHBondContact OD2-CE 3.26Å; D44-K137 IonicContact OD2-NZ 2.74Å; D44-K137 PolarHBondContact OD2-NZ 3.07Å; D44-H249 WeakPolarHBondContact CB-O 3.45Å; D44-H249 PolarHBondContact N-O 2.93Å; D44-H249 CarbonylContact O-C 3.46Å; D44-M250 CarbonylContact O-C 3.47Å; D44-M250 WeakPolarHBondContact O-CA 3.41Å; D44-M250 PolarHBondContact O-N 2.81Å; D44-H251 HydrophobicContact CB-CB 3.98Å; D44-H251 PolarHBondContact O-N 2.96Å; D44-H251 IonicContact OD1-CD2 3.92Å; D44-H251 VanDerWaalsContact OD2-CB 3.23Å; D44-H251 WeakPolarHBondContact OD2-CB 3.44Å; D44-H251 IonicContact OD2-CD2 2.73Å; D44-H251 IonicContact OD2-CG 2.72Å; D44-D302 WeakPolarHBondContact CA-OD1 3.23Å; D44-D302 VanDerWaalsContact OD1-OD2 3.08Å |
| 45 | D | 98.3 | Very high | 98.1 | Very high | 5 Ų | 5 | 11.3 Ų | 11.3 | 3% | 0.027 | 6% | 0.058 | C | C | . | . | S | Bend | trans | 56.8 | 26.5 | -179.8 | -63.7 | -2.5 | 0 | 0 | 0 | 115.6 | H251 D302 N303 P305 K333 | D45-H251 VanDerWaalsContact CG-CD2 3.44Å; D45-H251 IonicContact OD1-CD2 3.79Å; D45-H251 IonicContact OD2-CD2 3.23Å; D45-H251 PolarHBondContact OD2-CD2 3.29Å; D45-H251 IonicContact OD2-CG 3.79Å; D45-H251 IonicContact OD2-NE2 3.54Å; D45-D302 PolarHBondContact N-OD1 3.12Å; D45-D302 VanDerWaalsContact N-OD1 3.1Å; D45-N303 PolarHBondContact OD1-ND2 3.21Å; D45-P305 WeakPolarHBondContact O-CA 3.13Å; D45-K333 WeakPolarHBondContact OD1-CD 3.12Å; D45-K333 WeakPolarHBondContact OD1-CE 3.35Å; D45-K333 IonicContact OD1-NZ 3.28Å; D45-K333 PolarHBondContact OD1-NZ 3.48Å; D45-K333 IonicContact OD2-NZ 3.77Å; D45-K333 PolarHBondContact OD2-NZ 3.09Å |
| 46 | M | 97.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 7% | 0.074 | C | C | . | . | trans | -85.8 | 119.3 | 175.6 | -172.6 | -178 | -177.6 | 0 | 0 | 110.6 | A43 D44 D50 L51 L64 L273 M276 F299 N303 P344 | A43-M46 HydrophobicContact CB-CB 3.73Å; A43-M46 HydrophobicContact CB-CG 4.47Å; A43-M46 HydrophobicContact CB-SD 3.96Å; D44-M46 PolarHBondContact O-N 3.33Å; D44-M46 VanDerWaalsContact O-N 3.13Å; M46-D50 HydrophobicContact CE-CB 3.75Å; M46-D50 WeakPolarHBondContact CE-O 3.32Å; M46-D50 HydrophobicContact CG-CB 3.78Å; M46-L51 HydrophobicContact CE-CB 4.15Å; M46-L64 HydrophobicContact CE-CD1 4.44Å; M46-L273 HydrophobicContact CE-CD1 4.12Å; M46-M276 HydrophobicContact CE-CE 4.14Å; M46-M276 HydrophobicContact SD-CE 3.8Å; M46-M276 HydrophobicContact SD-SD 4.46Å; M46-F299 HydrophobicContact CE-CE1 4.4Å; M46-F299 HydrophobicContact CE-CZ 4.36Å; M46-F299 HydrophobicContact SD-CE1 3.92Å; M46-F299 HydrophobicContact SD-CZ 3.61Å; M46-N303 VanDerWaalsContact O-O 3.13Å; M46-P344 HydrophobicContact CE-CG 3.93Å; M46-P344 HydrophobicContact CG-CG 3.98Å; M46-P344 HydrophobicContact SD-CG 3.71Å | ||
| 47 | G | 98.1 | Very high | 97.9 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 10% | 0.098 | C | C | . | . | trans | -79.3 | 159.1 | 176 | 0 | 0 | 0 | 0 | 0 | 113.3 | G49 D50 S315 | G47-G49 PolarHBondContact O-N 3.34Å; G47-G49 VanDerWaalsContact O-N 3.17Å; G47-D50 VanDerWaalsContact CA-OD2 3.3Å; G47-D50 WeakPolarHBondContact CA-OD2 3.41Å; G47-D50 PolarHBondContact N-OD2 3.2Å; G47-D50 WeakPolarHBondContact O-CB 3.34Å; G47-D50 PolarHBondContact O-N 2.88Å; G47-S315 CarbonylContact C-O 3.58Å; G47-S315 VanDerWaalsContact CA-O 3.31Å; G47-S315 WeakPolarHBondContact CA-O 3.43Å | ||
| 48 | W | 98.6 | Very high | 97.6 | Very high | 22 Ų | 22 | 18.2 Ų | 18.2 | 8% | 0.083 | 10% | 0.104 | C | C | . | . | G | 310 helix | trans | -55.6 | -34.4 | 178.3 | -172.4 | 97.5 | 0 | 0 | 0 | 113.1 | D50 N54 W55 V75 F319 R342 | W48-D50 VanDerWaalsContact C-N 3.28Å; W48-D50 PolarHBondContact O-N 3.27Å; W48-N54 HydrophobicContact CD2-CB 3.88Å; W48-N54 HydrophobicContact CE3-CB 3.8Å; W48-N54 HydrophobicContact CH2-CB 3.66Å; W48-N54 WeakPolarHBondContact CH2-O 3.41Å; W48-N54 HydrophobicContact CZ2-CB 3.74Å; W48-N54 HydrophobicContact CZ3-CB 3.69Å; W48-N54 WeakPolarHBondContact CZ3-O 3.42Å; W48-N54 PolarHBondContact NE1-ND2 2.98Å; W48-N54 VanDerWaalsContact O-CB 3.29Å; W48-N54 WeakPolarHBondContact O-CB 3.15Å; W48-N54 PolarHBondContact O-ND2 3.31Å; W48-N54 VanDerWaalsContact O-ND2 3.17Å; W48-W55 HydrophobicContact CZ3-CB 4.45Å; W48-W55 HydrophobicContact CZ3-CE3 4.33Å; W48-V75 HydrophobicContact CZ2-CB 4.31Å; W48-V75 HydrophobicContact CZ2-CG1 4.22Å; W48-V75 PolarHBondContact NE1-O 3.09Å; W48-F319 HydrophobicContact CB-CD2 4.11Å; W48-F319 HydrophobicContact CB-CE2 4.24Å; W48-F319 HydrophobicContact CD2-CD2 4.12Å; W48-F319 AromaticContact CD2-CE2 3.48Å; W48-F319 HydrophobicContact CD2-CE2 3.48Å; W48-F319 VanDerWaalsContact CD2-CE2 3.48Å; W48-F319 AromaticContact CE2-CE2 3.73Å; W48-F319 HydrophobicContact CE3-CD2 4.27Å; W48-F319 AromaticContact CE3-CE2 3.81Å; W48-F319 HydrophobicContact CE3-CE2 3.81Å; W48-F319 HydrophobicContact CG-CD2 4.05Å; W48-F319 AromaticContact CG-CE2 3.67Å; W48-F319 HydrophobicContact CG-CE2 3.67Å; W48-F319 HydrophobicContact CZ2-CE2 4.28Å; W48-F319 HydrophobicContact CZ3-CE2 4.34Å; W48-F319 AromaticContact NE1-CE2 3.99Å; W48-R342 HydrophobicContact CG-CG 4.44Å |
| 49 | G | 98.1 | Very high | 97.4 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 14% | 0.136 | C | C | . | . | G | 310 helix | trans | -79.9 | -2.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | G47 L51 W55 T58 S315 | G47-G49 PolarHBondContact O-N 3.34Å; G47-G49 VanDerWaalsContact O-N 3.17Å; G49-L51 VanDerWaalsContact C-N 3.32Å; G49-W55 WeakPolarHBondContact O-CB 3.33Å; G49-T58 PolarHBondContact O-OG1 2.71Å; G49-S315 WeakPolarHBondContact CA-O 3.18Å; G49-S315 PolarHBondContact N-O 3.3Å |
| 50 | D | 98.1 | Very high | 97.2 | Very high | 6 Ų | 6 | 27.6 Ų | 27.6 | 3% | 0.032 | 15% | 0.146 | C | C | . | . | G | 310 helix | trans | -86.4 | -4.5 | 177.8 | -61.8 | -46.3 | 0 | 0 | 0 | 112.9 | M46 G47 W48 T58 T61 Y269 L273 G314 S315 | M46-D50 HydrophobicContact CE-CB 3.75Å; M46-D50 WeakPolarHBondContact CE-O 3.32Å; M46-D50 HydrophobicContact CG-CB 3.78Å; G47-D50 VanDerWaalsContact CA-OD2 3.3Å; G47-D50 WeakPolarHBondContact CA-OD2 3.41Å; G47-D50 PolarHBondContact N-OD2 3.2Å; G47-D50 WeakPolarHBondContact O-CB 3.34Å; G47-D50 PolarHBondContact O-N 2.88Å; W48-D50 VanDerWaalsContact C-N 3.28Å; W48-D50 PolarHBondContact O-N 3.27Å; D50-T58 VanDerWaalsContact O-CG2 3.29Å; D50-T58 WeakPolarHBondContact O-CG2 3.47Å; D50-T61 VanDerWaalsContact O-CG2 3.24Å; D50-T61 WeakPolarHBondContact O-CG2 3.46Å; D50-Y269 HydrophobicContact CB-CE1 4.31Å; D50-Y269 VanDerWaalsContact OD1-CE1 3.3Å; D50-Y269 WeakPolarHBondContact OD1-CE1 3.23Å; D50-Y269 PolarHBondContact OD2-OH 3.34Å; D50-L273 HydrophobicContact CB-CD2 4.33Å; D50-L273 WeakPolarHBondContact O-CD2 3.49Å; D50-G314 WeakPolarHBondContact OD1-CA 3.38Å; D50-G314 WeakPolarHBondContact OD2-CA 3.11Å; D50-S315 WeakPolarHBondContact OD1-CB 3.29Å; D50-S315 PolarHBondContact OD1-N 2.85Å; D50-S315 PolarHBondContact OD2-N 2.78Å |
| 51 | L | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -96.9 | 121.9 | 171.6 | 176.5 | 61.8 | 0 | 0 | 0 | 109.8 | M46 G49 A53 N54 W55 L64 P344 L346 | M46-L51 HydrophobicContact CE-CB 4.15Å; G49-L51 VanDerWaalsContact C-N 3.32Å; L51-A53 VanDerWaalsContact C-N 3.27Å; L51-A53 HydrophobicContact CD1-CB 4.38Å; L51-A53 HydrophobicContact CD2-CB 4.3Å; L51-A53 HydrophobicContact CG-CB 4.05Å; L51-A53 PolarHBondContact O-N 3.16Å; L51-N54 HydrophobicContact CB-CB 4.13Å; L51-N54 HydrophobicContact CG-CB 4.43Å; L51-N54 WeakPolarHBondContact O-CA 3.33Å; L51-N54 WeakPolarHBondContact O-CB 3.29Å; L51-N54 PolarHBondContact O-N 3.29Å; L51-W55 PolarHBondContact O-N 3.04Å; L51-L64 HydrophobicContact CD1-CB 3.59Å; L51-L64 HydrophobicContact CD1-CD1 4.32Å; L51-P344 HydrophobicContact CB-CB 3.83Å; L51-P344 HydrophobicContact CD2-CB 3.86Å; L51-P344 HydrophobicContact CG-CB 4.48Å; L51-L346 HydrophobicContact CD1-CD1 4.41Å; L51-L346 HydrophobicContact CD2-CD1 4.26Å; L51-L346 HydrophobicContact CD2-CD2 3.98Å; L51-L346 HydrophobicContact CD2-CG 4.16Å |
| 52 | G | 97.8 | Very high | 97.1 | Very high | 13 Ų | 13 | 30.6 Ų | 30.6 | 13% | 0.134 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -38.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | N54 W55 T58 T61 D65 | G52-N54 PolarHBondContact O-N 3Å; G52-W55 CarbonylContact O-C 3.58Å; G52-W55 PolarHBondContact O-N 2.94Å; G52-T58 VanDerWaalsContact CA-O 3.29Å; G52-T58 WeakPolarHBondContact CA-O 3.19Å; G52-T61 PolarHBondContact N-OG1 3.01Å; G52-D65 WeakPolarHBondContact CA-OD1 3.3Å; G52-D65 PolarHBondContact N-OD1 3.31Å |
| 53 | A | 97.5 | Very high | 97.1 | Very high | 32 Ų | 32 | 33.1 Ų | 33.1 | 26% | 0.264 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -21 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114 | L51 D65 A68 R73 | L51-A53 VanDerWaalsContact C-N 3.27Å; L51-A53 HydrophobicContact CD1-CB 4.38Å; L51-A53 HydrophobicContact CD2-CB 4.3Å; L51-A53 HydrophobicContact CG-CB 4.05Å; L51-A53 PolarHBondContact O-N 3.16Å; A53-D65 PolarHBondContact N-OD1 2.9Å; A53-A68 HydrophobicContact CB-CB 3.8Å; A53-R73 PolarHBondContact O-NE 2.95Å; A53-R73 PolarHBondContact O-NH1 3.01Å |
| 54 | N | 97.7 | Very high | 97.1 | Very high | 16 Ų | 16 | 33.1 Ų | 33.1 | 9% | 0.086 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | -38.1 | 174.6 | -79.2 | -5.5 | 0 | 0 | 0 | 112.7 | W48 L51 G52 R73 | W48-N54 HydrophobicContact CD2-CB 3.88Å; W48-N54 HydrophobicContact CE3-CB 3.8Å; W48-N54 HydrophobicContact CH2-CB 3.66Å; W48-N54 WeakPolarHBondContact CH2-O 3.41Å; W48-N54 HydrophobicContact CZ2-CB 3.74Å; W48-N54 HydrophobicContact CZ3-CB 3.69Å; W48-N54 WeakPolarHBondContact CZ3-O 3.42Å; W48-N54 PolarHBondContact NE1-ND2 2.98Å; W48-N54 VanDerWaalsContact O-CB 3.29Å; W48-N54 WeakPolarHBondContact O-CB 3.15Å; W48-N54 PolarHBondContact O-ND2 3.31Å; W48-N54 VanDerWaalsContact O-ND2 3.17Å; L51-N54 HydrophobicContact CB-CB 4.13Å; L51-N54 HydrophobicContact CG-CB 4.43Å; L51-N54 WeakPolarHBondContact O-CA 3.33Å; L51-N54 WeakPolarHBondContact O-CB 3.29Å; L51-N54 PolarHBondContact O-N 3.29Å; G52-N54 PolarHBondContact O-N 3Å; N54-R73 VanDerWaalsContact OD1-CD 3.3Å; N54-R73 WeakPolarHBondContact OD1-CD 3.47Å; N54-R73 PolarHBondContact OD1-NH1 3.39Å |
| 55 | W | 96.8 | Very high | 97.1 | Very high | 77 Ų | 77 | 35.4 Ų | 35.4 | 29% | 0.292 | 20% | 0.197 | S | C | . | . | trans | -137.5 | 116.8 | -169.4 | -167.5 | -118.8 | 0 | 0 | 0 | 111.1 | W48 G49 L51 G52 E57 T58 A318 | W48-W55 HydrophobicContact CZ3-CB 4.45Å; W48-W55 HydrophobicContact CZ3-CE3 4.33Å; G49-W55 WeakPolarHBondContact O-CB 3.33Å; L51-W55 PolarHBondContact O-N 3.04Å; G52-W55 CarbonylContact O-C 3.58Å; G52-W55 PolarHBondContact O-N 2.94Å; W55-E57 VanDerWaalsContact CZ2-CD 3.49Å; W55-E57 HydrophobicContact CZ2-CG 4.44Å; W55-E57 WeakPolarHBondContact CZ2-OE2 3.38Å; W55-E57 PolarHBondContact NE1-OE2 3.28Å; W55-E57 VanDerWaalsContact NE1-OE2 3.09Å; W55-E57 PolarHBondContact O-N 3.13Å; W55-E57 VanDerWaalsContact O-N 3.12Å; W55-T58 PolarHBondContact O-N 3.09Å; W55-A318 HydrophobicContact CZ3-CB 4.22Å | ||
| 56 | A | 94.2 | Very high | 97.1 | Very high | 67 Ų | 67 | 39.9 Ų | 39.9 | 55% | 0.554 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -22.4 | -168.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | T58 K59 | A56-T58 PolarHBondContact O-N 3.24Å; A56-K59 WeakPolarHBondContact O-CE 3.21Å; A56-K59 PolarHBondContact O-NZ 3.24Å |
| 57 | E | 93.4 | Very high | 97.2 | Very high | 123 Ų | 123 | 40 Ų | 40 | 58% | 0.575 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | -18.7 | 178.3 | -66.2 | 75 | 176.3 | 0 | 0 | 111.9 | W55 | W55-E57 VanDerWaalsContact CZ2-CD 3.49Å; W55-E57 HydrophobicContact CZ2-CG 4.44Å; W55-E57 WeakPolarHBondContact CZ2-OE2 3.38Å; W55-E57 PolarHBondContact NE1-OE2 3.28Å; W55-E57 VanDerWaalsContact NE1-OE2 3.09Å; W55-E57 PolarHBondContact O-N 3.13Å; W55-E57 VanDerWaalsContact O-N 3.12Å |
| 58 | T | 94.1 | Very high | 97.2 | Very high | 18 Ų | 18 | 40.4 Ų | 40.4 | 11% | 0.11 | 22% | 0.221 | C | C | . | . | trans | -92.6 | 126 | 178.4 | -58.9 | 0 | 0 | 0 | 0 | 110.4 | G49 D50 G52 W55 A56 L273 | G49-T58 PolarHBondContact O-OG1 2.71Å; D50-T58 VanDerWaalsContact O-CG2 3.29Å; D50-T58 WeakPolarHBondContact O-CG2 3.47Å; G52-T58 VanDerWaalsContact CA-O 3.29Å; G52-T58 WeakPolarHBondContact CA-O 3.19Å; W55-T58 PolarHBondContact O-N 3.09Å; A56-T58 PolarHBondContact O-N 3.24Å; T58-L273 HydrophobicContact CG2-CD2 3.93Å | ||
| 59 | K | 93.4 | Very high | 97.2 | Very high | 155 Ų | 155 | 42.1 Ų | 42.1 | 67% | 0.674 | 24% | 0.236 | S | C | * | . | trans | -124.8 | 5.8 | -175.3 | -59.5 | -58.8 | -177.5 | -154.8 | 0 | 113.9 | A56 | A56-K59 WeakPolarHBondContact O-CE 3.21Å; A56-K59 PolarHBondContact O-NZ 3.24Å | ||
| 60 | D | 95.2 | Very high | 97.2 | Very high | 42 Ų | 42 | 44.9 Ų | 44.9 | 23% | 0.225 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -99.9 | 6.4 | -166.5 | -72.1 | -42.4 | 0 | 0 | 0 | 113.6 | G270 L273 R274 | D60-G270 VanDerWaalsContact OD2-CA 3.32Å; D60-G270 WeakPolarHBondContact OD2-CA 3.41Å; D60-L273 HydrophobicContact CB-CB 4.23Å; D60-L273 HydrophobicContact CB-CD2 3.87Å; D60-L273 HydrophobicContact CB-CG 4.09Å; D60-R274 HydrophobicContact CB-CG 3.72Å; D60-R274 WeakPolarHBondContact O-CA 3.45Å; D60-R274 WeakPolarHBondContact O-CG 3.45Å; D60-R274 WeakPolarHBondContact OD1-CD 3.23Å; D60-R274 IonicContact OD1-CZ 3.59Å; D60-R274 IonicContact OD1-NE 3Å; D60-R274 IonicContact OD1-NH1 3.75Å; D60-R274 PolarHBondContact OD1-NH1 3.3Å; D60-R274 IonicContact OD2-NH1 3.32Å |
| 61 | T | 97.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 25% | 0.247 | C | C | . | . | trans | -121.4 | 48.1 | -172.6 | 56.4 | 0 | 0 | 0 | 0 | 113.3 | D50 G52 N63 L64 D65 L273 D277 | D50-T61 VanDerWaalsContact O-CG2 3.24Å; D50-T61 WeakPolarHBondContact O-CG2 3.46Å; G52-T61 PolarHBondContact N-OG1 3.01Å; T61-N63 VanDerWaalsContact C-N 3.32Å; T61-N63 PolarHBondContact O-N 2.85Å; T61-L64 HydrophobicContact CG2-CD1 4.15Å; T61-L64 PolarHBondContact O-N 2.77Å; T61-D65 WeakPolarHBondContact O-CB 3.28Å; T61-D65 PolarHBondContact O-N 2.71Å; T61-D65 PolarHBondContact OG1-OD1 3.38Å; T61-D65 VanDerWaalsContact OG1-OD1 3.08Å; T61-L273 HydrophobicContact CG2-CD1 3.76Å; T61-L273 HydrophobicContact CG2-CD2 3.85Å; T61-L273 HydrophobicContact CG2-CG 3.65Å; T61-D277 VanDerWaalsContact C-CG 3.43Å; T61-D277 VanDerWaalsContact CA-CG 3.45Å; T61-D277 VanDerWaalsContact CA-OD1 3.29Å; T61-D277 WeakPolarHBondContact CA-OD1 3.49Å | ||
| 62 | A | 98.1 | Very high | 97.2 | Very high | 67 Ų | 67 | 44.7 Ų | 44.7 | 55% | 0.554 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -60.2 | -36.7 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114 | K66 D277 | A62-K66 WeakPolarHBondContact O-CB 3.14Å; A62-K66 PolarHBondContact O-N 3.4Å; A62-D277 PolarHBondContact N-OD2 3.19Å; A62-D277 VanDerWaalsContact N-OD2 3.12Å |
| 63 | N | 98.8 | Very high | 97.2 | Very high | 52 Ų | 52 | 46.2 Ų | 46.2 | 28% | 0.278 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -74.1 | -40.7 | 179.6 | -64.9 | -76.9 | 0 | 0 | 0 | 111.9 | T61 K66 M67 D277 | T61-N63 VanDerWaalsContact C-N 3.32Å; T61-N63 PolarHBondContact O-N 2.85Å; N63-K66 WeakPolarHBondContact O-CB 3.44Å; N63-K66 PolarHBondContact O-N 2.94Å; N63-M67 PolarHBondContact O-N 3.32Å; N63-D277 WeakPolarHBondContact CB-OD1 3.42Å; N63-D277 WeakPolarHBondContact CB-OD2 3.27Å; N63-D277 PolarHBondContact N-OD1 2.96Å; N63-D277 VanDerWaalsContact N-OD1 3.09Å; N63-D277 PolarHBondContact N-OD2 2.76Å; N63-D277 PolarHBondContact ND2-O 3.44Å; N63-D277 PolarHBondContact ND2-OD2 3.12Å |
| 64 | L | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -66.6 | -39.6 | 173.4 | -70.5 | 167.7 | 0 | 0 | 0 | 111.6 | M46 L51 T61 K66 M67 A68 M276 D277 V280 F299 L346 | M46-L64 HydrophobicContact CE-CD1 4.44Å; L51-L64 HydrophobicContact CD1-CB 3.59Å; L51-L64 HydrophobicContact CD1-CD1 4.32Å; T61-L64 HydrophobicContact CG2-CD1 4.15Å; T61-L64 PolarHBondContact O-N 2.77Å; L64-K66 VanDerWaalsContact C-N 3.29Å; L64-K66 PolarHBondContact O-N 3.47Å; L64-M67 CarbonylContact O-C 3.58Å; L64-M67 WeakPolarHBondContact O-CB 3.42Å; L64-M67 PolarHBondContact O-N 2.91Å; L64-M67 VanDerWaalsContact O-N 3.16Å; L64-A68 WeakPolarHBondContact O-CB 3.31Å; L64-A68 PolarHBondContact O-N 2.78Å; L64-M276 HydrophobicContact CD1-CE 3.9Å; L64-D277 WeakPolarHBondContact CG-OD1 3.41Å; L64-D277 PolarHBondContact N-OD1 3.23Å; L64-V280 HydrophobicContact CD2-CG1 3.81Å; L64-V280 HydrophobicContact CG-CG1 4.46Å; L64-F299 HydrophobicContact CD1-CE1 3.98Å; L64-F299 HydrophobicContact CD1-CE2 4.14Å; L64-F299 HydrophobicContact CD1-CZ 3.68Å; L64-F299 HydrophobicContact CD2-CB 4.36Å; L64-F299 HydrophobicContact CD2-CD1 3.74Å; L64-F299 HydrophobicContact CD2-CD2 3.64Å; L64-F299 HydrophobicContact CD2-CE1 3.87Å; L64-F299 HydrophobicContact CD2-CE2 3.77Å; L64-F299 HydrophobicContact CD2-CG 3.63Å; L64-F299 HydrophobicContact CD2-CZ 3.88Å; L64-F299 HydrophobicContact CG-CZ 4.47Å; L64-L346 HydrophobicContact CB-CD1 4.11Å; L64-L346 HydrophobicContact CD2-CD1 3.99Å; L64-L346 VanDerWaalsContact O-CD1 3.29Å; L64-L346 WeakPolarHBondContact O-CD1 3.33Å |
| 65 | D | 98.8 | Very high | 97.2 | Very high | 48 Ų | 48 | 45.4 Ų | 45.4 | 26% | 0.257 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -62.7 | -39.8 | 175.2 | -68.1 | -7.7 | 0 | 0 | 0 | 110.8 | G52 A53 T61 A68 S69 | G52-D65 WeakPolarHBondContact CA-OD1 3.3Å; G52-D65 PolarHBondContact N-OD1 3.31Å; A53-D65 PolarHBondContact N-OD1 2.9Å; T61-D65 WeakPolarHBondContact O-CB 3.28Å; T61-D65 PolarHBondContact O-N 2.71Å; T61-D65 PolarHBondContact OG1-OD1 3.38Å; T61-D65 VanDerWaalsContact OG1-OD1 3.08Å; D65-A68 WeakPolarHBondContact O-CB 3.22Å; D65-A68 PolarHBondContact O-N 3.24Å; D65-S69 PolarHBondContact O-N 3.38Å |
| 66 | K | 98.6 | Very high | 97.3 | Very high | 100 Ų | 100 | 42.8 Ų | 42.8 | 44% | 0.435 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -62.4 | -47.5 | 171 | -177.2 | 179.3 | 173.6 | -172.1 | 0 | 111.5 | A62 N63 L64 A68 S69 E70 | A62-K66 WeakPolarHBondContact O-CB 3.14Å; A62-K66 PolarHBondContact O-N 3.4Å; N63-K66 WeakPolarHBondContact O-CB 3.44Å; N63-K66 PolarHBondContact O-N 2.94Å; L64-K66 VanDerWaalsContact C-N 3.29Å; L64-K66 PolarHBondContact O-N 3.47Å; K66-A68 VanDerWaalsContact C-N 3.26Å; K66-A68 PolarHBondContact O-N 3.41Å; K66-S69 PolarHBondContact O-N 3.24Å; K66-S69 VanDerWaalsContact O-N 3.09Å; K66-S69 PolarHBondContact O-OG 3.49Å; K66-E70 WeakPolarHBondContact CE-OE1 3.48Å; K66-E70 HydrophobicContact CG-CG 4.35Å; K66-E70 IonicContact NZ-OE1 3.16Å; K66-E70 WeakPolarHBondContact O-CB 3.48Å; K66-E70 WeakPolarHBondContact O-CG 3.23Å; K66-E70 PolarHBondContact O-N 2.99Å |
| 67 | M | 98.6 | Very high | 97.5 | Very high | 2 Ų | 2 | 39.6 Ų | 39.6 | 1% | 0.01 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -57.9 | -38.5 | 175.7 | -176.9 | -177.8 | 173.4 | 0 | 0 | 112 | N63 L64 E70 G71 K284 L297 F299 L346 Y348 | N63-M67 PolarHBondContact O-N 3.32Å; L64-M67 CarbonylContact O-C 3.58Å; L64-M67 WeakPolarHBondContact O-CB 3.42Å; L64-M67 PolarHBondContact O-N 2.91Å; L64-M67 VanDerWaalsContact O-N 3.16Å; M67-E70 PolarHBondContact O-N 2.65Å; M67-G71 PolarHBondContact O-N 2.93Å; M67-K284 HydrophobicContact CB-CD 4.14Å; M67-K284 HydrophobicContact CG-CD 4.22Å; M67-L297 HydrophobicContact CE-CB 3.7Å; M67-F299 HydrophobicContact CE-CB 4.25Å; M67-F299 HydrophobicContact SD-CB 4.4Å; M67-L346 HydrophobicContact CB-CD1 4.3Å; M67-L346 HydrophobicContact CE-CB 4.14Å; M67-L346 HydrophobicContact CG-CD1 4.37Å; M67-L346 HydrophobicContact SD-CB 4.33Å; M67-L346 HydrophobicContact SD-CD1 4.31Å; M67-Y348 HydrophobicContact CG-CG 4.39Å |
| 68 | A | 98.5 | Very high | 97.8 | Very high | 9 Ų | 9 | 33.8 Ų | 33.8 | 7% | 0.074 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.6 | -43.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | A53 L64 D65 K66 E70 G71 R73 L346 | A53-A68 HydrophobicContact CB-CB 3.8Å; L64-A68 WeakPolarHBondContact O-CB 3.31Å; L64-A68 PolarHBondContact O-N 2.78Å; D65-A68 WeakPolarHBondContact O-CB 3.22Å; D65-A68 PolarHBondContact O-N 3.24Å; K66-A68 VanDerWaalsContact C-N 3.26Å; K66-A68 PolarHBondContact O-N 3.41Å; A68-E70 VanDerWaalsContact C-N 3.29Å; A68-E70 PolarHBondContact O-N 2.81Å; A68-G71 CarbonylContact O-C 3.32Å; A68-G71 PolarHBondContact O-N 3.41Å; A68-R73 HydrophobicContact CB-CB 4.43Å; A68-L346 HydrophobicContact CB-CD1 4.19Å; A68-L346 HydrophobicContact CB-CD2 3.53Å |
| 69 | S | 98.3 | Very high | 98 | Very high | 58 Ų | 58 | 33 Ų | 33 | 41% | 0.406 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -68.6 | -27.3 | 176.6 | 76.2 | 0 | 0 | 0 | 0 | 113.3 | D65 K66 V355 N356 | D65-S69 PolarHBondContact O-N 3.38Å; K66-S69 PolarHBondContact O-N 3.24Å; K66-S69 VanDerWaalsContact O-N 3.09Å; K66-S69 PolarHBondContact O-OG 3.49Å; S69-V355 VanDerWaalsContact O-CG1 3.23Å; S69-V355 WeakPolarHBondContact O-CG1 3.32Å; S69-N356 WeakPolarHBondContact O-CA 3.27Å; S69-N356 WeakPolarHBondContact O-CB 3.38Å; S69-N356 PolarHBondContact O-N 3.17Å |
| 70 | E | 98.3 | Very high | 98.2 | Very high | 57 Ų | 57 | 25.7 Ų | 25.7 | 27% | 0.266 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | -2.3 | 179.7 | -68.6 | 179 | 170 | 0 | 0 | 113.2 | K66 M67 A68 K284 Y348 | K66-E70 WeakPolarHBondContact CE-OE1 3.48Å; K66-E70 HydrophobicContact CG-CG 4.35Å; K66-E70 IonicContact NZ-OE1 3.16Å; K66-E70 WeakPolarHBondContact O-CB 3.48Å; K66-E70 WeakPolarHBondContact O-CG 3.23Å; K66-E70 PolarHBondContact O-N 2.99Å; M67-E70 PolarHBondContact O-N 2.65Å; A68-E70 VanDerWaalsContact C-N 3.29Å; A68-E70 PolarHBondContact O-N 2.81Å; E70-K284 VanDerWaalsContact OE2-CE 3.27Å; E70-K284 WeakPolarHBondContact OE2-CE 3.34Å; E70-K284 IonicContact OE2-NZ 3.98Å; E70-K284 PolarHBondContact OE2-NZ 3.47Å; E70-Y348 HydrophobicContact CB-CD2 4.05Å; E70-Y348 HydrophobicContact CB-CE2 3.84Å |
| 71 | G | 98.3 | Very high | 98.3 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -150.4 | -142.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | M67 A68 A347 P354 V355 N356 V357 | M67-G71 PolarHBondContact O-N 2.93Å; A68-G71 CarbonylContact O-C 3.32Å; A68-G71 PolarHBondContact O-N 3.41Å; G71-A347 WeakPolarHBondContact CA-O 3.19Å; G71-P354 CarbonylContact C-O 3.51Å; G71-P354 VanDerWaalsContact O-O 3.08Å; G71-V355 CarbonylContact O-C 3.52Å; G71-N356 PolarHBondContact O-N 3.38Å; G71-V357 PolarHBondContact O-N 2.75Å; G71-V357 VanDerWaalsContact O-N 3.17Å |
| 72 | M | 98.5 | Very high | 98.4 | Very high | 3 Ų | 3 | 24 Ų | 24 | 2% | 0.015 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 134.8 | -179.2 | -175.9 | 178.3 | -62 | 0 | 0 | 110.9 | F74 L346 A347 V353 P354 V357 V394 | M72-F74 HydrophobicContact CG-CE1 4.2Å; M72-F74 HydrophobicContact CG-CE2 4.4Å; M72-F74 HydrophobicContact CG-CZ 4.01Å; M72-F74 HydrophobicContact SD-CD1 4.47Å; M72-F74 HydrophobicContact SD-CE1 3.54Å; M72-F74 VanDerWaalsContact SD-CE1 3.54Å; M72-F74 HydrophobicContact SD-CE2 4.46Å; M72-F74 HydrophobicContact SD-CZ 3.53Å; M72-F74 VanDerWaalsContact SD-CZ 3.53Å; M72-L346 CarbonylContact O-C 3.36Å; M72-L346 WeakPolarHBondContact O-CA 3.46Å; M72-A347 HydrophobicContact CB-CB 4.39Å; M72-A347 PolarHBondContact N-O 2.98Å; M72-A347 PolarHBondContact O-N 3.1Å; M72-V353 HydrophobicContact CB-CG1 3.62Å; M72-P354 HydrophobicContact CE-CB 4.48Å; M72-P354 HydrophobicContact CE-CG 4.13Å; M72-V357 CarbonylContact C-O 3.59Å; M72-V357 VanDerWaalsContact CA-O 3.29Å; M72-V357 WeakPolarHBondContact CA-O 3.47Å; M72-V357 HydrophobicContact CE-CB 4.34Å; M72-V357 HydrophobicContact CE-CG1 3.97Å; M72-V357 HydrophobicContact CG-CB 4.39Å; M72-V357 HydrophobicContact CG-CG1 4.27Å; M72-V394 WeakPolarHBondContact CE-O 3.38Å |
| 73 | R | 98.4 | Very high | 98.3 | Very high | 44 Ų | 44 | 21.1 Ų | 21.1 | 17% | 0.166 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 134.2 | 173.3 | 179.2 | 179 | 71 | 105.7 | -3.2 | 110.2 | A53 N54 A68 V75 L346 V357 T358 S359 | A53-R73 PolarHBondContact O-NE 2.95Å; A53-R73 PolarHBondContact O-NH1 3.01Å; N54-R73 VanDerWaalsContact OD1-CD 3.3Å; N54-R73 WeakPolarHBondContact OD1-CD 3.47Å; N54-R73 PolarHBondContact OD1-NH1 3.39Å; A68-R73 HydrophobicContact CB-CB 4.43Å; R73-V75 VanDerWaalsContact NH1-CG1 3.26Å; R73-L346 HydrophobicContact CB-CD2 3.7Å; R73-L346 HydrophobicContact CG-CD2 3.72Å; R73-V357 PolarHBondContact N-O 3.38Å; R73-T358 PolarHBondContact NH2-OG1 2.91Å; R73-T358 CarbonylContact O-C 3.58Å; R73-T358 WeakPolarHBondContact O-CA 3.24Å; R73-S359 PolarHBondContact O-N 3.35Å |
| 74 | F | 98.5 | Very high | 98.3 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 128.1 | 175.2 | -56.4 | -84 | 0 | 0 | 0 | 110.2 | M72 F77 A345 A347 L363 V394 L395 | M72-F74 HydrophobicContact CG-CE1 4.2Å; M72-F74 HydrophobicContact CG-CE2 4.4Å; M72-F74 HydrophobicContact CG-CZ 4.01Å; M72-F74 HydrophobicContact SD-CD1 4.47Å; M72-F74 HydrophobicContact SD-CE1 3.54Å; M72-F74 VanDerWaalsContact SD-CE1 3.54Å; M72-F74 HydrophobicContact SD-CE2 4.46Å; M72-F74 HydrophobicContact SD-CZ 3.53Å; M72-F74 VanDerWaalsContact SD-CZ 3.53Å; F74-F77 HydrophobicContact CB-CB 3.93Å; F74-F77 HydrophobicContact CB-CD2 4.38Å; F74-F77 HydrophobicContact CG-CD2 4.47Å; F74-A345 HydrophobicContact CB-CB 4.19Å; F74-A345 HydrophobicContact CD2-CB 4.11Å; F74-A345 PolarHBondContact N-O 2.87Å; F74-A347 HydrophobicContact CE2-CB 3.71Å; F74-A347 HydrophobicContact CZ-CB 4.2Å; F74-L363 HydrophobicContact CD1-CD1 3.53Å; F74-L363 HydrophobicContact CE1-CD1 3.42Å; F74-L363 VanDerWaalsContact CE1-CD1 3.42Å; F74-L363 HydrophobicContact CG-CD1 4.3Å; F74-L363 HydrophobicContact CZ-CD1 4.11Å; F74-V394 HydrophobicContact CE1-CG1 4.06Å; F74-L395 HydrophobicContact CE2-CD2 4.3Å; F74-L395 HydrophobicContact CZ-CD2 3.82Å |
| 75 | V | 97.3 | Very high | 98.3 | Very high | 31 Ų | 31 | 18.6 Ų | 18.6 | 19% | 0.188 | 10% | 0.098 | C | C | . | . | S | Bend | trans | -97.3 | -16 | 178.2 | -66.3 | 0 | 0 | 0 | 0 | 113.4 | W48 R73 T358 S359 T360 | W48-V75 HydrophobicContact CZ2-CB 4.31Å; W48-V75 HydrophobicContact CZ2-CG1 4.22Å; W48-V75 PolarHBondContact NE1-O 3.09Å; R73-V75 VanDerWaalsContact NH1-CG1 3.26Å; V75-T358 HydrophobicContact CG1-CG2 3.68Å; V75-T358 HydrophobicContact CG2-CG2 4.24Å; V75-S359 WeakPolarHBondContact CG2-O 3.5Å; V75-S359 PolarHBondContact N-O 2.61Å; V75-S359 VanDerWaalsContact N-O 3.12Å; V75-T360 HydrophobicContact CG2-CG2 3.88Å |
| 76 | D | 98 | Very high | 98.3 | Very high | 23 Ų | 23 | 16.6 Ų | 16.6 | 12% | 0.123 | 9% | 0.087 | C | C | . | . | S | Bend | trans | -120.9 | 58.4 | 179.9 | -158.1 | -12.5 | 0 | 0 | 0 | 110.5 | H78 R342 A361 L362 L363 R424 | D76-H78 IonicContact OD1-CD2 2.71Å; D76-H78 PolarHBondContact OD1-CD2 3.46Å; D76-H78 IonicContact OD1-CE1 3.68Å; D76-H78 IonicContact OD1-NE2 3.44Å; D76-H78 PolarHBondContact OD1-NE2 3.48Å; D76-R342 IonicContact OD1-CZ 3.39Å; D76-R342 IonicContact OD1-NE 2.91Å; D76-R342 IonicContact OD1-NH2 3.9Å; D76-R342 PolarHBondContact OD1-NH2 3.3Å; D76-R342 IonicContact OD2-NH2 3.19Å; D76-R342 PolarHBondContact OD2-NH2 2.99Å; D76-A361 VanDerWaalsContact O-O 3.09Å; D76-L362 WeakPolarHBondContact OD1-CD1 3.4Å; D76-L363 PolarHBondContact O-N 2.91Å; D76-R424 IonicContact OD2-NH2 2.73Å |
| 77 | F | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 133 | -178.4 | -166.7 | -84.1 | 0 | 0 | 0 | 111.5 | F74 W298 T300 R342 V343 A345 L363 S364 V365 | F74-F77 HydrophobicContact CB-CB 3.93Å; F74-F77 HydrophobicContact CB-CD2 4.38Å; F74-F77 HydrophobicContact CG-CD2 4.47Å; F77-W298 AromaticContact CE2-CZ2 3.81Å; F77-W298 HydrophobicContact CE2-CZ2 3.81Å; F77-W298 HydrophobicContact CZ-CZ2 4.3Å; F77-T300 HydrophobicContact CE1-CG2 4.31Å; F77-T300 WeakPolarHBondContact CE1-OG1 3.49Å; F77-R342 WeakPolarHBondContact O-CA 3.46Å; F77-V343 HydrophobicContact CD1-CG2 3.82Å; F77-V343 HydrophobicContact CE1-CG2 4.35Å; F77-V343 PolarHBondContact O-N 3.07Å; F77-A345 HydrophobicContact CB-CB 3.64Å; F77-A345 HydrophobicContact CD1-CB 3.52Å; F77-A345 HydrophobicContact CD2-CB 3.76Å; F77-A345 HydrophobicContact CE1-CB 4.06Å; F77-A345 HydrophobicContact CE2-CB 4.32Å; F77-A345 HydrophobicContact CG-CB 3.34Å; F77-A345 HydrophobicContact CZ-CB 4.45Å; F77-L363 WeakPolarHBondContact CA-O 3.09Å; F77-L363 HydrophobicContact CD2-CB 3.61Å; F77-L363 HydrophobicContact CD2-CD1 4.41Å; F77-L363 HydrophobicContact CE2-CB 3.92Å; F77-S364 VanDerWaalsContact CZ-C 3.44Å; F77-V365 HydrophobicContact CE1-CB 4.45Å; F77-V365 HydrophobicContact CE1-CG2 3.61Å; F77-V365 HydrophobicContact CZ-CG2 4.2Å |
| 78 | H | 98.8 | Very high | 98.3 | Very high | 1 Ų | 1 | 11.7 Ų | 11.7 | 1% | 0.005 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 130.5 | -167.5 | -68.2 | -94.1 | 0 | 0 | 0 | 113.6 | D76 E338 H341 R342 L363 S364 V365 L406 H408 | D76-H78 IonicContact OD1-CD2 2.71Å; D76-H78 PolarHBondContact OD1-CD2 3.46Å; D76-H78 IonicContact OD1-CE1 3.68Å; D76-H78 IonicContact OD1-NE2 3.44Å; D76-H78 PolarHBondContact OD1-NE2 3.48Å; H78-E338 IonicContact CE1-OE1 3.65Å; H78-E338 IonicContact CE1-OE2 2.61Å; H78-H341 CarbonylContact C-O 3.53Å; H78-H341 WeakPolarHBondContact CA-O 3.4Å; H78-H341 AromaticContact CE1-CE1 3.59Å; H78-H341 AromaticContact CE1-ND1 3.66Å; H78-H341 AromaticContact CG-ND1 3.82Å; H78-H341 AromaticContact ND1-CE1 3.16Å; H78-H341 PolarHBondContact ND1-CE1 2.99Å; H78-H341 AromaticContact ND1-ND1 2.8Å; H78-H341 PolarHBondContact ND1-ND1 3.48Å; H78-R342 PolarHBondContact CE1-NE 3.32Å; H78-R342 VanDerWaalsContact CE1-NE 3.32Å; H78-R342 PolarHBondContact NE2-NE 2.81Å; H78-R342 PolarHBondContact NE2-NH2 3.34Å; H78-L363 PolarHBondContact N-O 2.79Å; H78-S364 CarbonylContact O-C 3.49Å; H78-S364 WeakPolarHBondContact O-CA 3.38Å; H78-S364 WeakPolarHBondContact O-CB 3.49Å; H78-S364 PolarHBondContact O-OG 3.48Å; H78-V365 PolarHBondContact O-N 2.93Å; H78-L406 HydrophobicContact CB-CD1 4Å; H78-H408 AromaticContact ND1-CE1 3.79Å |
| 79 | A | 98.7 | Very high | 98.3 | Very high | 1 Ų | 1 | 11.3 Ų | 11.3 | 1% | 0.008 | 6% | 0.062 | C | C | . | . | trans | -57.8 | 148.6 | 160 | 0 | 0 | 0 | 0 | 0 | 110.9 | A81 D302 H341 V343 | A79-A81 VanDerWaalsContact C-N 3.28Å; A79-A81 WeakPolarHBondContact CB-O 3.34Å; A79-A81 PolarHBondContact O-N 2.84Å; A79-D302 WeakPolarHBondContact CB-O 3.41Å; A79-H341 HydrophobicContact CB-CB 4.3Å; A79-H341 WeakPolarHBondContact CB-O 3.11Å; A79-H341 PolarHBondContact N-O 3.37Å; A79-V343 HydrophobicContact CB-CG1 4.18Å; A79-V343 HydrophobicContact CB-CG2 4.48Å | ||
| 80 | A | 97.5 | Very high | 98.4 | Very high | 2 Ų | 2 | 8.6 Ų | 8.6 | 2% | 0.017 | 4% | 0.043 | C | C | . | . | S | Bend | trans | -75.4 | -20.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | S90 L366 P409 | A80-S90 WeakPolarHBondContact CB-OG 3.44Å; A80-L366 HydrophobicContact CB-CD1 4.31Å; A80-L366 HydrophobicContact CB-CD2 4.05Å; A80-L366 HydrophobicContact CB-CG 3.84Å; A80-P409 WeakPolarHBondContact O-CD 3.34Å; A80-P409 WeakPolarHBondContact O-CG 3.36Å |
| 81 | A | 98.1 | Very high | 98.4 | Very high | 5 Ų | 5 | 5.9 Ų | 5.9 | 4% | 0.041 | 3% | 0.031 | C | C | . | . | S | Bend | trans | -151.9 | 161.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | A79 T83 P86 | A79-A81 VanDerWaalsContact C-N 3.28Å; A79-A81 WeakPolarHBondContact CB-O 3.34Å; A79-A81 PolarHBondContact O-N 2.84Å; A81-T83 VanDerWaalsContact C-N 3.26Å; A81-T83 PolarHBondContact O-N 3.5Å; A81-P86 HydrophobicContact CB-CB 3.64Å |
| 82 | S | 98.1 | Very high | 98.4 | Very high | 2 Ų | 2 | 6 Ų | 6 | 1% | 0.014 | 3% | 0.032 | C | C | . | . | S | Bend | trans | -94.5 | 30.9 | 179.7 | -167.1 | 0 | 0 | 0 | 0 | 112.6 | K333 Q334 T335 G340 S411 | S82-K333 WeakPolarHBondContact O-CG 3.34Å; S82-K333 WeakPolarHBondContact OG-CA 3.27Å; S82-Q334 WeakPolarHBondContact O-CA 3.35Å; S82-Q334 PolarHBondContact O-N 3.03Å; S82-Q334 PolarHBondContact OG-N 3.39Å; S82-T335 WeakPolarHBondContact CB-O 3.47Å; S82-T335 PolarHBondContact OG-N 2.86Å; S82-T335 PolarHBondContact OG-O 2.77Å; S82-G340 WeakPolarHBondContact CB-O 3.18Å; S82-G340 WeakPolarHBondContact OG-CA 3.23Å; S82-G340 PolarHBondContact OG-O 2.73Å; S82-S411 PolarHBondContact N-OG 2.95Å |
| 83 | T | 97.6 | Very high | 98.4 | Very high | 5 Ų | 5 | 5.9 Ų | 5.9 | 3% | 0.031 | 3% | 0.031 | C | C | . | . | S | Bend | trans | -149.6 | 155.7 | 176.3 | 46.9 | 0 | 0 | 0 | 0 | 111.3 | A81 P86 S87 N303 Q334 S411 | A81-T83 VanDerWaalsContact C-N 3.26Å; A81-T83 PolarHBondContact O-N 3.5Å; T83-P86 WeakPolarHBondContact OG1-CD 3.33Å; T83-P86 WeakPolarHBondContact OG1-CG 3.41Å; T83-S87 VanDerWaalsContact O-CB 3.23Å; T83-S87 WeakPolarHBondContact O-CB 3.47Å; T83-S87 PolarHBondContact O-N 3.16Å; T83-N303 WeakPolarHBondContact CA-OD1 3.36Å; T83-Q334 HydrophobicContact CG2-CG 4.14Å; T83-S411 WeakPolarHBondContact CG2-O 3.35Å |
| 84 | C | 98.1 | Very high | 98.4 | Very high | 0 Ų | 0 | 3.8 Ų | 3.8 | 0% | 0 | 2% | 0.023 | C | C | . | . | H | α-helix | trans | -58.5 | -63.2 | -169.6 | -51.7 | 0 | 0 | 0 | 0 | 114.3 | D44 S87 R88 N105 K137 H139 N303 | D44-C84 PolarHBondContact OD1-SG 2.89Å; D44-C84 VanDerWaalsContact OD1-SG 3.39Å; C84-S87 PolarHBondContact O-N 2.58Å; C84-R88 WeakPolarHBondContact O-CB 3.26Å; C84-R88 WeakPolarHBondContact O-CD 3.4Å; C84-R88 WeakPolarHBondContact O-CG 3.5Å; C84-R88 PolarHBondContact O-N 3.22Å; C84-N105 PolarHBondContact N-OD1 3.42Å; C84-K137 PolarHBondContact SG-NZ 3.47Å; C84-K137 VanDerWaalsContact SG-NZ 3.38Å; C84-H139 VanDerWaalsContact CB-ND1 3.34Å; C84-H139 WeakPolarHBondContact CB-ND1 3.49Å; C84-N303 PolarHBondContact N-OD1 3.37Å; C84-N303 VanDerWaalsContact N-OD1 3.17Å |
| 85 | S | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 3.8 Ų | 3.8 | 0% | 0 | 2% | 0.023 | C | C | . | . | H | α-helix | trans | -63 | -47.2 | -172.4 | -55.8 | 0 | 0 | 0 | 0 | 112.6 | S87 R88 A89 N105 F106 H139 L140 | S85-S87 VanDerWaalsContact C-N 3.32Å; S85-S87 PolarHBondContact O-N 2.98Å; S85-R88 PolarHBondContact O-N 2.98Å; S85-A89 VanDerWaalsContact O-CB 3.31Å; S85-A89 WeakPolarHBondContact O-CB 3.47Å; S85-A89 PolarHBondContact O-N 2.86Å; S85-N105 PolarHBondContact N-OD1 3.07Å; S85-N105 WeakPolarHBondContact OG-CA 3.43Å; S85-F106 PolarHBondContact OG-N 3.47Å; S85-H139 WeakPolarHBondContact CB-O 3.38Å; S85-H139 PolarHBondContact OG-CD2 2.88Å; S85-H139 PolarHBondContact OG-NE2 2.92Å; S85-H139 PolarHBondContact OG-O 3.4Å; S85-L140 VanDerWaalsContact O-CD2 3.29Å; S85-L140 WeakPolarHBondContact O-CD2 3.12Å |
| 86 | P | 98.7 | Very high | 98.5 | Very high | 5 Ų | 5 | 2.5 Ų | 2.5 | 3% | 0.032 | 2% | 0.015 | C | C | . | . | H | α-helix | trans | -62.7 | -37.6 | 178.9 | -25.5 | 38.5 | 0 | 0 | 0 | 113 | A81 T83 S90 V102 T103 | A81-P86 HydrophobicContact CB-CB 3.64Å; T83-P86 WeakPolarHBondContact OG1-CD 3.33Å; T83-P86 WeakPolarHBondContact OG1-CG 3.41Å; P86-S90 WeakPolarHBondContact O-CB 3.36Å; P86-S90 PolarHBondContact O-N 3.2Å; P86-S90 PolarHBondContact O-OG 3.16Å; P86-V102 WeakPolarHBondContact CB-O 3.17Å; P86-V102 HydrophobicContact CG-CG1 4.39Å; P86-T103 VanDerWaalsContact CG-C 3.41Å; P86-T103 WeakPolarHBondContact CG-O 3.47Å |
| 87 | S | 98.6 | Very high | 98.5 | Very high | 0 Ų | 0 | 1.6 Ų | 1.6 | 0% | 0 | 1% | 0.011 | C | C | . | . | H | α-helix | trans | -68.7 | -44.1 | 177.3 | -168 | 0 | 0 | 0 | 0 | 112.1 | T83 C84 S85 S90 L91 D302 | T83-S87 VanDerWaalsContact O-CB 3.23Å; T83-S87 WeakPolarHBondContact O-CB 3.47Å; T83-S87 PolarHBondContact O-N 3.16Å; C84-S87 PolarHBondContact O-N 2.58Å; S85-S87 VanDerWaalsContact C-N 3.32Å; S85-S87 PolarHBondContact O-N 2.98Å; S87-S90 WeakPolarHBondContact O-CB 3.4Å; S87-S90 PolarHBondContact O-N 3.25Å; S87-L91 PolarHBondContact O-N 3.41Å; S87-D302 WeakPolarHBondContact CB-O 3.31Å; S87-D302 PolarHBondContact OG-O 2.91Å |
| 88 | R | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 4 Ų | 4 | 0% | 0 | 2% | 0.024 | C | C | . | . | H | α-helix | trans | -63.8 | -40.8 | 175.9 | -69.8 | 164.3 | -171.2 | -97.1 | -8.3 | 112.3 | L42 D44 C84 S85 S90 L91 L92 K137 L140 D302 | L42-R88 HydrophobicContact CD2-CG 3.85Å; D44-R88 IonicContact OD1-NH2 3.54Å; D44-R88 PolarHBondContact OD1-NH2 2.87Å; D44-R88 IonicContact OD2-NH2 3.18Å; C84-R88 WeakPolarHBondContact O-CB 3.26Å; C84-R88 WeakPolarHBondContact O-CD 3.4Å; C84-R88 WeakPolarHBondContact O-CG 3.5Å; C84-R88 PolarHBondContact O-N 3.22Å; S85-R88 PolarHBondContact O-N 2.98Å; R88-S90 VanDerWaalsContact C-N 3.3Å; R88-S90 PolarHBondContact O-N 3.46Å; R88-L91 PolarHBondContact O-N 2.98Å; R88-L92 WeakPolarHBondContact O-CG 3.34Å; R88-L92 PolarHBondContact O-N 3.21Å; R88-L92 VanDerWaalsContact O-N 3.1Å; R88-K137 PolarHBondContact NH1-O 2.95Å; R88-L140 HydrophobicContact CB-CD1 4.26Å; R88-L140 HydrophobicContact CB-CD2 4.33Å; R88-L140 HydrophobicContact CB-CG 4.33Å; R88-D302 IonicContact CZ-OD2 2.66Å; R88-D302 IonicContact NE-OD2 3.82Å; R88-D302 PolarHBondContact NE-OD2 3.43Å; R88-D302 IonicContact NH2-OD2 2.9Å; R88-D302 PolarHBondContact NH2-OD2 3.46Å |
| 89 | A | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 4.2 Ų | 4.2 | 0% | 0 | 3% | 0.025 | C | C | . | . | H | α-helix | trans | -60.4 | -44.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | S85 L92 T93 V102 L114 L140 | S85-A89 VanDerWaalsContact O-CB 3.31Å; S85-A89 WeakPolarHBondContact O-CB 3.47Å; S85-A89 PolarHBondContact O-N 2.86Å; A89-L92 PolarHBondContact O-N 2.88Å; A89-T93 WeakPolarHBondContact O-CB 3.48Å; A89-T93 WeakPolarHBondContact O-CG2 3.46Å; A89-T93 PolarHBondContact O-N 2.9Å; A89-T93 PolarHBondContact O-OG1 2.94Å; A89-V102 HydrophobicContact CB-CB 3.73Å; A89-V102 HydrophobicContact CB-CG1 4.04Å; A89-V102 HydrophobicContact CB-CG2 3.85Å; A89-L114 HydrophobicContact CB-CD1 4.03Å; A89-L140 HydrophobicContact CB-CD2 3.71Å |
| 90 | S | 98.8 | Very high | 98.4 | Very high | 1 Ų | 1 | 4.2 Ų | 4.2 | 1% | 0.007 | 2% | 0.024 | C | C | . | . | H | α-helix | trans | -66.2 | -39 | 179.8 | -58.8 | 0 | 0 | 0 | 0 | 112.7 | A80 P86 S87 R88 T93 G94 R95 | A80-S90 WeakPolarHBondContact CB-OG 3.44Å; P86-S90 WeakPolarHBondContact O-CB 3.36Å; P86-S90 PolarHBondContact O-N 3.2Å; P86-S90 PolarHBondContact O-OG 3.16Å; S87-S90 WeakPolarHBondContact O-CB 3.4Å; S87-S90 PolarHBondContact O-N 3.25Å; R88-S90 VanDerWaalsContact C-N 3.3Å; R88-S90 PolarHBondContact O-N 3.46Å; S90-T93 PolarHBondContact O-N 3.04Å; S90-G94 VanDerWaalsContact O-CA 3.31Å; S90-G94 WeakPolarHBondContact O-CA 3.47Å; S90-G94 PolarHBondContact O-N 3.21Å; S90-R95 VanDerWaalsContact CA-O 3.3Å; S90-R95 WeakPolarHBondContact CA-O 3.33Å; S90-R95 WeakPolarHBondContact CB-O 3.33Å; S90-R95 PolarHBondContact OG-O 2.67Å |
| 91 | L | 98.9 | Very high | 98.4 | Very high | 1 Ų | 1 | 4.6 Ų | 4.6 | 1% | 0.005 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -58.1 | -49.2 | 172.4 | -171.5 | 155.2 | 0 | 0 | 0 | 111 | I40 L42 S87 R88 T93 Y244 V365 I368 | I40-L91 HydrophobicContact CG2-CD1 4.43Å; L42-L91 HydrophobicContact CD1-CD1 4Å; L42-L91 HydrophobicContact CD2-CD1 4.1Å; S87-L91 PolarHBondContact O-N 3.41Å; R88-L91 PolarHBondContact O-N 2.98Å; L91-T93 VanDerWaalsContact C-N 3.31Å; L91-T93 PolarHBondContact O-N 2.65Å; L91-Y244 HydrophobicContact CD1-CE2 4.24Å; L91-Y244 HydrophobicContact CD2-CE2 4.16Å; L91-V365 HydrophobicContact CB-CG1 3.41Å; L91-V365 VanDerWaalsContact CB-CG1 3.41Å; L91-V365 HydrophobicContact CD1-CG1 3.86Å; L91-V365 HydrophobicContact CG-CG1 3.8Å; L91-I368 HydrophobicContact CD1-CD1 3.95Å; L91-I368 HydrophobicContact CD2-CG2 4.41Å; L91-I368 HydrophobicContact CG-CD1 4.16Å; L91-I368 HydrophobicContact CG-CG2 4.45Å |
| 92 | L | 98.9 | Very high | 98.5 | Very high | 2 Ų | 2 | 4.3 Ų | 4.3 | 1% | 0.01 | 3% | 0.026 | C | C | . | . | H | α-helix | trans | -80 | -11.6 | -172.6 | -67.2 | 174.6 | 0 | 0 | 0 | 113.7 | R88 A89 T120 L121 W138 L140 F153 Y244 F369 | R88-L92 WeakPolarHBondContact O-CG 3.34Å; R88-L92 PolarHBondContact O-N 3.21Å; R88-L92 VanDerWaalsContact O-N 3.1Å; A89-L92 PolarHBondContact O-N 2.88Å; L92-T120 CarbonylContact O-C 3.54Å; L92-T120 WeakPolarHBondContact O-CA 3.22Å; L92-L121 HydrophobicContact CD2-CB 4.48Å; L92-L121 PolarHBondContact O-N 2.9Å; L92-W138 HydrophobicContact CD1-CE3 4.42Å; L92-W138 HydrophobicContact CD1-CH2 3.81Å; L92-W138 HydrophobicContact CD1-CZ3 3.38Å; L92-L140 HydrophobicContact CD1-CD1 3.66Å; L92-F153 HydrophobicContact CD2-CZ 4.3Å; L92-Y244 HydrophobicContact CD1-CE1 4.29Å; L92-Y244 HydrophobicContact CD2-CD1 4.35Å; L92-Y244 HydrophobicContact CD2-CE1 4.28Å; L92-F369 WeakPolarHBondContact O-CD2 3.19Å; L92-F369 WeakPolarHBondContact O-CE2 3.34Å |
| 93 | T | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 5.6 Ų | 5.6 | 0% | 0 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -120.6 | -14.5 | -179.3 | 60.1 | 0 | 0 | 0 | 0 | 113.9 | A89 S90 L91 R95 N100 L114 E118 F369 F386 | A89-T93 WeakPolarHBondContact O-CB 3.48Å; A89-T93 WeakPolarHBondContact O-CG2 3.46Å; A89-T93 PolarHBondContact O-N 2.9Å; A89-T93 PolarHBondContact O-OG1 2.94Å; S90-T93 PolarHBondContact O-N 3.04Å; L91-T93 VanDerWaalsContact C-N 3.31Å; L91-T93 PolarHBondContact O-N 2.65Å; T93-R95 PolarHBondContact O-N 3.28Å; T93-R95 PolarHBondContact OG1-N 3.32Å; T93-R95 PolarHBondContact OG1-O 3.08Å; T93-N100 PolarHBondContact OG1-ND2 3.27Å; T93-L114 HydrophobicContact CG2-CD1 4.1Å; T93-L114 HydrophobicContact CG2-CD2 4.27Å; T93-E118 HydrophobicContact CG2-CB 4.11Å; T93-E118 HydrophobicContact CG2-CG 4.47Å; T93-F369 VanDerWaalsContact C-CD2 3.48Å; T93-F386 WeakPolarHBondContact O-CD1 3.4Å; T93-F386 WeakPolarHBondContact O-CE1 3.37Å |
| 94 | G | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 8.2 Ų | 8.2 | 0% | 0 | 5% | 0.046 | C | C | . | . | S | Bend | trans | 64.9 | 18.3 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | S90 D387 G388 | S90-G94 VanDerWaalsContact O-CA 3.31Å; S90-G94 WeakPolarHBondContact O-CA 3.47Å; S90-G94 PolarHBondContact O-N 3.21Å; G94-D387 PolarHBondContact O-N 3.16Å; G94-G388 PolarHBondContact O-N 2.69Å |
| 95 | R | 98.6 | Very high | 98.3 | Very high | 1 Ų | 1 | 10.9 Ų | 10.9 | 0% | 0.004 | 6% | 0.06 | C | C | . | . | S | Bend | trans | -130 | 139.3 | -170.6 | -74.1 | 164.1 | 60.6 | 84.2 | -5.8 | 110.2 | S90 T93 R99 N100 E118 R385 F386 D387 D496 N497 | S90-R95 VanDerWaalsContact CA-O 3.3Å; S90-R95 WeakPolarHBondContact CA-O 3.33Å; S90-R95 WeakPolarHBondContact CB-O 3.33Å; S90-R95 PolarHBondContact OG-O 2.67Å; T93-R95 PolarHBondContact O-N 3.28Å; T93-R95 PolarHBondContact OG1-N 3.32Å; T93-R95 PolarHBondContact OG1-O 3.08Å; R95-R99 HydrophobicContact CB-CB 4.12Å; R95-R99 PolarHBondContact NH2-O 3.35Å; R95-R99 VanDerWaalsContact NH2-O 3.11Å; R95-N100 HydrophobicContact CB-CB 4.24Å; R95-N100 PolarHBondContact O-ND2 3.08Å; R95-E118 IonicContact CZ-OE1 3.02Å; R95-E118 IonicContact NE-OE1 3.78Å; R95-E118 PolarHBondContact NE-OE1 2.77Å; R95-E118 IonicContact NE-OE2 2.64Å; R95-E118 PolarHBondContact NE-OE2 2.75Å; R95-E118 IonicContact NH2-OE1 3.36Å; R95-E118 PolarHBondContact NH2-OE1 2.91Å; R95-E118 VanDerWaalsContact NH2-OE1 3.17Å; R95-R385 WeakPolarHBondContact CG-O 3.45Å; R95-R385 PolarHBondContact NH1-O 3.18Å; R95-F386 HydrophobicContact CG-CD1 4.15Å; R95-F386 HydrophobicContact CG-CE1 4.49Å; R95-D387 WeakPolarHBondContact CA-OD2 3.05Å; R95-D496 IonicContact CZ-OD2 2.76Å; R95-D496 IonicContact NH1-OD1 3.4Å; R95-D496 IonicContact NH1-OD2 3.53Å; R95-D496 PolarHBondContact NH1-OD2 2.8Å; R95-D496 IonicContact NH2-OD2 3.38Å; R95-N497 PolarHBondContact NH2-O 2.95Å |
| 96 | L | 98.6 | Very high | 98.3 | Very high | 4 Ų | 4 | 11.2 Ų | 11.2 | 2% | 0.021 | 6% | 0.062 | C | C | . | . | trans | -64 | 158.9 | 175.5 | -73 | 169.2 | 0 | 0 | 0 | 112 | L98 R99 N100 L366 D387 F407 P409 L420 | L96-L98 PolarHBondContact O-N 3.35Å; L96-R99 WeakPolarHBondContact O-CA 3.49Å; L96-R99 WeakPolarHBondContact O-CB 3.23Å; L96-R99 PolarHBondContact O-N 2.83Å; L96-N100 PolarHBondContact O-N 3.33Å; L96-N100 PolarHBondContact O-ND2 3.49Å; L96-L366 HydrophobicContact CD2-CD1 3.89Å; L96-L366 HydrophobicContact CD2-CD2 4.48Å; L96-L366 HydrophobicContact CG-CD1 4.23Å; L96-D387 WeakPolarHBondContact CB-OD2 3.38Å; L96-D387 HydrophobicContact CD1-CB 4.28Å; L96-D387 HydrophobicContact CG-CB 4.03Å; L96-D387 WeakPolarHBondContact CG-OD2 3.45Å; L96-D387 PolarHBondContact N-OD2 2.99Å; L96-F407 HydrophobicContact CD1-CB 4.49Å; L96-P409 HydrophobicContact CD2-CG 3.96Å; L96-L420 HydrophobicContact CD1-CD1 4.41Å | ||
| 97 | G | 97.9 | Very high | 98.1 | Very high | 4 Ų | 4 | 11.8 Ų | 11.8 | 4% | 0.041 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -53.9 | -35.5 | 179 | 0 | 0 | 0 | 0 | 0 | 114.7 | R99 N100 G101 V102 | G97-R99 PolarHBondContact O-N 2.82Å; G97-N100 WeakPolarHBondContact CA-OD1 3.46Å; G97-G101 CarbonylContact O-C 3.56Å; G97-G101 VanDerWaalsContact O-CA 3.31Å; G97-G101 WeakPolarHBondContact O-CA 3.45Å; G97-G101 PolarHBondContact O-N 3.47Å; G97-V102 WeakPolarHBondContact CA-O 3.4Å; G97-V102 PolarHBondContact O-N 2.85Å |
| 98 | L | 97.8 | Very high | 98 | Very high | 51 Ų | 51 | 12.2 Ų | 12.2 | 27% | 0.267 | 7% | 0.07 | S | C | . | . | H | α-helix | trans | -68 | -18.5 | 175.4 | -67 | -177.3 | 0 | 0 | 0 | 114 | L96 T103 G418 L420 I493 | L96-L98 PolarHBondContact O-N 3.35Å; L98-T103 HydrophobicContact CD2-CG2 4.36Å; L98-G418 VanDerWaalsContact CD1-O 3.3Å; L98-G418 WeakPolarHBondContact CD1-O 3.33Å; L98-G418 WeakPolarHBondContact CD2-O 3.44Å; L98-G418 WeakPolarHBondContact CG-O 3.29Å; L98-L420 HydrophobicContact CD1-CD1 4.33Å; L98-L420 HydrophobicContact CD1-CD2 4.4Å; L98-L420 HydrophobicContact CD1-CG 3.81Å; L98-I493 HydrophobicContact CB-CD1 4.31Å; L98-I493 HydrophobicContact CB-CG2 4.11Å; L98-I493 HydrophobicContact CD1-CD1 4.18Å |
| 99 | R | 98.4 | Very high | 97.8 | Very high | 5 Ų | 5 | 13.4 Ų | 13.4 | 2% | 0.019 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -97.7 | -44.3 | 175.9 | -64.5 | -172.5 | -164.3 | -84.2 | -0.6 | 112.2 | R95 L96 G97 G101 D387 D492 I493 D496 I498 S499 | R95-R99 HydrophobicContact CB-CB 4.12Å; R95-R99 PolarHBondContact NH2-O 3.35Å; R95-R99 VanDerWaalsContact NH2-O 3.11Å; L96-R99 WeakPolarHBondContact O-CA 3.49Å; L96-R99 WeakPolarHBondContact O-CB 3.23Å; L96-R99 PolarHBondContact O-N 2.83Å; G97-R99 PolarHBondContact O-N 2.82Å; R99-G101 VanDerWaalsContact C-N 3.33Å; R99-D387 WeakPolarHBondContact CD-OD2 3.44Å; R99-D387 IonicContact CZ-OD1 3.55Å; R99-D387 VanDerWaalsContact CZ-OD1 3.29Å; R99-D387 IonicContact NE-OD1 3.12Å; R99-D387 PolarHBondContact NE-OD1 2.04Å; R99-D387 IonicContact NE-OD2 2.93Å; R99-D387 PolarHBondContact NE-OD2 3.2Å; R99-D387 IonicContact NH2-OD1 3.46Å; R99-D387 PolarHBondContact NH2-OD1 2.93Å; R99-D492 IonicContact CZ-OD2 2.81Å; R99-D492 IonicContact NH1-OD2 3.98Å; R99-D492 PolarHBondContact NH1-OD2 3.38Å; R99-D492 IonicContact NH2-OD2 3.29Å; R99-D492 PolarHBondContact NH2-OD2 2.8Å; R99-I493 HydrophobicContact CG-CG1 4.16Å; R99-I493 HydrophobicContact CG-CG2 4.45Å; R99-I493 VanDerWaalsContact CZ-CG1 3.47Å; R99-D496 WeakPolarHBondContact CD-OD2 3.26Å; R99-D496 IonicContact CZ-OD2 3.07Å; R99-D496 IonicContact NH1-OD2 3.38Å; R99-D496 PolarHBondContact NH1-OD2 3.05Å; R99-D496 VanDerWaalsContact NH1-OD2 3.13Å; R99-I498 WeakPolarHBondContact O-CA 2.92Å; R99-S499 PolarHBondContact O-N 3.27Å |
| 100 | N | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -83.6 | -11 | -177.5 | 73.7 | 36.2 | 0 | 0 | 0 | 113.4 | T93 R95 L96 G97 V102 P115 E118 S499 | T93-N100 PolarHBondContact OG1-ND2 3.27Å; R95-N100 HydrophobicContact CB-CB 4.24Å; R95-N100 PolarHBondContact O-ND2 3.08Å; L96-N100 PolarHBondContact O-N 3.33Å; L96-N100 PolarHBondContact O-ND2 3.49Å; G97-N100 WeakPolarHBondContact CA-OD1 3.46Å; N100-V102 WeakPolarHBondContact OD1-CB 3.27Å; N100-V102 PolarHBondContact OD1-N 2.98Å; N100-P115 VanDerWaalsContact O-CD 3.25Å; N100-P115 WeakPolarHBondContact O-CD 3.43Å; N100-P115 VanDerWaalsContact O-CG 3.27Å; N100-P115 WeakPolarHBondContact O-CG 3.36Å; N100-E118 WeakPolarHBondContact CA-OE1 3.37Å; N100-E118 HydrophobicContact CB-CG 4.14Å; N100-S499 WeakPolarHBondContact O-CB 3.29Å |
| 101 | G | 98.1 | Very high | 97.7 | Very high | 10 Ų | 10 | 15.2 Ų | 15.2 | 10% | 0.103 | 9% | 0.088 | C | C | . | . | S | Bend | trans | 88.8 | -8.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | G97 R99 S499 A501 | G97-G101 CarbonylContact O-C 3.56Å; G97-G101 VanDerWaalsContact O-CA 3.31Å; G97-G101 WeakPolarHBondContact O-CA 3.45Å; G97-G101 PolarHBondContact O-N 3.47Å; R99-G101 VanDerWaalsContact C-N 3.33Å; G101-S499 WeakPolarHBondContact CA-O 3.27Å; G101-S499 PolarHBondContact N-O 3Å; G101-A501 WeakPolarHBondContact O-CB 3.46Å; G101-A501 PolarHBondContact O-N 2.83Å |
| 102 | V | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 9% | 0.087 | C | C | . | . | trans | -96.3 | 99.9 | -177.9 | -173.3 | 0 | 0 | 0 | 0 | 110 | P86 A89 G97 N100 F106 L114 L140 A501 Y503 | P86-V102 WeakPolarHBondContact CB-O 3.17Å; P86-V102 HydrophobicContact CG-CG1 4.39Å; A89-V102 HydrophobicContact CB-CB 3.73Å; A89-V102 HydrophobicContact CB-CG1 4.04Å; A89-V102 HydrophobicContact CB-CG2 3.85Å; G97-V102 WeakPolarHBondContact CA-O 3.4Å; G97-V102 PolarHBondContact O-N 2.85Å; N100-V102 WeakPolarHBondContact OD1-CB 3.27Å; N100-V102 PolarHBondContact OD1-N 2.98Å; V102-F106 HydrophobicContact CG1-CE2 3.68Å; V102-F106 HydrophobicContact CG1-CZ 4.11Å; V102-F106 HydrophobicContact CG2-CE2 4.13Å; V102-F106 HydrophobicContact CG2-CZ 4.09Å; V102-L114 HydrophobicContact CG2-CD1 3.84Å; V102-L140 HydrophobicContact CG1-CD2 4.44Å; V102-A501 HydrophobicContact CG2-CB 4.34Å; V102-Y503 WeakPolarHBondContact CA-OH 3.24Å | ||
| 103 | T | 97.7 | Very high | 97.6 | Very high | 29 Ų | 29 | 15 Ų | 15 | 18% | 0.178 | 9% | 0.087 | C | C | . | . | trans | -107.7 | -18.3 | -176.7 | 59.6 | 0 | 0 | 0 | 0 | 114 | P86 L98 Y503 | P86-T103 VanDerWaalsContact CG-C 3.41Å; P86-T103 WeakPolarHBondContact CG-O 3.47Å; L98-T103 HydrophobicContact CD2-CG2 4.36Å; T103-Y503 PolarHBondContact N-OH 2.93Å | ||
| 104 | H | 95 | Very high | 97.6 | Very high | 59 Ų | 59 | 15.1 Ų | 15.1 | 27% | 0.273 | 9% | 0.087 | S | C | . | . | S | Bend | trans | -145.7 | 170.8 | 176.1 | 60.7 | -78.2 | 0 | 0 | 0 | 112.3 | F417 Y503 | H104-F417 HydrophobicContact CB-CB 4.41Å; H104-F417 HydrophobicContact CB-CD1 3.86Å; H104-F417 HydrophobicContact CB-CD2 4.4Å; H104-F417 HydrophobicContact CB-CE1 4.16Å; H104-F417 HydrophobicContact CB-CG 3.99Å; H104-Y503 AromaticContact CD2-CD1 3.82Å; H104-Y503 AromaticContact CD2-CE1 3.62Å; H104-Y503 AromaticContact CE1-CD1 3.46Å; H104-Y503 VanDerWaalsContact CE1-CD1 3.46Å; H104-Y503 WeakPolarHBondContact CE1-CD1 3.37Å; H104-Y503 AromaticContact CE1-CD2 3.28Å; H104-Y503 WeakPolarHBondContact CE1-CD2 3.22Å; H104-Y503 AromaticContact CE1-CE1 3.4Å; H104-Y503 WeakPolarHBondContact CE1-CE1 3.42Å; H104-Y503 AromaticContact CE1-CE2 3.19Å; H104-Y503 WeakPolarHBondContact CE1-CE2 3.3Å; H104-Y503 AromaticContact CE1-CG 3.38Å; H104-Y503 AromaticContact CE1-CZ 3.24Å; H104-Y503 AromaticContact CG-CE1 3.87Å; H104-Y503 AromaticContact CG-CZ 3.88Å; H104-Y503 PolarHBondContact N-OH 2.02Å; H104-Y503 VanDerWaalsContact N-OH 3.12Å; H104-Y503 AromaticContact ND1-CE1 3.72Å; H104-Y503 AromaticContact ND1-CE2 3.59Å; H104-Y503 AromaticContact ND1-CZ 3.34Å; H104-Y503 VanDerWaalsContact ND1-CZ 3.34Å; H104-Y503 AromaticContact NE2-CD1 3.15Å; H104-Y503 WeakPolarHBondContact NE2-CD1 3Å; H104-Y503 AromaticContact NE2-CD2 3.81Å; H104-Y503 AromaticContact NE2-CE1 3.34Å; H104-Y503 VanDerWaalsContact NE2-CE1 3.34Å; H104-Y503 WeakPolarHBondContact NE2-CE1 3.21Å; H104-Y503 AromaticContact NE2-CE2 3.95Å; H104-Y503 AromaticContact NE2-CG 3.38Å; H104-Y503 AromaticContact NE2-CZ 3.72Å; H104-Y503 WeakPolarHBondContact O-CE1 3.49Å; H104-Y503 PolarHBondContact O-OH 3.46Å |
| 105 | N | 97.3 | Very high | 97.6 | Very high | 57 Ų | 57 | 15.4 Ų | 15.4 | 31% | 0.305 | 9% | 0.089 | S | C | . | . | P | Polyproline II helix | trans | -68.4 | 141.4 | -177.2 | -72.4 | -5.4 | 0 | 0 | 0 | 112.4 | C84 S85 | C84-N105 PolarHBondContact N-OD1 3.42Å; S85-N105 PolarHBondContact N-OD1 3.07Å; S85-N105 WeakPolarHBondContact OG-CA 3.43Å |
| 106 | F | 98.1 | Very high | 97.5 | Very high | 6 Ų | 6 | 19.2 Ų | 19.2 | 3% | 0.026 | 11% | 0.109 | C | C | . | . | P | Polyproline II helix | trans | -80.3 | 151.3 | 173.2 | -65.5 | -75 | 0 | 0 | 0 | 111.3 | S85 V102 G113 H139 L140 M165 A501 Y503 | S85-F106 PolarHBondContact OG-N 3.47Å; V102-F106 HydrophobicContact CG1-CE2 3.68Å; V102-F106 HydrophobicContact CG1-CZ 4.11Å; V102-F106 HydrophobicContact CG2-CE2 4.13Å; V102-F106 HydrophobicContact CG2-CZ 4.09Å; F106-G113 VanDerWaalsContact CZ-CA 3.49Å; F106-G113 WeakPolarHBondContact CZ-O 3.42Å; F106-H139 PolarHBondContact O-NE2 2.9Å; F106-L140 HydrophobicContact CE2-CD2 4.44Å; F106-M165 VanDerWaalsContact O-CE 3.32Å; F106-M165 WeakPolarHBondContact O-CE 3.33Å; F106-A501 HydrophobicContact CE1-CB 4.17Å; F106-A501 HydrophobicContact CZ-CB 3.9Å; F106-Y503 AromaticContact CD1-CD1 3.69Å; F106-Y503 HydrophobicContact CD1-CD1 3.69Å; F106-Y503 AromaticContact CD1-CE1 3.56Å; F106-Y503 HydrophobicContact CD1-CE1 3.56Å; F106-Y503 AromaticContact CE1-CD1 3.58Å; F106-Y503 HydrophobicContact CE1-CD1 3.58Å; F106-Y503 AromaticContact CE1-CE1 3.28Å; F106-Y503 HydrophobicContact CE1-CE1 3.28Å; F106-Y503 HydrophobicContact CE1-CG 4.42Å; F106-Y503 AromaticContact CE1-CZ 3.93Å; F106-Y503 HydrophobicContact CG-CE1 4.3Å; F106-Y503 AromaticContact CZ-CE1 3.82Å; F106-Y503 HydrophobicContact CZ-CE1 3.82Å |
| 107 | A | 95.7 | Very high | 97.5 | Very high | 18 Ų | 18 | 22.7 Ų | 22.7 | 15% | 0.149 | 13% | 0.128 | C | C | . | . | P | Polyproline II helix | trans | -95.3 | 166.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | T109 S110 Q505 | A107-T109 PolarHBondContact O-N 3.13Å; A107-S110 PolarHBondContact N-OG 3.25Å; A107-S110 VanDerWaalsContact O-CB 3.32Å; A107-S110 WeakPolarHBondContact O-CB 3.41Å; A107-S110 PolarHBondContact O-N 3.1Å; A107-S110 PolarHBondContact O-OG 3.32Å; A107-Q505 HydrophobicContact CB-CG 4.45Å |
| 108 | V | 95.4 | Very high | 97.5 | Very high | 9 Ų | 9 | 22.7 Ų | 22.7 | 6% | 0.055 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -21.6 | 172.8 | -53.3 | 0 | 0 | 0 | 0 | 113 | H142 Y161 M165 Y196 | V108-H142 PolarHBondContact O-CE1 3.36Å; V108-H142 PolarHBondContact O-NE2 3.49Å; V108-H142 VanDerWaalsContact O-NE2 3.15Å; V108-Y161 HydrophobicContact CB-CD1 4.49Å; V108-Y161 HydrophobicContact CB-CE1 3.97Å; V108-Y161 HydrophobicContact CG1-CD1 4.16Å; V108-Y161 HydrophobicContact CG1-CD2 4.07Å; V108-Y161 HydrophobicContact CG1-CE1 3.89Å; V108-Y161 HydrophobicContact CG1-CE2 3.76Å; V108-Y161 HydrophobicContact CG1-CG 4.25Å; V108-M165 HydrophobicContact CG1-CB 3.67Å; V108-M165 HydrophobicContact CG1-CE 3.95Å; V108-M165 WeakPolarHBondContact CG1-O 3.49Å; V108-Y196 HydrophobicContact CG1-CD1 4.23Å; V108-Y196 HydrophobicContact CG1-CE1 3.86Å; V108-Y196 HydrophobicContact CG2-CD1 4.28Å; V108-Y196 HydrophobicContact CG2-CE1 3.87Å |
| 109 | T | 96.4 | Very high | 97.5 | Very high | 24 Ų | 24 | 22 Ų | 22 | 15% | 0.147 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | 1.4 | 178.1 | 52.8 | 0 | 0 | 0 | 0 | 112.5 | A107 V111 Q505 D506 V509 | A107-T109 PolarHBondContact O-N 3.13Å; T109-V111 PolarHBondContact O-N 3.39Å; T109-Q505 CarbonylContact O-C 3.44Å; T109-Q505 VanDerWaalsContact O-CA 3.23Å; T109-Q505 WeakPolarHBondContact O-CA 3.49Å; T109-Q505 WeakPolarHBondContact OG1-CG 3.33Å; T109-Q505 PolarHBondContact OG1-OE1 3.16Å; T109-D506 PolarHBondContact O-N 3.43Å; T109-V509 VanDerWaalsContact O-CG2 3.26Å; T109-V509 WeakPolarHBondContact O-CG2 3.44Å |
| 110 | S | 96.9 | Very high | 97.5 | Very high | 2 Ų | 2 | 21.8 Ų | 21.8 | 1% | 0.014 | 12% | 0.124 | C | C | . | . | B | Isolated β-bridge | trans | -64.7 | 122.2 | -178.8 | -75 | 0 | 0 | 0 | 0 | 111.5 | A107 T504 | A107-S110 PolarHBondContact N-OG 3.25Å; A107-S110 VanDerWaalsContact O-CB 3.32Å; A107-S110 WeakPolarHBondContact O-CB 3.41Å; A107-S110 PolarHBondContact O-N 3.1Å; A107-S110 PolarHBondContact O-OG 3.32Å; S110-T504 WeakPolarHBondContact CA-O 3.4Å |
| 111 | V | 97.3 | Very high | 97.5 | Very high | 37 Ų | 37 | 21.9 Ų | 21.9 | 22% | 0.224 | 12% | 0.124 | C | C | . | . | S | Bend | trans | -73 | -38.9 | 174.9 | -178.7 | 0 | 0 | 0 | 0 | 110.5 | T109 Y146 T504 D506 V509 | T109-V111 PolarHBondContact O-N 3.39Å; V111-Y146 WeakPolarHBondContact O-CE2 3.45Å; V111-T504 HydrophobicContact CG2-CG2 4.24Å; V111-T504 PolarHBondContact N-O 3.16Å; V111-D506 HydrophobicContact CG2-CB 3.53Å; V111-V509 HydrophobicContact CG2-CG1 4.22Å; V111-V509 HydrophobicContact CG2-CG2 4.28Å |
| 112 | G | 97.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 12% | 0.12 | C | C | . | . | trans | -90.6 | -173.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | G141 Y146 D502 | G112-G141 WeakPolarHBondContact O-CA 3.39Å; G112-Y146 VanDerWaalsContact CA-CE2 3.44Å; G112-D502 VanDerWaalsContact CA-O 3.24Å; G112-D502 WeakPolarHBondContact CA-O 3.42Å | ||
| 113 | G | 98.2 | Very high | 97.6 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 13% | 0.128 | C | C | . | . | trans | -169.5 | -156.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | F106 P115 L140 Y146 | F106-G113 VanDerWaalsContact CZ-CA 3.49Å; F106-G113 WeakPolarHBondContact CZ-O 3.42Å; G113-P115 WeakPolarHBondContact O-CD 3.49Å; G113-P115 VanDerWaalsContact O-N 3.14Å; G113-L140 CarbonylContact C-O 3.59Å; G113-L140 WeakPolarHBondContact CA-O 3.38Å; G113-Y146 VanDerWaalsContact CA-CD1 3.45Å | ||
| 114 | L | 98.7 | Very high | 97.6 | Very high | 1 Ų | 1 | 22.1 Ų | 22.1 | 1% | 0.005 | 12% | 0.122 | C | C | . | . | S | Bend | trans | -53 | 120 | 169.2 | 175.7 | 69.9 | 0 | 0 | 0 | 108.8 | A89 T93 V102 L116 E118 T120 L140 Y146 | A89-L114 HydrophobicContact CB-CD1 4.03Å; T93-L114 HydrophobicContact CG2-CD1 4.1Å; T93-L114 HydrophobicContact CG2-CD2 4.27Å; V102-L114 HydrophobicContact CG2-CD1 3.84Å; L114-L116 PolarHBondContact O-N 2.6Å; L114-E118 HydrophobicContact CD1-CB 4.33Å; L114-E118 HydrophobicContact CD1-CG 4.44Å; L114-E118 HydrophobicContact CG-CB 4.43Å; L114-T120 HydrophobicContact CD2-CG2 3.84Å; L114-L140 HydrophobicContact CB-CB 4.1Å; L114-L140 HydrophobicContact CD2-CD1 4.43Å; L114-L140 PolarHBondContact N-O 2.92Å; L114-Y146 VanDerWaalsContact O-CD1 3.26Å; L114-Y146 WeakPolarHBondContact O-CD1 3.16Å; L114-Y146 WeakPolarHBondContact O-CE1 3.33Å |
| 115 | P | 98.4 | Very high | 97.8 | Very high | 7 Ų | 7 | 19.3 Ų | 19.3 | 5% | 0.045 | 11% | 0.109 | C | C | . | . | trans | -50 | 133 | -174.3 | -34.2 | 40.5 | 0 | 0 | 0 | 113.1 | N100 G113 N117 E118 R151 S500 A501 | N100-P115 VanDerWaalsContact O-CD 3.25Å; N100-P115 WeakPolarHBondContact O-CD 3.43Å; N100-P115 VanDerWaalsContact O-CG 3.27Å; N100-P115 WeakPolarHBondContact O-CG 3.36Å; G113-P115 WeakPolarHBondContact O-CD 3.49Å; G113-P115 VanDerWaalsContact O-N 3.14Å; P115-N117 WeakPolarHBondContact CB-OD1 3.38Å; P115-N117 PolarHBondContact O-N 2.93Å; P115-N117 VanDerWaalsContact O-N 3.11Å; P115-E118 HydrophobicContact CB-CG 4.42Å; P115-E118 WeakPolarHBondContact O-CB 3.4Å; P115-E118 PolarHBondContact O-N 3.05Å; P115-R151 PolarHBondContact O-NH2 2.78Å; P115-R151 VanDerWaalsContact O-NH2 3.13Å; P115-S500 VanDerWaalsContact CG-C 3.48Å; P115-S500 WeakPolarHBondContact CG-O 3.31Å; P115-A501 HydrophobicContact CG-CB 4.16Å | ||
| 116 | L | 97.6 | Very high | 97.8 | Very high | 80 Ų | 80 | 20.4 Ų | 20.4 | 42% | 0.419 | 11% | 0.112 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -17.2 | -174.3 | -58.6 | -179.7 | 0 | 0 | 0 | 113.4 | L114 E118 S145 Y146 | L114-L116 PolarHBondContact O-N 2.6Å; L116-E118 VanDerWaalsContact C-N 3.33Å; L116-S145 WeakPolarHBondContact CD2-O 3.18Å; L116-Y146 HydrophobicContact CD2-CD1 3.65Å; L116-Y146 HydrophobicContact CD2-CE1 3.62Å; L116-Y146 HydrophobicContact CD2-CG 4.37Å; L116-Y146 HydrophobicContact CG-CD1 4.29Å; L116-Y146 HydrophobicContact CG-CE1 3.72Å |
| 117 | N | 96.9 | Very high | 97.8 | Very high | 78 Ų | 78 | 27.9 Ų | 27.9 | 42% | 0.417 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -13.5 | 173.8 | 71 | -23.3 | 0 | 0 | 0 | 113 | P115 R384 S499 | P115-N117 WeakPolarHBondContact CB-OD1 3.38Å; P115-N117 PolarHBondContact O-N 2.93Å; P115-N117 VanDerWaalsContact O-N 3.11Å; N117-R384 PolarHBondContact ND2-NH2 3.28Å; N117-R384 PolarHBondContact O-NH2 3.18Å; N117-S499 PolarHBondContact ND2-OG 3.27Å; N117-S499 WeakPolarHBondContact OD1-CB 3.47Å; N117-S499 PolarHBondContact OD1-OG 2.8Å |
| 118 | E | 98.3 | Very high | 98 | Very high | 3 Ų | 3 | 28.1 Ų | 28.1 | 1% | 0.014 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -76.5 | 143.1 | 170.5 | -73.7 | -65.5 | 166.1 | 0 | 0 | 110.5 | T93 R95 N100 L114 P115 L116 R151 R384 S499 | T93-E118 HydrophobicContact CG2-CB 4.11Å; T93-E118 HydrophobicContact CG2-CG 4.47Å; R95-E118 IonicContact CZ-OE1 3.02Å; R95-E118 IonicContact NE-OE1 3.78Å; R95-E118 PolarHBondContact NE-OE1 2.77Å; R95-E118 IonicContact NE-OE2 2.64Å; R95-E118 PolarHBondContact NE-OE2 2.75Å; R95-E118 IonicContact NH2-OE1 3.36Å; R95-E118 PolarHBondContact NH2-OE1 2.91Å; R95-E118 VanDerWaalsContact NH2-OE1 3.17Å; N100-E118 WeakPolarHBondContact CA-OE1 3.37Å; N100-E118 HydrophobicContact CB-CG 4.14Å; L114-E118 HydrophobicContact CD1-CB 4.33Å; L114-E118 HydrophobicContact CD1-CG 4.44Å; L114-E118 HydrophobicContact CG-CB 4.43Å; P115-E118 HydrophobicContact CB-CG 4.42Å; P115-E118 WeakPolarHBondContact O-CB 3.4Å; P115-E118 PolarHBondContact O-N 3.05Å; L116-E118 VanDerWaalsContact C-N 3.33Å; E118-R151 PolarHBondContact O-NH2 3.46Å; E118-R384 IonicContact OE1-CZ 2.86Å; E118-R384 IonicContact OE1-NH1 3.28Å; E118-R384 PolarHBondContact OE1-NH1 3.03Å; E118-R384 IonicContact OE2-CZ 3.95Å; E118-R384 IonicContact OE2-NE 3.04Å; E118-R384 IonicContact OE2-NH1 3.53Å; E118-R384 PolarHBondContact OE2-NH1 3.02Å; E118-S499 PolarHBondContact OE1-OG 3.38Å; E118-S499 VanDerWaalsContact OE1-OG 3.08Å |
| 119 | T | 98.2 | Very high | 98 | Very high | 38 Ų | 38 | 29.5 Ų | 29.5 | 23% | 0.233 | 16% | 0.164 | C | C | . | . | P | Polyproline II helix | trans | -102.8 | 122 | 177.3 | -51.9 | 0 | 0 | 0 | 0 | 109.7 | E123 V124 P381 | T119-E123 VanDerWaalsContact CA-OE2 3.29Å; T119-E123 WeakPolarHBondContact CA-OE2 3.39Å; T119-E123 HydrophobicContact CG2-CB 3.95Å; T119-V124 HydrophobicContact CG2-CG2 3.81Å; T119-P381 HydrophobicContact CG2-CG 4.04Å |
| 120 | T | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 16% | 0.158 | C | C | . | . | P | Polyproline II helix | trans | -81.1 | 159.4 | -179.9 | 78.5 | 0 | 0 | 0 | 0 | 112.1 | L92 L114 A122 E123 V124 R151 | L92-T120 CarbonylContact O-C 3.54Å; L92-T120 WeakPolarHBondContact O-CA 3.22Å; L114-T120 HydrophobicContact CD2-CG2 3.84Å; T120-A122 PolarHBondContact O-N 3.17Å; T120-A122 PolarHBondContact OG1-N 2.9Å; T120-E123 PolarHBondContact N-OE2 3.07Å; T120-E123 PolarHBondContact O-N 3.19Å; T120-E123 VanDerWaalsContact O-N 3.13Å; T120-E123 WeakPolarHBondContact OG1-CG 3.25Å; T120-E123 PolarHBondContact OG1-N 2.86Å; T120-E123 VanDerWaalsContact OG1-N 3.1Å; T120-V124 PolarHBondContact O-N 3.45Å; T120-V124 VanDerWaalsContact O-N 3.07Å; T120-R151 HydrophobicContact CG2-CB 4.13Å; T120-R151 PolarHBondContact OG1-O 3.4Å |
| 121 | L | 98.9 | Very high | 98.2 | Very high | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -55.4 | -37.8 | 172.3 | -179.9 | 58.7 | 0 | 0 | 0 | 111.4 | I40 L92 V124 L125 I368 F369 V372 V373 | I40-L121 HydrophobicContact CD1-CD2 3.72Å; L92-L121 HydrophobicContact CD2-CB 4.48Å; L92-L121 PolarHBondContact O-N 2.9Å; L121-V124 PolarHBondContact O-N 3.34Å; L121-L125 HydrophobicContact CD1-CD1 4.35Å; L121-L125 HydrophobicContact CD1-CG 4.24Å; L121-L125 HydrophobicContact CG-CD1 4.39Å; L121-L125 WeakPolarHBondContact O-CG 3.34Å; L121-L125 PolarHBondContact O-N 2.68Å; L121-I368 HydrophobicContact CD2-CG2 4.45Å; L121-F369 HydrophobicContact CB-CD2 3.77Å; L121-F369 HydrophobicContact CB-CE2 4.06Å; L121-F369 HydrophobicContact CD1-CD2 4.22Å; L121-V372 HydrophobicContact CD1-CB 4.07Å; L121-V372 HydrophobicContact CD1-CG1 3.89Å; L121-V372 HydrophobicContact CD2-CB 4.3Å; L121-V372 HydrophobicContact CD2-CG1 4.21Å; L121-V372 HydrophobicContact CG-CG1 4.45Å; L121-V373 HydrophobicContact CD1-CG2 3.85Å |
| 122 | A | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -65.8 | -43 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | T120 V124 L125 Q126 T132 G152 F153 L242 | T120-A122 PolarHBondContact O-N 3.17Å; T120-A122 PolarHBondContact OG1-N 2.9Å; A122-V124 PolarHBondContact O-N 2.9Å; A122-L125 PolarHBondContact O-N 2.77Å; A122-Q126 WeakPolarHBondContact O-CB 3.45Å; A122-Q126 PolarHBondContact O-N 2.83Å; A122-T132 HydrophobicContact CB-CG2 4.42Å; A122-G152 WeakPolarHBondContact CB-O 3.4Å; A122-F153 HydrophobicContact CB-CD1 3.81Å; A122-F153 HydrophobicContact CB-CD2 4.04Å; A122-F153 HydrophobicContact CB-CE1 3.62Å; A122-F153 HydrophobicContact CB-CE2 3.85Å; A122-F153 HydrophobicContact CB-CG 4.03Å; A122-F153 HydrophobicContact CB-CZ 3.65Å; A122-L242 HydrophobicContact CB-CD2 4.13Å |
| 123 | E | 98.8 | Very high | 98.4 | Very high | 37 Ų | 37 | 27.6 Ų | 27.6 | 17% | 0.173 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.6 | -43.5 | 175.4 | -69.2 | 171.4 | 133.9 | 0 | 0 | 111.6 | T119 T120 L125 Q126 Q127 R151 | T119-E123 VanDerWaalsContact CA-OE2 3.29Å; T119-E123 WeakPolarHBondContact CA-OE2 3.39Å; T119-E123 HydrophobicContact CG2-CB 3.95Å; T120-E123 PolarHBondContact N-OE2 3.07Å; T120-E123 PolarHBondContact O-N 3.19Å; T120-E123 VanDerWaalsContact O-N 3.13Å; T120-E123 WeakPolarHBondContact OG1-CG 3.25Å; T120-E123 PolarHBondContact OG1-N 2.86Å; T120-E123 VanDerWaalsContact OG1-N 3.1Å; E123-L125 PolarHBondContact O-N 2.9Å; E123-Q126 PolarHBondContact O-N 3.38Å; E123-Q127 VanDerWaalsContact O-CG 3.31Å; E123-Q127 WeakPolarHBondContact O-CG 3.4Å; E123-Q127 PolarHBondContact O-N 3.12Å; E123-R151 IonicContact OE1-NH1 2.74Å |
| 124 | V | 98.8 | Very high | 98.4 | Very high | 8 Ų | 8 | 27.6 Ų | 27.6 | 5% | 0.048 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.3 | -45.3 | 176.8 | 178.7 | 0 | 0 | 0 | 0 | 111.3 | T119 T120 L121 A122 A128 F369 V373 A378 P381 | T119-V124 HydrophobicContact CG2-CG2 3.81Å; T120-V124 PolarHBondContact O-N 3.45Å; T120-V124 VanDerWaalsContact O-N 3.07Å; L121-V124 PolarHBondContact O-N 3.34Å; A122-V124 PolarHBondContact O-N 2.9Å; V124-A128 WeakPolarHBondContact O-CB 3.19Å; V124-A128 PolarHBondContact O-N 2.81Å; V124-A128 VanDerWaalsContact O-N 3.09Å; V124-F369 HydrophobicContact CG2-CZ 3.94Å; V124-V373 HydrophobicContact CB-CG2 4.38Å; V124-V373 HydrophobicContact CG1-CG1 4.22Å; V124-V373 HydrophobicContact CG1-CG2 3.77Å; V124-A378 HydrophobicContact CG1-CB 4Å; V124-P381 HydrophobicContact CG2-CG 3.95Å |
| 125 | L | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -73.3 | -36.5 | -179 | -69.1 | -172.5 | 0 | 0 | 0 | 112.9 | F38 L121 A122 E123 Q127 A128 G129 Y130 T132 L242 V372 A376 | F38-L125 HydrophobicContact CD2-CD1 3.92Å; F38-L125 HydrophobicContact CE2-CD1 4.33Å; F38-L125 HydrophobicContact CE2-CD2 4.42Å; L121-L125 HydrophobicContact CD1-CD1 4.35Å; L121-L125 HydrophobicContact CD1-CG 4.24Å; L121-L125 HydrophobicContact CG-CD1 4.39Å; L121-L125 WeakPolarHBondContact O-CG 3.34Å; L121-L125 PolarHBondContact O-N 2.68Å; A122-L125 PolarHBondContact O-N 2.77Å; E123-L125 PolarHBondContact O-N 2.9Å; L125-Q127 VanDerWaalsContact C-N 3.32Å; L125-Q127 PolarHBondContact O-N 3.01Å; L125-A128 CarbonylContact O-C 3.49Å; L125-A128 WeakPolarHBondContact O-CA 3.38Å; L125-A128 WeakPolarHBondContact O-CB 3.35Å; L125-A128 PolarHBondContact O-N 3.4Å; L125-G129 PolarHBondContact O-N 2.71Å; L125-G129 VanDerWaalsContact O-N 3.16Å; L125-Y130 HydrophobicContact CB-CD1 4.47Å; L125-Y130 HydrophobicContact CB-CD2 4.1Å; L125-Y130 HydrophobicContact CB-CG 3.92Å; L125-Y130 HydrophobicContact CD1-CD1 4.33Å; L125-Y130 HydrophobicContact CD2-CD2 4.15Å; L125-Y130 HydrophobicContact CD2-CE2 4.08Å; L125-Y130 VanDerWaalsContact O-CB 3.28Å; L125-Y130 WeakPolarHBondContact O-CB 3.19Å; L125-Y130 WeakPolarHBondContact O-CD2 3.29Å; L125-Y130 PolarHBondContact O-N 3.26Å; L125-T132 HydrophobicContact CB-CG2 4.49Å; L125-L242 HydrophobicContact CD1-CB 3.77Å; L125-L242 HydrophobicContact CD1-CD1 4.15Å; L125-L242 HydrophobicContact CD1-CD2 3.89Å; L125-L242 HydrophobicContact CD1-CG 4.11Å; L125-V372 HydrophobicContact CD1-CG1 3.76Å; L125-V372 HydrophobicContact CD2-CG1 4.39Å; L125-A376 HydrophobicContact CD2-CB 3.31Å |
| 126 | Q | 98.2 | Very high | 98.4 | Very high | 80 Ų | 80 | 27.2 Ų | 27.2 | 37% | 0.374 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -58.2 | -46.8 | 174 | -171 | -172.1 | 60 | 0 | 0 | 110 | A122 E123 A128 G129 T132 D154 | A122-Q126 WeakPolarHBondContact O-CB 3.45Å; A122-Q126 PolarHBondContact O-N 2.83Å; E123-Q126 PolarHBondContact O-N 3.38Å; Q126-A128 PolarHBondContact O-N 3.28Å; Q126-G129 PolarHBondContact O-N 2.97Å; Q126-T132 HydrophobicContact CB-CG2 4.15Å; Q126-D154 PolarHBondContact NE2-OD1 3.05Å |
| 127 | Q | 98 | Very high | 98.5 | Very high | 163 Ų | 163 | 23.4 Ų | 23.4 | 76% | 0.762 | 13% | 0.129 | S | C | * | . | H | α-helix | trans | -61.3 | -31.6 | 173 | -70.1 | 176.1 | 14 | 0 | 0 | 112.8 | E123 L125 G129 | E123-Q127 VanDerWaalsContact O-CG 3.31Å; E123-Q127 WeakPolarHBondContact O-CG 3.4Å; E123-Q127 PolarHBondContact O-N 3.12Å; L125-Q127 VanDerWaalsContact C-N 3.32Å; L125-Q127 PolarHBondContact O-N 3.01Å; Q127-G129 PolarHBondContact O-N 3.39Å |
| 128 | A | 97.9 | Very high | 98.6 | Very high | 23 Ų | 23 | 19.8 Ų | 19.8 | 19% | 0.19 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | 3.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | K35 V124 L125 Q126 Y130 A378 | K35-A128 PolarHBondContact NZ-O 2.92Å; V124-A128 WeakPolarHBondContact O-CB 3.19Å; V124-A128 PolarHBondContact O-N 2.81Å; V124-A128 VanDerWaalsContact O-N 3.09Å; L125-A128 CarbonylContact O-C 3.49Å; L125-A128 WeakPolarHBondContact O-CA 3.38Å; L125-A128 WeakPolarHBondContact O-CB 3.35Å; L125-A128 PolarHBondContact O-N 3.4Å; Q126-A128 PolarHBondContact O-N 3.28Å; A128-Y130 HydrophobicContact CB-CD2 4.12Å; A128-Y130 HydrophobicContact CB-CE2 4.32Å; A128-A378 HydrophobicContact CB-CB 3.93Å |
| 129 | G | 97.4 | Very high | 98.6 | Very high | 37 Ų | 37 | 19.8 Ų | 19.8 | 38% | 0.381 | 11% | 0.11 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 93 | 15.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | L125 Q126 Q127 | L125-G129 PolarHBondContact O-N 2.71Å; L125-G129 VanDerWaalsContact O-N 3.16Å; Q126-G129 PolarHBondContact O-N 2.97Å; Q127-G129 PolarHBondContact O-N 3.39Å |
| 130 | Y | 98.6 | Very high | 98.6 | Very high | 2 Ų | 2 | 18 Ų | 18 | 1% | 0.008 | 10% | 0.099 | C | C | . | . | trans | -80.7 | 151.4 | 177.6 | -74.7 | -115.1 | 0 | 0 | 0 | 111.9 | K35 P36 F38 L125 A128 P240 A376 | K35-Y130 HydrophobicContact CD-CE2 3.91Å; P36-Y130 WeakPolarHBondContact O-CE1 3.39Å; P36-Y130 PolarHBondContact O-OH 2.96Å; F38-Y130 HydrophobicContact CD2-CD1 4.3Å; F38-Y130 AromaticContact CD2-CE1 3.52Å; F38-Y130 HydrophobicContact CD2-CE1 3.52Å; F38-Y130 AromaticContact CE2-CE1 3.52Å; F38-Y130 HydrophobicContact CE2-CE1 3.52Å; F38-Y130 AromaticContact CE2-CZ 3.62Å; F38-Y130 VanDerWaalsContact CE2-OH 3.29Å; F38-Y130 WeakPolarHBondContact CE2-OH 3.35Å; L125-Y130 HydrophobicContact CB-CD1 4.47Å; L125-Y130 HydrophobicContact CB-CD2 4.1Å; L125-Y130 HydrophobicContact CB-CG 3.92Å; L125-Y130 HydrophobicContact CD1-CD1 4.33Å; L125-Y130 HydrophobicContact CD2-CD2 4.15Å; L125-Y130 HydrophobicContact CD2-CE2 4.08Å; L125-Y130 VanDerWaalsContact O-CB 3.28Å; L125-Y130 WeakPolarHBondContact O-CB 3.19Å; L125-Y130 WeakPolarHBondContact O-CD2 3.29Å; L125-Y130 PolarHBondContact O-N 3.26Å; A128-Y130 HydrophobicContact CB-CD2 4.12Å; A128-Y130 HydrophobicContact CB-CE2 4.32Å; Y130-P240 VanDerWaalsContact CA-O 3.3Å; Y130-P240 WeakPolarHBondContact CA-O 3.43Å; Y130-P240 HydrophobicContact CD1-CB 3.86Å; Y130-P240 HydrophobicContact CD1-CG 4.03Å; Y130-P240 HydrophobicContact CD2-CG 3.89Å; Y130-P240 HydrophobicContact CE1-CB 3.58Å; Y130-P240 HydrophobicContact CE1-CG 4Å; Y130-P240 HydrophobicContact CE2-CB 4.29Å; Y130-P240 HydrophobicContact CE2-CG 3.86Å; Y130-P240 HydrophobicContact CG-CB 4.3Å; Y130-P240 HydrophobicContact CG-CG 3.95Å; Y130-A376 HydrophobicContact CE2-CB 3.87Å | ||
| 131 | I | 98.6 | Very high | 98.6 | Very high | 22 Ų | 22 | 18 Ų | 18 | 11% | 0.113 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 127.8 | 158.1 | -58.7 | 178.4 | 0 | 0 | 0 | 107.8 | D154 F230 A234 S237 R239 P240 F241 L242 | I131-D154 WeakPolarHBondContact CA-OD2 3.17Å; I131-F230 HydrophobicContact CG2-CE2 3.86Å; I131-F230 HydrophobicContact CG2-CZ 3.86Å; I131-A234 HydrophobicContact CD1-CB 4.37Å; I131-S237 WeakPolarHBondContact CD1-OG 3.43Å; I131-R239 HydrophobicContact CD1-CB 4.12Å; I131-R239 HydrophobicContact CG1-CB 4.08Å; I131-R239 VanDerWaalsContact CG1-CZ 3.4Å; I131-R239 VanDerWaalsContact CG1-NH2 3.34Å; I131-P240 PolarHBondContact N-O 3.01Å; I131-F241 HydrophobicContact CB-CB 4.32Å; I131-F241 CarbonylContact O-C 3.53Å; I131-F241 WeakPolarHBondContact O-CA 3.2Å; I131-F241 WeakPolarHBondContact O-CB 3.41Å; I131-L242 PolarHBondContact O-N 3.04Å |
| 132 | T | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 129.4 | -175.6 | 56.4 | 0 | 0 | 0 | 0 | 111.2 | A122 L125 Q126 G152 F153 D154 Y155 L242 | A122-T132 HydrophobicContact CB-CG2 4.42Å; L125-T132 HydrophobicContact CB-CG2 4.49Å; Q126-T132 HydrophobicContact CB-CG2 4.15Å; T132-G152 WeakPolarHBondContact CB-O 3.37Å; T132-G152 PolarHBondContact OG1-O 2.7Å; T132-F153 WeakPolarHBondContact OG1-CA 3.45Å; T132-D154 PolarHBondContact N-OD2 2.98Å; T132-D154 WeakPolarHBondContact O-CA 3.39Å; T132-D154 WeakPolarHBondContact O-CB 3.39Å; T132-D154 PolarHBondContact O-N 3.08Å; T132-D154 PolarHBondContact OG1-N 2.9Å; T132-D154 PolarHBondContact OG1-OD2 3.24Å; T132-Y155 PolarHBondContact O-N 3.23Å; T132-L242 CarbonylContact C-O 3.54Å; T132-L242 WeakPolarHBondContact CA-O 3.4Å; T132-L242 HydrophobicContact CG2-CB 4.27Å; T132-L242 HydrophobicContact CG2-CD2 4.4Å |
| 133 | G | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 142.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y155 F230 L242 L243 Y244 | G133-Y155 CarbonylContact C-O 3.54Å; G133-Y155 WeakPolarHBondContact CA-O 3.27Å; G133-F230 VanDerWaalsContact CA-CE2 3.48Å; G133-L242 PolarHBondContact N-O 2.76Å; G133-L243 WeakPolarHBondContact O-CA 3.39Å; G133-Y244 PolarHBondContact O-N 3Å |
| 134 | M | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 129.8 | 170.8 | 177.9 | 170.7 | 176.8 | 0 | 0 | 110.7 | K137 W138 P148 F153 Y155 Y156 F157 Y244 A246 | M134-K137 VanDerWaalsContact CE-C 3.46Å; M134-K137 WeakPolarHBondContact CE-O 3.4Å; M134-W138 HydrophobicContact CE-CB 4.02Å; M134-W138 HydrophobicContact CE-CE3 3.74Å; M134-W138 HydrophobicContact SD-CD2 4.42Å; M134-W138 HydrophobicContact SD-CE3 3.51Å; M134-W138 VanDerWaalsContact SD-CE3 3.51Å; M134-W138 HydrophobicContact SD-CZ3 4Å; M134-P148 HydrophobicContact SD-CB 4.21Å; M134-P148 HydrophobicContact SD-CG 4.23Å; M134-F153 HydrophobicContact CB-CB 4.37Å; M134-F153 HydrophobicContact CB-CD1 3.64Å; M134-F153 HydrophobicContact CB-CD2 4.12Å; M134-F153 HydrophobicContact CB-CE1 3.83Å; M134-F153 HydrophobicContact CB-CE2 4.3Å; M134-F153 HydrophobicContact CB-CG 3.78Å; M134-F153 HydrophobicContact CB-CZ 4.15Å; M134-F153 HydrophobicContact SD-CD2 4.32Å; M134-F153 HydrophobicContact SD-CE2 4.02Å; M134-F153 HydrophobicContact SD-CZ 4.33Å; M134-Y155 PolarHBondContact N-O 3.46Å; M134-Y156 HydrophobicContact CB-CD2 4.06Å; M134-Y156 HydrophobicContact CE-CE2 4.3Å; M134-Y156 HydrophobicContact CG-CD2 3.93Å; M134-Y156 HydrophobicContact CG-CE2 4.23Å; M134-Y156 WeakPolarHBondContact O-CA 3.17Å; M134-Y156 HydrophobicContact SD-CD2 4.27Å; M134-Y156 HydrophobicContact SD-CE2 4.28Å; M134-F157 PolarHBondContact O-N 2.88Å; M134-Y244 CarbonylContact C-O 3.56Å; M134-Y244 VanDerWaalsContact CA-O 3.29Å; M134-Y244 WeakPolarHBondContact CA-O 3.34Å; M134-Y244 HydrophobicContact CE-CD1 4.1Å; M134-Y244 HydrophobicContact CE-CE1 3.87Å; M134-Y244 HydrophobicContact CG-CD1 3.92Å; M134-Y244 HydrophobicContact SD-CD1 3.85Å; M134-Y244 HydrophobicContact SD-CE1 4.1Å; M134-A246 HydrophobicContact CE-CB 3.94Å |
| 135 | I | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 125.7 | 173.8 | -52.4 | -65.2 | 0 | 0 | 0 | 108.8 | Y155 F157 Y223 K226 A227 L243 Y244 V245 A246 | I135-Y155 HydrophobicContact CD1-CD1 4.07Å; I135-Y155 HydrophobicContact CD1-CE1 3.63Å; I135-F157 CarbonylContact C-O 3.47Å; I135-F157 VanDerWaalsContact CA-O 3.26Å; I135-F157 WeakPolarHBondContact CA-O 3.21Å; I135-F157 HydrophobicContact CD1-CB 3.87Å; I135-Y223 HydrophobicContact CG2-CD1 3.68Å; I135-Y223 HydrophobicContact CG2-CE1 4.46Å; I135-Y223 HydrophobicContact CG2-CG 3.82Å; I135-K226 HydrophobicContact CD1-CB 3.8Å; I135-A227 HydrophobicContact CG1-CB 4.29Å; I135-L243 HydrophobicContact CG1-CD1 3.81Å; I135-Y244 PolarHBondContact N-O 3.08Å; I135-V245 HydrophobicContact CB-CG1 4.46Å; I135-V245 CarbonylContact O-C 3.54Å; I135-V245 WeakPolarHBondContact O-CA 3.48Å; I135-A246 PolarHBondContact O-N 2.85Å |
| 136 | G | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 101.4 | -149.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | W138 Y156 F157 G158 I159 Y223 A246 | G136-W138 PolarHBondContact O-N 2.71Å; G136-Y156 WeakPolarHBondContact O-CE2 3.24Å; G136-F157 PolarHBondContact N-O 2.79Å; G136-G158 WeakPolarHBondContact O-CA 3.48Å; G136-I159 PolarHBondContact O-N 3.17Å; G136-Y223 VanDerWaalsContact CA-CZ 3.49Å; G136-A246 CarbonylContact C-O 3.55Å; G136-A246 WeakPolarHBondContact CA-O 3.09Å |
| 137 | K | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 14% | 0.142 | C | C | . | . | trans | -70.6 | 122.9 | -166.9 | 175.4 | -179.7 | 170.3 | -175.7 | 0 | 113.2 | D44 C84 R88 M134 H139 I159 S162 A246 | D44-K137 IonicContact OD1-NZ 2.75Å; D44-K137 PolarHBondContact OD1-NZ 3.36Å; D44-K137 WeakPolarHBondContact OD2-CD 3.45Å; D44-K137 WeakPolarHBondContact OD2-CE 3.26Å; D44-K137 IonicContact OD2-NZ 2.74Å; D44-K137 PolarHBondContact OD2-NZ 3.07Å; C84-K137 PolarHBondContact SG-NZ 3.47Å; C84-K137 VanDerWaalsContact SG-NZ 3.38Å; R88-K137 PolarHBondContact NH1-O 2.95Å; M134-K137 VanDerWaalsContact CE-C 3.46Å; M134-K137 WeakPolarHBondContact CE-O 3.4Å; K137-H139 WeakPolarHBondContact CE-ND1 3.34Å; K137-H139 HydrophobicContact CG-CB 4.11Å; K137-I159 WeakPolarHBondContact CA-O 3.47Å; K137-I159 HydrophobicContact CB-CD1 4.34Å; K137-I159 HydrophobicContact CB-CG1 4.02Å; K137-S162 WeakPolarHBondContact CE-OG 3.19Å; K137-S162 PolarHBondContact NZ-OG 3.44Å; K137-A246 PolarHBondContact N-O 2.85Å; K137-A246 WeakPolarHBondContact O-CB 3.43Å | ||
| 138 | W | 98.8 | Very high | 98 | Very high | 2 Ų | 2 | 16.1 Ų | 16.1 | 1% | 0.008 | 11% | 0.106 | C | C | . | . | trans | -81.7 | -70.1 | 175.2 | 178.9 | -131.6 | 0 | 0 | 0 | 113.7 | L92 M134 G136 L140 G141 Y146 P148 R151 F153 I159 | L92-W138 HydrophobicContact CD1-CE3 4.42Å; L92-W138 HydrophobicContact CD1-CH2 3.81Å; L92-W138 HydrophobicContact CD1-CZ3 3.38Å; M134-W138 HydrophobicContact CE-CB 4.02Å; M134-W138 HydrophobicContact CE-CE3 3.74Å; M134-W138 HydrophobicContact SD-CD2 4.42Å; M134-W138 HydrophobicContact SD-CE3 3.51Å; M134-W138 VanDerWaalsContact SD-CE3 3.51Å; M134-W138 HydrophobicContact SD-CZ3 4Å; G136-W138 PolarHBondContact O-N 2.71Å; W138-L140 VanDerWaalsContact C-N 3.35Å; W138-L140 HydrophobicContact CD2-CB 3.99Å; W138-L140 HydrophobicContact CE3-CB 4.48Å; W138-L140 HydrophobicContact CE3-CD1 4.18Å; W138-L140 HydrophobicContact CH2-CB 4.18Å; W138-L140 HydrophobicContact CH2-CD1 3.67Å; W138-L140 HydrophobicContact CZ2-CB 3.61Å; W138-L140 HydrophobicContact CZ2-CD1 4Å; W138-L140 HydrophobicContact CZ2-CG 4.4Å; W138-L140 HydrophobicContact CZ3-CD1 3.78Å; W138-L140 PolarHBondContact O-N 2.89Å; W138-G141 PolarHBondContact NE1-O 3.22Å; W138-Y146 PolarHBondContact NE1-O 2.86Å; W138-P148 HydrophobicContact CB-CG 3.95Å; W138-P148 HydrophobicContact CD2-CG 3.65Å; W138-P148 HydrophobicContact CE3-CG 4.11Å; W138-P148 HydrophobicContact CG-CG 3.58Å; W138-R151 HydrophobicContact CH2-CB 4.17Å; W138-R151 HydrophobicContact CH2-CG 4.47Å; W138-R151 HydrophobicContact CZ2-CB 4.17Å; W138-R151 HydrophobicContact CZ2-CG 3.99Å; W138-F153 HydrophobicContact CZ3-CE2 4.03Å; W138-I159 PolarHBondContact N-O 3.37Å | ||
| 139 | H | 98.6 | Very high | 98.1 | Very high | 2 Ų | 2 | 16.6 Ų | 16.6 | 1% | 0.009 | 11% | 0.106 | C | C | . | . | trans | 60.4 | 32.3 | 176.9 | -150.5 | 178.8 | 0 | 0 | 0 | 115.5 | C84 S85 F106 K137 P160 S162 | C84-H139 VanDerWaalsContact CB-ND1 3.34Å; C84-H139 WeakPolarHBondContact CB-ND1 3.49Å; S85-H139 WeakPolarHBondContact CB-O 3.38Å; S85-H139 PolarHBondContact OG-CD2 2.88Å; S85-H139 PolarHBondContact OG-NE2 2.92Å; S85-H139 PolarHBondContact OG-O 3.4Å; F106-H139 PolarHBondContact O-NE2 2.9Å; K137-H139 WeakPolarHBondContact CE-ND1 3.34Å; K137-H139 HydrophobicContact CG-CB 4.11Å; H139-P160 WeakPolarHBondContact CA-O 3.47Å; H139-P160 PolarHBondContact N-O 3.22Å; H139-S162 PolarHBondContact CE1-OG 3.34Å | ||
| 140 | L | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.11 | C | C | . | . | S | Bend | trans | -128 | 35.6 | 177.7 | -67.8 | 176 | 0 | 0 | 0 | 112.5 | S85 R88 A89 L92 V102 F106 G113 L114 W138 | S85-L140 VanDerWaalsContact O-CD2 3.29Å; S85-L140 WeakPolarHBondContact O-CD2 3.12Å; R88-L140 HydrophobicContact CB-CD1 4.26Å; R88-L140 HydrophobicContact CB-CD2 4.33Å; R88-L140 HydrophobicContact CB-CG 4.33Å; A89-L140 HydrophobicContact CB-CD2 3.71Å; L92-L140 HydrophobicContact CD1-CD1 3.66Å; V102-L140 HydrophobicContact CG1-CD2 4.44Å; F106-L140 HydrophobicContact CE2-CD2 4.44Å; G113-L140 CarbonylContact C-O 3.59Å; G113-L140 WeakPolarHBondContact CA-O 3.38Å; L114-L140 HydrophobicContact CB-CB 4.1Å; L114-L140 HydrophobicContact CD2-CD1 4.43Å; L114-L140 PolarHBondContact N-O 2.92Å; W138-L140 VanDerWaalsContact C-N 3.35Å; W138-L140 HydrophobicContact CD2-CB 3.99Å; W138-L140 HydrophobicContact CE3-CB 4.48Å; W138-L140 HydrophobicContact CE3-CD1 4.18Å; W138-L140 HydrophobicContact CH2-CB 4.18Å; W138-L140 HydrophobicContact CH2-CD1 3.67Å; W138-L140 HydrophobicContact CZ2-CB 3.61Å; W138-L140 HydrophobicContact CZ2-CD1 4Å; W138-L140 HydrophobicContact CZ2-CG 4.4Å; W138-L140 HydrophobicContact CZ3-CD1 3.78Å; W138-L140 PolarHBondContact O-N 2.89Å |
| 141 | G | 97.3 | Very high | 98.1 | Very high | 2 Ų | 2 | 20.1 Ų | 20.1 | 2% | 0.021 | 11% | 0.111 | C | C | . | . | trans | 82 | 132.1 | -171.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | G112 W138 Y146 | G112-G141 WeakPolarHBondContact O-CA 3.39Å; W138-G141 PolarHBondContact NE1-O 3.22Å; G141-Y146 CarbonylContact O-C 3.57Å; G141-Y146 WeakPolarHBondContact O-CB 3.46Å | ||
| 142 | H | 95.3 | Very high | 98.1 | Very high | 11 Ų | 11 | 19.2 Ų | 19.2 | 5% | 0.051 | 11% | 0.107 | C | C | . | . | trans | -109.9 | -16.5 | -171.8 | 58.9 | -75.1 | 0 | 0 | 0 | 113.5 | V108 P160 V509 | V108-H142 PolarHBondContact O-CE1 3.36Å; V108-H142 PolarHBondContact O-NE2 3.49Å; V108-H142 VanDerWaalsContact O-NE2 3.15Å; H142-P160 HydrophobicContact CB-CB 3.53Å; H142-V509 PolarHBondContact NE2-O 2.9Å | ||
| 143 | H | 96.1 | Very high | 98.1 | Very high | 82 Ų | 82 | 19.3 Ų | 19.3 | 38% | 0.38 | 11% | 0.108 | S | C | . | . | S | Bend | trans | -81.9 | 138 | -172.9 | -173.7 | 62 | 0 | 0 | 0 | 112.4 | S145 Y146 V509 | H143-S145 PolarHBondContact O-N 3.5Å; H143-Y146 WeakPolarHBondContact O-CB 3.23Å; H143-Y146 VanDerWaalsContact O-CD2 3.27Å; H143-Y146 WeakPolarHBondContact O-CD2 3.42Å; H143-Y146 PolarHBondContact O-N 3.22Å; H143-V509 HydrophobicContact CB-CB 4.13Å |
| 144 | G | 95.7 | Very high | 98.1 | Very high | 40 Ų | 40 | 22.7 Ų | 22.7 | 41% | 0.412 | 13% | 0.125 | S | C | . | . | G | 310 helix | trans | 50.3 | -127.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y146 H147 F150 | G144-Y146 PolarHBondContact O-N 3.44Å; G144-Y146 VanDerWaalsContact O-N 3.08Å; G144-H147 WeakPolarHBondContact O-CB 3.46Å; G144-H147 PolarHBondContact O-N 2.83Å; G144-H147 VanDerWaalsContact O-N 3.17Å; G144-F150 WeakPolarHBondContact O-CD2 3.44Å |
| 145 | S | 97.3 | Very high | 98.1 | Very high | 65 Ų | 65 | 24.6 Ų | 24.6 | 46% | 0.455 | 13% | 0.133 | S | C | . | . | G | 310 helix | trans | -64.6 | -9.2 | -177.5 | -53.6 | 0 | 0 | 0 | 0 | 115.1 | L116 H143 H147 F150 R151 | L116-S145 WeakPolarHBondContact CD2-O 3.18Å; H143-S145 PolarHBondContact O-N 3.5Å; S145-H147 VanDerWaalsContact C-N 3.34Å; S145-F150 WeakPolarHBondContact O-CB 3.37Å; S145-R151 WeakPolarHBondContact O-CD 3.47Å |
| 146 | Y | 98.3 | Very high | 98.1 | Very high | 40 Ų | 40 | 24.6 Ų | 24.6 | 16% | 0.157 | 13% | 0.133 | C | C | . | . | G | 310 helix | trans | -83.5 | -12 | 176.6 | -58.3 | -72.4 | 0 | 0 | 0 | 112.9 | V111 G112 G113 L114 L116 W138 G141 H143 G144 | V111-Y146 WeakPolarHBondContact O-CE2 3.45Å; G112-Y146 VanDerWaalsContact CA-CE2 3.44Å; G113-Y146 VanDerWaalsContact CA-CD1 3.45Å; L114-Y146 VanDerWaalsContact O-CD1 3.26Å; L114-Y146 WeakPolarHBondContact O-CD1 3.16Å; L114-Y146 WeakPolarHBondContact O-CE1 3.33Å; L116-Y146 HydrophobicContact CD2-CD1 3.65Å; L116-Y146 HydrophobicContact CD2-CE1 3.62Å; L116-Y146 HydrophobicContact CD2-CG 4.37Å; L116-Y146 HydrophobicContact CG-CD1 4.29Å; L116-Y146 HydrophobicContact CG-CE1 3.72Å; W138-Y146 PolarHBondContact NE1-O 2.86Å; G141-Y146 CarbonylContact O-C 3.57Å; G141-Y146 WeakPolarHBondContact O-CB 3.46Å; H143-Y146 WeakPolarHBondContact O-CB 3.23Å; H143-Y146 VanDerWaalsContact O-CD2 3.27Å; H143-Y146 WeakPolarHBondContact O-CD2 3.42Å; H143-Y146 PolarHBondContact O-N 3.22Å; G144-Y146 PolarHBondContact O-N 3.44Å; G144-Y146 VanDerWaalsContact O-N 3.08Å |
| 147 | H | 98.4 | Very high | 98.1 | Very high | 9 Ų | 9 | 25 Ų | 25 | 4% | 0.042 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -61.5 | 142.7 | 177.5 | -172.4 | -86 | 0 | 0 | 0 | 112.4 | G144 S145 N149 F150 Y156 Y204 N206 | G144-H147 WeakPolarHBondContact O-CB 3.46Å; G144-H147 PolarHBondContact O-N 2.83Å; G144-H147 VanDerWaalsContact O-N 3.17Å; S145-H147 VanDerWaalsContact C-N 3.34Å; H147-N149 VanDerWaalsContact C-N 3.27Å; H147-N149 PolarHBondContact CE1-OD1 2.72Å; H147-N149 PolarHBondContact ND1-N 2.6Å; H147-N149 PolarHBondContact ND1-OD1 2.97Å; H147-N149 PolarHBondContact O-N 2.66Å; H147-F150 HydrophobicContact CB-CD2 3.85Å; H147-F150 HydrophobicContact CB-CE2 4.2Å; H147-F150 PolarHBondContact O-N 3.29Å; H147-Y156 AromaticContact CE1-CD1 3.51Å; H147-Y156 AromaticContact NE2-CD1 3.66Å; H147-Y156 AromaticContact NE2-CE1 3.7Å; H147-Y204 AromaticContact NE2-CD1 3.72Å; H147-N206 PolarHBondContact CE1-O 2.66Å; H147-N206 PolarHBondContact NE2-O 2.9Å |
| 148 | P | 98.6 | Very high | 98.1 | Very high | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.006 | 14% | 0.135 | C | C | . | . | G | 310 helix | trans | -49.3 | -40 | -174.5 | -31.3 | 34.7 | 0 | 0 | 0 | 115.7 | M134 W138 F150 R151 F153 Y156 | M134-P148 HydrophobicContact SD-CB 4.21Å; M134-P148 HydrophobicContact SD-CG 4.23Å; W138-P148 HydrophobicContact CB-CG 3.95Å; W138-P148 HydrophobicContact CD2-CG 3.65Å; W138-P148 HydrophobicContact CE3-CG 4.11Å; W138-P148 HydrophobicContact CG-CG 3.58Å; P148-F150 PolarHBondContact O-N 3.43Å; P148-R151 CarbonylContact O-C 3.43Å; P148-R151 WeakPolarHBondContact O-CA 3.49Å; P148-R151 PolarHBondContact O-N 3Å; P148-F153 HydrophobicContact CB-CD2 4.12Å; P148-F153 PolarHBondContact O-N 3Å; P148-Y156 HydrophobicContact CB-CD1 4.33Å; P148-Y156 HydrophobicContact CB-CD2 4.01Å; P148-Y156 HydrophobicContact CB-CE2 4.48Å; P148-Y156 HydrophobicContact CB-CG 3.92Å; P148-Y156 HydrophobicContact CG-CD1 4.04Å; P148-Y156 HydrophobicContact CG-CD2 3.9Å; P148-Y156 HydrophobicContact CG-CE1 3.99Å; P148-Y156 HydrophobicContact CG-CE2 3.89Å; P148-Y156 HydrophobicContact CG-CG 3.98Å |
| 149 | N | 98.3 | Very high | 98.1 | Very high | 34 Ų | 34 | 24.9 Ų | 24.9 | 18% | 0.182 | 13% | 0.134 | C | C | . | . | G | 310 helix | trans | -64.3 | -20.8 | 179.3 | -66.7 | 112.4 | 0 | 0 | 0 | 114.4 | H147 F153 N206 L207 | H147-N149 VanDerWaalsContact C-N 3.27Å; H147-N149 PolarHBondContact CE1-OD1 2.72Å; H147-N149 PolarHBondContact ND1-N 2.6Å; H147-N149 PolarHBondContact ND1-OD1 2.97Å; H147-N149 PolarHBondContact O-N 2.66Å; N149-F153 WeakPolarHBondContact CA-O 3.48Å; N149-F153 PolarHBondContact ND2-O 3.31Å; N149-N206 PolarHBondContact ND2-OD1 3.39Å; N149-N206 VanDerWaalsContact OD1-CA 3.23Å; N149-N206 WeakPolarHBondContact OD1-CA 3.21Å; N149-L207 HydrophobicContact CB-CD2 4.11Å |
| 150 | F | 98.4 | Very high | 98 | Very high | 107 Ų | 107 | 25 Ų | 25 | 47% | 0.469 | 14% | 0.135 | S | C | . | . | G | 310 helix | trans | -95.5 | 3.7 | 173 | -55 | -61.9 | 0 | 0 | 0 | 112.7 | G144 S145 H147 P148 L207 | G144-F150 WeakPolarHBondContact O-CD2 3.44Å; S145-F150 WeakPolarHBondContact O-CB 3.37Å; H147-F150 HydrophobicContact CB-CD2 3.85Å; H147-F150 HydrophobicContact CB-CE2 4.2Å; H147-F150 PolarHBondContact O-N 3.29Å; P148-F150 PolarHBondContact O-N 3.43Å; F150-L207 HydrophobicContact CE2-CD2 3.85Å; F150-L207 HydrophobicContact CZ-CD1 4.15Å; F150-L207 HydrophobicContact CZ-CD2 3.93Å |
| 151 | R | 98.4 | Very high | 98 | Very high | 5 Ų | 5 | 25.1 Ų | 25.1 | 2% | 0.019 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -119.8 | 29.8 | -178.4 | -53.6 | -59.5 | -67.1 | 146.3 | -3.1 | 111.5 | P115 E118 T120 E123 W138 S145 P148 | P115-R151 PolarHBondContact O-NH2 2.78Å; P115-R151 VanDerWaalsContact O-NH2 3.13Å; E118-R151 PolarHBondContact O-NH2 3.46Å; T120-R151 HydrophobicContact CG2-CB 4.13Å; T120-R151 PolarHBondContact OG1-O 3.4Å; E123-R151 IonicContact OE1-NH1 2.74Å; W138-R151 HydrophobicContact CH2-CB 4.17Å; W138-R151 HydrophobicContact CH2-CG 4.47Å; W138-R151 HydrophobicContact CZ2-CB 4.17Å; W138-R151 HydrophobicContact CZ2-CG 3.99Å; S145-R151 WeakPolarHBondContact O-CD 3.47Å; P148-R151 CarbonylContact O-C 3.43Å; P148-R151 WeakPolarHBondContact O-CA 3.49Å; P148-R151 PolarHBondContact O-N 3Å |
| 152 | G | 98.4 | Very high | 98 | Very high | 4 Ų | 4 | 25.1 Ų | 25.1 | 4% | 0.041 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 95.4 | 1.6 | 170.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | A122 T132 | A122-G152 WeakPolarHBondContact CB-O 3.4Å; T132-G152 WeakPolarHBondContact CB-O 3.37Å; T132-G152 PolarHBondContact OG1-O 2.7Å |
| 153 | F | 98.8 | Very high | 98 | Very high | 2 Ų | 2 | 25 Ų | 25 | 1% | 0.009 | 13% | 0.134 | C | C | . | . | trans | -94 | 117.3 | 178 | -66.8 | -75.1 | 0 | 0 | 0 | 112.3 | L92 A122 T132 M134 W138 P148 N149 Y155 L242 Y244 | L92-F153 HydrophobicContact CD2-CZ 4.3Å; A122-F153 HydrophobicContact CB-CD1 3.81Å; A122-F153 HydrophobicContact CB-CD2 4.04Å; A122-F153 HydrophobicContact CB-CE1 3.62Å; A122-F153 HydrophobicContact CB-CE2 3.85Å; A122-F153 HydrophobicContact CB-CG 4.03Å; A122-F153 HydrophobicContact CB-CZ 3.65Å; T132-F153 WeakPolarHBondContact OG1-CA 3.45Å; M134-F153 HydrophobicContact CB-CB 4.37Å; M134-F153 HydrophobicContact CB-CD1 3.64Å; M134-F153 HydrophobicContact CB-CD2 4.12Å; M134-F153 HydrophobicContact CB-CE1 3.83Å; M134-F153 HydrophobicContact CB-CE2 4.3Å; M134-F153 HydrophobicContact CB-CG 3.78Å; M134-F153 HydrophobicContact CB-CZ 4.15Å; M134-F153 HydrophobicContact SD-CD2 4.32Å; M134-F153 HydrophobicContact SD-CE2 4.02Å; M134-F153 HydrophobicContact SD-CZ 4.33Å; W138-F153 HydrophobicContact CZ3-CE2 4.03Å; P148-F153 HydrophobicContact CB-CD2 4.12Å; P148-F153 PolarHBondContact O-N 3Å; N149-F153 WeakPolarHBondContact CA-O 3.48Å; N149-F153 PolarHBondContact ND2-O 3.31Å; F153-Y155 VanDerWaalsContact C-N 3.29Å; F153-Y155 PolarHBondContact O-N 3.13Å; F153-L242 HydrophobicContact CE1-CD2 4.2Å; F153-Y244 HydrophobicContact CE1-CD1 4.39Å; F153-Y244 AromaticContact CZ-CD1 3.8Å; F153-Y244 HydrophobicContact CZ-CD1 3.8Å; F153-Y244 HydrophobicContact CZ-CG 4.36Å | ||
| 154 | D | 98.7 | Very high | 98 | Very high | 70 Ų | 70 | 22.7 Ų | 22.7 | 37% | 0.374 | 13% | 0.125 | S | C | . | . | S | Bend | trans | -66.2 | -34.1 | 176 | -57.3 | -44.4 | 0 | 0 | 0 | 111.8 | Q126 I131 T132 | Q126-D154 PolarHBondContact NE2-OD1 3.05Å; I131-D154 WeakPolarHBondContact CA-OD2 3.17Å; T132-D154 PolarHBondContact N-OD2 2.98Å; T132-D154 WeakPolarHBondContact O-CA 3.39Å; T132-D154 WeakPolarHBondContact O-CB 3.39Å; T132-D154 PolarHBondContact O-N 3.08Å; T132-D154 PolarHBondContact OG1-N 2.9Å; T132-D154 PolarHBondContact OG1-OD2 3.24Å |
| 155 | Y | 98.9 | Very high | 97.9 | Very high | 41 Ų | 41 | 21.5 Ų | 21.5 | 16% | 0.161 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 136.6 | 178.3 | -177.7 | -112.4 | 0 | 0 | 0 | 111.6 | T132 G133 M134 I135 F153 F157 E205 N206 K226 F230 | T132-Y155 PolarHBondContact O-N 3.23Å; G133-Y155 CarbonylContact C-O 3.54Å; G133-Y155 WeakPolarHBondContact CA-O 3.27Å; M134-Y155 PolarHBondContact N-O 3.46Å; I135-Y155 HydrophobicContact CD1-CD1 4.07Å; I135-Y155 HydrophobicContact CD1-CE1 3.63Å; F153-Y155 VanDerWaalsContact C-N 3.29Å; F153-Y155 PolarHBondContact O-N 3.13Å; Y155-F157 HydrophobicContact CE1-CB 3.99Å; Y155-E205 HydrophobicContact CE2-CG 4.12Å; Y155-E205 WeakPolarHBondContact CE2-OE1 3.43Å; Y155-E205 PolarHBondContact OH-OE1 2.74Å; Y155-N206 WeakPolarHBondContact CA-OD1 3.46Å; Y155-K226 WeakPolarHBondContact OH-CD 3.46Å; Y155-F230 HydrophobicContact CD1-CD2 4.07Å; Y155-F230 HydrophobicContact CG-CD2 4.48Å |
| 156 | Y | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 133.8 | 172.7 | 174.2 | -124.8 | 0 | 0 | 0 | 111.2 | M134 G136 H147 P148 G158 I159 Y204 E205 N206 | M134-Y156 HydrophobicContact CB-CD2 4.06Å; M134-Y156 HydrophobicContact CE-CE2 4.3Å; M134-Y156 HydrophobicContact CG-CD2 3.93Å; M134-Y156 HydrophobicContact CG-CE2 4.23Å; M134-Y156 WeakPolarHBondContact O-CA 3.17Å; M134-Y156 HydrophobicContact SD-CD2 4.27Å; M134-Y156 HydrophobicContact SD-CE2 4.28Å; G136-Y156 WeakPolarHBondContact O-CE2 3.24Å; H147-Y156 AromaticContact CE1-CD1 3.51Å; H147-Y156 AromaticContact NE2-CD1 3.66Å; H147-Y156 AromaticContact NE2-CE1 3.7Å; P148-Y156 HydrophobicContact CB-CD1 4.33Å; P148-Y156 HydrophobicContact CB-CD2 4.01Å; P148-Y156 HydrophobicContact CB-CE2 4.48Å; P148-Y156 HydrophobicContact CB-CG 3.92Å; P148-Y156 HydrophobicContact CG-CD1 4.04Å; P148-Y156 HydrophobicContact CG-CD2 3.9Å; P148-Y156 HydrophobicContact CG-CE1 3.99Å; P148-Y156 HydrophobicContact CG-CE2 3.89Å; P148-Y156 HydrophobicContact CG-CG 3.98Å; Y156-G158 PolarHBondContact OH-O 3.28Å; Y156-I159 PolarHBondContact OH-N 3.07Å; Y156-I159 PolarHBondContact OH-O 3.08Å; Y156-Y204 HydrophobicContact CE1-CG 4.19Å; Y156-E205 CarbonylContact O-C 3.58Å; Y156-E205 WeakPolarHBondContact O-CA 3.43Å; Y156-N206 PolarHBondContact N-OD1 3.12Å; Y156-N206 PolarHBondContact O-N 3.32Å |
| 157 | F | 98.9 | Very high | 97.6 | Very high | 8 Ų | 8 | 17.1 Ų | 17.1 | 4% | 0.035 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 113.7 | 166.6 | -179.8 | -91.3 | 0 | 0 | 0 | 109.8 | M134 I135 G136 Y155 L203 Y204 E205 V210 K222 Y223 K226 | M134-F157 PolarHBondContact O-N 2.88Å; I135-F157 CarbonylContact C-O 3.47Å; I135-F157 VanDerWaalsContact CA-O 3.26Å; I135-F157 WeakPolarHBondContact CA-O 3.21Å; I135-F157 HydrophobicContact CD1-CB 3.87Å; G136-F157 PolarHBondContact N-O 2.79Å; Y155-F157 HydrophobicContact CE1-CB 3.99Å; F157-L203 HydrophobicContact CE1-CD1 4.12Å; F157-L203 HydrophobicContact CE1-CD2 4.31Å; F157-L203 HydrophobicContact CE2-CD2 4.24Å; F157-L203 HydrophobicContact CE2-CG 4.37Å; F157-L203 HydrophobicContact CZ-CD1 4.18Å; F157-L203 HydrophobicContact CZ-CD2 3.7Å; F157-L203 HydrophobicContact CZ-CG 4.14Å; F157-Y204 VanDerWaalsContact CA-O 3.29Å; F157-Y204 WeakPolarHBondContact CA-O 3.41Å; F157-E205 HydrophobicContact CD2-CB 3.97Å; F157-E205 HydrophobicContact CD2-CG 4.21Å; F157-V210 HydrophobicContact CE2-CG2 4.4Å; F157-K222 HydrophobicContact CE1-CB 3.89Å; F157-K222 HydrophobicContact CZ-CB 4.02Å; F157-K222 HydrophobicContact CZ-CD 4.5Å; F157-Y223 AromaticContact CD1-CD1 3.82Å; F157-Y223 HydrophobicContact CD1-CD1 3.82Å; F157-Y223 AromaticContact CD1-CE1 4Å; F157-Y223 HydrophobicContact CD1-CE1 4Å; F157-Y223 AromaticContact CE1-CD1 3.78Å; F157-Y223 HydrophobicContact CE1-CD1 3.78Å; F157-Y223 AromaticContact CE1-CE1 3.98Å; F157-Y223 HydrophobicContact CE1-CE1 3.98Å; F157-K226 HydrophobicContact CB-CB 4.41Å; F157-K226 HydrophobicContact CB-CG 4.33Å; F157-K226 HydrophobicContact CD1-CB 4.08Å; F157-K226 HydrophobicContact CD1-CG 3.67Å; F157-K226 HydrophobicContact CD2-CD 4.35Å; F157-K226 HydrophobicContact CD2-CG 4.01Å; F157-K226 HydrophobicContact CE1-CG 3.86Å; F157-K226 HydrophobicContact CE2-CG 4.18Å; F157-K226 HydrophobicContact CG-CB 4.25Å; F157-K226 HydrophobicContact CG-CD 4.46Å; F157-K226 HydrophobicContact CG-CG 3.74Å; F157-K226 HydrophobicContact CZ-CG 4.09Å |
| 158 | G | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 166.9 | -176.5 | -174.4 | 0 | 0 | 0 | 0 | 0 | 116 | G136 Y156 Y204 | G136-G158 WeakPolarHBondContact O-CA 3.48Å; Y156-G158 PolarHBondContact OH-O 3.28Å; G158-Y204 PolarHBondContact N-O 3.22Å; G158-Y204 PolarHBondContact O-N 3.03Å |
| 159 | I | 98.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.101 | C | C | . | . | trans | -94.8 | 137.1 | 179.3 | 59.7 | 178.5 | 0 | 0 | 0 | 110.3 | G136 K137 W138 Y156 Y161 H163 L201 L203 V214 A248 | G136-I159 PolarHBondContact O-N 3.17Å; K137-I159 WeakPolarHBondContact CA-O 3.47Å; K137-I159 HydrophobicContact CB-CD1 4.34Å; K137-I159 HydrophobicContact CB-CG1 4.02Å; W138-I159 PolarHBondContact N-O 3.37Å; Y156-I159 PolarHBondContact OH-N 3.07Å; Y156-I159 PolarHBondContact OH-O 3.08Å; I159-Y161 VanDerWaalsContact C-N 3.27Å; I159-Y161 VanDerWaalsContact CD1-O 3.3Å; I159-Y161 WeakPolarHBondContact CD1-O 3.47Å; I159-Y161 VanDerWaalsContact CG1-O 3.32Å; I159-Y161 WeakPolarHBondContact CG1-O 3.46Å; I159-Y161 PolarHBondContact O-N 2.72Å; I159-H163 HydrophobicContact CD1-CB 3.69Å; I159-L201 HydrophobicContact CB-CD1 4.49Å; I159-L201 HydrophobicContact CG2-CD2 4.16Å; I159-L201 HydrophobicContact CG2-CG 4.29Å; I159-L203 HydrophobicContact CG2-CD1 4.25Å; I159-V214 HydrophobicContact CG2-CG2 4.21Å; I159-A248 HydrophobicContact CD1-CB 4.11Å | ||
| 160 | P | 98.1 | Very high | 96.6 | Very high | 3 Ų | 3 | 21 Ų | 21 | 2% | 0.019 | 11% | 0.108 | C | C | . | . | S | Bend | trans | -69.8 | -21.9 | -174 | 25.2 | -33.4 | 0 | 0 | 0 | 114.3 | H139 H142 P202 Y204 | H139-P160 WeakPolarHBondContact CA-O 3.47Å; H139-P160 PolarHBondContact N-O 3.22Å; H142-P160 HydrophobicContact CB-CB 3.53Å; P160-P202 WeakPolarHBondContact CD-O 3.36Å; P160-P202 HydrophobicContact CG-CG 3.7Å; P160-Y204 HydrophobicContact CB-CE2 4.43Å; P160-Y204 HydrophobicContact CG-CD2 4.33Å; P160-Y204 HydrophobicContact CG-CE2 3.98Å |
| 161 | Y | 97.8 | Very high | 96 | Very high | 3 Ų | 3 | 17.3 Ų | 17.3 | 1% | 0.012 | 10% | 0.095 | C | C | . | . | S | Bend | trans | -150.7 | -177.7 | -175.8 | 36.8 | -111.6 | 0 | 0 | 0 | 109.8 | V108 I159 M165 L201 P202 P511 | V108-Y161 HydrophobicContact CB-CD1 4.49Å; V108-Y161 HydrophobicContact CB-CE1 3.97Å; V108-Y161 HydrophobicContact CG1-CD1 4.16Å; V108-Y161 HydrophobicContact CG1-CD2 4.07Å; V108-Y161 HydrophobicContact CG1-CE1 3.89Å; V108-Y161 HydrophobicContact CG1-CE2 3.76Å; V108-Y161 HydrophobicContact CG1-CG 4.25Å; I159-Y161 VanDerWaalsContact C-N 3.27Å; I159-Y161 VanDerWaalsContact CD1-O 3.3Å; I159-Y161 WeakPolarHBondContact CD1-O 3.47Å; I159-Y161 VanDerWaalsContact CG1-O 3.32Å; I159-Y161 WeakPolarHBondContact CG1-O 3.46Å; I159-Y161 PolarHBondContact O-N 2.72Å; Y161-M165 HydrophobicContact CD2-CB 3.72Å; Y161-M165 HydrophobicContact CE2-CB 4.17Å; Y161-M165 WeakPolarHBondContact CE2-O 3.18Å; Y161-M165 HydrophobicContact CG-CB 4.4Å; Y161-L201 HydrophobicContact CD2-CD1 3.95Å; Y161-L201 HydrophobicContact CE2-CD1 3.62Å; Y161-P202 WeakPolarHBondContact OH-CD 3.45Å; Y161-P511 HydrophobicContact CE1-CG 4.18Å |
| 162 | S | 97.4 | Very high | 95.6 | Very high | 2 Ų | 2 | 18 Ų | 18 | 1% | 0.014 | 10% | 0.103 | C | C | . | . | trans | -56.7 | 143.6 | 178.3 | -55.8 | 0 | 0 | 0 | 0 | 111.5 | K137 H139 D164 M165 | K137-S162 WeakPolarHBondContact CE-OG 3.19Å; K137-S162 PolarHBondContact NZ-OG 3.44Å; H139-S162 PolarHBondContact CE1-OG 3.34Å; S162-D164 WeakPolarHBondContact CB-OD1 3.4Å; S162-D164 PolarHBondContact O-N 3.11Å; S162-M165 VanDerWaalsContact O-CB 3.31Å; S162-M165 WeakPolarHBondContact O-CB 3.11Å; S162-M165 PolarHBondContact O-N 2.8Å | ||
| 163 | H | 95.8 | Very high | 95.3 | Very high | 8 Ų | 8 | 21.6 Ų | 21.6 | 4% | 0.037 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -3.9 | -175.9 | 59.6 | -74.5 | 0 | 0 | 0 | 114.8 | I159 M165 L201 L216 A248 H251 V252 P253 | I159-H163 HydrophobicContact CD1-CB 3.69Å; H163-M165 VanDerWaalsContact C-N 3.34Å; H163-L201 HydrophobicContact CB-CD2 3.41Å; H163-L201 VanDerWaalsContact CB-CD2 3.41Å; H163-L216 HydrophobicContact CB-CD2 4.07Å; H163-A248 PolarHBondContact CE1-O 2.84Å; H163-H251 PolarHBondContact CE1-O 2.93Å; H163-H251 PolarHBondContact NE2-O 2.81Å; H163-V252 PolarHBondContact NE2-O 3.09Å; H163-P253 VanDerWaalsContact CD2-CD 3.44Å; H163-P253 WeakPolarHBondContact CD2-CD 3.47Å; H163-P253 PolarHBondContact CD2-O 3.12Å; H163-P253 PolarHBondContact NE2-O 2.88Å |
| 164 | D | 94.8 | Very high | 95 | Very high | 34 Ų | 34 | 22.1 Ų | 22.1 | 18% | 0.182 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -11.3 | 165 | 66.3 | -35.5 | 0 | 0 | 0 | 113 | S162 G166 Y196 H251 | S162-D164 WeakPolarHBondContact CB-OD1 3.4Å; S162-D164 PolarHBondContact O-N 3.11Å; D164-G166 PolarHBondContact O-N 2.84Å; D164-G166 VanDerWaalsContact O-N 3.12Å; D164-Y196 VanDerWaalsContact O-CD2 3.26Å; D164-Y196 WeakPolarHBondContact O-CD2 3.37Å; D164-H251 VanDerWaalsContact CG-CE1 3.5Å; D164-H251 IonicContact OD1-CE1 3.17Å; D164-H251 PolarHBondContact OD1-CE1 3.27Å; D164-H251 VanDerWaalsContact OD1-CE1 3.23Å; D164-H251 IonicContact OD1-ND1 3.07Å; D164-H251 IonicContact OD2-CE1 3.54Å |
| 165 | M | 95.2 | Very high | 94.7 | Very high | 15 Ų | 15 | 22.8 Ų | 22.8 | 7% | 0.074 | 12% | 0.12 | C | C | . | . | S | Bend | trans | -87.3 | 41.4 | 179 | -56.3 | 175.3 | 67.3 | 0 | 0 | 112 | F106 V108 Y161 S162 H163 Y196 | F106-M165 VanDerWaalsContact O-CE 3.32Å; F106-M165 WeakPolarHBondContact O-CE 3.33Å; V108-M165 HydrophobicContact CG1-CB 3.67Å; V108-M165 HydrophobicContact CG1-CE 3.95Å; V108-M165 WeakPolarHBondContact CG1-O 3.49Å; Y161-M165 HydrophobicContact CD2-CB 3.72Å; Y161-M165 HydrophobicContact CE2-CB 4.17Å; Y161-M165 WeakPolarHBondContact CE2-O 3.18Å; Y161-M165 HydrophobicContact CG-CB 4.4Å; S162-M165 VanDerWaalsContact O-CB 3.31Å; S162-M165 WeakPolarHBondContact O-CB 3.11Å; S162-M165 PolarHBondContact O-N 2.8Å; H163-M165 VanDerWaalsContact C-N 3.34Å; M165-Y196 HydrophobicContact CB-CD2 4.39Å; M165-Y196 HydrophobicContact CB-CE1 4.46Å; M165-Y196 HydrophobicContact CB-CE2 4.14Å; M165-Y196 HydrophobicContact CG-CE2 4.04Å |
| 166 | G | 94.3 | Very high | 94.3 | Very high | 6 Ų | 6 | 22.9 Ų | 22.9 | 6% | 0.062 | 13% | 0.125 | C | C | . | . | S | Bend | trans | 173.7 | 147.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | D164 Y196 V199 | D164-G166 PolarHBondContact O-N 2.84Å; D164-G166 VanDerWaalsContact O-N 3.12Å; G166-Y196 CarbonylContact C-O 3.46Å; G166-V199 CarbonylContact C-O 3.5Å; G166-V199 WeakPolarHBondContact CA-O 3.18Å |
| 167 | C | 94 | Very high | 93.9 | Very high | 7 Ų | 7 | 26.8 Ų | 26.8 | 5% | 0.047 | 15% | 0.151 | C | C | . | . | B | Isolated β-bridge | trans | -71.4 | 157.9 | 176.6 | 68.4 | 0 | 0 | 0 | 0 | 110.3 | C181 Y196 V199 A200 L201 | C167-C181 HydrophobicContact CB-CB 3.94Å; C167-C181 WeakPolarHBondContact CB-SG 3.48Å; C167-C181 PolarHBondContact O-SG 2.92Å; C167-C181 WeakPolarHBondContact SG-CA 3.31Å; C167-C181 WeakPolarHBondContact SG-CB 3.36Å; C167-C181 CovalentContact SG-SG 2.04Å; C167-C181 PolarHBondContact SG-SG 3.21Å; C167-Y196 WeakPolarHBondContact CA-O 3.48Å; C167-Y196 VanDerWaalsContact CB-O 3.27Å; C167-Y196 WeakPolarHBondContact CB-O 3.3Å; C167-Y196 PolarHBondContact N-O 3.13Å; C167-V199 PolarHBondContact N-O 3.35Å; C167-A200 WeakPolarHBondContact O-CA 3.4Å; C167-L201 PolarHBondContact O-N 2.88Å |
| 168 | T | 93.8 | Very high | 93.4 | Very high | 4 Ų | 4 | 28 Ų | 28 | 3% | 0.025 | 16% | 0.16 | C | C | . | . | trans | -134.6 | 162.8 | 165.6 | 67.7 | 0 | 0 | 0 | 0 | 110 | T170 P171 A180 C181 L201 V214 L216 | T168-T170 PolarHBondContact O-N 3.41Å; T168-T170 VanDerWaalsContact OG1-C 3.32Å; T168-T170 PolarHBondContact OG1-O 3.27Å; T168-P171 WeakPolarHBondContact OG1-CA 3.31Å; T168-A180 CarbonylContact O-C 3.59Å; T168-A180 VanDerWaalsContact O-CA 3.26Å; T168-A180 WeakPolarHBondContact O-CA 3.46Å; T168-C181 PolarHBondContact N-SG 2.88Å; T168-C181 VanDerWaalsContact N-SG 3.38Å; T168-C181 PolarHBondContact O-N 3.49Å; T168-L201 HydrophobicContact CG2-CB 4.12Å; T168-L201 HydrophobicContact CG2-CD2 4.33Å; T168-V214 WeakPolarHBondContact CB-O 3.49Å; T168-V214 WeakPolarHBondContact CG2-O 3.49Å; T168-L216 HydrophobicContact CG2-CD1 4.14Å; T168-L216 HydrophobicContact CG2-CD2 4.25Å; T168-L216 HydrophobicContact CG2-CG 3.99Å | ||
| 169 | D | 92.1 | Very high | 93 | Very high | 67 Ų | 67 | 31 Ų | 31 | 36% | 0.358 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -71.7 | -22.1 | 177.3 | -67.9 | -23.6 | 0 | 0 | 0 | 113.1 | P171 Q183 P213 R521 | D169-P171 WeakPolarHBondContact O-CD 3.26Å; D169-Q183 PolarHBondContact OD1-NE2 3.06Å; D169-Q183 VanDerWaalsContact OD1-NE2 3.07Å; D169-P213 WeakPolarHBondContact OD2-CG 3.27Å; D169-R521 IonicContact OD1-CZ 2.6Å; D169-R521 IonicContact OD1-NH2 3.91Å; D169-R521 PolarHBondContact OD1-NH2 3.15Å; D169-R521 IonicContact OD2-CZ 2.65Å; D169-R521 IonicContact OD2-NH2 3.78Å; D169-R521 PolarHBondContact OD2-NH2 3.45Å |
| 170 | T | 88.6 | Confident | 92.7 | Very high | 55 Ų | 55 | 33.1 Ų | 33.1 | 34% | 0.337 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -124.1 | 74.1 | 178.4 | 48.2 | 0 | 0 | 0 | 0 | 107.9 | T168 G172 | T168-T170 PolarHBondContact O-N 3.41Å; T168-T170 VanDerWaalsContact OG1-C 3.32Å; T168-T170 PolarHBondContact OG1-O 3.27Å; T170-G172 PolarHBondContact O-N 3.19Å |
| 171 | P | 85.4 | Confident | 92.3 | Very high | 30 Ų | 30 | 33.2 Ų | 33.2 | 20% | 0.195 | 20% | 0.198 | C | C | . | . | trans | -64 | 10.3 | -164.8 | 27.4 | -38.4 | 0 | 0 | 0 | 116.4 | T168 D169 C178 A180 P253 | T168-P171 WeakPolarHBondContact OG1-CA 3.31Å; D169-P171 WeakPolarHBondContact O-CD 3.26Å; P171-C178 WeakPolarHBondContact CB-O 3.15Å; P171-C178 WeakPolarHBondContact CG-O 3.2Å; P171-A180 HydrophobicContact CG-CB 4.24Å; P171-P253 WeakPolarHBondContact O-CB 3.39Å | ||
| 172 | G | 90.3 | Very high | 91.9 | Very high | 18 Ų | 18 | 34.8 Ų | 34.8 | 19% | 0.186 | 21% | 0.208 | C | C | . | . | trans | 58.7 | -163.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | T170 L254 | T170-G172 PolarHBondContact O-N 3.19Å; G172-L254 CarbonylContact C-O 3.57Å; G172-L254 WeakPolarHBondContact CA-O 3.28Å | ||
| 173 | Y | 92.3 | Very high | 91.2 | Very high | 80 Ų | 80 | 39 Ų | 39 | 31% | 0.314 | 23% | 0.228 | S | C | . | . | B | Isolated β-bridge | trans | -99.1 | 120.4 | 174.3 | -61.4 | -74.8 | 0 | 0 | 0 | 109.8 | P253 L254 V256 L268 | Y173-P253 CarbonylContact O-C 3.52Å; Y173-P253 WeakPolarHBondContact O-CA 3.33Å; Y173-L254 PolarHBondContact N-O 3.17Å; Y173-L254 PolarHBondContact O-N 3.34Å; Y173-V256 HydrophobicContact CE2-CB 4.39Å; Y173-V256 HydrophobicContact CE2-CG1 4.34Å; Y173-V256 HydrophobicContact CE2-CG2 4.19Å; Y173-L268 HydrophobicContact CD1-CD1 3.9Å; Y173-L268 HydrophobicContact CD2-CD1 4.17Å; Y173-L268 HydrophobicContact CD2-CD2 3.7Å; Y173-L268 HydrophobicContact CD2-CG 4.47Å; Y173-L268 HydrophobicContact CE1-CD1 4.25Å; Y173-L268 HydrophobicContact CE1-CD2 4.39Å; Y173-L268 HydrophobicContact CE2-CD1 4.47Å; Y173-L268 HydrophobicContact CE2-CD2 3.47Å; Y173-L268 VanDerWaalsContact CE2-CD2 3.47Å; Y173-L268 HydrophobicContact CG-CD1 3.85Å; Y173-L268 HydrophobicContact CG-CD2 4.24Å |
| 174 | N | 92.9 | Very high | 90.2 | Very high | 14 Ų | 14 | 40.4 Ų | 40.4 | 8% | 0.075 | 24% | 0.244 | C | C | . | . | trans | -133 | 162.3 | 174.6 | -164.4 | 11.3 | 0 | 0 | 0 | 110.4 | P176 P177 C178 V252 P253 K309 L312 | N174-P176 CarbonylContact C-O 3.48Å; N174-P176 VanDerWaalsContact C-O 3.29Å; N174-P176 WeakPolarHBondContact CB-O 3.41Å; N174-P176 PolarHBondContact ND2-O 3.08Å; N174-P176 CarbonylContact O-C 3.3Å; N174-P176 VanDerWaalsContact O-C 3.3Å; N174-P177 WeakPolarHBondContact O-CA 3.39Å; N174-C178 PolarHBondContact ND2-SG 3.29Å; N174-C178 VanDerWaalsContact ND2-SG 3.38Å; N174-V252 WeakPolarHBondContact OD1-CG2 3.43Å; N174-P253 HydrophobicContact CB-CB 4.21Å; N174-K309 PolarHBondContact OD1-NZ 3.3Å; N174-L312 VanDerWaalsContact C-CD1 3.4Å | ||
| 175 | H | 90.9 | Very high | 88.7 | Confident | 83 Ų | 83 | 46.3 Ų | 46.3 | 38% | 0.384 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -126.3 | 115.9 | 171 | -170.5 | 76.1 | 0 | 0 | 0 | 110.3 | K309 C310 L312 | H175-K309 VanDerWaalsContact O-CD 3.24Å; H175-K309 WeakPolarHBondContact O-CD 3.42Å; H175-K309 PolarHBondContact O-NZ 3.4Å; H175-C310 PolarHBondContact CD2-SG 2.96Å; H175-L312 HydrophobicContact CB-CD1 4.23Å |
| 176 | P | 90.8 | Very high | 86.9 | Confident | 43 Ų | 43 | 48.1 Ų | 48.1 | 28% | 0.279 | 30% | 0.298 | S | S | . | . | S | Bend | cis | -60.8 | 159.7 | -13.7 | 29.6 | -35.6 | 0 | 0 | 0 | 111.9 | N174 | N174-P176 CarbonylContact C-O 3.48Å; N174-P176 VanDerWaalsContact C-O 3.29Å; N174-P176 WeakPolarHBondContact CB-O 3.41Å; N174-P176 PolarHBondContact ND2-O 3.08Å; N174-P176 CarbonylContact O-C 3.3Å; N174-P176 VanDerWaalsContact O-C 3.3Å |
| 177 | P | 90.3 | Very high | 84.8 | Confident | 83 Ų | 83 | 53.9 Ų | 53.9 | 54% | 0.539 | 33% | 0.334 | S | S | . | . | P | Polyproline II helix | trans | -61.2 | 140.3 | 175.3 | -22.1 | 33.3 | 0 | 0 | 0 | 111.2 | N174 Q192 | N174-P177 WeakPolarHBondContact O-CA 3.39Å; P177-Q192 PolarHBondContact O-NE2 2.94Å; P177-Q192 PolarHBondContact O-OE1 2.75Å |
| 178 | C | 89.8 | Confident | 82.9 | Confident | 32 Ų | 32 | 55.8 Ų | 55.8 | 22% | 0.216 | 35% | 0.348 | C | S | . | . | P | Polyproline II helix | trans | -100 | 148.5 | 173.5 | -71.2 | 0 | 0 | 0 | 0 | 111.4 | P171 N174 C195 | P171-C178 WeakPolarHBondContact CB-O 3.15Å; P171-C178 WeakPolarHBondContact CG-O 3.2Å; N174-C178 PolarHBondContact ND2-SG 3.29Å; N174-C178 VanDerWaalsContact ND2-SG 3.38Å; C178-C195 WeakPolarHBondContact CA-SG 3.15Å; C178-C195 HydrophobicContact CB-CB 3.82Å; C178-C195 WeakPolarHBondContact CB-SG 3.43Å; C178-C195 WeakPolarHBondContact SG-CB 3.31Å; C178-C195 CovalentContact SG-SG 2.05Å; C178-C195 PolarHBondContact SG-SG 2.87Å |
| 179 | P | 90.5 | Very high | 80.8 | Confident | 63 Ų | 63 | 59.5 Ų | 59.5 | 41% | 0.409 | 37% | 0.374 | S | S | . | . | P | Polyproline II helix | trans | -72.1 | 163.7 | 175.5 | 31.8 | -35.7 | 0 | 0 | 0 | 111.9 | T197 | P179-T197 HydrophobicContact CG-CG2 3.9Š|
| 180 | A | 91.3 | Very high | 78.8 | Confident | 46 Ų | 46 | 63.1 Ų | 63.1 | 38% | 0.38 | 39% | 0.393 | S | S | . | . | P | Polyproline II helix | trans | -69.2 | 163.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | T168 P171 | T168-A180 CarbonylContact O-C 3.59Å; T168-A180 VanDerWaalsContact O-CA 3.26Å; T168-A180 WeakPolarHBondContact O-CA 3.46Å; P171-A180 HydrophobicContact CG-CB 4.24Å |
| 181 | C | 90.6 | Very high | 77 | Confident | 5 Ų | 5 | 67.4 Ų | 67.4 | 3% | 0.034 | 41% | 0.413 | C | S | . | . | P | Polyproline II helix | trans | -55.1 | 141 | 174.1 | -78.8 | 0 | 0 | 0 | 0 | 112.2 | C167 T168 Q183 | C167-C181 HydrophobicContact CB-CB 3.94Å; C167-C181 WeakPolarHBondContact CB-SG 3.48Å; C167-C181 PolarHBondContact O-SG 2.92Å; C167-C181 WeakPolarHBondContact SG-CA 3.31Å; C167-C181 WeakPolarHBondContact SG-CB 3.36Å; C167-C181 CovalentContact SG-SG 2.04Å; C167-C181 PolarHBondContact SG-SG 3.21Å; T168-C181 PolarHBondContact N-SG 2.88Å; T168-C181 VanDerWaalsContact N-SG 3.38Å; T168-C181 PolarHBondContact O-N 3.49Å; C181-Q183 PolarHBondContact O-NE2 2.68Å |
| 182 | P | 88.4 | Confident | 75.6 | Confident | 35 Ų | 35 | 69.6 Ų | 69.6 | 23% | 0.227 | 42% | 0.421 | C | S | . | . | P | Polyproline II helix | trans | -62.3 | 140.6 | 173.3 | 26.8 | -33.4 | 0 | 0 | 0 | 110.7 | T197 T518 A519 | P182-T197 VanDerWaalsContact CD-O 3.22Å; P182-T197 WeakPolarHBondContact CD-O 3.47Å; P182-T197 WeakPolarHBondContact CG-O 3.34Å; P182-T518 HydrophobicContact CB-CG2 4.06Å; P182-T518 HydrophobicContact CG-CG2 3.92Å; P182-A519 HydrophobicContact CG-CB 4.15Å |
| 183 | Q | 83.6 | Confident | 74.1 | Confident | 92 Ų | 92 | 80.1 Ų | 80.1 | 43% | 0.43 | 46% | 0.455 | S | S | . | . | trans | -106.5 | -0.1 | -178.1 | -58.4 | -64.2 | -26 | 0 | 0 | 113.1 | D169 C181 P525 | D169-Q183 PolarHBondContact OD1-NE2 3.06Å; D169-Q183 VanDerWaalsContact OD1-NE2 3.07Å; C181-Q183 PolarHBondContact O-NE2 2.68Å; Q183-P525 HydrophobicContact CB-CG 4.45Å; Q183-P525 VanDerWaalsContact OE1-CG 3.24Å | ||
| 184 | G | 75.3 | Confident | 73.2 | Confident | 36 Ų | 36 | 82.3 Ų | 82.3 | 37% | 0.371 | 47% | 0.472 | S | S | . | . | S | Bend | trans | -166.9 | 177.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | G186 | G184-G186 PolarHBondContact O-N 2.93Š|
| 185 | D | 63.3 | Low | 72.8 | Confident | 159 Ų | 159 | 82.5 Ų | 82.5 | 85% | 0.85 | 48% | 0.475 | S | S | * | . | S | Bend | trans | -75.1 | 19.6 | -168.8 | -57.6 | -36.4 | 0 | 0 | 0 | 115.4 | T518 | D185-T518 PolarHBondContact OD1-OG1 2.63Š|
| 186 | G | 56.7 | Low | 72.5 | Confident | 52 Ų | 52 | 83 Ų | 83 | 54% | 0.536 | 47% | 0.473 | S | S | . | . | S | Bend | trans | -70.1 | 145.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111 | G184 S188 | G184-G186 PolarHBondContact O-N 2.93Å; G186-S188 PolarHBondContact O-N 3.11Å; G186-S188 VanDerWaalsContact O-N 3.1Å |
| 187 | P | 49.4 | Very low | 72.2 | Confident | 127 Ų | 127 | 81.8 Ų | 81.8 | 83% | 0.825 | 47% | 0.465 | S | S | * | . | trans | -57 | 122.9 | 173.2 | 22.8 | -30.4 | 0 | 0 | 0 | 108.9 | S189 | P187-S189 VanDerWaalsContact C-N 3.31Å; P187-S189 PolarHBondContact O-N 3.35Å | ||
| 188 | S | 53.7 | Low | 71.9 | Confident | 48 Ų | 48 | 83.8 Ų | 83.8 | 34% | 0.336 | 47% | 0.472 | S | S | . | . | trans | -56.5 | 102.2 | 164 | 179.1 | 0 | 0 | 0 | 0 | 106 | G186 N190 T197 | G186-S188 PolarHBondContact O-N 3.11Å; G186-S188 VanDerWaalsContact O-N 3.1Å; S188-N190 PolarHBondContact O-N 2.72Å; S188-T197 PolarHBondContact OG-OG1 3.09Å; S188-T197 VanDerWaalsContact OG-OG1 3.13Å | ||
| 189 | S | 50.8 | Low | 72 | Confident | 81 Ų | 81 | 82.9 Ų | 82.9 | 57% | 0.566 | 47% | 0.465 | S | S | * | . | trans | -62.6 | 107.2 | 172.9 | 57.2 | 0 | 0 | 0 | 0 | 105.5 | P187 L191 | P187-S189 VanDerWaalsContact C-N 3.31Å; P187-S189 PolarHBondContact O-N 3.35Å; S189-L191 PolarHBondContact O-N 2.8Å; S189-L191 VanDerWaalsContact OG-CD1 3.29Å; S189-L191 WeakPolarHBondContact OG-CD1 3.49Å | ||
| 190 | N | 50 | Low | 72.2 | Confident | 143 Ų | 143 | 79.9 Ų | 79.9 | 77% | 0.765 | 45% | 0.446 | S | S | * | . | trans | -56.4 | 61.6 | 177.2 | -81.1 | -35.8 | 0 | 0 | 0 | 112.3 | S188 | S188-N190 PolarHBondContact O-N 2.72Š| ||
| 191 | L | 50 | Low | 72.5 | Confident | 146 Ų | 146 | 77.7 Ų | 77.7 | 76% | 0.764 | 43% | 0.428 | S | S | * | . | trans | -86.1 | -18.2 | -173.9 | -77.7 | 166.5 | 0 | 0 | 0 | 111.8 | S189 | S189-L191 PolarHBondContact O-N 2.8Å; S189-L191 VanDerWaalsContact OG-CD1 3.29Å; S189-L191 WeakPolarHBondContact OG-CD1 3.49Å | ||
| 192 | Q | 57.6 | Low | 72.9 | Confident | 75 Ų | 75 | 77.5 Ų | 77.5 | 35% | 0.35 | 43% | 0.426 | S | S | . | . | trans | -140 | 109.3 | 172.2 | -85.9 | 147.6 | -19.6 | 0 | 0 | 109.9 | P177 D194 | P177-Q192 PolarHBondContact O-NE2 2.94Å; P177-Q192 PolarHBondContact O-OE1 2.75Å; Q192-D194 PolarHBondContact O-N 3.04Å | ||
| 193 | R | 58.9 | Low | 73.4 | Confident | 240 Ų | 240 | 75.9 Ų | 75.9 | 91% | 0.906 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -10.8 | -177.7 | -73.8 | -175 | -176.3 | -177.9 | 1 | 114.6 | ||
| 194 | D | 73.2 | Confident | 74.1 | Confident | 125 Ų | 125 | 72.6 Ų | 72.6 | 67% | 0.668 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.5 | 3.8 | -169.5 | -53.6 | -38.2 | 0 | 0 | 0 | 114 | Q192 | Q192-D194 PolarHBondContact O-N 3.04Š|
| 195 | C | 84.3 | Confident | 75.2 | Confident | 19 Ų | 19 | 73.6 Ų | 73.6 | 13% | 0.128 | 40% | 0.395 | C | S | . | . | S | Bend | trans | -108.4 | 136 | 179.9 | -61.1 | 0 | 0 | 0 | 0 | 111.6 | C178 T197 | C178-C195 WeakPolarHBondContact CA-SG 3.15Å; C178-C195 HydrophobicContact CB-CB 3.82Å; C178-C195 WeakPolarHBondContact CB-SG 3.43Å; C178-C195 WeakPolarHBondContact SG-CB 3.31Å; C178-C195 CovalentContact SG-SG 2.05Å; C178-C195 PolarHBondContact SG-SG 2.87Å; C195-T197 HydrophobicContact CB-CG2 4.48Å; C195-T197 PolarHBondContact O-N 3Å |
| 196 | Y | 84.8 | Confident | 76.9 | Confident | 92 Ų | 92 | 68.4 Ų | 68.4 | 36% | 0.361 | 37% | 0.367 | S | S | . | . | trans | -78.1 | 101.1 | 172.7 | -73 | -103.4 | 0 | 0 | 0 | 109.7 | V108 D164 M165 G166 C167 | V108-Y196 HydrophobicContact CG1-CD1 4.23Å; V108-Y196 HydrophobicContact CG1-CE1 3.86Å; V108-Y196 HydrophobicContact CG2-CD1 4.28Å; V108-Y196 HydrophobicContact CG2-CE1 3.87Å; D164-Y196 VanDerWaalsContact O-CD2 3.26Å; D164-Y196 WeakPolarHBondContact O-CD2 3.37Å; M165-Y196 HydrophobicContact CB-CD2 4.39Å; M165-Y196 HydrophobicContact CB-CE1 4.46Å; M165-Y196 HydrophobicContact CB-CE2 4.14Å; M165-Y196 HydrophobicContact CG-CE2 4.04Å; G166-Y196 CarbonylContact C-O 3.46Å; C167-Y196 WeakPolarHBondContact CA-O 3.48Å; C167-Y196 VanDerWaalsContact CB-O 3.27Å; C167-Y196 WeakPolarHBondContact CB-O 3.3Å; C167-Y196 PolarHBondContact N-O 3.13Å | ||
| 197 | T | 82.9 | Confident | 78.8 | Confident | 18 Ų | 18 | 70.5 Ų | 70.5 | 11% | 0.11 | 37% | 0.365 | C | S | . | . | trans | -100.9 | -18.5 | -180 | 55.7 | 0 | 0 | 0 | 0 | 114.4 | P179 P182 S188 C195 | P179-T197 HydrophobicContact CG-CG2 3.9Å; P182-T197 VanDerWaalsContact CD-O 3.22Å; P182-T197 WeakPolarHBondContact CD-O 3.47Å; P182-T197 WeakPolarHBondContact CG-O 3.34Å; S188-T197 PolarHBondContact OG-OG1 3.09Å; S188-T197 VanDerWaalsContact OG-OG1 3.13Å; C195-T197 HydrophobicContact CB-CG2 4.48Å; C195-T197 PolarHBondContact O-N 3Å | ||
| 198 | D | 84.7 | Confident | 81.1 | Confident | 126 Ų | 126 | 69.8 Ų | 69.8 | 67% | 0.674 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -89.4 | -17 | -164.6 | -56.8 | -19.8 | 0 | 0 | 0 | 113.2 | A519 | D198-A519 WeakPolarHBondContact O-CA 3.45Š|
| 199 | V | 91.5 | Very high | 83.2 | Confident | 13 Ų | 13 | 69.2 Ų | 69.2 | 8% | 0.079 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -136.4 | 134.7 | 176.2 | 68 | 0 | 0 | 0 | 0 | 110.1 | G166 C167 T510 C520 | G166-V199 CarbonylContact C-O 3.5Å; G166-V199 WeakPolarHBondContact CA-O 3.18Å; C167-V199 PolarHBondContact N-O 3.35Å; V199-T510 HydrophobicContact CB-CG2 4.07Å; V199-T510 HydrophobicContact CG1-CG2 4.01Å; V199-T510 HydrophobicContact CG2-CG2 3.66Å; V199-C520 HydrophobicContact CG2-CB 4.17Å |
| 200 | A | 96 | Very high | 85.5 | Confident | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 34% | 0.34 | C | S | . | . | B | Isolated β-bridge | trans | -74.1 | 143.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | C167 P202 Q212 P213 A519 | C167-A200 WeakPolarHBondContact O-CA 3.4Å; A200-P202 WeakPolarHBondContact O-CD 3.42Å; A200-Q212 HydrophobicContact CB-CG 3.67Å; A200-Q212 PolarHBondContact O-NE2 3.33Å; A200-P213 HydrophobicContact CB-CB 3.75Å; A200-P213 HydrophobicContact CB-CG 4.39Å; A200-A519 HydrophobicContact CB-CB 4.26Å; A200-A519 WeakPolarHBondContact CB-O 3.31Å; A200-A519 PolarHBondContact N-O 2.82Å |
| 201 | L | 97.3 | Very high | 87.7 | Confident | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 31% | 0.313 | C | S | . | . | P | Polyproline II helix | trans | -62.3 | 127 | 174.3 | -175.6 | 68.7 | 0 | 0 | 0 | 110.2 | I159 Y161 H163 C167 T168 P213 V214 L216 | I159-L201 HydrophobicContact CB-CD1 4.49Å; I159-L201 HydrophobicContact CG2-CD2 4.16Å; I159-L201 HydrophobicContact CG2-CG 4.29Å; Y161-L201 HydrophobicContact CD2-CD1 3.95Å; Y161-L201 HydrophobicContact CE2-CD1 3.62Å; H163-L201 HydrophobicContact CB-CD2 3.41Å; H163-L201 VanDerWaalsContact CB-CD2 3.41Å; C167-L201 PolarHBondContact O-N 2.88Å; T168-L201 HydrophobicContact CG2-CB 4.12Å; T168-L201 HydrophobicContact CG2-CD2 4.33Å; L201-P213 CarbonylContact O-C 3.56Å; L201-P213 WeakPolarHBondContact O-CA 3.45Å; L201-V214 HydrophobicContact CB-CG2 4.18Å; L201-V214 HydrophobicContact CD2-CB 4.04Å; L201-V214 HydrophobicContact CD2-CG2 3.93Å; L201-V214 HydrophobicContact CG-CB 4.38Å; L201-V214 HydrophobicContact CG-CG2 3.81Å; L201-V214 VanDerWaalsContact O-CG2 3.27Å; L201-V214 WeakPolarHBondContact O-CG2 3.47Å; L201-V214 PolarHBondContact O-N 3.44Å; L201-L216 HydrophobicContact CD2-CD2 4.16Å |
| 202 | P | 97.9 | Very high | 90 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 28% | 0.278 | C | S | . | . | P | Polyproline II helix | trans | -89.7 | 148.3 | 173.9 | 36.6 | -38.7 | 0 | 0 | 0 | 112.2 | P160 Y161 A200 Y204 I209 E211 Q212 V214 P511 | P160-P202 WeakPolarHBondContact CD-O 3.36Å; P160-P202 HydrophobicContact CG-CG 3.7Å; Y161-P202 WeakPolarHBondContact OH-CD 3.45Å; A200-P202 WeakPolarHBondContact O-CD 3.42Å; P202-Y204 HydrophobicContact CB-CD2 4.35Å; P202-Y204 HydrophobicContact CB-CE2 3.94Å; P202-Y204 HydrophobicContact CG-CD2 4.48Å; P202-Y204 HydrophobicContact CG-CE2 3.89Å; P202-I209 HydrophobicContact CB-CD1 4.25Å; P202-I209 HydrophobicContact CB-CG1 4.29Å; P202-I209 HydrophobicContact CB-CG2 3.98Å; P202-E211 CarbonylContact C-O 3.5Å; P202-E211 WeakPolarHBondContact CA-O 3.12Å; P202-Q212 HydrophobicContact CB-CB 4.46Å; P202-Q212 HydrophobicContact CB-CG 4.32Å; P202-V214 VanDerWaalsContact C-CG2 3.49Å; P202-P511 HydrophobicContact CB-CB 4.23Å; P202-P511 HydrophobicContact CG-CB 3.76Å; P202-P511 HydrophobicContact CG-CG 4.17Å |
| 203 | L | 98.6 | Very high | 91.8 | Very high | 1 Ų | 1 | 54.3 Ų | 54.3 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 127.2 | 165.2 | 179.7 | 63.9 | 0 | 0 | 0 | 108.7 | F157 I159 I209 V210 E211 V214 L219 K222 Y223 | F157-L203 HydrophobicContact CE1-CD1 4.12Å; F157-L203 HydrophobicContact CE1-CD2 4.31Å; F157-L203 HydrophobicContact CE2-CD2 4.24Å; F157-L203 HydrophobicContact CE2-CG 4.37Å; F157-L203 HydrophobicContact CZ-CD1 4.18Å; F157-L203 HydrophobicContact CZ-CD2 3.7Å; F157-L203 HydrophobicContact CZ-CG 4.14Å; I159-L203 HydrophobicContact CG2-CD1 4.25Å; L203-I209 WeakPolarHBondContact O-CA 3.49Å; L203-V210 HydrophobicContact CB-CG2 4.44Å; L203-V210 HydrophobicContact CD2-CG2 4.35Å; L203-V210 HydrophobicContact CG-CG2 4.09Å; L203-V210 WeakPolarHBondContact O-CG2 3.36Å; L203-V210 PolarHBondContact O-N 3.38Å; L203-E211 HydrophobicContact CB-CB 4.12Å; L203-E211 HydrophobicContact CD2-CB 4.35Å; L203-E211 WeakPolarHBondContact CD2-OE2 3.29Å; L203-E211 PolarHBondContact N-O 3.16Å; L203-E211 PolarHBondContact O-N 3.43Å; L203-V214 HydrophobicContact CB-CG2 3.61Å; L203-L219 HydrophobicContact CD1-CD1 4.01Å; L203-L219 HydrophobicContact CD2-CD1 4.37Å; L203-K222 HydrophobicContact CD2-CD 4.29Å; L203-Y223 HydrophobicContact CD1-CE1 4.32Å |
| 204 | Y | 98.7 | Very high | 93.5 | Very high | 24 Ų | 24 | 43 Ų | 43 | 9% | 0.094 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 145.5 | 179.9 | -78.7 | -101.2 | 0 | 0 | 0 | 111.8 | H147 Y156 F157 G158 P160 P202 N208 I209 P511 | H147-Y204 AromaticContact NE2-CD1 3.72Å; Y156-Y204 HydrophobicContact CE1-CG 4.19Å; F157-Y204 VanDerWaalsContact CA-O 3.29Å; F157-Y204 WeakPolarHBondContact CA-O 3.41Å; G158-Y204 PolarHBondContact N-O 3.22Å; G158-Y204 PolarHBondContact O-N 3.03Å; P160-Y204 HydrophobicContact CB-CE2 4.43Å; P160-Y204 HydrophobicContact CG-CD2 4.33Å; P160-Y204 HydrophobicContact CG-CE2 3.98Å; P202-Y204 HydrophobicContact CB-CD2 4.35Å; P202-Y204 HydrophobicContact CB-CE2 3.94Å; P202-Y204 HydrophobicContact CG-CD2 4.48Å; P202-Y204 HydrophobicContact CG-CE2 3.89Å; Y204-N208 CarbonylContact C-O 3.38Å; Y204-N208 VanDerWaalsContact CA-O 3.29Å; Y204-N208 WeakPolarHBondContact CA-O 3.47Å; Y204-I209 HydrophobicContact CD1-CG1 4.24Å; Y204-I209 HydrophobicContact CD2-CG1 4.43Å; Y204-I209 HydrophobicContact CE1-CG1 3.7Å; Y204-I209 HydrophobicContact CE2-CG1 3.91Å; Y204-P511 HydrophobicContact CE2-CB 4.38Å; Y204-P511 WeakPolarHBondContact OH-CB 3.36Å |
| 205 | E | 98.6 | Very high | 94.6 | Very high | 57 Ų | 57 | 40.1 Ų | 40.1 | 27% | 0.266 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 111.9 | 153.2 | -174.6 | 155.2 | -156.3 | 0 | 0 | 108.5 | Y155 Y156 F157 L207 N208 V210 K226 | Y155-E205 HydrophobicContact CE2-CG 4.12Å; Y155-E205 WeakPolarHBondContact CE2-OE1 3.43Å; Y155-E205 PolarHBondContact OH-OE1 2.74Å; Y156-E205 CarbonylContact O-C 3.58Å; Y156-E205 WeakPolarHBondContact O-CA 3.43Å; F157-E205 HydrophobicContact CD2-CB 3.97Å; F157-E205 HydrophobicContact CD2-CG 4.21Å; E205-L207 PolarHBondContact O-N 2.97Å; E205-N208 PolarHBondContact N-O 3.25Å; E205-N208 PolarHBondContact O-N 2.92Å; E205-N208 VanDerWaalsContact O-N 3.12Å; E205-V210 HydrophobicContact CB-CG1 3.63Å; E205-V210 HydrophobicContact CB-CG2 4.3Å; E205-K226 IonicContact OE1-NZ 3.39Å; E205-K226 PolarHBondContact OE1-NZ 3.08Å; E205-K226 IonicContact OE2-NZ 2.77Å; E205-K226 PolarHBondContact OE2-NZ 2.9Å |
| 206 | N | 98.5 | Very high | 95 | Very high | 50 Ų | 50 | 39.4 Ų | 39.4 | 27% | 0.267 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.5 | -121.4 | -163.1 | -60 | -49.8 | 0 | 0 | 0 | 110.7 | H147 N149 Y155 Y156 N208 | H147-N206 PolarHBondContact CE1-O 2.66Å; H147-N206 PolarHBondContact NE2-O 2.9Å; N149-N206 PolarHBondContact ND2-OD1 3.39Å; N149-N206 VanDerWaalsContact OD1-CA 3.23Å; N149-N206 WeakPolarHBondContact OD1-CA 3.21Å; Y155-N206 WeakPolarHBondContact CA-OD1 3.46Å; Y156-N206 PolarHBondContact N-OD1 3.12Å; Y156-N206 PolarHBondContact O-N 3.32Å; N206-N208 VanDerWaalsContact C-N 3.34Å |
| 207 | L | 97.8 | Very high | 95.3 | Very high | 95 Ų | 95 | 37.4 Ų | 37.4 | 50% | 0.497 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -6.5 | -176.5 | -56.2 | -178.9 | 0 | 0 | 0 | 113.8 | N149 F150 E205 | N149-L207 HydrophobicContact CB-CD2 4.11Å; F150-L207 HydrophobicContact CE2-CD2 3.85Å; F150-L207 HydrophobicContact CZ-CD1 4.15Å; F150-L207 HydrophobicContact CZ-CD2 3.93Å; E205-L207 PolarHBondContact O-N 2.97Å |
| 208 | N | 97.9 | Very high | 95.8 | Very high | 113 Ų | 113 | 38 Ų | 38 | 60% | 0.604 | 21% | 0.207 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -102 | 133.7 | -172.8 | -60.6 | -51.1 | 0 | 0 | 0 | 111 | Y204 E205 N206 V210 | Y204-N208 CarbonylContact C-O 3.38Å; Y204-N208 VanDerWaalsContact CA-O 3.29Å; Y204-N208 WeakPolarHBondContact CA-O 3.47Å; E205-N208 PolarHBondContact N-O 3.25Å; E205-N208 PolarHBondContact O-N 2.92Å; E205-N208 VanDerWaalsContact O-N 3.12Å; N206-N208 VanDerWaalsContact C-N 3.34Å; N208-V210 PolarHBondContact O-N 3.36Å |
| 209 | I | 98.3 | Very high | 96.3 | Very high | 35 Ų | 35 | 32.4 Ų | 32.4 | 18% | 0.179 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 116.5 | 165.2 | -58.4 | 173.1 | 0 | 0 | 0 | 107.3 | P202 L203 Y204 Q212 P511 C513 | P202-I209 HydrophobicContact CB-CD1 4.25Å; P202-I209 HydrophobicContact CB-CG1 4.29Å; P202-I209 HydrophobicContact CB-CG2 3.98Å; L203-I209 WeakPolarHBondContact O-CA 3.49Å; Y204-I209 HydrophobicContact CD1-CG1 4.24Å; Y204-I209 HydrophobicContact CD2-CG1 4.43Å; Y204-I209 HydrophobicContact CE1-CG1 3.7Å; Y204-I209 HydrophobicContact CE2-CG1 3.91Å; I209-Q212 HydrophobicContact CG2-CB 3.88Å; I209-P511 HydrophobicContact CD1-CB 4.04Å; I209-C513 HydrophobicContact CG2-CB 4.07Å |
| 210 | V | 97.6 | Very high | 96.6 | Very high | 71 Ų | 71 | 32 Ų | 32 | 43% | 0.43 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | -18.8 | -179.4 | -65.5 | 0 | 0 | 0 | 0 | 112.8 | F157 L203 E205 N208 | F157-V210 HydrophobicContact CE2-CG2 4.4Å; L203-V210 HydrophobicContact CB-CG2 4.44Å; L203-V210 HydrophobicContact CD2-CG2 4.35Å; L203-V210 HydrophobicContact CG-CG2 4.09Å; L203-V210 WeakPolarHBondContact O-CG2 3.36Å; L203-V210 PolarHBondContact O-N 3.38Å; E205-V210 HydrophobicContact CB-CG1 3.63Å; E205-V210 HydrophobicContact CB-CG2 4.3Å; N208-V210 PolarHBondContact O-N 3.36Å |
| 211 | E | 97.4 | Very high | 96.6 | Very high | 42 Ų | 42 | 36.1 Ų | 36.1 | 20% | 0.196 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | 130.6 | 179.5 | 179.7 | -177.9 | 178.8 | 0 | 0 | 109.8 | P202 L203 P213 N215 K222 | P202-E211 CarbonylContact C-O 3.5Å; P202-E211 WeakPolarHBondContact CA-O 3.12Å; L203-E211 HydrophobicContact CB-CB 4.12Å; L203-E211 HydrophobicContact CD2-CB 4.35Å; L203-E211 WeakPolarHBondContact CD2-OE2 3.29Å; L203-E211 PolarHBondContact N-O 3.16Å; L203-E211 PolarHBondContact O-N 3.43Å; E211-P213 WeakPolarHBondContact CG-O 3.25Å; E211-N215 WeakPolarHBondContact OE1-CB 3.29Å; E211-N215 PolarHBondContact OE1-N 3.41Å; E211-K222 VanDerWaalsContact CD-NZ 3.34Å; E211-K222 IonicContact OE1-NZ 3.57Å; E211-K222 PolarHBondContact OE1-NZ 2.92Å; E211-K222 IonicContact OE2-NZ 3.55Å; E211-K222 PolarHBondContact OE2-NZ 3.28Å |
| 212 | Q | 97.1 | Very high | 96.6 | Very high | 6 Ų | 6 | 38.7 Ų | 38.7 | 3% | 0.028 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -158 | 111.8 | 175.1 | -175 | 169.2 | 23.5 | 0 | 0 | 107.7 | A200 P202 I209 P511 C513 C520 R521 C522 | A200-Q212 HydrophobicContact CB-CG 3.67Å; A200-Q212 PolarHBondContact O-NE2 3.33Å; P202-Q212 HydrophobicContact CB-CB 4.46Å; P202-Q212 HydrophobicContact CB-CG 4.32Å; I209-Q212 HydrophobicContact CG2-CB 3.88Å; Q212-P511 PolarHBondContact NE2-O 3.04Å; Q212-C513 HydrophobicContact CB-CB 4.16Å; Q212-C513 VanDerWaalsContact OE1-CB 3.24Å; Q212-C520 PolarHBondContact OE1-O 3.37Å; Q212-R521 CarbonylContact O-C 3.57Å; Q212-R521 VanDerWaalsContact O-CA 3.28Å; Q212-R521 WeakPolarHBondContact O-CA 3.43Å; Q212-C522 PolarHBondContact O-N 2.83Å |
| 213 | P | 95.9 | Very high | 96.7 | Very high | 14 Ų | 14 | 38.7 Ų | 38.7 | 9% | 0.091 | 21% | 0.206 | C | C | . | . | S | Bend | cis | -72.1 | 148.4 | 1.5 | 27.4 | -33.5 | 0 | 0 | 0 | 114.2 | D169 A200 L201 E211 | D169-P213 WeakPolarHBondContact OD2-CG 3.27Å; A200-P213 HydrophobicContact CB-CB 3.75Å; A200-P213 HydrophobicContact CB-CG 4.39Å; L201-P213 CarbonylContact O-C 3.56Å; L201-P213 WeakPolarHBondContact O-CA 3.45Å; E211-P213 WeakPolarHBondContact CG-O 3.25Å |
| 214 | V | 95.8 | Very high | 96.7 | Very high | 2 Ų | 2 | 38.7 Ų | 38.7 | 1% | 0.012 | 21% | 0.206 | C | C | . | . | trans | -65.1 | 134.6 | 169.2 | -173.5 | 0 | 0 | 0 | 0 | 111.8 | I159 T168 L201 P202 L203 L216 L219 | I159-V214 HydrophobicContact CG2-CG2 4.21Å; T168-V214 WeakPolarHBondContact CB-O 3.49Å; T168-V214 WeakPolarHBondContact CG2-O 3.49Å; L201-V214 HydrophobicContact CB-CG2 4.18Å; L201-V214 HydrophobicContact CD2-CB 4.04Å; L201-V214 HydrophobicContact CD2-CG2 3.93Å; L201-V214 HydrophobicContact CG-CB 4.38Å; L201-V214 HydrophobicContact CG-CG2 3.81Å; L201-V214 VanDerWaalsContact O-CG2 3.27Å; L201-V214 WeakPolarHBondContact O-CG2 3.47Å; L201-V214 PolarHBondContact O-N 3.44Å; P202-V214 VanDerWaalsContact C-CG2 3.49Å; L203-V214 HydrophobicContact CB-CG2 3.61Å; V214-L216 HydrophobicContact CG1-CD2 4.44Å; V214-L216 PolarHBondContact O-N 3.25Å; V214-L219 HydrophobicContact CG1-CD1 3.92Å; V214-L219 HydrophobicContact CG1-CD2 4.2Å; V214-L219 HydrophobicContact CG1-CG 4.46Å | ||
| 215 | N | 94.3 | Very high | 96.7 | Very high | 65 Ų | 65 | 41.6 Ų | 41.6 | 35% | 0.348 | 22% | 0.22 | S | C | . | . | trans | -83 | 99.7 | 165.5 | -177.7 | -22.3 | 0 | 0 | 0 | 111.1 | E211 S217 S218 L219 | E211-N215 WeakPolarHBondContact OE1-CB 3.29Å; E211-N215 PolarHBondContact OE1-N 3.41Å; N215-S217 VanDerWaalsContact C-N 3.29Å; N215-S217 PolarHBondContact O-N 3.23Å; N215-S217 PolarHBondContact OD1-N 2.74Å; N215-S217 VanDerWaalsContact OD1-N 3.12Å; N215-S218 PolarHBondContact O-N 3.16Å; N215-S218 VanDerWaalsContact O-N 3.13Å; N215-S218 PolarHBondContact O-OG 3Å; N215-L219 PolarHBondContact O-N 3.4Å | ||
| 216 | L | 93.2 | Very high | 96.7 | Very high | 3 Ų | 3 | 40.7 Ų | 40.7 | 2% | 0.016 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.4 | -34.9 | -177.1 | -60.7 | -179.2 | 0 | 0 | 0 | 113.3 | H163 T168 L201 V214 S218 L219 P253 P255 | H163-L216 HydrophobicContact CB-CD2 4.07Å; T168-L216 HydrophobicContact CG2-CD1 4.14Å; T168-L216 HydrophobicContact CG2-CD2 4.25Å; T168-L216 HydrophobicContact CG2-CG 3.99Å; L201-L216 HydrophobicContact CD2-CD2 4.16Å; V214-L216 HydrophobicContact CG1-CD2 4.44Å; V214-L216 PolarHBondContact O-N 3.25Å; L216-S218 PolarHBondContact O-N 3.48Å; L216-L219 HydrophobicContact CD2-CD2 4.26Å; L216-L219 WeakPolarHBondContact O-CB 3.07Å; L216-L219 PolarHBondContact O-N 3Å; L216-P253 HydrophobicContact CD1-CG 3.76Å; L216-P255 HydrophobicContact CB-CB 4.48Å; L216-P255 HydrophobicContact CB-CG 4.45Å |
| 217 | S | 91.2 | Very high | 96.7 | Very high | 50 Ų | 50 | 38.3 Ų | 38.3 | 35% | 0.35 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -67.2 | -16.5 | -180 | -58.3 | 0 | 0 | 0 | 0 | 113.9 | N215 V256 | N215-S217 VanDerWaalsContact C-N 3.29Å; N215-S217 PolarHBondContact O-N 3.23Å; N215-S217 PolarHBondContact OD1-N 2.74Å; N215-S217 VanDerWaalsContact OD1-N 3.12Å; S217-V256 PolarHBondContact OG-O 3.06Å |
| 218 | S | 93.8 | Very high | 96.8 | Very high | 31 Ų | 31 | 35 Ų | 35 | 22% | 0.217 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -105.8 | -8.9 | 176.8 | 69 | 0 | 0 | 0 | 0 | 113.6 | N215 L216 A220 Q221 K222 | N215-S218 PolarHBondContact O-N 3.16Å; N215-S218 VanDerWaalsContact O-N 3.13Å; N215-S218 PolarHBondContact O-OG 3Å; L216-S218 PolarHBondContact O-N 3.48Å; S218-A220 PolarHBondContact O-N 2.8Å; S218-Q221 PolarHBondContact O-N 2.91Å; S218-K222 WeakPolarHBondContact O-CG 3.37Å; S218-K222 PolarHBondContact O-N 3.14Å; S218-K222 WeakPolarHBondContact OG-CE 3.27Å; S218-K222 PolarHBondContact OG-NZ 3.09Å |
| 219 | L | 96 | Very high | 96.8 | Very high | 8 Ų | 8 | 34 Ų | 34 | 4% | 0.042 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -66.8 | -41.1 | -167.1 | -173.3 | 60.6 | 0 | 0 | 0 | 112.4 | L203 V214 N215 L216 Q221 K222 Y223 A248 | L203-L219 HydrophobicContact CD1-CD1 4.01Å; L203-L219 HydrophobicContact CD2-CD1 4.37Å; V214-L219 HydrophobicContact CG1-CD1 3.92Å; V214-L219 HydrophobicContact CG1-CD2 4.2Å; V214-L219 HydrophobicContact CG1-CG 4.46Å; N215-L219 PolarHBondContact O-N 3.4Å; L216-L219 HydrophobicContact CD2-CD2 4.26Å; L216-L219 WeakPolarHBondContact O-CB 3.07Å; L216-L219 PolarHBondContact O-N 3Å; L219-Q221 VanDerWaalsContact C-N 3.33Å; L219-Q221 PolarHBondContact O-N 2.95Å; L219-K222 PolarHBondContact O-N 2.91Å; L219-Y223 HydrophobicContact CD1-CD1 4.17Å; L219-Y223 HydrophobicContact CD1-CE1 3.51Å; L219-Y223 HydrophobicContact CD1-CE2 4.19Å; L219-Y223 HydrophobicContact CD2-CE2 4.13Å; L219-Y223 HydrophobicContact CG-CD2 4.36Å; L219-Y223 HydrophobicContact CG-CE1 4.08Å; L219-Y223 HydrophobicContact CG-CE2 3.82Å; L219-Y223 PolarHBondContact O-N 2.83Å; L219-A248 HydrophobicContact CD2-CB 4.28Å |
| 220 | A | 96 | Very high | 96.8 | Very high | 5 Ų | 5 | 32.9 Ų | 32.9 | 4% | 0.041 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -57.4 | -47.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | S218 Y223 A224 E275 L279 | S218-A220 PolarHBondContact O-N 2.8Å; A220-Y223 PolarHBondContact O-N 2.77Å; A220-A224 PolarHBondContact O-N 2.96Å; A220-E275 HydrophobicContact CB-CG 3.67Å; A220-L279 HydrophobicContact CB-CD1 4.23Å; A220-L279 VanDerWaalsContact O-CD1 3.3Å; A220-L279 WeakPolarHBondContact O-CD1 3.43Å |
| 221 | Q | 96.8 | Very high | 96.9 | Very high | 86 Ų | 86 | 29.5 Ų | 29.5 | 40% | 0.402 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -66.5 | -42.2 | -179.8 | -176.6 | 56.9 | 30.7 | 0 | 0 | 111.4 | S218 L219 Y223 A224 E225 | S218-Q221 PolarHBondContact O-N 2.91Å; L219-Q221 VanDerWaalsContact C-N 3.33Å; L219-Q221 PolarHBondContact O-N 2.95Å; Q221-Y223 VanDerWaalsContact C-N 3.31Å; Q221-Y223 PolarHBondContact O-N 3.46Å; Q221-A224 PolarHBondContact O-N 3.23Å; Q221-E225 WeakPolarHBondContact CG-OE1 3.33Å; Q221-E225 PolarHBondContact NE2-OE1 2.81Å; Q221-E225 WeakPolarHBondContact O-CB 3.41Å; Q221-E225 WeakPolarHBondContact O-CG 3.35Å; Q221-E225 PolarHBondContact O-N 3.47Å |
| 222 | K | 98.3 | Very high | 96.9 | Very high | 54 Ų | 54 | 31.3 Ų | 31.3 | 24% | 0.235 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -58.7 | -42.2 | 173.7 | -72.4 | 170.6 | 177 | 164.5 | 0 | 111.6 | F157 L203 E211 S218 L219 E225 K226 | F157-K222 HydrophobicContact CE1-CB 3.89Å; F157-K222 HydrophobicContact CZ-CB 4.02Å; F157-K222 HydrophobicContact CZ-CD 4.5Å; L203-K222 HydrophobicContact CD2-CD 4.29Å; E211-K222 VanDerWaalsContact CD-NZ 3.34Å; E211-K222 IonicContact OE1-NZ 3.57Å; E211-K222 PolarHBondContact OE1-NZ 2.92Å; E211-K222 IonicContact OE2-NZ 3.55Å; E211-K222 PolarHBondContact OE2-NZ 3.28Å; S218-K222 WeakPolarHBondContact O-CG 3.37Å; S218-K222 PolarHBondContact O-N 3.14Å; S218-K222 WeakPolarHBondContact OG-CE 3.27Å; S218-K222 PolarHBondContact OG-NZ 3.09Å; L219-K222 PolarHBondContact O-N 2.91Å; K222-E225 PolarHBondContact O-N 2.88Å; K222-K226 WeakPolarHBondContact O-CB 3.33Å; K222-K226 VanDerWaalsContact O-CG 3.31Å; K222-K226 WeakPolarHBondContact O-CG 3.26Å; K222-K226 PolarHBondContact O-N 3.45Å |
| 223 | Y | 98.8 | Very high | 96.9 | Very high | 1 Ų | 1 | 37.1 Ų | 37.1 | 0% | 0.004 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.9 | -45.1 | 175.1 | -71.2 | -10.8 | 0 | 0 | 0 | 112.5 | I135 G136 F157 L203 L219 A220 Q221 E225 K226 A227 A248 | I135-Y223 HydrophobicContact CG2-CD1 3.68Å; I135-Y223 HydrophobicContact CG2-CE1 4.46Å; I135-Y223 HydrophobicContact CG2-CG 3.82Å; G136-Y223 VanDerWaalsContact CA-CZ 3.49Å; F157-Y223 AromaticContact CD1-CD1 3.82Å; F157-Y223 HydrophobicContact CD1-CD1 3.82Å; F157-Y223 AromaticContact CD1-CE1 4Å; F157-Y223 HydrophobicContact CD1-CE1 4Å; F157-Y223 AromaticContact CE1-CD1 3.78Å; F157-Y223 HydrophobicContact CE1-CD1 3.78Å; F157-Y223 AromaticContact CE1-CE1 3.98Å; F157-Y223 HydrophobicContact CE1-CE1 3.98Å; L203-Y223 HydrophobicContact CD1-CE1 4.32Å; L219-Y223 HydrophobicContact CD1-CD1 4.17Å; L219-Y223 HydrophobicContact CD1-CE1 3.51Å; L219-Y223 HydrophobicContact CD1-CE2 4.19Å; L219-Y223 HydrophobicContact CD2-CE2 4.13Å; L219-Y223 HydrophobicContact CG-CD2 4.36Å; L219-Y223 HydrophobicContact CG-CE1 4.08Å; L219-Y223 HydrophobicContact CG-CE2 3.82Å; L219-Y223 PolarHBondContact O-N 2.83Å; A220-Y223 PolarHBondContact O-N 2.77Å; Q221-Y223 VanDerWaalsContact C-N 3.31Å; Q221-Y223 PolarHBondContact O-N 3.46Å; Y223-E225 PolarHBondContact O-N 2.96Å; Y223-K226 PolarHBondContact O-N 2.89Å; Y223-A227 WeakPolarHBondContact O-CB 2.97Å; Y223-A227 PolarHBondContact O-N 3.4Å; Y223-A248 HydrophobicContact CE2-CB 4.24Å |
| 224 | A | 98.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -58.8 | -46.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | A220 Q221 A227 T228 L279 Q282 | A220-A224 PolarHBondContact O-N 2.96Å; Q221-A224 PolarHBondContact O-N 3.23Å; A224-A227 PolarHBondContact O-N 2.81Å; A224-T228 WeakPolarHBondContact O-CB 3.3Å; A224-T228 WeakPolarHBondContact O-CG2 3.39Å; A224-T228 PolarHBondContact O-N 2.8Å; A224-T228 PolarHBondContact O-OG1 2.81Å; A224-L279 HydrophobicContact CB-CG 4.17Å; A224-Q282 HydrophobicContact CB-CB 4.48Å |
| 225 | E | 98.7 | Very high | 96.9 | Very high | 85 Ų | 85 | 37.5 Ų | 37.5 | 40% | 0.397 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -61.2 | -50.2 | 178.4 | -74.5 | 170.6 | -168.3 | 0 | 0 | 112.1 | Q221 K222 Y223 A227 T228 Q229 | Q221-E225 WeakPolarHBondContact CG-OE1 3.33Å; Q221-E225 PolarHBondContact NE2-OE1 2.81Å; Q221-E225 WeakPolarHBondContact O-CB 3.41Å; Q221-E225 WeakPolarHBondContact O-CG 3.35Å; Q221-E225 PolarHBondContact O-N 3.47Å; K222-E225 PolarHBondContact O-N 2.88Å; Y223-E225 PolarHBondContact O-N 2.96Å; E225-A227 PolarHBondContact O-N 3.49Å; E225-T228 PolarHBondContact O-N 2.88Å; E225-T228 PolarHBondContact O-OG1 2.99Å; E225-Q229 WeakPolarHBondContact O-CB 3.35Å; E225-Q229 WeakPolarHBondContact O-CG 3.43Å; E225-Q229 PolarHBondContact O-N 2.93Å |
| 226 | K | 98.8 | Very high | 96.9 | Very high | 39 Ų | 39 | 39.4 Ų | 39.4 | 17% | 0.17 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -67.3 | -38.4 | -179.3 | -65.9 | -61.7 | -159.5 | 164.4 | 0 | 112.3 | I135 Y155 F157 E205 K222 Y223 F230 | I135-K226 HydrophobicContact CD1-CB 3.8Å; Y155-K226 WeakPolarHBondContact OH-CD 3.46Å; F157-K226 HydrophobicContact CB-CB 4.41Å; F157-K226 HydrophobicContact CB-CG 4.33Å; F157-K226 HydrophobicContact CD1-CB 4.08Å; F157-K226 HydrophobicContact CD1-CG 3.67Å; F157-K226 HydrophobicContact CD2-CD 4.35Å; F157-K226 HydrophobicContact CD2-CG 4.01Å; F157-K226 HydrophobicContact CE1-CG 3.86Å; F157-K226 HydrophobicContact CE2-CG 4.18Å; F157-K226 HydrophobicContact CG-CB 4.25Å; F157-K226 HydrophobicContact CG-CD 4.46Å; F157-K226 HydrophobicContact CG-CG 3.74Å; F157-K226 HydrophobicContact CZ-CG 4.09Å; E205-K226 IonicContact OE1-NZ 3.39Å; E205-K226 PolarHBondContact OE1-NZ 3.08Å; E205-K226 IonicContact OE2-NZ 2.77Å; E205-K226 PolarHBondContact OE2-NZ 2.9Å; K222-K226 WeakPolarHBondContact O-CB 3.33Å; K222-K226 VanDerWaalsContact O-CG 3.31Å; K222-K226 WeakPolarHBondContact O-CG 3.26Å; K222-K226 PolarHBondContact O-N 3.45Å; Y223-K226 PolarHBondContact O-N 2.89Å; K226-F230 WeakPolarHBondContact O-CB 3.44Å; K226-F230 PolarHBondContact O-N 2.7Å |
| 227 | A | 98.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.3 | -46.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | I135 Y223 A224 E225 F230 I231 L243 I283 | I135-A227 HydrophobicContact CG1-CB 4.29Å; Y223-A227 WeakPolarHBondContact O-CB 2.97Å; Y223-A227 PolarHBondContact O-N 3.4Å; A224-A227 PolarHBondContact O-N 2.81Å; E225-A227 PolarHBondContact O-N 3.49Å; A227-F230 PolarHBondContact O-N 3.17Å; A227-I231 WeakPolarHBondContact O-CD1 3.38Å; A227-I231 WeakPolarHBondContact O-CG1 3.48Å; A227-I231 PolarHBondContact O-N 2.86Å; A227-L243 HydrophobicContact CB-CD2 4.08Å; A227-I283 HydrophobicContact CB-CD1 3.78Å; A227-I283 HydrophobicContact CB-CG1 3.86Å |
| 228 | T | 98.7 | Very high | 96.9 | Very high | 26 Ų | 26 | 42.2 Ų | 42.2 | 16% | 0.16 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -70 | -34.9 | -179.1 | 58.2 | 0 | 0 | 0 | 0 | 112.8 | A224 E225 Q232 K286 | A224-T228 WeakPolarHBondContact O-CB 3.3Å; A224-T228 WeakPolarHBondContact O-CG2 3.39Å; A224-T228 PolarHBondContact O-N 2.8Å; A224-T228 PolarHBondContact O-OG1 2.81Å; E225-T228 PolarHBondContact O-N 2.88Å; E225-T228 PolarHBondContact O-OG1 2.99Å; T228-Q232 WeakPolarHBondContact O-CB 3.26Å; T228-Q232 PolarHBondContact O-N 3.14Å; T228-Q232 VanDerWaalsContact O-N 3.08Å; T228-K286 HydrophobicContact CG2-CB 3.7Å; T228-K286 HydrophobicContact CG2-CG 4.01Å |
| 229 | Q | 98.6 | Very high | 96.9 | Very high | 90 Ų | 90 | 46.9 Ų | 46.9 | 42% | 0.421 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -63.2 | -46.8 | 170.6 | -74.5 | 171.8 | 11.2 | 0 | 0 | 111.4 | E225 I231 Q232 Q233 | E225-Q229 WeakPolarHBondContact O-CB 3.35Å; E225-Q229 WeakPolarHBondContact O-CG 3.43Å; E225-Q229 PolarHBondContact O-N 2.93Å; Q229-I231 PolarHBondContact O-N 3.39Å; Q229-Q232 PolarHBondContact O-N 2.87Å; Q229-Q233 WeakPolarHBondContact O-CB 3.44Å; Q229-Q233 VanDerWaalsContact O-CG 3.31Å; Q229-Q233 WeakPolarHBondContact O-CG 3.29Å; Q229-Q233 PolarHBondContact O-N 2.99Å |
| 230 | F | 98.8 | Very high | 97 | Very high | 12 Ų | 12 | 47.4 Ų | 47.4 | 5% | 0.053 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -58.1 | -50 | 176.6 | 177.8 | -87.7 | 0 | 0 | 0 | 111.3 | I131 G133 Y155 K226 A227 Q232 Q233 A234 F241 L243 | I131-F230 HydrophobicContact CG2-CE2 3.86Å; I131-F230 HydrophobicContact CG2-CZ 3.86Å; G133-F230 VanDerWaalsContact CA-CE2 3.48Å; Y155-F230 HydrophobicContact CD1-CD2 4.07Å; Y155-F230 HydrophobicContact CG-CD2 4.48Å; K226-F230 WeakPolarHBondContact O-CB 3.44Å; K226-F230 PolarHBondContact O-N 2.7Å; A227-F230 PolarHBondContact O-N 3.17Å; F230-Q232 VanDerWaalsContact C-N 3.28Å; F230-Q232 PolarHBondContact O-N 3.45Å; F230-Q233 PolarHBondContact O-N 2.88Å; F230-A234 HydrophobicContact CD1-CB 4.43Å; F230-A234 HydrophobicContact CE1-CB 4.14Å; F230-A234 HydrophobicContact CZ-CB 4.36Å; F230-A234 WeakPolarHBondContact O-CB 3.5Å; F230-A234 PolarHBondContact O-N 3.49Å; F230-F241 HydrophobicContact CE1-CB 4.07Å; F230-F241 AromaticContact CE1-CD2 3.96Å; F230-F241 HydrophobicContact CE1-CD2 3.96Å; F230-F241 HydrophobicContact CE1-CG 4.21Å; F230-F241 HydrophobicContact CZ-CB 4.33Å; F230-L243 HydrophobicContact CD1-CB 4.01Å; F230-L243 HydrophobicContact CD1-CD1 3.71Å; F230-L243 HydrophobicContact CD1-CD2 4.16Å; F230-L243 HydrophobicContact CD1-CG 4.16Å; F230-L243 HydrophobicContact CE1-CB 3.87Å; F230-L243 HydrophobicContact CE1-CD1 4.09Å; F230-L243 HydrophobicContact CE1-CG 4.45Å; F230-L243 HydrophobicContact CG-CD1 4.11Å |
| 231 | I | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -57.5 | -44.3 | 178.9 | -69 | 159.7 | 0 | 0 | 0 | 110.7 | A227 Q229 S235 F241 L243 I283 K286 V287 T290 | A227-I231 WeakPolarHBondContact O-CD1 3.38Å; A227-I231 WeakPolarHBondContact O-CG1 3.48Å; A227-I231 PolarHBondContact O-N 2.86Å; Q229-I231 PolarHBondContact O-N 3.39Å; I231-S235 WeakPolarHBondContact O-CB 3.16Å; I231-S235 PolarHBondContact O-N 2.92Å; I231-S235 PolarHBondContact O-OG 2.81Å; I231-F241 HydrophobicContact CG1-CE2 4.32Å; I231-F241 HydrophobicContact CG1-CZ 4.37Å; I231-F241 HydrophobicContact CG2-CZ 4.14Å; I231-L243 HydrophobicContact CD1-CD2 3.84Å; I231-L243 HydrophobicContact CG1-CD2 3.76Å; I231-I283 HydrophobicContact CD1-CG2 3.98Å; I231-K286 HydrophobicContact CB-CG 4Å; I231-K286 HydrophobicContact CD1-CG 4.27Å; I231-K286 HydrophobicContact CG2-CG 3.86Å; I231-V287 HydrophobicContact CD1-CG2 3.84Å; I231-V287 HydrophobicContact CG1-CG2 4.49Å; I231-V287 HydrophobicContact CG2-CG2 4.34Å; I231-T290 WeakPolarHBondContact CG2-OG1 3.3Å |
| 232 | Q | 97.8 | Very high | 97.3 | Very high | 81 Ų | 81 | 43.1 Ų | 43.1 | 38% | 0.379 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -62.5 | -49.1 | 179.4 | -176.2 | 62.6 | 66.3 | 0 | 0 | 111.9 | T228 Q229 F230 T236 | T228-Q232 WeakPolarHBondContact O-CB 3.26Å; T228-Q232 PolarHBondContact O-N 3.14Å; T228-Q232 VanDerWaalsContact O-N 3.08Å; Q229-Q232 PolarHBondContact O-N 2.87Å; F230-Q232 VanDerWaalsContact C-N 3.28Å; F230-Q232 PolarHBondContact O-N 3.45Å; Q232-T236 WeakPolarHBondContact O-CG2 3.46Å; Q232-T236 PolarHBondContact O-N 2.77Å; Q232-T236 PolarHBondContact O-OG1 3.5Å |
| 233 | Q | 97.4 | Very high | 97.3 | Very high | 128 Ų | 128 | 40.6 Ų | 40.6 | 60% | 0.598 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -69.1 | -42.2 | -178 | -69.7 | 173 | -1.2 | 0 | 0 | 112.2 | Q229 F230 S235 T236 S237 | Q229-Q233 WeakPolarHBondContact O-CB 3.44Å; Q229-Q233 VanDerWaalsContact O-CG 3.31Å; Q229-Q233 WeakPolarHBondContact O-CG 3.29Å; Q229-Q233 PolarHBondContact O-N 2.99Å; F230-Q233 PolarHBondContact O-N 2.88Å; Q233-S235 VanDerWaalsContact C-N 3.33Å; Q233-S235 PolarHBondContact O-N 2.78Å; Q233-T236 PolarHBondContact O-N 3.42Å; Q233-T236 PolarHBondContact O-OG1 3.24Å; Q233-S237 PolarHBondContact O-N 3.22Å |
| 234 | A | 96.7 | Very high | 97.3 | Very high | 3 Ų | 3 | 40.6 Ų | 40.6 | 3% | 0.025 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -65.7 | -40.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | I131 F230 T236 S237 F241 | I131-A234 HydrophobicContact CD1-CB 4.37Å; F230-A234 HydrophobicContact CD1-CB 4.43Å; F230-A234 HydrophobicContact CE1-CB 4.14Å; F230-A234 HydrophobicContact CZ-CB 4.36Å; F230-A234 WeakPolarHBondContact O-CB 3.5Å; F230-A234 PolarHBondContact O-N 3.49Å; A234-T236 VanDerWaalsContact C-N 3.34Å; A234-T236 PolarHBondContact O-N 3.5Å; A234-S237 WeakPolarHBondContact O-CB 3.39Å; A234-S237 PolarHBondContact O-N 3.48Å; A234-S237 PolarHBondContact O-OG 2.89Å; A234-F241 HydrophobicContact CB-CB 3.7Å; A234-F241 HydrophobicContact CB-CD1 3.73Å; A234-F241 HydrophobicContact CB-CG 3.84Å |
| 235 | S | 94.8 | Very high | 97.3 | Very high | 20 Ų | 20 | 40.6 Ų | 40.6 | 14% | 0.14 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.6 | -36 | 177.4 | -63.3 | 0 | 0 | 0 | 0 | 113.2 | I231 Q233 S237 | I231-S235 WeakPolarHBondContact O-CB 3.16Å; I231-S235 PolarHBondContact O-N 2.92Å; I231-S235 PolarHBondContact O-OG 2.81Å; Q233-S235 VanDerWaalsContact C-N 3.33Å; Q233-S235 PolarHBondContact O-N 2.78Å; S235-S237 VanDerWaalsContact C-N 3.32Å |
| 236 | T | 94.5 | Very high | 97.3 | Very high | 106 Ų | 106 | 36.6 Ų | 36.6 | 65% | 0.65 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -76.4 | -18.1 | 177.8 | 56.5 | 0 | 0 | 0 | 0 | 113.4 | Q232 Q233 A234 G238 | Q232-T236 WeakPolarHBondContact O-CG2 3.46Å; Q232-T236 PolarHBondContact O-N 2.77Å; Q232-T236 PolarHBondContact O-OG1 3.5Å; Q233-T236 PolarHBondContact O-N 3.42Å; Q233-T236 PolarHBondContact O-OG1 3.24Å; A234-T236 VanDerWaalsContact C-N 3.34Å; A234-T236 PolarHBondContact O-N 3.5Å; T236-G238 PolarHBondContact O-N 2.66Å |
| 237 | S | 93.9 | Very high | 97.3 | Very high | 55 Ų | 55 | 34.7 Ų | 34.7 | 39% | 0.385 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -17.5 | 179 | 80 | 0 | 0 | 0 | 0 | 114.5 | I131 Q233 A234 S235 R239 | I131-S237 WeakPolarHBondContact CD1-OG 3.43Å; Q233-S237 PolarHBondContact O-N 3.22Å; A234-S237 WeakPolarHBondContact O-CB 3.39Å; A234-S237 PolarHBondContact O-N 3.48Å; A234-S237 PolarHBondContact O-OG 2.89Å; S235-S237 VanDerWaalsContact C-N 3.32Å; S237-R239 PolarHBondContact O-N 3.3Å; S237-R239 PolarHBondContact OG-N 3.1Å; S237-R239 VanDerWaalsContact OG-N 3.12Å |
| 238 | G | 89.6 | Confident | 97.1 | Very high | 57 Ų | 57 | 35 Ų | 35 | 59% | 0.588 | 19% | 0.194 | S | C | * | . | S | Bend | trans | 75.9 | -5.6 | -172.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | T236 | T236-G238 PolarHBondContact O-N 2.66Š|
| 239 | R | 95.1 | Very high | 97 | Very high | 128 Ų | 128 | 34.1 Ų | 34.1 | 48% | 0.483 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -88.5 | 151.6 | 173.6 | -65 | -168 | -71 | 167.2 | -3.9 | 111.3 | I131 S237 | I131-R239 HydrophobicContact CD1-CB 4.12Å; I131-R239 HydrophobicContact CG1-CB 4.08Å; I131-R239 VanDerWaalsContact CG1-CZ 3.4Å; I131-R239 VanDerWaalsContact CG1-NH2 3.34Å; S237-R239 PolarHBondContact O-N 3.3Å; S237-R239 PolarHBondContact OG-N 3.1Å; S237-R239 VanDerWaalsContact OG-N 3.12Å |
| 240 | P | 98.2 | Very high | 96.9 | Very high | 20 Ų | 20 | 30 Ų | 30 | 13% | 0.13 | 17% | 0.169 | C | C | . | . | trans | -69.6 | 157.7 | 169.6 | 34.4 | -37 | 0 | 0 | 0 | 110.2 | K35 N37 Y130 I131 | K35-P240 HydrophobicContact CB-CB 4.1Å; K35-P240 HydrophobicContact CB-CG 4.1Å; K35-P240 HydrophobicContact CD-CG 4.48Å; N37-P240 WeakPolarHBondContact OD1-CA 3.48Å; Y130-P240 VanDerWaalsContact CA-O 3.3Å; Y130-P240 WeakPolarHBondContact CA-O 3.43Å; Y130-P240 HydrophobicContact CD1-CB 3.86Å; Y130-P240 HydrophobicContact CD1-CG 4.03Å; Y130-P240 HydrophobicContact CD2-CG 3.89Å; Y130-P240 HydrophobicContact CE1-CB 3.58Å; Y130-P240 HydrophobicContact CE1-CG 4Å; Y130-P240 HydrophobicContact CE2-CB 4.29Å; Y130-P240 HydrophobicContact CE2-CG 3.86Å; Y130-P240 HydrophobicContact CG-CB 4.3Å; Y130-P240 HydrophobicContact CG-CG 3.95Å; I131-P240 PolarHBondContact N-O 3.01Å | ||
| 241 | F | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 151.3 | -179.1 | 67.4 | -101.1 | 0 | 0 | 0 | 114.1 | N37 F38 V39 I131 F230 I231 A234 L243 T295 | N37-F241 CarbonylContact C-O 3.52Å; N37-F241 WeakPolarHBondContact CA-O 3.4Å; N37-F241 HydrophobicContact CB-CD1 3.9Å; N37-F241 HydrophobicContact CB-CD2 4.1Å; N37-F241 HydrophobicContact CB-CE1 3.65Å; N37-F241 HydrophobicContact CB-CE2 3.85Å; N37-F241 HydrophobicContact CB-CG 4.12Å; N37-F241 HydrophobicContact CB-CZ 3.61Å; N37-F241 WeakPolarHBondContact ND2-CE1 3.36Å; N37-F241 WeakPolarHBondContact OD1-CD1 3.23Å; N37-F241 PolarHBondContact OD1-N 3.48Å; F38-F241 PolarHBondContact N-O 2.87Å; V39-F241 HydrophobicContact CG2-CE2 3.8Å; I131-F241 HydrophobicContact CB-CB 4.32Å; I131-F241 CarbonylContact O-C 3.53Å; I131-F241 WeakPolarHBondContact O-CA 3.2Å; I131-F241 WeakPolarHBondContact O-CB 3.41Å; F230-F241 HydrophobicContact CE1-CB 4.07Å; F230-F241 AromaticContact CE1-CD2 3.96Å; F230-F241 HydrophobicContact CE1-CD2 3.96Å; F230-F241 HydrophobicContact CE1-CG 4.21Å; F230-F241 HydrophobicContact CZ-CB 4.33Å; I231-F241 HydrophobicContact CG1-CE2 4.32Å; I231-F241 HydrophobicContact CG1-CZ 4.37Å; I231-F241 HydrophobicContact CG2-CZ 4.14Å; A234-F241 HydrophobicContact CB-CB 3.7Å; A234-F241 HydrophobicContact CB-CD1 3.73Å; A234-F241 HydrophobicContact CB-CG 3.84Å; F241-L243 HydrophobicContact CD2-CB 4.39Å; F241-T295 HydrophobicContact CZ-CG2 4.31Å |
| 242 | L | 98.9 | Very high | 96.6 | Very high | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 125.5 | 163.3 | 168 | 68.2 | 0 | 0 | 0 | 107.3 | F38 I40 A122 L125 I131 T132 G133 F153 | F38-L242 HydrophobicContact CB-CD1 3.92Å; F38-L242 CarbonylContact O-C 3.57Å; F38-L242 WeakPolarHBondContact O-CA 3.01Å; I40-L242 HydrophobicContact CD1-CD1 3.85Å; I40-L242 HydrophobicContact CG1-CD1 4.36Å; A122-L242 HydrophobicContact CB-CD2 4.13Å; L125-L242 HydrophobicContact CD1-CB 3.77Å; L125-L242 HydrophobicContact CD1-CD1 4.15Å; L125-L242 HydrophobicContact CD1-CD2 3.89Å; L125-L242 HydrophobicContact CD1-CG 4.11Å; I131-L242 PolarHBondContact O-N 3.04Å; T132-L242 CarbonylContact C-O 3.54Å; T132-L242 WeakPolarHBondContact CA-O 3.4Å; T132-L242 HydrophobicContact CG2-CB 4.27Å; T132-L242 HydrophobicContact CG2-CD2 4.4Å; G133-L242 PolarHBondContact N-O 2.76Å; F153-L242 HydrophobicContact CE1-CD2 4.2Å |
| 243 | L | 98.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 115.3 | 165.5 | -179.6 | 60.5 | 0 | 0 | 0 | 109.1 | F38 V39 I40 G133 I135 A227 F230 I231 F241 V245 | F38-L243 PolarHBondContact O-N 3.13Å; V39-L243 CarbonylContact C-O 3.56Å; V39-L243 WeakPolarHBondContact CA-O 3.39Å; V39-L243 HydrophobicContact CG1-CD2 4.47Å; V39-L243 HydrophobicContact CG2-CB 4.26Å; I40-L243 PolarHBondContact N-O 3.47Å; G133-L243 WeakPolarHBondContact O-CA 3.39Å; I135-L243 HydrophobicContact CG1-CD1 3.81Å; A227-L243 HydrophobicContact CB-CD2 4.08Å; F230-L243 HydrophobicContact CD1-CB 4.01Å; F230-L243 HydrophobicContact CD1-CD1 3.71Å; F230-L243 HydrophobicContact CD1-CD2 4.16Å; F230-L243 HydrophobicContact CD1-CG 4.16Å; F230-L243 HydrophobicContact CE1-CB 3.87Å; F230-L243 HydrophobicContact CE1-CD1 4.09Å; F230-L243 HydrophobicContact CE1-CG 4.45Å; F230-L243 HydrophobicContact CG-CD1 4.11Å; I231-L243 HydrophobicContact CD1-CD2 3.84Å; I231-L243 HydrophobicContact CG1-CD2 3.76Å; F241-L243 HydrophobicContact CD2-CB 4.39Å; L243-V245 HydrophobicContact CD1-CG2 4.27Å; L243-V245 HydrophobicContact CD2-CG2 3.84Å; L243-V245 HydrophobicContact CG-CG2 3.63Å |
| 244 | Y | 98.9 | Very high | 96.2 | Very high | 2 Ų | 2 | 20.4 Ų | 20.4 | 1% | 0.008 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 111.1 | 172.2 | 176.1 | -131.9 | 0 | 0 | 0 | 109.6 | I40 L42 L91 L92 G133 M134 I135 F153 A246 | I40-Y244 HydrophobicContact CB-CD2 4.23Å; I40-Y244 HydrophobicContact CG2-CD2 4.16Å; I40-Y244 HydrophobicContact CG2-CE2 4.47Å; I40-Y244 CarbonylContact O-C 3.53Å; I40-Y244 WeakPolarHBondContact O-CA 3.1Å; L42-Y244 HydrophobicContact CB-CE2 3.99Å; L42-Y244 HydrophobicContact CD2-CE2 4.24Å; L42-Y244 WeakPolarHBondContact CD2-OH 3.45Å; L91-Y244 HydrophobicContact CD1-CE2 4.24Å; L91-Y244 HydrophobicContact CD2-CE2 4.16Å; L92-Y244 HydrophobicContact CD1-CE1 4.29Å; L92-Y244 HydrophobicContact CD2-CD1 4.35Å; L92-Y244 HydrophobicContact CD2-CE1 4.28Å; G133-Y244 PolarHBondContact O-N 3Å; M134-Y244 CarbonylContact C-O 3.56Å; M134-Y244 VanDerWaalsContact CA-O 3.29Å; M134-Y244 WeakPolarHBondContact CA-O 3.34Å; M134-Y244 HydrophobicContact CE-CD1 4.1Å; M134-Y244 HydrophobicContact CE-CE1 3.87Å; M134-Y244 HydrophobicContact CG-CD1 3.92Å; M134-Y244 HydrophobicContact SD-CD1 3.85Å; M134-Y244 HydrophobicContact SD-CE1 4.1Å; I135-Y244 PolarHBondContact N-O 3.08Å; F153-Y244 HydrophobicContact CE1-CD1 4.39Å; F153-Y244 AromaticContact CZ-CD1 3.8Å; F153-Y244 HydrophobicContact CZ-CD1 3.8Å; F153-Y244 HydrophobicContact CZ-CG 4.36Å; Y244-A246 HydrophobicContact CD1-CB 4.44Å; Y244-A246 HydrophobicContact CE1-CB 3.84Å; Y244-A246 HydrophobicContact CE2-CB 4.23Å |
| 245 | V | 98.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 95.3 | -177.7 | -169.1 | 0 | 0 | 0 | 0 | 108.5 | I40 I41 L42 I135 L243 L247 I283 | I40-V245 PolarHBondContact O-N 3.18Å; I41-V245 CarbonylContact C-O 3.17Å; I41-V245 WeakPolarHBondContact CA-O 3.37Å; I41-V245 HydrophobicContact CG1-CB 4.21Å; I41-V245 HydrophobicContact CG1-CG2 4.42Å; I41-V245 HydrophobicContact CG2-CB 4.44Å; L42-V245 PolarHBondContact N-O 3.29Å; I135-V245 HydrophobicContact CB-CG1 4.46Å; I135-V245 CarbonylContact O-C 3.54Å; I135-V245 WeakPolarHBondContact O-CA 3.48Å; L243-V245 HydrophobicContact CD1-CG2 4.27Å; L243-V245 HydrophobicContact CD2-CG2 3.84Å; L243-V245 HydrophobicContact CG-CG2 3.63Å; V245-L247 HydrophobicContact CG1-CD2 3.59Å; V245-L247 HydrophobicContact CG1-CG 4.41Å; V245-I283 HydrophobicContact CG1-CD1 3.89Å; V245-I283 HydrophobicContact CG2-CD1 4.13Å |
| 246 | A | 98.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 91.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | L42 M134 I135 G136 K137 Y244 | L42-A246 CarbonylContact O-C 3.5Å; M134-A246 HydrophobicContact CE-CB 3.94Å; I135-A246 PolarHBondContact O-N 2.85Å; G136-A246 CarbonylContact C-O 3.55Å; G136-A246 WeakPolarHBondContact CA-O 3.09Å; K137-A246 PolarHBondContact N-O 2.85Å; K137-A246 WeakPolarHBondContact O-CB 3.43Å; Y244-A246 HydrophobicContact CD1-CB 4.44Å; Y244-A246 HydrophobicContact CE1-CB 3.84Å; Y244-A246 HydrophobicContact CE2-CB 4.23Å |
| 247 | L | 98 | Very high | 93 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 12% | 0.12 | C | C | . | . | trans | -64.4 | 152.5 | -171.7 | -55.3 | 177.1 | 0 | 0 | 0 | 111.7 | I41 L42 V245 H249 M276 L279 V280 | I41-L247 HydrophobicContact CG2-CD1 3.91Å; I41-L247 HydrophobicContact CG2-CG 4.24Å; L42-L247 PolarHBondContact O-N 3.37Å; V245-L247 HydrophobicContact CG1-CD2 3.59Å; V245-L247 HydrophobicContact CG1-CG 4.41Å; L247-H249 HydrophobicContact CB-CB 4.37Å; L247-M276 HydrophobicContact CD1-CG 3.61Å; L247-M276 HydrophobicContact CD1-SD 4.13Å; L247-L279 HydrophobicContact CD2-CD1 3.92Å; L247-L279 HydrophobicContact CD2-CD2 3.56Å; L247-L279 HydrophobicContact CD2-CG 4.46Å; L247-V280 HydrophobicContact CD1-CG2 4.15Å | ||
| 248 | A | 95.8 | Very high | 91.1 | Very high | 5 Ų | 5 | 26.6 Ų | 26.6 | 4% | 0.041 | 15% | 0.146 | C | C | . | . | trans | -81.4 | -30.3 | 165 | 0 | 0 | 0 | 0 | 0 | 110.6 | I159 H163 L219 Y223 H251 | I159-A248 HydrophobicContact CD1-CB 4.11Å; H163-A248 PolarHBondContact CE1-O 2.84Å; L219-A248 HydrophobicContact CD2-CB 4.28Å; Y223-A248 HydrophobicContact CE2-CB 4.24Å; A248-H251 WeakPolarHBondContact O-CB 3.44Å; A248-H251 PolarHBondContact O-N 3.17Å; A248-H251 VanDerWaalsContact O-N 3.07Å | ||
| 249 | H | 96.3 | Very high | 89.5 | Confident | 9 Ų | 9 | 27.9 Ų | 27.9 | 4% | 0.042 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | 139.2 | 166.9 | -65.6 | 78.9 | 0 | 0 | 0 | 110.6 | D44 L247 G272 E275 M276 | D44-H249 WeakPolarHBondContact CB-O 3.45Å; D44-H249 PolarHBondContact N-O 2.93Å; D44-H249 CarbonylContact O-C 3.46Å; L247-H249 HydrophobicContact CB-CB 4.37Å; H249-G272 PolarHBondContact CD2-O 3.25Å; H249-E275 IonicContact CD2-OE2 3.95Å; H249-E275 IonicContact CE1-OE2 3.64Å; H249-E275 PolarHBondContact CE1-OE2 3.21Å; H249-E275 IonicContact NE2-OE2 3.72Å; H249-E275 PolarHBondContact NE2-OE2 3.4Å; H249-M276 HydrophobicContact CB-CB 3.74Å; H249-M276 HydrophobicContact CB-CG 3.6Å; H249-M276 HydrophobicContact CB-SD 3.92Å |
| 250 | M | 96.3 | Very high | 87.3 | Confident | 3 Ų | 3 | 25.9 Ų | 25.9 | 2% | 0.015 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -103.6 | 21.6 | 4.1 | -71.7 | -58.5 | -58.9 | 0 | 0 | 113.5 | D44 L254 Y269 G272 L273 M276 | D44-M250 CarbonylContact O-C 3.47Å; D44-M250 WeakPolarHBondContact O-CA 3.41Å; D44-M250 PolarHBondContact O-N 2.81Å; M250-L254 HydrophobicContact CE-CD2 4.05Å; M250-Y269 HydrophobicContact CB-CE2 3.79Å; M250-Y269 HydrophobicContact CE-CD1 4.33Å; M250-Y269 HydrophobicContact CE-CD2 3.68Å; M250-Y269 HydrophobicContact CE-CE1 4.16Å; M250-Y269 HydrophobicContact CE-CE2 3.52Å; M250-Y269 HydrophobicContact CE-CG 4.11Å; M250-Y269 VanDerWaalsContact CE-O 3.31Å; M250-Y269 WeakPolarHBondContact CE-O 3.34Å; M250-Y269 HydrophobicContact CG-CE2 4.28Å; M250-G272 VanDerWaalsContact CE-C 3.49Å; M250-L273 HydrophobicContact CE-CB 4.06Å; M250-L273 VanDerWaalsContact CE-N 3.3Å; M250-L273 HydrophobicContact CG-CD1 4.25Å; M250-L273 HydrophobicContact SD-CB 4.27Å; M250-L273 HydrophobicContact SD-CD1 4.31Å; M250-M276 HydrophobicContact CG-SD 3.8Å; M250-M276 HydrophobicContact SD-CB 4.07Å; M250-M276 HydrophobicContact SD-SD 4.16Å |
| 251 | H | 97.2 | Very high | 84.9 | Confident | 5 Ų | 5 | 30.5 Ų | 30.5 | 2% | 0.023 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -64.7 | 146.1 | 179.7 | -162.5 | -73.8 | 0 | 0 | 0 | 110.7 | D44 D45 H163 D164 A248 W306 K333 | D44-H251 HydrophobicContact CB-CB 3.98Å; D44-H251 PolarHBondContact O-N 2.96Å; D44-H251 IonicContact OD1-CD2 3.92Å; D44-H251 VanDerWaalsContact OD2-CB 3.23Å; D44-H251 WeakPolarHBondContact OD2-CB 3.44Å; D44-H251 IonicContact OD2-CD2 2.73Å; D44-H251 IonicContact OD2-CG 2.72Å; D45-H251 VanDerWaalsContact CG-CD2 3.44Å; D45-H251 IonicContact OD1-CD2 3.79Å; D45-H251 IonicContact OD2-CD2 3.23Å; D45-H251 PolarHBondContact OD2-CD2 3.29Å; D45-H251 IonicContact OD2-CG 3.79Å; D45-H251 IonicContact OD2-NE2 3.54Å; H163-H251 PolarHBondContact CE1-O 2.93Å; H163-H251 PolarHBondContact NE2-O 2.81Å; D164-H251 VanDerWaalsContact CG-CE1 3.5Å; D164-H251 IonicContact OD1-CE1 3.17Å; D164-H251 PolarHBondContact OD1-CE1 3.27Å; D164-H251 VanDerWaalsContact OD1-CE1 3.23Å; D164-H251 IonicContact OD1-ND1 3.07Å; D164-H251 IonicContact OD2-CE1 3.54Å; A248-H251 WeakPolarHBondContact O-CB 3.44Å; A248-H251 PolarHBondContact O-N 3.17Å; A248-H251 VanDerWaalsContact O-N 3.07Å; H251-W306 AromaticContact CE1-CE3 3.9Å; H251-W306 AromaticContact CE1-CZ3 3.43Å; H251-W306 VanDerWaalsContact CE1-CZ3 3.43Å; H251-W306 WeakPolarHBondContact CE1-CZ3 3.3Å; H251-W306 AromaticContact NE2-CE3 3.91Å; H251-W306 AromaticContact NE2-CZ3 3.74Å; H251-K333 PolarHBondContact CD2-NZ 3.4Å; H251-K333 PolarHBondContact NE2-NZ 3.29Å |
| 252 | V | 93.5 | Very high | 82.3 | Confident | 3 Ų | 3 | 33.1 Ų | 33.1 | 2% | 0.018 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -76.3 | 156 | 174 | -66.2 | 0 | 0 | 0 | 0 | 110.7 | H163 N174 L254 W306 K309 L312 | H163-V252 PolarHBondContact NE2-O 3.09Å; N174-V252 WeakPolarHBondContact OD1-CG2 3.43Å; V252-L254 HydrophobicContact CG1-CG 4.43Å; V252-W306 HydrophobicContact CG2-CE3 3.92Å; V252-W306 HydrophobicContact CG2-CZ3 3.89Å; V252-K309 HydrophobicContact CG1-CB 4.02Å; V252-K309 HydrophobicContact CG1-CG 4.09Å; V252-K309 HydrophobicContact CG2-CB 4.5Å; V252-K309 HydrophobicContact CG2-CD 3.73Å; V252-K309 HydrophobicContact CG2-CG 3.66Å; V252-L312 HydrophobicContact CG1-CB 3.86Å |
| 253 | P | 94.4 | Very high | 79.8 | Confident | 9 Ų | 9 | 38.3 Ų | 38.3 | 6% | 0.058 | 24% | 0.238 | C | C | . | . | S | Bend | cis | -67.2 | 142.2 | -5.1 | 26 | -34.3 | 0 | 0 | 0 | 113.5 | H163 P171 Y173 N174 L216 | H163-P253 VanDerWaalsContact CD2-CD 3.44Å; H163-P253 WeakPolarHBondContact CD2-CD 3.47Å; H163-P253 PolarHBondContact CD2-O 3.12Å; H163-P253 PolarHBondContact NE2-O 2.88Å; P171-P253 WeakPolarHBondContact O-CB 3.39Å; Y173-P253 CarbonylContact O-C 3.52Å; Y173-P253 WeakPolarHBondContact O-CA 3.33Å; N174-P253 HydrophobicContact CB-CB 4.21Å; L216-P253 HydrophobicContact CD1-CG 3.76Å |
| 254 | L | 92.3 | Very high | 77.3 | Confident | 3 Ų | 3 | 50.4 Ų | 50.4 | 2% | 0.016 | 28% | 0.283 | C | S | . | . | B | Isolated β-bridge | trans | -78.4 | 135.3 | 172.8 | -59.5 | -178.8 | 0 | 0 | 0 | 109.9 | G172 Y173 M250 V252 L268 Y269 L312 | G172-L254 CarbonylContact C-O 3.57Å; G172-L254 WeakPolarHBondContact CA-O 3.28Å; Y173-L254 PolarHBondContact N-O 3.17Å; Y173-L254 PolarHBondContact O-N 3.34Å; M250-L254 HydrophobicContact CE-CD2 4.05Å; V252-L254 HydrophobicContact CG1-CG 4.43Å; L254-L268 HydrophobicContact CD1-CB 4.46Å; L254-Y269 HydrophobicContact CD1-CD2 4.33Å; L254-L312 HydrophobicContact CD1-CB 4.22Å; L254-L312 HydrophobicContact CD1-CD2 4.06Å |
| 255 | P | 85.3 | Confident | 75.2 | Confident | 13 Ų | 13 | 52.4 Ų | 52.4 | 8% | 0.084 | 31% | 0.305 | C | S | . | . | P | Polyproline II helix | trans | -58.1 | 153.3 | -179.9 | -23.8 | 32.9 | 0 | 0 | 0 | 113.7 | L216 T257 | L216-P255 HydrophobicContact CB-CB 4.48Å; L216-P255 HydrophobicContact CB-CG 4.45Å; P255-T257 PolarHBondContact O-N 3.08Å |
| 256 | V | 71.3 | Confident | 73.3 | Confident | 70 Ų | 70 | 61.6 Ų | 61.6 | 42% | 0.424 | 34% | 0.339 | S | S | . | . | trans | -79 | 87.2 | 174.1 | -174 | 0 | 0 | 0 | 0 | 109.2 | Y173 S217 | Y173-V256 HydrophobicContact CE2-CB 4.39Å; Y173-V256 HydrophobicContact CE2-CG1 4.34Å; Y173-V256 HydrophobicContact CE2-CG2 4.19Å; S217-V256 PolarHBondContact OG-O 3.06Å | ||
| 257 | T | 62.8 | Low | 72.1 | Confident | 34 Ų | 34 | 65.9 Ų | 65.9 | 21% | 0.209 | 36% | 0.356 | C | S | . | . | trans | -85.5 | 141.8 | 171 | 59.4 | 0 | 0 | 0 | 0 | 110.5 | P255 L259 | P255-T257 PolarHBondContact O-N 3.08Å; T257-L259 PolarHBondContact O-N 3.29Å; T257-L259 VanDerWaalsContact O-N 3.08Å | ||
| 258 | Q | 54.4 | Low | 71.6 | Confident | 197 Ų | 197 | 67.6 Ų | 67.6 | 92% | 0.921 | 37% | 0.365 | S | S | * | . | trans | -58.6 | 114.8 | 172.7 | -74.2 | -177.4 | -3.9 | 0 | 0 | 110.3 | ||||
| 259 | L | 55.9 | Low | 71.4 | Confident | 83 Ų | 83 | 68 Ų | 68 | 44% | 0.435 | 37% | 0.365 | S | S | . | . | trans | -77.5 | 137.5 | 178.7 | -74.5 | 167.5 | 0 | 0 | 0 | 111.2 | T257 L268 | T257-L259 PolarHBondContact O-N 3.29Å; T257-L259 VanDerWaalsContact O-N 3.08Å; L259-L268 HydrophobicContact CD1-CD2 4Å; L259-L268 HydrophobicContact CD2-CD2 4.12Å; L259-L268 HydrophobicContact CG-CD2 4.4Å | ||
| 260 | P | 49.3 | Very low | 71.3 | Confident | 86 Ų | 86 | 67.7 Ų | 67.7 | 56% | 0.558 | 36% | 0.364 | S | S | * | . | trans | -63.7 | 141.5 | 161.4 | -17.9 | 30 | 0 | 0 | 0 | 111.2 | A262 R267 | P260-A262 VanDerWaalsContact C-N 3.29Å; P260-A262 PolarHBondContact O-N 2.71Å; P260-R267 PolarHBondContact O-NH1 3.37Å | ||
| 261 | A | 48 | Very low | 71 | Confident | 118 Ų | 118 | 68 Ų | 68 | 98% | 0.975 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -66.3 | 40.8 | -163.3 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||
| 262 | A | 43.5 | Very low | 70.9 | Confident | 54 Ų | 54 | 67.9 Ų | 67.9 | 45% | 0.446 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -137.8 | 164.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | P260 R267 | P260-A262 VanDerWaalsContact C-N 3.29Å; P260-A262 PolarHBondContact O-N 2.71Å; A262-R267 VanDerWaalsContact C-NH1 3.31Å; A262-R267 PolarHBondContact O-NE 3.47Å; A262-R267 PolarHBondContact O-NH1 3.08Å |
| 263 | P | 46.8 | Very low | 71 | Confident | 111 Ų | 111 | 67.9 Ų | 67.9 | 72% | 0.721 | 37% | 0.368 | S | S | * | . | trans | -76.1 | 158.2 | -142.5 | 29.4 | -35 | 0 | 0 | 0 | 116.8 | R267 | P263-R267 WeakPolarHBondContact O-CD 3.43Å; P263-R267 PolarHBondContact O-NE 2.82Å | ||
| 264 | R | 45.5 | Very low | 71.1 | Confident | 254 Ų | 254 | 72.6 Ų | 72.6 | 96% | 0.958 | 38% | 0.384 | S | S | * | . | trans | -66.7 | 152.8 | -165.7 | -62.9 | -179.9 | -177.9 | 175.1 | -0 | 115.8 | ||||
| 265 | G | 54.7 | Low | 71.2 | Confident | 44 Ų | 44 | 74.7 Ų | 74.7 | 45% | 0.454 | 39% | 0.394 | S | S | . | . | S | Bend | trans | 114.6 | 131.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | R267 | G265-R267 PolarHBondContact O-N 2.83Š|
| 266 | R | 58.8 | Low | 71.8 | Confident | 193 Ų | 193 | 74.1 Ų | 74.1 | 73% | 0.728 | 39% | 0.39 | S | S | * | . | S | Bend | trans | 50.5 | -11.6 | -173.4 | -89.9 | -175.4 | 167.8 | 164 | -3.2 | 118 | L268 G270 | R266-L268 PolarHBondContact O-N 2.93Å; R266-G270 PolarHBondContact O-N 2.84Å; R266-G270 VanDerWaalsContact O-N 3.07Å |
| 267 | R | 73.5 | Confident | 73.1 | Confident | 90 Ų | 90 | 71 Ų | 71 | 34% | 0.34 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -65.6 | -33.2 | -178.5 | -75 | -173.6 | 173.9 | -129.1 | -8.3 | 114 | P260 A262 P263 G265 A271 | P260-R267 PolarHBondContact O-NH1 3.37Å; A262-R267 VanDerWaalsContact C-NH1 3.31Å; A262-R267 PolarHBondContact O-NE 3.47Å; A262-R267 PolarHBondContact O-NH1 3.08Å; P263-R267 WeakPolarHBondContact O-CD 3.43Å; P263-R267 PolarHBondContact O-NE 2.82Å; G265-R267 PolarHBondContact O-N 2.83Å; R267-A271 VanDerWaalsContact O-CB 3.26Å; R267-A271 WeakPolarHBondContact O-CB 3.06Å; R267-A271 PolarHBondContact O-N 3.3Å |
| 268 | L | 87.7 | Confident | 74.8 | Confident | 36 Ų | 36 | 70.6 Ų | 70.6 | 19% | 0.188 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -69.5 | -50.8 | -178.1 | -71.3 | 175.2 | 0 | 0 | 0 | 110.8 | Y173 L254 L259 R266 G270 A271 G272 L312 | Y173-L268 HydrophobicContact CD1-CD1 3.9Å; Y173-L268 HydrophobicContact CD2-CD1 4.17Å; Y173-L268 HydrophobicContact CD2-CD2 3.7Å; Y173-L268 HydrophobicContact CD2-CG 4.47Å; Y173-L268 HydrophobicContact CE1-CD1 4.25Å; Y173-L268 HydrophobicContact CE1-CD2 4.39Å; Y173-L268 HydrophobicContact CE2-CD1 4.47Å; Y173-L268 HydrophobicContact CE2-CD2 3.47Å; Y173-L268 VanDerWaalsContact CE2-CD2 3.47Å; Y173-L268 HydrophobicContact CG-CD1 3.85Å; Y173-L268 HydrophobicContact CG-CD2 4.24Å; L254-L268 HydrophobicContact CD1-CB 4.46Å; L259-L268 HydrophobicContact CD1-CD2 4Å; L259-L268 HydrophobicContact CD2-CD2 4.12Å; L259-L268 HydrophobicContact CG-CD2 4.4Å; R266-L268 PolarHBondContact O-N 2.93Å; L268-G270 PolarHBondContact O-N 3.12Å; L268-A271 PolarHBondContact O-N 2.76Å; L268-G272 PolarHBondContact O-N 3.09Å; L268-L312 HydrophobicContact CB-CD2 3.94Å; L268-L312 HydrophobicContact CD1-CD2 3.82Å |
| 269 | Y | 92.7 | Very high | 76.9 | Confident | 13 Ų | 13 | 61.4 Ų | 61.4 | 5% | 0.051 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -57.6 | -49.1 | 172.2 | -172.2 | -92.2 | 0 | 0 | 0 | 111.3 | D50 M250 L254 A271 G272 L273 L312 G314 | D50-Y269 HydrophobicContact CB-CE1 4.31Å; D50-Y269 VanDerWaalsContact OD1-CE1 3.3Å; D50-Y269 WeakPolarHBondContact OD1-CE1 3.23Å; D50-Y269 PolarHBondContact OD2-OH 3.34Å; M250-Y269 HydrophobicContact CB-CE2 3.79Å; M250-Y269 HydrophobicContact CE-CD1 4.33Å; M250-Y269 HydrophobicContact CE-CD2 3.68Å; M250-Y269 HydrophobicContact CE-CE1 4.16Å; M250-Y269 HydrophobicContact CE-CE2 3.52Å; M250-Y269 HydrophobicContact CE-CG 4.11Å; M250-Y269 VanDerWaalsContact CE-O 3.31Å; M250-Y269 WeakPolarHBondContact CE-O 3.34Å; M250-Y269 HydrophobicContact CG-CE2 4.28Å; L254-Y269 HydrophobicContact CD1-CD2 4.33Å; Y269-A271 VanDerWaalsContact C-N 3.26Å; Y269-A271 PolarHBondContact O-N 3.41Å; Y269-G272 PolarHBondContact O-N 3.38Å; Y269-G272 VanDerWaalsContact O-N 3.16Å; Y269-L273 HydrophobicContact CE1-CB 4.46Å; Y269-L273 HydrophobicContact CE1-CD2 4.09Å; Y269-L273 WeakPolarHBondContact O-CB 3.41Å; Y269-L273 PolarHBondContact O-N 2.84Å; Y269-L312 VanDerWaalsContact CD2-O 3.27Å; Y269-L312 WeakPolarHBondContact CD2-O 3.48Å; Y269-G314 VanDerWaalsContact CE2-N 3.3Å; Y269-G314 WeakPolarHBondContact OH-CA 3.47Å |
| 270 | G | 92.8 | Very high | 78.9 | Confident | 3 Ų | 3 | 57.6 Ų | 57.6 | 3% | 0.031 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -59.5 | -32.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | D60 R266 L268 L273 R274 | D60-G270 VanDerWaalsContact OD2-CA 3.32Å; D60-G270 WeakPolarHBondContact OD2-CA 3.41Å; R266-G270 PolarHBondContact O-N 2.84Å; R266-G270 VanDerWaalsContact O-N 3.07Å; L268-G270 PolarHBondContact O-N 3.12Å; G270-L273 PolarHBondContact O-N 3.32Å; G270-R274 WeakPolarHBondContact O-CG 3.09Å; G270-R274 PolarHBondContact O-N 3.32Å; G270-R274 PolarHBondContact O-NH1 2.85Å |
| 271 | A | 91.4 | Very high | 81.3 | Confident | 9 Ų | 9 | 53.6 Ų | 53.6 | 7% | 0.074 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -69.8 | -45.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | R267 L268 Y269 L273 R274 E275 | R267-A271 VanDerWaalsContact O-CB 3.26Å; R267-A271 WeakPolarHBondContact O-CB 3.06Å; R267-A271 PolarHBondContact O-N 3.3Å; L268-A271 PolarHBondContact O-N 2.76Å; Y269-A271 VanDerWaalsContact C-N 3.26Å; Y269-A271 PolarHBondContact O-N 3.41Å; A271-L273 PolarHBondContact O-N 2.84Å; A271-R274 VanDerWaalsContact CA-NH2 3.29Å; A271-R274 PolarHBondContact O-N 3.44Å; A271-E275 PolarHBondContact O-N 2.79Å |
| 272 | G | 94.1 | Very high | 83.7 | Confident | 3 Ų | 3 | 51.7 Ų | 51.7 | 3% | 0.031 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.3 | -36.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | H249 M250 L268 Y269 E275 M276 | H249-G272 PolarHBondContact CD2-O 3.25Å; M250-G272 VanDerWaalsContact CE-C 3.49Å; L268-G272 PolarHBondContact O-N 3.09Å; Y269-G272 PolarHBondContact O-N 3.38Å; Y269-G272 VanDerWaalsContact O-N 3.16Å; G272-E275 PolarHBondContact O-N 2.86Å; G272-M276 WeakPolarHBondContact O-CB 3.21Å; G272-M276 PolarHBondContact O-N 2.96Å |
| 273 | L | 95.4 | Very high | 86.3 | Confident | 3 Ų | 3 | 49.1 Ų | 49.1 | 2% | 0.016 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -67.1 | -41.6 | 178.3 | -172.2 | 60.1 | 0 | 0 | 0 | 111.6 | M46 D50 T58 D60 T61 M250 Y269 G270 A271 M276 D277 | M46-L273 HydrophobicContact CE-CD1 4.12Å; D50-L273 HydrophobicContact CB-CD2 4.33Å; D50-L273 WeakPolarHBondContact O-CD2 3.49Å; T58-L273 HydrophobicContact CG2-CD2 3.93Å; D60-L273 HydrophobicContact CB-CB 4.23Å; D60-L273 HydrophobicContact CB-CD2 3.87Å; D60-L273 HydrophobicContact CB-CG 4.09Å; T61-L273 HydrophobicContact CG2-CD1 3.76Å; T61-L273 HydrophobicContact CG2-CD2 3.85Å; T61-L273 HydrophobicContact CG2-CG 3.65Å; M250-L273 HydrophobicContact CE-CB 4.06Å; M250-L273 VanDerWaalsContact CE-N 3.3Å; M250-L273 HydrophobicContact CG-CD1 4.25Å; M250-L273 HydrophobicContact SD-CB 4.27Å; M250-L273 HydrophobicContact SD-CD1 4.31Å; Y269-L273 HydrophobicContact CE1-CB 4.46Å; Y269-L273 HydrophobicContact CE1-CD2 4.09Å; Y269-L273 WeakPolarHBondContact O-CB 3.41Å; Y269-L273 PolarHBondContact O-N 2.84Å; G270-L273 PolarHBondContact O-N 3.32Å; A271-L273 PolarHBondContact O-N 2.84Å; L273-M276 HydrophobicContact CD1-CE 3.67Å; L273-M276 PolarHBondContact O-N 2.91Å; L273-D277 VanDerWaalsContact O-CB 3.26Å; L273-D277 WeakPolarHBondContact O-CB 3.37Å; L273-D277 PolarHBondContact O-N 2.76Å |
| 274 | R | 96.3 | Very high | 88.8 | Confident | 107 Ų | 107 | 44.2 Ų | 44.2 | 40% | 0.404 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -64.3 | -37.7 | 171.9 | -73.1 | -174 | -59.5 | -88.3 | -4.8 | 112.7 | D60 G270 A271 G278 | D60-R274 HydrophobicContact CB-CG 3.72Å; D60-R274 WeakPolarHBondContact O-CA 3.45Å; D60-R274 WeakPolarHBondContact O-CG 3.45Å; D60-R274 WeakPolarHBondContact OD1-CD 3.23Å; D60-R274 IonicContact OD1-CZ 3.59Å; D60-R274 IonicContact OD1-NE 3Å; D60-R274 IonicContact OD1-NH1 3.75Å; D60-R274 PolarHBondContact OD1-NH1 3.3Å; D60-R274 IonicContact OD2-NH1 3.32Å; G270-R274 WeakPolarHBondContact O-CG 3.09Å; G270-R274 PolarHBondContact O-N 3.32Å; G270-R274 PolarHBondContact O-NH1 2.85Å; A271-R274 VanDerWaalsContact CA-NH2 3.29Å; A271-R274 PolarHBondContact O-N 3.44Å; R274-G278 PolarHBondContact O-N 3.38Å |
| 275 | E | 96.1 | Very high | 91.3 | Very high | 48 Ų | 48 | 35.3 Ų | 35.3 | 22% | 0.224 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64.9 | -47.1 | 175.5 | -178.3 | 179.5 | -123.7 | 0 | 0 | 111.1 | A220 H249 A271 G272 G278 L279 | A220-E275 HydrophobicContact CB-CG 3.67Å; H249-E275 IonicContact CD2-OE2 3.95Å; H249-E275 IonicContact CE1-OE2 3.64Å; H249-E275 PolarHBondContact CE1-OE2 3.21Å; H249-E275 IonicContact NE2-OE2 3.72Å; H249-E275 PolarHBondContact NE2-OE2 3.4Å; A271-E275 PolarHBondContact O-N 2.79Å; G272-E275 PolarHBondContact O-N 2.86Å; E275-G278 PolarHBondContact O-N 2.64Å; E275-L279 PolarHBondContact O-N 3.23Å |
| 276 | M | 97.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -58.9 | -48.3 | 174.4 | -173.4 | -163.3 | 76.5 | 0 | 0 | 111.4 | A43 M46 L64 L247 H249 M250 G272 L273 G278 L279 V280 F299 | A43-M276 HydrophobicContact CB-SD 4.01Å; M46-M276 HydrophobicContact CE-CE 4.14Å; M46-M276 HydrophobicContact SD-CE 3.8Å; M46-M276 HydrophobicContact SD-SD 4.46Å; L64-M276 HydrophobicContact CD1-CE 3.9Å; L247-M276 HydrophobicContact CD1-CG 3.61Å; L247-M276 HydrophobicContact CD1-SD 4.13Å; H249-M276 HydrophobicContact CB-CB 3.74Å; H249-M276 HydrophobicContact CB-CG 3.6Å; H249-M276 HydrophobicContact CB-SD 3.92Å; M250-M276 HydrophobicContact CG-SD 3.8Å; M250-M276 HydrophobicContact SD-CB 4.07Å; M250-M276 HydrophobicContact SD-SD 4.16Å; G272-M276 WeakPolarHBondContact O-CB 3.21Å; G272-M276 PolarHBondContact O-N 2.96Å; L273-M276 HydrophobicContact CD1-CE 3.67Å; L273-M276 PolarHBondContact O-N 2.91Å; M276-G278 VanDerWaalsContact C-N 3.33Å; M276-G278 PolarHBondContact O-N 3.04Å; M276-L279 WeakPolarHBondContact O-CB 3.33Å; M276-L279 PolarHBondContact O-N 3.3Å; M276-V280 WeakPolarHBondContact O-CG2 3.29Å; M276-V280 PolarHBondContact O-N 3.5Å; M276-F299 HydrophobicContact CE-CE2 4.43Å; M276-F299 HydrophobicContact CE-CZ 4.06Å |
| 277 | D | 98.6 | Very high | 95.3 | Very high | 6 Ų | 6 | 27 Ų | 27 | 3% | 0.032 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60.5 | -41.6 | 178.1 | -178.8 | 75.5 | 0 | 0 | 0 | 111.8 | T61 A62 N63 L64 L273 V280 G281 | T61-D277 VanDerWaalsContact C-CG 3.43Å; T61-D277 VanDerWaalsContact CA-CG 3.45Å; T61-D277 VanDerWaalsContact CA-OD1 3.29Å; T61-D277 WeakPolarHBondContact CA-OD1 3.49Å; A62-D277 PolarHBondContact N-OD2 3.19Å; A62-D277 VanDerWaalsContact N-OD2 3.12Å; N63-D277 WeakPolarHBondContact CB-OD1 3.42Å; N63-D277 WeakPolarHBondContact CB-OD2 3.27Å; N63-D277 PolarHBondContact N-OD1 2.96Å; N63-D277 VanDerWaalsContact N-OD1 3.09Å; N63-D277 PolarHBondContact N-OD2 2.76Å; N63-D277 PolarHBondContact ND2-O 3.44Å; N63-D277 PolarHBondContact ND2-OD2 3.12Å; L64-D277 WeakPolarHBondContact CG-OD1 3.41Å; L64-D277 PolarHBondContact N-OD1 3.23Å; L273-D277 VanDerWaalsContact O-CB 3.26Å; L273-D277 WeakPolarHBondContact O-CB 3.37Å; L273-D277 PolarHBondContact O-N 2.76Å; D277-V280 PolarHBondContact O-N 3.34Å; D277-G281 PolarHBondContact O-N 2.95Å |
| 278 | G | 98.2 | Very high | 96.5 | Very high | 25 Ų | 25 | 24.3 Ų | 24.3 | 26% | 0.258 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -63.1 | -40.2 | 174 | 0 | 0 | 0 | 0 | 0 | 113.2 | R274 E275 M276 G281 Q282 | R274-G278 PolarHBondContact O-N 3.38Å; E275-G278 PolarHBondContact O-N 2.64Å; M276-G278 VanDerWaalsContact C-N 3.33Å; M276-G278 PolarHBondContact O-N 3.04Å; G278-G281 PolarHBondContact O-N 2.91Å; G278-Q282 WeakPolarHBondContact O-CG 3.21Å; G278-Q282 PolarHBondContact O-N 2.99Å |
| 279 | L | 98.1 | Very high | 97 | Very high | 3 Ų | 3 | 30.1 Ų | 30.1 | 2% | 0.016 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60.6 | -48.7 | 172.4 | 176.9 | 167.4 | 0 | 0 | 0 | 110.7 | A220 A224 L247 E275 M276 G281 Q282 I283 | A220-L279 HydrophobicContact CB-CD1 4.23Å; A220-L279 VanDerWaalsContact O-CD1 3.3Å; A220-L279 WeakPolarHBondContact O-CD1 3.43Å; A224-L279 HydrophobicContact CB-CG 4.17Å; L247-L279 HydrophobicContact CD2-CD1 3.92Å; L247-L279 HydrophobicContact CD2-CD2 3.56Å; L247-L279 HydrophobicContact CD2-CG 4.46Å; E275-L279 PolarHBondContact O-N 3.23Å; M276-L279 WeakPolarHBondContact O-CB 3.33Å; M276-L279 PolarHBondContact O-N 3.3Å; L279-G281 VanDerWaalsContact C-N 3.31Å; L279-G281 PolarHBondContact O-N 3.03Å; L279-Q282 PolarHBondContact O-N 3.35Å; L279-I283 HydrophobicContact CD2-CD1 3.52Å; L279-I283 HydrophobicContact CD2-CG1 4.34Å; L279-I283 WeakPolarHBondContact O-CG1 3.38Å; L279-I283 PolarHBondContact O-N 2.83Å; L279-I283 VanDerWaalsContact O-N 3.14Å |
| 280 | V | 98.8 | Very high | 97.1 | Very high | 3 Ų | 3 | 31.5 Ų | 31.5 | 2% | 0.018 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.1 | -41.3 | 178.5 | 174.6 | 0 | 0 | 0 | 0 | 111 | I41 L64 L247 M276 D277 Q282 I283 K284 F299 | I41-V280 HydrophobicContact CD1-CG1 3.93Å; I41-V280 HydrophobicContact CD1-CG2 4.45Å; I41-V280 HydrophobicContact CG2-CG2 4.08Å; L64-V280 HydrophobicContact CD2-CG1 3.81Å; L64-V280 HydrophobicContact CG-CG1 4.46Å; L247-V280 HydrophobicContact CD1-CG2 4.15Å; M276-V280 WeakPolarHBondContact O-CG2 3.29Å; M276-V280 PolarHBondContact O-N 3.5Å; D277-V280 PolarHBondContact O-N 3.34Å; V280-Q282 PolarHBondContact O-N 2.93Å; V280-I283 PolarHBondContact O-N 3.2Å; V280-K284 PolarHBondContact O-N 2.82Å; V280-F299 HydrophobicContact CG2-CD2 4.35Å; V280-F299 HydrophobicContact CG2-CE2 4.12Å |
| 281 | G | 98.7 | Very high | 97.2 | Very high | 2 Ų | 2 | 32 Ų | 32 | 2% | 0.021 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -55.5 | -48.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | D277 G278 L279 I283 K284 D285 | D277-G281 PolarHBondContact O-N 2.95Å; G278-G281 PolarHBondContact O-N 2.91Å; L279-G281 VanDerWaalsContact C-N 3.31Å; L279-G281 PolarHBondContact O-N 3.03Å; G281-I283 VanDerWaalsContact C-N 3.32Å; G281-I283 PolarHBondContact O-N 3.33Å; G281-K284 PolarHBondContact O-N 3.1Å; G281-D285 WeakPolarHBondContact O-CB 3.4Å; G281-D285 VanDerWaalsContact O-CG 3.3Å; G281-D285 PolarHBondContact O-N 2.8Å |
| 282 | Q | 98.8 | Very high | 97.4 | Very high | 79 Ų | 79 | 35.8 Ų | 35.8 | 37% | 0.369 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -60.4 | -39.5 | 177.6 | -72.9 | 179.3 | 69.1 | 0 | 0 | 113 | A224 G278 L279 V280 K286 | A224-Q282 HydrophobicContact CB-CB 4.48Å; G278-Q282 WeakPolarHBondContact O-CG 3.21Å; G278-Q282 PolarHBondContact O-N 2.99Å; L279-Q282 PolarHBondContact O-N 3.35Å; V280-Q282 PolarHBondContact O-N 2.93Å; Q282-K286 WeakPolarHBondContact O-CB 3.38Å; Q282-K286 PolarHBondContact O-N 3.16Å |
| 283 | I | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66.3 | -48.9 | 177.1 | -66.3 | 176 | 0 | 0 | 0 | 110.4 | V39 I41 A227 I231 V245 L279 V280 G281 K286 V287 | V39-I283 HydrophobicContact CG1-CG2 3.96Å; I41-I283 HydrophobicContact CD1-CG2 4.23Å; A227-I283 HydrophobicContact CB-CD1 3.78Å; A227-I283 HydrophobicContact CB-CG1 3.86Å; I231-I283 HydrophobicContact CD1-CG2 3.98Å; V245-I283 HydrophobicContact CG1-CD1 3.89Å; V245-I283 HydrophobicContact CG2-CD1 4.13Å; L279-I283 HydrophobicContact CD2-CD1 3.52Å; L279-I283 HydrophobicContact CD2-CG1 4.34Å; L279-I283 WeakPolarHBondContact O-CG1 3.38Å; L279-I283 PolarHBondContact O-N 2.83Å; L279-I283 VanDerWaalsContact O-N 3.14Å; V280-I283 PolarHBondContact O-N 3.2Å; G281-I283 VanDerWaalsContact C-N 3.32Å; G281-I283 PolarHBondContact O-N 3.33Å; I283-K286 PolarHBondContact O-N 2.92Å; I283-V287 PolarHBondContact O-N 2.82Å |
| 284 | K | 98.6 | Very high | 97.5 | Very high | 8 Ų | 8 | 42.9 Ų | 42.9 | 4% | 0.035 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.7 | -46.6 | 178 | -179.4 | 179.5 | 177.8 | -62.5 | 0 | 111.3 | M67 E70 V280 G281 K286 V287 D288 L297 Y348 | M67-K284 HydrophobicContact CB-CD 4.14Å; M67-K284 HydrophobicContact CG-CD 4.22Å; E70-K284 VanDerWaalsContact OE2-CE 3.27Å; E70-K284 WeakPolarHBondContact OE2-CE 3.34Å; E70-K284 IonicContact OE2-NZ 3.98Å; E70-K284 PolarHBondContact OE2-NZ 3.47Å; V280-K284 PolarHBondContact O-N 2.82Å; G281-K284 PolarHBondContact O-N 3.1Å; K284-K286 VanDerWaalsContact C-N 3.31Å; K284-K286 PolarHBondContact O-N 3.34Å; K284-V287 WeakPolarHBondContact O-CB 3.4Å; K284-V287 PolarHBondContact O-N 3.28Å; K284-V287 VanDerWaalsContact O-N 3.12Å; K284-D288 IonicContact NZ-OD2 3.54Å; K284-D288 PolarHBondContact NZ-OD2 2.75Å; K284-D288 PolarHBondContact O-N 3.3Å; K284-L297 HydrophobicContact CB-CD2 3.95Å; K284-L297 HydrophobicContact CG-CD2 3.89Å; K284-Y348 HydrophobicContact CG-CE1 4.43Å; K284-Y348 PolarHBondContact NZ-OH 3.3Å |
| 285 | D | 98.7 | Very high | 97.6 | Very high | 66 Ų | 66 | 37.8 Ų | 37.8 | 35% | 0.353 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -59.3 | -43.8 | 177.2 | -76.3 | -13.7 | 0 | 0 | 0 | 110.6 | G281 V287 D288 H289 | G281-D285 WeakPolarHBondContact O-CB 3.4Å; G281-D285 VanDerWaalsContact O-CG 3.3Å; G281-D285 PolarHBondContact O-N 2.8Å; D285-V287 VanDerWaalsContact C-N 3.32Å; D285-V287 PolarHBondContact O-N 2.94Å; D285-D288 PolarHBondContact O-N 3.04Å; D285-H289 PolarHBondContact O-N 3.46Å; D285-H289 PolarHBondContact O-ND1 3.5Å |
| 286 | K | 98.7 | Very high | 97.7 | Very high | 64 Ų | 64 | 35.7 Ų | 35.7 | 28% | 0.278 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -60.7 | -41.4 | 176 | 178.5 | 60.2 | 66 | 177.8 | 0 | 111.9 | T228 I231 Q282 I283 K284 H289 T290 | T228-K286 HydrophobicContact CG2-CB 3.7Å; T228-K286 HydrophobicContact CG2-CG 4.01Å; I231-K286 HydrophobicContact CB-CG 4Å; I231-K286 HydrophobicContact CD1-CG 4.27Å; I231-K286 HydrophobicContact CG2-CG 3.86Å; Q282-K286 WeakPolarHBondContact O-CB 3.38Å; Q282-K286 PolarHBondContact O-N 3.16Å; I283-K286 PolarHBondContact O-N 2.92Å; K284-K286 VanDerWaalsContact C-N 3.31Å; K284-K286 PolarHBondContact O-N 3.34Å; K286-H289 PolarHBondContact O-N 2.97Å; K286-T290 HydrophobicContact CD-CG2 3.71Å; K286-T290 HydrophobicContact CG-CG2 4.48Å; K286-T290 WeakPolarHBondContact O-CB 3.37Å; K286-T290 WeakPolarHBondContact O-CG2 3.42Å; K286-T290 PolarHBondContact O-N 3.21Å; K286-T290 VanDerWaalsContact O-N 3.16Å; K286-T290 PolarHBondContact O-OG1 2.83Å |
| 287 | V | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.9 | -48.6 | 173.7 | 169.6 | 0 | 0 | 0 | 0 | 110.9 | V39 I231 I283 K284 D285 H289 T290 A291 K292 T295 L297 | V39-V287 HydrophobicContact CG2-CG2 4.02Å; I231-V287 HydrophobicContact CD1-CG2 3.84Å; I231-V287 HydrophobicContact CG1-CG2 4.49Å; I231-V287 HydrophobicContact CG2-CG2 4.34Å; I283-V287 PolarHBondContact O-N 2.82Å; K284-V287 WeakPolarHBondContact O-CB 3.4Å; K284-V287 PolarHBondContact O-N 3.28Å; K284-V287 VanDerWaalsContact O-N 3.12Å; D285-V287 VanDerWaalsContact C-N 3.32Å; D285-V287 PolarHBondContact O-N 2.94Å; V287-H289 PolarHBondContact O-N 3.4Å; V287-T290 PolarHBondContact O-N 3.42Å; V287-T290 PolarHBondContact O-OG1 3.34Å; V287-A291 CarbonylContact O-C 3.4Å; V287-A291 PolarHBondContact O-N 3.04Å; V287-K292 PolarHBondContact O-N 2.98Å; V287-K292 VanDerWaalsContact O-N 3.09Å; V287-T295 VanDerWaalsContact CG1-CB 3.48Å; V287-T295 HydrophobicContact CG1-CG2 3.61Å; V287-T295 HydrophobicContact CG2-CG2 4.19Å; V287-L297 HydrophobicContact CB-CD1 4.28Å; V287-L297 HydrophobicContact CG1-CD1 3.82Å; V287-L297 HydrophobicContact CG2-CD1 4.13Å |
| 288 | D | 98.1 | Very high | 97.8 | Very high | 33 Ų | 33 | 35.5 Ų | 35.5 | 18% | 0.176 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59.9 | -31.8 | -178.6 | -78.5 | -21.7 | 0 | 0 | 0 | 112.3 | K284 D285 K292 Y348 | K284-D288 IonicContact NZ-OD2 3.54Å; K284-D288 PolarHBondContact NZ-OD2 2.75Å; K284-D288 PolarHBondContact O-N 3.3Å; D285-D288 PolarHBondContact O-N 3.04Å; D288-K292 HydrophobicContact CB-CD 4.33Å; D288-K292 WeakPolarHBondContact O-CB 3.31Å; D288-K292 WeakPolarHBondContact OD1-CG 3.4Å; D288-Y348 VanDerWaalsContact CG-OH 3.24Å; D288-Y348 WeakPolarHBondContact OD1-CE1 3.44Å; D288-Y348 PolarHBondContact OD1-OH 3.2Å; D288-Y348 PolarHBondContact OD2-OH 3.2Å |
| 289 | H | 97.8 | Very high | 97.8 | Very high | 158 Ų | 158 | 34.3 Ų | 34.3 | 73% | 0.731 | 17% | 0.172 | S | C | * | . | H | α-helix | trans | -82.8 | -20.1 | 176.5 | -71 | 92.3 | 0 | 0 | 0 | 114.5 | D285 K286 V287 | D285-H289 PolarHBondContact O-N 3.46Å; D285-H289 PolarHBondContact O-ND1 3.5Å; K286-H289 PolarHBondContact O-N 2.97Å; V287-H289 PolarHBondContact O-N 3.4Å |
| 290 | T | 96.1 | Very high | 97.8 | Very high | 42 Ų | 42 | 34.1 Ų | 34.1 | 26% | 0.258 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -114.3 | -39.9 | -169.5 | 53.8 | 0 | 0 | 0 | 0 | 114.2 | I231 K286 V287 | I231-T290 WeakPolarHBondContact CG2-OG1 3.3Å; K286-T290 HydrophobicContact CD-CG2 3.71Å; K286-T290 HydrophobicContact CG-CG2 4.48Å; K286-T290 WeakPolarHBondContact O-CB 3.37Å; K286-T290 WeakPolarHBondContact O-CG2 3.42Å; K286-T290 PolarHBondContact O-N 3.21Å; K286-T290 VanDerWaalsContact O-N 3.16Å; K286-T290 PolarHBondContact O-OG1 2.83Å; V287-T290 PolarHBondContact O-N 3.42Å; V287-T290 PolarHBondContact O-OG1 3.34Å |
| 291 | A | 94.6 | Very high | 97.8 | Very high | 14 Ų | 14 | 34 Ų | 34 | 12% | 0.116 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -154 | 32.9 | -170.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | V287 D293 N294 T295 | V287-A291 CarbonylContact O-C 3.4Å; V287-A291 PolarHBondContact O-N 3.04Å; A291-D293 PolarHBondContact O-N 3.3Å; A291-N294 CarbonylContact O-C 3.39Å; A291-N294 PolarHBondContact O-N 2.61Å; A291-N294 VanDerWaalsContact O-N 3.13Å; A291-T295 WeakPolarHBondContact CB-OG1 3.15Å; A291-T295 WeakPolarHBondContact O-CB 3.18Å; A291-T295 PolarHBondContact O-N 3.46Å; A291-T295 PolarHBondContact O-OG1 3.45Å |
| 292 | K | 95.8 | Very high | 97.8 | Very high | 88 Ų | 88 | 33.9 Ų | 33.9 | 38% | 0.383 | 17% | 0.169 | S | C | . | . | G | 310 helix | trans | -42 | -58.7 | -174 | -172.7 | 167.9 | -177.8 | 173 | 0 | 114.8 | V287 D288 N294 T295 Y348 P350 | V287-K292 PolarHBondContact O-N 2.98Å; V287-K292 VanDerWaalsContact O-N 3.09Å; D288-K292 HydrophobicContact CB-CD 4.33Å; D288-K292 WeakPolarHBondContact O-CB 3.31Å; D288-K292 WeakPolarHBondContact OD1-CG 3.4Å; K292-N294 PolarHBondContact O-N 3.19Å; K292-T295 PolarHBondContact O-N 3.08Å; K292-Y348 WeakPolarHBondContact CE-OH 3.34Å; K292-P350 HydrophobicContact CD-CG 4.34Å; K292-P350 HydrophobicContact CG-CB 4.2Å; K292-P350 HydrophobicContact CG-CG 3.77Å |
| 293 | D | 93.8 | Very high | 97.8 | Very high | 124 Ų | 124 | 30.1 Ų | 30.1 | 66% | 0.663 | 15% | 0.151 | S | C | * | . | G | 310 helix | trans | -74.7 | -13.6 | -170.4 | -55.9 | -36.6 | 0 | 0 | 0 | 113.5 | A291 W349 | A291-D293 PolarHBondContact O-N 3.3Å; D293-W349 PolarHBondContact O-NE1 3.13Å |
| 294 | N | 96.2 | Very high | 97.8 | Very high | 30 Ų | 30 | 30.1 Ų | 30.1 | 16% | 0.16 | 15% | 0.151 | C | C | . | . | G | 310 helix | trans | -115 | 14.8 | -177.1 | -165.6 | 67 | 0 | 0 | 0 | 112.7 | K35 P36 N37 A291 K292 | K35-N294 PolarHBondContact O-ND2 2.86Å; P36-N294 CarbonylContact C-O 3.6Å; P36-N294 WeakPolarHBondContact CA-O 3.17Å; N37-N294 PolarHBondContact N-O 3.02Å; N37-N294 PolarHBondContact ND2-O 2.72Å; A291-N294 CarbonylContact O-C 3.39Å; A291-N294 PolarHBondContact O-N 2.61Å; A291-N294 VanDerWaalsContact O-N 3.13Å; K292-N294 PolarHBondContact O-N 3.19Å |
| 295 | T | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 124.6 | -177.4 | -50.2 | 0 | 0 | 0 | 0 | 110.7 | N37 V39 F241 V287 A291 K292 L297 | N37-T295 HydrophobicContact CB-CG2 3.86Å; N37-T295 PolarHBondContact ND2-OG1 3.37Å; N37-T295 VanDerWaalsContact ND2-OG1 3.12Å; N37-T295 WeakPolarHBondContact O-CA 3.21Å; V39-T295 HydrophobicContact CG2-CG2 3.84Å; F241-T295 HydrophobicContact CZ-CG2 4.31Å; V287-T295 VanDerWaalsContact CG1-CB 3.48Å; V287-T295 HydrophobicContact CG1-CG2 3.61Å; V287-T295 HydrophobicContact CG2-CG2 4.19Å; A291-T295 WeakPolarHBondContact CB-OG1 3.15Å; A291-T295 WeakPolarHBondContact O-CB 3.18Å; A291-T295 PolarHBondContact O-N 3.46Å; A291-T295 PolarHBondContact O-OG1 3.45Å; K292-T295 PolarHBondContact O-N 3.08Å; T295-L297 HydrophobicContact CG2-CD1 3.59Å |
| 296 | F | 98.8 | Very high | 97.7 | Very high | 4 Ų | 4 | 28.6 Ų | 28.6 | 2% | 0.018 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 125.2 | 171 | 175.5 | -134.8 | 0 | 0 | 0 | 109.9 | N37 F38 V39 W298 A347 W349 V353 L375 L395 | N37-F296 PolarHBondContact O-N 3.28Å; F38-F296 HydrophobicContact CD1-CB 4.08Å; F38-F296 AromaticContact CD1-CD1 3.95Å; F38-F296 HydrophobicContact CD1-CD1 3.95Å; F38-F296 HydrophobicContact CE1-CB 4.45Å; F38-F296 HydrophobicContact CE1-CD1 4.26Å; V39-F296 PolarHBondContact N-O 2.92Å; F296-W298 HydrophobicContact CE1-CB 4.26Å; F296-W298 HydrophobicContact CE1-CD2 4.11Å; F296-W298 AromaticContact CE1-CE3 3.37Å; F296-W298 HydrophobicContact CE1-CE3 3.37Å; F296-W298 AromaticContact CE1-CZ3 3.95Å; F296-W298 HydrophobicContact CE1-CZ3 3.95Å; F296-W298 HydrophobicContact CZ-CB 4.07Å; F296-W298 AromaticContact CZ-CD2 3.81Å; F296-W298 HydrophobicContact CZ-CD2 3.81Å; F296-W298 AromaticContact CZ-CE3 3.47Å; F296-W298 HydrophobicContact CZ-CE3 3.47Å; F296-W298 VanDerWaalsContact CZ-CE3 3.47Å; F296-W298 HydrophobicContact CZ-CG 4.13Å; F296-W298 HydrophobicContact CZ-CZ3 4.07Å; F296-A347 HydrophobicContact CE2-CB 3.87Å; F296-A347 HydrophobicContact CZ-CB 4.31Å; F296-W349 HydrophobicContact CB-CD2 4Å; F296-W349 HydrophobicContact CB-CE3 3.66Å; F296-W349 HydrophobicContact CB-CG 4.45Å; F296-W349 HydrophobicContact CB-CZ3 4.12Å; F296-W349 HydrophobicContact CD2-CB 4.1Å; F296-W349 HydrophobicContact CD2-CE3 4.14Å; F296-W349 HydrophobicContact CG-CE3 4.03Å; F296-V353 HydrophobicContact CE2-CG2 4.38Å; F296-L375 HydrophobicContact CD1-CD1 4.18Å; F296-L375 HydrophobicContact CE1-CD1 4.39Å; F296-L395 HydrophobicContact CE1-CD1 4.08Å; F296-L395 HydrophobicContact CE2-CD1 4.41Å; F296-L395 HydrophobicContact CE2-CD2 4.11Å; F296-L395 HydrophobicContact CZ-CD1 3.68Å; F296-L395 HydrophobicContact CZ-CD2 3.79Å; F296-L395 HydrophobicContact CZ-CG 4.41Å |
| 297 | L | 98.9 | Very high | 97.6 | Very high | 1 Ų | 1 | 26.8 Ų | 26.8 | 1% | 0.005 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 130.8 | 173.8 | -85.2 | 61.3 | 0 | 0 | 0 | 109.8 | V39 M67 K284 V287 T295 A347 Y348 | V39-L297 HydrophobicContact CB-CD1 4Å; V39-L297 HydrophobicContact CB-CG 3.95Å; V39-L297 HydrophobicContact CG1-CG 4.34Å; V39-L297 HydrophobicContact CG2-CD1 4.24Å; V39-L297 VanDerWaalsContact O-CA 3.31Å; V39-L297 WeakPolarHBondContact O-CA 3.42Å; M67-L297 HydrophobicContact CE-CB 3.7Å; K284-L297 HydrophobicContact CB-CD2 3.95Å; K284-L297 HydrophobicContact CG-CD2 3.89Å; V287-L297 HydrophobicContact CB-CD1 4.28Å; V287-L297 HydrophobicContact CG1-CD1 3.82Å; V287-L297 HydrophobicContact CG2-CD1 4.13Å; T295-L297 HydrophobicContact CG2-CD1 3.59Å; L297-A347 WeakPolarHBondContact O-CA 3.4Å; L297-Y348 HydrophobicContact CB-CD1 4.19Å; L297-Y348 HydrophobicContact CD1-CD1 4.42Å; L297-Y348 HydrophobicContact CD2-CD1 4.09Å; L297-Y348 HydrophobicContact CG-CD1 4.46Å; L297-Y348 PolarHBondContact N-O 2.84Å; L297-Y348 PolarHBondContact O-N 2.68Å |
| 298 | W | 98.9 | Very high | 97.5 | Very high | 1 Ų | 1 | 29 Ų | 29 | 0% | 0.004 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 116 | 172.7 | -154.9 | -25.6 | 0 | 0 | 0 | 109.6 | V39 I40 I41 F77 F296 L346 I368 T371 V391 L395 | V39-W298 PolarHBondContact O-N 3Å; I40-W298 CarbonylContact C-O 3.55Å; I40-W298 WeakPolarHBondContact CA-O 3.49Å; I41-W298 PolarHBondContact N-O 2.7Å; F77-W298 AromaticContact CE2-CZ2 3.81Å; F77-W298 HydrophobicContact CE2-CZ2 3.81Å; F77-W298 HydrophobicContact CZ-CZ2 4.3Å; F296-W298 HydrophobicContact CE1-CB 4.26Å; F296-W298 HydrophobicContact CE1-CD2 4.11Å; F296-W298 AromaticContact CE1-CE3 3.37Å; F296-W298 HydrophobicContact CE1-CE3 3.37Å; F296-W298 AromaticContact CE1-CZ3 3.95Å; F296-W298 HydrophobicContact CE1-CZ3 3.95Å; F296-W298 HydrophobicContact CZ-CB 4.07Å; F296-W298 AromaticContact CZ-CD2 3.81Å; F296-W298 HydrophobicContact CZ-CD2 3.81Å; F296-W298 AromaticContact CZ-CE3 3.47Å; F296-W298 HydrophobicContact CZ-CE3 3.47Å; F296-W298 VanDerWaalsContact CZ-CE3 3.47Å; F296-W298 HydrophobicContact CZ-CG 4.13Å; F296-W298 HydrophobicContact CZ-CZ3 4.07Å; W298-L346 WeakPolarHBondContact CA-O 3.47Å; W298-I368 HydrophobicContact CD2-CD1 4.45Å; W298-I368 HydrophobicContact CD2-CG1 4.04Å; W298-I368 HydrophobicContact CE3-CG1 3.9Å; W298-I368 HydrophobicContact CE3-CG2 4.49Å; W298-I368 HydrophobicContact CH2-CG1 4.15Å; W298-I368 HydrophobicContact CZ2-CG1 4.25Å; W298-I368 HydrophobicContact CZ3-CB 4.44Å; W298-I368 HydrophobicContact CZ3-CG1 3.98Å; W298-T371 HydrophobicContact CZ3-CG2 4.05Å; W298-V391 HydrophobicContact CH2-CG2 3.71Å; W298-V391 HydrophobicContact CZ2-CG2 4.47Å; W298-L395 HydrophobicContact CH2-CD1 4.26Å; W298-L395 HydrophobicContact CZ3-CD1 4.12Å |
| 299 | F | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 136 | 174.3 | 175.5 | -90.1 | 0 | 0 | 0 | 110 | I41 A43 M46 L64 M67 M276 V280 P344 A345 L346 | I41-F299 HydrophobicContact CB-CD2 3.94Å; I41-F299 HydrophobicContact CG2-CD2 3.69Å; I41-F299 HydrophobicContact CG2-CE2 4.08Å; I41-F299 CarbonylContact O-C 3.56Å; I41-F299 WeakPolarHBondContact O-CA 3.16Å; A43-F299 HydrophobicContact CB-CE2 4.39Å; A43-F299 HydrophobicContact CB-CZ 4.13Å; M46-F299 HydrophobicContact CE-CE1 4.4Å; M46-F299 HydrophobicContact CE-CZ 4.36Å; M46-F299 HydrophobicContact SD-CE1 3.92Å; M46-F299 HydrophobicContact SD-CZ 3.61Å; L64-F299 HydrophobicContact CD1-CE1 3.98Å; L64-F299 HydrophobicContact CD1-CE2 4.14Å; L64-F299 HydrophobicContact CD1-CZ 3.68Å; L64-F299 HydrophobicContact CD2-CB 4.36Å; L64-F299 HydrophobicContact CD2-CD1 3.74Å; L64-F299 HydrophobicContact CD2-CD2 3.64Å; L64-F299 HydrophobicContact CD2-CE1 3.87Å; L64-F299 HydrophobicContact CD2-CE2 3.77Å; L64-F299 HydrophobicContact CD2-CG 3.63Å; L64-F299 HydrophobicContact CD2-CZ 3.88Å; L64-F299 HydrophobicContact CG-CZ 4.47Å; M67-F299 HydrophobicContact CE-CB 4.25Å; M67-F299 HydrophobicContact SD-CB 4.4Å; M276-F299 HydrophobicContact CE-CE2 4.43Å; M276-F299 HydrophobicContact CE-CZ 4.06Å; V280-F299 HydrophobicContact CG2-CD2 4.35Å; V280-F299 HydrophobicContact CG2-CE2 4.12Å; F299-P344 HydrophobicContact CE1-CG 4.33Å; F299-A345 CarbonylContact O-C 3.56Å; F299-A345 VanDerWaalsContact O-CA 3.24Å; F299-A345 WeakPolarHBondContact O-CA 3.46Å; F299-L346 HydrophobicContact CB-CB 4.29Å; F299-L346 HydrophobicContact CD1-CD1 4.48Å; F299-L346 PolarHBondContact N-O 3.13Å; F299-L346 PolarHBondContact O-N 2.64Å |
| 300 | T | 98.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.8 | 173.7 | 171.7 | -172.6 | 0 | 0 | 0 | 0 | 112.6 | I41 L42 A43 F77 V343 P344 V365 I368 | I41-T300 PolarHBondContact O-N 3.35Å; L42-T300 CarbonylContact C-O 3.56Å; L42-T300 WeakPolarHBondContact CA-O 3.4Å; L42-T300 HydrophobicContact CD1-CG2 3.64Å; A43-T300 PolarHBondContact N-O 2.94Å; F77-T300 HydrophobicContact CE1-CG2 4.31Å; F77-T300 WeakPolarHBondContact CE1-OG1 3.49Å; T300-V343 WeakPolarHBondContact OG1-CG2 3.43Å; T300-P344 WeakPolarHBondContact CA-O 3.46Å; T300-P344 PolarHBondContact OG1-O 3.09Å; T300-V365 HydrophobicContact CG2-CG2 4.17Å; T300-I368 HydrophobicContact CG2-CD1 4.12Å |
| 301 | G | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 158.7 | 166.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | A43 P344 | A43-G301 CarbonylContact O-C 3.24Å; A43-G301 WeakPolarHBondContact O-CA 3.38Å; G301-P344 PolarHBondContact N-O 3.44Å |
| 302 | D | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -85.9 | -29 | 176.1 | 71.6 | -14.1 | 0 | 0 | 0 | 114 | L42 A43 D44 D45 A79 S87 R88 | L42-D302 HydrophobicContact CD1-CB 4.01Å; L42-D302 HydrophobicContact CD2-CB 3.88Å; L42-D302 HydrophobicContact CG-CB 3.99Å; A43-D302 PolarHBondContact O-N 3.38Å; D44-D302 WeakPolarHBondContact CA-OD1 3.23Å; D44-D302 VanDerWaalsContact OD1-OD2 3.08Å; D45-D302 PolarHBondContact N-OD1 3.12Å; D45-D302 VanDerWaalsContact N-OD1 3.1Å; A79-D302 WeakPolarHBondContact CB-O 3.41Å; S87-D302 WeakPolarHBondContact CB-O 3.31Å; S87-D302 PolarHBondContact OG-O 2.91Å; R88-D302 IonicContact CZ-OD2 2.66Å; R88-D302 IonicContact NE-OD2 3.82Å; R88-D302 PolarHBondContact NE-OD2 3.43Å; R88-D302 IonicContact NH2-OD2 2.9Å; R88-D302 PolarHBondContact NH2-OD2 3.46Å |
| 303 | N | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -162.9 | 175.2 | 171.4 | 49.1 | -119.9 | 0 | 0 | 0 | 110.5 | D45 M46 T83 C84 | D45-N303 PolarHBondContact OD1-ND2 3.21Å; M46-N303 VanDerWaalsContact O-O 3.13Å; T83-N303 WeakPolarHBondContact CA-OD1 3.36Å; C84-N303 PolarHBondContact N-OD1 3.37Å; C84-N303 VanDerWaalsContact N-OD1 3.17Å |
| 304 | G | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 10% | 0.095 | C | C | . | . | trans | -65.9 | 178 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114 | G339 G340 | G304-G339 WeakPolarHBondContact CA-O 3.33Å; G304-G340 PolarHBondContact N-O 3.39Å | ||
| 305 | P | 98.1 | Very high | 97.1 | Very high | 2 Ų | 2 | 16.8 Ų | 16.8 | 1% | 0.013 | 9% | 0.094 | C | C | . | . | trans | -75.3 | 148.9 | -171.9 | 31.3 | -33.5 | 0 | 0 | 0 | 112.7 | D45 A307 G314 V316 A332 K333 G339 | D45-P305 WeakPolarHBondContact O-CA 3.13Å; P305-A307 PolarHBondContact O-N 2.81Å; P305-G314 VanDerWaalsContact CB-C 3.41Å; P305-G314 WeakPolarHBondContact CB-O 3.29Å; P305-V316 HydrophobicContact CG-CG1 3.6Å; P305-A332 HydrophobicContact CG-CB 4.11Å; P305-A332 WeakPolarHBondContact O-CB 3.24Å; P305-K333 WeakPolarHBondContact O-CB 3.08Å; P305-K333 PolarHBondContact O-N 3.2Å; P305-K333 VanDerWaalsContact O-N 3.13Å; P305-G339 WeakPolarHBondContact CD-O 3.4Å | ||
| 306 | W | 97.3 | Very high | 97.1 | Very high | 40 Ų | 40 | 18 Ų | 18 | 15% | 0.152 | 10% | 0.102 | C | C | . | . | trans | -84.4 | 80.2 | 179.4 | -164.7 | 2 | 0 | 0 | 0 | 112 | H251 V252 E308 K309 A313 K333 | H251-W306 AromaticContact CE1-CE3 3.9Å; H251-W306 AromaticContact CE1-CZ3 3.43Å; H251-W306 VanDerWaalsContact CE1-CZ3 3.43Å; H251-W306 WeakPolarHBondContact CE1-CZ3 3.3Å; H251-W306 AromaticContact NE2-CE3 3.91Å; H251-W306 AromaticContact NE2-CZ3 3.74Å; V252-W306 HydrophobicContact CG2-CE3 3.92Å; V252-W306 HydrophobicContact CG2-CZ3 3.89Å; W306-E308 PolarHBondContact NE1-OE2 3.49Å; W306-E308 VanDerWaalsContact NE1-OE2 3.08Å; W306-E308 PolarHBondContact O-N 3.42Å; W306-K309 HydrophobicContact CB-CG 4.16Å; W306-K309 HydrophobicContact CD2-CD 4.35Å; W306-K309 HydrophobicContact CD2-CG 3.79Å; W306-K309 HydrophobicContact CE3-CD 4.39Å; W306-K309 HydrophobicContact CE3-CG 3.93Å; W306-K309 HydrophobicContact CG-CG 3.9Å; W306-K309 VanDerWaalsContact CH2-CE 3.42Å; W306-K309 VanDerWaalsContact CZ3-CE 3.45Å; W306-K309 WeakPolarHBondContact O-CB 3.2Å; W306-K309 PolarHBondContact O-N 3.03Å; W306-A313 WeakPolarHBondContact O-CB 3.09Å; W306-K333 HydrophobicContact CB-CD 3.75Å; W306-K333 HydrophobicContact CD2-CD 4.36Å; W306-K333 HydrophobicContact CG-CD 3.86Å | ||
| 307 | A | 96.6 | Very high | 97 | Very high | 26 Ų | 26 | 18.3 Ų | 18.3 | 22% | 0.215 | 11% | 0.106 | C | C | . | . | G | 310 helix | trans | -55.7 | -25.3 | -171.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | P305 K309 C310 S330 A332 C440 | P305-A307 PolarHBondContact O-N 2.81Å; A307-K309 PolarHBondContact O-N 3.01Å; A307-K309 VanDerWaalsContact O-N 3.16Å; A307-C310 PolarHBondContact O-N 3.46Å; A307-C310 VanDerWaalsContact O-N 3.16Å; A307-S330 WeakPolarHBondContact CB-OG 3.43Å; A307-A332 HydrophobicContact CB-CB 4.1Å; A307-C440 PolarHBondContact O-N 2.89Å |
| 308 | E | 95.6 | Very high | 96.9 | Very high | 47 Ų | 47 | 19.5 Ų | 19.5 | 22% | 0.22 | 12% | 0.116 | C | C | . | . | G | 310 helix | trans | -56.1 | -25.4 | 172.1 | -171.9 | 178.4 | 176 | 0 | 0 | 112.5 | W306 C310 R438 | W306-E308 PolarHBondContact NE1-OE2 3.49Å; W306-E308 VanDerWaalsContact NE1-OE2 3.08Å; W306-E308 PolarHBondContact O-N 3.42Å; E308-C310 PolarHBondContact O-N 3.2Å; E308-R438 HydrophobicContact CG-CB 4.39Å; E308-R438 HydrophobicContact CG-CG 4.21Å; E308-R438 WeakPolarHBondContact OE1-CD 3.41Å; E308-R438 IonicContact OE1-NE 3.79Å |
| 309 | K | 95.3 | Very high | 96.9 | Very high | 14 Ų | 14 | 19.9 Ų | 19.9 | 6% | 0.061 | 12% | 0.118 | C | C | . | . | G | 310 helix | trans | -83.7 | 11.5 | -179.2 | -52.9 | -58.7 | -177 | 172.9 | 0 | 114 | N174 H175 V252 W306 A307 E311 L312 A313 | N174-K309 PolarHBondContact OD1-NZ 3.3Å; H175-K309 VanDerWaalsContact O-CD 3.24Å; H175-K309 WeakPolarHBondContact O-CD 3.42Å; H175-K309 PolarHBondContact O-NZ 3.4Å; V252-K309 HydrophobicContact CG1-CB 4.02Å; V252-K309 HydrophobicContact CG1-CG 4.09Å; V252-K309 HydrophobicContact CG2-CB 4.5Å; V252-K309 HydrophobicContact CG2-CD 3.73Å; V252-K309 HydrophobicContact CG2-CG 3.66Å; W306-K309 HydrophobicContact CB-CG 4.16Å; W306-K309 HydrophobicContact CD2-CD 4.35Å; W306-K309 HydrophobicContact CD2-CG 3.79Å; W306-K309 HydrophobicContact CE3-CD 4.39Å; W306-K309 HydrophobicContact CE3-CG 3.93Å; W306-K309 HydrophobicContact CG-CG 3.9Å; W306-K309 VanDerWaalsContact CH2-CE 3.42Å; W306-K309 VanDerWaalsContact CZ3-CE 3.45Å; W306-K309 WeakPolarHBondContact O-CB 3.2Å; W306-K309 PolarHBondContact O-N 3.03Å; A307-K309 PolarHBondContact O-N 3.01Å; A307-K309 VanDerWaalsContact O-N 3.16Å; K309-E311 PolarHBondContact O-N 2.86Å; K309-L312 HydrophobicContact CB-CB 4.38Å; K309-L312 WeakPolarHBondContact O-CB 3.29Å; K309-L312 PolarHBondContact O-N 2.63Å; K309-A313 HydrophobicContact CB-CB 4.32Å |
| 310 | C | 94.3 | Very high | 96.8 | Very high | 29 Ų | 29 | 22.6 Ų | 22.6 | 20% | 0.196 | 13% | 0.134 | C | C | . | . | G | 310 helix | trans | 54.6 | -128 | 171.1 | -61.6 | 0 | 0 | 0 | 0 | 112.4 | H175 A307 E308 L312 A313 C440 | H175-C310 PolarHBondContact CD2-SG 2.96Å; A307-C310 PolarHBondContact O-N 3.46Å; A307-C310 VanDerWaalsContact O-N 3.16Å; E308-C310 PolarHBondContact O-N 3.2Å; C310-L312 PolarHBondContact O-N 3.48Å; C310-L312 VanDerWaalsContact O-N 3.13Å; C310-A313 WeakPolarHBondContact O-CB 3.35Å; C310-A313 PolarHBondContact O-N 2.88Å; C310-C440 VanDerWaalsContact CA-SG 3.53Å; C310-C440 HydrophobicContact CB-CB 3.89Å; C310-C440 WeakPolarHBondContact CB-SG 3.29Å; C310-C440 VanDerWaalsContact SG-CA 3.52Å; C310-C440 WeakPolarHBondContact SG-CB 3.33Å; C310-C440 CovalentContact SG-SG 2.02Å; C310-C440 PolarHBondContact SG-SG 3.4Å |
| 311 | E | 93.1 | Very high | 96.8 | Very high | 121 Ų | 121 | 22.6 Ų | 22.6 | 57% | 0.565 | 13% | 0.134 | S | C | * | . | G | 310 helix | trans | -66.8 | -6.1 | 179.4 | 64.4 | -161 | -149.6 | 0 | 0 | 115.2 | K309 | K309-E311 PolarHBondContact O-N 2.86Š|
| 312 | L | 94.5 | Very high | 96.8 | Very high | 10 Ų | 10 | 24.1 Ų | 24.1 | 5% | 0.052 | 14% | 0.143 | C | C | . | . | G | 310 helix | trans | -96.9 | 0.4 | 173.1 | -50 | 174.6 | 0 | 0 | 0 | 112.3 | N174 H175 V252 L254 L268 Y269 K309 C310 | N174-L312 VanDerWaalsContact C-CD1 3.4Å; H175-L312 HydrophobicContact CB-CD1 4.23Å; V252-L312 HydrophobicContact CG1-CB 3.86Å; L254-L312 HydrophobicContact CD1-CB 4.22Å; L254-L312 HydrophobicContact CD1-CD2 4.06Å; L268-L312 HydrophobicContact CB-CD2 3.94Å; L268-L312 HydrophobicContact CD1-CD2 3.82Å; Y269-L312 VanDerWaalsContact CD2-O 3.27Å; Y269-L312 WeakPolarHBondContact CD2-O 3.48Å; K309-L312 HydrophobicContact CB-CB 4.38Å; K309-L312 WeakPolarHBondContact O-CB 3.29Å; K309-L312 PolarHBondContact O-N 2.63Å; C310-L312 PolarHBondContact O-N 3.48Å; C310-L312 VanDerWaalsContact O-N 3.13Å |
| 313 | A | 95.9 | Very high | 96.7 | Very high | 19 Ų | 19 | 25 Ų | 25 | 16% | 0.157 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -94.9 | 153.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | W306 K309 C310 | W306-A313 WeakPolarHBondContact O-CB 3.09Å; K309-A313 HydrophobicContact CB-CB 4.32Å; C310-A313 WeakPolarHBondContact O-CB 3.35Å; C310-A313 PolarHBondContact O-N 2.88Å |
| 314 | G | 95.9 | Very high | 96.7 | Very high | 17 Ų | 17 | 25 Ų | 25 | 18% | 0.175 | 15% | 0.147 | C | C | . | . | trans | -73 | -174.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | D50 Y269 P305 | D50-G314 WeakPolarHBondContact OD1-CA 3.38Å; D50-G314 WeakPolarHBondContact OD2-CA 3.11Å; Y269-G314 VanDerWaalsContact CE2-N 3.3Å; Y269-G314 WeakPolarHBondContact OH-CA 3.47Å; P305-G314 VanDerWaalsContact CB-C 3.41Å; P305-G314 WeakPolarHBondContact CB-O 3.29Å | ||
| 315 | S | 97 | Very high | 96.6 | Very high | 21 Ų | 21 | 27.4 Ų | 27.4 | 15% | 0.147 | 17% | 0.167 | C | C | . | . | trans | -110.1 | 129.8 | -173.4 | -176.7 | 0 | 0 | 0 | 0 | 112.2 | G47 G49 D50 G317 | G47-S315 CarbonylContact C-O 3.58Å; G47-S315 VanDerWaalsContact CA-O 3.31Å; G47-S315 WeakPolarHBondContact CA-O 3.43Å; G49-S315 WeakPolarHBondContact CA-O 3.18Å; G49-S315 PolarHBondContact N-O 3.3Å; D50-S315 WeakPolarHBondContact OD1-CB 3.29Å; D50-S315 PolarHBondContact OD1-N 2.85Å; D50-S315 PolarHBondContact OD2-N 2.78Å; S315-G317 PolarHBondContact O-N 3.32Å; S315-G317 PolarHBondContact OG-N 2.89Å | ||
| 316 | V | 97.5 | Very high | 96.5 | Very high | 27 Ų | 27 | 36.4 Ų | 36.4 | 16% | 0.164 | 20% | 0.2 | C | C | . | . | trans | -74.3 | -5.6 | 169.9 | -60.6 | 0 | 0 | 0 | 0 | 113 | P305 A318 F319 T320 A332 | P305-V316 HydrophobicContact CG-CG1 3.6Å; V316-A318 PolarHBondContact O-N 2.63Å; V316-F319 WeakPolarHBondContact O-CD2 3.43Å; V316-F319 PolarHBondContact O-N 3.33Å; V316-T320 HydrophobicContact CG2-CG2 4.27Å; V316-A332 HydrophobicContact CG1-CB 3.88Å | ||
| 317 | G | 97.1 | Very high | 96.5 | Very high | 9 Ų | 9 | 39.9 Ų | 39.9 | 9% | 0.093 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.5 | -129.9 | -173.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | S315 F319 | S315-G317 PolarHBondContact O-N 3.32Å; S315-G317 PolarHBondContact OG-N 2.89Å; G317-F319 VanDerWaalsContact C-N 3.28Å; G317-F319 PolarHBondContact O-N 2.94Å |
| 318 | A | 96.7 | Very high | 96.5 | Very high | 26 Ų | 26 | 39.6 Ų | 39.6 | 22% | 0.215 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -12.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | W55 V316 T320 I462 | W55-A318 HydrophobicContact CZ3-CB 4.22Å; V316-A318 PolarHBondContact O-N 2.63Å; A318-T320 VanDerWaalsContact C-N 3.25Å; A318-T320 PolarHBondContact O-N 2.88Å; A318-I462 HydrophobicContact CB-CD1 3.62Å |
| 319 | F | 98.1 | Very high | 96.6 | Very high | 10 Ų | 10 | 37.8 Ų | 37.8 | 4% | 0.044 | 21% | 0.207 | C | C | . | . | trans | -84.6 | 62.2 | -173.2 | -57.1 | -61.6 | 0 | 0 | 0 | 112.4 | W48 V316 G317 G321 E338 R342 I462 | W48-F319 HydrophobicContact CB-CD2 4.11Å; W48-F319 HydrophobicContact CB-CE2 4.24Å; W48-F319 HydrophobicContact CD2-CD2 4.12Å; W48-F319 AromaticContact CD2-CE2 3.48Å; W48-F319 HydrophobicContact CD2-CE2 3.48Å; W48-F319 VanDerWaalsContact CD2-CE2 3.48Å; W48-F319 AromaticContact CE2-CE2 3.73Å; W48-F319 HydrophobicContact CE3-CD2 4.27Å; W48-F319 AromaticContact CE3-CE2 3.81Å; W48-F319 HydrophobicContact CE3-CE2 3.81Å; W48-F319 HydrophobicContact CG-CD2 4.05Å; W48-F319 AromaticContact CG-CE2 3.67Å; W48-F319 HydrophobicContact CG-CE2 3.67Å; W48-F319 HydrophobicContact CZ2-CE2 4.28Å; W48-F319 HydrophobicContact CZ3-CE2 4.34Å; W48-F319 AromaticContact NE1-CE2 3.99Å; V316-F319 WeakPolarHBondContact O-CD2 3.43Å; V316-F319 PolarHBondContact O-N 3.33Å; G317-F319 VanDerWaalsContact C-N 3.28Å; G317-F319 PolarHBondContact O-N 2.94Å; F319-G321 PolarHBondContact O-N 3.22Å; F319-E338 HydrophobicContact CB-CB 3.7Å; F319-E338 HydrophobicContact CD1-CB 3.8Å; F319-E338 HydrophobicContact CD1-CG 4.3Å; F319-E338 HydrophobicContact CG-CB 3.94Å; F319-R342 HydrophobicContact CD2-CG 4.43Å; F319-R342 HydrophobicContact CE2-CG 4.17Å; F319-I462 HydrophobicContact CD1-CB 4.37Å; F319-I462 WeakPolarHBondContact CD1-O 3.31Å; F319-I462 HydrophobicContact CE1-CB 3.96Å; F319-I462 HydrophobicContact CE1-CG2 4.44Å | ||
| 320 | T | 97.5 | Very high | 96.7 | Very high | 57 Ų | 57 | 37.6 Ų | 37.6 | 35% | 0.35 | 21% | 0.208 | S | C | . | . | trans | -86.2 | 0.7 | -166 | 53.2 | 0 | 0 | 0 | 0 | 115.2 | V316 A318 V322 P331 | V316-T320 HydrophobicContact CG2-CG2 4.27Å; A318-T320 VanDerWaalsContact C-N 3.25Å; A318-T320 PolarHBondContact O-N 2.88Å; T320-V322 VanDerWaalsContact C-N 3.28Å; T320-V322 PolarHBondContact O-N 2.59Å; T320-V322 WeakPolarHBondContact OG1-CG2 3.31Å; T320-P331 WeakPolarHBondContact O-CG 3.24Å | ||
| 321 | G | 97.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | trans | 48.1 | 47 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | F319 W323 Q324 A325 A463 | F319-G321 PolarHBondContact O-N 3.22Å; G321-W323 PolarHBondContact O-N 2.88Å; G321-W323 VanDerWaalsContact O-N 3.13Å; G321-Q324 WeakPolarHBondContact O-CA 3.42Å; G321-Q324 WeakPolarHBondContact O-CB 3.39Å; G321-Q324 PolarHBondContact O-N 3.29Å; G321-A325 PolarHBondContact O-N 2.88Å; G321-A463 CarbonylContact C-O 3.56Å; G321-A463 VanDerWaalsContact CA-O 3.25Å; G321-A463 WeakPolarHBondContact CA-O 3.35Å; G321-A463 PolarHBondContact N-O 2.87Å; G321-A463 VanDerWaalsContact N-O 3.14Å | ||
| 322 | V | 98.2 | Very high | 97.1 | Very high | 31 Ų | 31 | 31.1 Ų | 31.1 | 19% | 0.188 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -56.7 | -36.5 | -165.5 | 170.3 | 0 | 0 | 0 | 0 | 112.1 | T320 Q324 A325 R326 A463 A465 | T320-V322 VanDerWaalsContact C-N 3.28Å; T320-V322 PolarHBondContact O-N 2.59Å; T320-V322 WeakPolarHBondContact OG1-CG2 3.31Å; V322-Q324 VanDerWaalsContact C-N 3.29Å; V322-Q324 PolarHBondContact O-N 3.24Å; V322-A325 PolarHBondContact O-N 3.05Å; V322-R326 HydrophobicContact CG1-CG 4.35Å; V322-R326 WeakPolarHBondContact O-CB 3.47Å; V322-R326 VanDerWaalsContact O-CG 3.3Å; V322-R326 WeakPolarHBondContact O-CG 3.38Å; V322-R326 PolarHBondContact O-N 2.84Å; V322-R326 VanDerWaalsContact O-N 3.09Å; V322-A463 HydrophobicContact CG2-CB 4.05Å; V322-A463 PolarHBondContact N-O 2.75Å; V322-A465 HydrophobicContact CB-CB 3.79Å; V322-A465 HydrophobicContact CG1-CB 3.97Å; V322-A465 HydrophobicContact CG2-CB 4.43Å |
| 323 | W | 98.2 | Very high | 97.3 | Very high | 19 Ų | 19 | 31.1 Ų | 31.1 | 7% | 0.072 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -59.1 | -42.3 | 176.5 | -174.2 | 99.5 | 0 | 0 | 0 | 112 | G321 R327 W337 T434 L448 L454 F456 E464 | G321-W323 PolarHBondContact O-N 2.88Å; G321-W323 VanDerWaalsContact O-N 3.13Å; W323-R327 VanDerWaalsContact CZ2-NE 3.34Å; W323-R327 PolarHBondContact O-NH1 3.17Å; W323-W337 HydrophobicContact CB-CH2 4.39Å; W323-W337 HydrophobicContact CD2-CH2 4.15Å; W323-W337 AromaticContact CE3-CH2 3.47Å; W323-W337 HydrophobicContact CE3-CH2 3.47Å; W323-W337 VanDerWaalsContact CE3-CH2 3.47Å; W323-W337 AromaticContact CE3-CZ2 3.71Å; W323-W337 HydrophobicContact CE3-CZ2 3.71Å; W323-W337 HydrophobicContact CZ3-CH2 4.11Å; W323-W337 HydrophobicContact CZ3-CZ2 4.04Å; W323-T434 HydrophobicContact CH2-CG2 4.43Å; W323-T434 HydrophobicContact CZ3-CG2 4.06Å; W323-L448 HydrophobicContact CH2-CD1 3.8Å; W323-L448 HydrophobicContact CZ3-CD1 4.47Å; W323-L454 HydrophobicContact CD2-CD1 4.2Å; W323-L454 HydrophobicContact CE3-CD1 4.45Å; W323-L454 HydrophobicContact CH2-CD1 3.66Å; W323-L454 HydrophobicContact CZ2-CD1 3.33Å; W323-L454 HydrophobicContact CZ3-CD1 4.21Å; W323-F456 HydrophobicContact CB-CE1 4.11Å; W323-F456 HydrophobicContact CB-CZ 4.01Å; W323-F456 HydrophobicContact CG-CE1 4.37Å; W323-F456 AromaticContact CG-CZ 3.98Å; W323-F456 HydrophobicContact CG-CZ 3.98Å; W323-E464 WeakPolarHBondContact CB-O 3.43Å; W323-E464 PolarHBondContact N-O 3.13Å |
| 324 | Q | 97.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -74.2 | -47.2 | 177.6 | -175.6 | 55.9 | 59.3 | 0 | 0 | 111.5 | G321 V322 R326 R327 G328 W337 G435 G445 | G321-Q324 WeakPolarHBondContact O-CA 3.42Å; G321-Q324 WeakPolarHBondContact O-CB 3.39Å; G321-Q324 PolarHBondContact O-N 3.29Å; V322-Q324 VanDerWaalsContact C-N 3.29Å; V322-Q324 PolarHBondContact O-N 3.24Å; Q324-R326 PolarHBondContact O-N 3.01Å; Q324-R327 CarbonylContact O-C 3.6Å; Q324-R327 WeakPolarHBondContact O-CA 3.29Å; Q324-R327 WeakPolarHBondContact O-CB 3.35Å; Q324-R327 PolarHBondContact O-N 3.31Å; Q324-G328 PolarHBondContact NE2-O 3Å; Q324-G328 PolarHBondContact O-N 3.34Å; Q324-W337 HydrophobicContact CB-CD2 4.08Å; Q324-W337 VanDerWaalsContact CB-CE2 3.47Å; Q324-W337 HydrophobicContact CB-CH2 4.29Å; Q324-W337 HydrophobicContact CB-CZ2 3.6Å; Q324-W337 HydrophobicContact CG-CZ2 4.19Å; Q324-G435 VanDerWaalsContact CD-C 3.45Å; Q324-G435 VanDerWaalsContact OE1-C 3.27Å; Q324-G435 PolarHBondContact OE1-O 3.01Å; Q324-G445 VanDerWaalsContact NE2-CA 3.33Å |
| 325 | A | 96.1 | Very high | 97.5 | Very high | 51 Ų | 51 | 32.5 Ų | 32.5 | 42% | 0.421 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -56.2 | -37.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112 | G321 V322 R327 G328 | G321-A325 PolarHBondContact O-N 2.88Å; V322-A325 PolarHBondContact O-N 3.05Å; A325-R327 PolarHBondContact O-N 3.39Å; A325-G328 PolarHBondContact O-N 3.45Å |
| 326 | R | 96.9 | Very high | 97.6 | Very high | 191 Ų | 191 | 32 Ų | 32 | 72% | 0.721 | 17% | 0.17 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -14.6 | 174.5 | -72.9 | 176.5 | 179.8 | 178.1 | 2.9 | 114.6 | V322 Q324 | V322-R326 HydrophobicContact CG1-CG 4.35Å; V322-R326 WeakPolarHBondContact O-CB 3.47Å; V322-R326 VanDerWaalsContact O-CG 3.3Å; V322-R326 WeakPolarHBondContact O-CG 3.38Å; V322-R326 PolarHBondContact O-N 2.84Å; V322-R326 VanDerWaalsContact O-N 3.09Å; Q324-R326 PolarHBondContact O-N 3.01Å |
| 327 | R | 96.6 | Very high | 97.7 | Very high | 112 Ų | 112 | 30.7 Ų | 30.7 | 42% | 0.423 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.1 | 4 | 178.5 | -67.8 | 171.8 | 173.3 | 74.7 | 0.6 | 112.7 | W323 Q324 A325 P446 | W323-R327 VanDerWaalsContact CZ2-NE 3.34Å; W323-R327 PolarHBondContact O-NH1 3.17Å; Q324-R327 CarbonylContact O-C 3.6Å; Q324-R327 WeakPolarHBondContact O-CA 3.29Å; Q324-R327 WeakPolarHBondContact O-CB 3.35Å; Q324-R327 PolarHBondContact O-N 3.31Å; A325-R327 PolarHBondContact O-N 3.39Å; R327-P446 WeakPolarHBondContact O-CD 3.37Å |
| 328 | G | 96.6 | Very high | 97.8 | Very high | 20 Ų | 20 | 30.2 Ų | 30.2 | 21% | 0.206 | 16% | 0.158 | C | C | . | . | S | Bend | trans | 96.1 | 163.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q324 A325 G445 | Q324-G328 PolarHBondContact NE2-O 3Å; Q324-G328 PolarHBondContact O-N 3.34Å; A325-G328 PolarHBondContact O-N 3.45Å; G328-G445 VanDerWaalsContact C-CA 3.48Å; G328-G445 WeakPolarHBondContact O-CA 3.4Å; G328-G445 PolarHBondContact O-N 3.28Å |
| 329 | G | 97.3 | Very high | 97.8 | Very high | 9 Ų | 9 | 29.1 Ų | 29.1 | 9% | 0.093 | 15% | 0.148 | C | C | . | . | S | Bend | trans | 71.4 | -173.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114 | A437 S443 | G329-A437 CarbonylContact C-O 3.29Å; G329-A437 WeakPolarHBondContact CA-O 3.39Å; G329-S443 PolarHBondContact N-OG 3.33Å; G329-S443 VanDerWaalsContact N-OG 3.13Å |
| 330 | S | 97.9 | Very high | 97.9 | Very high | 11 Ų | 11 | 28.6 Ų | 28.6 | 8% | 0.077 | 15% | 0.146 | C | C | . | . | B | Isolated β-bridge | trans | -111.3 | 142.9 | -177.9 | 176.9 | 0 | 0 | 0 | 0 | 111.7 | A307 A332 T335 G436 A437 | A307-S330 WeakPolarHBondContact CB-OG 3.43Å; S330-A332 VanDerWaalsContact C-N 3.27Å; S330-A332 WeakPolarHBondContact OG-CB 3.14Å; S330-A332 PolarHBondContact OG-N 3.01Å; S330-A332 VanDerWaalsContact OG-N 3.14Å; S330-T335 WeakPolarHBondContact O-CG2 3.41Å; S330-G436 CarbonylContact O-C 3.6Å; S330-G436 WeakPolarHBondContact O-CA 3.18Å; S330-A437 PolarHBondContact N-O 2.96Å; S330-A437 PolarHBondContact O-N 3.42Å |
| 331 | P | 97.9 | Very high | 97.9 | Very high | 12 Ų | 12 | 26 Ų | 26 | 8% | 0.078 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -88 | 14.8 | 171.2 | 38.9 | -37.6 | 0 | 0 | 0 | 113.2 | T320 T335 W337 G339 G340 | T320-P331 WeakPolarHBondContact O-CG 3.24Å; P331-T335 PolarHBondContact O-OG1 2.75Å; P331-W337 HydrophobicContact CB-CB 3.63Å; P331-W337 HydrophobicContact CB-CG 3.83Å; P331-W337 WeakPolarHBondContact O-CB 3.22Å; P331-G339 CarbonylContact O-C 3.53Å; P331-G340 PolarHBondContact O-N 2.88Å; P331-G340 VanDerWaalsContact O-N 3.1Å |
| 332 | A | 98.1 | Very high | 98 | Very high | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.008 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -91.8 | -144.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112 | P305 A307 V316 S330 T335 G340 | P305-A332 HydrophobicContact CG-CB 4.11Å; P305-A332 WeakPolarHBondContact O-CB 3.24Å; A307-A332 HydrophobicContact CB-CB 4.1Å; V316-A332 HydrophobicContact CG1-CB 3.88Å; S330-A332 VanDerWaalsContact C-N 3.27Å; S330-A332 WeakPolarHBondContact OG-CB 3.14Å; S330-A332 PolarHBondContact OG-N 3.01Å; S330-A332 VanDerWaalsContact OG-N 3.14Å; A332-T335 WeakPolarHBondContact O-CB 3.34Å; A332-T335 WeakPolarHBondContact O-CG2 3.19Å; A332-T335 PolarHBondContact O-N 3.38Å; A332-T335 VanDerWaalsContact O-N 3.16Å; A332-T335 PolarHBondContact O-OG1 2.93Å; A332-G340 WeakPolarHBondContact O-CA 3.47Å |
| 333 | K | 98.4 | Very high | 98 | Very high | 10 Ų | 10 | 25 Ų | 25 | 4% | 0.043 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -40.6 | 143.4 | 178.4 | -170.9 | 179.9 | 179.5 | 174.6 | 0 | 112.1 | D45 S82 H251 P305 W306 T335 A437 | D45-K333 WeakPolarHBondContact OD1-CD 3.12Å; D45-K333 WeakPolarHBondContact OD1-CE 3.35Å; D45-K333 IonicContact OD1-NZ 3.28Å; D45-K333 PolarHBondContact OD1-NZ 3.48Å; D45-K333 IonicContact OD2-NZ 3.77Å; D45-K333 PolarHBondContact OD2-NZ 3.09Å; S82-K333 WeakPolarHBondContact O-CG 3.34Å; S82-K333 WeakPolarHBondContact OG-CA 3.27Å; H251-K333 PolarHBondContact CD2-NZ 3.4Å; H251-K333 PolarHBondContact NE2-NZ 3.29Å; P305-K333 WeakPolarHBondContact O-CB 3.08Å; P305-K333 PolarHBondContact O-N 3.2Å; P305-K333 VanDerWaalsContact O-N 3.13Å; W306-K333 HydrophobicContact CB-CD 3.75Å; W306-K333 HydrophobicContact CD2-CD 4.36Å; W306-K333 HydrophobicContact CG-CD 3.86Å; K333-T335 VanDerWaalsContact C-N 3.29Å; K333-A437 WeakPolarHBondContact O-CB 3.35Å |
| 334 | Q | 98.3 | Very high | 98 | Very high | 62 Ų | 62 | 24.1 Ų | 24.1 | 29% | 0.29 | 12% | 0.119 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.9 | -3.5 | -173.4 | -53.3 | -179.9 | -33.2 | 0 | 0 | 116.4 | S82 T83 S411 A413 A437 | S82-Q334 WeakPolarHBondContact O-CA 3.35Å; S82-Q334 PolarHBondContact O-N 3.03Å; S82-Q334 PolarHBondContact OG-N 3.39Å; T83-Q334 HydrophobicContact CG2-CG 4.14Å; Q334-S411 WeakPolarHBondContact CA-O 3.44Å; Q334-S411 WeakPolarHBondContact CB-O 3.39Å; Q334-S411 CarbonylContact O-C 3.56Å; Q334-S411 VanDerWaalsContact O-C 3.24Å; Q334-A413 HydrophobicContact CB-CB 4.41Å; Q334-A413 VanDerWaalsContact O-CB 3.23Å; Q334-A413 WeakPolarHBondContact O-CB 3.48Å; Q334-A413 PolarHBondContact O-N 3.25Å; Q334-A413 VanDerWaalsContact O-N 3.07Å; Q334-A437 HydrophobicContact CB-CB 4.11Å |
| 335 | T | 98.6 | Very high | 98 | Very high | 3 Ų | 3 | 24.1 Ų | 24.1 | 2% | 0.018 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -110.8 | 165 | -179.8 | 79.5 | 0 | 0 | 0 | 0 | 113.4 | S82 S330 P331 A332 K333 W337 A413 A437 | S82-T335 WeakPolarHBondContact CB-O 3.47Å; S82-T335 PolarHBondContact OG-N 2.86Å; S82-T335 PolarHBondContact OG-O 2.77Å; S330-T335 WeakPolarHBondContact O-CG2 3.41Å; P331-T335 PolarHBondContact O-OG1 2.75Å; A332-T335 WeakPolarHBondContact O-CB 3.34Å; A332-T335 WeakPolarHBondContact O-CG2 3.19Å; A332-T335 PolarHBondContact O-N 3.38Å; A332-T335 VanDerWaalsContact O-N 3.16Å; A332-T335 PolarHBondContact O-OG1 2.93Å; K333-T335 VanDerWaalsContact C-N 3.29Å; T335-W337 PolarHBondContact OG1-N 3.12Å; T335-A413 HydrophobicContact CG2-CB 3.67Å; T335-A437 HydrophobicContact CG2-CB 3.74Å |
| 336 | T | 98.5 | Very high | 98.2 | Very high | 10 Ų | 10 | 21.7 Ų | 21.7 | 6% | 0.061 | 10% | 0.099 | C | C | . | . | S | Bend | trans | -95.7 | 6.5 | 172.7 | 59 | 0 | 0 | 0 | 0 | 113 | H341 H408 T422 K429 F431 | T336-H341 PolarHBondContact O-CD2 2.92Å; T336-H341 PolarHBondContact O-NE2 3.42Å; T336-H408 HydrophobicContact CG2-CB 4.13Å; T336-H408 WeakPolarHBondContact CG2-O 3.27Å; T336-T422 WeakPolarHBondContact CB-OG1 3.31Å; T336-T422 PolarHBondContact OG1-OG1 3Å; T336-K429 WeakPolarHBondContact O-CE 3.38Å; T336-K429 PolarHBondContact O-NZ 2.76Å; T336-F431 WeakPolarHBondContact OG1-CE1 3.46Å |
| 337 | W | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 7% | 0.065 | C | C | . | . | S | Bend | trans | -69.1 | 158.7 | 170.9 | -60 | 104.5 | 0 | 0 | 0 | 110.8 | W323 Q324 P331 T335 G339 G340 H341 K429 F431 T434 G435 F456 E464 | W323-W337 HydrophobicContact CB-CH2 4.39Å; W323-W337 HydrophobicContact CD2-CH2 4.15Å; W323-W337 AromaticContact CE3-CH2 3.47Å; W323-W337 HydrophobicContact CE3-CH2 3.47Å; W323-W337 VanDerWaalsContact CE3-CH2 3.47Å; W323-W337 AromaticContact CE3-CZ2 3.71Å; W323-W337 HydrophobicContact CE3-CZ2 3.71Å; W323-W337 HydrophobicContact CZ3-CH2 4.11Å; W323-W337 HydrophobicContact CZ3-CZ2 4.04Å; Q324-W337 HydrophobicContact CB-CD2 4.08Å; Q324-W337 VanDerWaalsContact CB-CE2 3.47Å; Q324-W337 HydrophobicContact CB-CH2 4.29Å; Q324-W337 HydrophobicContact CB-CZ2 3.6Å; Q324-W337 HydrophobicContact CG-CZ2 4.19Å; P331-W337 HydrophobicContact CB-CB 3.63Å; P331-W337 HydrophobicContact CB-CG 3.83Å; P331-W337 WeakPolarHBondContact O-CB 3.22Å; T335-W337 PolarHBondContact OG1-N 3.12Å; W337-G339 PolarHBondContact O-N 2.75Å; W337-G340 PolarHBondContact O-N 3.4Å; W337-H341 PolarHBondContact O-CD2 2.78Å; W337-H341 PolarHBondContact O-NE2 3.26Å; W337-K429 VanDerWaalsContact C-NZ 3.31Å; W337-F431 HydrophobicContact CD2-CE1 4.06Å; W337-F431 HydrophobicContact CD2-CZ 4.01Å; W337-F431 HydrophobicContact CE3-CE1 4.04Å; W337-F431 HydrophobicContact CE3-CE2 4.11Å; W337-F431 AromaticContact CE3-CZ 3.54Å; W337-F431 HydrophobicContact CE3-CZ 3.54Å; W337-F431 HydrophobicContact CH2-CZ 4.39Å; W337-F431 HydrophobicContact CZ3-CD2 4.48Å; W337-F431 HydrophobicContact CZ3-CE1 4.28Å; W337-F431 AromaticContact CZ3-CE2 3.89Å; W337-F431 HydrophobicContact CZ3-CE2 3.89Å; W337-F431 AromaticContact CZ3-CZ 3.75Å; W337-F431 HydrophobicContact CZ3-CZ 3.75Å; W337-T434 HydrophobicContact CH2-CG2 3.88Å; W337-T434 HydrophobicContact CZ2-CG2 3.63Å; W337-G435 PolarHBondContact NE1-O 2.72Å; W337-F456 HydrophobicContact CH2-CE2 4.22Å; W337-F456 HydrophobicContact CH2-CZ 4.19Å; W337-F456 AromaticContact CZ3-CE2 3.9Å; W337-F456 HydrophobicContact CZ3-CE2 3.9Å; W337-F456 AromaticContact CZ3-CZ 3.94Å; W337-F456 HydrophobicContact CZ3-CZ 3.94Å; W337-E464 HydrophobicContact CE3-CB 3.98Å; W337-E464 HydrophobicContact CE3-CG 4.37Å; W337-E464 HydrophobicContact CZ3-CB 3.97Å |
| 338 | E | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 7.4 Ų | 7.4 | 0% | 0 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -56.9 | -39.9 | -173.3 | -71.7 | -64.2 | 91.1 | 0 | 0 | 112.1 | H78 F319 G340 H341 R342 K429 L458 E464 | H78-E338 IonicContact CE1-OE1 3.65Å; H78-E338 IonicContact CE1-OE2 2.61Å; F319-E338 HydrophobicContact CB-CB 3.7Å; F319-E338 HydrophobicContact CD1-CB 3.8Å; F319-E338 HydrophobicContact CD1-CG 4.3Å; F319-E338 HydrophobicContact CG-CB 3.94Å; E338-G340 PolarHBondContact O-N 3.19Å; E338-G340 VanDerWaalsContact O-N 3.12Å; E338-H341 PolarHBondContact O-N 3.32Å; E338-H341 IonicContact OE1-CE1 2.64Å; E338-H341 PolarHBondContact OE1-CE1 2.87Å; E338-H341 IonicContact OE1-NE2 3.27Å; E338-R342 WeakPolarHBondContact O-CB 3.35Å; E338-R342 PolarHBondContact O-N 3.12Å; E338-R342 IonicContact OE2-CZ 3.84Å; E338-R342 IonicContact OE2-NE 3.63Å; E338-R342 PolarHBondContact OE2-NE 3.38Å; E338-R342 VanDerWaalsContact OE2-NE 3.12Å; E338-R342 IonicContact OE2-NH1 2.6Å; E338-R342 PolarHBondContact OE2-NH1 3.35Å; E338-R342 IonicContact OE2-NH2 3.13Å; E338-R342 PolarHBondContact OE2-NH2 2.98Å; E338-K429 HydrophobicContact CG-CD 4.46Å; E338-K429 WeakPolarHBondContact OE1-CD 3.28Å; E338-K429 WeakPolarHBondContact OE1-CE 3.36Å; E338-K429 IonicContact OE1-NZ 2.62Å; E338-K429 PolarHBondContact OE1-NZ 3.36Å; E338-L458 VanDerWaalsContact CD-CD1 3.44Å; E338-L458 HydrophobicContact CG-CD1 3.83Å; E338-L458 WeakPolarHBondContact OE2-CD1 3.18Å; E338-E464 WeakPolarHBondContact CB-OE2 3.21Å; E338-E464 VanDerWaalsContact CG-CD 3.48Å; E338-E464 HydrophobicContact CG-CG 4.12Å; E338-E464 WeakPolarHBondContact CG-OE2 3.13Å; E338-E464 PolarHBondContact N-OE2 3.43Å |
| 339 | G | 98.5 | Very high | 98.5 | Very high | 2 Ų | 2 | 7.3 Ų | 7.3 | 2% | 0.021 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -63.5 | -15.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | G304 P305 P331 W337 | G304-G339 WeakPolarHBondContact CA-O 3.33Å; P305-G339 WeakPolarHBondContact CD-O 3.4Å; P331-G339 CarbonylContact O-C 3.53Å; W337-G339 PolarHBondContact O-N 2.75Å |
| 340 | G | 98.4 | Very high | 98.5 | Very high | 0 Ų | 0 | 8 Ų | 8 | 0% | 0 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -88.8 | -26.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | S82 G304 P331 A332 W337 E338 | S82-G340 WeakPolarHBondContact CB-O 3.18Å; S82-G340 WeakPolarHBondContact OG-CA 3.23Å; S82-G340 PolarHBondContact OG-O 2.73Å; G304-G340 PolarHBondContact N-O 3.39Å; P331-G340 PolarHBondContact O-N 2.88Å; P331-G340 VanDerWaalsContact O-N 3.1Å; A332-G340 WeakPolarHBondContact O-CA 3.47Å; W337-G340 PolarHBondContact O-N 3.4Å; E338-G340 PolarHBondContact O-N 3.19Å; E338-G340 VanDerWaalsContact O-N 3.12Å |
| 341 | H | 98.5 | Very high | 98.3 | Very high | 2 Ų | 2 | 11.5 Ų | 11.5 | 1% | 0.009 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -137.3 | -15 | -174 | 61.9 | 78 | 0 | 0 | 0 | 114.6 | H78 A79 T336 W337 E338 V343 H408 K429 | H78-H341 CarbonylContact C-O 3.53Å; H78-H341 WeakPolarHBondContact CA-O 3.4Å; H78-H341 AromaticContact CE1-CE1 3.59Å; H78-H341 AromaticContact CE1-ND1 3.66Å; H78-H341 AromaticContact CG-ND1 3.82Å; H78-H341 AromaticContact ND1-CE1 3.16Å; H78-H341 PolarHBondContact ND1-CE1 2.99Å; H78-H341 AromaticContact ND1-ND1 2.8Å; H78-H341 PolarHBondContact ND1-ND1 3.48Å; A79-H341 HydrophobicContact CB-CB 4.3Å; A79-H341 WeakPolarHBondContact CB-O 3.11Å; A79-H341 PolarHBondContact N-O 3.37Å; T336-H341 PolarHBondContact O-CD2 2.92Å; T336-H341 PolarHBondContact O-NE2 3.42Å; W337-H341 PolarHBondContact O-CD2 2.78Å; W337-H341 PolarHBondContact O-NE2 3.26Å; E338-H341 PolarHBondContact O-N 3.32Å; E338-H341 IonicContact OE1-CE1 2.64Å; E338-H341 PolarHBondContact OE1-CE1 2.87Å; E338-H341 IonicContact OE1-NE2 3.27Å; H341-V343 PolarHBondContact O-N 3.25Å; H341-H408 AromaticContact CD2-CG 4Å; H341-H408 AromaticContact CD2-ND1 3.89Å; H341-H408 AromaticContact CE1-CD2 3.76Å; H341-H408 AromaticContact CE1-CE1 3.1Å; H341-H408 PolarHBondContact CE1-CE1 3.25Å; H341-H408 AromaticContact CE1-CG 3.66Å; H341-H408 AromaticContact CE1-ND1 3.26Å; H341-H408 PolarHBondContact CE1-ND1 2.84Å; H341-H408 VanDerWaalsContact CE1-ND1 3.26Å; H341-H408 AromaticContact CE1-NE2 3.42Å; H341-H408 PolarHBondContact CE1-NE2 3.45Å; H341-H408 AromaticContact CG-ND1 3.71Å; H341-H408 AromaticContact ND1-CE1 3.34Å; H341-H408 PolarHBondContact ND1-CE1 3.17Å; H341-H408 VanDerWaalsContact ND1-CE1 3.34Å; H341-H408 AromaticContact ND1-ND1 3.31Å; H341-H408 PolarHBondContact ND1-ND1 3.41Å; H341-H408 AromaticContact NE2-CD2 3.79Å; H341-H408 AromaticContact NE2-CE1 3.81Å; H341-H408 AromaticContact NE2-CG 3.57Å; H341-H408 AromaticContact NE2-ND1 3.59Å; H341-H408 AromaticContact NE2-NE2 3.93Å; H341-K429 PolarHBondContact NE2-NZ 3.31Å |
| 342 | R | 98.7 | Very high | 98.3 | Very high | 10 Ų | 10 | 18 Ų | 18 | 4% | 0.038 | 10% | 0.102 | C | C | . | . | B | Isolated β-bridge | trans | -75.2 | 120.8 | 168.6 | -171.3 | 170.9 | -84.6 | 172.7 | -4.6 | 108.8 | W48 D76 F77 H78 F319 E338 | W48-R342 HydrophobicContact CG-CG 4.44Å; D76-R342 IonicContact OD1-CZ 3.39Å; D76-R342 IonicContact OD1-NE 2.91Å; D76-R342 IonicContact OD1-NH2 3.9Å; D76-R342 PolarHBondContact OD1-NH2 3.3Å; D76-R342 IonicContact OD2-NH2 3.19Å; D76-R342 PolarHBondContact OD2-NH2 2.99Å; F77-R342 WeakPolarHBondContact O-CA 3.46Å; H78-R342 PolarHBondContact CE1-NE 3.32Å; H78-R342 VanDerWaalsContact CE1-NE 3.32Å; H78-R342 PolarHBondContact NE2-NE 2.81Å; H78-R342 PolarHBondContact NE2-NH2 3.34Å; F319-R342 HydrophobicContact CD2-CG 4.43Å; F319-R342 HydrophobicContact CE2-CG 4.17Å; E338-R342 WeakPolarHBondContact O-CB 3.35Å; E338-R342 PolarHBondContact O-N 3.12Å; E338-R342 IonicContact OE2-CZ 3.84Å; E338-R342 IonicContact OE2-NE 3.63Å; E338-R342 PolarHBondContact OE2-NE 3.38Å; E338-R342 VanDerWaalsContact OE2-NE 3.12Å; E338-R342 IonicContact OE2-NH1 2.6Å; E338-R342 PolarHBondContact OE2-NH1 3.35Å; E338-R342 IonicContact OE2-NH2 3.13Å; E338-R342 PolarHBondContact OE2-NH2 2.98Å |
| 343 | V | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 10% | 0.103 | C | C | . | . | trans | -126.8 | 157 | -169.2 | -68.5 | 0 | 0 | 0 | 0 | 110.1 | F77 A79 T300 H341 | F77-V343 HydrophobicContact CD1-CG2 3.82Å; F77-V343 HydrophobicContact CE1-CG2 4.35Å; F77-V343 PolarHBondContact O-N 3.07Å; A79-V343 HydrophobicContact CB-CG1 4.18Å; A79-V343 HydrophobicContact CB-CG2 4.48Å; T300-V343 WeakPolarHBondContact OG1-CG2 3.43Å; H341-V343 PolarHBondContact O-N 3.25Å | ||
| 344 | P | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 11% | 0.114 | C | C | . | . | trans | -66.1 | 145.1 | 174.5 | 28.7 | -32.7 | 0 | 0 | 0 | 109.6 | M46 L51 F299 T300 G301 | M46-P344 HydrophobicContact CE-CG 3.93Å; M46-P344 HydrophobicContact CG-CG 3.98Å; M46-P344 HydrophobicContact SD-CG 3.71Å; L51-P344 HydrophobicContact CB-CB 3.83Å; L51-P344 HydrophobicContact CD2-CB 3.86Å; L51-P344 HydrophobicContact CG-CB 4.48Å; F299-P344 HydrophobicContact CE1-CG 4.33Å; T300-P344 WeakPolarHBondContact CA-O 3.46Å; T300-P344 PolarHBondContact OG1-O 3.09Å; G301-P344 PolarHBondContact N-O 3.44Å | ||
| 345 | A | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 134.6 | 174 | 0 | 0 | 0 | 0 | 0 | 113 | F74 F77 F299 | F74-A345 HydrophobicContact CB-CB 4.19Å; F74-A345 HydrophobicContact CD2-CB 4.11Å; F74-A345 PolarHBondContact N-O 2.87Å; F77-A345 HydrophobicContact CB-CB 3.64Å; F77-A345 HydrophobicContact CD1-CB 3.52Å; F77-A345 HydrophobicContact CD2-CB 3.76Å; F77-A345 HydrophobicContact CE1-CB 4.06Å; F77-A345 HydrophobicContact CE2-CB 4.32Å; F77-A345 HydrophobicContact CG-CB 3.34Å; F77-A345 HydrophobicContact CZ-CB 4.45Å; F299-A345 CarbonylContact O-C 3.56Å; F299-A345 VanDerWaalsContact O-CA 3.24Å; F299-A345 WeakPolarHBondContact O-CA 3.46Å |
| 346 | L | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 139.1 | -179.2 | -56.3 | 176.7 | 0 | 0 | 0 | 110.9 | L51 L64 M67 A68 M72 R73 W298 F299 | L51-L346 HydrophobicContact CD1-CD1 4.41Å; L51-L346 HydrophobicContact CD2-CD1 4.26Å; L51-L346 HydrophobicContact CD2-CD2 3.98Å; L51-L346 HydrophobicContact CD2-CG 4.16Å; L64-L346 HydrophobicContact CB-CD1 4.11Å; L64-L346 HydrophobicContact CD2-CD1 3.99Å; L64-L346 VanDerWaalsContact O-CD1 3.29Å; L64-L346 WeakPolarHBondContact O-CD1 3.33Å; M67-L346 HydrophobicContact CB-CD1 4.3Å; M67-L346 HydrophobicContact CE-CB 4.14Å; M67-L346 HydrophobicContact CG-CD1 4.37Å; M67-L346 HydrophobicContact SD-CB 4.33Å; M67-L346 HydrophobicContact SD-CD1 4.31Å; A68-L346 HydrophobicContact CB-CD1 4.19Å; A68-L346 HydrophobicContact CB-CD2 3.53Å; M72-L346 CarbonylContact O-C 3.36Å; M72-L346 WeakPolarHBondContact O-CA 3.46Å; R73-L346 HydrophobicContact CB-CD2 3.7Å; R73-L346 HydrophobicContact CG-CD2 3.72Å; W298-L346 WeakPolarHBondContact CA-O 3.47Å; F299-L346 HydrophobicContact CB-CB 4.29Å; F299-L346 HydrophobicContact CD1-CD1 4.48Å; F299-L346 PolarHBondContact N-O 3.13Å; F299-L346 PolarHBondContact O-N 2.64Å |
| 347 | A | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 132.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | G71 M72 F74 F296 L297 V353 L395 | G71-A347 WeakPolarHBondContact CA-O 3.19Å; M72-A347 HydrophobicContact CB-CB 4.39Å; M72-A347 PolarHBondContact N-O 2.98Å; M72-A347 PolarHBondContact O-N 3.1Å; F74-A347 HydrophobicContact CE2-CB 3.71Å; F74-A347 HydrophobicContact CZ-CB 4.2Å; F296-A347 HydrophobicContact CE2-CB 3.87Å; F296-A347 HydrophobicContact CZ-CB 4.31Å; L297-A347 WeakPolarHBondContact O-CA 3.4Å; A347-V353 HydrophobicContact CB-CG1 4.38Å; A347-L395 HydrophobicContact CB-CD2 3.48Å; A347-L395 VanDerWaalsContact CB-CD2 3.48Å |
| 348 | Y | 98.8 | Very high | 98.1 | Very high | 4 Ų | 4 | 32.2 Ų | 32.2 | 2% | 0.016 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 123.1 | 179.4 | 171.8 | -99.9 | 0 | 0 | 0 | 110.6 | M67 E70 K284 D288 K292 L297 P350 | M67-Y348 HydrophobicContact CG-CG 4.39Å; E70-Y348 HydrophobicContact CB-CD2 4.05Å; E70-Y348 HydrophobicContact CB-CE2 3.84Å; K284-Y348 HydrophobicContact CG-CE1 4.43Å; K284-Y348 PolarHBondContact NZ-OH 3.3Å; D288-Y348 VanDerWaalsContact CG-OH 3.24Å; D288-Y348 WeakPolarHBondContact OD1-CE1 3.44Å; D288-Y348 PolarHBondContact OD1-OH 3.2Å; D288-Y348 PolarHBondContact OD2-OH 3.2Å; K292-Y348 WeakPolarHBondContact CE-OH 3.34Å; L297-Y348 HydrophobicContact CB-CD1 4.19Å; L297-Y348 HydrophobicContact CD1-CD1 4.42Å; L297-Y348 HydrophobicContact CD2-CD1 4.09Å; L297-Y348 HydrophobicContact CG-CD1 4.46Å; L297-Y348 PolarHBondContact N-O 2.84Å; L297-Y348 PolarHBondContact O-N 2.68Å; Y348-P350 HydrophobicContact CE1-CG 3.82Å; Y348-P350 HydrophobicContact CE2-CG 3.73Å; Y348-P350 WeakPolarHBondContact OH-CG 3.15Å |
| 349 | W | 98.5 | Very high | 98 | Very high | 18 Ų | 18 | 32.3 Ų | 32.3 | 7% | 0.068 | 19% | 0.191 | C | C | . | . | trans | -157.4 | 99.1 | 170.4 | -168.8 | -9 | 0 | 0 | 0 | 109.3 | P36 D293 F296 G351 R352 V353 L375 F396 | P36-W349 HydrophobicContact CB-CH2 3.51Å; P36-W349 HydrophobicContact CB-CZ2 3.66Å; P36-W349 HydrophobicContact CB-CZ3 4.45Å; P36-W349 HydrophobicContact CG-CH2 3.94Å; D293-W349 PolarHBondContact O-NE1 3.13Å; F296-W349 HydrophobicContact CB-CD2 4Å; F296-W349 HydrophobicContact CB-CE3 3.66Å; F296-W349 HydrophobicContact CB-CG 4.45Å; F296-W349 HydrophobicContact CB-CZ3 4.12Å; F296-W349 HydrophobicContact CD2-CB 4.1Å; F296-W349 HydrophobicContact CD2-CE3 4.14Å; F296-W349 HydrophobicContact CG-CE3 4.03Å; W349-G351 PolarHBondContact O-N 2.91Å; W349-R352 HydrophobicContact CB-CB 4.08Å; W349-R352 HydrophobicContact CD2-CB 3.65Å; W349-R352 HydrophobicContact CD2-CG 3.73Å; W349-R352 HydrophobicContact CE3-CB 4.01Å; W349-R352 HydrophobicContact CE3-CG 4.32Å; W349-R352 HydrophobicContact CG-CB 3.66Å; W349-R352 HydrophobicContact CG-CG 3.94Å; W349-R352 HydrophobicContact CZ2-CG 4.05Å; W349-R352 PolarHBondContact O-N 3.13Å; W349-V353 HydrophobicContact CB-CB 4.18Å; W349-V353 HydrophobicContact CB-CG2 3.73Å; W349-V353 PolarHBondContact O-N 3.37Å; W349-L375 HydrophobicContact CZ3-CD1 4.31Å; W349-L375 HydrophobicContact CZ3-CD2 4.38Å; W349-F396 HydrophobicContact CE3-CE1 4.19Å; W349-F396 HydrophobicContact CZ3-CE1 4.12Å; W349-F396 HydrophobicContact CZ3-CZ 4.25Å | ||
| 350 | P | 97.2 | Very high | 97.9 | Very high | 24 Ų | 24 | 36.9 Ų | 36.9 | 16% | 0.156 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52 | 130.1 | -178.6 | -31.6 | 39.2 | 0 | 0 | 0 | 112.7 | K292 Y348 R352 | K292-P350 HydrophobicContact CD-CG 4.34Å; K292-P350 HydrophobicContact CG-CB 4.2Å; K292-P350 HydrophobicContact CG-CG 3.77Å; Y348-P350 HydrophobicContact CE1-CG 3.82Å; Y348-P350 HydrophobicContact CE2-CG 3.73Å; Y348-P350 WeakPolarHBondContact OH-CG 3.15Å; P350-R352 PolarHBondContact O-N 3Å |
| 351 | G | 95.1 | Very high | 97.9 | Very high | 83 Ų | 83 | 37 Ų | 37 | 86% | 0.856 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 75.3 | 0.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | W349 | W349-G351 PolarHBondContact O-N 2.91Š|
| 352 | R | 96.9 | Very high | 97.8 | Very high | 150 Ų | 150 | 37.5 Ų | 37.5 | 57% | 0.566 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -125.5 | -50.2 | 179.2 | -62.3 | -67.6 | -171.1 | 162.6 | 0.4 | 112.8 | W349 P350 F396 | W349-R352 HydrophobicContact CB-CB 4.08Å; W349-R352 HydrophobicContact CD2-CB 3.65Å; W349-R352 HydrophobicContact CD2-CG 3.73Å; W349-R352 HydrophobicContact CE3-CB 4.01Å; W349-R352 HydrophobicContact CE3-CG 4.32Å; W349-R352 HydrophobicContact CG-CB 3.66Å; W349-R352 HydrophobicContact CG-CG 3.94Å; W349-R352 HydrophobicContact CZ2-CG 4.05Å; W349-R352 PolarHBondContact O-N 3.13Å; P350-R352 PolarHBondContact O-N 3Å; R352-F396 HydrophobicContact CB-CD1 4.32Å; R352-F396 HydrophobicContact CB-CE1 4.08Å; R352-F396 WeakPolarHBondContact O-CD1 3.18Å |
| 353 | V | 98.2 | Very high | 97.8 | Very high | 5 Ų | 5 | 37 Ų | 37 | 3% | 0.03 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -86 | 129.1 | 173 | 172.3 | 0 | 0 | 0 | 0 | 108.3 | M72 F296 A347 W349 | M72-V353 HydrophobicContact CB-CG1 3.62Å; F296-V353 HydrophobicContact CE2-CG2 4.38Å; A347-V353 HydrophobicContact CB-CG1 4.38Å; W349-V353 HydrophobicContact CB-CB 4.18Å; W349-V353 HydrophobicContact CB-CG2 3.73Å; W349-V353 PolarHBondContact O-N 3.37Å |
| 354 | P | 97.8 | Very high | 97.8 | Very high | 42 Ų | 42 | 37.1 Ų | 37.1 | 27% | 0.273 | 22% | 0.221 | S | C | . | . | P | Polyproline II helix | trans | -55.2 | 138.6 | 174.4 | -26.9 | 34.4 | 0 | 0 | 0 | 112.6 | G71 M72 V357 L395 | G71-P354 CarbonylContact C-O 3.51Å; G71-P354 VanDerWaalsContact O-O 3.08Å; M72-P354 HydrophobicContact CE-CB 4.48Å; M72-P354 HydrophobicContact CE-CG 4.13Å; P354-V357 HydrophobicContact CB-CB 4.25Å; P354-V357 HydrophobicContact CB-CG2 3.54Å; P354-L395 VanDerWaalsContact CD-O 3.23Å; P354-L395 WeakPolarHBondContact CD-O 3.3Å |
| 355 | V | 98 | Very high | 97.8 | Very high | 93 Ų | 93 | 37.1 Ų | 37.1 | 56% | 0.564 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | 140.6 | -179.1 | 176.6 | 0 | 0 | 0 | 0 | 110.3 | S69 G71 V357 | S69-V355 VanDerWaalsContact O-CG1 3.23Å; S69-V355 WeakPolarHBondContact O-CG1 3.32Å; G71-V355 CarbonylContact O-C 3.52Å; V355-V357 VanDerWaalsContact C-N 3.32Å; V355-V357 PolarHBondContact O-N 3.39Å |
| 356 | N | 97.3 | Very high | 97.8 | Very high | 123 Ų | 123 | 37.5 Ų | 37.5 | 66% | 0.658 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.1 | 42.3 | 176.3 | -166.6 | 37.3 | 0 | 0 | 0 | 113.3 | S69 G71 | S69-N356 WeakPolarHBondContact O-CA 3.27Å; S69-N356 WeakPolarHBondContact O-CB 3.38Å; S69-N356 PolarHBondContact O-N 3.17Å; G71-N356 PolarHBondContact O-N 3.38Å |
| 357 | V | 97.6 | Very high | 97.8 | Very high | 50 Ų | 50 | 37.5 Ų | 37.5 | 30% | 0.303 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 132.2 | 178.3 | 173.1 | 0 | 0 | 0 | 0 | 110.6 | G71 M72 R73 P354 V355 | G71-V357 PolarHBondContact O-N 2.75Å; G71-V357 VanDerWaalsContact O-N 3.17Å; M72-V357 CarbonylContact C-O 3.59Å; M72-V357 VanDerWaalsContact CA-O 3.29Å; M72-V357 WeakPolarHBondContact CA-O 3.47Å; M72-V357 HydrophobicContact CE-CB 4.34Å; M72-V357 HydrophobicContact CE-CG1 3.97Å; M72-V357 HydrophobicContact CG-CB 4.39Å; M72-V357 HydrophobicContact CG-CG1 4.27Å; R73-V357 PolarHBondContact N-O 3.38Å; P354-V357 HydrophobicContact CB-CB 4.25Å; P354-V357 HydrophobicContact CB-CG2 3.54Å; V355-V357 VanDerWaalsContact C-N 3.32Å; V355-V357 PolarHBondContact O-N 3.39Å |
| 358 | T | 97.7 | Very high | 97.8 | Very high | 70 Ų | 70 | 37.5 Ų | 37.5 | 43% | 0.429 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 120.6 | 165.9 | -63.4 | 0 | 0 | 0 | 0 | 108.7 | R73 V75 | R73-T358 PolarHBondContact NH2-OG1 2.91Å; R73-T358 CarbonylContact O-C 3.58Å; R73-T358 WeakPolarHBondContact O-CA 3.24Å; V75-T358 HydrophobicContact CG1-CG2 3.68Å; V75-T358 HydrophobicContact CG2-CG2 4.24Å |
| 359 | S | 97.6 | Very high | 97.8 | Very high | 3 Ų | 3 | 37.3 Ų | 37.3 | 2% | 0.021 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 133.7 | 175.8 | 177.9 | 0 | 0 | 0 | 0 | 111 | R73 V75 A361 | R73-S359 PolarHBondContact O-N 3.35Å; V75-S359 WeakPolarHBondContact CG2-O 3.5Å; V75-S359 PolarHBondContact N-O 2.61Å; V75-S359 VanDerWaalsContact N-O 3.12Å; S359-A361 WeakPolarHBondContact OG-CB 3.32Å; S359-A361 PolarHBondContact OG-N 3.02Å |
| 360 | T | 96.1 | Very high | 97.8 | Very high | 98 Ų | 98 | 36.8 Ų | 36.8 | 60% | 0.601 | 22% | 0.221 | S | C | * | . | trans | -100.3 | 9.6 | 174.5 | 51.9 | 0 | 0 | 0 | 0 | 112.1 | V75 L362 | V75-T360 HydrophobicContact CG2-CG2 3.88Å; T360-L362 PolarHBondContact O-N 2.8Å | ||
| 361 | A | 97.3 | Very high | 97.9 | Very high | 2 Ų | 2 | 35.7 Ų | 35.7 | 2% | 0.017 | 21% | 0.214 | C | C | . | . | trans | -59.1 | 131.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | D76 S359 L363 V394 Q400 | D76-A361 VanDerWaalsContact O-O 3.09Å; S359-A361 WeakPolarHBondContact OG-CB 3.32Å; S359-A361 PolarHBondContact OG-N 3.02Å; A361-L363 HydrophobicContact CB-CD1 4.33Å; A361-L363 HydrophobicContact CB-CD2 4Å; A361-L363 HydrophobicContact CB-CG 3.97Å; A361-L363 PolarHBondContact O-N 2.62Å; A361-V394 HydrophobicContact CB-CG1 3.78Å; A361-Q400 VanDerWaalsContact CB-O 3.24Å; A361-Q400 WeakPolarHBondContact CB-O 3.43Å | ||
| 362 | L | 97.9 | Very high | 98.1 | Very high | 12 Ų | 12 | 31.7 Ų | 31.7 | 6% | 0.063 | 17% | 0.173 | C | C | . | . | trans | -72.5 | 106.6 | 172.7 | -178.5 | 64.7 | 0 | 0 | 0 | 109 | D76 T360 G402 H403 L406 R424 | D76-L362 WeakPolarHBondContact OD1-CD1 3.4Å; T360-L362 PolarHBondContact O-N 2.8Å; L362-G402 CarbonylContact O-C 3.53Å; L362-G402 WeakPolarHBondContact O-CA 3.47Å; L362-H403 HydrophobicContact CB-CB 4.49Å; L362-H403 HydrophobicContact CD2-CB 4.09Å; L362-H403 HydrophobicContact CG-CB 4.14Å; L362-H403 PolarHBondContact O-CD2 3.27Å; L362-H403 PolarHBondContact O-N 3.17Å; L362-L406 HydrophobicContact CD1-CD1 3.58Å; L362-L406 HydrophobicContact CD1-CG 4.33Å; L362-L406 HydrophobicContact CD2-CD1 4.2Å; L362-L406 HydrophobicContact CD2-CG 4.04Å; L362-L406 HydrophobicContact CG-CD1 3.73Å; L362-L406 HydrophobicContact CG-CG 4.04Å; L362-R424 HydrophobicContact CD1-CG 4.32Å; L362-R424 HydrophobicContact CD2-CG 3.93Å | ||
| 363 | L | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 164.9 | -176.6 | -55 | -178.8 | 0 | 0 | 0 | 111.6 | F74 D76 F77 H78 A361 D367 V391 V394 | F74-L363 HydrophobicContact CD1-CD1 3.53Å; F74-L363 HydrophobicContact CE1-CD1 3.42Å; F74-L363 VanDerWaalsContact CE1-CD1 3.42Å; F74-L363 HydrophobicContact CG-CD1 4.3Å; F74-L363 HydrophobicContact CZ-CD1 4.11Å; D76-L363 PolarHBondContact O-N 2.91Å; F77-L363 WeakPolarHBondContact CA-O 3.09Å; F77-L363 HydrophobicContact CD2-CB 3.61Å; F77-L363 HydrophobicContact CD2-CD1 4.41Å; F77-L363 HydrophobicContact CE2-CB 3.92Å; H78-L363 PolarHBondContact N-O 2.79Å; A361-L363 HydrophobicContact CB-CD1 4.33Å; A361-L363 HydrophobicContact CB-CD2 4Å; A361-L363 HydrophobicContact CB-CG 3.97Å; A361-L363 PolarHBondContact O-N 2.62Å; L363-D367 WeakPolarHBondContact CA-OD2 3.36Å; L363-V391 HydrophobicContact CD1-CG2 4.43Å; L363-V391 HydrophobicContact CD2-CB 4.15Å; L363-V391 HydrophobicContact CD2-CG1 3.61Å; L363-V394 HydrophobicContact CD1-CG1 4.35Å |
| 364 | S | 98.7 | Very high | 98.2 | Very high | 3 Ų | 3 | 26.4 Ų | 26.4 | 2% | 0.021 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 157.3 | 177.8 | -177.8 | 0 | 0 | 0 | 0 | 112.8 | F77 H78 L366 D367 | F77-S364 VanDerWaalsContact CZ-C 3.44Å; H78-S364 CarbonylContact O-C 3.49Å; H78-S364 WeakPolarHBondContact O-CA 3.38Å; H78-S364 WeakPolarHBondContact O-CB 3.49Å; H78-S364 PolarHBondContact O-OG 3.48Å; S364-L366 PolarHBondContact O-N 3.42Å; S364-L366 VanDerWaalsContact O-N 3.09Å; S364-L366 PolarHBondContact OG-N 2.97Å; S364-D367 PolarHBondContact N-OD2 3.39Å; S364-D367 VanDerWaalsContact O-CB 3.25Å; S364-D367 WeakPolarHBondContact O-CB 3.37Å; S364-D367 PolarHBondContact O-N 2.89Å |
| 365 | V | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 15% | 0.154 | C | C | . | . | G | 310 helix | trans | -48.8 | -30.2 | 164 | 167.5 | 0 | 0 | 0 | 0 | 112.2 | F77 H78 L91 T300 D367 I368 | F77-V365 HydrophobicContact CE1-CB 4.45Å; F77-V365 HydrophobicContact CE1-CG2 3.61Å; F77-V365 HydrophobicContact CZ-CG2 4.2Å; H78-V365 PolarHBondContact O-N 2.93Å; L91-V365 HydrophobicContact CB-CG1 3.41Å; L91-V365 VanDerWaalsContact CB-CG1 3.41Å; L91-V365 HydrophobicContact CD1-CG1 3.86Å; L91-V365 HydrophobicContact CG-CG1 3.8Å; T300-V365 HydrophobicContact CG2-CG2 4.17Å; V365-D367 PolarHBondContact O-N 3.4Å; V365-I368 HydrophobicContact CG1-CD1 4.45Å; V365-I368 WeakPolarHBondContact O-CB 3.02Å; V365-I368 PolarHBondContact O-N 3.03Å |
| 366 | L | 98.7 | Very high | 98.2 | Very high | 8 Ų | 8 | 21 Ų | 21 | 4% | 0.042 | 13% | 0.127 | C | C | . | . | G | 310 helix | trans | -55.9 | -32 | 174.1 | -69.3 | 163.8 | 0 | 0 | 0 | 112.9 | A80 L96 S364 I368 P370 D387 G388 | A80-L366 HydrophobicContact CB-CD1 4.31Å; A80-L366 HydrophobicContact CB-CD2 4.05Å; A80-L366 HydrophobicContact CB-CG 3.84Å; L96-L366 HydrophobicContact CD2-CD1 3.89Å; L96-L366 HydrophobicContact CD2-CD2 4.48Å; L96-L366 HydrophobicContact CG-CD1 4.23Å; S364-L366 PolarHBondContact O-N 3.42Å; S364-L366 VanDerWaalsContact O-N 3.09Å; S364-L366 PolarHBondContact OG-N 2.97Å; L366-I368 VanDerWaalsContact C-N 3.27Å; L366-I368 PolarHBondContact O-N 3.33Å; L366-P370 WeakPolarHBondContact O-CD 3.4Å; L366-D387 HydrophobicContact CD1-CB 3.96Å; L366-D387 HydrophobicContact CD2-CB 4.27Å; L366-G388 WeakPolarHBondContact O-CA 3.35Å |
| 367 | D | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 12% | 0.122 | C | C | . | . | G | 310 helix | trans | -73.6 | -20 | -175.2 | -58.3 | -33.3 | 0 | 0 | 0 | 112.8 | L363 S364 V365 F369 P370 T371 G388 V389 V391 H403 | L363-D367 WeakPolarHBondContact CA-OD2 3.36Å; S364-D367 PolarHBondContact N-OD2 3.39Å; S364-D367 VanDerWaalsContact O-CB 3.25Å; S364-D367 WeakPolarHBondContact O-CB 3.37Å; S364-D367 PolarHBondContact O-N 2.89Å; V365-D367 PolarHBondContact O-N 3.4Å; D367-F369 VanDerWaalsContact C-N 3.3Å; D367-F369 PolarHBondContact O-N 3.33Å; D367-P370 WeakPolarHBondContact O-CD 2.95Å; D367-T371 WeakPolarHBondContact O-CB 3.28Å; D367-T371 PolarHBondContact O-N 3.12Å; D367-T371 VanDerWaalsContact O-N 3.08Å; D367-T371 PolarHBondContact O-OG1 3.46Å; D367-G388 WeakPolarHBondContact OD1-CA 3.28Å; D367-V389 WeakPolarHBondContact CB-O 3.43Å; D367-V389 PolarHBondContact OD1-N 2.84Å; D367-V391 HydrophobicContact CB-CG1 3.9Å; D367-V391 HydrophobicContact CB-CG2 4.15Å; D367-H403 VanDerWaalsContact CG-NE2 3.27Å; D367-H403 IonicContact OD1-CD2 2.92Å; D367-H403 IonicContact OD1-CE1 2.68Å; D367-H403 PolarHBondContact OD1-CE1 3.02Å; D367-H403 IonicContact OD1-NE2 2.89Å; D367-H403 PolarHBondContact OD1-NE2 2.9Å; D367-H403 IonicContact OD2-CD2 2.7Å; D367-H403 PolarHBondContact OD2-CD2 3.02Å; D367-H403 IonicContact OD2-NE2 2.93Å; D367-H403 PolarHBondContact OD2-NE2 3.32Å; D367-H403 VanDerWaalsContact OD2-NE2 3.07Å |
| 368 | I | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -58.2 | -45.4 | 179.8 | -65.7 | 177.5 | 0 | 0 | 0 | 110 | I40 L91 L121 W298 T300 V365 L366 V372 | I40-I368 HydrophobicContact CD1-CG2 3.71Å; I40-I368 HydrophobicContact CG1-CG2 4.43Å; I40-I368 HydrophobicContact CG2-CG2 4.44Å; L91-I368 HydrophobicContact CD1-CD1 3.95Å; L91-I368 HydrophobicContact CD2-CG2 4.41Å; L91-I368 HydrophobicContact CG-CD1 4.16Å; L91-I368 HydrophobicContact CG-CG2 4.45Å; L121-I368 HydrophobicContact CD2-CG2 4.45Å; W298-I368 HydrophobicContact CD2-CD1 4.45Å; W298-I368 HydrophobicContact CD2-CG1 4.04Å; W298-I368 HydrophobicContact CE3-CG1 3.9Å; W298-I368 HydrophobicContact CE3-CG2 4.49Å; W298-I368 HydrophobicContact CH2-CG1 4.15Å; W298-I368 HydrophobicContact CZ2-CG1 4.25Å; W298-I368 HydrophobicContact CZ3-CB 4.44Å; W298-I368 HydrophobicContact CZ3-CG1 3.98Å; T300-I368 HydrophobicContact CG2-CD1 4.12Å; V365-I368 HydrophobicContact CG1-CD1 4.45Å; V365-I368 WeakPolarHBondContact O-CB 3.02Å; V365-I368 PolarHBondContact O-N 3.03Å; L366-I368 VanDerWaalsContact C-N 3.27Å; L366-I368 PolarHBondContact O-N 3.33Å; I368-V372 HydrophobicContact CG2-CG2 4.16Å; I368-V372 VanDerWaalsContact O-CB 3.27Å; I368-V372 WeakPolarHBondContact O-CB 3.15Å; I368-V372 WeakPolarHBondContact O-CG2 3.32Å; I368-V372 PolarHBondContact O-N 3.41Å |
| 369 | F | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -59.1 | -63.8 | -178.5 | -176.3 | -76.8 | 0 | 0 | 0 | 112.7 | L92 T93 L121 V124 D367 T371 V372 V373 L380 P381 F386 | L92-F369 WeakPolarHBondContact O-CD2 3.19Å; L92-F369 WeakPolarHBondContact O-CE2 3.34Å; T93-F369 VanDerWaalsContact C-CD2 3.48Å; L121-F369 HydrophobicContact CB-CD2 3.77Å; L121-F369 HydrophobicContact CB-CE2 4.06Å; L121-F369 HydrophobicContact CD1-CD2 4.22Å; V124-F369 HydrophobicContact CG2-CZ 3.94Å; D367-F369 VanDerWaalsContact C-N 3.3Å; D367-F369 PolarHBondContact O-N 3.33Å; F369-T371 VanDerWaalsContact C-N 3.31Å; F369-T371 PolarHBondContact O-N 3.32Å; F369-V372 PolarHBondContact O-N 2.03Å; F369-V373 HydrophobicContact CD1-CG2 4.15Å; F369-V373 HydrophobicContact CE1-CG2 3.97Å; F369-V373 HydrophobicContact CZ-CG2 4.43Å; F369-V373 WeakPolarHBondContact O-CB 3.49Å; F369-V373 VanDerWaalsContact O-CG2 3.26Å; F369-V373 WeakPolarHBondContact O-CG2 3.42Å; F369-V373 PolarHBondContact O-N 2.92Å; F369-L380 HydrophobicContact CD1-CD2 3.92Å; F369-L380 HydrophobicContact CE1-CD2 3.65Å; F369-P381 HydrophobicContact CZ-CG 4.13Å; F369-F386 HydrophobicContact CD1-CD1 4.11Å; F369-F386 AromaticContact CD1-CE1 3.94Å; F369-F386 HydrophobicContact CD1-CE1 3.94Å; F369-F386 HydrophobicContact CE1-CD1 4.07Å; F369-F386 AromaticContact CE1-CE1 3.43Å; F369-F386 HydrophobicContact CE1-CE1 3.43Å; F369-F386 VanDerWaalsContact CE1-CE1 3.43Å; F369-F386 HydrophobicContact CE1-CZ 4.12Å; F369-F386 HydrophobicContact CZ-CE1 4.01Å |
| 370 | P | 98.8 | Very high | 98.2 | Very high | 7 Ų | 7 | 23.8 Ų | 23.8 | 5% | 0.045 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -64.8 | -34 | -176.8 | 25.5 | -35.3 | 0 | 0 | 0 | 112.9 | L366 D367 V373 A374 L380 V389 | L366-P370 WeakPolarHBondContact O-CD 3.4Å; D367-P370 WeakPolarHBondContact O-CD 2.95Å; P370-V373 PolarHBondContact O-N 2.97Å; P370-A374 WeakPolarHBondContact O-CB 3.24Å; P370-A374 PolarHBondContact O-N 2.88Å; P370-L380 HydrophobicContact CB-CD2 4.11Å; P370-V389 VanDerWaalsContact CG-C 3.48Å; P370-V389 WeakPolarHBondContact CG-O 3.41Å |
| 371 | T | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -64.9 | -47.4 | 177.4 | -57.2 | 0 | 0 | 0 | 0 | 111.4 | W298 D367 F369 A374 L375 V389 V391 L395 | W298-T371 HydrophobicContact CZ3-CG2 4.05Å; D367-T371 WeakPolarHBondContact O-CB 3.28Å; D367-T371 PolarHBondContact O-N 3.12Å; D367-T371 VanDerWaalsContact O-N 3.08Å; D367-T371 PolarHBondContact O-OG1 3.46Å; F369-T371 VanDerWaalsContact C-N 3.31Å; F369-T371 PolarHBondContact O-N 3.32Å; T371-A374 PolarHBondContact O-N 3.43Å; T371-L375 HydrophobicContact CG2-CD1 4.04Å; T371-L375 HydrophobicContact CG2-CG 4.47Å; T371-L375 WeakPolarHBondContact O-CB 3.09Å; T371-L375 VanDerWaalsContact O-CG 3.26Å; T371-L375 WeakPolarHBondContact O-CG 3.27Å; T371-L375 PolarHBondContact O-N 3.02Å; T371-V389 PolarHBondContact OG1-O 3.17Å; T371-V391 HydrophobicContact CG2-CG2 4.17Å; T371-V391 WeakPolarHBondContact OG1-CG2 3.41Å; T371-V391 PolarHBondContact OG1-N 2.69Å; T371-L395 HydrophobicContact CG2-CD1 3.56Å |
| 372 | V | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -66.2 | -40.2 | 178.6 | 172.7 | 0 | 0 | 0 | 0 | 110.9 | F38 I40 L121 L125 I368 F369 A374 L375 A376 | F38-V372 HydrophobicContact CD1-CG1 4.05Å; F38-V372 HydrophobicContact CD1-CG2 4.33Å; F38-V372 HydrophobicContact CD2-CG1 3.66Å; F38-V372 HydrophobicContact CE1-CG1 4.1Å; F38-V372 HydrophobicContact CE2-CG1 3.71Å; F38-V372 HydrophobicContact CG-CG1 3.81Å; F38-V372 HydrophobicContact CZ-CG1 3.92Å; I40-V372 HydrophobicContact CD1-CG2 4.26Å; L121-V372 HydrophobicContact CD1-CB 4.07Å; L121-V372 HydrophobicContact CD1-CG1 3.89Å; L121-V372 HydrophobicContact CD2-CB 4.3Å; L121-V372 HydrophobicContact CD2-CG1 4.21Å; L121-V372 HydrophobicContact CG-CG1 4.45Å; L125-V372 HydrophobicContact CD1-CG1 3.76Å; L125-V372 HydrophobicContact CD2-CG1 4.39Å; I368-V372 HydrophobicContact CG2-CG2 4.16Å; I368-V372 VanDerWaalsContact O-CB 3.27Å; I368-V372 WeakPolarHBondContact O-CB 3.15Å; I368-V372 WeakPolarHBondContact O-CG2 3.32Å; I368-V372 PolarHBondContact O-N 3.41Å; F369-V372 PolarHBondContact O-N 2.03Å; V372-A374 PolarHBondContact O-N 3.01Å; V372-L375 PolarHBondContact O-N 3.17Å; V372-A376 VanDerWaalsContact O-CB 3.23Å; V372-A376 WeakPolarHBondContact O-CB 3.46Å; V372-A376 PolarHBondContact O-N 3.15Å |
| 373 | V | 98.8 | Very high | 97.7 | Very high | 2 Ų | 2 | 30.4 Ų | 30.4 | 1% | 0.012 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.6 | -44.7 | 174.6 | 171.1 | 0 | 0 | 0 | 0 | 111.4 | L121 V124 F369 P370 A376 Q377 A378 L380 | L121-V373 HydrophobicContact CD1-CG2 3.85Å; V124-V373 HydrophobicContact CB-CG2 4.38Å; V124-V373 HydrophobicContact CG1-CG1 4.22Å; V124-V373 HydrophobicContact CG1-CG2 3.77Å; F369-V373 HydrophobicContact CD1-CG2 4.15Å; F369-V373 HydrophobicContact CE1-CG2 3.97Å; F369-V373 HydrophobicContact CZ-CG2 4.43Å; F369-V373 WeakPolarHBondContact O-CB 3.49Å; F369-V373 VanDerWaalsContact O-CG2 3.26Å; F369-V373 WeakPolarHBondContact O-CG2 3.42Å; F369-V373 PolarHBondContact O-N 2.92Å; P370-V373 PolarHBondContact O-N 2.97Å; V373-A376 PolarHBondContact O-N 3.06Å; V373-Q377 PolarHBondContact O-N 3.35Å; V373-A378 HydrophobicContact CG1-CB 3.96Å; V373-A378 PolarHBondContact O-N 2.88Å; V373-L380 HydrophobicContact CB-CD2 4.18Å; V373-L380 HydrophobicContact CG1-CD2 3.98Å; V373-L380 HydrophobicContact CG1-CG 4.32Å; V373-L380 HydrophobicContact CG2-CD2 4.39Å |
| 374 | A | 98.4 | Very high | 97.5 | Very high | 41 Ų | 41 | 32.2 Ų | 32.2 | 34% | 0.339 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -63.6 | -48.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | P370 T371 V372 A376 Q377 D390 | P370-A374 WeakPolarHBondContact O-CB 3.24Å; P370-A374 PolarHBondContact O-N 2.88Å; T371-A374 PolarHBondContact O-N 3.43Å; V372-A374 PolarHBondContact O-N 3.01Å; A374-A376 VanDerWaalsContact C-N 3.25Å; A374-A376 PolarHBondContact O-N 3.29Å; A374-Q377 WeakPolarHBondContact O-CA 3.23Å; A374-Q377 PolarHBondContact O-N 3.03Å; A374-D390 HydrophobicContact CB-CB 4.38Å; A374-D390 WeakPolarHBondContact CB-OD2 3.35Å |
| 375 | L | 98.3 | Very high | 97.4 | Very high | 22 Ų | 22 | 36.9 Ų | 36.9 | 12% | 0.115 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63 | -31 | 177.9 | -68.7 | 175.8 | 0 | 0 | 0 | 112.8 | P36 F38 F296 W349 T371 V372 Q377 F396 | P36-L375 WeakPolarHBondContact CD-O 3.26Å; P36-L375 HydrophobicContact CG-CB 4.47Å; F38-L375 HydrophobicContact CE1-CB 3.82Å; F38-L375 HydrophobicContact CE1-CD1 4.12Å; F38-L375 HydrophobicContact CZ-CB 3.7Å; F296-L375 HydrophobicContact CD1-CD1 4.18Å; F296-L375 HydrophobicContact CE1-CD1 4.39Å; W349-L375 HydrophobicContact CZ3-CD1 4.31Å; W349-L375 HydrophobicContact CZ3-CD2 4.38Å; T371-L375 HydrophobicContact CG2-CD1 4.04Å; T371-L375 HydrophobicContact CG2-CG 4.47Å; T371-L375 WeakPolarHBondContact O-CB 3.09Å; T371-L375 VanDerWaalsContact O-CG 3.26Å; T371-L375 WeakPolarHBondContact O-CG 3.27Å; T371-L375 PolarHBondContact O-N 3.02Å; V372-L375 PolarHBondContact O-N 3.17Å; L375-Q377 PolarHBondContact O-N 3.48Å; L375-F396 HydrophobicContact CD2-CE2 4.06Å; L375-F396 HydrophobicContact CD2-CZ 3.6Å |
| 376 | A | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75 | -6.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | K35 F38 L125 Y130 V372 V373 A374 A378 | K35-A376 WeakPolarHBondContact CE-O 3.02Å; K35-A376 PolarHBondContact NZ-O 2.99Å; F38-A376 HydrophobicContact CE2-CB 3.88Å; F38-A376 HydrophobicContact CZ-CB 4.2Å; L125-A376 HydrophobicContact CD2-CB 3.31Å; Y130-A376 HydrophobicContact CE2-CB 3.87Å; V372-A376 VanDerWaalsContact O-CB 3.23Å; V372-A376 WeakPolarHBondContact O-CB 3.46Å; V372-A376 PolarHBondContact O-N 3.15Å; V373-A376 PolarHBondContact O-N 3.06Å; A374-A376 VanDerWaalsContact C-N 3.25Å; A374-A376 PolarHBondContact O-N 3.29Å; A376-A378 HydrophobicContact CB-CB 4.23Å; A376-A378 PolarHBondContact O-N 3.06Å |
| 377 | Q | 97.4 | Very high | 97.3 | Very high | 120 Ų | 120 | 40 Ų | 40 | 56% | 0.561 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.1 | 38.4 | -169.9 | -55.3 | 169.7 | 23.6 | 0 | 0 | 111.2 | V373 A374 L375 | V373-Q377 PolarHBondContact O-N 3.35Å; A374-Q377 WeakPolarHBondContact O-CA 3.23Å; A374-Q377 PolarHBondContact O-N 3.03Å; L375-Q377 PolarHBondContact O-N 3.48Å |
| 378 | A | 97.4 | Very high | 97.2 | Very high | 25 Ų | 25 | 40.3 Ų | 40.3 | 21% | 0.207 | 23% | 0.228 | C | C | . | . | trans | -97.9 | 177.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110 | V124 A128 V373 A376 | V124-A378 HydrophobicContact CG1-CB 4Å; A128-A378 HydrophobicContact CB-CB 3.93Å; V373-A378 HydrophobicContact CG1-CB 3.96Å; V373-A378 PolarHBondContact O-N 2.88Å; A376-A378 HydrophobicContact CB-CB 4.23Å; A376-A378 PolarHBondContact O-N 3.06Å | ||
| 379 | S | 97 | Very high | 97.2 | Very high | 95 Ų | 95 | 43.4 Ų | 43.4 | 66% | 0.664 | 25% | 0.247 | S | C | * | . | trans | -114 | 140.7 | 178.6 | -61.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 380 | L | 97.5 | Very high | 97.1 | Very high | 64 Ų | 64 | 47.1 Ų | 47.1 | 34% | 0.335 | 27% | 0.267 | S | S | . | . | P | Polyproline II helix | trans | -62.1 | 142.8 | 171.9 | -68.3 | 173.9 | 0 | 0 | 0 | 110.2 | F369 P370 V373 Q382 F386 | F369-L380 HydrophobicContact CD1-CD2 3.92Å; F369-L380 HydrophobicContact CE1-CD2 3.65Å; P370-L380 HydrophobicContact CB-CD2 4.11Å; V373-L380 HydrophobicContact CB-CD2 4.18Å; V373-L380 HydrophobicContact CG1-CD2 3.98Å; V373-L380 HydrophobicContact CG1-CG 4.32Å; V373-L380 HydrophobicContact CG2-CD2 4.39Å; L380-Q382 PolarHBondContact O-N 3.11Å; L380-Q382 PolarHBondContact O-NE2 2.81Å; L380-F386 HydrophobicContact CB-CD2 4.46Å; L380-F386 HydrophobicContact CB-CE2 3.89Å; L380-F386 HydrophobicContact CB-CZ 4.26Å; L380-F386 HydrophobicContact CD1-CD2 4.12Å; L380-F386 HydrophobicContact CD1-CE2 4.38Å; L380-F386 HydrophobicContact CD2-CE1 4.42Å; L380-F386 HydrophobicContact CD2-CE2 4.41Å; L380-F386 HydrophobicContact CD2-CZ 4.36Å; L380-F386 HydrophobicContact CG-CE2 4.47Å |
| 381 | P | 95.9 | Very high | 97.1 | Very high | 23 Ų | 23 | 47 Ų | 47 | 15% | 0.149 | 27% | 0.266 | C | S | . | . | P | Polyproline II helix | trans | -50.4 | 133.1 | 170.5 | -26.1 | 30.9 | 0 | 0 | 0 | 111.9 | T119 V124 F369 F386 | T119-P381 HydrophobicContact CG2-CG 4.04Å; V124-P381 HydrophobicContact CG2-CG 3.95Å; F369-P381 HydrophobicContact CZ-CG 4.13Å; P381-F386 HydrophobicContact CB-CZ 4.06Å; P381-F386 HydrophobicContact CG-CZ 3.98Å; P381-F386 WeakPolarHBondContact O-CE2 3.25Å |
| 382 | Q | 94.3 | Very high | 97 | Very high | 165 Ų | 165 | 47.6 Ų | 47.6 | 77% | 0.771 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | 158.2 | -177.9 | -60.6 | -60.9 | -59.8 | 0 | 0 | 111.7 | L380 R384 | L380-Q382 PolarHBondContact O-N 3.11Å; L380-Q382 PolarHBondContact O-NE2 2.81Å; Q382-R384 VanDerWaalsContact C-N 3.28Å; Q382-R384 PolarHBondContact O-N 3.24Å |
| 383 | G | 91.9 | Very high | 96.9 | Very high | 64 Ų | 64 | 51.7 Ų | 51.7 | 66% | 0.66 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.5 | 19.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 384 | R | 92.8 | Very high | 96.9 | Very high | 37 Ų | 37 | 51.9 Ų | 51.9 | 14% | 0.14 | 29% | 0.29 | C | S | . | . | trans | -137.6 | 145.8 | 177.9 | -70.8 | -177.7 | -178.5 | -85.8 | -10.5 | 109.8 | N117 E118 Q382 F386 S499 | N117-R384 PolarHBondContact ND2-NH2 3.28Å; N117-R384 PolarHBondContact O-NH2 3.18Å; E118-R384 IonicContact OE1-CZ 2.86Å; E118-R384 IonicContact OE1-NH1 3.28Å; E118-R384 PolarHBondContact OE1-NH1 3.03Å; E118-R384 IonicContact OE2-CZ 3.95Å; E118-R384 IonicContact OE2-NE 3.04Å; E118-R384 IonicContact OE2-NH1 3.53Å; E118-R384 PolarHBondContact OE2-NH1 3.02Å; Q382-R384 VanDerWaalsContact C-N 3.28Å; Q382-R384 PolarHBondContact O-N 3.24Å; R384-F386 HydrophobicContact CB-CE2 4.46Å; R384-S499 PolarHBondContact NH1-OG 2.79Å | ||
| 385 | R | 96.2 | Very high | 96.8 | Very high | 102 Ų | 102 | 50 Ų | 50 | 39% | 0.385 | 28% | 0.275 | S | S | . | . | trans | -87.6 | 149.7 | 168.7 | -59.3 | -176.6 | -166.5 | -139.3 | 1.9 | 110.7 | R95 D492 D496 | R95-R385 WeakPolarHBondContact CG-O 3.45Å; R95-R385 PolarHBondContact NH1-O 3.18Å; R385-D492 WeakPolarHBondContact CD-OD1 3.4Å; R385-D492 WeakPolarHBondContact CD-OD2 3.37Å; R385-D492 IonicContact CZ-OD1 3.59Å; R385-D492 IonicContact NE-OD1 3.7Å; R385-D492 IonicContact NH1-OD1 2.71Å; R385-D492 PolarHBondContact NH1-OD1 2.92Å; R385-D496 HydrophobicContact CG-CB 4.33Å; R385-D496 PolarHBondContact N-OD1 2.75Å | ||
| 386 | F | 97.7 | Very high | 96.8 | Very high | 46 Ų | 46 | 50.7 Ų | 50.7 | 20% | 0.202 | 28% | 0.277 | C | S | . | . | trans | -117.8 | 139.7 | 176.3 | -66.6 | -88.7 | 0 | 0 | 0 | 109 | T93 R95 F369 L380 P381 R384 | T93-F386 WeakPolarHBondContact O-CD1 3.4Å; T93-F386 WeakPolarHBondContact O-CE1 3.37Å; R95-F386 HydrophobicContact CG-CD1 4.15Å; R95-F386 HydrophobicContact CG-CE1 4.49Å; F369-F386 HydrophobicContact CD1-CD1 4.11Å; F369-F386 AromaticContact CD1-CE1 3.94Å; F369-F386 HydrophobicContact CD1-CE1 3.94Å; F369-F386 HydrophobicContact CE1-CD1 4.07Å; F369-F386 AromaticContact CE1-CE1 3.43Å; F369-F386 HydrophobicContact CE1-CE1 3.43Å; F369-F386 VanDerWaalsContact CE1-CE1 3.43Å; F369-F386 HydrophobicContact CE1-CZ 4.12Å; F369-F386 HydrophobicContact CZ-CE1 4.01Å; L380-F386 HydrophobicContact CB-CD2 4.46Å; L380-F386 HydrophobicContact CB-CE2 3.89Å; L380-F386 HydrophobicContact CB-CZ 4.26Å; L380-F386 HydrophobicContact CD1-CD2 4.12Å; L380-F386 HydrophobicContact CD1-CE2 4.38Å; L380-F386 HydrophobicContact CD2-CE1 4.42Å; L380-F386 HydrophobicContact CD2-CE2 4.41Å; L380-F386 HydrophobicContact CD2-CZ 4.36Å; L380-F386 HydrophobicContact CG-CE2 4.47Å; P381-F386 HydrophobicContact CB-CZ 4.06Å; P381-F386 HydrophobicContact CG-CZ 3.98Å; P381-F386 WeakPolarHBondContact O-CE2 3.25Å; R384-F386 HydrophobicContact CB-CE2 4.46Å | ||
| 387 | D | 98.2 | Very high | 96.6 | Very high | 28 Ų | 28 | 52.5 Ų | 52.5 | 15% | 0.15 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -93 | -23.6 | 177.2 | -57.3 | -67.9 | 0 | 0 | 0 | 111.3 | G94 R95 L96 R99 L366 | G94-D387 PolarHBondContact O-N 3.16Å; R95-D387 WeakPolarHBondContact CA-OD2 3.05Å; L96-D387 WeakPolarHBondContact CB-OD2 3.38Å; L96-D387 HydrophobicContact CD1-CB 4.28Å; L96-D387 HydrophobicContact CG-CB 4.03Å; L96-D387 WeakPolarHBondContact CG-OD2 3.45Å; L96-D387 PolarHBondContact N-OD2 2.99Å; R99-D387 WeakPolarHBondContact CD-OD2 3.44Å; R99-D387 IonicContact CZ-OD1 3.55Å; R99-D387 VanDerWaalsContact CZ-OD1 3.29Å; R99-D387 IonicContact NE-OD1 3.12Å; R99-D387 PolarHBondContact NE-OD1 2.04Å; R99-D387 IonicContact NE-OD2 2.93Å; R99-D387 PolarHBondContact NE-OD2 3.2Å; R99-D387 IonicContact NH2-OD1 3.46Å; R99-D387 PolarHBondContact NH2-OD1 2.93Å; L366-D387 HydrophobicContact CD1-CB 3.96Å; L366-D387 HydrophobicContact CD2-CB 4.27Å |
| 388 | G | 97.8 | Very high | 96.5 | Very high | 6 Ų | 6 | 54.8 Ų | 54.8 | 6% | 0.062 | 30% | 0.299 | C | S | . | . | trans | -76.4 | 157 | 169.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | G94 L366 D367 | G94-G388 PolarHBondContact O-N 2.69Å; L366-G388 WeakPolarHBondContact O-CA 3.35Å; D367-G388 WeakPolarHBondContact OD1-CA 3.28Å | ||
| 389 | V | 96.9 | Very high | 96.2 | Very high | 64 Ų | 64 | 55.4 Ų | 55.4 | 39% | 0.388 | 30% | 0.302 | S | S | . | . | trans | -122.4 | 156.9 | 173.1 | -63.1 | 0 | 0 | 0 | 0 | 111.7 | D367 P370 T371 V391 | D367-V389 WeakPolarHBondContact CB-O 3.43Å; D367-V389 PolarHBondContact OD1-N 2.84Å; P370-V389 VanDerWaalsContact CG-C 3.48Å; P370-V389 WeakPolarHBondContact CG-O 3.41Å; T371-V389 PolarHBondContact OG1-O 3.17Å; V389-V391 HydrophobicContact CG2-CG1 3.81Å; V389-V391 PolarHBondContact O-N 3.45Å | ||
| 390 | D | 97.8 | Very high | 95.4 | Very high | 78 Ų | 78 | 56.6 Ų | 56.6 | 42% | 0.417 | 30% | 0.297 | S | S | . | . | trans | -70.3 | 114.6 | 170.4 | 175.1 | 11.9 | 0 | 0 | 0 | 110 | A374 S392 | A374-D390 HydrophobicContact CB-CB 4.38Å; A374-D390 WeakPolarHBondContact CB-OD2 3.35Å; D390-S392 VanDerWaalsContact CG-OG 3.31Å; D390-S392 WeakPolarHBondContact OD1-CB 3.42Å; D390-S392 PolarHBondContact OD1-N 3.09Å; D390-S392 PolarHBondContact OD1-OG 2.68Å; D390-S392 PolarHBondContact OD2-OG 3.01Å | ||
| 391 | V | 98.1 | Very high | 94.8 | Very high | 4 Ų | 4 | 58.2 Ų | 58.2 | 2% | 0.024 | 31% | 0.311 | C | S | . | . | trans | -107 | 18.9 | -179.1 | -54.9 | 0 | 0 | 0 | 0 | 112.5 | W298 L363 D367 T371 V389 E393 V394 L395 | W298-V391 HydrophobicContact CH2-CG2 3.71Å; W298-V391 HydrophobicContact CZ2-CG2 4.47Å; L363-V391 HydrophobicContact CD1-CG2 4.43Å; L363-V391 HydrophobicContact CD2-CB 4.15Å; L363-V391 HydrophobicContact CD2-CG1 3.61Å; D367-V391 HydrophobicContact CB-CG1 3.9Å; D367-V391 HydrophobicContact CB-CG2 4.15Å; T371-V391 HydrophobicContact CG2-CG2 4.17Å; T371-V391 WeakPolarHBondContact OG1-CG2 3.41Å; T371-V391 PolarHBondContact OG1-N 2.69Å; V389-V391 HydrophobicContact CG2-CG1 3.81Å; V389-V391 PolarHBondContact O-N 3.45Å; V391-E393 PolarHBondContact O-N 3.12Å; V391-V394 HydrophobicContact CB-CB 4.37Å; V391-V394 HydrophobicContact CB-CG2 4.44Å; V391-V394 WeakPolarHBondContact O-CA 3.26Å; V391-V394 WeakPolarHBondContact O-CB 3.4Å; V391-V394 PolarHBondContact O-N 2.64Å; V391-L395 HydrophobicContact CG2-CD1 4.4Å; V391-L395 HydrophobicContact CG2-CG 4.44Å; V391-L395 PolarHBondContact O-N 3.27Å | ||
| 392 | S | 97.6 | Very high | 94.6 | Very high | 14 Ų | 14 | 58.2 Ų | 58.2 | 10% | 0.098 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -53.2 | -38.8 | 178.6 | 55.8 | 0 | 0 | 0 | 0 | 113.2 | D390 V394 L395 F396 | D390-S392 VanDerWaalsContact CG-OG 3.31Å; D390-S392 WeakPolarHBondContact OD1-CB 3.42Å; D390-S392 PolarHBondContact OD1-N 3.09Å; D390-S392 PolarHBondContact OD1-OG 2.68Å; D390-S392 PolarHBondContact OD2-OG 3.01Å; S392-V394 VanDerWaalsContact C-N 3.32Å; S392-V394 PolarHBondContact O-N 3.48Å; S392-L395 WeakPolarHBondContact O-CB 3.36Å; S392-L395 PolarHBondContact O-N 3.2Å; S392-F396 WeakPolarHBondContact O-CD2 3.18Å; S392-F396 VanDerWaalsContact O-CG 3.23Å; S392-F396 WeakPolarHBondContact O-CG 3.49Å; S392-F396 PolarHBondContact O-N 2.85Å |
| 393 | E | 97.4 | Very high | 94.7 | Very high | 85 Ų | 85 | 51.8 Ų | 51.8 | 40% | 0.397 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -68.7 | -29.2 | 177.1 | -68.5 | -63.7 | 114.5 | 0 | 0 | 113 | V391 G397 R398 S399 | V391-E393 PolarHBondContact O-N 3.12Å; E393-G397 PolarHBondContact O-N 3.43Å; E393-R398 HydrophobicContact CB-CB 4.47Å; E393-R398 WeakPolarHBondContact O-CA 3.41Å; E393-R398 PolarHBondContact O-N 3.41Å; E393-R398 IonicContact OE1-NH1 3.9Å; E393-R398 PolarHBondContact OE1-NH1 3.32Å; E393-R398 VanDerWaalsContact OE2-CB 3.23Å; E393-R398 WeakPolarHBondContact OE2-CB 3.48Å; E393-R398 WeakPolarHBondContact OE2-CD 3.32Å; E393-R398 IonicContact OE2-NH1 2.72Å; E393-S399 PolarHBondContact O-N 2.91Å |
| 394 | V | 97.5 | Very high | 94.9 | Very high | 6 Ų | 6 | 56.8 Ų | 56.8 | 4% | 0.036 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -70.4 | -46.4 | 169.9 | -179.2 | 0 | 0 | 0 | 0 | 109.6 | M72 F74 A361 L363 V391 S392 F396 G397 | M72-V394 WeakPolarHBondContact CE-O 3.38Å; F74-V394 HydrophobicContact CE1-CG1 4.06Å; A361-V394 HydrophobicContact CB-CG1 3.78Å; L363-V394 HydrophobicContact CD1-CG1 4.35Å; V391-V394 HydrophobicContact CB-CB 4.37Å; V391-V394 HydrophobicContact CB-CG2 4.44Å; V391-V394 WeakPolarHBondContact O-CA 3.26Å; V391-V394 WeakPolarHBondContact O-CB 3.4Å; V391-V394 PolarHBondContact O-N 2.64Å; S392-V394 VanDerWaalsContact C-N 3.32Å; S392-V394 PolarHBondContact O-N 3.48Å; V394-F396 PolarHBondContact O-N 3.34Å; V394-G397 PolarHBondContact O-N 3.22Å |
| 395 | L | 97.7 | Very high | 95.2 | Very high | 1 Ų | 1 | 56.7 Ų | 56.7 | 1% | 0.005 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -57.8 | -36.3 | 178.1 | -70.9 | 169 | 0 | 0 | 0 | 112.6 | F74 F296 W298 A347 P354 T371 V391 S392 G397 | F74-L395 HydrophobicContact CE2-CD2 4.3Å; F74-L395 HydrophobicContact CZ-CD2 3.82Å; F296-L395 HydrophobicContact CE1-CD1 4.08Å; F296-L395 HydrophobicContact CE2-CD1 4.41Å; F296-L395 HydrophobicContact CE2-CD2 4.11Å; F296-L395 HydrophobicContact CZ-CD1 3.68Å; F296-L395 HydrophobicContact CZ-CD2 3.79Å; F296-L395 HydrophobicContact CZ-CG 4.41Å; W298-L395 HydrophobicContact CH2-CD1 4.26Å; W298-L395 HydrophobicContact CZ3-CD1 4.12Å; A347-L395 HydrophobicContact CB-CD2 3.48Å; A347-L395 VanDerWaalsContact CB-CD2 3.48Å; P354-L395 VanDerWaalsContact CD-O 3.23Å; P354-L395 WeakPolarHBondContact CD-O 3.3Å; T371-L395 HydrophobicContact CG2-CD1 3.56Å; V391-L395 HydrophobicContact CG2-CD1 4.4Å; V391-L395 HydrophobicContact CG2-CG 4.44Å; V391-L395 PolarHBondContact O-N 3.27Å; S392-L395 WeakPolarHBondContact O-CB 3.36Å; S392-L395 PolarHBondContact O-N 3.2Å; L395-G397 VanDerWaalsContact C-N 3.29Å; L395-G397 PolarHBondContact O-N 2.93Å |
| 396 | F | 97.6 | Very high | 95.2 | Very high | 38 Ų | 38 | 52.2 Ų | 52.2 | 17% | 0.167 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86 | 4.7 | 177.6 | -57.4 | -35 | 0 | 0 | 0 | 114 | W349 R352 L375 S392 V394 R398 | W349-F396 HydrophobicContact CE3-CE1 4.19Å; W349-F396 HydrophobicContact CZ3-CE1 4.12Å; W349-F396 HydrophobicContact CZ3-CZ 4.25Å; R352-F396 HydrophobicContact CB-CD1 4.32Å; R352-F396 HydrophobicContact CB-CE1 4.08Å; R352-F396 WeakPolarHBondContact O-CD1 3.18Å; L375-F396 HydrophobicContact CD2-CE2 4.06Å; L375-F396 HydrophobicContact CD2-CZ 3.6Å; S392-F396 WeakPolarHBondContact O-CD2 3.18Å; S392-F396 VanDerWaalsContact O-CG 3.23Å; S392-F396 WeakPolarHBondContact O-CG 3.49Å; S392-F396 PolarHBondContact O-N 2.85Å; V394-F396 PolarHBondContact O-N 3.34Å; F396-R398 VanDerWaalsContact C-N 3.27Å; F396-R398 HydrophobicContact CB-CG 4.27Å; F396-R398 PolarHBondContact O-N 3.17Å |
| 397 | G | 94.8 | Very high | 95.3 | Very high | 38 Ų | 38 | 51.6 Ų | 51.6 | 39% | 0.392 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.1 | 20.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | E393 V394 L395 | E393-G397 PolarHBondContact O-N 3.43Å; V394-G397 PolarHBondContact O-N 3.22Å; L395-G397 VanDerWaalsContact C-N 3.29Å; L395-G397 PolarHBondContact O-N 2.93Å |
| 398 | R | 94.4 | Very high | 95.3 | Very high | 168 Ų | 168 | 50.5 Ų | 50.5 | 63% | 0.634 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -96.9 | -19.2 | -179 | -61.7 | 172.3 | -175.2 | 165.5 | 2.2 | 112.7 | E393 F396 | E393-R398 HydrophobicContact CB-CB 4.47Å; E393-R398 WeakPolarHBondContact O-CA 3.41Å; E393-R398 PolarHBondContact O-N 3.41Å; E393-R398 IonicContact OE1-NH1 3.9Å; E393-R398 PolarHBondContact OE1-NH1 3.32Å; E393-R398 VanDerWaalsContact OE2-CB 3.23Å; E393-R398 WeakPolarHBondContact OE2-CB 3.48Å; E393-R398 WeakPolarHBondContact OE2-CD 3.32Å; E393-R398 IonicContact OE2-NH1 2.72Å; F396-R398 VanDerWaalsContact C-N 3.27Å; F396-R398 HydrophobicContact CB-CG 4.27Å; F396-R398 PolarHBondContact O-N 3.17Å |
| 399 | S | 91.4 | Very high | 95.3 | Very high | 37 Ų | 37 | 50.6 Ų | 50.6 | 26% | 0.259 | 26% | 0.262 | S | S | . | . | trans | -127.2 | 152 | 173.7 | -172.9 | 0 | 0 | 0 | 0 | 110.7 | E393 P401 | E393-S399 PolarHBondContact O-N 2.91Å; S399-P401 WeakPolarHBondContact OG-CD 3.32Å | ||
| 400 | Q | 80.6 | Confident | 95.3 | Very high | 120 Ų | 120 | 47.7 Ų | 47.7 | 56% | 0.561 | 24% | 0.244 | S | C | * | . | trans | -111.5 | -39.1 | 176.2 | -66.1 | -69 | -14 | 0 | 0 | 113 | A361 | A361-Q400 VanDerWaalsContact CB-O 3.24Å; A361-Q400 WeakPolarHBondContact CB-O 3.43Å | ||
| 401 | P | 85.2 | Confident | 95.3 | Very high | 99 Ų | 99 | 44.1 Ų | 44.1 | 64% | 0.643 | 23% | 0.225 | S | C | * | . | trans | -77.2 | 137.6 | 176.6 | 29.1 | -34.5 | 0 | 0 | 0 | 111.6 | S399 | S399-P401 WeakPolarHBondContact OG-CD 3.32Š| ||
| 402 | G | 90.9 | Very high | 95.2 | Very high | 22 Ų | 22 | 45.5 Ų | 45.5 | 23% | 0.227 | 24% | 0.24 | C | C | . | . | trans | -98 | -131.3 | 162.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | L362 | L362-G402 CarbonylContact O-C 3.53Å; L362-G402 WeakPolarHBondContact O-CA 3.47Å | ||
| 403 | H | 96.7 | Very high | 95.1 | Very high | 31 Ų | 31 | 45.7 Ų | 45.7 | 14% | 0.144 | 24% | 0.242 | C | C | . | . | trans | -60.2 | 150.3 | 173.4 | -71.1 | -87.4 | 0 | 0 | 0 | 112.4 | L362 D367 L406 | L362-H403 HydrophobicContact CB-CB 4.49Å; L362-H403 HydrophobicContact CD2-CB 4.09Å; L362-H403 HydrophobicContact CG-CB 4.14Å; L362-H403 PolarHBondContact O-CD2 3.27Å; L362-H403 PolarHBondContact O-N 3.17Å; D367-H403 VanDerWaalsContact CG-NE2 3.27Å; D367-H403 IonicContact OD1-CD2 2.92Å; D367-H403 IonicContact OD1-CE1 2.68Å; D367-H403 PolarHBondContact OD1-CE1 3.02Å; D367-H403 IonicContact OD1-NE2 2.89Å; D367-H403 PolarHBondContact OD1-NE2 2.9Å; D367-H403 IonicContact OD2-CD2 2.7Å; D367-H403 PolarHBondContact OD2-CD2 3.02Å; D367-H403 IonicContact OD2-NE2 2.93Å; D367-H403 PolarHBondContact OD2-NE2 3.32Å; D367-H403 VanDerWaalsContact OD2-NE2 3.07Å; H403-L406 HydrophobicContact CB-CD2 3.92Å; H403-L406 HydrophobicContact CB-CG 4.16Å | ||
| 404 | R | 96.2 | Very high | 95.1 | Very high | 169 Ų | 169 | 42.2 Ų | 42.2 | 64% | 0.638 | 23% | 0.228 | S | C | * | . | S | Bend | trans | -95.4 | -24.1 | 162.3 | -68.5 | -176.8 | 63.9 | -150.7 | -0.7 | 112.4 | E426 | R404-E426 IonicContact CZ-OE1 3.99Å; R404-E426 IonicContact NE-OE1 2.72Å; R404-E426 PolarHBondContact NE-OE1 2.79Å; R404-E426 VanDerWaalsContact NE-OE1 3.16Å; R404-E426 IonicContact NH2-OE1 3.01Å; R404-E426 PolarHBondContact NH2-OE1 3.36Å; R404-E426 PolarHBondContact O-N 2.79Å |
| 405 | V | 97.9 | Very high | 95.1 | Very high | 35 Ų | 35 | 43.1 Ų | 43.1 | 21% | 0.212 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 132.1 | -178.7 | -170 | 0 | 0 | 0 | 0 | 108.8 | F407 V423 R424 L425 V485 | V405-F407 HydrophobicContact CB-CE2 4.5Å; V405-F407 HydrophobicContact CG1-CD2 4.37Å; V405-F407 HydrophobicContact CG1-CE1 3.98Å; V405-F407 HydrophobicContact CG1-CE2 3.66Å; V405-F407 HydrophobicContact CG1-CZ 3.43Å; V405-F407 VanDerWaalsContact CG1-CZ 3.43Å; V405-V423 HydrophobicContact CG1-CG1 4.03Å; V405-R424 CarbonylContact C-O 3.49Å; V405-R424 WeakPolarHBondContact CA-O 3.38Å; V405-R424 WeakPolarHBondContact CG1-O 3.41Å; V405-L425 HydrophobicContact CG2-CD1 3.68Å; V405-V485 HydrophobicContact CG1-CB 4.31Å; V405-V485 HydrophobicContact CG1-CG2 4.2Å; V405-V485 HydrophobicContact CG2-CB 4.37Å; V405-V485 HydrophobicContact CG2-CG1 4.07Å |
| 406 | L | 98 | Very high | 95.1 | Very high | 8 Ų | 8 | 50.8 Ų | 50.8 | 4% | 0.042 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 151.7 | 163.3 | -67.1 | -179.3 | 0 | 0 | 0 | 109.4 | H78 L362 H403 R424 | H78-L406 HydrophobicContact CB-CD1 4Å; L362-L406 HydrophobicContact CD1-CD1 3.58Å; L362-L406 HydrophobicContact CD1-CG 4.33Å; L362-L406 HydrophobicContact CD2-CD1 4.2Å; L362-L406 HydrophobicContact CD2-CG 4.04Å; L362-L406 HydrophobicContact CG-CD1 3.73Å; L362-L406 HydrophobicContact CG-CG 4.04Å; H403-L406 HydrophobicContact CB-CD2 3.92Å; H403-L406 HydrophobicContact CB-CG 4.16Å; L406-R424 HydrophobicContact CB-CB 4.04Å; L406-R424 HydrophobicContact CB-CG 4.38Å; L406-R424 PolarHBondContact N-O 3.16Å; L406-R424 PolarHBondContact O-N 2.82Å |
| 407 | F | 98.3 | Very high | 95.1 | Very high | 32 Ų | 32 | 53.4 Ų | 53.4 | 14% | 0.14 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 138.6 | 174 | -59.8 | -80.7 | 0 | 0 | 0 | 108.4 | L96 V405 P409 L420 V423 V485 L486 V489 | L96-F407 HydrophobicContact CD1-CB 4.49Å; V405-F407 HydrophobicContact CB-CE2 4.5Å; V405-F407 HydrophobicContact CG1-CD2 4.37Å; V405-F407 HydrophobicContact CG1-CE1 3.98Å; V405-F407 HydrophobicContact CG1-CE2 3.66Å; V405-F407 HydrophobicContact CG1-CZ 3.43Å; V405-F407 VanDerWaalsContact CG1-CZ 3.43Å; F407-P409 WeakPolarHBondContact O-CD 3.31Å; F407-L420 HydrophobicContact CB-CD1 4.01Å; F407-L420 HydrophobicContact CB-CD2 4.02Å; F407-L420 HydrophobicContact CB-CG 4.48Å; F407-L420 HydrophobicContact CD1-CD1 4.37Å; F407-L420 HydrophobicContact CG-CD1 4.13Å; F407-V423 HydrophobicContact CD1-CB 4.48Å; F407-V423 HydrophobicContact CD1-CG1 4.24Å; F407-V423 HydrophobicContact CD1-CG2 3.96Å; F407-V423 HydrophobicContact CE1-CB 4.47Å; F407-V423 HydrophobicContact CE1-CG1 3.89Å; F407-V423 HydrophobicContact CE1-CG2 3.95Å; F407-V485 WeakPolarHBondContact CZ-O 3.2Å; F407-L486 HydrophobicContact CE1-CD1 4.41Å; F407-V489 HydrophobicContact CD1-CG1 3.81Å; F407-V489 HydrophobicContact CD2-CB 4.28Å; F407-V489 HydrophobicContact CD2-CG1 4.2Å; F407-V489 HydrophobicContact CD2-CG2 3.89Å; F407-V489 HydrophobicContact CE1-CB 4.05Å; F407-V489 HydrophobicContact CE1-CG1 3.34Å; F407-V489 HydrophobicContact CE2-CB 3.59Å; F407-V489 HydrophobicContact CE2-CG1 3.77Å; F407-V489 HydrophobicContact CE2-CG2 3.58Å; F407-V489 HydrophobicContact CG-CG1 4.22Å; F407-V489 HydrophobicContact CZ-CB 3.46Å; F407-V489 VanDerWaalsContact CZ-CB 3.46Å; F407-V489 HydrophobicContact CZ-CG1 3.31Å; F407-V489 HydrophobicContact CZ-CG2 4Å |
| 408 | H | 97.8 | Very high | 95.2 | Very high | 6 Ų | 6 | 51.7 Ų | 51.7 | 3% | 0.028 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 100.7 | -179.9 | -55.2 | -63.3 | 0 | 0 | 0 | 108 | H78 T336 H341 T422 R424 | H78-H408 AromaticContact ND1-CE1 3.79Å; T336-H408 HydrophobicContact CG2-CB 4.13Å; T336-H408 WeakPolarHBondContact CG2-O 3.27Å; H341-H408 AromaticContact CD2-CG 4Å; H341-H408 AromaticContact CD2-ND1 3.89Å; H341-H408 AromaticContact CE1-CD2 3.76Å; H341-H408 AromaticContact CE1-CE1 3.1Å; H341-H408 PolarHBondContact CE1-CE1 3.25Å; H341-H408 AromaticContact CE1-CG 3.66Å; H341-H408 AromaticContact CE1-ND1 3.26Å; H341-H408 PolarHBondContact CE1-ND1 2.84Å; H341-H408 VanDerWaalsContact CE1-ND1 3.26Å; H341-H408 AromaticContact CE1-NE2 3.42Å; H341-H408 PolarHBondContact CE1-NE2 3.45Å; H341-H408 AromaticContact CG-ND1 3.71Å; H341-H408 AromaticContact ND1-CE1 3.34Å; H341-H408 PolarHBondContact ND1-CE1 3.17Å; H341-H408 VanDerWaalsContact ND1-CE1 3.34Å; H341-H408 AromaticContact ND1-ND1 3.31Å; H341-H408 PolarHBondContact ND1-ND1 3.41Å; H341-H408 AromaticContact NE2-CD2 3.79Å; H341-H408 AromaticContact NE2-CE1 3.81Å; H341-H408 AromaticContact NE2-CG 3.57Å; H341-H408 AromaticContact NE2-ND1 3.59Å; H341-H408 AromaticContact NE2-NE2 3.93Å; H408-T422 HydrophobicContact CB-CG2 4.27Å; H408-T422 PolarHBondContact N-O 2.77Å; H408-T422 VanDerWaalsContact N-O 3.13Å; H408-R424 WeakPolarHBondContact NE2-CB 3.18Å |
| 409 | P | 98.1 | Very high | 95.4 | Very high | 8 Ų | 8 | 44.7 Ų | 44.7 | 5% | 0.052 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 138.4 | 178.8 | -18.7 | 30.6 | 0 | 0 | 0 | 111.5 | A80 L96 F407 S411 L420 | A80-P409 WeakPolarHBondContact O-CD 3.34Å; A80-P409 WeakPolarHBondContact O-CG 3.36Å; L96-P409 HydrophobicContact CD2-CG 3.96Å; F407-P409 WeakPolarHBondContact O-CD 3.31Å; P409-S411 PolarHBondContact O-N 3.48Å; P409-S411 PolarHBondContact O-OG 3.26Å; P409-L420 HydrophobicContact CB-CD2 4Å; P409-L420 HydrophobicContact CG-CD2 3.76Å |
| 410 | N | 98.6 | Very high | 95.7 | Very high | 3 Ų | 3 | 43.3 Ų | 43.3 | 2% | 0.016 | 24% | 0.236 | C | C | . | . | trans | -56.6 | 134.3 | 172.4 | -70.6 | -13.3 | 0 | 0 | 0 | 110.7 | A414 G415 E416 G418 A419 Q421 | N410-A414 VanDerWaalsContact CB-O 3.31Å; N410-A414 WeakPolarHBondContact CB-O 3.3Å; N410-A414 VanDerWaalsContact CG-O 3.27Å; N410-A414 PolarHBondContact ND2-O 2.85Å; N410-G415 WeakPolarHBondContact ND2-CA 3.16Å; N410-E416 WeakPolarHBondContact CB-O 3.3Å; N410-G418 PolarHBondContact O-N 3.07Å; N410-A419 PolarHBondContact N-O 2.75Å; N410-Q421 PolarHBondContact ND2-OE1 2.98Å | ||
| 411 | S | 97.1 | Very high | 96.6 | Very high | 3 Ų | 3 | 40.3 Ų | 40.3 | 2% | 0.021 | 22% | 0.222 | C | C | . | . | trans | -128.9 | 22.8 | -165.9 | -64.2 | 0 | 0 | 0 | 0 | 113 | S82 T83 Q334 P409 F417 | S82-S411 PolarHBondContact N-OG 2.95Å; T83-S411 WeakPolarHBondContact CG2-O 3.35Å; Q334-S411 WeakPolarHBondContact CA-O 3.44Å; Q334-S411 WeakPolarHBondContact CB-O 3.39Å; Q334-S411 CarbonylContact O-C 3.56Å; Q334-S411 VanDerWaalsContact O-C 3.24Å; P409-S411 PolarHBondContact O-N 3.48Å; P409-S411 PolarHBondContact O-OG 3.26Å; S411-F417 VanDerWaalsContact C-CE1 3.4Å; S411-F417 WeakPolarHBondContact O-CE1 3.41Å | ||
| 412 | G | 95 | Very high | 97.2 | Very high | 32 Ų | 32 | 35.6 Ų | 35.6 | 33% | 0.33 | 19% | 0.192 | S | C | . | . | S | Bend | trans | 114.9 | -20.5 | 169.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | F417 | G412-F417 VanDerWaalsContact CA-CZ 3.41Š|
| 413 | A | 96.8 | Very high | 97.6 | Very high | 18 Ų | 18 | 34.6 Ų | 34.6 | 15% | 0.149 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -79.4 | -24.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q334 T335 A437 | Q334-A413 HydrophobicContact CB-CB 4.41Å; Q334-A413 VanDerWaalsContact O-CB 3.23Å; Q334-A413 WeakPolarHBondContact O-CB 3.48Å; Q334-A413 PolarHBondContact O-N 3.25Å; Q334-A413 VanDerWaalsContact O-N 3.07Å; T335-A413 HydrophobicContact CG2-CB 3.67Å; A413-A437 HydrophobicContact CB-CB 4.18Å |
| 414 | A | 97.4 | Very high | 97.6 | Very high | 12 Ų | 12 | 33.7 Ų | 33.7 | 10% | 0.099 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -162.3 | 149.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | N410 V433 E447 | N410-A414 VanDerWaalsContact CB-O 3.31Å; N410-A414 WeakPolarHBondContact CB-O 3.3Å; N410-A414 VanDerWaalsContact CG-O 3.27Å; N410-A414 PolarHBondContact ND2-O 2.85Å; A414-V433 HydrophobicContact CB-CG1 3.66Å; A414-E447 WeakPolarHBondContact CA-OE2 3.49Å; A414-E447 HydrophobicContact CB-CB 4.36Å; A414-E447 HydrophobicContact CB-CG 4.01Å |
| 415 | G | 97.4 | Very high | 97.7 | Very high | 25 Ų | 25 | 26.1 Ų | 26.1 | 26% | 0.258 | 15% | 0.148 | S | C | . | . | S | Bend | trans | 64.2 | 179.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | N410 E447 | N410-G415 WeakPolarHBondContact ND2-CA 3.16Å; G415-E447 PolarHBondContact N-OE2 3Å |
| 416 | E | 97.6 | Very high | 97.6 | Very high | 162 Ų | 162 | 28.2 Ų | 28.2 | 76% | 0.757 | 16% | 0.156 | S | C | * | . | S | Bend | trans | -73.6 | 139.3 | -179.1 | -64.5 | 179.3 | 177.6 | 0 | 0 | 111.4 | N410 G418 A419 | N410-E416 WeakPolarHBondContact CB-O 3.3Å; E416-G418 PolarHBondContact O-N 2.73Å; E416-A419 HydrophobicContact CB-CB 4.22Å; E416-A419 VanDerWaalsContact O-CB 3.24Å; E416-A419 WeakPolarHBondContact O-CB 3.27Å; E416-A419 PolarHBondContact O-N 2.82Å |
| 417 | F | 97.6 | Very high | 97.6 | Very high | 94 Ų | 94 | 32.7 Ų | 32.7 | 41% | 0.412 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | 129.8 | 177.5 | -78.6 | -78.2 | 0 | 0 | 0 | 112.1 | H104 S411 G412 A419 | H104-F417 HydrophobicContact CB-CB 4.41Å; H104-F417 HydrophobicContact CB-CD1 3.86Å; H104-F417 HydrophobicContact CB-CD2 4.4Å; H104-F417 HydrophobicContact CB-CE1 4.16Å; H104-F417 HydrophobicContact CB-CG 3.99Å; S411-F417 VanDerWaalsContact C-CE1 3.4Å; S411-F417 WeakPolarHBondContact O-CE1 3.41Å; G412-F417 VanDerWaalsContact CA-CZ 3.41Å; F417-A419 PolarHBondContact O-N 2.84Å |
| 418 | G | 97.4 | Very high | 97.6 | Very high | 2 Ų | 2 | 32.1 Ų | 32.1 | 2% | 0.021 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.2 | -16.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | L98 N410 E416 L420 | L98-G418 VanDerWaalsContact CD1-O 3.3Å; L98-G418 WeakPolarHBondContact CD1-O 3.33Å; L98-G418 WeakPolarHBondContact CD2-O 3.44Å; L98-G418 WeakPolarHBondContact CG-O 3.29Å; N410-G418 PolarHBondContact O-N 3.07Å; E416-G418 PolarHBondContact O-N 2.73Å; G418-L420 PolarHBondContact O-N 3.23Å |
| 419 | A | 98.1 | Very high | 97.7 | Very high | 21 Ų | 21 | 31.8 Ų | 31.8 | 17% | 0.174 | 17% | 0.168 | C | C | . | . | trans | -61.9 | 139.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | N410 E416 F417 Q421 | N410-A419 PolarHBondContact N-O 2.75Å; E416-A419 HydrophobicContact CB-CB 4.22Å; E416-A419 VanDerWaalsContact O-CB 3.24Å; E416-A419 WeakPolarHBondContact O-CB 3.27Å; E416-A419 PolarHBondContact O-N 2.82Å; F417-A419 PolarHBondContact O-N 2.84Å; A419-Q421 PolarHBondContact O-N 3.44Å | ||
| 420 | L | 98.1 | Very high | 97.7 | Very high | 7 Ų | 7 | 31.4 Ų | 31.4 | 4% | 0.037 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 96.5 | 178.9 | -55.8 | -173.5 | 0 | 0 | 0 | 109.7 | L96 L98 F407 P409 G418 L486 V489 L490 I493 | L96-L420 HydrophobicContact CD1-CD1 4.41Å; L98-L420 HydrophobicContact CD1-CD1 4.33Å; L98-L420 HydrophobicContact CD1-CD2 4.4Å; L98-L420 HydrophobicContact CD1-CG 3.81Å; F407-L420 HydrophobicContact CB-CD1 4.01Å; F407-L420 HydrophobicContact CB-CD2 4.02Å; F407-L420 HydrophobicContact CB-CG 4.48Å; F407-L420 HydrophobicContact CD1-CD1 4.37Å; F407-L420 HydrophobicContact CG-CD1 4.13Å; P409-L420 HydrophobicContact CB-CD2 4Å; P409-L420 HydrophobicContact CG-CD2 3.76Å; G418-L420 PolarHBondContact O-N 3.23Å; L420-L486 HydrophobicContact CB-CD1 4.19Å; L420-L486 WeakPolarHBondContact O-CD1 3.21Å; L420-V489 HydrophobicContact CD1-CG1 3.9Å; L420-V489 HydrophobicContact CD1-CG2 4.27Å; L420-L490 HydrophobicContact CB-CD2 4.3Å; L420-I493 HydrophobicContact CD1-CD1 3.69Å |
| 421 | Q | 97.9 | Very high | 97.7 | Very high | 58 Ų | 58 | 31.3 Ų | 31.3 | 27% | 0.271 | 17% | 0.165 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 3 | 177.4 | -66.3 | 178 | -58.2 | 0 | 0 | 112.7 | N410 A419 Y432 V433 | N410-Q421 PolarHBondContact ND2-OE1 2.98Å; A419-Q421 PolarHBondContact O-N 3.44Å; Q421-Y432 PolarHBondContact O-N 3.13Å; Q421-V433 HydrophobicContact CB-CB 4.37Å; Q421-V433 HydrophobicContact CB-CG2 4.31Å; Q421-V433 HydrophobicContact CG-CG2 4.45Å |
| 422 | T | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 127.8 | 173.7 | -53.8 | 0 | 0 | 0 | 0 | 109.9 | T336 H408 K429 A430 F431 | T336-T422 WeakPolarHBondContact CB-OG1 3.31Å; T336-T422 PolarHBondContact OG1-OG1 3Å; H408-T422 HydrophobicContact CB-CG2 4.27Å; H408-T422 PolarHBondContact N-O 2.77Å; H408-T422 VanDerWaalsContact N-O 3.13Å; T422-K429 HydrophobicContact CG2-CG 4.32Å; T422-A430 CarbonylContact C-O 3.47Å; T422-A430 VanDerWaalsContact CA-O 3.28Å; T422-A430 WeakPolarHBondContact CA-O 3.41Å; T422-F431 HydrophobicContact CG2-CD1 3.66Å; T422-F431 HydrophobicContact CG2-CE1 3.58Å; T422-F431 HydrophobicContact CG2-CE2 4.49Å; T422-F431 HydrophobicContact CG2-CG 4.19Å; T422-F431 HydrophobicContact CG2-CZ 4.03Å |
| 423 | V | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 127 | -175 | -176 | 0 | 0 | 0 | 0 | 109.8 | V405 F407 K429 A430 V482 V485 L486 | V405-V423 HydrophobicContact CG1-CG1 4.03Å; F407-V423 HydrophobicContact CD1-CB 4.48Å; F407-V423 HydrophobicContact CD1-CG1 4.24Å; F407-V423 HydrophobicContact CD1-CG2 3.96Å; F407-V423 HydrophobicContact CE1-CB 4.47Å; F407-V423 HydrophobicContact CE1-CG1 3.89Å; F407-V423 HydrophobicContact CE1-CG2 3.95Å; V423-K429 CarbonylContact O-C 3.6Å; V423-K429 WeakPolarHBondContact O-CA 3.19Å; V423-A430 PolarHBondContact N-O 3.16Å; V423-A430 PolarHBondContact O-N 2.94Å; V423-V482 HydrophobicContact CB-CG1 4.47Å; V423-V485 HydrophobicContact CG1-CG2 3.77Å; V423-L486 HydrophobicContact CG2-CB 4.09Å; V423-L486 HydrophobicContact CG2-CD1 4Å; V423-L486 HydrophobicContact CG2-CD2 4.4Å; V423-L486 HydrophobicContact CG2-CG 4.39Å |
| 424 | R | 98.3 | Very high | 98 | Very high | 13 Ų | 13 | 30.8 Ų | 30.8 | 5% | 0.049 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 113.3 | 164.5 | 173.5 | 67.3 | 166.8 | 164.4 | 2.5 | 107.7 | D76 L362 V405 L406 H408 E426 R427 Y428 L458 | D76-R424 IonicContact OD2-NH2 2.73Å; L362-R424 HydrophobicContact CD1-CG 4.32Å; L362-R424 HydrophobicContact CD2-CG 3.93Å; V405-R424 CarbonylContact C-O 3.49Å; V405-R424 WeakPolarHBondContact CA-O 3.38Å; V405-R424 WeakPolarHBondContact CG1-O 3.41Å; L406-R424 HydrophobicContact CB-CB 4.04Å; L406-R424 HydrophobicContact CB-CG 4.38Å; L406-R424 PolarHBondContact N-O 3.16Å; L406-R424 PolarHBondContact O-N 2.82Å; H408-R424 WeakPolarHBondContact NE2-CB 3.18Å; R424-E426 WeakPolarHBondContact CD-O 3.43Å; R424-E426 PolarHBondContact NE-O 2.73Å; R424-E426 PolarHBondContact NH1-O 2.81Å; R424-E426 PolarHBondContact NH2-O 2.99Å; R424-R427 VanDerWaalsContact NH1-CA 3.33Å; R424-R427 PolarHBondContact NH1-O 2.94Å; R424-Y428 CarbonylContact C-O 3.59Å; R424-Y428 WeakPolarHBondContact CA-O 3.44Å; R424-L458 VanDerWaalsContact NH1-CB 3.32Å |
| 425 | L | 98.3 | Very high | 98 | Very high | 9 Ų | 9 | 30.4 Ų | 30.4 | 5% | 0.047 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 106.4 | 173.7 | 170.4 | 63.7 | 0 | 0 | 0 | 108.3 | V405 R427 Y428 K481 V482 V485 | V405-L425 HydrophobicContact CG2-CD1 3.68Å; L425-R427 PolarHBondContact O-N 3.03Å; L425-Y428 PolarHBondContact N-O 3.1Å; L425-Y428 WeakPolarHBondContact O-CA 3.4Å; L425-Y428 WeakPolarHBondContact O-CB 3.35Å; L425-Y428 PolarHBondContact O-N 3.01Å; L425-K481 HydrophobicContact CD2-CB 3.57Å; L425-V482 HydrophobicContact CB-CG2 4.49Å; L425-V482 HydrophobicContact CD2-CG2 4.06Å; L425-V485 HydrophobicContact CD1-CG1 4.36Å |
| 426 | E | 96 | Very high | 98.1 | Very high | 79 Ų | 79 | 29.2 Ų | 29.2 | 37% | 0.369 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.8 | -121.1 | -173.7 | -60.5 | 168.6 | 177 | 0 | 0 | 109.2 | R404 R424 Y428 | R404-E426 IonicContact CZ-OE1 3.99Å; R404-E426 IonicContact NE-OE1 2.72Å; R404-E426 PolarHBondContact NE-OE1 2.79Å; R404-E426 VanDerWaalsContact NE-OE1 3.16Å; R404-E426 IonicContact NH2-OE1 3.01Å; R404-E426 PolarHBondContact NH2-OE1 3.36Å; R404-E426 PolarHBondContact O-N 2.79Å; R424-E426 WeakPolarHBondContact CD-O 3.43Å; R424-E426 PolarHBondContact NE-O 2.73Å; R424-E426 PolarHBondContact NH1-O 2.81Å; R424-E426 PolarHBondContact NH2-O 2.99Å; E426-Y428 VanDerWaalsContact C-N 3.35Å |
| 427 | R | 97 | Very high | 98.1 | Very high | 103 Ų | 103 | 21.8 Ų | 21.8 | 39% | 0.389 | 10% | 0.1 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -5.9 | 176.3 | 66.8 | -173 | 168.4 | -160.3 | -1.4 | 115.1 | R424 L425 L458 E459 | R424-R427 VanDerWaalsContact NH1-CA 3.33Å; R424-R427 PolarHBondContact NH1-O 2.94Å; L425-R427 PolarHBondContact O-N 3.03Å; R427-L458 PolarHBondContact O-N 3.24Å; R427-E459 HydrophobicContact CB-CB 4.17Å; R427-E459 WeakPolarHBondContact CD-OE2 3.46Å; R427-E459 IonicContact CZ-OE2 3.7Å; R427-E459 IonicContact NE-OE2 3.61Å; R427-E459 IonicContact NH1-OE2 2.72Å; R427-E459 PolarHBondContact NH1-OE2 2.96Å |
| 428 | Y | 98.7 | Very high | 98.1 | Very high | 19 Ų | 19 | 22.4 Ų | 22.4 | 8% | 0.075 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 136.9 | -177.6 | -60.2 | -73 | 0 | 0 | 0 | 111.3 | R424 L425 E426 I455 F456 N457 L468 E474 V478 | R424-Y428 CarbonylContact C-O 3.59Å; R424-Y428 WeakPolarHBondContact CA-O 3.44Å; L425-Y428 PolarHBondContact N-O 3.1Å; L425-Y428 WeakPolarHBondContact O-CA 3.4Å; L425-Y428 WeakPolarHBondContact O-CB 3.35Å; L425-Y428 PolarHBondContact O-N 3.01Å; E426-Y428 VanDerWaalsContact C-N 3.35Å; Y428-I455 HydrophobicContact CD1-CG2 4.13Å; Y428-I455 HydrophobicContact CG-CG2 4.49Å; Y428-F456 CarbonylContact C-O 3.58Å; Y428-F456 VanDerWaalsContact CA-O 3.29Å; Y428-F456 WeakPolarHBondContact CA-O 3.44Å; Y428-N457 HydrophobicContact CD1-CB 4.09Å; Y428-N457 HydrophobicContact CE1-CB 3.87Å; Y428-L468 HydrophobicContact CD1-CD1 4.13Å; Y428-L468 HydrophobicContact CE1-CD1 4.05Å; Y428-E474 HydrophobicContact CE1-CG 4.05Å; Y428-E474 WeakPolarHBondContact CE1-OE1 3.48Å; Y428-E474 VanDerWaalsContact CZ-OE1 3.25Å; Y428-E474 PolarHBondContact OH-OE1 3.18Å; Y428-V478 HydrophobicContact CD1-CG1 4.26Å; Y428-V478 HydrophobicContact CD1-CG2 4.12Å; Y428-V478 HydrophobicContact CD2-CG1 3.93Å; Y428-V478 HydrophobicContact CD2-CG2 3.75Å; Y428-V478 HydrophobicContact CE1-CG2 3.97Å; Y428-V478 HydrophobicContact CE2-CG2 3.58Å; Y428-V478 HydrophobicContact CG-CG1 3.73Å; Y428-V478 HydrophobicContact CG-CG2 4.02Å |
| 429 | K | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 123.2 | 173.5 | -169.5 | 173.4 | 171.6 | -163 | 0 | 110.3 | T336 W337 E338 H341 T422 V423 F431 I455 F456 L458 E464 | T336-K429 WeakPolarHBondContact O-CE 3.38Å; T336-K429 PolarHBondContact O-NZ 2.76Å; W337-K429 VanDerWaalsContact C-NZ 3.31Å; E338-K429 HydrophobicContact CG-CD 4.46Å; E338-K429 WeakPolarHBondContact OE1-CD 3.28Å; E338-K429 WeakPolarHBondContact OE1-CE 3.36Å; E338-K429 IonicContact OE1-NZ 2.62Å; E338-K429 PolarHBondContact OE1-NZ 3.36Å; H341-K429 PolarHBondContact NE2-NZ 3.31Å; T422-K429 HydrophobicContact CG2-CG 4.32Å; V423-K429 CarbonylContact O-C 3.6Å; V423-K429 WeakPolarHBondContact O-CA 3.19Å; K429-F431 HydrophobicContact CD-CE2 4.02Å; K429-F431 HydrophobicContact CD-CZ 4Å; K429-F431 HydrophobicContact CG-CE2 3.83Å; K429-F431 HydrophobicContact CG-CZ 4.2Å; K429-I455 CarbonylContact O-C 3.52Å; K429-I455 WeakPolarHBondContact O-CA 3.37Å; K429-F456 PolarHBondContact N-O 3.48Å; K429-F456 PolarHBondContact O-N 2.75Å; K429-L458 HydrophobicContact CB-CD1 4.09Å; K429-L458 HydrophobicContact CB-CD2 4.34Å; K429-L458 HydrophobicContact CB-CG 4.15Å; K429-L458 HydrophobicContact CD-CD1 4.01Å; K429-E464 WeakPolarHBondContact CD-OE1 3.33Å; K429-E464 WeakPolarHBondContact CE-OE1 3.21Å; K429-E464 IonicContact NZ-OE1 3.66Å; K429-E464 PolarHBondContact NZ-OE1 3.18Å; K429-E464 IonicContact NZ-OE2 3.58Å |
| 430 | A | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 132 | -170.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | T422 V423 P453 L454 I455 V482 | T422-A430 CarbonylContact C-O 3.47Å; T422-A430 VanDerWaalsContact CA-O 3.28Å; T422-A430 WeakPolarHBondContact CA-O 3.41Å; V423-A430 PolarHBondContact N-O 3.16Å; V423-A430 PolarHBondContact O-N 2.94Å; A430-P453 HydrophobicContact CB-CB 4.25Å; A430-L454 CarbonylContact C-O 3.59Å; A430-L454 WeakPolarHBondContact CA-O 3.41Å; A430-I455 HydrophobicContact CB-CG1 3.96Å; A430-V482 HydrophobicContact CB-CB 4.43Å; A430-V482 HydrophobicContact CB-CG1 3.5Å; A430-V482 VanDerWaalsContact CB-CG1 3.5Å; A430-V482 HydrophobicContact CB-CG2 4.08Å |
| 431 | F | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 116 | -178.3 | -64.8 | -98.4 | 0 | 0 | 0 | 110.8 | T336 W337 T422 K429 T434 P453 L454 F456 E464 | T336-F431 WeakPolarHBondContact OG1-CE1 3.46Å; W337-F431 HydrophobicContact CD2-CE1 4.06Å; W337-F431 HydrophobicContact CD2-CZ 4.01Å; W337-F431 HydrophobicContact CE3-CE1 4.04Å; W337-F431 HydrophobicContact CE3-CE2 4.11Å; W337-F431 AromaticContact CE3-CZ 3.54Å; W337-F431 HydrophobicContact CE3-CZ 3.54Å; W337-F431 HydrophobicContact CH2-CZ 4.39Å; W337-F431 HydrophobicContact CZ3-CD2 4.48Å; W337-F431 HydrophobicContact CZ3-CE1 4.28Å; W337-F431 AromaticContact CZ3-CE2 3.89Å; W337-F431 HydrophobicContact CZ3-CE2 3.89Å; W337-F431 AromaticContact CZ3-CZ 3.75Å; W337-F431 HydrophobicContact CZ3-CZ 3.75Å; T422-F431 HydrophobicContact CG2-CD1 3.66Å; T422-F431 HydrophobicContact CG2-CE1 3.58Å; T422-F431 HydrophobicContact CG2-CE2 4.49Å; T422-F431 HydrophobicContact CG2-CG 4.19Å; T422-F431 HydrophobicContact CG2-CZ 4.03Å; K429-F431 HydrophobicContact CD-CE2 4.02Å; K429-F431 HydrophobicContact CD-CZ 4Å; K429-F431 HydrophobicContact CG-CE2 3.83Å; K429-F431 HydrophobicContact CG-CZ 4.2Å; F431-T434 HydrophobicContact CB-CG2 3.65Å; F431-T434 HydrophobicContact CD1-CG2 4.05Å; F431-T434 HydrophobicContact CG-CG2 3.99Å; F431-P453 CarbonylContact O-C 3.52Å; F431-P453 WeakPolarHBondContact O-CA 3.46Å; F431-P453 VanDerWaalsContact O-CB 3.29Å; F431-P453 WeakPolarHBondContact O-CB 3.16Å; F431-L454 HydrophobicContact CB-CB 4.46Å; F431-L454 PolarHBondContact N-O 2.82Å; F431-L454 PolarHBondContact O-N 3.38Å; F431-F456 AromaticContact CD2-CD2 3.82Å; F431-F456 HydrophobicContact CD2-CD2 3.82Å; F431-F456 AromaticContact CD2-CE2 3.74Å; F431-F456 HydrophobicContact CD2-CE2 3.74Å; F431-F456 AromaticContact CE2-CD2 3.73Å; F431-F456 HydrophobicContact CE2-CD2 3.73Å; F431-F456 AromaticContact CE2-CE2 3.85Å; F431-F456 HydrophobicContact CE2-CE2 3.85Å; F431-E464 VanDerWaalsContact CZ-OE1 3.27Å; F431-E464 WeakPolarHBondContact CZ-OE1 3.39Å |
| 432 | Y | 98.6 | Very high | 97.5 | Very high | 39 Ų | 39 | 29.6 Ų | 29.6 | 15% | 0.153 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | -24.2 | 167.6 | -74.3 | -86.8 | 0 | 0 | 0 | 112.3 | Q421 H450 P453 V482 R483 L486 | Q421-Y432 PolarHBondContact O-N 3.13Å; Y432-H450 PolarHBondContact O-N 3.06Å; Y432-P453 HydrophobicContact CD1-CB 4.13Å; Y432-P453 HydrophobicContact CD1-CG 4.48Å; Y432-P453 HydrophobicContact CD2-CB 4.1Å; Y432-P453 HydrophobicContact CE1-CB 4.08Å; Y432-P453 HydrophobicContact CE1-CG 3.93Å; Y432-P453 HydrophobicContact CE2-CB 4.03Å; Y432-P453 HydrophobicContact CE2-CG 4.11Å; Y432-P453 HydrophobicContact CG-CB 4.15Å; Y432-V482 HydrophobicContact CE2-CG1 4.27Å; Y432-R483 VanDerWaalsContact OH-CG 3.22Å; Y432-R483 WeakPolarHBondContact OH-CG 3.04Å; Y432-L486 HydrophobicContact CD2-CD2 3.78Å; Y432-L486 HydrophobicContact CE2-CD2 3.48Å; Y432-L486 VanDerWaalsContact CE2-CD2 3.48Å |
| 433 | V | 98.4 | Very high | 97.4 | Very high | 3 Ų | 3 | 31.4 Ų | 31.4 | 2% | 0.018 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 139 | 173.4 | 178.6 | 0 | 0 | 0 | 0 | 107.7 | A414 Q421 E447 L448 Q449 | A414-V433 HydrophobicContact CB-CG1 3.66Å; Q421-V433 HydrophobicContact CB-CB 4.37Å; Q421-V433 HydrophobicContact CB-CG2 4.31Å; Q421-V433 HydrophobicContact CG-CG2 4.45Å; V433-E447 HydrophobicContact CG1-CG 3.92Å; V433-L448 WeakPolarHBondContact CA-O 3.38Å; V433-Q449 HydrophobicContact CG2-CG 4.26Å |
| 434 | T | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 146.3 | 174.2 | 53.2 | 0 | 0 | 0 | 0 | 110 | W323 W337 F431 E447 L448 H450 L454 | W323-T434 HydrophobicContact CH2-CG2 4.43Å; W323-T434 HydrophobicContact CZ3-CG2 4.06Å; W337-T434 HydrophobicContact CH2-CG2 3.88Å; W337-T434 HydrophobicContact CZ2-CG2 3.63Å; F431-T434 HydrophobicContact CB-CG2 3.65Å; F431-T434 HydrophobicContact CD1-CG2 4.05Å; F431-T434 HydrophobicContact CG-CG2 3.99Å; T434-E447 CarbonylContact O-C 3.55Å; T434-E447 VanDerWaalsContact O-CA 3.31Å; T434-E447 WeakPolarHBondContact O-CA 3.43Å; T434-L448 PolarHBondContact N-O 3.07Å; T434-L448 PolarHBondContact O-N 3.04Å; T434-H450 PolarHBondContact OG1-NE2 3.23Å; T434-L454 HydrophobicContact CG2-CD1 4.03Å |
| 435 | G | 98 | Very high | 97.3 | Very high | 4 Ų | 4 | 35.3 Ų | 35.3 | 4% | 0.041 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -165.5 | 167.2 | 166.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | Q324 W337 | Q324-G435 VanDerWaalsContact CD-C 3.45Å; Q324-G435 VanDerWaalsContact OE1-C 3.27Å; Q324-G435 PolarHBondContact OE1-O 3.01Å; W337-G435 PolarHBondContact NE1-O 2.72Å |
| 436 | G | 97.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 134 | -179.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | S330 I444 G445 | S330-G436 CarbonylContact O-C 3.6Å; S330-G436 WeakPolarHBondContact O-CA 3.18Å; G436-I444 WeakPolarHBondContact O-CG2 3.06Å; G436-G445 PolarHBondContact N-O 3.49Å; G436-G445 PolarHBondContact O-N 2.72Å |
| 437 | A | 97.9 | Very high | 97.3 | Very high | 6 Ų | 6 | 38.6 Ų | 38.6 | 5% | 0.05 | 21% | 0.206 | C | C | . | . | B | Isolated β-bridge | trans | -63.8 | 168.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | G329 S330 K333 Q334 T335 A413 A439 | G329-A437 CarbonylContact C-O 3.29Å; G329-A437 WeakPolarHBondContact CA-O 3.39Å; S330-A437 PolarHBondContact N-O 2.96Å; S330-A437 PolarHBondContact O-N 3.42Å; K333-A437 WeakPolarHBondContact O-CB 3.35Å; Q334-A437 HydrophobicContact CB-CB 4.11Å; T335-A437 HydrophobicContact CG2-CB 3.74Å; A413-A437 HydrophobicContact CB-CB 4.18Å; A437-A439 PolarHBondContact O-N 3.12Å |
| 438 | R | 97.3 | Very high | 97.4 | Very high | 108 Ų | 108 | 36.8 Ų | 36.8 | 41% | 0.408 | 20% | 0.203 | S | C | . | . | P | Polyproline II helix | trans | -61.1 | 127.3 | 174.6 | -168.9 | -178.1 | -62.9 | -83 | 7.9 | 110.3 | E308 G442 S443 I444 | E308-R438 HydrophobicContact CG-CB 4.39Å; E308-R438 HydrophobicContact CG-CG 4.21Å; E308-R438 WeakPolarHBondContact OE1-CD 3.41Å; E308-R438 IonicContact OE1-NE 3.79Å; R438-G442 PolarHBondContact NH1-O 3.07Å; R438-S443 CarbonylContact C-O 3.34Å; R438-S443 WeakPolarHBondContact CA-O 3.23Å; R438-I444 HydrophobicContact CB-CG1 4.15Å; R438-I444 HydrophobicContact CG-CG1 4.21Å |
| 439 | A | 96.6 | Very high | 97.4 | Very high | 15 Ų | 15 | 43.1 Ų | 43.1 | 12% | 0.124 | 23% | 0.233 | C | C | . | . | P | Polyproline II helix | trans | -90.6 | 169.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | A437 D441 G442 S443 | A437-A439 PolarHBondContact O-N 3.12Å; A439-D441 WeakPolarHBondContact CB-OD1 3.29Å; A439-D441 PolarHBondContact O-N 3.17Å; A439-G442 WeakPolarHBondContact O-CA 3.1Å; A439-G442 PolarHBondContact O-N 3.29Å; A439-S443 PolarHBondContact N-O 2.87Å |
| 440 | C | 94.6 | Very high | 97.3 | Very high | 63 Ų | 63 | 44.4 Ų | 44.4 | 43% | 0.426 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -34.8 | 177.9 | 170.7 | 0 | 0 | 0 | 0 | 113.8 | A307 C310 G442 | A307-C440 PolarHBondContact O-N 2.89Å; C310-C440 VanDerWaalsContact CA-SG 3.53Å; C310-C440 HydrophobicContact CB-CB 3.89Å; C310-C440 WeakPolarHBondContact CB-SG 3.29Å; C310-C440 VanDerWaalsContact SG-CA 3.52Å; C310-C440 WeakPolarHBondContact SG-CB 3.33Å; C310-C440 CovalentContact SG-SG 2.02Å; C310-C440 PolarHBondContact SG-SG 3.4Å; C440-G442 PolarHBondContact O-N 2.86Å |
| 441 | D | 94.3 | Very high | 97.2 | Very high | 126 Ų | 126 | 53.9 Ų | 53.9 | 67% | 0.674 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | 5 | 177.1 | 67.2 | -2.5 | 0 | 0 | 0 | 113.4 | A439 S443 | A439-D441 WeakPolarHBondContact CB-OD1 3.29Å; A439-D441 PolarHBondContact O-N 3.17Å; D441-S443 PolarHBondContact O-N 2.96Å; D441-S443 WeakPolarHBondContact OD1-CB 3.03Å; D441-S443 PolarHBondContact OD1-N 3.41Å; D441-S443 PolarHBondContact OD1-OG 2.73Å |
| 442 | G | 94.1 | Very high | 97.1 | Very high | 35 Ų | 35 | 56.3 Ų | 56.3 | 36% | 0.361 | 29% | 0.293 | S | S | . | . | S | Bend | trans | 80.2 | -5.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | R438 A439 C440 | R438-G442 PolarHBondContact NH1-O 3.07Å; A439-G442 WeakPolarHBondContact O-CA 3.1Å; A439-G442 PolarHBondContact O-N 3.29Å; C440-G442 PolarHBondContact O-N 2.86Å |
| 443 | S | 96.4 | Very high | 97.1 | Very high | 38 Ų | 38 | 54.5 Ų | 54.5 | 27% | 0.266 | 29% | 0.286 | S | S | . | . | trans | -66.2 | 147.2 | 178.3 | 71.2 | 0 | 0 | 0 | 0 | 111.3 | G329 R438 A439 D441 | G329-S443 PolarHBondContact N-OG 3.33Å; G329-S443 VanDerWaalsContact N-OG 3.13Å; R438-S443 CarbonylContact C-O 3.34Å; R438-S443 WeakPolarHBondContact CA-O 3.23Å; A439-S443 PolarHBondContact N-O 2.87Å; D441-S443 PolarHBondContact O-N 2.96Å; D441-S443 WeakPolarHBondContact OD1-CB 3.03Å; D441-S443 PolarHBondContact OD1-N 3.41Å; D441-S443 PolarHBondContact OD1-OG 2.73Å | ||
| 444 | I | 97.4 | Very high | 97.1 | Very high | 94 Ų | 94 | 55 Ų | 55 | 48% | 0.482 | 29% | 0.289 | S | S | . | . | trans | -123.4 | 136.6 | 174.8 | -59.1 | 177.4 | 0 | 0 | 0 | 107 | G436 R438 | G436-I444 WeakPolarHBondContact O-CG2 3.06Å; R438-I444 HydrophobicContact CB-CG1 4.15Å; R438-I444 HydrophobicContact CG-CG1 4.21Å | ||
| 445 | G | 97.1 | Very high | 97.1 | Very high | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.01 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 128 | 176.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | Q324 G328 G436 E447 | Q324-G445 VanDerWaalsContact NE2-CA 3.33Å; G328-G445 VanDerWaalsContact C-CA 3.48Å; G328-G445 WeakPolarHBondContact O-CA 3.4Å; G328-G445 PolarHBondContact O-N 3.28Å; G436-G445 PolarHBondContact N-O 3.49Å; G436-G445 PolarHBondContact O-N 2.72Å; G445-E447 PolarHBondContact O-N 3.25Å |
| 446 | P | 97.3 | Very high | 97.1 | Very high | 60 Ų | 60 | 54.9 Ų | 54.9 | 39% | 0.39 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 140.7 | -175.9 | 27 | -34.5 | 0 | 0 | 0 | 110.8 | R327 L448 | R327-P446 WeakPolarHBondContact O-CD 3.37Å; P446-L448 PolarHBondContact O-N 3.5Å |
| 447 | E | 97.9 | Very high | 97.2 | Very high | 97 Ų | 97 | 55.2 Ų | 55.2 | 45% | 0.453 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 128.8 | 166.3 | 179.1 | 175.6 | 123.5 | 0 | 0 | 109.5 | A414 G415 V433 T434 G445 | A414-E447 WeakPolarHBondContact CA-OE2 3.49Å; A414-E447 HydrophobicContact CB-CB 4.36Å; A414-E447 HydrophobicContact CB-CG 4.01Å; G415-E447 PolarHBondContact N-OE2 3Å; V433-E447 HydrophobicContact CG1-CG 3.92Å; T434-E447 CarbonylContact O-C 3.55Å; T434-E447 VanDerWaalsContact O-CA 3.31Å; T434-E447 WeakPolarHBondContact O-CA 3.43Å; G445-E447 PolarHBondContact O-N 3.25Å |
| 448 | L | 98.1 | Very high | 97.2 | Very high | 65 Ų | 65 | 55.2 Ų | 55.2 | 34% | 0.34 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 124.3 | 176.5 | -57.9 | 171.3 | 0 | 0 | 0 | 109.2 | W323 V433 T434 P446 H450 | W323-L448 HydrophobicContact CH2-CD1 3.8Å; W323-L448 HydrophobicContact CZ3-CD1 4.47Å; V433-L448 WeakPolarHBondContact CA-O 3.38Å; T434-L448 PolarHBondContact N-O 3.07Å; T434-L448 PolarHBondContact O-N 3.04Å; P446-L448 PolarHBondContact O-N 3.5Å; L448-H450 PolarHBondContact O-CD2 3.44Å; L448-H450 PolarHBondContact O-NE2 2.81Å |
| 449 | Q | 98 | Very high | 97.1 | Very high | 151 Ų | 151 | 56.1 Ų | 56.1 | 71% | 0.706 | 30% | 0.297 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 137.3 | 173.8 | -59.7 | -172 | 8 | 0 | 0 | 110.7 | V433 | V433-Q449 HydrophobicContact CG2-CG 4.26Å |
| 450 | H | 97.8 | Very high | 97.1 | Very high | 27 Ų | 27 | 61.7 Ų | 61.7 | 13% | 0.125 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 112.9 | -174.7 | -57.9 | -74.8 | 0 | 0 | 0 | 110.9 | Y432 T434 L448 L452 | Y432-H450 PolarHBondContact O-N 3.06Å; T434-H450 PolarHBondContact OG1-NE2 3.23Å; L448-H450 PolarHBondContact O-CD2 3.44Å; L448-H450 PolarHBondContact O-NE2 2.81Å; H450-L452 WeakPolarHBondContact CB-O 3.35Å; H450-L452 PolarHBondContact O-N 3.4Å |
| 451 | K | 95.6 | Very high | 97.2 | Very high | 200 Ų | 200 | 60.1 Ų | 60.1 | 87% | 0.87 | 31% | 0.312 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -56.2 | -38.5 | 174.1 | -178.6 | 179.2 | 179.6 | 179.2 | 0 | 112.4 | ||
| 452 | L | 97.3 | Very high | 97.3 | Very high | 51 Ų | 51 | 57.8 Ų | 57.8 | 27% | 0.267 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 129.4 | 168.6 | -65.6 | -177.2 | 0 | 0 | 0 | 107.3 | H450 R470 Y475 L479 | H450-L452 WeakPolarHBondContact CB-O 3.35Å; H450-L452 PolarHBondContact O-N 3.4Å; L452-R470 PolarHBondContact O-NH2 3.33Å; L452-Y475 WeakPolarHBondContact CB-OH 3.48Å; L452-L479 HydrophobicContact CD2-CD2 4.16Å |
| 453 | P | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63 | 148.8 | -170.7 | 28.4 | -35.3 | 0 | 0 | 0 | 110.9 | A430 F431 Y432 I455 Y475 L479 | A430-P453 HydrophobicContact CB-CB 4.25Å; F431-P453 CarbonylContact O-C 3.52Å; F431-P453 WeakPolarHBondContact O-CA 3.46Å; F431-P453 VanDerWaalsContact O-CB 3.29Å; F431-P453 WeakPolarHBondContact O-CB 3.16Å; Y432-P453 HydrophobicContact CD1-CB 4.13Å; Y432-P453 HydrophobicContact CD1-CG 4.48Å; Y432-P453 HydrophobicContact CD2-CB 4.1Å; Y432-P453 HydrophobicContact CE1-CB 4.08Å; Y432-P453 HydrophobicContact CE1-CG 3.93Å; Y432-P453 HydrophobicContact CE2-CB 4.03Å; Y432-P453 HydrophobicContact CE2-CG 4.11Å; Y432-P453 HydrophobicContact CG-CB 4.15Å; P453-I455 HydrophobicContact CG-CD1 4.38Å; P453-I455 HydrophobicContact CG-CG1 4.23Å; P453-Y475 WeakPolarHBondContact O-CE2 3.25Å; P453-Y475 PolarHBondContact O-OH 2.9Å; P453-L479 HydrophobicContact CG-CD1 3.62Å |
| 454 | L | 98.7 | Very high | 97.6 | Very high | 15 Ų | 15 | 55.3 Ų | 55.3 | 8% | 0.079 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 132.7 | 160.1 | -56.9 | -177.2 | 0 | 0 | 0 | 107.3 | W323 A430 F431 T434 F456 P467 | W323-L454 HydrophobicContact CD2-CD1 4.2Å; W323-L454 HydrophobicContact CE3-CD1 4.45Å; W323-L454 HydrophobicContact CH2-CD1 3.66Å; W323-L454 HydrophobicContact CZ2-CD1 3.33Å; W323-L454 HydrophobicContact CZ3-CD1 4.21Å; A430-L454 CarbonylContact C-O 3.59Å; A430-L454 WeakPolarHBondContact CA-O 3.41Å; F431-L454 HydrophobicContact CB-CB 4.46Å; F431-L454 PolarHBondContact N-O 2.82Å; F431-L454 PolarHBondContact O-N 3.38Å; T434-L454 HydrophobicContact CG2-CD1 4.03Å; L454-F456 HydrophobicContact CB-CE2 3.92Å; L454-F456 HydrophobicContact CB-CZ 4.49Å; L454-P467 HydrophobicContact CB-CB 4.17Å; L454-P467 HydrophobicContact CD2-CB 4.4Å; L454-P467 HydrophobicContact CD2-CG 4.34Å |
| 455 | I | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 126 | 178.1 | -57.3 | 179.3 | 0 | 0 | 0 | 107.5 | Y428 K429 A430 P453 P467 L468 Y475 V478 L479 | Y428-I455 HydrophobicContact CD1-CG2 4.13Å; Y428-I455 HydrophobicContact CG-CG2 4.49Å; K429-I455 CarbonylContact O-C 3.52Å; K429-I455 WeakPolarHBondContact O-CA 3.37Å; A430-I455 HydrophobicContact CB-CG1 3.96Å; P453-I455 HydrophobicContact CG-CD1 4.38Å; P453-I455 HydrophobicContact CG-CG1 4.23Å; I455-P467 CarbonylContact O-C 3.51Å; I455-P467 VanDerWaalsContact O-CA 3.32Å; I455-P467 WeakPolarHBondContact O-CA 3.43Å; I455-L468 HydrophobicContact CB-CD1 4.32Å; I455-L468 HydrophobicContact CG2-CD1 3.87Å; I455-L468 WeakPolarHBondContact O-CB 3.3Å; I455-L468 WeakPolarHBondContact O-CG 2.97Å; I455-L468 PolarHBondContact O-N 3.08Å; I455-Y475 HydrophobicContact CB-CD2 4.12Å; I455-Y475 HydrophobicContact CB-CE2 4.05Å; I455-Y475 HydrophobicContact CD1-CD2 3.83Å; I455-Y475 HydrophobicContact CD1-CE2 3.55Å; I455-Y475 HydrophobicContact CG1-CD2 4.11Å; I455-Y475 HydrophobicContact CG1-CE2 3.64Å; I455-V478 HydrophobicContact CD1-CG1 4.27Å; I455-V478 HydrophobicContact CG2-CG1 4.21Å; I455-L479 HydrophobicContact CD1-CB 4.36Å; I455-L479 HydrophobicContact CD1-CD1 4.46Å |
| 456 | F | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 144.4 | 174.8 | -60.5 | -95.1 | 0 | 0 | 0 | 109.2 | W323 W337 Y428 K429 F431 L454 L458 E464 P467 | W323-F456 HydrophobicContact CB-CE1 4.11Å; W323-F456 HydrophobicContact CB-CZ 4.01Å; W323-F456 HydrophobicContact CG-CE1 4.37Å; W323-F456 AromaticContact CG-CZ 3.98Å; W323-F456 HydrophobicContact CG-CZ 3.98Å; W337-F456 HydrophobicContact CH2-CE2 4.22Å; W337-F456 HydrophobicContact CH2-CZ 4.19Å; W337-F456 AromaticContact CZ3-CE2 3.9Å; W337-F456 HydrophobicContact CZ3-CE2 3.9Å; W337-F456 AromaticContact CZ3-CZ 3.94Å; W337-F456 HydrophobicContact CZ3-CZ 3.94Å; Y428-F456 CarbonylContact C-O 3.58Å; Y428-F456 VanDerWaalsContact CA-O 3.29Å; Y428-F456 WeakPolarHBondContact CA-O 3.44Å; K429-F456 PolarHBondContact N-O 3.48Å; K429-F456 PolarHBondContact O-N 2.75Å; F431-F456 AromaticContact CD2-CD2 3.82Å; F431-F456 HydrophobicContact CD2-CD2 3.82Å; F431-F456 AromaticContact CD2-CE2 3.74Å; F431-F456 HydrophobicContact CD2-CE2 3.74Å; F431-F456 AromaticContact CE2-CD2 3.73Å; F431-F456 HydrophobicContact CE2-CD2 3.73Å; F431-F456 AromaticContact CE2-CE2 3.85Å; F431-F456 HydrophobicContact CE2-CE2 3.85Å; L454-F456 HydrophobicContact CB-CE2 3.92Å; L454-F456 HydrophobicContact CB-CZ 4.49Å; F456-L458 HydrophobicContact CB-CD2 4.06Å; F456-E464 HydrophobicContact CD1-CB 4.1Å; F456-E464 HydrophobicContact CE1-CB 4.23Å; F456-E464 WeakPolarHBondContact CE1-O 3.33Å; F456-E464 HydrophobicContact CG-CB 4.35Å; F456-P467 HydrophobicContact CD1-CB 4.3Å; F456-P467 HydrophobicContact CE1-CB 3.95Å; F456-P467 HydrophobicContact CE1-CG 4.36Å; F456-P467 HydrophobicContact CE2-CB 4.33Å; F456-P467 HydrophobicContact CZ-CB 3.96Å; F456-P467 HydrophobicContact CZ-CG 4.39Å |
| 457 | N | 98.4 | Very high | 97.7 | Very high | 7 Ų | 7 | 54.9 Ų | 54.9 | 4% | 0.037 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 104.8 | 169 | -179.9 | -9.6 | 0 | 0 | 0 | 108.2 | Y428 E459 D460 D461 L468 E474 | Y428-N457 HydrophobicContact CD1-CB 4.09Å; Y428-N457 HydrophobicContact CE1-CB 3.87Å; N457-E459 PolarHBondContact O-N 2.65Å; N457-E459 WeakPolarHBondContact OD1-CB 3.31Å; N457-E459 PolarHBondContact OD1-N 2.99Å; N457-D460 PolarHBondContact ND2-OD2 2.89Å; N457-D460 PolarHBondContact O-N 2.8Å; N457-D461 PolarHBondContact O-N 2.91Å; N457-L468 HydrophobicContact CB-CD2 4.37Å; N457-E474 PolarHBondContact ND2-OE1 3.13Å |
| 458 | L | 97.8 | Very high | 97.7 | Very high | 6 Ų | 6 | 51.8 Ų | 51.8 | 3% | 0.031 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -6.9 | -175.2 | -51.9 | -170.3 | 0 | 0 | 0 | 113.6 | E338 R424 R427 K429 F456 D461 I462 E464 | E338-L458 VanDerWaalsContact CD-CD1 3.44Å; E338-L458 HydrophobicContact CG-CD1 3.83Å; E338-L458 WeakPolarHBondContact OE2-CD1 3.18Å; R424-L458 VanDerWaalsContact NH1-CB 3.32Å; R427-L458 PolarHBondContact O-N 3.24Å; K429-L458 HydrophobicContact CB-CD1 4.09Å; K429-L458 HydrophobicContact CB-CD2 4.34Å; K429-L458 HydrophobicContact CB-CG 4.15Å; K429-L458 HydrophobicContact CD-CD1 4.01Å; F456-L458 HydrophobicContact CB-CD2 4.06Å; L458-D461 WeakPolarHBondContact CD2-O 3.44Å; L458-I462 WeakPolarHBondContact O-CG2 3.49Å; L458-E464 HydrophobicContact CD2-CG 3.68Å |
| 459 | E | 95.6 | Very high | 97.7 | Very high | 127 Ų | 127 | 55.8 Ų | 55.8 | 59% | 0.593 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -37.7 | 170.2 | -169.3 | 173.6 | 178.5 | 0 | 0 | 110.4 | R427 N457 | R427-E459 HydrophobicContact CB-CB 4.17Å; R427-E459 WeakPolarHBondContact CD-OE2 3.46Å; R427-E459 IonicContact CZ-OE2 3.7Å; R427-E459 IonicContact NE-OE2 3.61Å; R427-E459 IonicContact NH1-OE2 2.72Å; R427-E459 PolarHBondContact NH1-OE2 2.96Å; N457-E459 PolarHBondContact O-N 2.65Å; N457-E459 WeakPolarHBondContact OD1-CB 3.31Å; N457-E459 PolarHBondContact OD1-N 2.99Å |
| 460 | D | 95.9 | Very high | 97.6 | Very high | 132 Ų | 132 | 54 Ų | 54 | 71% | 0.706 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.8 | -28.2 | -179.7 | -58 | -42.4 | 0 | 0 | 0 | 112.7 | N457 | N457-D460 PolarHBondContact ND2-OD2 2.89Å; N457-D460 PolarHBondContact O-N 2.8Å |
| 461 | D | 97.4 | Very high | 97.5 | Very high | 30 Ų | 30 | 56.2 Ų | 56.2 | 16% | 0.16 | 30% | 0.3 | C | S | . | . | trans | -137.7 | 74.8 | -173.3 | -178.1 | 17.5 | 0 | 0 | 0 | 111.8 | N457 L458 A463 E464 A465 V466 | N457-D461 PolarHBondContact O-N 2.91Å; L458-D461 WeakPolarHBondContact CD2-O 3.44Å; D461-A463 PolarHBondContact O-N 3.21Å; D461-A463 PolarHBondContact OD1-N 2.88Å; D461-E464 PolarHBondContact O-N 3.03Å; D461-E464 PolarHBondContact OD1-N 3.42Å; D461-A465 VanDerWaalsContact CG-N 3.32Å; D461-A465 PolarHBondContact OD1-N 3.33Å; D461-A465 VanDerWaalsContact OD1-N 3.13Å; D461-A465 WeakPolarHBondContact OD2-CA 2.93Å; D461-A465 PolarHBondContact OD2-N 3.14Å; D461-V466 PolarHBondContact OD2-N 3.04Å | ||
| 462 | I | 96.4 | Very high | 97.6 | Very high | 78 Ų | 78 | 48 Ų | 48 | 40% | 0.4 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -19.1 | 174.6 | 60.7 | 171.2 | 0 | 0 | 0 | 113.4 | A318 F319 L458 E464 | A318-I462 HydrophobicContact CB-CD1 3.62Å; F319-I462 HydrophobicContact CD1-CB 4.37Å; F319-I462 WeakPolarHBondContact CD1-O 3.31Å; F319-I462 HydrophobicContact CE1-CB 3.96Å; F319-I462 HydrophobicContact CE1-CG2 4.44Å; L458-I462 WeakPolarHBondContact O-CG2 3.49Å; I462-E464 VanDerWaalsContact C-N 3.32Å |
| 463 | A | 97.5 | Very high | 97.6 | Very high | 20 Ų | 20 | 49.8 Ų | 49.8 | 17% | 0.165 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -2.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | G321 V322 D461 A465 | G321-A463 CarbonylContact C-O 3.56Å; G321-A463 VanDerWaalsContact CA-O 3.25Å; G321-A463 WeakPolarHBondContact CA-O 3.35Å; G321-A463 PolarHBondContact N-O 2.87Å; G321-A463 VanDerWaalsContact N-O 3.14Å; V322-A463 HydrophobicContact CG2-CB 4.05Å; V322-A463 PolarHBondContact N-O 2.75Å; D461-A463 PolarHBondContact O-N 3.21Å; D461-A463 PolarHBondContact OD1-N 2.88Å; A463-A465 VanDerWaalsContact C-N 3.25Å; A463-A465 PolarHBondContact O-N 2.71Å |
| 464 | E | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 31% | 0.31 | C | S | . | . | trans | 51.7 | 47 | -177 | -56.6 | 170.4 | 112.3 | 0 | 0 | 111 | W323 W337 E338 K429 F431 F456 L458 D461 I462 | W323-E464 WeakPolarHBondContact CB-O 3.43Å; W323-E464 PolarHBondContact N-O 3.13Å; W337-E464 HydrophobicContact CE3-CB 3.98Å; W337-E464 HydrophobicContact CE3-CG 4.37Å; W337-E464 HydrophobicContact CZ3-CB 3.97Å; E338-E464 WeakPolarHBondContact CB-OE2 3.21Å; E338-E464 VanDerWaalsContact CG-CD 3.48Å; E338-E464 HydrophobicContact CG-CG 4.12Å; E338-E464 WeakPolarHBondContact CG-OE2 3.13Å; E338-E464 PolarHBondContact N-OE2 3.43Å; K429-E464 WeakPolarHBondContact CD-OE1 3.33Å; K429-E464 WeakPolarHBondContact CE-OE1 3.21Å; K429-E464 IonicContact NZ-OE1 3.66Å; K429-E464 PolarHBondContact NZ-OE1 3.18Å; K429-E464 IonicContact NZ-OE2 3.58Å; F431-E464 VanDerWaalsContact CZ-OE1 3.27Å; F431-E464 WeakPolarHBondContact CZ-OE1 3.39Å; F456-E464 HydrophobicContact CD1-CB 4.1Å; F456-E464 HydrophobicContact CE1-CB 4.23Å; F456-E464 WeakPolarHBondContact CE1-O 3.33Å; F456-E464 HydrophobicContact CG-CB 4.35Å; L458-E464 HydrophobicContact CD2-CG 3.68Å; D461-E464 PolarHBondContact O-N 3.03Å; D461-E464 PolarHBondContact OD1-N 3.42Å; I462-E464 VanDerWaalsContact C-N 3.32Å | ||
| 465 | A | 98.3 | Very high | 97.6 | Very high | 22 Ų | 22 | 52.6 Ų | 52.6 | 18% | 0.182 | 31% | 0.307 | C | S | . | . | trans | -84.7 | -42.9 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113 | V322 D461 A463 | V322-A465 HydrophobicContact CB-CB 3.79Å; V322-A465 HydrophobicContact CG1-CB 3.97Å; V322-A465 HydrophobicContact CG2-CB 4.43Å; D461-A465 VanDerWaalsContact CG-N 3.32Å; D461-A465 PolarHBondContact OD1-N 3.33Å; D461-A465 VanDerWaalsContact OD1-N 3.13Å; D461-A465 WeakPolarHBondContact OD2-CA 2.93Å; D461-A465 PolarHBondContact OD2-N 3.14Å; A463-A465 VanDerWaalsContact C-N 3.25Å; A463-A465 PolarHBondContact O-N 2.71Å | ||
| 466 | V | 98.1 | Very high | 97.6 | Very high | 95 Ų | 95 | 57.7 Ų | 57.7 | 58% | 0.576 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -133.5 | 113.1 | -171.6 | -173.8 | 0 | 0 | 0 | 0 | 110.1 | D461 | D461-V466 PolarHBondContact OD2-N 3.04Š|
| 467 | P | 98.3 | Very high | 97.6 | Very high | 30 Ų | 30 | 60.3 Ų | 60.3 | 20% | 0.195 | 35% | 0.352 | C | S | . | . | P | Polyproline II helix | trans | -70.4 | 151.7 | 174 | 30.8 | -34.6 | 0 | 0 | 0 | 110.3 | L454 I455 F456 | L454-P467 HydrophobicContact CB-CB 4.17Å; L454-P467 HydrophobicContact CD2-CB 4.4Å; L454-P467 HydrophobicContact CD2-CG 4.34Å; I455-P467 CarbonylContact O-C 3.51Å; I455-P467 VanDerWaalsContact O-CA 3.32Å; I455-P467 WeakPolarHBondContact O-CA 3.43Å; F456-P467 HydrophobicContact CD1-CB 4.3Å; F456-P467 HydrophobicContact CE1-CB 3.95Å; F456-P467 HydrophobicContact CE1-CG 4.36Å; F456-P467 HydrophobicContact CE2-CB 4.33Å; F456-P467 HydrophobicContact CZ-CB 3.96Å; F456-P467 HydrophobicContact CZ-CG 4.39Å |
| 468 | L | 98.6 | Very high | 97.6 | Very high | 32 Ų | 32 | 60.3 Ų | 60.3 | 17% | 0.168 | 35% | 0.352 | C | S | . | . | P | Polyproline II helix | trans | -54.9 | 139.4 | 172.3 | -63.2 | -177.7 | 0 | 0 | 0 | 111.3 | Y428 I455 N457 R470 E474 Y475 | Y428-L468 HydrophobicContact CD1-CD1 4.13Å; Y428-L468 HydrophobicContact CE1-CD1 4.05Å; I455-L468 HydrophobicContact CB-CD1 4.32Å; I455-L468 HydrophobicContact CG2-CD1 3.87Å; I455-L468 WeakPolarHBondContact O-CB 3.3Å; I455-L468 WeakPolarHBondContact O-CG 2.97Å; I455-L468 PolarHBondContact O-N 3.08Å; N457-L468 HydrophobicContact CB-CD2 4.37Å; L468-R470 PolarHBondContact O-N 3.13Å; L468-E474 HydrophobicContact CD1-CB 4.44Å; L468-E474 HydrophobicContact CD1-CG 3.87Å; L468-E474 WeakPolarHBondContact CD2-OE2 3.49Å; L468-Y475 HydrophobicContact CB-CD2 4.03Å |
| 469 | E | 97.8 | Very high | 97.6 | Very high | 148 Ų | 148 | 60.5 Ų | 60.5 | 69% | 0.692 | 35% | 0.353 | S | S | * | . | P | Polyproline II helix | trans | -62.6 | 123.4 | 174.9 | -73 | -62.9 | 151.8 | 0 | 0 | 110.8 | G471 G472 Y475 | E469-G471 PolarHBondContact O-N 3.32Å; E469-G471 VanDerWaalsContact O-N 3.13Å; E469-G472 WeakPolarHBondContact O-CA 3.5Å; E469-G472 PolarHBondContact O-N 3.04Å; E469-Y475 WeakPolarHBondContact O-CB 3.33Å |
| 470 | R | 95.1 | Very high | 97.7 | Very high | 115 Ų | 115 | 58 Ų | 58 | 43% | 0.434 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -31.5 | -174.1 | -69.5 | 179.6 | 174.1 | 166.1 | -0.6 | 113.6 | L452 L468 G472 Y475 Q476 | L452-R470 PolarHBondContact O-NH2 3.33Å; L468-R470 PolarHBondContact O-N 3.13Å; R470-G472 VanDerWaalsContact C-N 3.34Å; R470-Y475 HydrophobicContact CB-CD1 4.31Å; R470-Y475 HydrophobicContact CB-CE1 4.17Å; R470-Y475 HydrophobicContact CG-CE1 4.16Å; R470-Y475 HydrophobicContact CG-CE2 4.14Å; R470-Y475 WeakPolarHBondContact O-CD1 3.06Å; R470-Q476 PolarHBondContact O-NE2 3.14Å |
| 471 | G | 95.4 | Very high | 97.9 | Very high | 73 Ų | 73 | 57.6 Ų | 57.6 | 75% | 0.753 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -8.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | E469 | E469-G471 PolarHBondContact O-N 3.32Å; E469-G471 VanDerWaalsContact O-N 3.13Å |
| 472 | G | 97.6 | Very high | 97.9 | Very high | 26 Ų | 26 | 56.1 Ų | 56.1 | 27% | 0.268 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -71 | 149 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | E469 R470 E474 Y475 Q476 | E469-G472 WeakPolarHBondContact O-CA 3.5Å; E469-G472 PolarHBondContact O-N 3.04Å; R470-G472 VanDerWaalsContact C-N 3.34Å; G472-E474 VanDerWaalsContact C-N 3.26Å; G472-E474 PolarHBondContact O-N 3.14Å; G472-Y475 PolarHBondContact O-N 2.86Å; G472-Q476 WeakPolarHBondContact O-CG 3.42Å; G472-Q476 PolarHBondContact O-N 3.02Å; G472-Q476 VanDerWaalsContact O-N 3.09Å |
| 473 | A | 98.3 | Very high | 98 | Very high | 90 Ų | 90 | 58 Ų | 58 | 74% | 0.744 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -56.8 | -39.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q476 A477 | A473-Q476 PolarHBondContact O-N 3.13Å; A473-A477 WeakPolarHBondContact O-CB 3.45Å; A473-A477 PolarHBondContact O-N 2.91Å |
| 474 | E | 98.3 | Very high | 98.1 | Very high | 72 Ų | 72 | 63.6 Ų | 63.6 | 34% | 0.336 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -64.1 | -48.5 | 178.4 | -171.6 | 175.2 | -160.4 | 0 | 0 | 112 | Y428 N457 L468 G472 Q476 A477 V478 | Y428-E474 HydrophobicContact CE1-CG 4.05Å; Y428-E474 WeakPolarHBondContact CE1-OE1 3.48Å; Y428-E474 VanDerWaalsContact CZ-OE1 3.25Å; Y428-E474 PolarHBondContact OH-OE1 3.18Å; N457-E474 PolarHBondContact ND2-OE1 3.13Å; L468-E474 HydrophobicContact CD1-CB 4.44Å; L468-E474 HydrophobicContact CD1-CG 3.87Å; L468-E474 WeakPolarHBondContact CD2-OE2 3.49Å; G472-E474 VanDerWaalsContact C-N 3.26Å; G472-E474 PolarHBondContact O-N 3.14Å; E474-Q476 VanDerWaalsContact C-N 3.33Å; E474-Q476 PolarHBondContact O-N 2.93Å; E474-A477 PolarHBondContact O-N 2.89Å; E474-V478 VanDerWaalsContact O-CG2 3.31Å; E474-V478 WeakPolarHBondContact O-CG2 3.39Å; E474-V478 PolarHBondContact O-N 2.88Å |
| 475 | Y | 98.7 | Very high | 98.1 | Very high | 2 Ų | 2 | 65 Ų | 65 | 1% | 0.008 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -58 | -46.7 | 177 | -175.1 | -86.8 | 0 | 0 | 0 | 111.6 | L452 P453 I455 L468 E469 R470 G472 A477 V478 L479 | L452-Y475 WeakPolarHBondContact CB-OH 3.48Å; P453-Y475 WeakPolarHBondContact O-CE2 3.25Å; P453-Y475 PolarHBondContact O-OH 2.9Å; I455-Y475 HydrophobicContact CB-CD2 4.12Å; I455-Y475 HydrophobicContact CB-CE2 4.05Å; I455-Y475 HydrophobicContact CD1-CD2 3.83Å; I455-Y475 HydrophobicContact CD1-CE2 3.55Å; I455-Y475 HydrophobicContact CG1-CD2 4.11Å; I455-Y475 HydrophobicContact CG1-CE2 3.64Å; L468-Y475 HydrophobicContact CB-CD2 4.03Å; E469-Y475 WeakPolarHBondContact O-CB 3.33Å; R470-Y475 HydrophobicContact CB-CD1 4.31Å; R470-Y475 HydrophobicContact CB-CE1 4.17Å; R470-Y475 HydrophobicContact CG-CE1 4.16Å; R470-Y475 HydrophobicContact CG-CE2 4.14Å; R470-Y475 WeakPolarHBondContact O-CD1 3.06Å; G472-Y475 PolarHBondContact O-N 2.86Å; Y475-A477 VanDerWaalsContact C-N 3.29Å; Y475-A477 PolarHBondContact O-N 3.02Å; Y475-V478 PolarHBondContact O-N 2.78Å; Y475-L479 HydrophobicContact CD1-CB 4.46Å; Y475-L479 HydrophobicContact CE1-CB 4.21Å; Y475-L479 HydrophobicContact CE1-CD2 3.83Å; Y475-L479 HydrophobicContact CE1-CG 4.43Å; Y475-L479 WeakPolarHBondContact O-CB 3.4Å; Y475-L479 PolarHBondContact O-N 2.94Å |
| 476 | Q | 98.4 | Very high | 98.1 | Very high | 107 Ų | 107 | 65 Ų | 65 | 50% | 0.5 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -64.4 | -32.9 | -180 | -67.5 | -63.5 | -28.8 | 0 | 0 | 112.5 | R470 G472 A473 E474 P480 | R470-Q476 PolarHBondContact O-NE2 3.14Å; G472-Q476 WeakPolarHBondContact O-CG 3.42Å; G472-Q476 PolarHBondContact O-N 3.02Å; G472-Q476 VanDerWaalsContact O-N 3.09Å; A473-Q476 PolarHBondContact O-N 3.13Å; E474-Q476 VanDerWaalsContact C-N 3.33Å; E474-Q476 PolarHBondContact O-N 2.93Å; Q476-P480 WeakPolarHBondContact O-CD 3.37Å |
| 477 | A | 98.4 | Very high | 98.1 | Very high | 54 Ų | 54 | 63.1 Ų | 63.1 | 45% | 0.446 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -74 | -33.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | A473 E474 Y475 | A473-A477 WeakPolarHBondContact O-CB 3.45Å; A473-A477 PolarHBondContact O-N 2.91Å; E474-A477 PolarHBondContact O-N 2.89Å; Y475-A477 VanDerWaalsContact C-N 3.29Å; Y475-A477 PolarHBondContact O-N 3.02Å |
| 478 | V | 98.4 | Very high | 98.1 | Very high | 7 Ų | 7 | 65.9 Ų | 65.9 | 4% | 0.042 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -88 | -40.2 | -174.5 | 174.9 | 0 | 0 | 0 | 0 | 112.5 | Y428 I455 E474 Y475 K481 V482 | Y428-V478 HydrophobicContact CD1-CG1 4.26Å; Y428-V478 HydrophobicContact CD1-CG2 4.12Å; Y428-V478 HydrophobicContact CD2-CG1 3.93Å; Y428-V478 HydrophobicContact CD2-CG2 3.75Å; Y428-V478 HydrophobicContact CE1-CG2 3.97Å; Y428-V478 HydrophobicContact CE2-CG2 3.58Å; Y428-V478 HydrophobicContact CG-CG1 3.73Å; Y428-V478 HydrophobicContact CG-CG2 4.02Å; I455-V478 HydrophobicContact CD1-CG1 4.27Å; I455-V478 HydrophobicContact CG2-CG1 4.21Å; E474-V478 VanDerWaalsContact O-CG2 3.31Å; E474-V478 WeakPolarHBondContact O-CG2 3.39Å; E474-V478 PolarHBondContact O-N 2.88Å; Y475-V478 PolarHBondContact O-N 2.78Å; V478-K481 WeakPolarHBondContact O-CB 3.41Å; V478-K481 PolarHBondContact O-N 3.2Å; V478-V482 HydrophobicContact CG1-CG2 3.76Å; V478-V482 PolarHBondContact O-N 3.4Å |
| 479 | L | 98.6 | Very high | 98.1 | Very high | 10 Ų | 10 | 65 Ų | 65 | 5% | 0.052 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -48.7 | -49.4 | -177.1 | 177.4 | 64.7 | 0 | 0 | 0 | 114.8 | L452 P453 I455 Y475 K481 V482 R483 | L452-L479 HydrophobicContact CD2-CD2 4.16Å; P453-L479 HydrophobicContact CG-CD1 3.62Å; I455-L479 HydrophobicContact CD1-CB 4.36Å; I455-L479 HydrophobicContact CD1-CD1 4.46Å; Y475-L479 HydrophobicContact CD1-CB 4.46Å; Y475-L479 HydrophobicContact CE1-CB 4.21Å; Y475-L479 HydrophobicContact CE1-CD2 3.83Å; Y475-L479 HydrophobicContact CE1-CG 4.43Å; Y475-L479 WeakPolarHBondContact O-CB 3.4Å; Y475-L479 PolarHBondContact O-N 2.94Å; L479-K481 VanDerWaalsContact C-N 3.26Å; L479-K481 PolarHBondContact O-N 3.26Å; L479-V482 PolarHBondContact O-N 2.92Å; L479-R483 HydrophobicContact CD1-CG 4.25Å; L479-R483 WeakPolarHBondContact O-CG 3.17Å; L479-R483 PolarHBondContact O-N 3.44Å |
| 480 | P | 98.6 | Very high | 98.1 | Very high | 76 Ų | 76 | 61.7 Ų | 61.7 | 49% | 0.494 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -64.5 | -31.6 | -179.8 | 24.5 | -33.9 | 0 | 0 | 0 | 112.5 | Q476 K484 | Q476-P480 WeakPolarHBondContact O-CD 3.37Å; P480-K484 WeakPolarHBondContact O-CB 3.36Å; P480-K484 PolarHBondContact O-N 3.22Å |
| 481 | K | 98.7 | Very high | 98.2 | Very high | 122 Ų | 122 | 61.5 Ų | 61.5 | 53% | 0.53 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -69.3 | -46.3 | 176.4 | -57.3 | 177.6 | -177.6 | 175.6 | 0 | 110.8 | L425 V478 L479 R483 K484 V485 | L425-K481 HydrophobicContact CD2-CB 3.57Å; V478-K481 WeakPolarHBondContact O-CB 3.41Å; V478-K481 PolarHBondContact O-N 3.2Å; L479-K481 VanDerWaalsContact C-N 3.26Å; L479-K481 PolarHBondContact O-N 3.26Å; K481-R483 VanDerWaalsContact C-N 3.34Å; K481-R483 PolarHBondContact O-N 2.81Å; K481-K484 PolarHBondContact O-N 3.42Å; K481-V485 WeakPolarHBondContact O-CG2 3.21Å; K481-V485 PolarHBondContact O-N 3.5Å |
| 482 | V | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -57.1 | -46.9 | 175.3 | 168.8 | 0 | 0 | 0 | 0 | 111.2 | V423 L425 A430 Y432 V478 L479 K484 V485 L486 | V423-V482 HydrophobicContact CB-CG1 4.47Å; L425-V482 HydrophobicContact CB-CG2 4.49Å; L425-V482 HydrophobicContact CD2-CG2 4.06Å; A430-V482 HydrophobicContact CB-CB 4.43Å; A430-V482 HydrophobicContact CB-CG1 3.5Å; A430-V482 VanDerWaalsContact CB-CG1 3.5Å; A430-V482 HydrophobicContact CB-CG2 4.08Å; Y432-V482 HydrophobicContact CE2-CG1 4.27Å; V478-V482 HydrophobicContact CG1-CG2 3.76Å; V478-V482 PolarHBondContact O-N 3.4Å; L479-V482 PolarHBondContact O-N 2.92Å; V482-K484 VanDerWaalsContact C-N 3.33Å; V482-K484 PolarHBondContact O-N 3.08Å; V482-V485 VanDerWaalsContact O-CG2 3.28Å; V482-V485 WeakPolarHBondContact O-CG2 3.15Å; V482-V485 PolarHBondContact O-N 3.38Å; V482-L486 WeakPolarHBondContact O-CB 3.33Å; V482-L486 PolarHBondContact O-N 3.25Å; V482-L486 VanDerWaalsContact O-N 3.08Å |
| 483 | R | 98.4 | Very high | 98.3 | Very high | 117 Ų | 117 | 59.5 Ų | 59.5 | 44% | 0.442 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -59.5 | -44.8 | 176.9 | -78.9 | 175.9 | 169.2 | 176.2 | -5.1 | 112.2 | Y432 L479 K481 A487 | Y432-R483 VanDerWaalsContact OH-CG 3.22Å; Y432-R483 WeakPolarHBondContact OH-CG 3.04Å; L479-R483 HydrophobicContact CD1-CG 4.25Å; L479-R483 WeakPolarHBondContact O-CG 3.17Å; L479-R483 PolarHBondContact O-N 3.44Å; K481-R483 VanDerWaalsContact C-N 3.34Å; K481-R483 PolarHBondContact O-N 2.81Å; R483-A487 WeakPolarHBondContact O-CB 3.24Å; R483-A487 PolarHBondContact O-N 2.97Å |
| 484 | K | 98.6 | Very high | 98.2 | Very high | 137 Ų | 137 | 58.7 Ų | 58.7 | 60% | 0.596 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -62.3 | -52.6 | 179.7 | -176.7 | 177 | -177.1 | -175.7 | 0 | 111.3 | P480 K481 V482 L486 A487 D488 | P480-K484 WeakPolarHBondContact O-CB 3.36Å; P480-K484 PolarHBondContact O-N 3.22Å; K481-K484 PolarHBondContact O-N 3.42Å; V482-K484 VanDerWaalsContact C-N 3.33Å; V482-K484 PolarHBondContact O-N 3.08Å; K484-L486 VanDerWaalsContact C-N 3.27Å; K484-L486 PolarHBondContact O-N 3.41Å; K484-A487 PolarHBondContact O-N 3.3Å; K484-A487 VanDerWaalsContact O-N 3.17Å; K484-D488 WeakPolarHBondContact CG-OD2 3.12Å; K484-D488 WeakPolarHBondContact O-CB 3.33Å; K484-D488 PolarHBondContact O-N 2.94Å |
| 485 | V | 98.4 | Very high | 98.1 | Very high | 31 Ų | 31 | 59.9 Ų | 59.9 | 19% | 0.188 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63.6 | -33.8 | -177.8 | -60.7 | 0 | 0 | 0 | 0 | 112.5 | V405 F407 V423 L425 K481 V482 V489 | V405-V485 HydrophobicContact CG1-CB 4.31Å; V405-V485 HydrophobicContact CG1-CG2 4.2Å; V405-V485 HydrophobicContact CG2-CB 4.37Å; V405-V485 HydrophobicContact CG2-CG1 4.07Å; F407-V485 WeakPolarHBondContact CZ-O 3.2Å; V423-V485 HydrophobicContact CG1-CG2 3.77Å; L425-V485 HydrophobicContact CD1-CG1 4.36Å; K481-V485 WeakPolarHBondContact O-CG2 3.21Å; K481-V485 PolarHBondContact O-N 3.5Å; V482-V485 VanDerWaalsContact O-CG2 3.28Å; V482-V485 WeakPolarHBondContact O-CG2 3.15Å; V482-V485 PolarHBondContact O-N 3.38Å; V485-V489 PolarHBondContact O-N 2.73Å; V485-V489 VanDerWaalsContact O-N 3.08Å |
| 486 | L | 98.3 | Very high | 97.9 | Very high | 20 Ų | 20 | 60.8 Ų | 60.8 | 11% | 0.105 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -67.2 | -45.8 | 174.2 | -178 | 56.8 | 0 | 0 | 0 | 111.9 | F407 L420 V423 Y432 V482 K484 D488 V489 L490 | F407-L486 HydrophobicContact CE1-CD1 4.41Å; L420-L486 HydrophobicContact CB-CD1 4.19Å; L420-L486 WeakPolarHBondContact O-CD1 3.21Å; V423-L486 HydrophobicContact CG2-CB 4.09Å; V423-L486 HydrophobicContact CG2-CD1 4Å; V423-L486 HydrophobicContact CG2-CD2 4.4Å; V423-L486 HydrophobicContact CG2-CG 4.39Å; Y432-L486 HydrophobicContact CD2-CD2 3.78Å; Y432-L486 HydrophobicContact CE2-CD2 3.48Å; Y432-L486 VanDerWaalsContact CE2-CD2 3.48Å; V482-L486 WeakPolarHBondContact O-CB 3.33Å; V482-L486 PolarHBondContact O-N 3.25Å; V482-L486 VanDerWaalsContact O-N 3.08Å; K484-L486 VanDerWaalsContact C-N 3.27Å; K484-L486 PolarHBondContact O-N 3.41Å; L486-D488 VanDerWaalsContact C-N 3.33Å; L486-D488 PolarHBondContact O-N 3.12Å; L486-V489 HydrophobicContact CD1-CG1 4.32Å; L486-V489 WeakPolarHBondContact O-CG1 3.37Å; L486-L490 HydrophobicContact CD1-CD1 4.03Å; L486-L490 HydrophobicContact CD1-CG 4.21Å; L486-L490 HydrophobicContact CG-CD1 4.08Å; L486-L490 VanDerWaalsContact O-CG 3.27Å; L486-L490 WeakPolarHBondContact O-CG 3.31Å; L486-L490 PolarHBondContact O-N 2.04Å; L486-L490 VanDerWaalsContact O-N 3.14Å |
| 487 | A | 98.4 | Very high | 97.7 | Very high | 56 Ų | 56 | 60.1 Ų | 60.1 | 46% | 0.463 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.8 | -42.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | R483 K484 L490 Q491 | R483-A487 WeakPolarHBondContact O-CB 3.24Å; R483-A487 PolarHBondContact O-N 2.97Å; K484-A487 PolarHBondContact O-N 3.3Å; K484-A487 VanDerWaalsContact O-N 3.17Å; A487-L490 PolarHBondContact O-N 3.4Å; A487-Q491 WeakPolarHBondContact O-CB 3.39Å; A487-Q491 PolarHBondContact O-N 2.78Å |
| 488 | D | 98.4 | Very high | 97.5 | Very high | 89 Ų | 89 | 61.9 Ų | 61.9 | 48% | 0.476 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -61.6 | -45.8 | -180 | -69.1 | -13 | 0 | 0 | 0 | 111 | K484 L486 Q491 D492 | K484-D488 WeakPolarHBondContact CG-OD2 3.12Å; K484-D488 WeakPolarHBondContact O-CB 3.33Å; K484-D488 PolarHBondContact O-N 2.94Å; L486-D488 VanDerWaalsContact C-N 3.33Å; L486-D488 PolarHBondContact O-N 3.12Å; D488-Q491 PolarHBondContact O-N 3.38Å; D488-D492 VanDerWaalsContact O-CB 3.27Å; D488-D492 WeakPolarHBondContact O-CB 3.32Å; D488-D492 PolarHBondContact O-N 2.94Å |
| 489 | V | 97.9 | Very high | 97.5 | Very high | 13 Ų | 13 | 62 Ų | 62 | 8% | 0.079 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -68.8 | -37.8 | 179.1 | 74.9 | 0 | 0 | 0 | 0 | 112.7 | F407 L420 V485 L486 Q491 D492 I493 | F407-V489 HydrophobicContact CD1-CG1 3.81Å; F407-V489 HydrophobicContact CD2-CB 4.28Å; F407-V489 HydrophobicContact CD2-CG1 4.2Å; F407-V489 HydrophobicContact CD2-CG2 3.89Å; F407-V489 HydrophobicContact CE1-CB 4.05Å; F407-V489 HydrophobicContact CE1-CG1 3.34Å; F407-V489 HydrophobicContact CE2-CB 3.59Å; F407-V489 HydrophobicContact CE2-CG1 3.77Å; F407-V489 HydrophobicContact CE2-CG2 3.58Å; F407-V489 HydrophobicContact CG-CG1 4.22Å; F407-V489 HydrophobicContact CZ-CB 3.46Å; F407-V489 VanDerWaalsContact CZ-CB 3.46Å; F407-V489 HydrophobicContact CZ-CG1 3.31Å; F407-V489 HydrophobicContact CZ-CG2 4Å; L420-V489 HydrophobicContact CD1-CG1 3.9Å; L420-V489 HydrophobicContact CD1-CG2 4.27Å; V485-V489 PolarHBondContact O-N 2.73Å; V485-V489 VanDerWaalsContact O-N 3.08Å; L486-V489 HydrophobicContact CD1-CG1 4.32Å; L486-V489 WeakPolarHBondContact O-CG1 3.37Å; V489-Q491 VanDerWaalsContact C-N 3.32Å; V489-Q491 PolarHBondContact O-N 3.07Å; V489-D492 WeakPolarHBondContact O-CB 3.44Å; V489-D492 PolarHBondContact O-N 2.6Å; V489-I493 HydrophobicContact CG2-CD1 4.05Å; V489-I493 HydrophobicContact CG2-CG1 4.4Å; V489-I493 VanDerWaalsContact O-CG1 3.31Å; V489-I493 WeakPolarHBondContact O-CG1 3.4Å; V489-I493 PolarHBondContact O-N 3.23Å |
| 490 | L | 98 | Very high | 97.4 | Very high | 78 Ų | 78 | 66.5 Ų | 66.5 | 41% | 0.408 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -66.4 | -39.8 | 178.9 | -70.4 | 173.2 | 0 | 0 | 0 | 110.7 | L420 L486 A487 A494 | L420-L490 HydrophobicContact CB-CD2 4.3Å; L486-L490 HydrophobicContact CD1-CD1 4.03Å; L486-L490 HydrophobicContact CD1-CG 4.21Å; L486-L490 HydrophobicContact CG-CD1 4.08Å; L486-L490 VanDerWaalsContact O-CG 3.27Å; L486-L490 WeakPolarHBondContact O-CG 3.31Å; L486-L490 PolarHBondContact O-N 2.04Å; L486-L490 VanDerWaalsContact O-N 3.14Å; A487-L490 PolarHBondContact O-N 3.4Å; L490-A494 WeakPolarHBondContact O-CB 3.43Å; L490-A494 PolarHBondContact O-N 3.45Å |
| 491 | Q | 98 | Very high | 97.3 | Very high | 111 Ų | 111 | 63.4 Ų | 63.4 | 52% | 0.519 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -67.9 | -37.1 | 173.7 | -174.2 | 60.3 | 70.4 | 0 | 0 | 112.1 | A487 D488 V489 A494 N495 | A487-Q491 WeakPolarHBondContact O-CB 3.39Å; A487-Q491 PolarHBondContact O-N 2.78Å; D488-Q491 PolarHBondContact O-N 3.38Å; V489-Q491 VanDerWaalsContact C-N 3.32Å; V489-Q491 PolarHBondContact O-N 3.07Å; Q491-A494 PolarHBondContact O-N 3.39Å; Q491-N495 PolarHBondContact NE2-ND2 3.03Å; Q491-N495 PolarHBondContact NE2-OD1 3.35Å; Q491-N495 WeakPolarHBondContact O-CB 3.46Å; Q491-N495 PolarHBondContact O-N 3.35Å; Q491-N495 VanDerWaalsContact O-N 3.13Å; Q491-N495 PolarHBondContact O-ND2 3.41Å; Q491-N495 VanDerWaalsContact O-ND2 3.08Å |
| 492 | D | 97.6 | Very high | 97.3 | Very high | 45 Ų | 45 | 60.6 Ų | 60.6 | 24% | 0.241 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62.3 | -46.8 | 175.3 | -177.7 | 99 | 0 | 0 | 0 | 111.8 | R99 R385 D488 V489 N495 D496 | R99-D492 IonicContact CZ-OD2 2.81Å; R99-D492 IonicContact NH1-OD2 3.98Å; R99-D492 PolarHBondContact NH1-OD2 3.38Å; R99-D492 IonicContact NH2-OD2 3.29Å; R99-D492 PolarHBondContact NH2-OD2 2.8Å; R385-D492 WeakPolarHBondContact CD-OD1 3.4Å; R385-D492 WeakPolarHBondContact CD-OD2 3.37Å; R385-D492 IonicContact CZ-OD1 3.59Å; R385-D492 IonicContact NE-OD1 3.7Å; R385-D492 IonicContact NH1-OD1 2.71Å; R385-D492 PolarHBondContact NH1-OD1 2.92Å; D488-D492 VanDerWaalsContact O-CB 3.27Å; D488-D492 WeakPolarHBondContact O-CB 3.32Å; D488-D492 PolarHBondContact O-N 2.94Å; V489-D492 WeakPolarHBondContact O-CB 3.44Å; V489-D492 PolarHBondContact O-N 2.6Å; D492-N495 PolarHBondContact O-N 2.91Å; D492-D496 PolarHBondContact O-N 3.35Å |
| 493 | I | 97.3 | Very high | 97.1 | Very high | 13 Ų | 13 | 63 Ų | 63 | 7% | 0.067 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -62.1 | -45.2 | 175.4 | -69 | 167 | 0 | 0 | 0 | 110.8 | L98 R99 L420 V489 N495 D496 I498 | L98-I493 HydrophobicContact CB-CD1 4.31Å; L98-I493 HydrophobicContact CB-CG2 4.11Å; L98-I493 HydrophobicContact CD1-CD1 4.18Å; R99-I493 HydrophobicContact CG-CG1 4.16Å; R99-I493 HydrophobicContact CG-CG2 4.45Å; R99-I493 VanDerWaalsContact CZ-CG1 3.47Å; L420-I493 HydrophobicContact CD1-CD1 3.69Å; V489-I493 HydrophobicContact CG2-CD1 4.05Å; V489-I493 HydrophobicContact CG2-CG1 4.4Å; V489-I493 VanDerWaalsContact O-CG1 3.31Å; V489-I493 WeakPolarHBondContact O-CG1 3.4Å; V489-I493 PolarHBondContact O-N 3.23Å; I493-N495 PolarHBondContact O-N 3.09Å; I493-D496 WeakPolarHBondContact O-CB 3.26Å; I493-D496 PolarHBondContact O-N 3.18Å; I493-D496 VanDerWaalsContact O-N 3.08Å; I493-I498 HydrophobicContact CG2-CG2 4.25Å |
| 494 | A | 95.6 | Very high | 97.1 | Very high | 72 Ų | 72 | 61.3 Ų | 61.3 | 60% | 0.595 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -62.4 | -23.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | L490 Q491 | L490-A494 WeakPolarHBondContact O-CB 3.43Å; L490-A494 PolarHBondContact O-N 3.45Å; Q491-A494 PolarHBondContact O-N 3.39Å |
| 495 | N | 95.6 | Very high | 97 | Very high | 97 Ų | 97 | 60.8 Ų | 60.8 | 52% | 0.519 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98 | 4.7 | 178.6 | -69.3 | -26.9 | 0 | 0 | 0 | 113.5 | Q491 D492 I493 | Q491-N495 PolarHBondContact NE2-ND2 3.03Å; Q491-N495 PolarHBondContact NE2-OD1 3.35Å; Q491-N495 WeakPolarHBondContact O-CB 3.46Å; Q491-N495 PolarHBondContact O-N 3.35Å; Q491-N495 VanDerWaalsContact O-N 3.13Å; Q491-N495 PolarHBondContact O-ND2 3.41Å; Q491-N495 VanDerWaalsContact O-ND2 3.08Å; D492-N495 PolarHBondContact O-N 2.91Å; I493-N495 PolarHBondContact O-N 3.09Å |
| 496 | D | 95.4 | Very high | 96.9 | Very high | 22 Ų | 22 | 62.5 Ų | 62.5 | 12% | 0.118 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -96.2 | 162 | 179.4 | -170.3 | 26 | 0 | 0 | 0 | 111.4 | R95 R99 R385 D492 I493 I498 | R95-D496 IonicContact CZ-OD2 2.76Å; R95-D496 IonicContact NH1-OD1 3.4Å; R95-D496 IonicContact NH1-OD2 3.53Å; R95-D496 PolarHBondContact NH1-OD2 2.8Å; R95-D496 IonicContact NH2-OD2 3.38Å; R99-D496 WeakPolarHBondContact CD-OD2 3.26Å; R99-D496 IonicContact CZ-OD2 3.07Å; R99-D496 IonicContact NH1-OD2 3.38Å; R99-D496 PolarHBondContact NH1-OD2 3.05Å; R99-D496 VanDerWaalsContact NH1-OD2 3.13Å; R385-D496 HydrophobicContact CG-CB 4.33Å; R385-D496 PolarHBondContact N-OD1 2.75Å; D492-D496 PolarHBondContact O-N 3.35Å; I493-D496 WeakPolarHBondContact O-CB 3.26Å; I493-D496 PolarHBondContact O-N 3.18Å; I493-D496 VanDerWaalsContact O-N 3.08Å; D496-I498 HydrophobicContact CB-CG2 4.4Å; D496-I498 PolarHBondContact O-N 3.45Å; D496-I498 VanDerWaalsContact O-N 3.08Å |
| 497 | N | 93.3 | Very high | 96.7 | Very high | 93 Ų | 93 | 66.2 Ų | 66.2 | 50% | 0.497 | 38% | 0.379 | S | S | . | . | trans | -78.5 | 90.1 | 168.9 | -171 | 13.5 | 0 | 0 | 0 | 108.8 | R95 | R95-N497 PolarHBondContact NH2-O 2.95Š| ||
| 498 | I | 96.1 | Very high | 96.5 | Very high | 90 Ų | 90 | 68 Ų | 68 | 46% | 0.462 | 39% | 0.388 | S | S | . | . | trans | -82.8 | 151.1 | -179.3 | 67.4 | 171.8 | 0 | 0 | 0 | 111.7 | R99 I493 D496 | R99-I498 WeakPolarHBondContact O-CA 2.92Å; I493-I498 HydrophobicContact CG2-CG2 4.25Å; D496-I498 HydrophobicContact CB-CG2 4.4Å; D496-I498 PolarHBondContact O-N 3.45Å; D496-I498 VanDerWaalsContact O-N 3.08Å | ||
| 499 | S | 97.2 | Very high | 96.4 | Very high | 9 Ų | 9 | 64.5 Ų | 64.5 | 6% | 0.063 | 37% | 0.37 | C | S | . | . | trans | -105.3 | 158.6 | 172.6 | -67 | 0 | 0 | 0 | 0 | 110.5 | R99 N100 G101 N117 E118 R384 | R99-S499 PolarHBondContact O-N 3.27Å; N100-S499 WeakPolarHBondContact O-CB 3.29Å; G101-S499 WeakPolarHBondContact CA-O 3.27Å; G101-S499 PolarHBondContact N-O 3Å; N117-S499 PolarHBondContact ND2-OG 3.27Å; N117-S499 WeakPolarHBondContact OD1-CB 3.47Å; N117-S499 PolarHBondContact OD1-OG 2.8Å; E118-S499 PolarHBondContact OE1-OG 3.38Å; E118-S499 VanDerWaalsContact OE1-OG 3.08Å; R384-S499 PolarHBondContact NH1-OG 2.79Å | ||
| 500 | S | 96.7 | Very high | 96.3 | Very high | 106 Ų | 106 | 65.3 Ų | 65.3 | 74% | 0.741 | 38% | 0.375 | S | S | * | . | trans | -128.1 | 124.9 | 175.8 | -174.2 | 0 | 0 | 0 | 0 | 109.1 | P115 | P115-S500 VanDerWaalsContact CG-C 3.48Å; P115-S500 WeakPolarHBondContact CG-O 3.31Å | ||
| 501 | A | 97.4 | Very high | 96.2 | Very high | 11 Ų | 11 | 62 Ų | 62 | 9% | 0.091 | 36% | 0.358 | C | S | . | . | trans | -74.9 | 145.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111 | G101 V102 F106 P115 Y503 | G101-A501 WeakPolarHBondContact O-CB 3.46Å; G101-A501 PolarHBondContact O-N 2.83Å; V102-A501 HydrophobicContact CG2-CB 4.34Å; F106-A501 HydrophobicContact CE1-CB 4.17Å; F106-A501 HydrophobicContact CZ-CB 3.9Å; P115-A501 HydrophobicContact CG-CB 4.16Å; A501-Y503 HydrophobicContact CB-CD2 4.11Å; A501-Y503 HydrophobicContact CB-CE2 3.58Å | ||
| 502 | D | 97.3 | Very high | 96.1 | Very high | 62 Ų | 62 | 58.9 Ų | 58.9 | 33% | 0.332 | 35% | 0.348 | S | S | . | . | trans | -89.8 | 116.3 | 169 | 177 | 13.9 | 0 | 0 | 0 | 108.6 | G112 T504 | G112-D502 VanDerWaalsContact CA-O 3.24Å; G112-D502 WeakPolarHBondContact CA-O 3.42Å; D502-T504 WeakPolarHBondContact OD1-CB 3.05Å; D502-T504 PolarHBondContact OD1-N 3.13Å; D502-T504 PolarHBondContact OD1-OG1 3.41Å | ||
| 503 | Y | 96.1 | Very high | 96 | Very high | 51 Ų | 51 | 59 Ų | 59 | 20% | 0.2 | 35% | 0.351 | C | S | . | . | trans | -103.2 | 12.3 | 179.6 | -72.3 | -74.9 | 0 | 0 | 0 | 112.7 | V102 T103 H104 F106 A501 Q505 | V102-Y503 WeakPolarHBondContact CA-OH 3.24Å; T103-Y503 PolarHBondContact N-OH 2.93Å; H104-Y503 AromaticContact CD2-CD1 3.82Å; H104-Y503 AromaticContact CD2-CE1 3.62Å; H104-Y503 AromaticContact CE1-CD1 3.46Å; H104-Y503 VanDerWaalsContact CE1-CD1 3.46Å; H104-Y503 WeakPolarHBondContact CE1-CD1 3.37Å; H104-Y503 AromaticContact CE1-CD2 3.28Å; H104-Y503 WeakPolarHBondContact CE1-CD2 3.22Å; H104-Y503 AromaticContact CE1-CE1 3.4Å; H104-Y503 WeakPolarHBondContact CE1-CE1 3.42Å; H104-Y503 AromaticContact CE1-CE2 3.19Å; H104-Y503 WeakPolarHBondContact CE1-CE2 3.3Å; H104-Y503 AromaticContact CE1-CG 3.38Å; H104-Y503 AromaticContact CE1-CZ 3.24Å; H104-Y503 AromaticContact CG-CE1 3.87Å; H104-Y503 AromaticContact CG-CZ 3.88Å; H104-Y503 PolarHBondContact N-OH 2.02Å; H104-Y503 VanDerWaalsContact N-OH 3.12Å; H104-Y503 AromaticContact ND1-CE1 3.72Å; H104-Y503 AromaticContact ND1-CE2 3.59Å; H104-Y503 AromaticContact ND1-CZ 3.34Å; H104-Y503 VanDerWaalsContact ND1-CZ 3.34Å; H104-Y503 AromaticContact NE2-CD1 3.15Å; H104-Y503 WeakPolarHBondContact NE2-CD1 3Å; H104-Y503 AromaticContact NE2-CD2 3.81Å; H104-Y503 AromaticContact NE2-CE1 3.34Å; H104-Y503 VanDerWaalsContact NE2-CE1 3.34Å; H104-Y503 WeakPolarHBondContact NE2-CE1 3.21Å; H104-Y503 AromaticContact NE2-CE2 3.95Å; H104-Y503 AromaticContact NE2-CG 3.38Å; H104-Y503 AromaticContact NE2-CZ 3.72Å; H104-Y503 WeakPolarHBondContact O-CE1 3.49Å; H104-Y503 PolarHBondContact O-OH 3.46Å; F106-Y503 AromaticContact CD1-CD1 3.69Å; F106-Y503 HydrophobicContact CD1-CD1 3.69Å; F106-Y503 AromaticContact CD1-CE1 3.56Å; F106-Y503 HydrophobicContact CD1-CE1 3.56Å; F106-Y503 AromaticContact CE1-CD1 3.58Å; F106-Y503 HydrophobicContact CE1-CD1 3.58Å; F106-Y503 AromaticContact CE1-CE1 3.28Å; F106-Y503 HydrophobicContact CE1-CE1 3.28Å; F106-Y503 HydrophobicContact CE1-CG 4.42Å; F106-Y503 AromaticContact CE1-CZ 3.93Å; F106-Y503 HydrophobicContact CG-CE1 4.3Å; F106-Y503 AromaticContact CZ-CE1 3.82Å; F106-Y503 HydrophobicContact CZ-CE1 3.82Å; A501-Y503 HydrophobicContact CB-CD2 4.11Å; A501-Y503 HydrophobicContact CB-CE2 3.58Å; Y503-Q505 PolarHBondContact O-N 3.28Å | ||
| 504 | T | 97.4 | Very high | 95.8 | Very high | 82 Ų | 82 | 60.5 Ų | 60.5 | 50% | 0.503 | 36% | 0.36 | S | S | . | . | trans | -55.2 | 137.9 | 173.8 | -56.9 | 0 | 0 | 0 | 0 | 110.2 | S110 V111 D502 | S110-T504 WeakPolarHBondContact CA-O 3.4Å; V111-T504 HydrophobicContact CG2-CG2 4.24Å; V111-T504 PolarHBondContact N-O 3.16Å; D502-T504 WeakPolarHBondContact OD1-CB 3.05Å; D502-T504 PolarHBondContact OD1-N 3.13Å; D502-T504 PolarHBondContact OD1-OG1 3.41Å | ||
| 505 | Q | 96.4 | Very high | 95.6 | Very high | 126 Ų | 126 | 61.9 Ų | 61.9 | 59% | 0.589 | 36% | 0.362 | S | S | * | . | B | Isolated β-bridge | trans | -115 | 132 | 179.1 | -67.8 | -176.6 | 41.4 | 0 | 0 | 110.8 | A107 T109 Y503 | A107-Q505 HydrophobicContact CB-CG 4.45Å; T109-Q505 CarbonylContact O-C 3.44Å; T109-Q505 VanDerWaalsContact O-CA 3.23Å; T109-Q505 WeakPolarHBondContact O-CA 3.49Å; T109-Q505 WeakPolarHBondContact OG1-CG 3.33Å; T109-Q505 PolarHBondContact OG1-OE1 3.16Å; Y503-Q505 PolarHBondContact O-N 3.28Å |
| 506 | D | 96.7 | Very high | 95.4 | Very high | 67 Ų | 67 | 67.1 Ų | 67.1 | 36% | 0.358 | 38% | 0.377 | S | S | . | . | trans | -138.9 | 116.9 | 175 | -172.8 | -28.6 | 0 | 0 | 0 | 109 | T109 V111 S508 V509 | T109-D506 PolarHBondContact O-N 3.43Å; V111-D506 HydrophobicContact CG2-CB 3.53Å; D506-S508 PolarHBondContact O-N 3.49Å; D506-S508 VanDerWaalsContact OD1-CB 3.25Å; D506-S508 WeakPolarHBondContact OD1-CB 3.02Å; D506-S508 PolarHBondContact OD1-N 3.25Å; D506-S508 PolarHBondContact OD1-OG 2.87Å; D506-S508 PolarHBondContact OD2-OG 2.92Å; D506-V509 HydrophobicContact CB-CG1 4.39Å; D506-V509 WeakPolarHBondContact O-CG2 3.36Å; D506-V509 PolarHBondContact O-N 3.01Å; D506-V509 VanDerWaalsContact O-N 3.11Å | ||
| 507 | P | 93.6 | Very high | 95.2 | Very high | 98 Ų | 98 | 69.1 Ų | 69.1 | 64% | 0.636 | 39% | 0.385 | S | S | * | . | G | 310 helix | trans | -55 | -25.8 | 177.6 | -27 | 35.8 | 0 | 0 | 0 | 114.5 | V509 T510 | P507-V509 PolarHBondContact O-N 2.96Å; P507-T510 VanDerWaalsContact O-CB 3.27Å; P507-T510 WeakPolarHBondContact O-CB 3.15Å; P507-T510 PolarHBondContact O-N 3.01Å; P507-T510 PolarHBondContact O-OG1 2.05Å |
| 508 | S | 94.1 | Very high | 95 | Very high | 94 Ų | 94 | 66.6 Ų | 66.6 | 66% | 0.657 | 37% | 0.373 | S | S | * | . | G | 310 helix | trans | -68 | -17.7 | -180 | 70.9 | 0 | 0 | 0 | 0 | 114.1 | D506 T510 | D506-S508 PolarHBondContact O-N 3.49Å; D506-S508 VanDerWaalsContact OD1-CB 3.25Å; D506-S508 WeakPolarHBondContact OD1-CB 3.02Å; D506-S508 PolarHBondContact OD1-N 3.25Å; D506-S508 PolarHBondContact OD1-OG 2.87Å; D506-S508 PolarHBondContact OD2-OG 2.92Å; S508-T510 VanDerWaalsContact C-N 3.31Å |
| 509 | V | 95.8 | Very high | 94.7 | Very high | 15 Ų | 15 | 62.7 Ų | 62.7 | 9% | 0.091 | 35% | 0.354 | C | S | . | . | G | 310 helix | trans | -88.1 | 0.1 | 176.2 | -55.3 | 0 | 0 | 0 | 0 | 113.4 | T109 V111 H142 H143 D506 P507 | T109-V509 VanDerWaalsContact O-CG2 3.26Å; T109-V509 WeakPolarHBondContact O-CG2 3.44Å; V111-V509 HydrophobicContact CG2-CG1 4.22Å; V111-V509 HydrophobicContact CG2-CG2 4.28Å; H142-V509 PolarHBondContact NE2-O 2.9Å; H143-V509 HydrophobicContact CB-CB 4.13Å; D506-V509 HydrophobicContact CB-CG1 4.39Å; D506-V509 WeakPolarHBondContact O-CG2 3.36Å; D506-V509 PolarHBondContact O-N 3.01Å; D506-V509 VanDerWaalsContact O-N 3.11Å; P507-V509 PolarHBondContact O-N 2.96Å |
| 510 | T | 95.9 | Very high | 94.6 | Very high | 30 Ų | 30 | 63.4 Ų | 63.4 | 18% | 0.184 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -64.1 | 128 | 177.5 | -52.7 | 0 | 0 | 0 | 0 | 109.7 | V199 P507 S508 C512 | V199-T510 HydrophobicContact CB-CG2 4.07Å; V199-T510 HydrophobicContact CG1-CG2 4.01Å; V199-T510 HydrophobicContact CG2-CG2 3.66Å; P507-T510 VanDerWaalsContact O-CB 3.27Å; P507-T510 WeakPolarHBondContact O-CB 3.15Å; P507-T510 PolarHBondContact O-N 3.01Å; P507-T510 PolarHBondContact O-OG1 2.05Å; S508-T510 VanDerWaalsContact C-N 3.31Å; T510-C512 PolarHBondContact O-N 3.13Å |
| 511 | P | 96.1 | Very high | 94.4 | Very high | 8 Ų | 8 | 59 Ų | 59 | 5% | 0.052 | 33% | 0.326 | C | S | . | . | trans | -55.6 | 127.6 | 177.4 | -30.2 | 39 | 0 | 0 | 0 | 112.5 | Y161 P202 Y204 I209 Q212 | Y161-P511 HydrophobicContact CE1-CG 4.18Å; P202-P511 HydrophobicContact CB-CB 4.23Å; P202-P511 HydrophobicContact CG-CB 3.76Å; P202-P511 HydrophobicContact CG-CG 4.17Å; Y204-P511 HydrophobicContact CE2-CB 4.38Å; Y204-P511 WeakPolarHBondContact OH-CB 3.36Å; I209-P511 HydrophobicContact CD1-CB 4.04Å; Q212-P511 PolarHBondContact NE2-O 3.04Å | ||
| 512 | C | 96.1 | Very high | 94.2 | Very high | 45 Ų | 45 | 60.4 Ų | 60.4 | 30% | 0.304 | 34% | 0.335 | S | S | . | . | trans | -140.3 | 115.8 | -177.8 | -162.8 | 0 | 0 | 0 | 0 | 111.6 | T510 N514 P515 C520 | T510-C512 PolarHBondContact O-N 3.13Å; C512-N514 VanDerWaalsContact SG-C 3.59Å; C512-P515 WeakPolarHBondContact SG-CA 3.36Å; C512-C520 HydrophobicContact CB-CB 3.77Å; C512-C520 WeakPolarHBondContact CB-SG 3.48Å; C512-C520 WeakPolarHBondContact SG-CB 3.41Å; C512-C520 CovalentContact SG-SG 2.04Å; C512-C520 PolarHBondContact SG-SG 3.1Å | ||
| 513 | C | 95.7 | Very high | 93.4 | Very high | 47 Ų | 47 | 64.9 Ų | 64.9 | 32% | 0.318 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -72.6 | -42.3 | 177.6 | -161.7 | 0 | 0 | 0 | 0 | 111.4 | I209 Q212 C520 C522 | I209-C513 HydrophobicContact CG2-CB 4.07Å; Q212-C513 HydrophobicContact CB-CB 4.16Å; Q212-C513 VanDerWaalsContact OE1-CB 3.24Å; C513-C520 WeakPolarHBondContact CB-O 3.04Å; C513-C520 PolarHBondContact N-O 3.03Å; C513-C522 HydrophobicContact CB-CB 3.93Å; C513-C522 WeakPolarHBondContact CB-SG 3.29Å; C513-C522 WeakPolarHBondContact SG-CA 3.03Å; C513-C522 WeakPolarHBondContact SG-CB 3.16Å; C513-C522 CovalentContact SG-SG 2.03Å; C513-C522 PolarHBondContact SG-SG 2.9Å |
| 514 | N | 94.1 | Very high | 91.8 | Very high | 46 Ų | 46 | 65.9 Ų | 65.9 | 25% | 0.246 | 37% | 0.372 | C | S | . | . | trans | -141.6 | 109.8 | 173 | -170.7 | -19.1 | 0 | 0 | 0 | 111.1 | C512 Y516 Q517 C520 R521 | C512-N514 VanDerWaalsContact SG-C 3.59Å; N514-Y516 PolarHBondContact O-N 2.93Å; N514-Y516 WeakPolarHBondContact OD1-CB 2.97Å; N514-Y516 WeakPolarHBondContact OD1-CD2 3.42Å; N514-Y516 PolarHBondContact OD1-N 3.19Å; N514-Q517 HydrophobicContact CB-CB 4.25Å; N514-Q517 HydrophobicContact CB-CG 3.88Å; N514-Q517 PolarHBondContact O-N 3.17Å; N514-Q517 VanDerWaalsContact O-N 3.16Å; N514-C520 WeakPolarHBondContact O-CA 3.35Å; N514-R521 VanDerWaalsContact CB-O 3.24Å; N514-R521 WeakPolarHBondContact CB-O 3.4Å | ||
| 515 | P | 91.9 | Very high | 89.8 | Confident | 100 Ų | 100 | 68 Ų | 68 | 65% | 0.649 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -10.9 | -178.4 | 29.8 | -36 | 0 | 0 | 0 | 114 | C512 | C512-P515 WeakPolarHBondContact SG-CA 3.36Š|
| 516 | Y | 90.8 | Very high | 89.5 | Confident | 208 Ų | 208 | 65.1 Ų | 65.1 | 82% | 0.816 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.9 | -2.6 | 176.1 | -54.3 | -69.9 | 0 | 0 | 0 | 113.2 | N514 | N514-Y516 PolarHBondContact O-N 2.93Å; N514-Y516 WeakPolarHBondContact OD1-CB 2.97Å; N514-Y516 WeakPolarHBondContact OD1-CD2 3.42Å; N514-Y516 PolarHBondContact OD1-N 3.19Å |
| 517 | Q | 90 | Very high | 89.1 | Confident | 63 Ų | 63 | 64.9 Ų | 64.9 | 29% | 0.294 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -106 | 140.3 | 177.6 | -64.7 | -68.2 | -41.4 | 0 | 0 | 109.8 | N514 A519 C520 R521 | N514-Q517 HydrophobicContact CB-CB 4.25Å; N514-Q517 HydrophobicContact CB-CG 3.88Å; N514-Q517 PolarHBondContact O-N 3.17Å; N514-Q517 VanDerWaalsContact O-N 3.16Å; Q517-A519 PolarHBondContact O-N 2.92Å; Q517-C520 PolarHBondContact O-N 3.24Å; Q517-R521 HydrophobicContact CB-CB 4.22Å |
| 518 | T | 89.7 | Confident | 88.9 | Confident | 40 Ų | 40 | 63.1 Ų | 63.1 | 25% | 0.245 | 36% | 0.364 | C | S | . | . | G | 310 helix | trans | -52.1 | 136.2 | 171.5 | -44 | 0 | 0 | 0 | 0 | 109.6 | P182 D185 C520 R521 | P182-T518 HydrophobicContact CB-CG2 4.06Å; P182-T518 HydrophobicContact CG-CG2 3.92Å; D185-T518 PolarHBondContact OD1-OG1 2.63Å; T518-C520 PolarHBondContact O-N 3.21Å; T518-C520 VanDerWaalsContact O-N 3.14Å; T518-R521 VanDerWaalsContact O-CD 3.3Å; T518-R521 WeakPolarHBondContact O-CD 3.15Å; T518-R521 WeakPolarHBondContact O-CG 3.1Å |
| 519 | A | 90.7 | Very high | 88.6 | Confident | 8 Ų | 8 | 61.3 Ų | 61.3 | 7% | 0.066 | 35% | 0.347 | C | S | . | . | G | 310 helix | trans | 56.8 | 23 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | P182 D198 A200 Q517 R521 | P182-A519 HydrophobicContact CG-CB 4.15Å; D198-A519 WeakPolarHBondContact O-CA 3.45Å; A200-A519 HydrophobicContact CB-CB 4.26Å; A200-A519 WeakPolarHBondContact CB-O 3.31Å; A200-A519 PolarHBondContact N-O 2.82Å; Q517-A519 PolarHBondContact O-N 2.92Å; A519-R521 VanDerWaalsContact C-N 3.31Å; A519-R521 PolarHBondContact O-N 2.65Å |
| 520 | C | 94 | Very high | 88.1 | Confident | 25 Ų | 25 | 64.2 Ų | 64.2 | 17% | 0.169 | 36% | 0.363 | C | S | . | . | G | 310 helix | trans | 63.4 | 28.9 | 174.4 | -77 | 0 | 0 | 0 | 0 | 115.6 | V199 Q212 C512 C513 N514 Q517 T518 | V199-C520 HydrophobicContact CG2-CB 4.17Å; Q212-C520 PolarHBondContact OE1-O 3.37Å; C512-C520 HydrophobicContact CB-CB 3.77Å; C512-C520 WeakPolarHBondContact CB-SG 3.48Å; C512-C520 WeakPolarHBondContact SG-CB 3.41Å; C512-C520 CovalentContact SG-SG 2.04Å; C512-C520 PolarHBondContact SG-SG 3.1Å; C513-C520 WeakPolarHBondContact CB-O 3.04Å; C513-C520 PolarHBondContact N-O 3.03Å; N514-C520 WeakPolarHBondContact O-CA 3.35Å; Q517-C520 PolarHBondContact O-N 3.24Å; T518-C520 PolarHBondContact O-N 3.21Å; T518-C520 VanDerWaalsContact O-N 3.14Å |
| 521 | R | 93.4 | Very high | 87.6 | Confident | 14 Ų | 14 | 66.5 Ų | 66.5 | 5% | 0.053 | 37% | 0.374 | C | S | . | . | trans | -64.7 | 141.7 | -174.7 | -61.1 | 168 | 121.8 | -87.2 | -5.9 | 112.9 | D169 Q212 N514 Q517 T518 A519 Q523 | D169-R521 IonicContact OD1-CZ 2.6Å; D169-R521 IonicContact OD1-NH2 3.91Å; D169-R521 PolarHBondContact OD1-NH2 3.15Å; D169-R521 IonicContact OD2-CZ 2.65Å; D169-R521 IonicContact OD2-NH2 3.78Å; D169-R521 PolarHBondContact OD2-NH2 3.45Å; Q212-R521 CarbonylContact O-C 3.57Å; Q212-R521 VanDerWaalsContact O-CA 3.28Å; Q212-R521 WeakPolarHBondContact O-CA 3.43Å; N514-R521 VanDerWaalsContact CB-O 3.24Å; N514-R521 WeakPolarHBondContact CB-O 3.4Å; Q517-R521 HydrophobicContact CB-CB 4.22Å; T518-R521 VanDerWaalsContact O-CD 3.3Å; T518-R521 WeakPolarHBondContact O-CD 3.15Å; T518-R521 WeakPolarHBondContact O-CG 3.1Å; A519-R521 VanDerWaalsContact C-N 3.31Å; A519-R521 PolarHBondContact O-N 2.65Å; R521-Q523 PolarHBondContact NH1-O 2.84Å | ||
| 522 | C | 92.6 | Very high | 87 | Confident | 40 Ų | 40 | 70.6 Ų | 70.6 | 27% | 0.27 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -71.2 | -33.4 | 175 | -69.2 | 0 | 0 | 0 | 0 | 113.5 | Q212 C513 | Q212-C522 PolarHBondContact O-N 2.83Å; C513-C522 HydrophobicContact CB-CB 3.93Å; C513-C522 WeakPolarHBondContact CB-SG 3.29Å; C513-C522 WeakPolarHBondContact SG-CA 3.03Å; C513-C522 WeakPolarHBondContact SG-CB 3.16Å; C513-C522 CovalentContact SG-SG 2.03Å; C513-C522 PolarHBondContact SG-SG 2.9Å |
| 523 | Q | 80.7 | Confident | 86.3 | Confident | 156 Ų | 156 | 72.6 Ų | 72.6 | 73% | 0.729 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -124 | 146 | -179.3 | -64.9 | -178.9 | -6 | 0 | 0 | 109.4 | R521 | R521-Q523 PolarHBondContact NH1-O 2.84Š|
| 524 | A | 62 | Low | 85.5 | Confident | 71 Ų | 71 | 74.8 Ų | 74.8 | 59% | 0.587 | 41% | 0.412 | S | S | * | . | trans | -61.2 | 146.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 525 | P | 56.6 | Low | 84.8 | Confident | 126 Ų | 126 | 77.4 Ų | 77.4 | 82% | 0.818 | 43% | 0.427 | S | S | * | . | trans | -46.9 | 0 | -178.4 | -30.2 | 35.8 | 0 | 0 | 0 | 116.3 | Q183 | Q183-P525 HydrophobicContact CB-CG 4.45Å; Q183-P525 VanDerWaalsContact OE1-CG 3.24Å |
Retrieved 525 of 525 residues in 120.9 ms
(Link to these results)