| 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 | 35.3 | Very low | 33 | Very low | 250 Ų | 250 | 173.8 Ų | 173.8 | 100% | 1.232 | 86% | 0.858 | S | S | * | * | 0 | 128.6 | 0 | -85.4 | -179.8 | 178.7 | 0 | 0 | 108 | |||||
| 2 | V | 30.6 | Very low | 32.8 | Very low | 146 Ų | 146 | 165.6 Ų | 165.6 | 89% | 0.885 | 85% | 0.851 | S | S | * | * | trans | -62.3 | 129.9 | -173.2 | 176.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 3 | K | 38.5 | Very low | 32.7 | Very low | 176 Ų | 176 | 163 Ų | 163 | 77% | 0.765 | 84% | 0.838 | S | S | * | * | trans | 165.6 | 132.4 | 155.9 | -95.5 | 178 | 175.2 | -167.1 | 0 | 106.5 | ||||
| 4 | E | 38.3 | Very low | 32.7 | Very low | 157 Ų | 157 | 165.3 Ų | 165.3 | 73% | 0.734 | 84% | 0.844 | S | S | * | * | cis | -161.6 | 129.9 | 11 | -115.9 | 156.8 | -155.4 | 0 | 0 | 106.2 | ||||
| 5 | L | 30.2 | Very low | 32.8 | Very low | 170 Ų | 170 | 164.2 Ų | 164.2 | 89% | 0.89 | 83% | 0.833 | S | S | * | * | trans | -68.5 | 131 | 167.3 | -83.1 | 145.9 | 0 | 0 | 0 | 109.3 | ||||
| 6 | N | 35.7 | Very low | 32.9 | Very low | 152 Ų | 152 | 158.9 Ų | 158.9 | 81% | 0.813 | 83% | 0.833 | S | S | * | * | trans | -124.6 | 88.4 | 161.5 | -106.9 | -17.9 | 0 | 0 | 0 | 110.7 | ||||
| 7 | T | 34.5 | Very low | 32.9 | Very low | 109 Ų | 109 | 157.9 Ų | 157.9 | 67% | 0.669 | 83% | 0.826 | S | S | * | * | trans | 34.9 | 113.4 | 131.7 | 55.9 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 8 | Q | 30.1 | Very low | 32.9 | Very low | 190 Ų | 190 | 161.8 Ų | 161.8 | 89% | 0.888 | 83% | 0.83 | S | S | * | * | 32.3 | 121.2 | 127.8 | -69.2 | -177.2 | -17.5 | 0 | 0 | 118.9 | |||||
| 9 | K | 32.5 | Very low | 32.7 | Very low | 208 Ų | 208 | 158.9 Ų | 158.9 | 90% | 0.904 | 83% | 0.826 | S | S | * | * | trans | -131.2 | 145.8 | 133.4 | -95.4 | -171.9 | 177.4 | 176.4 | 0 | 110.5 | ||||
| 10 | P | 31 | Very low | 32.8 | Very low | 116 Ų | 116 | 155.1 Ų | 155.1 | 75% | 0.753 | 82% | 0.819 | S | S | * | * | trans | -105.1 | 174.3 | -145 | 31.4 | -16.6 | 0 | 0 | 0 | 112.9 | G12 | P10-G12 PolarHBondContact O-N 3.12Š| ||
| 11 | W | 26.1 | Very low | 32.8 | Very low | 238 Ų | 238 | 160.1 Ų | 160.1 | 90% | 0.902 | 83% | 0.826 | S | S | * | * | trans | -38.2 | 115.8 | 166.8 | -74.3 | 26.3 | 0 | 0 | 0 | 112.6 | ||||
| 12 | G | 31.3 | Very low | 32.7 | Very low | 75 Ų | 75 | 151.8 Ų | 151.8 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | trans | -93.9 | 86.7 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | P10 E14 | P10-G12 PolarHBondContact O-N 3.12Å; G12-E14 PolarHBondContact O-N 2.92Å | ||
| 13 | L | 30.9 | Very low | 32.7 | Very low | 132 Ų | 132 | 156.2 Ų | 156.2 | 69% | 0.691 | 81% | 0.806 | S | S | * | * | trans | -66.5 | 99.9 | 155.2 | -91.9 | 150.9 | 0 | 0 | 0 | 107.6 | H15 | L13-H15 PolarHBondContact O-N 3.27Š| ||
| 14 | E | 33 | Very low | 32.4 | Very low | 195 Ų | 195 | 155.8 Ų | 155.8 | 91% | 0.911 | 81% | 0.811 | S | S | * | * | trans | -74.9 | 82.8 | 158.6 | -85.1 | -170.3 | 156.3 | 0 | 0 | 108.9 | G12 G16 | G12-E14 PolarHBondContact O-N 2.92Å; E14-G16 PolarHBondContact O-N 3.4Å | ||
| 15 | H | 34.3 | Very low | 32 | Very low | 149 Ų | 149 | 151.5 Ų | 151.5 | 69% | 0.69 | 80% | 0.802 | S | S | * | * | trans | -78.5 | 101.7 | 149.4 | -88.4 | -90.5 | 0 | 0 | 0 | 108.4 | L13 I17 | L13-H15 PolarHBondContact O-N 3.27Å; H15-I17 PolarHBondContact O-N 3.19Å; H15-I17 VanDerWaalsContact O-N 3.14Å | ||
| 16 | G | 33.8 | Very low | 31.9 | Very low | 80 Ų | 80 | 154.2 Ų | 154.2 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | trans | -68.1 | 97.7 | 156.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | E14 | E14-G16 PolarHBondContact O-N 3.4Š| ||
| 17 | I | 33 | Very low | 31.8 | Very low | 141 Ų | 141 | 152.7 Ų | 152.7 | 72% | 0.723 | 80% | 0.799 | S | S | * | * | trans | -78.6 | 123.9 | 166.9 | -64.5 | 168.2 | 0 | 0 | 0 | 108.2 | H15 | H15-I17 PolarHBondContact O-N 3.19Å; H15-I17 VanDerWaalsContact O-N 3.14Å | ||
| 18 | Y | 32.3 | Very low | 31.6 | Very low | 228 Ų | 228 | 156.2 Ų | 156.2 | 89% | 0.894 | 81% | 0.807 | S | S | * | * | trans | 165.3 | 130.1 | 149.1 | -89.9 | -70.2 | 0 | 0 | 0 | 105.2 | ||||
| 19 | S | 30.6 | Very low | 31.8 | Very low | 107 Ų | 107 | 155.1 Ų | 155.1 | 75% | 0.748 | 80% | 0.802 | S | S | * | * | cis | -169.4 | 160.8 | 0.4 | 176.9 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 20 | A | 33.7 | Very low | 31.9 | Very low | 83 Ų | 83 | 153.9 Ų | 153.9 | 69% | 0.686 | 79% | 0.792 | S | S | * | * | trans | 70.2 | 94.9 | 164.3 | 0 | 0 | 0 | 0 | 0 | 117.9 | G22 | A20-G22 PolarHBondContact O-N 2.81Å; A20-G22 VanDerWaalsContact O-N 3.12Å | ||
| 21 | R | 33.4 | Very low | 32.2 | Very low | 260 Ų | 260 | 154.6 Ų | 154.6 | 98% | 0.981 | 80% | 0.798 | S | S | * | * | 28 | 81.6 | 119.1 | -73.5 | 179 | 172.9 | 163.4 | -1.6 | 115.3 | |||||
| 22 | G | 33.3 | Very low | 32.8 | Very low | 75 Ų | 75 | 151.1 Ų | 151.1 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | trans | -121.3 | 94.9 | 146.6 | 0 | 0 | 0 | 0 | 0 | 107.5 | A20 | A20-G22 PolarHBondContact O-N 2.81Å; A20-G22 VanDerWaalsContact O-N 3.12Å | ||
| 23 | R | 30.3 | Very low | 33.3 | Very low | 240 Ų | 240 | 155.7 Ų | 155.7 | 91% | 0.906 | 79% | 0.791 | S | S | * | * | trans | -55.9 | 140 | 161.8 | -87.6 | 178.2 | -173.7 | 171 | 1.9 | 107.9 | ||||
| 24 | L | 31.7 | Very low | 33.9 | Very low | 167 Ų | 167 | 155.7 Ų | 155.7 | 87% | 0.874 | 79% | 0.791 | S | S | * | * | 171.5 | 108.3 | 129.7 | -88.2 | 150.2 | 0 | 0 | 0 | 105.7 | |||||
| 25 | A | 30.7 | Very low | 34.4 | Very low | 66 Ų | 66 | 152.3 Ų | 152.3 | 55% | 0.545 | 78% | 0.777 | S | S | . | * | 93.1 | 113.7 | 71.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 26 | Y | 27.6 | Very low | 35.1 | Very low | 227 Ų | 227 | 147.1 Ų | 147.1 | 89% | 0.89 | 76% | 0.758 | S | S | * | * | trans | 69.2 | 137.3 | 154.1 | -68.2 | -112.3 | 0 | 0 | 0 | 114.1 | ||||
| 27 | T | 33.7 | Very low | 35.8 | Very low | 121 Ų | 121 | 147.8 Ų | 147.8 | 74% | 0.742 | 75% | 0.747 | S | S | * | * | cis | -158.5 | 158 | 42.2 | 39.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 28 | E | 31.2 | Very low | 36.5 | Very low | 183 Ų | 183 | 150.6 Ų | 150.6 | 86% | 0.855 | 76% | 0.758 | S | S | * | * | trans | -44 | 151.6 | 160.8 | -63.6 | 168.9 | 138 | 0 | 0 | 112.1 | ||||
| 29 | E | 33.7 | Very low | 36.9 | Very low | 166 Ų | 166 | 144.9 Ų | 144.9 | 78% | 0.776 | 75% | 0.751 | S | S | * | * | trans | 117 | 101.5 | -177.7 | -72.2 | 174.8 | -162.9 | 0 | 0 | 108.5 | ||||
| 30 | R | 35.3 | Very low | 37.5 | Very low | 183 Ų | 183 | 143.8 Ų | 143.8 | 69% | 0.691 | 74% | 0.74 | S | S | * | * | -172.6 | 108.7 | 60.7 | -76.1 | 171.7 | -166.6 | -178.9 | 1.7 | 109 | F32 | R30-F32 HydrophobicContact CB-CB 4.18Å; R30-F32 PolarHBondContact O-N 3.48Å | |||
| 31 | C | 36 | Very low | 38.1 | Very low | 130 Ų | 130 | 147.7 Ų | 147.7 | 88% | 0.878 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.9 | 53 | 158.4 | -78 | 0 | 0 | 0 | 0 | 110.4 | ||
| 32 | F | 39.2 | Very low | 38.9 | Very low | 165 Ų | 165 | 139 Ų | 139 | 72% | 0.724 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.3 | 6.7 | -173.4 | -106.9 | -81.8 | 0 | 0 | 0 | 114.3 | R30 | R30-F32 HydrophobicContact CB-CB 4.18Å; R30-F32 PolarHBondContact O-N 3.48Å |
| 33 | E | 42.6 | Very low | 39.7 | Very low | 172 Ų | 172 | 144 Ų | 144 | 80% | 0.804 | 74% | 0.735 | S | S | * | * | trans | -112.1 | 15.1 | 179.4 | -70.4 | -174.1 | 174.6 | 0 | 0 | 114.2 | I35 | E33-I35 VanDerWaalsContact C-N 3.28Å; E33-I35 PolarHBondContact O-N 2.97Å | ||
| 34 | L | 41.6 | Very low | 41 | Very low | 132 Ų | 132 | 135.8 Ų | 135.8 | 69% | 0.691 | 71% | 0.713 | S | S | * | * | trans | -89 | 22.8 | 176.1 | -85.1 | 157.3 | 0 | 0 | 0 | 113.8 | ||||
| 35 | I | 44.8 | Very low | 42.4 | Very low | 123 Ų | 123 | 129.2 Ų | 129.2 | 63% | 0.631 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -98.2 | 120.8 | -176.7 | -55 | 175.3 | 0 | 0 | 0 | 108.2 | E33 | E33-I35 VanDerWaalsContact C-N 3.28Å; E33-I35 PolarHBondContact O-N 2.97Å |
| 36 | C | 47.7 | Very low | 44 | Very low | 40 Ų | 40 | 130.6 Ų | 130.6 | 27% | 0.27 | 67% | 0.674 | S | S | . | * | P | Polyproline II helix | trans | -50.9 | 130.6 | 176.1 | -62.2 | 0 | 0 | 0 | 0 | 108.7 | E38 C51 | C36-E38 PolarHBondContact O-N 3.14Å; C36-C51 WeakPolarHBondContact CB-SG 3.18Å; C36-C51 WeakPolarHBondContact SG-CB 3.06Å; C36-C51 CovalentContact SG-SG 2.1Å; C36-C51 PolarHBondContact SG-SG 3.2Å |
| 37 | P | 50.1 | Low | 45.7 | Very low | 94 Ų | 94 | 123.4 Ų | 123.4 | 61% | 0.61 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 119.9 | -167 | 23.7 | -32 | 0 | 0 | 0 | 111.5 | S39 | P37-S39 PolarHBondContact O-N 3.14Š|
| 38 | E | 47.4 | Very low | 47.1 | Very low | 201 Ų | 201 | 118.8 Ų | 118.8 | 94% | 0.939 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -68.8 | 7.3 | 176.8 | -79.2 | -168 | 157.7 | 0 | 0 | 114.2 | C36 | C36-E38 PolarHBondContact O-N 3.14Š|
| 39 | S | 41.3 | Very low | 48.6 | Very low | 107 Ų | 107 | 116.6 Ų | 116.6 | 75% | 0.748 | 63% | 0.625 | S | S | * | * | trans | -150.8 | 72.4 | -178.8 | 72.3 | 0 | 0 | 0 | 0 | 113.1 | P37 | P37-S39 PolarHBondContact O-N 3.14Š| ||
| 40 | T | 42.9 | Very low | 50.1 | Low | 85 Ų | 85 | 116 Ų | 116 | 52% | 0.521 | 62% | 0.62 | S | S | . | * | trans | -134.9 | 129 | 155.5 | 44.3 | 0 | 0 | 0 | 0 | 109.4 | S42 | T40-S42 PolarHBondContact O-N 2.72Š| ||
| 41 | T | 44.8 | Very low | 51.5 | Low | 164 Ų | 164 | 109.3 Ų | 109.3 | 100% | 1.006 | 60% | 0.601 | S | S | * | * | S | Bend | trans | -66.8 | 24.9 | 179.7 | 45.9 | 0 | 0 | 0 | 0 | 114.4 | ||
| 42 | S | 51.2 | Low | 53.2 | Low | 78 Ų | 78 | 107.9 Ų | 107.9 | 55% | 0.545 | 58% | 0.582 | S | S | . | * | S | Bend | trans | -131.5 | 107.6 | 171.1 | 54.9 | 0 | 0 | 0 | 0 | 105.8 | T40 | T40-S42 PolarHBondContact O-N 2.72Š|
| 43 | F | 50.6 | Low | 54.7 | Low | 179 Ų | 179 | 106.3 Ų | 106.3 | 79% | 0.785 | 57% | 0.574 | S | S | * | * | trans | -53.1 | 124.2 | 173 | -89.3 | -91.5 | 0 | 0 | 0 | 107.8 | A45 L55 | F43-A45 PolarHBondContact O-N 2.88Å; F43-L55 HydrophobicContact CB-CD2 4.47Å | ||
| 44 | P | 56.7 | Low | 56.3 | Low | 69 Ų | 69 | 100.2 Ų | 100.2 | 45% | 0.448 | 55% | 0.548 | S | S | . | . | trans | -59.7 | 134.6 | 175.4 | 23.1 | -29.8 | 0 | 0 | 0 | 108.2 | Y46 | P44-Y46 WeakPolarHBondContact CB-O 3.18Å; P44-Y46 WeakPolarHBondContact CG-O 3.48Å; P44-Y46 PolarHBondContact O-N 3.21Å | ||
| 45 | A | 60.8 | Low | 58 | Low | 29 Ų | 29 | 95 Ų | 95 | 24% | 0.24 | 52% | 0.52 | C | S | . | . | S | Bend | trans | -58.1 | -3.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | F43 N54 L55 | F43-A45 PolarHBondContact O-N 2.88Å; A45-N54 PolarHBondContact O-OD1 2.87Å; A45-L55 PolarHBondContact O-N 2.1Å |
| 46 | Y | 64.2 | Low | 59.9 | Low | 94 Ų | 94 | 92 Ų | 92 | 37% | 0.369 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 141.8 | 177.7 | -60.2 | -97.4 | 0 | 0 | 0 | 111.4 | P44 C51 K53 N75 | P44-Y46 WeakPolarHBondContact CB-O 3.18Å; P44-Y46 WeakPolarHBondContact CG-O 3.48Å; P44-Y46 PolarHBondContact O-N 3.21Å; Y46-C51 WeakPolarHBondContact CB-O 3.36Å; Y46-K53 CarbonylContact C-O 3.36Å; Y46-K53 WeakPolarHBondContact CA-O 3.43Å; Y46-K53 WeakPolarHBondContact CB-O 3.43Å; Y46-N75 PolarHBondContact OH-O 3.39Å; Y46-N75 VanDerWaalsContact OH-O 3.04Å |
| 47 | T | 63.8 | Low | 61.6 | Low | 76 Ų | 76 | 91 Ų | 91 | 47% | 0.466 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 164.7 | 175.3 | -174.7 | 0 | 0 | 0 | 0 | 110.3 | C51 E52 K53 | T47-C51 CarbonylContact O-C 3.44Å; T47-E52 PolarHBondContact O-N 2.74Å; T47-K53 HydrophobicContact CG2-CB 3.76Å; T47-K53 PolarHBondContact N-O 2.98Å; T47-K53 WeakPolarHBondContact O-CB 3.47Å; T47-K53 PolarHBondContact O-N 3.24Å |
| 48 | G | 63.8 | Low | 63.3 | Low | 25 Ų | 25 | 88.1 Ų | 88.1 | 26% | 0.258 | 48% | 0.479 | S | S | . | . | S | Bend | trans | 110.8 | 158.6 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | F50 C51 E52 | G48-F50 PolarHBondContact O-N 3.04Å; G48-F50 VanDerWaalsContact O-N 3.14Å; G48-C51 PolarHBondContact O-N 3.45Å; G48-E52 WeakPolarHBondContact CA-OE2 3.26Å |
| 49 | D | 61.8 | Low | 65.1 | Low | 137 Ų | 137 | 82.1 Ų | 82.1 | 73% | 0.733 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -19.9 | -176.2 | -66.1 | -32.4 | 0 | 0 | 0 | 112.4 | E52 | D49-E52 PolarHBondContact N-OE2 3.21Š|
| 50 | F | 65.9 | Low | 66.9 | Low | 152 Ų | 152 | 83.1 Ų | 83.1 | 67% | 0.667 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.4 | 20 | 175.2 | -57 | -81.7 | 0 | 0 | 0 | 111.8 | G48 E52 | G48-F50 PolarHBondContact O-N 3.04Å; G48-F50 VanDerWaalsContact O-N 3.14Å; F50-E52 WeakPolarHBondContact CA-OE2 3.33Å; F50-E52 WeakPolarHBondContact CB-OE2 3.39Å; F50-E52 PolarHBondContact N-OE2 3.04Å; F50-E52 PolarHBondContact O-N 3.19Å |
| 51 | C | 64.6 | Low | 68.7 | Low | 43 Ų | 43 | 81.7 Ų | 81.7 | 29% | 0.291 | 46% | 0.458 | S | S | . | . | S | Bend | trans | 52 | 42.2 | -178.3 | -75.8 | 0 | 0 | 0 | 0 | 111.8 | C36 Y46 T47 G48 | C36-C51 WeakPolarHBondContact CB-SG 3.18Å; C36-C51 WeakPolarHBondContact SG-CB 3.06Å; C36-C51 CovalentContact SG-SG 2.1Å; C36-C51 PolarHBondContact SG-SG 3.2Å; Y46-C51 WeakPolarHBondContact CB-O 3.36Å; T47-C51 CarbonylContact O-C 3.44Å; G48-C51 PolarHBondContact O-N 3.45Å |
| 52 | E | 71.5 | Confident | 70.5 | Confident | 101 Ų | 101 | 77.2 Ų | 77.2 | 47% | 0.472 | 43% | 0.43 | S | S | . | . | trans | -98.6 | -5.9 | -168.6 | 72.7 | -77.8 | -178 | 0 | 0 | 115.8 | T47 G48 D49 F50 | T47-E52 PolarHBondContact O-N 2.74Å; G48-E52 WeakPolarHBondContact CA-OE2 3.26Å; D49-E52 PolarHBondContact N-OE2 3.21Å; F50-E52 WeakPolarHBondContact CA-OE2 3.33Å; F50-E52 WeakPolarHBondContact CB-OE2 3.39Å; F50-E52 PolarHBondContact N-OE2 3.04Å; F50-E52 PolarHBondContact O-N 3.19Å | ||
| 53 | K | 71.5 | Confident | 71.9 | Confident | 131 Ų | 131 | 76.4 Ų | 76.4 | 57% | 0.57 | 42% | 0.418 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 132.5 | -178.5 | -61.4 | 176.6 | -178.1 | 171 | 0 | 110.3 | Y46 T47 | Y46-K53 CarbonylContact C-O 3.36Å; Y46-K53 WeakPolarHBondContact CA-O 3.43Å; Y46-K53 WeakPolarHBondContact CB-O 3.43Å; T47-K53 HydrophobicContact CG2-CB 3.76Å; T47-K53 PolarHBondContact N-O 2.98Å; T47-K53 WeakPolarHBondContact O-CB 3.47Å; T47-K53 PolarHBondContact O-N 3.24Å |
| 54 | N | 76 | Confident | 73.7 | Confident | 45 Ų | 45 | 73.4 Ų | 73.4 | 24% | 0.241 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.1 | 140.4 | 172.4 | -169.3 | 49.5 | 0 | 0 | 0 | 110.8 | A45 D73 T74 N75 | A45-N54 PolarHBondContact O-OD1 2.87Å; N54-D73 PolarHBondContact ND2-OD2 3.02Å; N54-T74 PolarHBondContact ND2-O 2.85Å; N54-N75 VanDerWaalsContact OD1-C 3.31Å; N54-N75 PolarHBondContact OD1-O 2.97Å |
| 55 | L | 77.4 | Confident | 75.1 | Confident | 22 Ų | 22 | 71 Ų | 71 | 12% | 0.115 | 40% | 0.395 | C | S | . | . | trans | -83.6 | 112.9 | 169.8 | 179.2 | 67.7 | 0 | 0 | 0 | 108.7 | F43 A45 E57 V62 | F43-L55 HydrophobicContact CB-CD2 4.47Å; A45-L55 PolarHBondContact O-N 2.1Å; L55-E57 HydrophobicContact CD2-CG 4.36Å; L55-E57 HydrophobicContact CG-CG 4.44Å; L55-E57 PolarHBondContact O-N 3.33Å; L55-V62 HydrophobicContact CD2-CG2 4.36Å | ||
| 56 | D | 83.5 | Confident | 76.2 | Confident | 61 Ų | 61 | 72.1 Ų | 72.1 | 33% | 0.326 | 40% | 0.399 | S | S | . | . | trans | -73.4 | 95.1 | 172.9 | -177.8 | -18 | 0 | 0 | 0 | 109.6 | C58 A59 H60 D73 | D56-C58 PolarHBondContact O-N 3.21Å; D56-C58 WeakPolarHBondContact OD1-CA 3.31Å; D56-C58 WeakPolarHBondContact OD1-CB 3.27Å; D56-C58 PolarHBondContact OD1-N 3.24Å; D56-C58 VanDerWaalsContact OD1-N 3.1Å; D56-A59 HydrophobicContact CB-CB 3.88Å; D56-A59 PolarHBondContact O-N 3Å; D56-A59 PolarHBondContact OD1-N 2.59Å; D56-A59 VanDerWaalsContact OD2-CB 3.25Å; D56-A59 WeakPolarHBondContact OD2-CB 3.4Å; D56-H60 WeakPolarHBondContact O-CB 3.25Å; D56-H60 PolarHBondContact O-CD2 3.21Å; D56-H60 VanDerWaalsContact O-CD2 3.26Å; D56-H60 PolarHBondContact O-N 3.02Å; D56-D73 WeakPolarHBondContact CA-OD1 3.41Å | ||
| 57 | E | 84.9 | Confident | 77.1 | Confident | 18 Ų | 18 | 72.7 Ų | 72.7 | 8% | 0.084 | 42% | 0.424 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -26.9 | -175.8 | -65.6 | 106.4 | 165.8 | 0 | 0 | 112.4 | L55 G61 V62 D73 S77 Y78 | L55-E57 HydrophobicContact CD2-CG 4.36Å; L55-E57 HydrophobicContact CG-CG 4.44Å; L55-E57 PolarHBondContact O-N 3.33Å; E57-G61 PolarHBondContact O-N 2.05Å; E57-G61 VanDerWaalsContact O-N 3.15Å; E57-V62 HydrophobicContact CB-CG2 3.7Å; E57-V62 HydrophobicContact CG-CG2 3.78Å; E57-V62 PolarHBondContact O-N 2.71Å; E57-D73 PolarHBondContact N-OD1 3.15Å; E57-S77 WeakPolarHBondContact OE2-CA 3.45Å; E57-Y78 HydrophobicContact CB-CD1 3.55Å; E57-Y78 HydrophobicContact CB-CE1 4.3Å; E57-Y78 HydrophobicContact CB-CG 4.09Å; E57-Y78 HydrophobicContact CG-CD1 3.82Å; E57-Y78 HydrophobicContact CG-CE1 4.44Å; E57-Y78 PolarHBondContact OE2-N 3.01Å |
| 58 | C | 85.5 | Confident | 78 | Confident | 34 Ų | 34 | 73 Ų | 73 | 23% | 0.23 | 44% | 0.442 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -41.9 | 176 | -58.7 | 0 | 0 | 0 | 0 | 111.6 | D56 C71 R72 D73 | D56-C58 PolarHBondContact O-N 3.21Å; D56-C58 WeakPolarHBondContact OD1-CA 3.31Å; D56-C58 WeakPolarHBondContact OD1-CB 3.27Å; D56-C58 PolarHBondContact OD1-N 3.24Å; D56-C58 VanDerWaalsContact OD1-N 3.1Å; C58-C71 VanDerWaalsContact CA-SG 3.54Å; C58-C71 HydrophobicContact CB-CB 3.83Å; C58-C71 WeakPolarHBondContact CB-SG 3.46Å; C58-C71 WeakPolarHBondContact SG-CB 3.11Å; C58-C71 CovalentContact SG-SG 2.05Å; C58-C71 PolarHBondContact SG-SG 2.82Å; C58-R72 PolarHBondContact SG-N 3.43Å; C58-R72 VanDerWaalsContact SG-N 3.38Å; C58-D73 PolarHBondContact SG-N 3.27Å; C58-D73 VanDerWaalsContact SG-N 3.43Å |
| 59 | A | 84.1 | Confident | 79 | Confident | 75 Ų | 75 | 77 Ų | 77 | 62% | 0.62 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -32.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113 | D56 G61 | D56-A59 HydrophobicContact CB-CB 3.88Å; D56-A59 PolarHBondContact O-N 3Å; D56-A59 PolarHBondContact OD1-N 2.59Å; D56-A59 VanDerWaalsContact OD2-CB 3.25Å; D56-A59 WeakPolarHBondContact OD2-CB 3.4Å; A59-G61 VanDerWaalsContact C-N 3.34Å |
| 60 | H | 80.3 | Confident | 80.4 | Confident | 127 Ų | 127 | 75.5 Ų | 75.5 | 59% | 0.588 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | -5.3 | 178.7 | -78.5 | -79.4 | 0 | 0 | 0 | 113.9 | D56 V62 | D56-H60 WeakPolarHBondContact O-CB 3.25Å; D56-H60 PolarHBondContact O-CD2 3.21Å; D56-H60 VanDerWaalsContact O-CD2 3.26Å; D56-H60 PolarHBondContact O-N 3.02Å; H60-V62 HydrophobicContact CB-CG1 4.41Å; H60-V62 HydrophobicContact CB-CG2 3.92Å; H60-V62 PolarHBondContact O-N 3.34Å |
| 61 | G | 80.4 | Confident | 81.5 | Confident | 55 Ų | 55 | 69.6 Ų | 69.6 | 57% | 0.567 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.1 | 26.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | E57 A59 | E57-G61 PolarHBondContact O-N 2.05Å; E57-G61 VanDerWaalsContact O-N 3.15Å; A59-G61 VanDerWaalsContact C-N 3.34Å |
| 62 | V | 81.3 | Confident | 82.6 | Confident | 70 Ų | 70 | 72.6 Ų | 72.6 | 42% | 0.424 | 42% | 0.42 | S | S | . | . | trans | -103.7 | 29.1 | -179.2 | -65.2 | 0 | 0 | 0 | 0 | 111.8 | L55 E57 H60 | L55-V62 HydrophobicContact CD2-CG2 4.36Å; E57-V62 HydrophobicContact CB-CG2 3.7Å; E57-V62 HydrophobicContact CG-CG2 3.78Å; E57-V62 PolarHBondContact O-N 2.71Å; H60-V62 HydrophobicContact CB-CG1 4.41Å; H60-V62 HydrophobicContact CB-CG2 3.92Å; H60-V62 PolarHBondContact O-N 3.34Å | ||
| 63 | H | 82.5 | Confident | 83.3 | Confident | 61 Ų | 61 | 70.4 Ų | 70.4 | 28% | 0.282 | 41% | 0.412 | S | S | . | . | trans | -104 | 153.9 | 176.3 | 65.6 | 79 | 0 | 0 | 0 | 112.4 | C65 C71 Y78 | H63-C65 PolarHBondContact ND1-N 3.38Å; H63-C71 VanDerWaalsContact CB-SG 3.58Å; H63-C71 VanDerWaalsContact CG-SG 3.54Å; H63-Y78 HydrophobicContact CB-CD1 4.33Å; H63-Y78 HydrophobicContact CB-CD2 3.61Å; H63-Y78 HydrophobicContact CB-CE1 4.29Å; H63-Y78 HydrophobicContact CB-CE2 3.59Å; H63-Y78 HydrophobicContact CB-CG 4Å | ||
| 64 | N | 86.6 | Confident | 83.8 | Confident | 117 Ų | 117 | 66.5 Ų | 66.5 | 63% | 0.626 | 40% | 0.399 | S | S | * | . | trans | -104.3 | 25.4 | 178.4 | -71.3 | -29.2 | 0 | 0 | 0 | 113.9 | Y78 | N64-Y78 PolarHBondContact N-OH 3.33Š| ||
| 65 | C | 87.3 | Confident | 83.8 | Confident | 18 Ų | 18 | 70.7 Ų | 70.7 | 12% | 0.122 | 42% | 0.421 | C | S | . | . | P | Polyproline II helix | trans | -61.5 | 136.4 | 175.5 | -57 | 0 | 0 | 0 | 0 | 113.2 | H63 R69 C80 | H63-C65 PolarHBondContact ND1-N 3.38Å; C65-R69 HydrophobicContact CB-CB 4.5Å; C65-C80 WeakPolarHBondContact CA-SG 3.16Å; C65-C80 HydrophobicContact CB-CB 3.71Å; C65-C80 WeakPolarHBondContact CB-SG 3.45Å; C65-C80 WeakPolarHBondContact SG-CB 3.49Å; C65-C80 CovalentContact SG-SG 2.02Å; C65-C80 PolarHBondContact SG-SG 3.01Å |
| 66 | P | 84.4 | Confident | 83.5 | Confident | 52 Ų | 52 | 74.2 Ų | 74.2 | 34% | 0.338 | 44% | 0.444 | S | S | . | . | P | Polyproline II helix | trans | -58.8 | 150.3 | 174.1 | -21.8 | 31.5 | 0 | 0 | 0 | 111.9 | G68 R69 N90 C91 | P66-G68 PolarHBondContact O-N 3.1Å; P66-R69 HydrophobicContact CB-CG 3.97Å; P66-R69 HydrophobicContact CG-CG 4.21Å; P66-R69 WeakPolarHBondContact O-CB 3.14Å; P66-R69 PolarHBondContact O-N 3.3Å; P66-N90 VanDerWaalsContact CD-O 3.3Å; P66-N90 WeakPolarHBondContact CD-O 3.18Å; P66-N90 WeakPolarHBondContact CG-O 3.2Å; P66-C91 HydrophobicContact CG-CB 3.98Å |
| 67 | A | 82.3 | Confident | 83.2 | Confident | 106 Ų | 106 | 73.4 Ų | 73.4 | 88% | 0.876 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | 124.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 68 | G | 81.9 | Confident | 83.3 | Confident | 82 Ų | 82 | 74 Ų | 74 | 85% | 0.845 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.2 | 3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | P66 | P66-G68 PolarHBondContact O-N 3.1Š|
| 69 | R | 86.4 | Confident | 83.4 | Confident | 111 Ų | 111 | 76.8 Ų | 76.8 | 42% | 0.419 | 45% | 0.451 | S | S | . | . | P | Polyproline II helix | trans | -92.9 | 143.1 | 172 | -58.3 | -64.7 | 151.3 | -165.8 | -3.4 | 111 | C65 P66 V81 A83 | C65-R69 HydrophobicContact CB-CB 4.5Å; P66-R69 HydrophobicContact CB-CG 3.97Å; P66-R69 HydrophobicContact CG-CG 4.21Å; P66-R69 WeakPolarHBondContact O-CB 3.14Å; P66-R69 PolarHBondContact O-N 3.3Å; R69-V81 WeakPolarHBondContact CB-O 3.42Å; R69-V81 WeakPolarHBondContact CD-O 2.95Å; R69-A83 VanDerWaalsContact NH1-CB 3.28Å |
| 70 | E | 89.5 | Confident | 83.7 | Confident | 104 Ų | 104 | 73.5 Ų | 73.5 | 49% | 0.486 | 42% | 0.423 | S | S | . | . | P | Polyproline II helix | trans | -75.1 | 125.4 | 178.3 | -177.3 | -170.9 | 142 | 0 | 0 | 109.5 | R72 C80 V81 | E70-R72 IonicContact OE1-CZ 3.42Å; E70-R72 IonicContact OE1-NE 2.82Å; E70-R72 PolarHBondContact OE1-NE 2.99Å; E70-R72 IonicContact OE1-NH2 3.11Å; E70-R72 PolarHBondContact OE1-NH2 3.26Å; E70-R72 VanDerWaalsContact OE1-NH2 3.11Å; E70-R72 IonicContact OE2-NH2 3.95Å; E70-C80 CarbonylContact O-C 3.54Å; E70-C80 WeakPolarHBondContact O-CA 3.43Å; E70-V81 HydrophobicContact CB-CB 4.05Å; E70-V81 HydrophobicContact CB-CG2 3.95Å; E70-V81 HydrophobicContact CG-CG2 4.29Å; E70-V81 PolarHBondContact O-N 3.44Å |
| 71 | C | 89.3 | Confident | 84.1 | Confident | 28 Ų | 28 | 69.8 Ų | 69.8 | 19% | 0.189 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 137 | 171.8 | -176.1 | 0 | 0 | 0 | 0 | 109.5 | C58 H63 | C58-C71 VanDerWaalsContact CA-SG 3.54Å; C58-C71 HydrophobicContact CB-CB 3.83Å; C58-C71 WeakPolarHBondContact CB-SG 3.46Å; C58-C71 WeakPolarHBondContact SG-CB 3.11Å; C58-C71 CovalentContact SG-SG 2.05Å; C58-C71 PolarHBondContact SG-SG 2.82Å; H63-C71 VanDerWaalsContact CB-SG 3.58Å; H63-C71 VanDerWaalsContact CG-SG 3.54Å |
| 72 | R | 88.9 | Confident | 84.5 | Confident | 106 Ų | 106 | 69 Ų | 69 | 40% | 0.4 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 121.6 | 174.7 | -70.5 | -174 | 175.7 | 175 | 4.5 | 111 | C58 E70 Y78 Y79 V81 | C58-R72 PolarHBondContact SG-N 3.43Å; C58-R72 VanDerWaalsContact SG-N 3.38Å; E70-R72 IonicContact OE1-CZ 3.42Å; E70-R72 IonicContact OE1-NE 2.82Å; E70-R72 PolarHBondContact OE1-NE 2.99Å; E70-R72 IonicContact OE1-NH2 3.11Å; E70-R72 PolarHBondContact OE1-NH2 3.26Å; E70-R72 VanDerWaalsContact OE1-NH2 3.11Å; E70-R72 IonicContact OE2-NH2 3.95Å; R72-Y78 CarbonylContact O-C 3.48Å; R72-Y78 VanDerWaalsContact O-CA 3.27Å; R72-Y78 WeakPolarHBondContact O-CA 3.48Å; R72-Y79 HydrophobicContact CB-CD1 4.02Å; R72-Y79 HydrophobicContact CB-CD2 4.5Å; R72-Y79 HydrophobicContact CB-CE1 3.54Å; R72-Y79 HydrophobicContact CB-CE2 4.07Å; R72-Y79 HydrophobicContact CB-CG 4.49Å; R72-Y79 VanDerWaalsContact CD-CZ 3.45Å; R72-Y79 WeakPolarHBondContact CD-OH 3.29Å; R72-Y79 HydrophobicContact CG-CE2 4.42Å; R72-Y79 PolarHBondContact N-O 3.19Å; R72-Y79 PolarHBondContact NH1-OH 2.92Å; R72-Y79 PolarHBondContact O-N 2.81Å; R72-V81 HydrophobicContact CG-CG2 4.28Å |
| 73 | D | 84.8 | Confident | 84.6 | Confident | 56 Ų | 56 | 66.9 Ų | 66.9 | 30% | 0.299 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 144.4 | 177.2 | -168.2 | 60.3 | 0 | 0 | 0 | 111.3 | N54 D56 E57 C58 | N54-D73 PolarHBondContact ND2-OD2 3.02Å; D56-D73 WeakPolarHBondContact CA-OD1 3.41Å; E57-D73 PolarHBondContact N-OD1 3.15Å; C58-D73 PolarHBondContact SG-N 3.27Å; C58-D73 VanDerWaalsContact SG-N 3.43Å |
| 74 | T | 82.2 | Confident | 84.6 | Confident | 49 Ų | 49 | 72 Ų | 72 | 30% | 0.301 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 158.7 | 174.3 | 73.2 | 0 | 0 | 0 | 0 | 108.9 | N54 T76 S77 Y79 | N54-T74 PolarHBondContact ND2-O 2.85Å; T74-T76 PolarHBondContact O-N 3.47Å; T74-S77 CarbonylContact C-O 3.58Å; T74-S77 VanDerWaalsContact CA-O 3.27Å; T74-S77 WeakPolarHBondContact CA-O 3.03Å; T74-S77 VanDerWaalsContact CB-O 3.31Å; T74-S77 WeakPolarHBondContact CB-O 3.27Å; T74-S77 PolarHBondContact N-O 2.82Å; T74-S77 PolarHBondContact O-N 2.89Å; T74-S77 VanDerWaalsContact OG1-C 3.32Å; T74-S77 PolarHBondContact OG1-N 3.11Å; T74-S77 PolarHBondContact OG1-O 2.82Å; T74-Y79 HydrophobicContact CG2-CD1 3.76Å; T74-Y79 HydrophobicContact CG2-CE1 3.81Å |
| 75 | N | 75.6 | Confident | 84.4 | Confident | 133 Ų | 133 | 66.9 Ų | 66.9 | 71% | 0.711 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -2.9 | -178.7 | -78.2 | 3.2 | 0 | 0 | 0 | 115.9 | Y46 N54 | Y46-N75 PolarHBondContact OH-O 3.39Å; Y46-N75 VanDerWaalsContact OH-O 3.04Å; N54-N75 VanDerWaalsContact OD1-C 3.31Å; N54-N75 PolarHBondContact OD1-O 2.97Å |
| 76 | T | 71.3 | Confident | 84.4 | Confident | 95 Ų | 95 | 69.7 Ų | 69.7 | 58% | 0.583 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -139 | -9.1 | -176.9 | 52.4 | 0 | 0 | 0 | 0 | 114.3 | T74 | T74-T76 PolarHBondContact O-N 3.47Š|
| 77 | S | 78.6 | Confident | 84.5 | Confident | 45 Ų | 45 | 70.2 Ų | 70.2 | 32% | 0.315 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -179.5 | -170.8 | -174.3 | -159.7 | 0 | 0 | 0 | 0 | 111 | E57 T74 | E57-S77 WeakPolarHBondContact OE2-CA 3.45Å; T74-S77 CarbonylContact C-O 3.58Å; T74-S77 VanDerWaalsContact CA-O 3.27Å; T74-S77 WeakPolarHBondContact CA-O 3.03Å; T74-S77 VanDerWaalsContact CB-O 3.31Å; T74-S77 WeakPolarHBondContact CB-O 3.27Å; T74-S77 PolarHBondContact N-O 2.82Å; T74-S77 PolarHBondContact O-N 2.89Å; T74-S77 VanDerWaalsContact OG1-C 3.32Å; T74-S77 PolarHBondContact OG1-N 3.11Å; T74-S77 PolarHBondContact OG1-O 2.82Å |
| 78 | Y | 86.1 | Confident | 84.5 | Confident | 30 Ų | 30 | 66.2 Ų | 66.2 | 12% | 0.118 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 166.6 | 169.2 | 67 | -82.5 | 0 | 0 | 0 | 111.3 | E57 H63 N64 R72 I89 N90 | E57-Y78 HydrophobicContact CB-CD1 3.55Å; E57-Y78 HydrophobicContact CB-CE1 4.3Å; E57-Y78 HydrophobicContact CB-CG 4.09Å; E57-Y78 HydrophobicContact CG-CD1 3.82Å; E57-Y78 HydrophobicContact CG-CE1 4.44Å; E57-Y78 PolarHBondContact OE2-N 3.01Å; H63-Y78 HydrophobicContact CB-CD1 4.33Å; H63-Y78 HydrophobicContact CB-CD2 3.61Å; H63-Y78 HydrophobicContact CB-CE1 4.29Å; H63-Y78 HydrophobicContact CB-CE2 3.59Å; H63-Y78 HydrophobicContact CB-CG 4Å; N64-Y78 PolarHBondContact N-OH 3.33Å; R72-Y78 CarbonylContact O-C 3.48Å; R72-Y78 VanDerWaalsContact O-CA 3.27Å; R72-Y78 WeakPolarHBondContact O-CA 3.48Å; Y78-I89 WeakPolarHBondContact O-CG2 3.32Å; Y78-N90 WeakPolarHBondContact CE2-OD1 3.3Å; Y78-N90 PolarHBondContact OH-OD1 3.19Å |
| 79 | Y | 87.9 | Confident | 84.7 | Confident | 92 Ų | 92 | 67.2 Ų | 67.2 | 36% | 0.361 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 158.8 | 163.4 | 70 | -82.6 | 0 | 0 | 0 | 111.1 | R72 T74 | R72-Y79 HydrophobicContact CB-CD1 4.02Å; R72-Y79 HydrophobicContact CB-CD2 4.5Å; R72-Y79 HydrophobicContact CB-CE1 3.54Å; R72-Y79 HydrophobicContact CB-CE2 4.07Å; R72-Y79 HydrophobicContact CB-CG 4.49Å; R72-Y79 VanDerWaalsContact CD-CZ 3.45Å; R72-Y79 WeakPolarHBondContact CD-OH 3.29Å; R72-Y79 HydrophobicContact CG-CE2 4.42Å; R72-Y79 PolarHBondContact N-O 3.19Å; R72-Y79 PolarHBondContact NH1-OH 2.92Å; R72-Y79 PolarHBondContact O-N 2.81Å; T74-Y79 HydrophobicContact CG2-CD1 3.76Å; T74-Y79 HydrophobicContact CG2-CE1 3.81Å |
| 80 | C | 90.3 | Very high | 84.6 | Confident | 6 Ų | 6 | 63.9 Ų | 63.9 | 4% | 0.041 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 139.9 | -178.3 | -49.4 | 0 | 0 | 0 | 0 | 110.7 | C65 E70 C82 I89 C91 | C65-C80 WeakPolarHBondContact CA-SG 3.16Å; C65-C80 HydrophobicContact CB-CB 3.71Å; C65-C80 WeakPolarHBondContact CB-SG 3.45Å; C65-C80 WeakPolarHBondContact SG-CB 3.49Å; C65-C80 CovalentContact SG-SG 2.02Å; C65-C80 PolarHBondContact SG-SG 3.01Å; E70-C80 CarbonylContact O-C 3.54Å; E70-C80 WeakPolarHBondContact O-CA 3.43Å; C80-C82 PolarHBondContact O-N 3.14Å; C80-I89 VanDerWaalsContact CB-O 3.29Å; C80-I89 WeakPolarHBondContact CB-O 3.03Å; C80-I89 PolarHBondContact N-O 3.15Å; C80-I89 PolarHBondContact SG-O 3.06Å; C80-C91 VanDerWaalsContact CB-SG 3.58Å |
| 81 | V | 89.5 | Confident | 84.5 | Confident | 50 Ų | 50 | 59.3 Ų | 59.3 | 30% | 0.303 | 32% | 0.324 | S | S | . | . | trans | -79.6 | 109.2 | 172.5 | -177.4 | 0 | 0 | 0 | 0 | 108.9 | R69 E70 R72 | R69-V81 WeakPolarHBondContact CB-O 3.42Å; R69-V81 WeakPolarHBondContact CD-O 2.95Å; E70-V81 HydrophobicContact CB-CB 4.05Å; E70-V81 HydrophobicContact CB-CG2 3.95Å; E70-V81 HydrophobicContact CG-CG2 4.29Å; E70-V81 PolarHBondContact O-N 3.44Å; R72-V81 HydrophobicContact CG-CG2 4.28Å | ||
| 82 | C | 87.5 | Confident | 84.3 | Confident | 37 Ų | 37 | 62.8 Ų | 62.8 | 25% | 0.25 | 34% | 0.344 | C | S | . | . | P | Polyproline II helix | trans | -78.7 | 156.4 | -173 | -53.6 | 0 | 0 | 0 | 0 | 113.4 | C80 R86 G88 C91 | C80-C82 PolarHBondContact O-N 3.14Å; C82-R86 HydrophobicContact CB-CB 4.12Å; C82-R86 WeakPolarHBondContact CB-O 3.37Å; C82-G88 PolarHBondContact SG-O 2.04Å; C82-C91 WeakPolarHBondContact CA-SG 3.41Å; C82-C91 HydrophobicContact CB-CB 3.71Å; C82-C91 WeakPolarHBondContact CB-SG 3.13Å; C82-C91 PolarHBondContact N-SG 3.21Å; C82-C91 VanDerWaalsContact N-SG 3.44Å; C82-C91 WeakPolarHBondContact SG-CA 3.05Å; C82-C91 WeakPolarHBondContact SG-CB 3.21Å; C82-C91 CovalentContact SG-SG 2.04Å; C82-C91 PolarHBondContact SG-SG 3.43Å |
| 83 | A | 83.2 | Confident | 84.2 | Confident | 27 Ų | 27 | 63.1 Ų | 63.1 | 22% | 0.223 | 35% | 0.35 | C | S | . | . | P | Polyproline II helix | trans | -70.8 | 159.8 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110 | R69 G85 R86 | R69-A83 VanDerWaalsContact NH1-CB 3.28Å; A83-G85 PolarHBondContact O-N 2.02Å; A83-R86 PolarHBondContact O-N 2.82Å; A83-R86 VanDerWaalsContact O-N 3.09Å |
| 84 | D | 83.2 | Confident | 84.4 | Confident | 167 Ų | 167 | 62.8 Ų | 62.8 | 89% | 0.893 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52 | 133.8 | 162.9 | -58.7 | -25.6 | 0 | 0 | 0 | 109.5 | ||
| 85 | G | 81.6 | Confident | 84.6 | Confident | 10 Ų | 10 | 61.4 Ų | 61.4 | 10% | 0.103 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 87.2 | 4.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | A83 V95 | A83-G85 PolarHBondContact O-N 2.02Å; G85-V95 PolarHBondContact O-N 2.74Å |
| 86 | R | 87.6 | Confident | 85.2 | Confident | 77 Ų | 77 | 57.6 Ų | 57.6 | 29% | 0.291 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 145.1 | 178.3 | -64.7 | -69.8 | -176.7 | -174.3 | -11.9 | 112.6 | C82 A83 C91 E93 N115 | C82-R86 HydrophobicContact CB-CB 4.12Å; C82-R86 WeakPolarHBondContact CB-O 3.37Å; A83-R86 PolarHBondContact O-N 2.82Å; A83-R86 VanDerWaalsContact O-N 3.09Å; R86-C91 HydrophobicContact CB-CB 4.39Å; R86-E93 CarbonylContact C-O 3.57Å; R86-E93 VanDerWaalsContact CA-O 3.3Å; R86-E93 WeakPolarHBondContact CA-O 3Å; R86-E93 WeakPolarHBondContact CD-O 3.3Å; R86-N115 PolarHBondContact NH1-OD1 3.46Å; R86-N115 PolarHBondContact NH2-OD1 3.01Å |
| 87 | T | 85.7 | Confident | 86.1 | Confident | 63 Ų | 63 | 53.9 Ų | 53.9 | 39% | 0.387 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 178.3 | 178 | -165.9 | 0 | 0 | 0 | 0 | 112.4 | C91 T92 E93 V95 | T87-C91 CarbonylContact O-C 3.11Å; T87-C91 WeakPolarHBondContact O-CA 3.42Å; T87-T92 PolarHBondContact O-N 3.36Å; T87-E93 HydrophobicContact CG2-CB 3.53Å; T87-E93 PolarHBondContact N-O 3Å; T87-E93 WeakPolarHBondContact O-CB 3.42Å; T87-E93 PolarHBondContact O-N 2.83Å; T87-V95 HydrophobicContact CG2-CG2 4.3Å |
| 88 | G | 84.4 | Confident | 86.5 | Confident | 22 Ų | 22 | 53.4 Ų | 53.4 | 23% | 0.227 | 29% | 0.292 | C | S | . | . | S | Bend | trans | 89.6 | 163.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | C82 N90 C91 | C82-G88 PolarHBondContact SG-O 2.04Å; G88-N90 PolarHBondContact O-N 3.44Å; G88-C91 PolarHBondContact O-N 3.34Å |
| 89 | I | 84.5 | Confident | 86.6 | Confident | 103 Ų | 103 | 60.1 Ų | 60.1 | 53% | 0.528 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | -37.2 | -174.9 | -62.9 | 171.5 | 0 | 0 | 0 | 111.8 | Y78 C80 | Y78-I89 WeakPolarHBondContact O-CG2 3.32Å; C80-I89 VanDerWaalsContact CB-O 3.29Å; C80-I89 WeakPolarHBondContact CB-O 3.03Å; C80-I89 PolarHBondContact N-O 3.15Å; C80-I89 PolarHBondContact SG-O 3.06Å |
| 90 | N | 84.9 | Confident | 86.5 | Confident | 42 Ų | 42 | 61.7 Ų | 61.7 | 23% | 0.225 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | 13.1 | 179.2 | -63 | -33.7 | 0 | 0 | 0 | 113.2 | P66 Y78 G88 T92 | P66-N90 VanDerWaalsContact CD-O 3.3Å; P66-N90 WeakPolarHBondContact CD-O 3.18Å; P66-N90 WeakPolarHBondContact CG-O 3.2Å; Y78-N90 WeakPolarHBondContact CE2-OD1 3.3Å; Y78-N90 PolarHBondContact OH-OD1 3.19Å; G88-N90 PolarHBondContact O-N 3.44Å; N90-T92 HydrophobicContact CB-CG2 4.11Å; N90-T92 PolarHBondContact O-N 3.09Å; N90-T92 VanDerWaalsContact O-N 3.15Å |
| 91 | C | 87.4 | Confident | 86.1 | Confident | 8 Ų | 8 | 63.9 Ų | 63.9 | 5% | 0.054 | 36% | 0.358 | C | S | . | . | S | Bend | trans | 55.2 | 30.3 | -179.1 | -51.6 | 0 | 0 | 0 | 0 | 114.8 | P66 C80 C82 R86 T87 G88 | P66-C91 HydrophobicContact CG-CB 3.98Å; C80-C91 VanDerWaalsContact CB-SG 3.58Å; C82-C91 WeakPolarHBondContact CA-SG 3.41Å; C82-C91 HydrophobicContact CB-CB 3.71Å; C82-C91 WeakPolarHBondContact CB-SG 3.13Å; C82-C91 PolarHBondContact N-SG 3.21Å; C82-C91 VanDerWaalsContact N-SG 3.44Å; C82-C91 WeakPolarHBondContact SG-CA 3.05Å; C82-C91 WeakPolarHBondContact SG-CB 3.21Å; C82-C91 CovalentContact SG-SG 2.04Å; C82-C91 PolarHBondContact SG-SG 3.43Å; R86-C91 HydrophobicContact CB-CB 4.39Å; T87-C91 CarbonylContact O-C 3.11Å; T87-C91 WeakPolarHBondContact O-CA 3.42Å; G88-C91 PolarHBondContact O-N 3.34Å |
| 92 | T | 85.7 | Confident | 85.8 | Confident | 100 Ų | 100 | 65.2 Ų | 65.2 | 61% | 0.613 | 37% | 0.367 | S | S | * | . | trans | -91.9 | -17.1 | -178.2 | 48.3 | 0 | 0 | 0 | 0 | 113.1 | T87 N90 | T87-T92 PolarHBondContact O-N 3.36Å; N90-T92 HydrophobicContact CB-CG2 4.11Å; N90-T92 PolarHBondContact O-N 3.09Å; N90-T92 VanDerWaalsContact O-N 3.15Å | ||
| 93 | E | 86.9 | Confident | 85.6 | Confident | 114 Ų | 114 | 68.1 Ų | 68.1 | 53% | 0.533 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 142.4 | -178.5 | -62.9 | 169.1 | -172.7 | 0 | 0 | 109.1 | R86 T87 | R86-E93 CarbonylContact C-O 3.57Å; R86-E93 VanDerWaalsContact CA-O 3.3Å; R86-E93 WeakPolarHBondContact CA-O 3Å; R86-E93 WeakPolarHBondContact CD-O 3.3Å; T87-E93 HydrophobicContact CG2-CB 3.53Å; T87-E93 PolarHBondContact N-O 3Å; T87-E93 WeakPolarHBondContact O-CB 3.42Å; T87-E93 PolarHBondContact O-N 2.83Å |
| 94 | D | 88.8 | Confident | 85.7 | Confident | 49 Ų | 49 | 73.2 Ų | 73.2 | 26% | 0.262 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 142 | 176.3 | -171 | 53.8 | 0 | 0 | 0 | 109.7 | N113 G116 | D94-N113 PolarHBondContact OD2-ND2 2.75Å; D94-G116 WeakPolarHBondContact OD1-CA 3.36Å; D94-G116 PolarHBondContact OD1-N 3.4Å |
| 95 | V | 86.3 | Confident | 85.8 | Confident | 20 Ų | 20 | 66.4 Ų | 66.4 | 12% | 0.121 | 36% | 0.357 | C | S | . | . | P | Polyproline II helix | trans | -86.2 | 119.8 | 169.5 | 174.3 | 0 | 0 | 0 | 0 | 107.2 | G85 T87 E97 E100 | G85-V95 PolarHBondContact O-N 2.74Å; T87-V95 HydrophobicContact CG2-CG2 4.3Å; V95-E97 HydrophobicContact CG1-CG 4.22Å; V95-E97 PolarHBondContact O-N 2.92Å; V95-E97 VanDerWaalsContact O-N 3.09Å; V95-E100 WeakPolarHBondContact CG1-OE2 3.45Å |
| 96 | D | 88.7 | Confident | 85.9 | Confident | 52 Ų | 52 | 67.1 Ų | 67.1 | 28% | 0.278 | 36% | 0.361 | S | S | . | . | trans | -79.4 | 91.6 | 171.7 | -166.4 | -39.6 | 0 | 0 | 0 | 109.4 | C98 E99 E100 N113 | D96-C98 PolarHBondContact O-N 3.03Å; D96-C98 WeakPolarHBondContact OD1-CA 3.48Å; D96-C98 WeakPolarHBondContact OD1-CB 3.46Å; D96-C98 PolarHBondContact OD1-N 3.45Å; D96-E99 HydrophobicContact CB-CB 3.94Å; D96-E99 PolarHBondContact O-N 3.38Å; D96-E99 PolarHBondContact OD1-N 3.05Å; D96-E100 PolarHBondContact O-N 3.23Å; D96-N113 WeakPolarHBondContact CA-ND2 3.12Å; D96-N113 PolarHBondContact OD2-ND2 2.94Å | ||
| 97 | E | 89.1 | Confident | 85.7 | Confident | 17 Ų | 17 | 70.6 Ų | 70.6 | 8% | 0.079 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -64.4 | -26.6 | -177.8 | -60.3 | 95.6 | 167.1 | 0 | 0 | 112.1 | V95 G101 T102 Y103 N113 Y118 | V95-E97 HydrophobicContact CG1-CG 4.22Å; V95-E97 PolarHBondContact O-N 2.92Å; V95-E97 VanDerWaalsContact O-N 3.09Å; E97-G101 WeakPolarHBondContact O-CA 3.32Å; E97-G101 PolarHBondContact O-N 3.19Å; E97-T102 WeakPolarHBondContact CA-OG1 3.36Å; E97-T102 WeakPolarHBondContact CB-OG1 3.5Å; E97-T102 WeakPolarHBondContact CG-OG1 3.43Å; E97-T102 PolarHBondContact O-N 3.09Å; E97-Y103 WeakPolarHBondContact O-CD1 3.34Å; E97-N113 PolarHBondContact OE2-OD1 2.91Å; E97-Y118 HydrophobicContact CB-CD1 3.83Å; E97-Y118 HydrophobicContact CB-CG 4.35Å; E97-Y118 HydrophobicContact CG-CD1 3.95Å |
| 98 | C | 88.2 | Confident | 85.4 | Confident | 36 Ų | 36 | 70.4 Ų | 70.4 | 24% | 0.243 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -72.9 | -33 | 177.7 | -57.5 | 0 | 0 | 0 | 0 | 112.1 | D96 C111 K112 N113 | D96-C98 PolarHBondContact O-N 3.03Å; D96-C98 WeakPolarHBondContact OD1-CA 3.48Å; D96-C98 WeakPolarHBondContact OD1-CB 3.46Å; D96-C98 PolarHBondContact OD1-N 3.45Å; C98-C111 HydrophobicContact CB-CB 3.96Å; C98-C111 WeakPolarHBondContact CB-SG 3.39Å; C98-C111 WeakPolarHBondContact SG-CB 3.47Å; C98-C111 CovalentContact SG-SG 2.05Å; C98-C111 PolarHBondContact SG-SG 2.73Å; C98-K112 VanDerWaalsContact SG-C 3.53Å; C98-N113 PolarHBondContact SG-N 3.17Å |
| 99 | E | 87.3 | Confident | 85.5 | Confident | 170 Ų | 170 | 70.1 Ų | 70.1 | 79% | 0.794 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -79.8 | -40 | 174.4 | -166.4 | 177 | -178.5 | 0 | 0 | 111.9 | D96 G101 | D96-E99 HydrophobicContact CB-CB 3.94Å; D96-E99 PolarHBondContact O-N 3.38Å; D96-E99 PolarHBondContact OD1-N 3.05Å; E99-G101 VanDerWaalsContact C-N 3.29Å; E99-G101 PolarHBondContact O-N 2.99Å |
| 100 | E | 84.7 | Confident | 85.6 | Confident | 126 Ų | 126 | 69.7 Ų | 69.7 | 59% | 0.589 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -74.9 | -17.2 | 177.6 | -68.2 | -166.3 | 175.8 | 0 | 0 | 113.5 | V95 D96 T102 | V95-E100 WeakPolarHBondContact CG1-OE2 3.45Å; D96-E100 PolarHBondContact O-N 3.23Å; E100-T102 VanDerWaalsContact C-N 3.35Å; E100-T102 HydrophobicContact CB-CG2 4.08Å |
| 101 | G | 82.6 | Confident | 85.8 | Confident | 51 Ų | 51 | 69 Ų | 69 | 53% | 0.526 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74 | 24.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | E97 E99 | E97-G101 WeakPolarHBondContact O-CA 3.32Å; E97-G101 PolarHBondContact O-N 3.19Å; E99-G101 VanDerWaalsContact C-N 3.29Å; E99-G101 PolarHBondContact O-N 2.99Å |
| 102 | T | 83.5 | Confident | 85.9 | Confident | 79 Ų | 79 | 73.6 Ų | 73.6 | 49% | 0.485 | 39% | 0.388 | S | S | . | . | trans | -93.8 | 6 | -179.1 | 53.5 | 0 | 0 | 0 | 0 | 113.2 | E97 E100 | E97-T102 WeakPolarHBondContact CA-OG1 3.36Å; E97-T102 WeakPolarHBondContact CB-OG1 3.5Å; E97-T102 WeakPolarHBondContact CG-OG1 3.43Å; E97-T102 PolarHBondContact O-N 3.09Å; E100-T102 VanDerWaalsContact C-N 3.35Å; E100-T102 HydrophobicContact CB-CG2 4.08Å | ||
| 103 | Y | 82.9 | Confident | 86 | Confident | 97 Ų | 97 | 71.2 Ų | 71.2 | 38% | 0.38 | 37% | 0.372 | S | S | . | . | trans | -80 | 147.9 | 178.2 | 67.5 | -88.1 | 0 | 0 | 0 | 113.5 | E97 C105 C111 | E97-Y103 WeakPolarHBondContact O-CD1 3.34Å; Y103-C105 HydrophobicContact CD2-CB 3.57Å; Y103-C105 HydrophobicContact CE2-CB 3.9Å; Y103-C111 HydrophobicContact CD1-CB 4.4Å; Y103-C111 HydrophobicContact CD2-CB 4.02Å; Y103-C111 HydrophobicContact CE1-CB 4.49Å; Y103-C111 HydrophobicContact CE2-CB 4.15Å; Y103-C111 HydrophobicContact CG-CB 4.16Å | ||
| 104 | E | 85.3 | Confident | 85.9 | Confident | 134 Ų | 134 | 68.7 Ų | 68.7 | 63% | 0.626 | 36% | 0.364 | S | S | * | . | trans | -105.7 | 61.2 | 176 | -60.5 | -177.4 | 164.1 | 0 | 0 | 111.1 | Y118 H130 | E104-Y118 WeakPolarHBondContact CB-OH 3.18Å; E104-Y118 VanDerWaalsContact N-CZ 3.32Å; E104-Y118 PolarHBondContact N-OH 2.89Å; E104-H130 PolarHBondContact O-ND1 2.65Å; E104-H130 IonicContact OE2-CE1 3.74Å | ||
| 105 | C | 85.7 | Confident | 85.8 | Confident | 24 Ų | 24 | 72.2 Ų | 72.2 | 16% | 0.162 | 38% | 0.383 | C | S | . | . | trans | -102 | 141.3 | 176.9 | -62.9 | 0 | 0 | 0 | 0 | 110.9 | Y103 S109 C120 | Y103-C105 HydrophobicContact CD2-CB 3.57Å; Y103-C105 HydrophobicContact CE2-CB 3.9Å; C105-S109 WeakPolarHBondContact CB-OG 3.39Å; C105-C120 WeakPolarHBondContact CA-SG 3.36Å; C105-C120 HydrophobicContact CB-CB 3.85Å; C105-C120 WeakPolarHBondContact CB-SG 3.13Å; C105-C120 VanDerWaalsContact SG-CA 3.57Å; C105-C120 WeakPolarHBondContact SG-CB 3.49Å; C105-C120 CovalentContact SG-SG 2.03Å; C105-C120 PolarHBondContact SG-SG 2.84Å | ||
| 106 | S | 83.1 | Confident | 85.5 | Confident | 25 Ų | 25 | 72.6 Ų | 72.6 | 18% | 0.175 | 39% | 0.391 | C | S | . | . | trans | -60.7 | 156.6 | 169.9 | 170.4 | 0 | 0 | 0 | 0 | 111.1 | H108 S109 H130 C131 | S106-H108 PolarHBondContact O-N 2.78Å; S106-H108 PolarHBondContact OG-N 2.05Å; S106-H108 PolarHBondContact OG-ND1 3.19Å; S106-H108 VanDerWaalsContact OG-ND1 3.1Å; S106-S109 PolarHBondContact O-N 2.65Å; S106-S109 VanDerWaalsContact O-N 3.15Å; S106-S109 PolarHBondContact O-OG 2.99Å; S106-H130 WeakPolarHBondContact CB-O 3.48Å; S106-H130 PolarHBondContact N-O 3.15Å; S106-C131 WeakPolarHBondContact CB-O 3.43Å; S106-C131 PolarHBondContact OG-O 2.03Å | ||
| 107 | I | 83.9 | Confident | 85.4 | Confident | 151 Ų | 151 | 72.9 Ų | 72.9 | 77% | 0.774 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -17.9 | 171 | 65.7 | 172.8 | 0 | 0 | 0 | 112.8 | S109 | I107-S109 PolarHBondContact O-N 2.8Š|
| 108 | H | 80.5 | Confident | 85.4 | Confident | 58 Ų | 58 | 74.5 Ų | 74.5 | 27% | 0.269 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | 29 | 179.2 | -51.7 | 102.1 | 0 | 0 | 0 | 112.6 | S106 H123 F126 | S106-H108 PolarHBondContact O-N 2.78Å; S106-H108 PolarHBondContact OG-N 2.05Å; S106-H108 PolarHBondContact OG-ND1 3.19Å; S106-H108 VanDerWaalsContact OG-ND1 3.1Å; H108-H123 WeakPolarHBondContact O-CB 3.14Å; H108-H123 PolarHBondContact O-N 3.25Å; H108-F126 HydrophobicContact CB-CB 4.39Å; H108-F126 HydrophobicContact CB-CD1 3.83Å; H108-F126 HydrophobicContact CB-CD2 3.64Å; H108-F126 HydrophobicContact CB-CE1 3.92Å; H108-F126 HydrophobicContact CB-CE2 3.74Å; H108-F126 HydrophobicContact CB-CG 3.67Å; H108-F126 HydrophobicContact CB-CZ 3.87Å; H108-F126 AromaticContact CD2-CE1 3.81Å; H108-F126 AromaticContact CD2-CE2 3.36Å; H108-F126 WeakPolarHBondContact CD2-CE2 3.25Å; H108-F126 AromaticContact CD2-CZ 3.12Å; H108-F126 WeakPolarHBondContact CD2-CZ 2.92Å; H108-F126 AromaticContact CE1-CE1 3.75Å; H108-F126 AromaticContact CE1-CZ 3.65Å; H108-F126 AromaticContact CG-CD1 3.9Å; H108-F126 AromaticContact CG-CD2 3.98Å; H108-F126 AromaticContact CG-CE1 3.45Å; H108-F126 VanDerWaalsContact CG-CE1 3.45Å; H108-F126 AromaticContact CG-CE2 3.55Å; H108-F126 AromaticContact CG-CZ 3.25Å; H108-F126 AromaticContact ND1-CE1 3.44Å; H108-F126 WeakPolarHBondContact ND1-CE1 3.18Å; H108-F126 AromaticContact ND1-CZ 3.6Å; H108-F126 AromaticContact NE2-CE1 3.99Å; H108-F126 AromaticContact NE2-CZ 3.39Å; H108-F126 WeakPolarHBondContact NE2-CZ 3.35Å |
| 109 | S | 85.2 | Confident | 85.4 | Confident | 16 Ų | 16 | 78.9 Ų | 78.9 | 11% | 0.112 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 161.9 | -179.8 | 59.6 | 0 | 0 | 0 | 0 | 113.3 | C105 S106 I107 D121 C131 | C105-S109 WeakPolarHBondContact CB-OG 3.39Å; S106-S109 PolarHBondContact O-N 2.65Å; S106-S109 VanDerWaalsContact O-N 3.15Å; S106-S109 PolarHBondContact O-OG 2.99Å; I107-S109 PolarHBondContact O-N 2.8Å; S109-D121 CarbonylContact C-O 3.58Å; S109-D121 WeakPolarHBondContact CA-O 3.08Å; S109-D121 VanDerWaalsContact CB-O 3.29Å; S109-D121 WeakPolarHBondContact CB-O 3.05Å; S109-C131 WeakPolarHBondContact CB-SG 3.45Å |
| 110 | I | 87.7 | Confident | 85.6 | Confident | 94 Ų | 94 | 71.4 Ų | 71.4 | 48% | 0.482 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 120.9 | 177.8 | -57.3 | 174 | 0 | 0 | 0 | 107.9 | D121 | I110-D121 HydrophobicContact CB-CB 4.37Å; I110-D121 PolarHBondContact N-O 3.24Å; I110-D121 PolarHBondContact O-N 2.64Å |
| 111 | C | 89.2 | Confident | 85.7 | Confident | 28 Ų | 28 | 68.5 Ų | 68.5 | 19% | 0.189 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 134.2 | 175 | -172.2 | 0 | 0 | 0 | 0 | 110.3 | C98 Y103 | C98-C111 HydrophobicContact CB-CB 3.96Å; C98-C111 WeakPolarHBondContact CB-SG 3.39Å; C98-C111 WeakPolarHBondContact SG-CB 3.47Å; C98-C111 CovalentContact SG-SG 2.05Å; C98-C111 PolarHBondContact SG-SG 2.73Å; Y103-C111 HydrophobicContact CD1-CB 4.4Å; Y103-C111 HydrophobicContact CD2-CB 4.02Å; Y103-C111 HydrophobicContact CE1-CB 4.49Å; Y103-C111 HydrophobicContact CE2-CB 4.15Å; Y103-C111 HydrophobicContact CG-CB 4.16Å |
| 112 | K | 89.5 | Confident | 85.9 | Confident | 105 Ų | 105 | 68 Ų | 68 | 46% | 0.457 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 115.1 | 171.3 | -72.6 | -179.8 | 173.2 | 166 | 0 | 108.9 | C98 Y118 K119 D121 | C98-K112 VanDerWaalsContact SG-C 3.53Å; K112-Y118 CarbonylContact O-C 3.51Å; K112-Y118 WeakPolarHBondContact O-CA 3.44Å; K112-K119 PolarHBondContact N-O 3.1Å; K112-K119 PolarHBondContact O-N 3.15Å; K112-D121 HydrophobicContact CD-CB 4.46Å; K112-D121 IonicContact NZ-OD2 3.79Å; K112-D121 PolarHBondContact NZ-OD2 3.37Å |
| 113 | N | 86.8 | Confident | 85.9 | Confident | 50 Ų | 50 | 68.2 Ų | 68.2 | 27% | 0.267 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 141.4 | 175.4 | -174.2 | 30.5 | 0 | 0 | 0 | 110.1 | D94 D96 E97 C98 S117 | D94-N113 PolarHBondContact OD2-ND2 2.75Å; D96-N113 WeakPolarHBondContact CA-ND2 3.12Å; D96-N113 PolarHBondContact OD2-ND2 2.94Å; E97-N113 PolarHBondContact OE2-OD1 2.91Å; C98-N113 PolarHBondContact SG-N 3.17Å; N113-S117 PolarHBondContact OD1-O 3Å |
| 114 | T | 86 | Confident | 85.7 | Confident | 60 Ų | 60 | 69.2 Ų | 69.2 | 37% | 0.368 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 148.4 | 177.7 | 59.3 | 0 | 0 | 0 | 0 | 109 | G116 S117 K119 | T114-G116 PolarHBondContact O-N 2.03Å; T114-S117 CarbonylContact C-O 3.59Å; T114-S117 VanDerWaalsContact C-O 3.26Å; T114-S117 VanDerWaalsContact CA-O 3.25Å; T114-S117 WeakPolarHBondContact CA-O 3.04Å; T114-S117 WeakPolarHBondContact CB-O 3.26Å; T114-S117 PolarHBondContact N-O 2.84Å; T114-S117 CarbonylContact O-C 3.55Å; T114-S117 PolarHBondContact O-N 2.81Å; T114-S117 PolarHBondContact OG1-O 3.2Å; T114-K119 HydrophobicContact CG2-CB 4.35Å |
| 115 | N | 85.7 | Confident | 85 | Confident | 124 Ų | 124 | 63 Ų | 63 | 66% | 0.663 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | 105.1 | -176.3 | -171.7 | 7 | 0 | 0 | 0 | 111.8 | R86 | R86-N115 PolarHBondContact NH1-OD1 3.46Å; R86-N115 PolarHBondContact NH2-OD1 3.01Å |
| 116 | G | 80.8 | Confident | 84.6 | Confident | 28 Ų | 28 | 62.8 Ų | 62.8 | 29% | 0.289 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93.1 | 6.2 | -175.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | D94 T114 | D94-G116 WeakPolarHBondContact OD1-CA 3.36Å; D94-G116 PolarHBondContact OD1-N 3.4Å; T114-G116 PolarHBondContact O-N 2.03Å |
| 117 | S | 86.1 | Confident | 84.4 | Confident | 57 Ų | 57 | 64.7 Ų | 64.7 | 40% | 0.399 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -173.5 | -173.6 | 178.6 | -156 | 0 | 0 | 0 | 0 | 113.3 | N113 T114 | N113-S117 PolarHBondContact OD1-O 3Å; T114-S117 CarbonylContact C-O 3.59Å; T114-S117 VanDerWaalsContact C-O 3.26Å; T114-S117 VanDerWaalsContact CA-O 3.25Å; T114-S117 WeakPolarHBondContact CA-O 3.04Å; T114-S117 WeakPolarHBondContact CB-O 3.26Å; T114-S117 PolarHBondContact N-O 2.84Å; T114-S117 CarbonylContact O-C 3.55Å; T114-S117 PolarHBondContact O-N 2.81Å; T114-S117 PolarHBondContact OG1-O 3.2Å |
| 118 | Y | 88.4 | Confident | 84.1 | Confident | 51 Ų | 51 | 58.9 Ų | 58.9 | 20% | 0.2 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 161.8 | 171.2 | 64.3 | -84.6 | 0 | 0 | 0 | 112.5 | E97 E104 K112 | E97-Y118 HydrophobicContact CB-CD1 3.83Å; E97-Y118 HydrophobicContact CB-CG 4.35Å; E97-Y118 HydrophobicContact CG-CD1 3.95Å; E104-Y118 WeakPolarHBondContact CB-OH 3.18Å; E104-Y118 VanDerWaalsContact N-CZ 3.32Å; E104-Y118 PolarHBondContact N-OH 2.89Å; K112-Y118 CarbonylContact O-C 3.51Å; K112-Y118 WeakPolarHBondContact O-CA 3.44Å |
| 119 | K | 88.9 | Confident | 84.1 | Confident | 128 Ų | 128 | 64.2 Ų | 64.2 | 56% | 0.557 | 36% | 0.355 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 131.5 | 174.7 | 179 | 178.8 | 175.9 | -178.1 | 0 | 110.9 | K112 T114 | K112-K119 PolarHBondContact N-O 3.1Å; K112-K119 PolarHBondContact O-N 3.15Å; T114-K119 HydrophobicContact CG2-CB 4.35Å |
| 120 | C | 90.4 | Very high | 84 | Confident | 14 Ų | 14 | 66 Ų | 66 | 10% | 0.095 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 122.1 | 171 | -46.8 | 0 | 0 | 0 | 0 | 110.3 | C105 | C105-C120 WeakPolarHBondContact CA-SG 3.36Å; C105-C120 HydrophobicContact CB-CB 3.85Å; C105-C120 WeakPolarHBondContact CB-SG 3.13Å; C105-C120 VanDerWaalsContact SG-CA 3.57Å; C105-C120 WeakPolarHBondContact SG-CB 3.49Å; C105-C120 CovalentContact SG-SG 2.03Å; C105-C120 PolarHBondContact SG-SG 2.84Å |
| 121 | D | 88.1 | Confident | 83.9 | Confident | 65 Ų | 65 | 61.5 Ų | 61.5 | 35% | 0.348 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 107.6 | 174.3 | -158 | 4.3 | 0 | 0 | 0 | 109.3 | S109 I110 K112 | S109-D121 CarbonylContact C-O 3.58Å; S109-D121 WeakPolarHBondContact CA-O 3.08Å; S109-D121 VanDerWaalsContact CB-O 3.29Å; S109-D121 WeakPolarHBondContact CB-O 3.05Å; I110-D121 HydrophobicContact CB-CB 4.37Å; I110-D121 PolarHBondContact N-O 3.24Å; I110-D121 PolarHBondContact O-N 2.64Å; K112-D121 HydrophobicContact CD-CB 4.46Å; K112-D121 IonicContact NZ-OD2 3.79Å; K112-D121 PolarHBondContact NZ-OD2 3.37Å |
| 122 | C | 86.2 | Confident | 83.4 | Confident | 41 Ų | 41 | 64.5 Ų | 64.5 | 28% | 0.277 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 136.5 | -170.4 | -51.6 | 0 | 0 | 0 | 0 | 112.4 | F126 C131 | C122-F126 HydrophobicContact CB-CB 4.28Å; C122-F126 WeakPolarHBondContact CB-O 3.29Å; C122-C131 WeakPolarHBondContact CA-SG 3.37Å; C122-C131 HydrophobicContact CB-CB 3.65Å; C122-C131 WeakPolarHBondContact CB-SG 3.34Å; C122-C131 PolarHBondContact N-SG 3.04Å; C122-C131 VanDerWaalsContact SG-CA 3.56Å; C122-C131 WeakPolarHBondContact SG-CB 3.18Å; C122-C131 CovalentContact SG-SG 2.03Å; C122-C131 PolarHBondContact SG-SG 3.11Å |
| 123 | H | 84.2 | Confident | 82.7 | Confident | 83 Ų | 83 | 65.1 Ų | 65.1 | 38% | 0.384 | 36% | 0.361 | S | S | . | . | P | Polyproline II helix | trans | -62.8 | 155.7 | 167.5 | -67.3 | 162.2 | 0 | 0 | 0 | 111.2 | H108 G125 F126 | H108-H123 WeakPolarHBondContact O-CB 3.14Å; H108-H123 PolarHBondContact O-N 3.25Å; H123-G125 PolarHBondContact O-N 2.84Å; H123-F126 PolarHBondContact O-N 2.87Å; H123-F126 VanDerWaalsContact O-N 3.11Å |
| 124 | S | 78.7 | Confident | 82 | Confident | 117 Ų | 117 | 67.7 Ų | 67.7 | 82% | 0.818 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | 127.8 | 177 | -55.4 | 0 | 0 | 0 | 0 | 111.5 | ||
| 125 | G | 69.7 | Low | 81.4 | Confident | 3 Ų | 3 | 67.3 Ų | 67.3 | 3% | 0.031 | 37% | 0.365 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 101.9 | -9.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | H123 F134 I135 N155 | H123-G125 PolarHBondContact O-N 2.84Å; G125-F134 WeakPolarHBondContact O-CA 3.34Å; G125-I135 PolarHBondContact O-N 3.46Å; G125-N155 WeakPolarHBondContact CA-OD1 3.04Å |
| 126 | F | 78.1 | Confident | 80.9 | Confident | 20 Ų | 20 | 64.4 Ų | 64.4 | 9% | 0.088 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 149.9 | -179.9 | -65.7 | -94.1 | 0 | 0 | 0 | 112.8 | H108 C122 H123 C131 E133 F134 | H108-F126 HydrophobicContact CB-CB 4.39Å; H108-F126 HydrophobicContact CB-CD1 3.83Å; H108-F126 HydrophobicContact CB-CD2 3.64Å; H108-F126 HydrophobicContact CB-CE1 3.92Å; H108-F126 HydrophobicContact CB-CE2 3.74Å; H108-F126 HydrophobicContact CB-CG 3.67Å; H108-F126 HydrophobicContact CB-CZ 3.87Å; H108-F126 AromaticContact CD2-CE1 3.81Å; H108-F126 AromaticContact CD2-CE2 3.36Å; H108-F126 WeakPolarHBondContact CD2-CE2 3.25Å; H108-F126 AromaticContact CD2-CZ 3.12Å; H108-F126 WeakPolarHBondContact CD2-CZ 2.92Å; H108-F126 AromaticContact CE1-CE1 3.75Å; H108-F126 AromaticContact CE1-CZ 3.65Å; H108-F126 AromaticContact CG-CD1 3.9Å; H108-F126 AromaticContact CG-CD2 3.98Å; H108-F126 AromaticContact CG-CE1 3.45Å; H108-F126 VanDerWaalsContact CG-CE1 3.45Å; H108-F126 AromaticContact CG-CE2 3.55Å; H108-F126 AromaticContact CG-CZ 3.25Å; H108-F126 AromaticContact ND1-CE1 3.44Å; H108-F126 WeakPolarHBondContact ND1-CE1 3.18Å; H108-F126 AromaticContact ND1-CZ 3.6Å; H108-F126 AromaticContact NE2-CE1 3.99Å; H108-F126 AromaticContact NE2-CZ 3.39Å; H108-F126 WeakPolarHBondContact NE2-CZ 3.35Å; C122-F126 HydrophobicContact CB-CB 4.28Å; C122-F126 WeakPolarHBondContact CB-O 3.29Å; H123-F126 PolarHBondContact O-N 2.87Å; H123-F126 VanDerWaalsContact O-N 3.11Å; F126-C131 HydrophobicContact CB-CB 4.45Å; F126-E133 CarbonylContact C-O 3.37Å; F126-E133 WeakPolarHBondContact CA-O 3.03Å; F126-F134 HydrophobicContact CD1-CD1 4.1Å; F126-F134 HydrophobicContact CD1-CE1 4.08Å; F126-F134 AromaticContact CE1-CD1 3.67Å; F126-F134 HydrophobicContact CE1-CD1 3.67Å; F126-F134 AromaticContact CE1-CE1 3.2Å; F126-F134 HydrophobicContact CE1-CE1 3.2Å; F126-F134 HydrophobicContact CE1-CE2 4.45Å; F126-F134 HydrophobicContact CE1-CG 4.48Å; F126-F134 AromaticContact CE1-CZ 3.65Å; F126-F134 HydrophobicContact CE1-CZ 3.65Å; F126-F134 HydrophobicContact CE2-CD1 4.46Å; F126-F134 HydrophobicContact CE2-CE1 4.06Å; F126-F134 AromaticContact CZ-CD1 3.89Å; F126-F134 HydrophobicContact CZ-CD1 3.89Å; F126-F134 AromaticContact CZ-CE1 3.19Å; F126-F134 HydrophobicContact CZ-CE1 3.19Å; F126-F134 AromaticContact CZ-CZ 3.88Å; F126-F134 HydrophobicContact CZ-CZ 3.88Å |
| 127 | T | 78.1 | Confident | 80.7 | Confident | 66 Ų | 66 | 65.4 Ų | 65.4 | 41% | 0.405 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 175 | 178.9 | -168 | 0 | 0 | 0 | 0 | 110.8 | C131 T132 E133 | T127-C131 CarbonylContact O-C 3.53Å; T127-C131 WeakPolarHBondContact O-CA 3.44Å; T127-T132 PolarHBondContact O-N 2.97Å; T127-E133 HydrophobicContact CG2-CB 3.72Å; T127-E133 PolarHBondContact N-O 3.3Å; T127-E133 PolarHBondContact O-N 3.28Å; T127-E133 VanDerWaalsContact O-N 3.15Å |
| 128 | G | 78 | Confident | 80.6 | Confident | 29 Ų | 29 | 63.5 Ų | 63.5 | 30% | 0.299 | 33% | 0.332 | S | S | . | . | S | Bend | trans | 94.4 | 163 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | H130 C131 | G128-H130 PolarHBondContact O-N 2.7Å; G128-C131 PolarHBondContact O-N 3.07Å; G128-C131 VanDerWaalsContact O-N 3.07Å |
| 129 | K | 79.7 | Confident | 80.1 | Confident | 170 Ų | 170 | 66.4 Ų | 66.4 | 74% | 0.739 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -35.6 | -175.8 | -175.4 | -177.4 | 175.5 | -166.9 | 0 | 113.1 | ||
| 130 | H | 84.2 | Confident | 79.5 | Confident | 53 Ų | 53 | 65.2 Ų | 65.2 | 25% | 0.245 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.7 | 9.1 | -179 | -56.3 | -81 | 0 | 0 | 0 | 112.3 | E104 S106 G128 T132 | E104-H130 PolarHBondContact O-ND1 2.65Å; E104-H130 IonicContact OE2-CE1 3.74Å; S106-H130 WeakPolarHBondContact CB-O 3.48Å; S106-H130 PolarHBondContact N-O 3.15Å; G128-H130 PolarHBondContact O-N 2.7Å; H130-T132 HydrophobicContact CB-CG2 4.17Å; H130-T132 PolarHBondContact O-N 3.36Å |
| 131 | C | 84.1 | Confident | 78.9 | Confident | 0 Ų | 0 | 71.8 Ų | 71.8 | 0% | 0 | 38% | 0.377 | C | S | . | . | S | Bend | trans | 55.9 | 43.8 | 179.6 | -49.3 | 0 | 0 | 0 | 0 | 114 | S106 S109 C122 F126 T127 G128 | S106-C131 WeakPolarHBondContact CB-O 3.43Å; S106-C131 PolarHBondContact OG-O 2.03Å; S109-C131 WeakPolarHBondContact CB-SG 3.45Å; C122-C131 WeakPolarHBondContact CA-SG 3.37Å; C122-C131 HydrophobicContact CB-CB 3.65Å; C122-C131 WeakPolarHBondContact CB-SG 3.34Å; C122-C131 PolarHBondContact N-SG 3.04Å; C122-C131 VanDerWaalsContact SG-CA 3.56Å; C122-C131 WeakPolarHBondContact SG-CB 3.18Å; C122-C131 CovalentContact SG-SG 2.03Å; C122-C131 PolarHBondContact SG-SG 3.11Å; F126-C131 HydrophobicContact CB-CB 4.45Å; T127-C131 CarbonylContact O-C 3.53Å; T127-C131 WeakPolarHBondContact O-CA 3.44Å; G128-C131 PolarHBondContact O-N 3.07Å; G128-C131 VanDerWaalsContact O-N 3.07Å |
| 132 | T | 79.7 | Confident | 78.7 | Confident | 90 Ų | 90 | 74.1 Ų | 74.1 | 55% | 0.552 | 39% | 0.393 | S | S | * | . | trans | -102.6 | -14.2 | -177.8 | 49 | 0 | 0 | 0 | 0 | 113.6 | T127 H130 | T127-T132 PolarHBondContact O-N 2.97Å; H130-T132 HydrophobicContact CB-CG2 4.17Å; H130-T132 PolarHBondContact O-N 3.36Å | ||
| 133 | E | 74.7 | Confident | 78.7 | Confident | 118 Ų | 118 | 72.8 Ų | 72.8 | 55% | 0.551 | 38% | 0.384 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101 | 145.6 | -176.6 | -63.6 | 174.8 | 179.7 | 0 | 0 | 110.4 | F126 T127 | F126-E133 CarbonylContact C-O 3.37Å; F126-E133 WeakPolarHBondContact CA-O 3.03Å; T127-E133 HydrophobicContact CG2-CB 3.72Å; T127-E133 PolarHBondContact N-O 3.3Å; T127-E133 PolarHBondContact O-N 3.28Å; T127-E133 VanDerWaalsContact O-N 3.15Å |
| 134 | F | 72.3 | Confident | 79 | Confident | 104 Ų | 104 | 69.9 Ų | 69.9 | 46% | 0.456 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 150.2 | 172.3 | -65.7 | -77.8 | 0 | 0 | 0 | 111 | G125 F126 D136 Q154 | G125-F134 WeakPolarHBondContact O-CA 3.34Å; F126-F134 HydrophobicContact CD1-CD1 4.1Å; F126-F134 HydrophobicContact CD1-CE1 4.08Å; F126-F134 AromaticContact CE1-CD1 3.67Å; F126-F134 HydrophobicContact CE1-CD1 3.67Å; F126-F134 AromaticContact CE1-CE1 3.2Å; F126-F134 HydrophobicContact CE1-CE1 3.2Å; F126-F134 HydrophobicContact CE1-CE2 4.45Å; F126-F134 HydrophobicContact CE1-CG 4.48Å; F126-F134 AromaticContact CE1-CZ 3.65Å; F126-F134 HydrophobicContact CE1-CZ 3.65Å; F126-F134 HydrophobicContact CE2-CD1 4.46Å; F126-F134 HydrophobicContact CE2-CE1 4.06Å; F126-F134 AromaticContact CZ-CD1 3.89Å; F126-F134 HydrophobicContact CZ-CD1 3.89Å; F126-F134 AromaticContact CZ-CE1 3.19Å; F126-F134 HydrophobicContact CZ-CE1 3.19Å; F126-F134 AromaticContact CZ-CZ 3.88Å; F126-F134 HydrophobicContact CZ-CZ 3.88Å; F134-D136 PolarHBondContact O-N 2.76Å; F134-Q154 HydrophobicContact CD1-CG 4.07Å; F134-Q154 HydrophobicContact CE1-CG 3.69Å; F134-Q154 HydrophobicContact CZ-CG 4.44Å |
| 135 | I | 72.6 | Confident | 79.3 | Confident | 52 Ų | 52 | 69.6 Ų | 69.6 | 27% | 0.267 | 36% | 0.359 | S | S | . | . | P | Polyproline II helix | trans | -69 | 118.5 | 171.4 | -63 | 174.1 | 0 | 0 | 0 | 109.3 | G125 Y137 I140 | G125-I135 PolarHBondContact O-N 3.46Å; I135-Y137 HydrophobicContact CB-CE2 4.37Å; I135-Y137 HydrophobicContact CG2-CE1 4.45Å; I135-Y137 HydrophobicContact CG2-CE2 4.38Å; I135-Y137 VanDerWaalsContact O-CD2 3.3Å; I135-Y137 WeakPolarHBondContact O-CD2 3.45Å; I135-Y137 WeakPolarHBondContact O-CE2 3.3Å; I135-Y137 PolarHBondContact O-N 2.85Å; I135-I140 HydrophobicContact CG2-CD1 3.69Å |
| 136 | D | 75.2 | Confident | 80 | Confident | 64 Ų | 64 | 72.8 Ų | 72.8 | 34% | 0.342 | 38% | 0.375 | S | S | . | . | trans | -82.2 | 99 | 173.8 | -172 | -21.4 | 0 | 0 | 0 | 110.9 | F134 C138 V139 I140 | F134-D136 PolarHBondContact O-N 2.76Å; D136-C138 PolarHBondContact O-N 3.05Å; D136-C138 WeakPolarHBondContact OD1-CA 3.18Å; D136-C138 VanDerWaalsContact OD1-CB 3.23Å; D136-C138 WeakPolarHBondContact OD1-CB 3.44Å; D136-C138 PolarHBondContact OD1-N 3.29Å; D136-V139 HydrophobicContact CB-CG2 4.27Å; D136-V139 PolarHBondContact O-N 3.33Å; D136-V139 PolarHBondContact OD1-N 3.4Å; D136-I140 PolarHBondContact O-N 3.37Å | ||
| 137 | Y | 78.4 | Confident | 80.1 | Confident | 48 Ų | 48 | 75 Ų | 75 | 19% | 0.188 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -65.6 | -22.8 | 178.2 | -64.8 | -87.3 | 0 | 0 | 0 | 113.7 | I135 Y141 N155 | I135-Y137 HydrophobicContact CB-CE2 4.37Å; I135-Y137 HydrophobicContact CG2-CE1 4.45Å; I135-Y137 HydrophobicContact CG2-CE2 4.38Å; I135-Y137 VanDerWaalsContact O-CD2 3.3Å; I135-Y137 WeakPolarHBondContact O-CD2 3.45Å; I135-Y137 WeakPolarHBondContact O-CE2 3.3Å; I135-Y137 PolarHBondContact O-N 2.85Å; Y137-Y141 AromaticContact CD1-CD2 3.97Å; Y137-Y141 HydrophobicContact CD1-CD2 3.97Å; Y137-Y141 AromaticContact CD1-CE2 3.89Å; Y137-Y141 HydrophobicContact CD1-CE2 3.89Å; Y137-Y141 HydrophobicContact CE1-CE2 4.44Å; Y137-Y141 PolarHBondContact O-N 3.47Å; Y137-Y141 VanDerWaalsContact O-N 3.07Å; Y137-N155 VanDerWaalsContact CE2-CA 3.49Å |
| 138 | C | 82.2 | Confident | 80.5 | Confident | 18 Ų | 18 | 72.5 Ų | 72.5 | 12% | 0.122 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -70.6 | -34.2 | 179.4 | -68.6 | 0 | 0 | 0 | 0 | 111.9 | D136 T142 C150 | D136-C138 PolarHBondContact O-N 3.05Å; D136-C138 WeakPolarHBondContact OD1-CA 3.18Å; D136-C138 VanDerWaalsContact OD1-CB 3.23Å; D136-C138 WeakPolarHBondContact OD1-CB 3.44Å; D136-C138 PolarHBondContact OD1-N 3.29Å; C138-T142 PolarHBondContact O-N 3.39Å; C138-C150 WeakPolarHBondContact CA-SG 3.01Å; C138-C150 HydrophobicContact CB-CB 3.7Å; C138-C150 WeakPolarHBondContact CB-SG 3.48Å; C138-C150 WeakPolarHBondContact SG-CB 3.46Å; C138-C150 CovalentContact SG-SG 2.04Å; C138-C150 PolarHBondContact SG-SG 2.81Å |
| 139 | V | 77.8 | Confident | 81 | Confident | 112 Ų | 112 | 78 Ų | 78 | 68% | 0.679 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -75.8 | -39.3 | 177.4 | 177.7 | 0 | 0 | 0 | 0 | 111.4 | D136 | D136-V139 HydrophobicContact CB-CG2 4.27Å; D136-V139 PolarHBondContact O-N 3.33Å; D136-V139 PolarHBondContact OD1-N 3.4Å |
| 140 | I | 76.2 | Confident | 81.5 | Confident | 102 Ų | 102 | 71.7 Ų | 71.7 | 52% | 0.523 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -79.3 | -40.9 | -173.4 | -61.1 | 174.7 | 0 | 0 | 0 | 112.1 | I135 D136 | I135-I140 HydrophobicContact CG2-CD1 3.69Å; D136-I140 PolarHBondContact O-N 3.37Å |
| 141 | Y | 79.4 | Confident | 81.6 | Confident | 153 Ų | 153 | 72.7 Ų | 72.7 | 60% | 0.6 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -114.3 | -12.7 | -168.2 | -64.9 | -69.9 | 0 | 0 | 0 | 115.4 | Y137 | Y137-Y141 AromaticContact CD1-CD2 3.97Å; Y137-Y141 HydrophobicContact CD1-CD2 3.97Å; Y137-Y141 AromaticContact CD1-CE2 3.89Å; Y137-Y141 HydrophobicContact CD1-CE2 3.89Å; Y137-Y141 HydrophobicContact CE1-CE2 4.44Å; Y137-Y141 PolarHBondContact O-N 3.47Å; Y137-Y141 VanDerWaalsContact O-N 3.07Å |
| 142 | T | 83.5 | Confident | 81.5 | Confident | 113 Ų | 113 | 76.1 Ų | 76.1 | 69% | 0.693 | 41% | 0.411 | S | S | * | . | trans | 37.4 | 59.1 | -175.9 | 54.6 | 0 | 0 | 0 | 0 | 113.6 | C138 C144 | C138-T142 PolarHBondContact O-N 3.39Å; T142-C144 PolarHBondContact O-N 3.33Å | ||
| 143 | P | 86.2 | Confident | 81.5 | Confident | 13 Ų | 13 | 76.1 Ų | 76.1 | 8% | 0.084 | 41% | 0.407 | C | S | . | . | trans | -76.7 | -20.4 | -163.9 | 28.8 | -35.1 | 0 | 0 | 0 | 114.9 | Y157 N169 | P143-Y157 HydrophobicContact CB-CD1 4.37Å; P143-Y157 HydrophobicContact CB-CD2 3.84Å; P143-Y157 HydrophobicContact CB-CE1 3.91Å; P143-Y157 HydrophobicContact CB-CE2 3.32Å; P143-Y157 HydrophobicContact CB-CG 4.33Å; P143-Y157 HydrophobicContact CG-CD1 3.84Å; P143-Y157 HydrophobicContact CG-CD2 3.24Å; P143-Y157 HydrophobicContact CG-CE1 3.9Å; P143-Y157 HydrophobicContact CG-CE2 3.34Å; P143-Y157 HydrophobicContact CG-CG 3.51Å; P143-N169 WeakPolarHBondContact O-CB 3.33Å | ||
| 144 | C | 89.9 | Confident | 81.3 | Confident | 23 Ų | 23 | 76.8 Ų | 76.8 | 16% | 0.155 | 41% | 0.41 | C | S | . | . | trans | -82.1 | 122.2 | -174.7 | -47.7 | 0 | 0 | 0 | 0 | 111.9 | T142 G148 C150 C159 | T142-C144 PolarHBondContact O-N 3.33Å; C144-G148 WeakPolarHBondContact CB-O 3.45Å; C144-C150 VanDerWaalsContact SG-CA 3.5Å; C144-C150 WeakPolarHBondContact SG-CB 3.46Å; C144-C159 WeakPolarHBondContact CA-SG 3.34Å; C144-C159 HydrophobicContact CB-CB 3.73Å; C144-C159 WeakPolarHBondContact CB-SG 3.37Å; C144-C159 WeakPolarHBondContact SG-CA 2.98Å; C144-C159 WeakPolarHBondContact SG-CB 3.46Å; C144-C159 CovalentContact SG-SG 2.02Å; C144-C159 PolarHBondContact SG-SG 2.95Å | ||
| 145 | Q | 86.3 | Confident | 81.3 | Confident | 110 Ų | 110 | 76 Ų | 76 | 51% | 0.514 | 41% | 0.411 | S | S | . | . | trans | -99.8 | 174.6 | 177 | -59.1 | -165.3 | -1.6 | 0 | 0 | 111.8 | G147 G148 N169 C170 T171 | Q145-G147 PolarHBondContact O-N 2.91Å; Q145-G147 VanDerWaalsContact O-N 3.09Å; Q145-G148 PolarHBondContact O-N 3.06Å; Q145-N169 PolarHBondContact N-O 2.75Å; Q145-C170 WeakPolarHBondContact O-CB 3.22Å; Q145-T171 HydrophobicContact CB-CG2 4.24Å; Q145-T171 HydrophobicContact CG-CG2 4.16Å | ||
| 146 | N | 82.6 | Confident | 81.6 | Confident | 70 Ų | 70 | 76.4 Ų | 76.4 | 37% | 0.374 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.2 | 35.4 | 174.5 | -59.3 | -49.6 | 0 | 0 | 0 | 115.1 | A162 Y165 C170 | N146-A162 WeakPolarHBondContact O-CB 3.19Å; N146-Y165 HydrophobicContact CB-CD1 3.72Å; N146-Y165 HydrophobicContact CB-CD2 3.84Å; N146-Y165 HydrophobicContact CB-CE1 3.63Å; N146-Y165 HydrophobicContact CB-CE2 3.76Å; N146-Y165 HydrophobicContact CB-CG 3.81Å; N146-Y165 VanDerWaalsContact ND2-CD1 3.33Å; N146-Y165 WeakPolarHBondContact ND2-CD1 3.47Å; N146-Y165 WeakPolarHBondContact ND2-CE1 3.23Å; N146-C170 PolarHBondContact ND2-O 3.32Å |
| 147 | G | 81.6 | Confident | 82.1 | Confident | 66 Ų | 66 | 75.4 Ų | 75.4 | 68% | 0.68 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.2 | 16.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q145 | Q145-G147 PolarHBondContact O-N 2.91Å; Q145-G147 VanDerWaalsContact O-N 3.09Å |
| 148 | G | 86.2 | Confident | 82.6 | Confident | 15 Ų | 15 | 77.6 Ų | 77.6 | 16% | 0.155 | 42% | 0.417 | C | S | . | . | P | Polyproline II helix | trans | -65.2 | 138.7 | 173 | 0 | 0 | 0 | 0 | 0 | 112.6 | C144 Q145 E160 | C144-G148 WeakPolarHBondContact CB-O 3.45Å; Q145-G148 PolarHBondContact O-N 3.06Å; G148-E160 CarbonylContact C-O 3.52Å; G148-E160 WeakPolarHBondContact CA-O 3.01Å |
| 149 | K | 89.1 | Confident | 83 | Confident | 143 Ų | 143 | 77.1 Ų | 77.1 | 62% | 0.622 | 41% | 0.414 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 127.6 | 175.4 | -65.3 | 179.7 | -178.7 | 176.8 | 0 | 110 | C159 E160 | K149-C159 CarbonylContact O-C 3.48Å; K149-C159 WeakPolarHBondContact O-CA 3.4Å; K149-E160 HydrophobicContact CB-CB 4.26Å; K149-E160 PolarHBondContact N-O 2.9Å; K149-E160 PolarHBondContact O-N 3.41Å |
| 150 | C | 89.9 | Confident | 83.6 | Confident | 39 Ų | 39 | 76.3 Ų | 76.3 | 26% | 0.264 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 130 | 179.8 | -164.7 | 0 | 0 | 0 | 0 | 111.1 | C138 C144 | C138-C150 WeakPolarHBondContact CA-SG 3.01Å; C138-C150 HydrophobicContact CB-CB 3.7Å; C138-C150 WeakPolarHBondContact CB-SG 3.48Å; C138-C150 WeakPolarHBondContact SG-CB 3.46Å; C138-C150 CovalentContact SG-SG 2.04Å; C138-C150 PolarHBondContact SG-SG 2.81Å; C144-C150 VanDerWaalsContact SG-CA 3.5Å; C144-C150 WeakPolarHBondContact SG-CB 3.46Å |
| 151 | H | 86.9 | Confident | 84.2 | Confident | 73 Ų | 73 | 73.6 Ų | 73.6 | 34% | 0.338 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 125.3 | 172.9 | -65.6 | -78.5 | 0 | 0 | 0 | 109.9 | Y157 H158 E160 | H151-Y157 WeakPolarHBondContact O-CA 3.07Å; H151-H158 HydrophobicContact CB-CB 4.46Å; H151-H158 PolarHBondContact N-O 2.96Å; H151-H158 PolarHBondContact O-N 2.04Å; H151-E160 VanDerWaalsContact CD2-CD 3.48Å; H151-E160 IonicContact CD2-OE1 3.81Å; H151-E160 IonicContact CD2-OE2 3.89Å; H151-E160 IonicContact CE1-OE1 3.9Å; H151-E160 IonicContact CE1-OE2 3.06Å; H151-E160 IonicContact NE2-OE1 2.91Å; H151-E160 PolarHBondContact NE2-OE1 3.37Å; H151-E160 IonicContact NE2-OE2 2.7Å; H151-E160 PolarHBondContact NE2-OE2 3.07Å |
| 152 | P | 81.3 | Confident | 84.3 | Confident | 73 Ų | 73 | 68.1 Ų | 68.1 | 47% | 0.474 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 139.4 | 178.8 | 28.5 | -33 | 0 | 0 | 0 | 110.9 | ||
| 153 | L | 79.1 | Confident | 84.1 | Confident | 90 Ų | 90 | 66.4 Ų | 66.4 | 47% | 0.471 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 164.3 | 172.9 | -64.4 | 175.5 | 0 | 0 | 0 | 110.1 | N155 D156 H158 | L153-N155 PolarHBondContact O-N 2.83Å; L153-D156 CarbonylContact C-O 3.59Å; L153-D156 WeakPolarHBondContact CA-O 3.41Å; L153-D156 HydrophobicContact CB-CB 4.34Å; L153-D156 WeakPolarHBondContact CB-O 3.34Å; L153-D156 PolarHBondContact N-O 3.35Å; L153-D156 PolarHBondContact O-N 2.96Å; L153-H158 HydrophobicContact CD1-CB 3.93Å; L153-H158 HydrophobicContact CG-CB 4.46Å |
| 154 | Q | 70.9 | Confident | 83.4 | Confident | 131 Ų | 131 | 66 Ų | 66 | 61% | 0.612 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | 109.7 | 172.5 | -173.5 | 175.8 | 15 | 0 | 0 | 109.4 | F134 D156 | F134-Q154 HydrophobicContact CD1-CG 4.07Å; F134-Q154 HydrophobicContact CE1-CG 3.69Å; F134-Q154 HydrophobicContact CZ-CG 4.44Å; Q154-D156 VanDerWaalsContact C-N 3.26Å; Q154-D156 PolarHBondContact O-N 2.76Å |
| 155 | N | 71.1 | Confident | 83.1 | Confident | 87 Ų | 87 | 66.8 Ų | 66.8 | 47% | 0.465 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.9 | 12.5 | -176.7 | -63.7 | -22.3 | 0 | 0 | 0 | 116.6 | G125 Y137 L153 | G125-N155 WeakPolarHBondContact CA-OD1 3.04Å; Y137-N155 VanDerWaalsContact CE2-CA 3.49Å; L153-N155 PolarHBondContact O-N 2.83Å |
| 156 | D | 80.3 | Confident | 82.9 | Confident | 61 Ų | 61 | 66.3 Ų | 66.3 | 33% | 0.326 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152 | -175.1 | 176.4 | -154.9 | -0.5 | 0 | 0 | 0 | 111.3 | L153 Q154 K168 | L153-D156 CarbonylContact C-O 3.59Å; L153-D156 WeakPolarHBondContact CA-O 3.41Å; L153-D156 HydrophobicContact CB-CB 4.34Å; L153-D156 WeakPolarHBondContact CB-O 3.34Å; L153-D156 PolarHBondContact N-O 3.35Å; L153-D156 PolarHBondContact O-N 2.96Å; Q154-D156 VanDerWaalsContact C-N 3.26Å; Q154-D156 PolarHBondContact O-N 2.76Å; D156-K168 VanDerWaalsContact CG-NZ 3.28Å; D156-K168 IonicContact OD1-NZ 2.96Å; D156-K168 PolarHBondContact OD1-NZ 3.25Å; D156-K168 IonicContact OD2-NZ 3.59Å; D156-K168 PolarHBondContact OD2-NZ 3.09Å |
| 157 | Y | 86.1 | Confident | 83 | Confident | 43 Ų | 43 | 65 Ų | 65 | 17% | 0.169 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 155.8 | 169.4 | 59.2 | -89.3 | 0 | 0 | 0 | 110.3 | P143 H151 K168 N169 | P143-Y157 HydrophobicContact CB-CD1 4.37Å; P143-Y157 HydrophobicContact CB-CD2 3.84Å; P143-Y157 HydrophobicContact CB-CE1 3.91Å; P143-Y157 HydrophobicContact CB-CE2 3.32Å; P143-Y157 HydrophobicContact CB-CG 4.33Å; P143-Y157 HydrophobicContact CG-CD1 3.84Å; P143-Y157 HydrophobicContact CG-CD2 3.24Å; P143-Y157 HydrophobicContact CG-CE1 3.9Å; P143-Y157 HydrophobicContact CG-CE2 3.34Å; P143-Y157 HydrophobicContact CG-CG 3.51Å; H151-Y157 WeakPolarHBondContact O-CA 3.07Å; Y157-K168 HydrophobicContact CE2-CG 4.25Å; Y157-N169 WeakPolarHBondContact CE2-OD1 3.29Å; Y157-N169 PolarHBondContact OH-OD1 2.02Å |
| 158 | H | 88.8 | Confident | 83.1 | Confident | 95 Ų | 95 | 67.4 Ų | 67.4 | 44% | 0.44 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 127.3 | 170.9 | 176.6 | 63.9 | 0 | 0 | 0 | 110.3 | H151 L153 | H151-H158 HydrophobicContact CB-CB 4.46Å; H151-H158 PolarHBondContact N-O 2.96Å; H151-H158 PolarHBondContact O-N 2.04Å; L153-H158 HydrophobicContact CD1-CB 3.93Å; L153-H158 HydrophobicContact CG-CB 4.46Å |
| 159 | C | 90.8 | Very high | 83.2 | Confident | 7 Ų | 7 | 69.1 Ų | 69.1 | 5% | 0.047 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 115.2 | 173.1 | -63.5 | 0 | 0 | 0 | 0 | 110.6 | C144 K149 C161 K168 C170 | C144-C159 WeakPolarHBondContact CA-SG 3.34Å; C144-C159 HydrophobicContact CB-CB 3.73Å; C144-C159 WeakPolarHBondContact CB-SG 3.37Å; C144-C159 WeakPolarHBondContact SG-CA 2.98Å; C144-C159 WeakPolarHBondContact SG-CB 3.46Å; C144-C159 CovalentContact SG-SG 2.02Å; C144-C159 PolarHBondContact SG-SG 2.95Å; K149-C159 CarbonylContact O-C 3.48Å; K149-C159 WeakPolarHBondContact O-CA 3.4Å; C159-C161 PolarHBondContact O-N 3.33Å; C159-K168 VanDerWaalsContact CB-O 3.29Å; C159-K168 WeakPolarHBondContact CB-O 3.47Å; C159-K168 PolarHBondContact SG-O 2.9Å; C159-K168 VanDerWaalsContact SG-O 3.35Å; C159-C170 VanDerWaalsContact CB-SG 3.53Å |
| 160 | E | 89.9 | Confident | 83.1 | Confident | 95 Ų | 95 | 62.3 Ų | 62.3 | 44% | 0.444 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 103.5 | 166.5 | -76.5 | 177.5 | 179.2 | 0 | 0 | 109.2 | G148 K149 H151 | G148-E160 CarbonylContact C-O 3.52Å; G148-E160 WeakPolarHBondContact CA-O 3.01Å; K149-E160 HydrophobicContact CB-CB 4.26Å; K149-E160 PolarHBondContact N-O 2.9Å; K149-E160 PolarHBondContact O-N 3.41Å; H151-E160 VanDerWaalsContact CD2-CD 3.48Å; H151-E160 IonicContact CD2-OE1 3.81Å; H151-E160 IonicContact CD2-OE2 3.89Å; H151-E160 IonicContact CE1-OE1 3.9Å; H151-E160 IonicContact CE1-OE2 3.06Å; H151-E160 IonicContact NE2-OE1 2.91Å; H151-E160 PolarHBondContact NE2-OE1 3.37Å; H151-E160 IonicContact NE2-OE2 2.7Å; H151-E160 PolarHBondContact NE2-OE2 3.07Å |
| 161 | C | 87.3 | Confident | 82.8 | Confident | 46 Ų | 46 | 63.8 Ų | 63.8 | 31% | 0.311 | 35% | 0.35 | S | S | . | . | P | Polyproline II helix | trans | -73.2 | 142.4 | -174.4 | -56.2 | 0 | 0 | 0 | 0 | 113.3 | C159 Y165 C170 | C159-C161 PolarHBondContact O-N 3.33Å; C161-Y165 WeakPolarHBondContact CB-O 3.37Å; C161-C170 WeakPolarHBondContact CA-SG 3.2Å; C161-C170 HydrophobicContact CB-CB 3.68Å; C161-C170 WeakPolarHBondContact CB-SG 3.01Å; C161-C170 WeakPolarHBondContact SG-CA 3.38Å; C161-C170 WeakPolarHBondContact SG-CB 3.49Å; C161-C170 CovalentContact SG-SG 2.04Å; C161-C170 PolarHBondContact SG-SG 3.17Å |
| 162 | A | 82.5 | Confident | 82.5 | Confident | 38 Ų | 38 | 63.4 Ų | 63.4 | 31% | 0.314 | 35% | 0.354 | S | S | . | . | P | Polyproline II helix | trans | -62.6 | 152.5 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | N146 G164 Y165 | N146-A162 WeakPolarHBondContact O-CB 3.19Å; A162-G164 PolarHBondContact O-N 2.04Å; A162-G164 VanDerWaalsContact O-N 3.17Å; A162-Y165 PolarHBondContact O-N 3.06Å; A162-Y165 VanDerWaalsContact O-N 3.1Å |
| 163 | A | 78.8 | Confident | 82.3 | Confident | 77 Ų | 77 | 62.1 Ų | 62.1 | 64% | 0.636 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | 122.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | N193 | A163-N193 WeakPolarHBondContact CB-ND2 3.43Å; A163-N193 WeakPolarHBondContact O-CB 3.34Å; A163-N193 PolarHBondContact O-ND2 2.9Å |
| 164 | G | 72.6 | Confident | 82.2 | Confident | 4 Ų | 4 | 60.8 Ų | 60.8 | 4% | 0.041 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 104.4 | -2.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | A162 N173 I174 | A162-G164 PolarHBondContact O-N 2.04Å; A162-G164 VanDerWaalsContact O-N 3.17Å; G164-N173 WeakPolarHBondContact O-CA 3.21Å; G164-N173 PolarHBondContact O-OD1 3.21Å; G164-N173 VanDerWaalsContact O-OD1 3.09Å; G164-I174 PolarHBondContact O-N 2.77Å |
| 165 | Y | 83.1 | Confident | 82.5 | Confident | 40 Ų | 40 | 58.4 Ų | 58.4 | 16% | 0.157 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 149.1 | 176.4 | -65.3 | -88.3 | 0 | 0 | 0 | 112.5 | N146 C161 A162 T172 N173 I192 | N146-Y165 HydrophobicContact CB-CD1 3.72Å; N146-Y165 HydrophobicContact CB-CD2 3.84Å; N146-Y165 HydrophobicContact CB-CE1 3.63Å; N146-Y165 HydrophobicContact CB-CE2 3.76Å; N146-Y165 HydrophobicContact CB-CG 3.81Å; N146-Y165 VanDerWaalsContact ND2-CD1 3.33Å; N146-Y165 WeakPolarHBondContact ND2-CD1 3.47Å; N146-Y165 WeakPolarHBondContact ND2-CE1 3.23Å; C161-Y165 WeakPolarHBondContact CB-O 3.37Å; A162-Y165 PolarHBondContact O-N 3.06Å; A162-Y165 VanDerWaalsContact O-N 3.1Å; Y165-T172 CarbonylContact C-O 3.47Å; Y165-T172 WeakPolarHBondContact CA-O 3.45Å; Y165-N173 HydrophobicContact CD1-CB 4.49Å; Y165-N173 HydrophobicContact CE1-CB 4.37Å; Y165-I192 HydrophobicContact CE2-CG2 3.78Å; Y165-I192 WeakPolarHBondContact OH-CG2 3.02Å |
| 166 | E | 81.9 | Confident | 82.8 | Confident | 99 Ų | 99 | 57.9 Ų | 57.9 | 46% | 0.463 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 173.9 | 176.8 | 69.8 | 177.4 | -171.9 | 0 | 0 | 111.8 | T171 T172 I174 | E166-T171 PolarHBondContact O-N 3Å; E166-T172 HydrophobicContact CG-CG2 3.9Å; E166-T172 PolarHBondContact N-O 3.11Å; E166-T172 WeakPolarHBondContact O-CB 3.49Å; E166-T172 PolarHBondContact O-N 3.1Å; E166-T172 VanDerWaalsContact O-N 3.09Å; E166-I174 HydrophobicContact CB-CG1 4.03Å; E166-I174 HydrophobicContact CG-CG1 4.14Å |
| 167 | G | 84.3 | Confident | 83 | Confident | 43 Ų | 43 | 56.1 Ų | 56.1 | 44% | 0.443 | 31% | 0.313 | S | S | . | . | S | Bend | trans | 95.3 | 162.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | N169 C170 | G167-N169 PolarHBondContact O-N 2.86Å; G167-N169 VanDerWaalsContact O-N 3.11Å; G167-C170 PolarHBondContact O-N 3.43Å |
| 168 | K | 84.7 | Confident | 82.8 | Confident | 116 Ų | 116 | 64 Ų | 64 | 50% | 0.504 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -32.4 | -175.2 | -175.6 | 169.8 | 176.4 | 164.4 | 0 | 113.2 | D156 Y157 C159 | D156-K168 VanDerWaalsContact CG-NZ 3.28Å; D156-K168 IonicContact OD1-NZ 2.96Å; D156-K168 PolarHBondContact OD1-NZ 3.25Å; D156-K168 IonicContact OD2-NZ 3.59Å; D156-K168 PolarHBondContact OD2-NZ 3.09Å; Y157-K168 HydrophobicContact CE2-CG 4.25Å; C159-K168 VanDerWaalsContact CB-O 3.29Å; C159-K168 WeakPolarHBondContact CB-O 3.47Å; C159-K168 PolarHBondContact SG-O 2.9Å; C159-K168 VanDerWaalsContact SG-O 3.35Å |
| 169 | N | 88.3 | Confident | 82.6 | Confident | 51 Ų | 51 | 66.6 Ų | 66.6 | 27% | 0.273 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.5 | 11.8 | -177.3 | -64.1 | -0.6 | 0 | 0 | 0 | 112.6 | P143 Q145 Y157 G167 T171 | P143-N169 WeakPolarHBondContact O-CB 3.33Å; Q145-N169 PolarHBondContact N-O 2.75Å; Y157-N169 WeakPolarHBondContact CE2-OD1 3.29Å; Y157-N169 PolarHBondContact OH-OD1 2.02Å; G167-N169 PolarHBondContact O-N 2.86Å; G167-N169 VanDerWaalsContact O-N 3.11Å; N169-T171 HydrophobicContact CB-CG2 3.86Å; N169-T171 PolarHBondContact O-N 3.09Å |
| 170 | C | 87.2 | Confident | 82.2 | Confident | 0 Ų | 0 | 70.4 Ų | 70.4 | 0% | 0 | 38% | 0.379 | C | S | . | . | S | Bend | trans | 56.9 | 33.1 | -176.9 | -49.3 | 0 | 0 | 0 | 0 | 114.1 | Q145 N146 C159 C161 G167 | Q145-C170 WeakPolarHBondContact O-CB 3.22Å; N146-C170 PolarHBondContact ND2-O 3.32Å; C159-C170 VanDerWaalsContact CB-SG 3.53Å; C161-C170 WeakPolarHBondContact CA-SG 3.2Å; C161-C170 HydrophobicContact CB-CB 3.68Å; C161-C170 WeakPolarHBondContact CB-SG 3.01Å; C161-C170 WeakPolarHBondContact SG-CA 3.38Å; C161-C170 WeakPolarHBondContact SG-CB 3.49Å; C161-C170 CovalentContact SG-SG 2.04Å; C161-C170 PolarHBondContact SG-SG 3.17Å; G167-C170 PolarHBondContact O-N 3.43Å |
| 171 | T | 83.9 | Confident | 81.9 | Confident | 70 Ų | 70 | 67.4 Ų | 67.4 | 43% | 0.429 | 37% | 0.368 | S | S | . | . | trans | -87.5 | -23.8 | -175.5 | 49.2 | 0 | 0 | 0 | 0 | 113.5 | Q145 E166 N169 | Q145-T171 HydrophobicContact CB-CG2 4.24Å; Q145-T171 HydrophobicContact CG-CG2 4.16Å; E166-T171 PolarHBondContact O-N 3Å; N169-T171 HydrophobicContact CB-CG2 3.86Å; N169-T171 PolarHBondContact O-N 3.09Å | ||
| 172 | T | 79.7 | Confident | 81.8 | Confident | 66 Ų | 66 | 65.2 Ų | 65.2 | 41% | 0.405 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 124.7 | -171.7 | -54.2 | 0 | 0 | 0 | 0 | 109.3 | Y165 E166 | Y165-T172 CarbonylContact C-O 3.47Å; Y165-T172 WeakPolarHBondContact CA-O 3.45Å; E166-T172 HydrophobicContact CG-CG2 3.9Å; E166-T172 PolarHBondContact N-O 3.11Å; E166-T172 WeakPolarHBondContact O-CB 3.49Å; E166-T172 PolarHBondContact O-N 3.1Å; E166-T172 VanDerWaalsContact O-N 3.09Å |
| 173 | N | 76.2 | Confident | 81.9 | Confident | 45 Ų | 45 | 65.1 Ų | 65.1 | 24% | 0.241 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 131.8 | 169.9 | -177.4 | -10.3 | 0 | 0 | 0 | 108.9 | G164 Y165 D175 G191 I192 | G164-N173 WeakPolarHBondContact O-CA 3.21Å; G164-N173 PolarHBondContact O-OD1 3.21Å; G164-N173 VanDerWaalsContact O-OD1 3.09Å; Y165-N173 HydrophobicContact CD1-CB 4.49Å; Y165-N173 HydrophobicContact CE1-CB 4.37Å; N173-D175 PolarHBondContact O-N 2.78Å; N173-G191 PolarHBondContact ND2-O 2.9Å; N173-G191 PolarHBondContact OD1-O 2.78Å; N173-I192 WeakPolarHBondContact ND2-CA 3.49Å |
| 174 | I | 77.7 | Confident | 82.2 | Confident | 62 Ų | 62 | 65.4 Ų | 65.4 | 32% | 0.318 | 36% | 0.358 | S | S | . | . | P | Polyproline II helix | trans | -62.3 | 118.8 | 176.4 | -63.8 | 172.4 | 0 | 0 | 0 | 108.7 | G164 E166 K176 N190 | G164-I174 PolarHBondContact O-N 2.77Å; E166-I174 HydrophobicContact CB-CG1 4.03Å; E166-I174 HydrophobicContact CG-CG1 4.14Å; I174-K176 PolarHBondContact O-N 3.43Å; I174-N190 PolarHBondContact O-ND2 3.18Å; I174-N190 PolarHBondContact O-OD1 3.09Å |
| 175 | D | 77.2 | Confident | 82.7 | Confident | 82 Ų | 82 | 68.2 Ų | 68.2 | 44% | 0.439 | 37% | 0.37 | S | S | . | . | trans | -73.6 | 93.3 | 177.2 | -174.6 | 7.3 | 0 | 0 | 0 | 111.4 | N173 C177 R178 | N173-D175 PolarHBondContact O-N 2.78Å; D175-C177 PolarHBondContact O-N 2.88Å; D175-C177 WeakPolarHBondContact OD1-CA 3.47Å; D175-C177 VanDerWaalsContact OD1-CB 3.3Å; D175-C177 WeakPolarHBondContact OD1-CB 3.47Å; D175-C177 PolarHBondContact OD1-N 3.31Å; D175-R178 HydrophobicContact CB-CB 4.47Å; D175-R178 WeakPolarHBondContact O-CB 3.3Å; D175-R178 PolarHBondContact O-N 3.11Å; D175-R178 PolarHBondContact OD1-N 3.48Å | ||
| 176 | K | 78 | Confident | 82.8 | Confident | 75 Ų | 75 | 66.8 Ų | 66.8 | 33% | 0.326 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -10.5 | 176.2 | -66.3 | -165.4 | 178.4 | -172.2 | 0 | 112.8 | I174 N190 N193 Y195 | I174-K176 PolarHBondContact O-N 3.43Å; K176-N190 PolarHBondContact N-OD1 3Å; K176-N190 VanDerWaalsContact N-OD1 3.11Å; K176-N193 WeakPolarHBondContact CE-OD1 3.41Å; K176-N193 VanDerWaalsContact NZ-C 3.32Å; K176-N193 PolarHBondContact NZ-O 2.88Å; K176-N193 PolarHBondContact NZ-OD1 3.26Å; K176-Y195 HydrophobicContact CB-CD1 4.07Å; K176-Y195 HydrophobicContact CB-CG 4.49Å; K176-Y195 HydrophobicContact CD-CD1 4.4Å |
| 177 | C | 84.3 | Confident | 83.1 | Confident | 25 Ų | 25 | 66.4 Ų | 66.4 | 17% | 0.169 | 37% | 0.372 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -8.2 | 175 | -69.4 | 0 | 0 | 0 | 0 | 113.7 | D175 N179 N180 C188 E189 N190 | D175-C177 PolarHBondContact O-N 2.88Å; D175-C177 WeakPolarHBondContact OD1-CA 3.47Å; D175-C177 VanDerWaalsContact OD1-CB 3.3Å; D175-C177 WeakPolarHBondContact OD1-CB 3.47Å; D175-C177 PolarHBondContact OD1-N 3.31Å; C177-N179 PolarHBondContact O-N 3.44Å; C177-N179 VanDerWaalsContact O-N 3.11Å; C177-N180 PolarHBondContact O-N 2.78Å; C177-C188 WeakPolarHBondContact CA-SG 3.45Å; C177-C188 HydrophobicContact CB-CB 3.73Å; C177-C188 WeakPolarHBondContact CB-SG 3.42Å; C177-C188 WeakPolarHBondContact SG-CB 3.37Å; C177-C188 CovalentContact SG-SG 2.04Å; C177-C188 PolarHBondContact SG-SG 3.35Å; C177-E189 VanDerWaalsContact SG-C 3.51Å; C177-N190 HydrophobicContact CB-CB 4.43Å; C177-N190 PolarHBondContact SG-N 2.97Å; C177-N190 VanDerWaalsContact SG-N 3.35Å |
| 178 | R | 82.5 | Confident | 83.3 | Confident | 208 Ų | 208 | 65.7 Ų | 65.7 | 79% | 0.785 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | -34.4 | -175.8 | -175.7 | 174.5 | 179.3 | 173.2 | 0.9 | 114.6 | D175 | D175-R178 HydrophobicContact CB-CB 4.47Å; D175-R178 WeakPolarHBondContact O-CB 3.3Å; D175-R178 PolarHBondContact O-N 3.11Å; D175-R178 PolarHBondContact OD1-N 3.48Å |
| 179 | N | 82.9 | Confident | 83.4 | Confident | 150 Ų | 150 | 64.2 Ų | 64.2 | 80% | 0.802 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.9 | 11.7 | -180 | -67.5 | -23 | 0 | 0 | 0 | 113.5 | C177 | C177-N179 PolarHBondContact O-N 3.44Å; C177-N179 VanDerWaalsContact O-N 3.11Å |
| 180 | N | 82.5 | Confident | 82.9 | Confident | 86 Ų | 86 | 64.8 Ų | 64.8 | 46% | 0.46 | 36% | 0.358 | S | S | . | . | trans | 46.6 | 64.8 | -175 | -168.9 | 29.5 | 0 | 0 | 0 | 113.9 | C177 C182 G183 | C177-N180 PolarHBondContact O-N 2.78Å; N180-C182 PolarHBondContact O-N 3.07Å; N180-C182 VanDerWaalsContact O-N 3.13Å; N180-G183 PolarHBondContact ND2-O 3.31Å; N180-G183 PolarHBondContact O-N 3.11Å | ||
| 181 | P | 85.3 | Confident | 82.2 | Confident | 32 Ų | 32 | 65.6 Ų | 65.6 | 21% | 0.208 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -19.8 | -177.5 | 27.7 | -35.8 | 0 | 0 | 0 | 113.9 | G183 Y195 N207 | P181-G183 VanDerWaalsContact C-N 3.25Å; P181-G183 PolarHBondContact O-N 3.5Å; P181-Y195 HydrophobicContact CB-CD2 4.19Å; P181-Y195 HydrophobicContact CB-CE1 4.33Å; P181-Y195 HydrophobicContact CB-CE2 3.64Å; P181-Y195 HydrophobicContact CG-CD1 4.33Å; P181-Y195 HydrophobicContact CG-CD2 3.56Å; P181-Y195 HydrophobicContact CG-CE1 4.33Å; P181-Y195 HydrophobicContact CG-CE2 3.56Å; P181-Y195 HydrophobicContact CG-CG 3.96Å; P181-N207 VanDerWaalsContact O-CB 3.26Å; P181-N207 WeakPolarHBondContact O-CB 3.41Å; P181-N207 VanDerWaalsContact O-CG 3.25Å; P181-N207 PolarHBondContact O-OD1 3.02Å |
| 182 | C | 85.4 | Confident | 81.5 | Confident | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | 3.6 | -179 | -49.4 | 0 | 0 | 0 | 0 | 114.4 | N180 G186 C188 C197 N207 | N180-C182 PolarHBondContact O-N 3.07Å; N180-C182 VanDerWaalsContact O-N 3.13Å; C182-G186 WeakPolarHBondContact CB-O 3.39Å; C182-G186 PolarHBondContact O-N 2.91Å; C182-C188 HydrophobicContact CB-CB 4.45Å; C182-C188 WeakPolarHBondContact SG-CA 3.47Å; C182-C188 WeakPolarHBondContact SG-CB 3.33Å; C182-C197 WeakPolarHBondContact CA-SG 3.46Å; C182-C197 HydrophobicContact CB-CB 3.69Å; C182-C197 WeakPolarHBondContact CB-SG 2.98Å; C182-C197 WeakPolarHBondContact SG-CA 3.24Å; C182-C197 WeakPolarHBondContact SG-CB 3.26Å; C182-C197 CovalentContact SG-SG 2.02Å; C182-C197 PolarHBondContact SG-SG 3.3Å; C182-N207 CarbonylContact C-O 3.59Å; C182-N207 WeakPolarHBondContact CA-O 3.37Å |
| 183 | G | 84 | Confident | 80.9 | Confident | 36 Ų | 36 | 67.7 Ų | 67.7 | 37% | 0.371 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.1 | -154.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | N180 P181 | N180-G183 PolarHBondContact ND2-O 3.31Å; N180-G183 PolarHBondContact O-N 3.11Å; P181-G183 VanDerWaalsContact C-N 3.25Å; P181-G183 PolarHBondContact O-N 3.5Å |
| 184 | A | 84.4 | Confident | 80.9 | Confident | 83 Ų | 83 | 71.7 Ų | 71.7 | 69% | 0.686 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -17.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 185 | H | 83.2 | Confident | 81.1 | Confident | 64 Ų | 64 | 71 Ų | 71 | 30% | 0.296 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -112.1 | 19.4 | -169 | -58.7 | -60.4 | 0 | 0 | 0 | 113.5 | C199 E200 Y203 C208 | H185-C199 WeakPolarHBondContact O-CA 3.44Å; H185-E200 IonicContact ND1-OE2 3.12Å; H185-E200 PolarHBondContact ND1-OE2 3.49Å; H185-E200 PolarHBondContact O-N 2.72Å; H185-Y203 HydrophobicContact CB-CD1 3.87Å; H185-Y203 HydrophobicContact CB-CD2 3.65Å; H185-Y203 HydrophobicContact CB-CE1 4.21Å; H185-Y203 HydrophobicContact CB-CE2 4Å; H185-Y203 HydrophobicContact CB-CG 3.59Å; H185-Y203 AromaticContact CD2-CD1 3.85Å; H185-Y203 AromaticContact CD2-CE1 3.37Å; H185-Y203 WeakPolarHBondContact CD2-CE1 3.03Å; H185-Y203 AromaticContact CD2-CZ 3.47Å; H185-Y203 VanDerWaalsContact CD2-CZ 3.47Å; H185-Y203 AromaticContact CE1-CE2 3.84Å; H185-Y203 AromaticContact CE1-CZ 3.57Å; H185-Y203 PolarHBondContact CE1-OH 3.37Å; H185-Y203 AromaticContact CG-CD1 3.87Å; H185-Y203 AromaticContact CG-CD2 3.74Å; H185-Y203 AromaticContact CG-CE1 3.67Å; H185-Y203 AromaticContact CG-CE2 3.54Å; H185-Y203 AromaticContact CG-CG 3.91Å; H185-Y203 AromaticContact CG-CZ 3.5Å; H185-Y203 AromaticContact ND1-CD2 3.97Å; H185-Y203 AromaticContact ND1-CE2 3.42Å; H185-Y203 WeakPolarHBondContact ND1-CE2 3.17Å; H185-Y203 AromaticContact ND1-CZ 3.57Å; H185-Y203 AromaticContact NE2-CE1 3.82Å; H185-Y203 AromaticContact NE2-CZ 3.54Å; H185-Y203 PolarHBondContact NE2-OH 3.13Å; H185-C208 HydrophobicContact CB-CB 4.47Å; H185-C208 WeakPolarHBondContact O-CB 3.05Å |
| 186 | G | 85.1 | Confident | 81.5 | Confident | 10 Ų | 10 | 70.3 Ų | 70.3 | 10% | 0.103 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 144.1 | 179 | 0 | 0 | 0 | 0 | 0 | 113.8 | C182 K198 | C182-G186 WeakPolarHBondContact CB-O 3.39Å; C182-G186 PolarHBondContact O-N 2.91Å; G186-K198 CarbonylContact C-O 3.49Å; G186-K198 VanDerWaalsContact CA-O 3.29Å; G186-K198 WeakPolarHBondContact CA-O 3.08Å |
| 187 | T | 88.8 | Confident | 82 | Confident | 90 Ų | 90 | 67.8 Ų | 67.8 | 55% | 0.552 | 37% | 0.371 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 121.8 | 172.4 | -54.6 | 0 | 0 | 0 | 0 | 109.9 | K198 | T187-K198 PolarHBondContact N-O 2.04Å; T187-K198 PolarHBondContact O-N 2.02Å |
| 188 | C | 88.3 | Confident | 82.2 | Confident | 28 Ų | 28 | 72.1 Ų | 72.1 | 19% | 0.189 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 130 | -179.2 | -166.1 | 0 | 0 | 0 | 0 | 112.7 | C177 C182 | C177-C188 WeakPolarHBondContact CA-SG 3.45Å; C177-C188 HydrophobicContact CB-CB 3.73Å; C177-C188 WeakPolarHBondContact CB-SG 3.42Å; C177-C188 WeakPolarHBondContact SG-CB 3.37Å; C177-C188 CovalentContact SG-SG 2.04Å; C177-C188 PolarHBondContact SG-SG 3.35Å; C182-C188 HydrophobicContact CB-CB 4.45Å; C182-C188 WeakPolarHBondContact SG-CA 3.47Å; C182-C188 WeakPolarHBondContact SG-CB 3.33Å |
| 189 | E | 85.7 | Confident | 82.4 | Confident | 85 Ų | 85 | 64.5 Ų | 64.5 | 40% | 0.397 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 117.1 | 170.7 | -62.8 | -171.5 | 145.4 | 0 | 0 | 110.2 | C177 Y195 T196 K198 | C177-E189 VanDerWaalsContact SG-C 3.51Å; E189-Y195 CarbonylContact O-C 3.48Å; E189-Y195 WeakPolarHBondContact O-CA 3.4Å; E189-T196 PolarHBondContact N-O 3.27Å; E189-T196 PolarHBondContact O-N 3.23Å; E189-K198 VanDerWaalsContact CD-NZ 3.32Å; E189-K198 HydrophobicContact CG-CD 4.45Å; E189-K198 WeakPolarHBondContact OE1-CE 3.41Å; E189-K198 IonicContact OE1-NZ 3.42Å; E189-K198 PolarHBondContact OE1-NZ 3.31Å; E189-K198 WeakPolarHBondContact OE2-CE 3.02Å; E189-K198 IonicContact OE2-NZ 2.76Å; E189-K198 PolarHBondContact OE2-NZ 2.04Å |
| 190 | N | 78.1 | Confident | 82.5 | Confident | 64 Ų | 64 | 62.4 Ų | 62.4 | 34% | 0.342 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 133.4 | 179.3 | -168.6 | 41.5 | 0 | 0 | 0 | 110.6 | I174 K176 C177 | I174-N190 PolarHBondContact O-ND2 3.18Å; I174-N190 PolarHBondContact O-OD1 3.09Å; K176-N190 PolarHBondContact N-OD1 3Å; K176-N190 VanDerWaalsContact N-OD1 3.11Å; C177-N190 HydrophobicContact CB-CB 4.43Å; C177-N190 PolarHBondContact SG-N 2.97Å; C177-N190 VanDerWaalsContact SG-N 3.35Å |
| 191 | G | 72.5 | Confident | 82.3 | Confident | 17 Ų | 17 | 67.9 Ų | 67.9 | 18% | 0.175 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 180 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | N173 N193 K194 | N173-G191 PolarHBondContact ND2-O 2.9Å; N173-G191 PolarHBondContact OD1-O 2.78Å; G191-N193 PolarHBondContact O-N 2.81Å; G191-K194 CarbonylContact C-O 3.53Å; G191-K194 VanDerWaalsContact CA-O 3.24Å; G191-K194 WeakPolarHBondContact CA-O 3.44Å; G191-K194 PolarHBondContact N-O 3.13Å; G191-K194 VanDerWaalsContact O-O 3.12Å |
| 192 | I | 68.8 | Low | 81.6 | Confident | 109 Ų | 109 | 67.2 Ų | 67.2 | 56% | 0.559 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | 112.6 | 175.4 | -59.5 | 169 | 0 | 0 | 0 | 108.5 | Y165 N173 K194 | Y165-I192 HydrophobicContact CE2-CG2 3.78Å; Y165-I192 WeakPolarHBondContact OH-CG2 3.02Å; N173-I192 WeakPolarHBondContact ND2-CA 3.49Å; I192-K194 PolarHBondContact O-N 3.38Å; I192-K194 VanDerWaalsContact O-N 3.07Å |
| 193 | N | 67.9 | Low | 81.4 | Confident | 71 Ų | 71 | 70.1 Ų | 70.1 | 38% | 0.38 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.2 | 19.9 | -176.8 | -159.7 | 13 | 0 | 0 | 0 | 115.1 | A163 K176 G191 | A163-N193 WeakPolarHBondContact CB-ND2 3.43Å; A163-N193 WeakPolarHBondContact O-CB 3.34Å; A163-N193 PolarHBondContact O-ND2 2.9Å; K176-N193 WeakPolarHBondContact CE-OD1 3.41Å; K176-N193 VanDerWaalsContact NZ-C 3.32Å; K176-N193 PolarHBondContact NZ-O 2.88Å; K176-N193 PolarHBondContact NZ-OD1 3.26Å; G191-N193 PolarHBondContact O-N 2.81Å |
| 194 | K | 75.7 | Confident | 81.1 | Confident | 129 Ų | 129 | 71 Ų | 71 | 56% | 0.561 | 38% | 0.382 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 160 | 177.7 | 66.8 | -179.8 | -179.3 | 176.4 | 0 | 110.5 | G191 I192 | G191-K194 CarbonylContact C-O 3.53Å; G191-K194 VanDerWaalsContact CA-O 3.24Å; G191-K194 WeakPolarHBondContact CA-O 3.44Å; G191-K194 PolarHBondContact N-O 3.13Å; G191-K194 VanDerWaalsContact O-O 3.12Å; I192-K194 PolarHBondContact O-N 3.38Å; I192-K194 VanDerWaalsContact O-N 3.07Å |
| 195 | Y | 83.2 | Confident | 80.8 | Confident | 47 Ų | 47 | 68.4 Ų | 68.4 | 18% | 0.184 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 154.3 | 163.9 | 66.3 | -84.8 | 0 | 0 | 0 | 108.4 | K176 P181 E189 C197 W206 N207 | K176-Y195 HydrophobicContact CB-CD1 4.07Å; K176-Y195 HydrophobicContact CB-CG 4.49Å; K176-Y195 HydrophobicContact CD-CD1 4.4Å; P181-Y195 HydrophobicContact CB-CD2 4.19Å; P181-Y195 HydrophobicContact CB-CE1 4.33Å; P181-Y195 HydrophobicContact CB-CE2 3.64Å; P181-Y195 HydrophobicContact CG-CD1 4.33Å; P181-Y195 HydrophobicContact CG-CD2 3.56Å; P181-Y195 HydrophobicContact CG-CE1 4.33Å; P181-Y195 HydrophobicContact CG-CE2 3.56Å; P181-Y195 HydrophobicContact CG-CG 3.96Å; E189-Y195 CarbonylContact O-C 3.48Å; E189-Y195 WeakPolarHBondContact O-CA 3.4Å; Y195-C197 VanDerWaalsContact CE2-SG 3.58Å; Y195-W206 AromaticContact CE1-NE1 3.99Å; Y195-W206 AromaticContact CE2-NE1 3.67Å; Y195-W206 AromaticContact CZ-CD1 3.85Å; Y195-W206 AromaticContact CZ-NE1 3.33Å; Y195-W206 VanDerWaalsContact CZ-NE1 3.33Å; Y195-W206 VanDerWaalsContact OH-CD1 3.27Å; Y195-W206 PolarHBondContact OH-NE1 3.36Å; Y195-W206 VanDerWaalsContact OH-NE1 3.13Å; Y195-N207 PolarHBondContact OH-OD1 2.89Å |
| 196 | T | 84.2 | Confident | 80.8 | Confident | 68 Ų | 68 | 74.1 Ų | 74.1 | 42% | 0.417 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 129.4 | 174.4 | -51.4 | 0 | 0 | 0 | 0 | 108.1 | E189 | E189-T196 PolarHBondContact N-O 3.27Å; E189-T196 PolarHBondContact O-N 3.23Å |
| 197 | C | 88.6 | Confident | 80.7 | Confident | 22 Ų | 22 | 76.1 Ų | 76.1 | 15% | 0.149 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 124.5 | 174.1 | -64.5 | 0 | 0 | 0 | 0 | 110.8 | C182 Y195 W206 | C182-C197 WeakPolarHBondContact CA-SG 3.46Å; C182-C197 HydrophobicContact CB-CB 3.69Å; C182-C197 WeakPolarHBondContact CB-SG 2.98Å; C182-C197 WeakPolarHBondContact SG-CA 3.24Å; C182-C197 WeakPolarHBondContact SG-CB 3.26Å; C182-C197 CovalentContact SG-SG 2.02Å; C182-C197 PolarHBondContact SG-SG 3.3Å; Y195-C197 VanDerWaalsContact CE2-SG 3.58Å; C197-W206 WeakPolarHBondContact CB-O 3.19Å; C197-W206 PolarHBondContact SG-O 3.39Å; C197-W206 VanDerWaalsContact SG-O 3.39Å |
| 198 | K | 88.4 | Confident | 80.5 | Confident | 115 Ų | 115 | 72 Ų | 72 | 50% | 0.5 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 101.9 | 168.5 | -73.4 | 178.7 | 169.5 | 171.3 | 0 | 109 | G186 T187 E189 | G186-K198 CarbonylContact C-O 3.49Å; G186-K198 VanDerWaalsContact CA-O 3.29Å; G186-K198 WeakPolarHBondContact CA-O 3.08Å; T187-K198 PolarHBondContact N-O 2.04Å; T187-K198 PolarHBondContact O-N 2.02Å; E189-K198 VanDerWaalsContact CD-NZ 3.32Å; E189-K198 HydrophobicContact CG-CD 4.45Å; E189-K198 WeakPolarHBondContact OE1-CE 3.41Å; E189-K198 IonicContact OE1-NZ 3.42Å; E189-K198 PolarHBondContact OE1-NZ 3.31Å; E189-K198 WeakPolarHBondContact OE2-CE 3.02Å; E189-K198 IonicContact OE2-NZ 2.76Å; E189-K198 PolarHBondContact OE2-NZ 2.04Å |
| 199 | C | 87.2 | Confident | 80.2 | Confident | 49 Ų | 49 | 75.9 Ų | 75.9 | 33% | 0.331 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 144.8 | -177 | -52.6 | 0 | 0 | 0 | 0 | 113 | H185 C208 | H185-C199 WeakPolarHBondContact O-CA 3.44Å; C199-C208 WeakPolarHBondContact CA-SG 3.47Å; C199-C208 HydrophobicContact CB-CB 3.7Å; C199-C208 WeakPolarHBondContact CB-SG 3.42Å; C199-C208 PolarHBondContact N-SG 2.95Å; C199-C208 WeakPolarHBondContact SG-CA 3.42Å; C199-C208 WeakPolarHBondContact SG-CB 3.29Å; C199-C208 CovalentContact SG-SG 2.04Å; C199-C208 PolarHBondContact SG-SG 3.41Å |
| 200 | E | 86.2 | Confident | 79.7 | Confident | 105 Ų | 105 | 75.3 Ų | 75.3 | 49% | 0.491 | 38% | 0.382 | S | S | . | . | trans | -65 | 160.3 | 171.1 | -67.8 | -178.6 | 159.9 | 0 | 0 | 111.9 | H185 G202 Y203 | H185-E200 IonicContact ND1-OE2 3.12Å; H185-E200 PolarHBondContact ND1-OE2 3.49Å; H185-E200 PolarHBondContact O-N 2.72Å; E200-G202 PolarHBondContact O-N 2.84Å; E200-Y203 PolarHBondContact O-N 3.42Å; E200-Y203 VanDerWaalsContact O-N 3.14Å | ||
| 201 | Q | 77.7 | Confident | 79.5 | Confident | 202 Ų | 202 | 76.1 Ų | 76.1 | 94% | 0.944 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | 112.2 | 176.8 | -171.7 | 174.6 | 14.7 | 0 | 0 | 109.8 | ||
| 202 | G | 70.9 | Confident | 79.1 | Confident | 17 Ų | 17 | 78.8 Ų | 78.8 | 18% | 0.175 | 39% | 0.391 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 118 | -5.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | E200 K212 | E200-G202 PolarHBondContact O-N 2.84Å; G202-K212 WeakPolarHBondContact O-CB 3.26Å; G202-K212 PolarHBondContact O-N 3.23Å |
| 203 | Y | 81.3 | Confident | 78.9 | Confident | 61 Ų | 61 | 75.9 Ų | 75.9 | 24% | 0.239 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 154.9 | 177.2 | -66.5 | -94.2 | 0 | 0 | 0 | 112.1 | H185 E200 I210 E211 K212 | H185-Y203 HydrophobicContact CB-CD1 3.87Å; H185-Y203 HydrophobicContact CB-CD2 3.65Å; H185-Y203 HydrophobicContact CB-CE1 4.21Å; H185-Y203 HydrophobicContact CB-CE2 4Å; H185-Y203 HydrophobicContact CB-CG 3.59Å; H185-Y203 AromaticContact CD2-CD1 3.85Å; H185-Y203 AromaticContact CD2-CE1 3.37Å; H185-Y203 WeakPolarHBondContact CD2-CE1 3.03Å; H185-Y203 AromaticContact CD2-CZ 3.47Å; H185-Y203 VanDerWaalsContact CD2-CZ 3.47Å; H185-Y203 AromaticContact CE1-CE2 3.84Å; H185-Y203 AromaticContact CE1-CZ 3.57Å; H185-Y203 PolarHBondContact CE1-OH 3.37Å; H185-Y203 AromaticContact CG-CD1 3.87Å; H185-Y203 AromaticContact CG-CD2 3.74Å; H185-Y203 AromaticContact CG-CE1 3.67Å; H185-Y203 AromaticContact CG-CE2 3.54Å; H185-Y203 AromaticContact CG-CG 3.91Å; H185-Y203 AromaticContact CG-CZ 3.5Å; H185-Y203 AromaticContact ND1-CD2 3.97Å; H185-Y203 AromaticContact ND1-CE2 3.42Å; H185-Y203 WeakPolarHBondContact ND1-CE2 3.17Å; H185-Y203 AromaticContact ND1-CZ 3.57Å; H185-Y203 AromaticContact NE2-CE1 3.82Å; H185-Y203 AromaticContact NE2-CZ 3.54Å; H185-Y203 PolarHBondContact NE2-OH 3.13Å; E200-Y203 PolarHBondContact O-N 3.42Å; E200-Y203 VanDerWaalsContact O-N 3.14Å; Y203-I210 CarbonylContact C-O 3.26Å; Y203-I210 WeakPolarHBondContact CA-O 3.32Å; Y203-E211 HydrophobicContact CD1-CB 4.46Å; Y203-E211 HydrophobicContact CE1-CB 4.21Å; Y203-E211 HydrophobicContact CE1-CG 4.37Å; Y203-K212 VanDerWaalsContact O-CE 3.26Å; Y203-K212 WeakPolarHBondContact O-CE 3.21Å |
| 204 | T | 77 | Confident | 78.8 | Confident | 56 Ų | 56 | 75.8 Ų | 75.8 | 34% | 0.344 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | -176.8 | 178.4 | -167.7 | 0 | 0 | 0 | 0 | 109.3 | C208 D209 I210 K212 | T204-C208 CarbonylContact O-C 3.15Å; T204-C208 WeakPolarHBondContact O-CA 3.42Å; T204-D209 PolarHBondContact O-N 2.73Å; T204-I210 HydrophobicContact CG2-CB 3.74Å; T204-I210 HydrophobicContact CG2-CG2 3.69Å; T204-I210 PolarHBondContact N-O 2.92Å; T204-I210 WeakPolarHBondContact O-CB 3.48Å; T204-I210 PolarHBondContact O-N 3.36Å; T204-K212 HydrophobicContact CG2-CG 4.12Å |
| 205 | G | 78.6 | Confident | 78.6 | Confident | 27 Ų | 27 | 71.8 Ų | 71.8 | 28% | 0.278 | 36% | 0.36 | S | S | . | . | S | Bend | trans | 93.8 | 163.2 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | N207 C208 | G205-N207 PolarHBondContact O-N 2.62Å; G205-C208 PolarHBondContact O-N 2.84Å |
| 206 | W | 82.1 | Confident | 77.8 | Confident | 184 Ų | 184 | 73.9 Ų | 73.9 | 70% | 0.697 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -31.3 | -176.7 | -175.1 | -89.3 | 0 | 0 | 0 | 112.4 | Y195 C197 | Y195-W206 AromaticContact CE1-NE1 3.99Å; Y195-W206 AromaticContact CE2-NE1 3.67Å; Y195-W206 AromaticContact CZ-CD1 3.85Å; Y195-W206 AromaticContact CZ-NE1 3.33Å; Y195-W206 VanDerWaalsContact CZ-NE1 3.33Å; Y195-W206 VanDerWaalsContact OH-CD1 3.27Å; Y195-W206 PolarHBondContact OH-NE1 3.36Å; Y195-W206 VanDerWaalsContact OH-NE1 3.13Å; C197-W206 WeakPolarHBondContact CB-O 3.19Å; C197-W206 PolarHBondContact SG-O 3.39Å; C197-W206 VanDerWaalsContact SG-O 3.39Å |
| 207 | N | 83.8 | Confident | 76.6 | Confident | 53 Ų | 53 | 74.4 Ų | 74.4 | 28% | 0.283 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.1 | 14.5 | -179.9 | -69.5 | -23.4 | 0 | 0 | 0 | 112.8 | P181 C182 Y195 G205 D209 | P181-N207 VanDerWaalsContact O-CB 3.26Å; P181-N207 WeakPolarHBondContact O-CB 3.41Å; P181-N207 VanDerWaalsContact O-CG 3.25Å; P181-N207 PolarHBondContact O-OD1 3.02Å; C182-N207 CarbonylContact C-O 3.59Å; C182-N207 WeakPolarHBondContact CA-O 3.37Å; Y195-N207 PolarHBondContact OH-OD1 2.89Å; G205-N207 PolarHBondContact O-N 2.62Å; N207-D209 HydrophobicContact CB-CB 4.46Å; N207-D209 PolarHBondContact O-N 3.36Å |
| 208 | C | 84 | Confident | 75.3 | Confident | 2 Ų | 2 | 77.5 Ų | 77.5 | 1% | 0.014 | 39% | 0.391 | C | S | . | . | S | Bend | trans | 56.6 | 31.4 | -175.9 | -48.6 | 0 | 0 | 0 | 0 | 113.8 | H185 C199 T204 G205 | H185-C208 HydrophobicContact CB-CB 4.47Å; H185-C208 WeakPolarHBondContact O-CB 3.05Å; C199-C208 WeakPolarHBondContact CA-SG 3.47Å; C199-C208 HydrophobicContact CB-CB 3.7Å; C199-C208 WeakPolarHBondContact CB-SG 3.42Å; C199-C208 PolarHBondContact N-SG 2.95Å; C199-C208 WeakPolarHBondContact SG-CA 3.42Å; C199-C208 WeakPolarHBondContact SG-CB 3.29Å; C199-C208 CovalentContact SG-SG 2.04Å; C199-C208 PolarHBondContact SG-SG 3.41Å; T204-C208 CarbonylContact O-C 3.15Å; T204-C208 WeakPolarHBondContact O-CA 3.42Å; G205-C208 PolarHBondContact O-N 2.84Å |
| 209 | D | 82.5 | Confident | 74.2 | Confident | 111 Ų | 111 | 79.2 Ų | 79.2 | 59% | 0.594 | 41% | 0.405 | S | S | * | . | trans | -94.3 | -8.6 | -175 | 57 | -41.5 | 0 | 0 | 0 | 113.4 | T204 N207 | T204-D209 PolarHBondContact O-N 2.73Å; N207-D209 HydrophobicContact CB-CB 4.46Å; N207-D209 PolarHBondContact O-N 3.36Å | ||
| 210 | I | 75.8 | Confident | 73.4 | Confident | 72 Ų | 72 | 78 Ų | 78 | 37% | 0.369 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 114.4 | -178.4 | -54.8 | 174.9 | 0 | 0 | 0 | 108.6 | Y203 T204 K212 N217 | Y203-I210 CarbonylContact C-O 3.26Å; Y203-I210 WeakPolarHBondContact CA-O 3.32Å; T204-I210 HydrophobicContact CG2-CB 3.74Å; T204-I210 HydrophobicContact CG2-CG2 3.69Å; T204-I210 PolarHBondContact N-O 2.92Å; T204-I210 WeakPolarHBondContact O-CB 3.48Å; T204-I210 PolarHBondContact O-N 3.36Å; I210-K212 PolarHBondContact O-N 2.92Å; I210-N217 WeakPolarHBondContact CG2-ND2 3.26Å |
| 211 | E | 72.2 | Confident | 73.1 | Confident | 82 Ų | 82 | 79.7 Ų | 79.7 | 38% | 0.383 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 132 | 168.9 | -164.2 | -168.8 | -175.1 | 0 | 0 | 109.4 | Y203 N213 R229 | Y203-E211 HydrophobicContact CD1-CB 4.46Å; Y203-E211 HydrophobicContact CE1-CB 4.21Å; Y203-E211 HydrophobicContact CE1-CG 4.37Å; E211-N213 PolarHBondContact O-N 2.76Å; E211-R229 IonicContact OE1-CZ 2.92Å; E211-R229 VanDerWaalsContact OE1-CZ 3.25Å; E211-R229 IonicContact OE1-NH1 3.43Å; E211-R229 PolarHBondContact OE1-NH1 3.43Å; E211-R229 IonicContact OE1-NH2 2.76Å; E211-R229 PolarHBondContact OE1-NH2 3.15Å; E211-R229 IonicContact OE2-CZ 2.92Å; E211-R229 IonicContact OE2-NH1 3.25Å; E211-R229 IonicContact OE2-NH2 3.67Å; E211-R229 PolarHBondContact OE2-NH2 2.89Å |
| 212 | K | 65.2 | Low | 73.5 | Confident | 73 Ų | 73 | 70.8 Ų | 70.8 | 32% | 0.317 | 36% | 0.363 | S | S | . | . | trans | -67 | 100.9 | 176.2 | -73.4 | -178.2 | 165.7 | -147.8 | 0 | 109.6 | G202 Y203 T204 I210 E218 Y235 | G202-K212 WeakPolarHBondContact O-CB 3.26Å; G202-K212 PolarHBondContact O-N 3.23Å; Y203-K212 VanDerWaalsContact O-CE 3.26Å; Y203-K212 WeakPolarHBondContact O-CE 3.21Å; T204-K212 HydrophobicContact CG2-CG 4.12Å; I210-K212 PolarHBondContact O-N 2.92Å; K212-E218 IonicContact NZ-OE1 3.82Å; K212-E218 PolarHBondContact NZ-OE1 3.49Å; K212-E218 VanDerWaalsContact NZ-OE1 3.12Å; K212-Y235 PolarHBondContact O-OH 3.5Å | ||
| 213 | N | 65.4 | Low | 74.4 | Confident | 47 Ų | 47 | 73.4 Ų | 73.4 | 25% | 0.251 | 38% | 0.376 | S | S | . | . | trans | -95.1 | 113.6 | 169.3 | -173.8 | -16.1 | 0 | 0 | 0 | 110 | E211 C215 T216 N217 Y235 | E211-N213 PolarHBondContact O-N 2.76Å; N213-C215 PolarHBondContact O-N 2.74Å; N213-C215 WeakPolarHBondContact OD1-CB 3.3Å; N213-C215 PolarHBondContact OD1-N 3.14Å; N213-C215 PolarHBondContact OD1-SG 3.19Å; N213-T216 WeakPolarHBondContact CB-OG1 3.36Å; N213-T216 PolarHBondContact O-N 3.05Å; N213-T216 VanDerWaalsContact O-N 3.15Å; N213-N217 PolarHBondContact O-N 2.8Å; N213-Y235 WeakPolarHBondContact CA-OH 3.42Å; N213-Y235 VanDerWaalsContact OD1-CE1 3.3Å; N213-Y235 WeakPolarHBondContact OD1-CE1 3.04Å | ||
| 214 | K | 65.9 | Low | 74.7 | Confident | 70 Ų | 70 | 73 Ų | 73 | 30% | 0.304 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -23.6 | 179.4 | -65.7 | -169.5 | 178.1 | 159.5 | 0 | 112.9 | E218 L220 A233 Y235 | K214-E218 HydrophobicContact CG-CB 4.32Å; K214-L220 HydrophobicContact CB-CB 4.32Å; K214-L220 VanDerWaalsContact O-CB 3.26Å; K214-L220 WeakPolarHBondContact O-CB 3.2Å; K214-L220 PolarHBondContact O-N 3.06Å; K214-A233 WeakPolarHBondContact CE-O 3.39Å; K214-A233 PolarHBondContact NZ-O 2.87Å; K214-Y235 HydrophobicContact CB-CD1 4.25Å; K214-Y235 HydrophobicContact CB-CD2 3.53Å; K214-Y235 HydrophobicContact CB-CE2 4Å; K214-Y235 HydrophobicContact CB-CG 3.66Å; K214-Y235 HydrophobicContact CD-CD2 3.58Å; K214-Y235 HydrophobicContact CD-CE2 4.3Å; K214-Y235 HydrophobicContact CD-CG 4.25Å; K214-Y235 HydrophobicContact CG-CD2 3.43Å; K214-Y235 VanDerWaalsContact CG-CD2 3.43Å; K214-Y235 HydrophobicContact CG-CE2 3.77Å; K214-Y235 HydrophobicContact CG-CG 4.09Å |
| 215 | C | 69.8 | Low | 75.3 | Confident | 44 Ų | 44 | 70.9 Ų | 70.9 | 30% | 0.297 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -25.5 | 176.9 | -51.1 | 0 | 0 | 0 | 0 | 113.2 | N213 C227 Y235 | N213-C215 PolarHBondContact O-N 2.74Å; N213-C215 WeakPolarHBondContact OD1-CB 3.3Å; N213-C215 PolarHBondContact OD1-N 3.14Å; N213-C215 PolarHBondContact OD1-SG 3.19Å; C215-C227 WeakPolarHBondContact CA-SG 3.41Å; C215-C227 HydrophobicContact CB-CB 3.64Å; C215-C227 WeakPolarHBondContact CB-SG 3.43Å; C215-C227 WeakPolarHBondContact SG-CB 3.47Å; C215-C227 CovalentContact SG-SG 2.03Å; C215-C227 PolarHBondContact SG-SG 2.86Å; C215-Y235 VanDerWaalsContact SG-CD1 3.54Å |
| 216 | T | 66.3 | Low | 75.7 | Confident | 92 Ų | 92 | 75.4 Ų | 75.4 | 56% | 0.564 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.1 | -34.5 | -176.4 | 64.3 | 0 | 0 | 0 | 0 | 113.6 | N213 | N213-T216 WeakPolarHBondContact CB-OG1 3.36Å; N213-T216 PolarHBondContact O-N 3.05Å; N213-T216 VanDerWaalsContact O-N 3.15Å |
| 217 | N | 60.2 | Low | 76 | Confident | 79 Ų | 79 | 68.5 Ų | 68.5 | 42% | 0.422 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.4 | -18.1 | -165.3 | -64.5 | -7.4 | 0 | 0 | 0 | 114.3 | I210 N213 | I210-N217 WeakPolarHBondContact CG2-ND2 3.26Å; N213-N217 PolarHBondContact O-N 2.8Å |
| 218 | E | 61.6 | Low | 76 | Confident | 87 Ų | 87 | 68.4 Ų | 68.4 | 41% | 0.407 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -117.1 | 24.7 | 178.5 | -61.3 | -167.7 | 157.2 | 0 | 0 | 113.3 | K212 K214 L220 | K212-E218 IonicContact NZ-OE1 3.82Å; K212-E218 PolarHBondContact NZ-OE1 3.49Å; K212-E218 VanDerWaalsContact NZ-OE1 3.12Å; K214-E218 HydrophobicContact CG-CB 4.32Å; E218-L220 VanDerWaalsContact C-N 3.34Å; E218-L220 PolarHBondContact O-N 3.26Å |
| 219 | N | 64.4 | Low | 75.8 | Confident | 150 Ų | 150 | 73.5 Ų | 73.5 | 80% | 0.802 | 38% | 0.38 | S | S | * | . | trans | 56.4 | 33.1 | 172.2 | -66.4 | -26.3 | 0 | 0 | 0 | 115.9 | H221 | N219-H221 PolarHBondContact O-N 2.92Š| ||
| 220 | L | 70.9 | Confident | 75.6 | Confident | 25 Ų | 25 | 72 Ų | 72 | 13% | 0.131 | 37% | 0.374 | C | S | . | . | trans | -76 | 83.5 | 166.6 | -170.4 | 67.4 | 0 | 0 | 0 | 109.3 | K214 E218 C222 L247 | K214-L220 HydrophobicContact CB-CB 4.32Å; K214-L220 VanDerWaalsContact O-CB 3.26Å; K214-L220 WeakPolarHBondContact O-CB 3.2Å; K214-L220 PolarHBondContact O-N 3.06Å; E218-L220 VanDerWaalsContact C-N 3.34Å; E218-L220 PolarHBondContact O-N 3.26Å; L220-C222 PolarHBondContact O-N 3.12Å; L220-L247 HydrophobicContact CD1-CD2 3.44Å; L220-L247 VanDerWaalsContact CD1-CD2 3.44Å; L220-L247 HydrophobicContact CG-CD2 4.47Å | ||
| 221 | H | 80.6 | Confident | 75.4 | Confident | 139 Ų | 139 | 75.2 Ų | 75.2 | 64% | 0.644 | 39% | 0.386 | S | S | * | . | trans | -88.8 | 101.7 | 177.3 | -175.2 | -91.7 | 0 | 0 | 0 | 110.1 | N219 | N219-H221 PolarHBondContact O-N 2.92Š| ||
| 222 | C | 86.2 | Confident | 75 | Confident | 16 Ų | 16 | 79.9 Ų | 79.9 | 11% | 0.108 | 41% | 0.407 | C | S | . | . | trans | -74.6 | 120.7 | 170 | -49.1 | 0 | 0 | 0 | 0 | 108.6 | L220 G225 C237 L247 | L220-C222 PolarHBondContact O-N 3.12Å; C222-G225 VanDerWaalsContact CB-O 3.32Å; C222-G225 WeakPolarHBondContact CB-O 3.01Å; C222-C237 HydrophobicContact CB-CB 3.76Å; C222-C237 WeakPolarHBondContact CB-SG 3.01Å; C222-C237 VanDerWaalsContact SG-CA 3.58Å; C222-C237 WeakPolarHBondContact SG-CB 3.39Å; C222-C237 CovalentContact SG-SG 2.03Å; C222-C237 PolarHBondContact SG-SG 3.29Å; C222-L247 CarbonylContact C-O 3.5Å; C222-L247 WeakPolarHBondContact CA-O 3.3Å | ||
| 223 | V | 88.4 | Confident | 74.9 | Confident | 72 Ų | 72 | 79 Ų | 79 | 44% | 0.436 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -70.8 | -54.8 | -176.8 | -175.2 | 0 | 0 | 0 | 0 | 110.3 | L247 D249 | V223-L247 PolarHBondContact N-O 2.98Å; V223-D249 HydrophobicContact CB-CB 4.48Å; V223-D249 HydrophobicContact CG2-CB 3.97Å |
| 224 | H | 88.3 | Confident | 75.3 | Confident | 53 Ų | 53 | 81.7 Ų | 81.7 | 25% | 0.245 | 43% | 0.425 | C | S | . | . | S | Bend | trans | -121.8 | 58.3 | 176.9 | -51.9 | 105.7 | 0 | 0 | 0 | 111.2 | Y240 Y243 C248 | H224-Y240 HydrophobicContact CB-CD2 4.03Å; H224-Y240 WeakPolarHBondContact O-CD2 3.44Å; H224-Y240 PolarHBondContact O-N 2.87Å; H224-Y243 HydrophobicContact CB-CD1 3.95Å; H224-Y243 HydrophobicContact CB-CD2 3.43Å; H224-Y243 VanDerWaalsContact CB-CD2 3.43Å; H224-Y243 HydrophobicContact CB-CE1 4.26Å; H224-Y243 HydrophobicContact CB-CE2 3.76Å; H224-Y243 HydrophobicContact CB-CG 3.51Å; H224-Y243 AromaticContact CD2-CE2 3.99Å; H224-Y243 AromaticContact CD2-CZ 3.76Å; H224-Y243 AromaticContact CE1-CE1 3.47Å; H224-Y243 VanDerWaalsContact CE1-CE1 3.47Å; H224-Y243 WeakPolarHBondContact CE1-CE1 3.42Å; H224-Y243 AromaticContact CE1-CZ 3.81Å; H224-Y243 AromaticContact CG-CD1 3.76Å; H224-Y243 AromaticContact CG-CD2 3.85Å; H224-Y243 AromaticContact CG-CE1 3.66Å; H224-Y243 AromaticContact CG-CE2 3.72Å; H224-Y243 AromaticContact CG-CG 3.85Å; H224-Y243 AromaticContact CG-CZ 3.62Å; H224-Y243 AromaticContact ND1-CD1 3.33Å; H224-Y243 VanDerWaalsContact ND1-CD1 3.33Å; H224-Y243 WeakPolarHBondContact ND1-CD1 3.47Å; H224-Y243 AromaticContact ND1-CE1 3.23Å; H224-Y243 WeakPolarHBondContact ND1-CE1 3.23Å; H224-Y243 AromaticContact ND1-CG 3.87Å; H224-Y243 AromaticContact ND1-CZ 3.67Å; H224-Y243 AromaticContact NE2-CZ 3.9Å; H224-C248 HydrophobicContact CB-CB 4.32Å; H224-C248 WeakPolarHBondContact CB-O 3.32Å; H224-C248 PolarHBondContact N-O 2.86Å; H224-C248 PolarHBondContact ND1-O 3.11Å; H224-C248 VanDerWaalsContact ND1-O 3.08Å; H224-C248 VanDerWaalsContact O-CB 3.27Å; H224-C248 WeakPolarHBondContact O-CB 3.07Å |
| 225 | G | 88.3 | Confident | 75.9 | Confident | 11 Ų | 11 | 79.5 Ų | 79.5 | 11% | 0.113 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -170.6 | 175.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | C222 D238 | C222-G225 VanDerWaalsContact CB-O 3.32Å; C222-G225 WeakPolarHBondContact CB-O 3.01Å; G225-D238 CarbonylContact C-O 3.49Å; G225-D238 WeakPolarHBondContact CA-O 3.19Å |
| 226 | M | 88.3 | Confident | 76.7 | Confident | 122 Ų | 122 | 83 Ų | 83 | 60% | 0.601 | 43% | 0.425 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 130.5 | 178.3 | -64.2 | -174 | 70.8 | 0 | 0 | 110.7 | T228 C237 D238 Y240 | M226-T228 PolarHBondContact O-N 3.12Å; M226-C237 WeakPolarHBondContact O-CA 3.47Å; M226-D238 PolarHBondContact N-O 3.23Å; M226-D238 PolarHBondContact O-N 2.03Å; M226-Y240 HydrophobicContact CG-CE1 4Å |
| 227 | C | 87 | Confident | 77.8 | Confident | 38 Ų | 38 | 78.8 Ų | 78.8 | 26% | 0.257 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 120.7 | 175.4 | -179.3 | 0 | 0 | 0 | 0 | 110.3 | C215 | C215-C227 WeakPolarHBondContact CA-SG 3.41Å; C215-C227 HydrophobicContact CB-CB 3.64Å; C215-C227 WeakPolarHBondContact CB-SG 3.43Å; C215-C227 WeakPolarHBondContact SG-CB 3.47Å; C215-C227 CovalentContact SG-SG 2.03Å; C215-C227 PolarHBondContact SG-SG 2.86Å |
| 228 | T | 85.1 | Confident | 79.2 | Confident | 51 Ų | 51 | 79.1 Ų | 79.1 | 31% | 0.313 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 147.7 | -179.4 | 61.6 | 0 | 0 | 0 | 0 | 110.9 | M226 Y235 K236 | M226-T228 PolarHBondContact O-N 3.12Å; T228-Y235 VanDerWaalsContact O-CA 3.27Å; T228-Y235 WeakPolarHBondContact O-CA 3.27Å; T228-K236 PolarHBondContact N-O 2.03Å; T228-K236 PolarHBondContact O-N 3.48Å; T228-K236 PolarHBondContact OG1-O 2.84Å |
| 229 | R | 78.7 | Confident | 80.7 | Confident | 110 Ų | 110 | 77.1 Ų | 77.1 | 42% | 0.415 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 119.7 | 173.7 | -173.4 | -174.4 | -73.3 | -166.4 | 2.8 | 108.4 | E211 K231 Y235 | E211-R229 IonicContact OE1-CZ 2.92Å; E211-R229 VanDerWaalsContact OE1-CZ 3.25Å; E211-R229 IonicContact OE1-NH1 3.43Å; E211-R229 PolarHBondContact OE1-NH1 3.43Å; E211-R229 IonicContact OE1-NH2 2.76Å; E211-R229 PolarHBondContact OE1-NH2 3.15Å; E211-R229 IonicContact OE2-CZ 2.92Å; E211-R229 IonicContact OE2-NH1 3.25Å; E211-R229 IonicContact OE2-NH2 3.67Å; E211-R229 PolarHBondContact OE2-NH2 2.89Å; R229-K231 VanDerWaalsContact CG-O 3.3Å; R229-K231 WeakPolarHBondContact CG-O 3.27Å; R229-Y235 HydrophobicContact CB-CD1 3.99Å; R229-Y235 HydrophobicContact CB-CE1 3.84Å; R229-Y235 HydrophobicContact CG-CD1 4.4Å; R229-Y235 HydrophobicContact CG-CE1 4.07Å; R229-Y235 VanDerWaalsContact CZ-OH 3.3Å; R229-Y235 PolarHBondContact NE-OH 3.35Å; R229-Y235 VanDerWaalsContact NE-OH 3.11Å; R229-Y235 PolarHBondContact NH2-OH 3.2Å |
| 230 | V | 79.5 | Confident | 82.1 | Confident | 79 Ų | 79 | 76 Ų | 76 | 48% | 0.479 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | -42.2 | 179.1 | -173.9 | 0 | 0 | 0 | 0 | 110.6 | E234 K236 | V230-E234 PolarHBondContact N-O 3.43Å; V230-K236 HydrophobicContact CG2-CB 3.61Å |
| 231 | K | 71.7 | Confident | 83 | Confident | 139 Ų | 139 | 81.7 Ų | 81.7 | 60% | 0.604 | 42% | 0.418 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 173.3 | 175.8 | -63.5 | -177.7 | -174.4 | 163.8 | 0 | 110.1 | R229 A233 E234 | R229-K231 VanDerWaalsContact CG-O 3.3Å; R229-K231 WeakPolarHBondContact CG-O 3.27Å; K231-A233 PolarHBondContact O-N 3.46Å; K231-A233 VanDerWaalsContact O-N 3.12Å; K231-E234 HydrophobicContact CB-CB 4Å; K231-E234 PolarHBondContact N-O 2.96Å; K231-E234 PolarHBondContact O-N 2.85Å; K231-E234 VanDerWaalsContact O-O 3.13Å |
| 232 | E | 62.7 | Low | 83.5 | Confident | 180 Ų | 180 | 75.3 Ų | 75.3 | 84% | 0.841 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | 118.2 | 174.1 | -141.3 | 166.2 | -166.4 | 0 | 0 | 109.7 | E234 | E232-E234 VanDerWaalsContact C-N 3.26Å; E232-E234 PolarHBondContact O-N 2.85Å |
| 233 | A | 63.9 | Low | 83.8 | Confident | 56 Ų | 56 | 76.2 Ų | 76.2 | 46% | 0.463 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.9 | 4.4 | -171.5 | 0 | 0 | 0 | 0 | 0 | 118.3 | K214 K231 | K214-A233 WeakPolarHBondContact CE-O 3.39Å; K214-A233 PolarHBondContact NZ-O 2.87Å; K231-A233 PolarHBondContact O-N 3.46Å; K231-A233 VanDerWaalsContact O-N 3.12Å |
| 234 | E | 73 | Confident | 84 | Confident | 102 Ų | 102 | 75.9 Ų | 75.9 | 48% | 0.477 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 122.2 | 177.2 | -167.2 | 177.7 | -172.2 | 0 | 0 | 111.5 | V230 K231 E232 | V230-E234 PolarHBondContact N-O 3.43Å; K231-E234 HydrophobicContact CB-CB 4Å; K231-E234 PolarHBondContact N-O 2.96Å; K231-E234 PolarHBondContact O-N 2.85Å; K231-E234 VanDerWaalsContact O-O 3.13Å; E232-E234 VanDerWaalsContact C-N 3.26Å; E232-E234 PolarHBondContact O-N 2.85Å |
| 235 | Y | 78.4 | Confident | 84 | Confident | 24 Ų | 24 | 74.6 Ų | 74.6 | 9% | 0.094 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 142.5 | -176 | -63.5 | -104.4 | 0 | 0 | 0 | 110.1 | K212 N213 K214 C215 T228 R229 | K212-Y235 PolarHBondContact O-OH 3.5Å; N213-Y235 WeakPolarHBondContact CA-OH 3.42Å; N213-Y235 VanDerWaalsContact OD1-CE1 3.3Å; N213-Y235 WeakPolarHBondContact OD1-CE1 3.04Å; K214-Y235 HydrophobicContact CB-CD1 4.25Å; K214-Y235 HydrophobicContact CB-CD2 3.53Å; K214-Y235 HydrophobicContact CB-CE2 4Å; K214-Y235 HydrophobicContact CB-CG 3.66Å; K214-Y235 HydrophobicContact CD-CD2 3.58Å; K214-Y235 HydrophobicContact CD-CE2 4.3Å; K214-Y235 HydrophobicContact CD-CG 4.25Å; K214-Y235 HydrophobicContact CG-CD2 3.43Å; K214-Y235 VanDerWaalsContact CG-CD2 3.43Å; K214-Y235 HydrophobicContact CG-CE2 3.77Å; K214-Y235 HydrophobicContact CG-CG 4.09Å; C215-Y235 VanDerWaalsContact SG-CD1 3.54Å; T228-Y235 VanDerWaalsContact O-CA 3.27Å; T228-Y235 WeakPolarHBondContact O-CA 3.27Å; R229-Y235 HydrophobicContact CB-CD1 3.99Å; R229-Y235 HydrophobicContact CB-CE1 3.84Å; R229-Y235 HydrophobicContact CG-CD1 4.4Å; R229-Y235 HydrophobicContact CG-CE1 4.07Å; R229-Y235 VanDerWaalsContact CZ-OH 3.3Å; R229-Y235 PolarHBondContact NE-OH 3.35Å; R229-Y235 VanDerWaalsContact NE-OH 3.11Å; R229-Y235 PolarHBondContact NH2-OH 3.2Å |
| 236 | K | 86.4 | Confident | 84 | Confident | 117 Ų | 117 | 84.2 Ų | 84.2 | 51% | 0.509 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 150.9 | -178.4 | -174.9 | -166.4 | 166.4 | -154.2 | 0 | 109.3 | T228 V230 D238 | T228-K236 PolarHBondContact N-O 2.03Å; T228-K236 PolarHBondContact O-N 3.48Å; T228-K236 PolarHBondContact OG1-O 2.84Å; V230-K236 HydrophobicContact CG2-CB 3.61Å; K236-D238 IonicContact NZ-OD1 3.86Å |
| 237 | C | 89.6 | Confident | 84 | Confident | 4 Ų | 4 | 81.3 Ų | 81.3 | 3% | 0.027 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 123.7 | 165.5 | -61.5 | 0 | 0 | 0 | 0 | 110.1 | C222 M226 R246 C248 | C222-C237 HydrophobicContact CB-CB 3.76Å; C222-C237 WeakPolarHBondContact CB-SG 3.01Å; C222-C237 VanDerWaalsContact SG-CA 3.58Å; C222-C237 WeakPolarHBondContact SG-CB 3.39Å; C222-C237 CovalentContact SG-SG 2.03Å; C222-C237 PolarHBondContact SG-SG 3.29Å; M226-C237 WeakPolarHBondContact O-CA 3.47Å; C237-R246 PolarHBondContact SG-O 2.93Å; C237-C248 WeakPolarHBondContact CB-SG 3.22Å |
| 238 | D | 90.9 | Very high | 84.2 | Confident | 87 Ų | 87 | 79.5 Ų | 79.5 | 47% | 0.465 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 108 | 161.9 | -97.5 | -18.6 | 0 | 0 | 0 | 108.5 | G225 M226 K236 | G225-D238 CarbonylContact C-O 3.49Å; G225-D238 WeakPolarHBondContact CA-O 3.19Å; M226-D238 PolarHBondContact N-O 3.23Å; M226-D238 PolarHBondContact O-N 2.03Å; K236-D238 IonicContact NZ-OD1 3.86Å |
| 239 | C | 92.7 | Very high | 84.5 | Confident | 45 Ų | 45 | 81.2 Ų | 81.2 | 30% | 0.304 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 143.3 | -175.6 | -55.8 | 0 | 0 | 0 | 0 | 111.9 | Y243 C248 | C239-Y243 WeakPolarHBondContact CB-O 3.01Å; C239-C248 WeakPolarHBondContact CA-SG 3.5Å; C239-C248 HydrophobicContact CB-CB 3.67Å; C239-C248 WeakPolarHBondContact CB-SG 3.36Å; C239-C248 WeakPolarHBondContact SG-CA 3.33Å; C239-C248 WeakPolarHBondContact SG-CB 3.05Å; C239-C248 CovalentContact SG-SG 2.04Å; C239-C248 PolarHBondContact SG-SG 3.13Å |
| 240 | Y | 93 | Very high | 85.2 | Confident | 126 Ų | 126 | 81.2 Ų | 81.2 | 49% | 0.494 | 41% | 0.409 | S | S | . | . | P | Polyproline II helix | trans | -63.6 | 153.7 | 167.3 | -57.6 | -37.3 | 0 | 0 | 0 | 110 | H224 M226 G242 Y243 | H224-Y240 HydrophobicContact CB-CD2 4.03Å; H224-Y240 WeakPolarHBondContact O-CD2 3.44Å; H224-Y240 PolarHBondContact O-N 2.87Å; M226-Y240 HydrophobicContact CG-CE1 4Å; Y240-G242 PolarHBondContact O-N 2.04Å; Y240-Y243 PolarHBondContact O-N 2.87Å; Y240-Y243 VanDerWaalsContact O-N 3.13Å |
| 241 | T | 90.3 | Very high | 85.8 | Confident | 144 Ų | 144 | 79.6 Ų | 79.6 | 88% | 0.883 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | 132.6 | 173.8 | -51.9 | 0 | 0 | 0 | 0 | 109.9 | ||
| 242 | G | 90.2 | Very high | 86.8 | Confident | 5 Ų | 5 | 76 Ų | 76 | 5% | 0.052 | 39% | 0.385 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 96.9 | -7.5 | -176 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y240 I252 | Y240-G242 PolarHBondContact O-N 2.04Å; G242-I252 WeakPolarHBondContact O-CB 3.1Å; G242-I252 PolarHBondContact O-N 3.47Å |
| 243 | Y | 94.3 | Very high | 88.3 | Confident | 36 Ų | 36 | 71.2 Ų | 71.2 | 14% | 0.141 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 148.9 | -178.6 | -62.5 | -80.8 | 0 | 0 | 0 | 113.3 | H224 C239 Y240 E250 G272 | H224-Y243 HydrophobicContact CB-CD1 3.95Å; H224-Y243 HydrophobicContact CB-CD2 3.43Å; H224-Y243 VanDerWaalsContact CB-CD2 3.43Å; H224-Y243 HydrophobicContact CB-CE1 4.26Å; H224-Y243 HydrophobicContact CB-CE2 3.76Å; H224-Y243 HydrophobicContact CB-CG 3.51Å; H224-Y243 AromaticContact CD2-CE2 3.99Å; H224-Y243 AromaticContact CD2-CZ 3.76Å; H224-Y243 AromaticContact CE1-CE1 3.47Å; H224-Y243 VanDerWaalsContact CE1-CE1 3.47Å; H224-Y243 WeakPolarHBondContact CE1-CE1 3.42Å; H224-Y243 AromaticContact CE1-CZ 3.81Å; H224-Y243 AromaticContact CG-CD1 3.76Å; H224-Y243 AromaticContact CG-CD2 3.85Å; H224-Y243 AromaticContact CG-CE1 3.66Å; H224-Y243 AromaticContact CG-CE2 3.72Å; H224-Y243 AromaticContact CG-CG 3.85Å; H224-Y243 AromaticContact CG-CZ 3.62Å; H224-Y243 AromaticContact ND1-CD1 3.33Å; H224-Y243 VanDerWaalsContact ND1-CD1 3.33Å; H224-Y243 WeakPolarHBondContact ND1-CD1 3.47Å; H224-Y243 AromaticContact ND1-CE1 3.23Å; H224-Y243 WeakPolarHBondContact ND1-CE1 3.23Å; H224-Y243 AromaticContact ND1-CG 3.87Å; H224-Y243 AromaticContact ND1-CZ 3.67Å; H224-Y243 AromaticContact NE2-CZ 3.9Å; C239-Y243 WeakPolarHBondContact CB-O 3.01Å; Y240-Y243 PolarHBondContact O-N 2.87Å; Y240-Y243 VanDerWaalsContact O-N 3.13Å; Y243-E250 CarbonylContact C-O 3.39Å; Y243-E250 WeakPolarHBondContact CA-O 3.33Å; Y243-G272 VanDerWaalsContact CZ-CA 3.46Å; Y243-G272 WeakPolarHBondContact OH-CA 3.5Å; Y243-G272 PolarHBondContact OH-N 3.08Å |
| 244 | T | 91.4 | Very high | 89.6 | Confident | 65 Ų | 65 | 70.4 Ų | 70.4 | 40% | 0.399 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | -176 | 179.5 | -167.2 | 0 | 0 | 0 | 0 | 111.2 | C248 D249 E250 I252 | T244-C248 CarbonylContact O-C 3.47Å; T244-C248 WeakPolarHBondContact O-CA 3.44Å; T244-D249 PolarHBondContact O-N 3.35Å; T244-E250 HydrophobicContact CG2-CB 3.68Å; T244-E250 PolarHBondContact N-O 3.39Å; T244-E250 PolarHBondContact O-N 3.2Å; T244-I252 HydrophobicContact CG2-CG1 3.98Å |
| 245 | G | 89.6 | Confident | 90.5 | Very high | 26 Ų | 26 | 66.9 Ų | 66.9 | 27% | 0.268 | 34% | 0.338 | S | S | . | . | S | Bend | trans | 91.2 | 171.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | L247 | G245-L247 VanDerWaalsContact C-N 3.28Å; G245-L247 PolarHBondContact O-N 3.42Å |
| 246 | R | 87.9 | Confident | 91.1 | Very high | 213 Ų | 213 | 70.2 Ų | 70.2 | 80% | 0.804 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -68 | -30.2 | -177.8 | 177.9 | 176.9 | 168.9 | 175.9 | -4.1 | 112.3 | C237 | C237-R246 PolarHBondContact SG-O 2.93Š|
| 247 | L | 88 | Confident | 91.2 | Very high | 60 Ų | 60 | 68.8 Ų | 68.8 | 31% | 0.314 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -111.1 | 8.4 | -177.7 | -58.7 | 178.5 | 0 | 0 | 0 | 112.6 | L220 C222 V223 G245 D249 | L220-L247 HydrophobicContact CD1-CD2 3.44Å; L220-L247 VanDerWaalsContact CD1-CD2 3.44Å; L220-L247 HydrophobicContact CG-CD2 4.47Å; C222-L247 CarbonylContact C-O 3.5Å; C222-L247 WeakPolarHBondContact CA-O 3.3Å; V223-L247 PolarHBondContact N-O 2.98Å; G245-L247 VanDerWaalsContact C-N 3.28Å; G245-L247 PolarHBondContact O-N 3.42Å; L247-D249 HydrophobicContact CB-CB 4.39Å; L247-D249 PolarHBondContact O-N 2.69Å |
| 248 | C | 91.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 75 Ų | 75 | 0% | 0 | 40% | 0.4 | C | S | . | . | S | Bend | trans | 56.5 | 37.7 | -175.5 | -45.4 | 0 | 0 | 0 | 0 | 112.3 | H224 C237 C239 T244 | H224-C248 HydrophobicContact CB-CB 4.32Å; H224-C248 WeakPolarHBondContact CB-O 3.32Å; H224-C248 PolarHBondContact N-O 2.86Å; H224-C248 PolarHBondContact ND1-O 3.11Å; H224-C248 VanDerWaalsContact ND1-O 3.08Å; H224-C248 VanDerWaalsContact O-CB 3.27Å; H224-C248 WeakPolarHBondContact O-CB 3.07Å; C237-C248 WeakPolarHBondContact CB-SG 3.22Å; C239-C248 WeakPolarHBondContact CA-SG 3.5Å; C239-C248 HydrophobicContact CB-CB 3.67Å; C239-C248 WeakPolarHBondContact CB-SG 3.36Å; C239-C248 WeakPolarHBondContact SG-CA 3.33Å; C239-C248 WeakPolarHBondContact SG-CB 3.05Å; C239-C248 CovalentContact SG-SG 2.04Å; C239-C248 PolarHBondContact SG-SG 3.13Å; T244-C248 CarbonylContact O-C 3.47Å; T244-C248 WeakPolarHBondContact O-CA 3.44Å |
| 249 | D | 91.1 | Very high | 90.7 | Very high | 87 Ų | 87 | 74.6 Ų | 74.6 | 47% | 0.465 | 41% | 0.405 | S | S | . | . | trans | -102.4 | -12 | -176.8 | 57.2 | -42 | 0 | 0 | 0 | 112.9 | V223 T244 L247 | V223-D249 HydrophobicContact CB-CB 4.48Å; V223-D249 HydrophobicContact CG2-CB 3.97Å; T244-D249 PolarHBondContact O-N 3.35Å; L247-D249 HydrophobicContact CB-CB 4.39Å; L247-D249 PolarHBondContact O-N 2.69Å | ||
| 250 | E | 92.4 | Very high | 90.6 | Very high | 110 Ų | 110 | 73.1 Ų | 73.1 | 51% | 0.514 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 129 | 177.5 | -62.8 | 173.9 | 179.9 | 0 | 0 | 109.6 | Y243 T244 | Y243-E250 CarbonylContact C-O 3.39Å; Y243-E250 WeakPolarHBondContact CA-O 3.33Å; T244-E250 HydrophobicContact CG2-CB 3.68Å; T244-E250 PolarHBondContact N-O 3.39Å; T244-E250 PolarHBondContact O-N 3.2Å |
| 251 | D | 93.5 | Very high | 90.4 | Very high | 46 Ų | 46 | 67.2 Ų | 67.2 | 25% | 0.246 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 133.3 | 171.6 | -175.6 | 50.9 | 0 | 0 | 0 | 110 | N253 N269 G272 | D251-N253 PolarHBondContact O-N 2.92Å; D251-N269 PolarHBondContact OD2-ND2 2.93Å; D251-G272 WeakPolarHBondContact OD1-CA 3.15Å; D251-G272 PolarHBondContact OD1-N 3.25Å |
| 252 | I | 93 | Very high | 90.2 | Very high | 64 Ų | 64 | 62 Ų | 62 | 33% | 0.328 | 35% | 0.346 | S | S | . | . | P | Polyproline II helix | trans | -73.8 | 126.1 | 174.1 | -66 | 175.2 | 0 | 0 | 0 | 107.4 | G242 T244 E254 N269 | G242-I252 WeakPolarHBondContact O-CB 3.1Å; G242-I252 PolarHBondContact O-N 3.47Å; T244-I252 HydrophobicContact CG2-CG1 3.98Å; I252-E254 HydrophobicContact CG2-CG 4.04Å; I252-E254 PolarHBondContact O-N 2.8Å; I252-E254 VanDerWaalsContact O-N 3.15Å; I252-N269 PolarHBondContact O-OD1 2.76Å |
| 253 | N | 92.4 | Very high | 89.9 | Confident | 78 Ų | 78 | 73.6 Ų | 73.6 | 42% | 0.417 | 39% | 0.388 | S | S | . | . | trans | -83.6 | 87.1 | 171 | -176.2 | 0.7 | 0 | 0 | 0 | 110.3 | D251 C255 S256 N269 | D251-N253 PolarHBondContact O-N 2.92Å; N253-C255 PolarHBondContact O-N 3.16Å; N253-C255 WeakPolarHBondContact OD1-CB 3.47Å; N253-C255 PolarHBondContact OD1-N 2.73Å; N253-S256 WeakPolarHBondContact O-CB 3.37Å; N253-S256 PolarHBondContact O-N 2.89Å; N253-S256 VanDerWaalsContact O-N 3.08Å; N253-S256 PolarHBondContact O-OG 3.24Å; N253-N269 WeakPolarHBondContact CA-OD1 3.08Å | ||
| 254 | E | 92 | Very high | 89.6 | Confident | 39 Ų | 39 | 73.4 Ų | 73.4 | 18% | 0.182 | 39% | 0.39 | C | S | . | . | G | 310 helix | trans | -64.7 | -22.5 | -179.4 | -61.3 | 88.2 | 175.9 | 0 | 0 | 112.6 | I252 S256 D257 I260 N269 S273 F274 | I252-E254 HydrophobicContact CG2-CG 4.04Å; I252-E254 PolarHBondContact O-N 2.8Å; I252-E254 VanDerWaalsContact O-N 3.15Å; E254-S256 PolarHBondContact O-N 3.41Å; E254-S256 VanDerWaalsContact O-N 3.11Å; E254-D257 PolarHBondContact O-N 3.15Å; E254-I260 HydrophobicContact CB-CD1 3.66Å; E254-I260 HydrophobicContact CG-CD1 4.5Å; E254-N269 PolarHBondContact N-OD1 3.45Å; E254-N269 PolarHBondContact OE2-OD1 2.97Å; E254-S273 VanDerWaalsContact OE2-C 3.26Å; E254-F274 HydrophobicContact CB-CB 4.11Å; E254-F274 HydrophobicContact CB-CD1 3.83Å; E254-F274 HydrophobicContact CB-CG 4.16Å; E254-F274 HydrophobicContact CG-CD1 3.99Å |
| 255 | C | 92.1 | Very high | 89.5 | Confident | 28 Ų | 28 | 71.3 Ų | 71.3 | 19% | 0.189 | 38% | 0.381 | C | S | . | . | G | 310 helix | trans | -70.1 | -2.8 | 174.9 | -57.9 | 0 | 0 | 0 | 0 | 114.3 | N253 D257 C267 R268 N269 | N253-C255 PolarHBondContact O-N 3.16Å; N253-C255 WeakPolarHBondContact OD1-CB 3.47Å; N253-C255 PolarHBondContact OD1-N 2.73Å; C255-D257 PolarHBondContact O-N 3.43Å; C255-C267 WeakPolarHBondContact CA-SG 3.36Å; C255-C267 HydrophobicContact CB-CB 3.66Å; C255-C267 WeakPolarHBondContact CB-SG 3.04Å; C255-C267 WeakPolarHBondContact SG-CB 3.2Å; C255-C267 CovalentContact SG-SG 2.03Å; C255-C267 PolarHBondContact SG-SG 3.4Å; C255-R268 PolarHBondContact SG-N 3.1Å; C255-R268 VanDerWaalsContact SG-N 3.4Å; C255-N269 PolarHBondContact SG-N 3.23Å |
| 256 | S | 90 | Very high | 89.6 | Confident | 94 Ų | 94 | 76.2 Ų | 76.2 | 66% | 0.657 | 40% | 0.397 | S | S | * | . | G | 310 helix | trans | -64.4 | -26.7 | 166.6 | -51.1 | 0 | 0 | 0 | 0 | 111.4 | N253 E254 | N253-S256 WeakPolarHBondContact O-CB 3.37Å; N253-S256 PolarHBondContact O-N 2.89Å; N253-S256 VanDerWaalsContact O-N 3.08Å; N253-S256 PolarHBondContact O-OG 3.24Å; E254-S256 PolarHBondContact O-N 3.41Å; E254-S256 VanDerWaalsContact O-N 3.11Å |
| 257 | D | 88.4 | Confident | 89.9 | Confident | 88 Ų | 88 | 67.2 Ų | 67.2 | 47% | 0.471 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -88.5 | 104.5 | 167.4 | -173.9 | -9.5 | 0 | 0 | 0 | 109.6 | E254 C255 S259 I260 | E254-D257 PolarHBondContact O-N 3.15Å; C255-D257 PolarHBondContact O-N 3.43Å; D257-S259 VanDerWaalsContact CG-OG 3.29Å; D257-S259 PolarHBondContact O-N 3.32Å; D257-S259 VanDerWaalsContact O-N 3.11Å; D257-S259 WeakPolarHBondContact OD1-CB 3.34Å; D257-S259 PolarHBondContact OD1-N 2.82Å; D257-S259 PolarHBondContact OD1-OG 2.03Å; D257-S259 PolarHBondContact OD2-OG 2.8Å; D257-I260 WeakPolarHBondContact O-CG2 3.47Å; D257-I260 PolarHBondContact O-N 2.87Å |
| 258 | T | 83.3 | Confident | 90.1 | Very high | 133 Ų | 133 | 70.1 Ų | 70.1 | 82% | 0.816 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -9.2 | -178.6 | 57.1 | 0 | 0 | 0 | 0 | 113.5 | ||
| 259 | S | 87.2 | Confident | 90.2 | Very high | 79 Ų | 79 | 72.7 Ų | 72.7 | 55% | 0.552 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | -8 | 180 | 72.4 | 0 | 0 | 0 | 0 | 113.8 | D257 C261 G262 | D257-S259 VanDerWaalsContact CG-OG 3.29Å; D257-S259 PolarHBondContact O-N 3.32Å; D257-S259 VanDerWaalsContact O-N 3.11Å; D257-S259 WeakPolarHBondContact OD1-CB 3.34Å; D257-S259 PolarHBondContact OD1-N 2.82Å; D257-S259 PolarHBondContact OD1-OG 2.03Å; D257-S259 PolarHBondContact OD2-OG 2.8Å; S259-C261 PolarHBondContact O-N 3.19Å; S259-G262 PolarHBondContact O-N 2.83Å; S259-G262 VanDerWaalsContact O-N 3.12Å |
| 260 | I | 90.1 | Very high | 90.2 | Very high | 14 Ų | 14 | 70.6 Ų | 70.6 | 7% | 0.072 | 38% | 0.377 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -37.5 | -166.7 | -157.5 | 169.1 | 0 | 0 | 0 | 114.4 | E254 D257 C267 F274 R286 | E254-I260 HydrophobicContact CB-CD1 3.66Å; E254-I260 HydrophobicContact CG-CD1 4.5Å; D257-I260 WeakPolarHBondContact O-CG2 3.47Å; D257-I260 PolarHBondContact O-N 2.87Å; I260-C267 HydrophobicContact CG2-CB 4.02Å; I260-C267 WeakPolarHBondContact CG2-SG 3.35Å; I260-F274 HydrophobicContact CD1-CD1 3.59Å; I260-F274 HydrophobicContact CD1-CD2 3.8Å; I260-F274 HydrophobicContact CD1-CE1 3.44Å; I260-F274 VanDerWaalsContact CD1-CE1 3.44Å; I260-F274 HydrophobicContact CD1-CE2 3.66Å; I260-F274 HydrophobicContact CD1-CG 3.78Å; I260-F274 HydrophobicContact CD1-CZ 3.48Å; I260-F274 VanDerWaalsContact CD1-CZ 3.48Å; I260-F274 HydrophobicContact CG1-CD2 4.11Å; I260-F274 HydrophobicContact CG1-CE1 4.19Å; I260-F274 HydrophobicContact CG1-CE2 3.64Å; I260-F274 HydrophobicContact CG1-CZ 3.69Å; I260-F274 HydrophobicContact CG2-CD2 4.26Å; I260-F274 HydrophobicContact CG2-CE2 4.45Å; I260-R286 WeakPolarHBondContact O-CB 3.46Å; I260-R286 WeakPolarHBondContact O-CG 3.44Å |
| 261 | C | 90.1 | Very high | 90.2 | Very high | 2 Ų | 2 | 71 Ų | 71 | 1% | 0.014 | 38% | 0.382 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | 16.1 | 177.1 | -59.2 | 0 | 0 | 0 | 0 | 112.9 | S259 G265 C267 C276 R286 | S259-C261 PolarHBondContact O-N 3.19Å; C261-G265 PolarHBondContact O-N 3.22Å; C261-C267 WeakPolarHBondContact SG-CA 3.47Å; C261-C267 WeakPolarHBondContact SG-CB 3.44Å; C261-C276 WeakPolarHBondContact CA-SG 3.4Å; C261-C276 HydrophobicContact CB-CB 3.65Å; C261-C276 WeakPolarHBondContact CB-SG 3.34Å; C261-C276 WeakPolarHBondContact SG-CA 2.9Å; C261-C276 WeakPolarHBondContact SG-CB 3.4Å; C261-C276 CovalentContact SG-SG 2.02Å; C261-C276 PolarHBondContact SG-SG 3.29Å; C261-R286 CarbonylContact C-O 3.43Å; C261-R286 WeakPolarHBondContact CA-O 3.36Å; C261-R286 VanDerWaalsContact O-O 3.07Å |
| 262 | G | 85.9 | Confident | 90 | Very high | 35 Ų | 35 | 69.7 Ų | 69.7 | 36% | 0.361 | 38% | 0.38 | S | S | . | . | trans | 58.8 | -157.3 | -172.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | S259 | S259-G262 PolarHBondContact O-N 2.83Å; S259-G262 VanDerWaalsContact O-N 3.12Å | ||
| 263 | W | 84.3 | Confident | 89.9 | Confident | 248 Ų | 248 | 69.2 Ų | 69.2 | 94% | 0.939 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -89.1 | -10.5 | 177.4 | -65.3 | 87 | 0 | 0 | 0 | 113.1 | ||
| 264 | N | 86.7 | Confident | 89.9 | Confident | 32 Ų | 32 | 67.6 Ų | 67.6 | 17% | 0.171 | 37% | 0.372 | C | S | . | . | S | Bend | trans | -106.3 | 19.1 | -172.9 | -51.8 | -51.6 | 0 | 0 | 0 | 112.5 | C278 E279 F282 C287 R309 | N264-C278 CarbonylContact O-C 3.5Å; N264-C278 WeakPolarHBondContact O-CA 3.48Å; N264-E279 PolarHBondContact O-N 3.08Å; N264-F282 HydrophobicContact CB-CB 4.07Å; N264-F282 HydrophobicContact CB-CD1 3.85Å; N264-F282 HydrophobicContact CB-CD2 3.67Å; N264-F282 HydrophobicContact CB-CE1 4.23Å; N264-F282 HydrophobicContact CB-CE2 4.07Å; N264-F282 HydrophobicContact CB-CG 3.55Å; N264-F282 HydrophobicContact CB-CZ 4.32Å; N264-F282 VanDerWaalsContact ND2-CD1 3.28Å; N264-F282 WeakPolarHBondContact ND2-CD1 3.27Å; N264-F282 WeakPolarHBondContact ND2-CE1 2.99Å; N264-C287 HydrophobicContact CB-CB 4.33Å; N264-R309 PolarHBondContact OD1-NH2 3.24Å |
| 265 | G | 89.9 | Confident | 90 | Very high | 21 Ų | 21 | 71.3 Ų | 71.3 | 22% | 0.216 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 147.4 | -177 | 0 | 0 | 0 | 0 | 0 | 114 | C261 E277 | C261-G265 PolarHBondContact O-N 3.22Å; G265-E277 CarbonylContact C-O 3.51Å; G265-E277 VanDerWaalsContact CA-O 3.29Å; G265-E277 WeakPolarHBondContact CA-O 3.21Å |
| 266 | H | 91.9 | Very high | 90.1 | Very high | 130 Ų | 130 | 70.7 Ų | 70.7 | 60% | 0.602 | 38% | 0.383 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 124.8 | 172.4 | -176.2 | -77.1 | 0 | 0 | 0 | 110.2 | E277 | H266-E277 PolarHBondContact N-O 3.49Å; H266-E277 PolarHBondContact O-N 3.18Å |
| 267 | C | 93.7 | Very high | 90.2 | Very high | 24 Ų | 24 | 70.7 Ų | 70.7 | 16% | 0.162 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 132.8 | 179.4 | -169.1 | 0 | 0 | 0 | 0 | 111.9 | C255 I260 C261 | C255-C267 WeakPolarHBondContact CA-SG 3.36Å; C255-C267 HydrophobicContact CB-CB 3.66Å; C255-C267 WeakPolarHBondContact CB-SG 3.04Å; C255-C267 WeakPolarHBondContact SG-CB 3.2Å; C255-C267 CovalentContact SG-SG 2.03Å; C255-C267 PolarHBondContact SG-SG 3.4Å; I260-C267 HydrophobicContact CG2-CB 4.02Å; I260-C267 WeakPolarHBondContact CG2-SG 3.35Å; C261-C267 WeakPolarHBondContact SG-CA 3.47Å; C261-C267 WeakPolarHBondContact SG-CB 3.44Å |
| 268 | R | 93.2 | Very high | 90.5 | Very high | 121 Ų | 121 | 68.7 Ų | 68.7 | 46% | 0.457 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 119 | 170.7 | -169.4 | -174.3 | 76.1 | 152.8 | 5.4 | 110.3 | C255 K275 | C255-R268 PolarHBondContact SG-N 3.1Å; C255-R268 VanDerWaalsContact SG-N 3.4Å; R268-K275 PolarHBondContact N-O 2.89Å; R268-K275 PolarHBondContact O-N 2.84Å |
| 269 | N | 92.4 | Very high | 90.8 | Very high | 54 Ų | 54 | 67 Ų | 67 | 29% | 0.289 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 135 | 176.9 | -164.5 | 59.6 | 0 | 0 | 0 | 110.8 | D251 I252 N253 E254 C255 | D251-N269 PolarHBondContact OD2-ND2 2.93Å; I252-N269 PolarHBondContact O-OD1 2.76Å; N253-N269 WeakPolarHBondContact CA-OD1 3.08Å; E254-N269 PolarHBondContact N-OD1 3.45Å; E254-N269 PolarHBondContact OE2-OD1 2.97Å; C255-N269 PolarHBondContact SG-N 3.23Å |
| 270 | V | 92 | Very high | 90.9 | Very high | 42 Ų | 42 | 67.5 Ų | 67.5 | 26% | 0.255 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 151.5 | 176.6 | -64.3 | 0 | 0 | 0 | 0 | 109.4 | G272 S273 K275 | V270-G272 PolarHBondContact O-N 3.05Å; V270-S273 CarbonylContact C-O 3.5Å; V270-S273 VanDerWaalsContact CG2-C 3.42Å; V270-S273 WeakPolarHBondContact CG2-O 3.35Å; V270-S273 PolarHBondContact N-O 3.4Å; V270-S273 CarbonylContact O-C 3.52Å; V270-S273 PolarHBondContact O-N 3.4Å; V270-K275 HydrophobicContact CG1-CB 4.39Å |
| 271 | N | 91.9 | Very high | 90.8 | Very high | 118 Ų | 118 | 67.2 Ų | 67.2 | 63% | 0.631 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | 115.9 | -176.3 | -172.1 | 40.9 | 0 | 0 | 0 | 111.8 | ||
| 272 | G | 88.5 | Confident | 90.9 | Very high | 19 Ų | 19 | 68.4 Ų | 68.4 | 20% | 0.196 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 86.7 | 2.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y243 D251 V270 | Y243-G272 VanDerWaalsContact CZ-CA 3.46Å; Y243-G272 WeakPolarHBondContact OH-CA 3.5Å; Y243-G272 PolarHBondContact OH-N 3.08Å; D251-G272 WeakPolarHBondContact OD1-CA 3.15Å; D251-G272 PolarHBondContact OD1-N 3.25Å; V270-G272 PolarHBondContact O-N 3.05Å |
| 273 | S | 92 | Very high | 91 | Very high | 55 Ų | 55 | 71.2 Ų | 71.2 | 39% | 0.385 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -169.3 | -168.2 | -176.9 | -156.6 | 0 | 0 | 0 | 0 | 113.7 | E254 V270 | E254-S273 VanDerWaalsContact OE2-C 3.26Å; V270-S273 CarbonylContact C-O 3.5Å; V270-S273 VanDerWaalsContact CG2-C 3.42Å; V270-S273 WeakPolarHBondContact CG2-O 3.35Å; V270-S273 PolarHBondContact N-O 3.4Å; V270-S273 CarbonylContact O-C 3.52Å; V270-S273 PolarHBondContact O-N 3.4Å |
| 274 | F | 92.2 | Very high | 91.3 | Very high | 44 Ų | 44 | 60.9 Ų | 60.9 | 19% | 0.193 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 159.5 | 171.1 | 65.3 | -79 | 0 | 0 | 0 | 110.4 | E254 I260 R286 | E254-F274 HydrophobicContact CB-CB 4.11Å; E254-F274 HydrophobicContact CB-CD1 3.83Å; E254-F274 HydrophobicContact CB-CG 4.16Å; E254-F274 HydrophobicContact CG-CD1 3.99Å; I260-F274 HydrophobicContact CD1-CD1 3.59Å; I260-F274 HydrophobicContact CD1-CD2 3.8Å; I260-F274 HydrophobicContact CD1-CE1 3.44Å; I260-F274 VanDerWaalsContact CD1-CE1 3.44Å; I260-F274 HydrophobicContact CD1-CE2 3.66Å; I260-F274 HydrophobicContact CD1-CG 3.78Å; I260-F274 HydrophobicContact CD1-CZ 3.48Å; I260-F274 VanDerWaalsContact CD1-CZ 3.48Å; I260-F274 HydrophobicContact CG1-CD2 4.11Å; I260-F274 HydrophobicContact CG1-CE1 4.19Å; I260-F274 HydrophobicContact CG1-CE2 3.64Å; I260-F274 HydrophobicContact CG1-CZ 3.69Å; I260-F274 HydrophobicContact CG2-CD2 4.26Å; I260-F274 HydrophobicContact CG2-CE2 4.45Å; F274-R286 HydrophobicContact CE2-CG 4.37Å; F274-R286 HydrophobicContact CZ-CG 4.48Å |
| 275 | K | 93.4 | Very high | 91.4 | Very high | 116 Ų | 116 | 66.3 Ų | 66.3 | 50% | 0.504 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 127.8 | 172.5 | -174.7 | 176.7 | -178.1 | -177.2 | 0 | 109.4 | R268 V270 | R268-K275 PolarHBondContact N-O 2.89Å; R268-K275 PolarHBondContact O-N 2.84Å; V270-K275 HydrophobicContact CG1-CB 4.39Å |
| 276 | C | 94.5 | Very high | 91.5 | Very high | 15 Ų | 15 | 71 Ų | 71 | 10% | 0.101 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 130 | 171.8 | -61 | 0 | 0 | 0 | 0 | 110.4 | C261 D285 C287 | C261-C276 WeakPolarHBondContact CA-SG 3.4Å; C261-C276 HydrophobicContact CB-CB 3.65Å; C261-C276 WeakPolarHBondContact CB-SG 3.34Å; C261-C276 WeakPolarHBondContact SG-CA 2.9Å; C261-C276 WeakPolarHBondContact SG-CB 3.4Å; C261-C276 CovalentContact SG-SG 2.02Å; C261-C276 PolarHBondContact SG-SG 3.29Å; C276-D285 WeakPolarHBondContact CB-O 3.47Å; C276-D285 PolarHBondContact SG-O 3.2Å; C276-C287 VanDerWaalsContact CB-SG 3.57Å |
| 277 | E | 93.3 | Very high | 91.5 | Very high | 95 Ų | 95 | 64.9 Ų | 64.9 | 44% | 0.444 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 100.4 | 170.7 | -66.6 | 177.8 | 179.5 | 0 | 0 | 107.4 | G265 H266 | G265-E277 CarbonylContact C-O 3.51Å; G265-E277 VanDerWaalsContact CA-O 3.29Å; G265-E277 WeakPolarHBondContact CA-O 3.21Å; H266-E277 PolarHBondContact N-O 3.49Å; H266-E277 PolarHBondContact O-N 3.18Å |
| 278 | C | 92.9 | Very high | 91.3 | Very high | 46 Ų | 46 | 69.2 Ų | 69.2 | 31% | 0.311 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 144.8 | -173.7 | -52.4 | 0 | 0 | 0 | 0 | 112.2 | N264 F282 C287 | N264-C278 CarbonylContact O-C 3.5Å; N264-C278 WeakPolarHBondContact O-CA 3.48Å; C278-F282 HydrophobicContact CB-CB 4.26Å; C278-F282 VanDerWaalsContact CB-O 3.31Å; C278-F282 WeakPolarHBondContact CB-O 3.43Å; C278-C287 WeakPolarHBondContact CA-SG 3.39Å; C278-C287 HydrophobicContact CB-CB 3.74Å; C278-C287 WeakPolarHBondContact CB-SG 3.34Å; C278-C287 VanDerWaalsContact SG-CA 3.5Å; C278-C287 WeakPolarHBondContact SG-CB 3.49Å; C278-C287 CovalentContact SG-SG 2.04Å; C278-C287 PolarHBondContact SG-SG 2.04Å |
| 279 | E | 91.1 | Very high | 91.1 | Very high | 97 Ų | 97 | 68 Ų | 68 | 45% | 0.453 | 36% | 0.36 | S | S | . | . | P | Polyproline II helix | trans | -61 | 157.2 | 164.4 | -67.8 | -173.5 | 170.8 | 0 | 0 | 110.2 | N264 G281 F282 R309 | N264-E279 PolarHBondContact O-N 3.08Å; E279-G281 PolarHBondContact O-N 2.02Å; E279-F282 HydrophobicContact CB-CD2 4.48Å; E279-F282 PolarHBondContact O-N 3.38Å; E279-R309 IonicContact OE2-CZ 2.87Å; E279-R309 IonicContact OE2-NH1 2.61Å; E279-R309 IonicContact OE2-NH2 3.95Å; E279-R309 PolarHBondContact OE2-NH2 3.11Å |
| 280 | S | 89.7 | Confident | 91 | Very high | 89 Ų | 89 | 68 Ų | 68 | 62% | 0.622 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53 | 140.3 | 171.9 | -57.6 | 0 | 0 | 0 | 0 | 111 | F282 D310 | S280-F282 VanDerWaalsContact C-N 3.33Å; S280-D310 VanDerWaalsContact C-OD1 3.29Å; S280-D310 WeakPolarHBondContact CB-OD1 3.31Å; S280-D310 WeakPolarHBondContact CB-OD2 3.05Å |
| 281 | G | 87.2 | Confident | 90.9 | Very high | 9 Ų | 9 | 68.5 Ų | 68.5 | 9% | 0.093 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 85 | -4.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | E279 E290 T291 D310 | E279-G281 PolarHBondContact O-N 2.02Å; G281-E290 CarbonylContact O-C 3.56Å; G281-E290 WeakPolarHBondContact O-CA 3.41Å; G281-T291 VanDerWaalsContact C-OG1 3.28Å; G281-T291 WeakPolarHBondContact O-CB 3.44Å; G281-T291 PolarHBondContact O-N 2.89Å; G281-T291 PolarHBondContact O-OG1 3Å; G281-D310 WeakPolarHBondContact CA-OD1 3.03Å; G281-D310 PolarHBondContact N-OD1 3.32Å; G281-D310 VanDerWaalsContact N-OD1 3.08Å |
| 282 | F | 91.8 | Very high | 90.9 | Very high | 26 Ų | 26 | 66.3 Ų | 66.3 | 11% | 0.114 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 145.1 | 179.4 | -65.8 | -88.5 | 0 | 0 | 0 | 113.3 | N264 C278 E279 S280 C287 E289 E290 R309 | N264-F282 HydrophobicContact CB-CB 4.07Å; N264-F282 HydrophobicContact CB-CD1 3.85Å; N264-F282 HydrophobicContact CB-CD2 3.67Å; N264-F282 HydrophobicContact CB-CE1 4.23Å; N264-F282 HydrophobicContact CB-CE2 4.07Å; N264-F282 HydrophobicContact CB-CG 3.55Å; N264-F282 HydrophobicContact CB-CZ 4.32Å; N264-F282 VanDerWaalsContact ND2-CD1 3.28Å; N264-F282 WeakPolarHBondContact ND2-CD1 3.27Å; N264-F282 WeakPolarHBondContact ND2-CE1 2.99Å; C278-F282 HydrophobicContact CB-CB 4.26Å; C278-F282 VanDerWaalsContact CB-O 3.31Å; C278-F282 WeakPolarHBondContact CB-O 3.43Å; E279-F282 HydrophobicContact CB-CD2 4.48Å; E279-F282 PolarHBondContact O-N 3.38Å; S280-F282 VanDerWaalsContact C-N 3.33Å; F282-C287 HydrophobicContact CB-CB 4.39Å; F282-E289 CarbonylContact C-O 3.58Å; F282-E289 VanDerWaalsContact CA-O 3.26Å; F282-E289 WeakPolarHBondContact CA-O 3.48Å; F282-E289 WeakPolarHBondContact CD1-O 3.38Å; F282-E290 HydrophobicContact CD1-CB 4.09Å; F282-E290 HydrophobicContact CD1-CG 4.18Å; F282-E290 HydrophobicContact CE1-CB 3.8Å; F282-E290 HydrophobicContact CE1-CG 3.63Å; F282-E290 HydrophobicContact CZ-CG 3.91Å; F282-R309 HydrophobicContact CE2-CG 3.8Å; F282-R309 HydrophobicContact CZ-CG 3.71Å; F282-R309 VanDerWaalsContact CZ-NE 3.33Å |
| 283 | F | 89.2 | Confident | 90.9 | Very high | 94 Ų | 94 | 67 Ų | 67 | 41% | 0.412 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | -179.7 | 176.4 | 73.1 | -79.1 | 0 | 0 | 0 | 111.8 | C287 E288 E289 E290 | F283-C287 CarbonylContact O-C 3.58Å; F283-C287 WeakPolarHBondContact O-CA 3.29Å; F283-E288 PolarHBondContact O-N 3.44Å; F283-E289 HydrophobicContact CD1-CB 3.99Å; F283-E289 HydrophobicContact CD2-CB 4.18Å; F283-E289 HydrophobicContact CE1-CB 3.71Å; F283-E289 HydrophobicContact CE2-CB 3.94Å; F283-E289 HydrophobicContact CE2-CG 4.49Å; F283-E289 WeakPolarHBondContact CE2-OE2 3.01Å; F283-E289 HydrophobicContact CG-CB 4.21Å; F283-E289 HydrophobicContact CZ-CB 3.68Å; F283-E289 WeakPolarHBondContact CZ-OE2 3.46Å; F283-E289 PolarHBondContact N-O 3.07Å; F283-E289 PolarHBondContact O-N 3.11Å; F283-E290 WeakPolarHBondContact CE1-O 3.4Å |
| 284 | G | 89.6 | Confident | 90.9 | Very high | 32 Ų | 32 | 65.3 Ų | 65.3 | 33% | 0.33 | 34% | 0.336 | S | S | . | . | S | Bend | trans | 100.9 | 165.3 | -169.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | R286 C287 | G284-R286 PolarHBondContact O-N 2.87Å; G284-C287 PolarHBondContact O-N 3.5Å |
| 285 | D | 89.6 | Confident | 90.9 | Very high | 145 Ų | 145 | 70.8 Ų | 70.8 | 78% | 0.775 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -21 | -177.8 | -73.2 | -26.3 | 0 | 0 | 0 | 112.2 | C276 | C276-D285 WeakPolarHBondContact CB-O 3.47Å; C276-D285 PolarHBondContact SG-O 3.2Å |
| 286 | R | 91.4 | Very high | 90.7 | Very high | 120 Ų | 120 | 69.5 Ų | 69.5 | 45% | 0.453 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124.3 | 15.7 | -179.8 | -63.3 | 176.5 | 172.6 | -114.1 | -1.3 | 112.9 | I260 C261 F274 G284 E288 | I260-R286 WeakPolarHBondContact O-CB 3.46Å; I260-R286 WeakPolarHBondContact O-CG 3.44Å; C261-R286 CarbonylContact C-O 3.43Å; C261-R286 WeakPolarHBondContact CA-O 3.36Å; C261-R286 VanDerWaalsContact O-O 3.07Å; F274-R286 HydrophobicContact CE2-CG 4.37Å; F274-R286 HydrophobicContact CZ-CG 4.48Å; G284-R286 PolarHBondContact O-N 2.87Å; R286-E288 WeakPolarHBondContact CA-OE2 3.15Å; R286-E288 WeakPolarHBondContact CB-OE2 3.27Å; R286-E288 PolarHBondContact N-OE2 3.19Å; R286-E288 PolarHBondContact O-N 3.18Å |
| 287 | C | 91.5 | Very high | 90.4 | Very high | 1 Ų | 1 | 75.1 Ų | 75.1 | 1% | 0.007 | 40% | 0.396 | C | S | . | . | S | Bend | trans | 56 | 35.1 | -179.2 | -45.2 | 0 | 0 | 0 | 0 | 113.3 | N264 C276 C278 F282 F283 G284 | N264-C287 HydrophobicContact CB-CB 4.33Å; C276-C287 VanDerWaalsContact CB-SG 3.57Å; C278-C287 WeakPolarHBondContact CA-SG 3.39Å; C278-C287 HydrophobicContact CB-CB 3.74Å; C278-C287 WeakPolarHBondContact CB-SG 3.34Å; C278-C287 VanDerWaalsContact SG-CA 3.5Å; C278-C287 WeakPolarHBondContact SG-CB 3.49Å; C278-C287 CovalentContact SG-SG 2.04Å; C278-C287 PolarHBondContact SG-SG 2.04Å; F282-C287 HydrophobicContact CB-CB 4.39Å; F283-C287 CarbonylContact O-C 3.58Å; F283-C287 WeakPolarHBondContact O-CA 3.29Å; G284-C287 PolarHBondContact O-N 3.5Å |
| 288 | E | 89.4 | Confident | 90.4 | Very high | 115 Ų | 115 | 71.3 Ų | 71.3 | 54% | 0.537 | 38% | 0.38 | S | S | . | . | trans | -89.1 | -19.4 | -176.9 | 69.5 | -87.1 | -135.3 | 0 | 0 | 113.4 | F283 R286 | F283-E288 PolarHBondContact O-N 3.44Å; R286-E288 WeakPolarHBondContact CA-OE2 3.15Å; R286-E288 WeakPolarHBondContact CB-OE2 3.27Å; R286-E288 PolarHBondContact N-OE2 3.19Å; R286-E288 PolarHBondContact O-N 3.18Å | ||
| 289 | E | 89.6 | Confident | 90.3 | Very high | 96 Ų | 96 | 69.8 Ų | 69.8 | 45% | 0.449 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 136.9 | -179.9 | -53.7 | -166.7 | 174.4 | 0 | 0 | 109.6 | F282 F283 | F282-E289 CarbonylContact C-O 3.58Å; F282-E289 VanDerWaalsContact CA-O 3.26Å; F282-E289 WeakPolarHBondContact CA-O 3.48Å; F282-E289 WeakPolarHBondContact CD1-O 3.38Å; F283-E289 HydrophobicContact CD1-CB 3.99Å; F283-E289 HydrophobicContact CD2-CB 4.18Å; F283-E289 HydrophobicContact CE1-CB 3.71Å; F283-E289 HydrophobicContact CE2-CB 3.94Å; F283-E289 HydrophobicContact CE2-CG 4.49Å; F283-E289 WeakPolarHBondContact CE2-OE2 3.01Å; F283-E289 HydrophobicContact CG-CB 4.21Å; F283-E289 HydrophobicContact CZ-CB 3.68Å; F283-E289 WeakPolarHBondContact CZ-OE2 3.46Å; F283-E289 PolarHBondContact N-O 3.07Å; F283-E289 PolarHBondContact O-N 3.11Å |
| 290 | E | 89.6 | Confident | 89.9 | Confident | 54 Ų | 54 | 69.3 Ų | 69.3 | 25% | 0.252 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 139.6 | 176.9 | -162.9 | -76.5 | 159.3 | 0 | 0 | 108.1 | G281 F282 F283 D292 R309 D310 | G281-E290 CarbonylContact O-C 3.56Å; G281-E290 WeakPolarHBondContact O-CA 3.41Å; F282-E290 HydrophobicContact CD1-CB 4.09Å; F282-E290 HydrophobicContact CD1-CG 4.18Å; F282-E290 HydrophobicContact CE1-CB 3.8Å; F282-E290 HydrophobicContact CE1-CG 3.63Å; F282-E290 HydrophobicContact CZ-CG 3.91Å; F283-E290 WeakPolarHBondContact CE1-O 3.4Å; E290-D292 PolarHBondContact O-N 3Å; E290-R309 VanDerWaalsContact OE1-CA 3.3Å; E290-R309 WeakPolarHBondContact OE1-CA 3.48Å; E290-D310 PolarHBondContact OE1-N 2.92Å; E290-D310 VanDerWaalsContact OE1-N 3.09Å |
| 291 | T | 90.8 | Very high | 89.1 | Confident | 52 Ų | 52 | 70.8 Ų | 70.8 | 32% | 0.319 | 37% | 0.373 | S | S | . | . | trans | -79.1 | 111.2 | -171.5 | -54.7 | 0 | 0 | 0 | 0 | 109.8 | G281 E293 | G281-T291 VanDerWaalsContact C-OG1 3.28Å; G281-T291 WeakPolarHBondContact O-CB 3.44Å; G281-T291 PolarHBondContact O-N 2.89Å; G281-T291 PolarHBondContact O-OG1 3Å; T291-E293 PolarHBondContact O-N 3.21Å | ||
| 292 | D | 90.6 | Very high | 88.3 | Confident | 72 Ų | 72 | 72 Ų | 72 | 39% | 0.385 | 39% | 0.385 | S | S | . | . | trans | -68.4 | 94.8 | 173 | -177 | -18.4 | 0 | 0 | 0 | 110.3 | E290 C294 E295 D307 | E290-D292 PolarHBondContact O-N 3Å; D292-C294 PolarHBondContact O-N 2.87Å; D292-C294 VanDerWaalsContact OD1-CA 3.27Å; D292-C294 WeakPolarHBondContact OD1-CA 3.43Å; D292-C294 WeakPolarHBondContact OD1-CB 3.41Å; D292-C294 PolarHBondContact OD1-N 2.95Å; D292-E295 HydrophobicContact CB-CG 4.05Å; D292-E295 WeakPolarHBondContact O-CB 3.4Å; D292-E295 PolarHBondContact O-N 2.77Å; D292-E295 PolarHBondContact OD1-N 3.34Å; D292-D307 WeakPolarHBondContact CA-OD1 3.26Å | ||
| 293 | E | 90.3 | Very high | 87.9 | Confident | 34 Ų | 34 | 71.5 Ų | 71.5 | 16% | 0.159 | 39% | 0.387 | C | S | . | . | G | 310 helix | trans | -69.3 | -17 | -180 | -71.1 | 101.4 | -166.6 | 0 | 0 | 112.4 | T291 E295 S296 D307 D310 A311 Y312 | T291-E293 PolarHBondContact O-N 3.21Å; E293-E295 VanDerWaalsContact C-N 3.31Å; E293-E295 PolarHBondContact O-N 3.05Å; E293-S296 PolarHBondContact O-N 3.09Å; E293-S296 PolarHBondContact O-OG 3.08Å; E293-D307 PolarHBondContact N-OD1 3.21Å; E293-D310 WeakPolarHBondContact OE1-CA 3.02Å; E293-A311 VanDerWaalsContact OE2-C 3.24Å; E293-A311 WeakPolarHBondContact OE2-CA 3.43Å; E293-A311 PolarHBondContact OE2-N 3.24Å; E293-Y312 HydrophobicContact CB-CD1 3.71Å; E293-Y312 HydrophobicContact CB-CG 4.28Å; E293-Y312 HydrophobicContact CG-CD1 4.42Å |
| 294 | C | 91.3 | Very high | 87.9 | Confident | 20 Ų | 20 | 74.4 Ų | 74.4 | 14% | 0.135 | 40% | 0.396 | C | S | . | . | G | 310 helix | trans | -73.1 | -19 | 175 | -66.8 | 0 | 0 | 0 | 0 | 113.1 | D292 S296 N297 C305 D307 | D292-C294 PolarHBondContact O-N 2.87Å; D292-C294 VanDerWaalsContact OD1-CA 3.27Å; D292-C294 WeakPolarHBondContact OD1-CA 3.43Å; D292-C294 WeakPolarHBondContact OD1-CB 3.41Å; D292-C294 PolarHBondContact OD1-N 2.95Å; C294-S296 PolarHBondContact O-N 3.22Å; C294-N297 WeakPolarHBondContact O-CA 3.3Å; C294-N297 PolarHBondContact O-N 3.36Å; C294-C305 WeakPolarHBondContact CA-SG 3.45Å; C294-C305 HydrophobicContact CB-CB 3.68Å; C294-C305 WeakPolarHBondContact CB-SG 3.43Å; C294-C305 WeakPolarHBondContact SG-CB 3.09Å; C294-C305 CovalentContact SG-SG 2.03Å; C294-C305 PolarHBondContact SG-SG 2.04Å; C294-D307 PolarHBondContact SG-N 2.83Å |
| 295 | E | 91 | Very high | 88 | Confident | 158 Ų | 158 | 74.2 Ų | 74.2 | 74% | 0.738 | 39% | 0.39 | S | S | * | . | G | 310 helix | trans | -57.2 | -32.1 | 172.6 | -77.2 | -157.3 | 152.9 | 0 | 0 | 112.1 | D292 E293 N297 | D292-E295 HydrophobicContact CB-CG 4.05Å; D292-E295 WeakPolarHBondContact O-CB 3.4Å; D292-E295 PolarHBondContact O-N 2.77Å; D292-E295 PolarHBondContact OD1-N 3.34Å; E293-E295 VanDerWaalsContact C-N 3.31Å; E293-E295 PolarHBondContact O-N 3.05Å; E295-N297 PolarHBondContact O-N 2.78Å; E295-N297 PolarHBondContact O-ND2 2.92Å; E295-N297 VanDerWaalsContact O-ND2 3.1Å |
| 296 | S | 89.9 | Confident | 88.1 | Confident | 90 Ų | 90 | 70.7 Ų | 70.7 | 63% | 0.629 | 37% | 0.37 | S | S | * | . | G | 310 helix | trans | -72.7 | -6.2 | 177.4 | 74.4 | 0 | 0 | 0 | 0 | 113.9 | E293 C294 | E293-S296 PolarHBondContact O-N 3.09Å; E293-S296 PolarHBondContact O-OG 3.08Å; C294-S296 PolarHBondContact O-N 3.22Å |
| 297 | N | 89.5 | Confident | 88 | Confident | 132 Ų | 132 | 68.5 Ų | 68.5 | 71% | 0.706 | 37% | 0.368 | S | S | * | . | trans | 51.6 | 58 | -175 | -65.4 | -85.1 | 0 | 0 | 0 | 113.4 | C294 E295 C299 | C294-N297 WeakPolarHBondContact O-CA 3.3Å; C294-N297 PolarHBondContact O-N 3.36Å; E295-N297 PolarHBondContact O-N 2.78Å; E295-N297 PolarHBondContact O-ND2 2.92Å; E295-N297 VanDerWaalsContact O-ND2 3.1Å; N297-C299 PolarHBondContact O-N 2.81Å | ||
| 298 | P | 91.4 | Very high | 87.6 | Confident | 16 Ų | 16 | 69.7 Ų | 69.7 | 10% | 0.104 | 38% | 0.38 | C | S | . | . | trans | -66.3 | -24.3 | -173.5 | 26.9 | -34 | 0 | 0 | 0 | 113.5 | S300 Y312 H324 | P298-S300 PolarHBondContact O-N 2.63Å; P298-Y312 HydrophobicContact CB-CD2 3.98Å; P298-Y312 HydrophobicContact CB-CE1 4.16Å; P298-Y312 HydrophobicContact CB-CE2 3.38Å; P298-Y312 VanDerWaalsContact CB-CZ 3.46Å; P298-Y312 HydrophobicContact CG-CD1 4.26Å; P298-Y312 HydrophobicContact CG-CD2 3.43Å; P298-Y312 VanDerWaalsContact CG-CD2 3.43Å; P298-Y312 HydrophobicContact CG-CE1 4.25Å; P298-Y312 HydrophobicContact CG-CE2 3.41Å; P298-Y312 VanDerWaalsContact CG-CE2 3.41Å; P298-Y312 HydrophobicContact CG-CG 3.87Å; P298-H324 WeakPolarHBondContact O-CB 3.48Å | ||
| 299 | C | 91 | Very high | 87.4 | Confident | 14 Ų | 14 | 71.1 Ų | 71.1 | 10% | 0.095 | 38% | 0.381 | C | S | . | . | trans | -77.9 | 82.6 | -177.8 | -45.2 | 0 | 0 | 0 | 0 | 112.4 | N297 K301 G302 G303 C305 C314 H324 | N297-C299 PolarHBondContact O-N 2.81Å; C299-K301 VanDerWaalsContact C-N 3.28Å; C299-K301 PolarHBondContact O-N 2.87Å; C299-G302 PolarHBondContact O-N 3.42Å; C299-G303 WeakPolarHBondContact CB-O 3.21Å; C299-C305 VanDerWaalsContact SG-CB 3.57Å; C299-C314 WeakPolarHBondContact CA-SG 3.06Å; C299-C314 HydrophobicContact CB-CB 3.91Å; C299-C314 WeakPolarHBondContact CB-SG 3.28Å; C299-C314 VanDerWaalsContact SG-CA 3.53Å; C299-C314 WeakPolarHBondContact SG-CB 3.35Å; C299-C314 CovalentContact SG-SG 2.04Å; C299-C314 PolarHBondContact SG-SG 3.12Å; C299-H324 CarbonylContact C-O 2.95Å | ||
| 300 | S | 83.7 | Confident | 87.2 | Confident | 87 Ų | 87 | 70.4 Ų | 70.4 | 61% | 0.608 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.8 | -29.3 | -166 | -68.7 | 0 | 0 | 0 | 0 | 117.2 | P298 H324 | P298-S300 PolarHBondContact O-N 2.63Å; S300-H324 PolarHBondContact N-O 2.94Å |
| 301 | K | 73.4 | Confident | 87.2 | Confident | 120 Ų | 120 | 70.4 Ų | 70.4 | 52% | 0.522 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.6 | 24.2 | -172.7 | -63.7 | -85.9 | 179.5 | 175.4 | 0 | 113.3 | C299 Y320 C325 | C299-K301 VanDerWaalsContact C-N 3.28Å; C299-K301 PolarHBondContact O-N 2.87Å; K301-Y320 HydrophobicContact CB-CD1 4Å; K301-Y320 HydrophobicContact CB-CE1 3.87Å; K301-Y320 HydrophobicContact CD-CE1 4.06Å; K301-Y320 HydrophobicContact CG-CD1 4.23Å; K301-Y320 HydrophobicContact CG-CE1 3.95Å; K301-C325 WeakPolarHBondContact CB-O 2.88Å; K301-C325 WeakPolarHBondContact CG-O 3.29Å |
| 302 | G | 70.4 | Confident | 87.1 | Confident | 35 Ų | 35 | 71.6 Ų | 71.6 | 36% | 0.361 | 39% | 0.388 | S | S | . | . | S | Bend | trans | 90.7 | 22.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | C299 F317 | C299-G302 PolarHBondContact O-N 3.42Å; G302-F317 WeakPolarHBondContact O-CD2 2.79Å; G302-F317 VanDerWaalsContact O-CE1 3.29Å; G302-F317 WeakPolarHBondContact O-CE1 3.11Å; G302-F317 WeakPolarHBondContact O-CE2 3.38Å; G302-F317 WeakPolarHBondContact O-CZ 3.34Å |
| 303 | G | 83.2 | Confident | 87.1 | Confident | 15 Ų | 15 | 73.3 Ų | 73.3 | 16% | 0.155 | 40% | 0.397 | C | S | . | . | P | Polyproline II helix | trans | -61.9 | 152.6 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | C299 I315 | C299-G303 WeakPolarHBondContact CB-O 3.21Å; G303-I315 CarbonylContact C-O 3.44Å; G303-I315 WeakPolarHBondContact CA-O 3.49Å |
| 304 | Y | 88.6 | Confident | 87.1 | Confident | 154 Ų | 154 | 72.3 Ų | 72.3 | 60% | 0.604 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 120.7 | 170 | -173.4 | -96.3 | 0 | 0 | 0 | 109 | L306 I315 | Y304-L306 HydrophobicContact CD1-CD2 4.13Å; Y304-L306 HydrophobicContact CD1-CG 4.14Å; Y304-L306 HydrophobicContact CE1-CD2 3.57Å; Y304-L306 HydrophobicContact CE1-CG 4.09Å; Y304-I315 PolarHBondContact N-O 2.8Å; Y304-I315 PolarHBondContact O-N 3.26Å |
| 305 | C | 91.7 | Very high | 87 | Confident | 28 Ų | 28 | 75.5 Ų | 75.5 | 19% | 0.189 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 131.7 | 179.7 | -166.3 | 0 | 0 | 0 | 0 | 110.2 | C294 C299 | C294-C305 WeakPolarHBondContact CA-SG 3.45Å; C294-C305 HydrophobicContact CB-CB 3.68Å; C294-C305 WeakPolarHBondContact CB-SG 3.43Å; C294-C305 WeakPolarHBondContact SG-CB 3.09Å; C294-C305 CovalentContact SG-SG 2.03Å; C294-C305 PolarHBondContact SG-SG 2.04Å; C299-C305 VanDerWaalsContact SG-CB 3.57Å |
| 306 | L | 91.8 | Very high | 86.7 | Confident | 71 Ų | 71 | 69.7 Ų | 69.7 | 37% | 0.372 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 123.9 | 169.6 | -73.1 | 174.4 | 0 | 0 | 0 | 108.6 | Y304 Y312 L313 I315 | Y304-L306 HydrophobicContact CD1-CD2 4.13Å; Y304-L306 HydrophobicContact CD1-CG 4.14Å; Y304-L306 HydrophobicContact CE1-CD2 3.57Å; Y304-L306 HydrophobicContact CE1-CG 4.09Å; L306-Y312 CarbonylContact O-C 3.45Å; L306-Y312 VanDerWaalsContact O-CA 3.29Å; L306-Y312 WeakPolarHBondContact O-CA 3.02Å; L306-L313 HydrophobicContact CB-CB 4.32Å; L306-L313 HydrophobicContact CD1-CD2 4.41Å; L306-L313 PolarHBondContact N-O 3.48Å; L306-L313 PolarHBondContact O-N 2.81Å; L306-I315 HydrophobicContact CD1-CD1 3.56Å; L306-I315 HydrophobicContact CD1-CG1 4.23Å; L306-I315 HydrophobicContact CG-CD1 4.26Å |
| 307 | D | 88.6 | Confident | 86.4 | Confident | 74 Ų | 74 | 71.5 Ų | 71.5 | 40% | 0.396 | 38% | 0.382 | S | S | . | . | trans | -78.8 | 152 | 175.3 | -178.7 | 63.1 | 0 | 0 | 0 | 111.6 | D292 E293 C294 | D292-D307 WeakPolarHBondContact CA-OD1 3.26Å; E293-D307 PolarHBondContact N-OD1 3.21Å; C294-D307 PolarHBondContact SG-N 2.83Å | ||
| 308 | G | 84.5 | Confident | 85.7 | Confident | 26 Ų | 26 | 71.9 Ų | 71.9 | 27% | 0.268 | 38% | 0.383 | S | S | . | . | trans | -167.2 | 165.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | D310 A311 | G308-D310 PolarHBondContact O-N 2.96Å; G308-A311 CarbonylContact C-O 3.59Å; G308-A311 WeakPolarHBondContact CA-O 3.29Å; G308-A311 PolarHBondContact N-O 2.03Å; G308-A311 CarbonylContact O-C 3.5Å; G308-A311 PolarHBondContact O-N 2.79Å | ||
| 309 | R | 85.5 | Confident | 85 | Confident | 145 Ų | 145 | 71.7 Ų | 71.7 | 55% | 0.547 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | 107.4 | -171.9 | -175.2 | 176.8 | -167.7 | -85 | 1.3 | 112.7 | N264 E279 F282 E290 A311 | N264-R309 PolarHBondContact OD1-NH2 3.24Å; E279-R309 IonicContact OE2-CZ 2.87Å; E279-R309 IonicContact OE2-NH1 2.61Å; E279-R309 IonicContact OE2-NH2 3.95Å; E279-R309 PolarHBondContact OE2-NH2 3.11Å; F282-R309 HydrophobicContact CE2-CG 3.8Å; F282-R309 HydrophobicContact CZ-CG 3.71Å; F282-R309 VanDerWaalsContact CZ-NE 3.33Å; E290-R309 VanDerWaalsContact OE1-CA 3.3Å; E290-R309 WeakPolarHBondContact OE1-CA 3.48Å; R309-A311 PolarHBondContact O-N 2.98Å |
| 310 | D | 85.4 | Confident | 84.7 | Confident | 82 Ų | 82 | 74.1 Ų | 74.1 | 44% | 0.439 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.4 | 30 | -177.6 | -168 | 42.3 | 0 | 0 | 0 | 112.1 | S280 G281 E290 E293 G308 | S280-D310 VanDerWaalsContact C-OD1 3.29Å; S280-D310 WeakPolarHBondContact CB-OD1 3.31Å; S280-D310 WeakPolarHBondContact CB-OD2 3.05Å; G281-D310 WeakPolarHBondContact CA-OD1 3.03Å; G281-D310 PolarHBondContact N-OD1 3.32Å; G281-D310 VanDerWaalsContact N-OD1 3.08Å; E290-D310 PolarHBondContact OE1-N 2.92Å; E290-D310 VanDerWaalsContact OE1-N 3.09Å; E293-D310 WeakPolarHBondContact OE1-CA 3.02Å; G308-D310 PolarHBondContact O-N 2.96Å |
| 311 | A | 88 | Confident | 84.6 | Confident | 54 Ų | 54 | 74.6 Ų | 74.6 | 45% | 0.446 | 38% | 0.384 | S | S | . | . | trans | -167 | 137.2 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | E293 G308 R309 | E293-A311 VanDerWaalsContact OE2-C 3.24Å; E293-A311 WeakPolarHBondContact OE2-CA 3.43Å; E293-A311 PolarHBondContact OE2-N 3.24Å; G308-A311 CarbonylContact C-O 3.59Å; G308-A311 WeakPolarHBondContact CA-O 3.29Å; G308-A311 PolarHBondContact N-O 2.03Å; G308-A311 CarbonylContact O-C 3.5Å; G308-A311 PolarHBondContact O-N 2.79Å; R309-A311 PolarHBondContact O-N 2.98Å | ||
| 312 | Y | 90 | Very high | 85.2 | Confident | 76 Ų | 76 | 70.6 Ų | 70.6 | 30% | 0.298 | 38% | 0.377 | S | S | . | . | trans | -111 | 160.4 | 169.4 | 66.1 | -83.9 | 0 | 0 | 0 | 112.9 | E293 P298 L306 H324 | E293-Y312 HydrophobicContact CB-CD1 3.71Å; E293-Y312 HydrophobicContact CB-CG 4.28Å; E293-Y312 HydrophobicContact CG-CD1 4.42Å; P298-Y312 HydrophobicContact CB-CD2 3.98Å; P298-Y312 HydrophobicContact CB-CE1 4.16Å; P298-Y312 HydrophobicContact CB-CE2 3.38Å; P298-Y312 VanDerWaalsContact CB-CZ 3.46Å; P298-Y312 HydrophobicContact CG-CD1 4.26Å; P298-Y312 HydrophobicContact CG-CD2 3.43Å; P298-Y312 VanDerWaalsContact CG-CD2 3.43Å; P298-Y312 HydrophobicContact CG-CE1 4.25Å; P298-Y312 HydrophobicContact CG-CE2 3.41Å; P298-Y312 VanDerWaalsContact CG-CE2 3.41Å; P298-Y312 HydrophobicContact CG-CG 3.87Å; L306-Y312 CarbonylContact O-C 3.45Å; L306-Y312 VanDerWaalsContact O-CA 3.29Å; L306-Y312 WeakPolarHBondContact O-CA 3.02Å; Y312-H324 AromaticContact CE2-CD2 3.96Å; Y312-H324 AromaticContact CZ-CD2 3.95Å; Y312-H324 AromaticContact CZ-NE2 3.95Å; Y312-H324 PolarHBondContact OH-CD2 3.27Å; Y312-H324 PolarHBondContact OH-NE2 3.39Å | ||
| 313 | L | 90.2 | Very high | 86 | Confident | 108 Ų | 108 | 75 Ų | 75 | 57% | 0.565 | 39% | 0.391 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 123.2 | 173.6 | 174.4 | 65 | 0 | 0 | 0 | 110.7 | L306 | L306-L313 HydrophobicContact CB-CB 4.32Å; L306-L313 HydrophobicContact CD1-CD2 4.41Å; L306-L313 PolarHBondContact N-O 3.48Å; L306-L313 PolarHBondContact O-N 2.81Å |
| 314 | C | 90.9 | Very high | 86.4 | Confident | 13 Ų | 13 | 77.4 Ų | 77.4 | 9% | 0.088 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 117.2 | 171.3 | -68.4 | 0 | 0 | 0 | 0 | 111.6 | C299 C316 I323 | C299-C314 WeakPolarHBondContact CA-SG 3.06Å; C299-C314 HydrophobicContact CB-CB 3.91Å; C299-C314 WeakPolarHBondContact CB-SG 3.28Å; C299-C314 VanDerWaalsContact SG-CA 3.53Å; C299-C314 WeakPolarHBondContact SG-CB 3.35Å; C299-C314 CovalentContact SG-SG 2.04Å; C299-C314 PolarHBondContact SG-SG 3.12Å; C314-C316 PolarHBondContact O-N 3.35Å; C314-I323 WeakPolarHBondContact CB-O 3.18Å |
| 315 | I | 89 | Confident | 86.4 | Confident | 88 Ų | 88 | 70.1 Ų | 70.1 | 45% | 0.451 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 104.9 | 166.8 | -59.7 | 176.6 | 0 | 0 | 0 | 108.2 | G303 Y304 L306 | G303-I315 CarbonylContact C-O 3.44Å; G303-I315 WeakPolarHBondContact CA-O 3.49Å; Y304-I315 PolarHBondContact N-O 2.8Å; Y304-I315 PolarHBondContact O-N 3.26Å; L306-I315 HydrophobicContact CD1-CD1 3.56Å; L306-I315 HydrophobicContact CD1-CG1 4.23Å; L306-I315 HydrophobicContact CG-CD1 4.26Å |
| 316 | C | 84.7 | Confident | 86.2 | Confident | 36 Ų | 36 | 72.1 Ų | 72.1 | 24% | 0.243 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -72 | 141.5 | -176.1 | -54.9 | 0 | 0 | 0 | 0 | 112.8 | C314 Y320 C325 | C314-C316 PolarHBondContact O-N 3.35Å; C316-Y320 WeakPolarHBondContact CB-O 3.42Å; C316-C325 WeakPolarHBondContact CA-SG 3.03Å; C316-C325 HydrophobicContact CB-CB 3.73Å; C316-C325 WeakPolarHBondContact CB-SG 3Å; C316-C325 WeakPolarHBondContact SG-CA 3.26Å; C316-C325 WeakPolarHBondContact SG-CB 3.46Å; C316-C325 CovalentContact SG-SG 2.04Å; C316-C325 PolarHBondContact SG-SG 2.96Å |
| 317 | F | 82.1 | Confident | 85.8 | Confident | 127 Ų | 127 | 73.7 Ų | 73.7 | 56% | 0.557 | 38% | 0.382 | S | S | * | . | P | Polyproline II helix | trans | -61 | 153.2 | 166 | -69.7 | -23.4 | 0 | 0 | 0 | 110.8 | G302 G319 Y320 | G302-F317 WeakPolarHBondContact O-CD2 2.79Å; G302-F317 VanDerWaalsContact O-CE1 3.29Å; G302-F317 WeakPolarHBondContact O-CE1 3.11Å; G302-F317 WeakPolarHBondContact O-CE2 3.38Å; G302-F317 WeakPolarHBondContact O-CZ 3.34Å; F317-G319 PolarHBondContact O-N 2.04Å; F317-Y320 PolarHBondContact O-N 3.45Å; F317-Y320 VanDerWaalsContact O-N 3.14Å |
| 318 | L | 76.4 | Confident | 85.5 | Confident | 140 Ų | 140 | 77 Ų | 77 | 73% | 0.733 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.7 | 129 | 179.2 | -65.8 | 172.9 | 0 | 0 | 0 | 111.1 | Y348 | L318-Y348 HydrophobicContact CB-CD1 4.3Å; L318-Y348 HydrophobicContact CB-CE1 3.9Å; L318-Y348 HydrophobicContact CD1-CD1 4.45Å; L318-Y348 HydrophobicContact CD1-CE1 4.01Å |
| 319 | G | 76.9 | Confident | 85.4 | Confident | 12 Ų | 12 | 78.2 Ų | 78.2 | 12% | 0.124 | 39% | 0.392 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 95 | 1.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | F317 K328 I329 P347 | F317-G319 PolarHBondContact O-N 2.04Å; G319-K328 WeakPolarHBondContact O-CA 3.45Å; G319-I329 PolarHBondContact O-N 2.83Å; G319-P347 WeakPolarHBondContact CA-O 3.07Å |
| 320 | Y | 84.7 | Confident | 85.2 | Confident | 65 Ų | 65 | 74.2 Ų | 74.2 | 26% | 0.255 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 148.1 | 175.6 | -67.2 | -94.6 | 0 | 0 | 0 | 112.5 | K301 C316 F317 C325 H327 K328 | K301-Y320 HydrophobicContact CB-CD1 4Å; K301-Y320 HydrophobicContact CB-CE1 3.87Å; K301-Y320 HydrophobicContact CD-CE1 4.06Å; K301-Y320 HydrophobicContact CG-CD1 4.23Å; K301-Y320 HydrophobicContact CG-CE1 3.95Å; C316-Y320 WeakPolarHBondContact CB-O 3.42Å; F317-Y320 PolarHBondContact O-N 3.45Å; F317-Y320 VanDerWaalsContact O-N 3.14Å; Y320-C325 WeakPolarHBondContact CD1-O 3.01Å; Y320-H327 CarbonylContact C-O 3.35Å; Y320-H327 WeakPolarHBondContact CA-O 3.11Å; Y320-H327 WeakPolarHBondContact CD1-O 3.22Å; Y320-K328 HydrophobicContact CD1-CG 4.05Å; Y320-K328 HydrophobicContact CE1-CG 3.63Å |
| 321 | E | 81.2 | Confident | 85 | Confident | 97 Ų | 97 | 72.2 Ų | 72.2 | 45% | 0.453 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 173.3 | 175.6 | 68.5 | -179.4 | 169.9 | 0 | 0 | 110.9 | C325 E326 H327 I329 | E321-C325 CarbonylContact O-C 3.59Å; E321-E326 PolarHBondContact O-N 2.84Å; E321-H327 HydrophobicContact CG-CB 3.81Å; E321-H327 PolarHBondContact N-O 2.81Å; E321-H327 WeakPolarHBondContact O-CB 3.47Å; E321-H327 PolarHBondContact O-N 2.85Å; E321-I329 HydrophobicContact CB-CG1 3.92Å; E321-I329 HydrophobicContact CG-CG1 4.1Å |
| 322 | G | 85.6 | Confident | 84.9 | Confident | 37 Ų | 37 | 71.1 Ų | 71.1 | 38% | 0.381 | 36% | 0.359 | S | S | . | . | S | Bend | trans | 105.1 | 167.5 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | H324 C325 E326 | G322-H324 VanDerWaalsContact C-N 3.27Å; G322-H324 PolarHBondContact O-N 3.47Å; G322-C325 PolarHBondContact O-N 2.98Å; G322-E326 WeakPolarHBondContact CA-OE2 3.39Å |
| 323 | I | 87.8 | Confident | 84.6 | Confident | 127 Ų | 127 | 75.7 Ų | 75.7 | 65% | 0.651 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -31.1 | -177.6 | -62 | 173 | 0 | 0 | 0 | 110.5 | C314 E326 | C314-I323 WeakPolarHBondContact CB-O 3.18Å; I323-E326 PolarHBondContact N-OE2 3.14Å |
| 324 | H | 90.6 | Very high | 84 | Confident | 65 Ų | 65 | 75.2 Ų | 75.2 | 30% | 0.301 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.6 | 15.1 | -180 | -50.9 | 134.7 | 0 | 0 | 0 | 112.2 | P298 C299 S300 Y312 G322 E326 | P298-H324 WeakPolarHBondContact O-CB 3.48Å; C299-H324 CarbonylContact C-O 2.95Å; S300-H324 PolarHBondContact N-O 2.94Å; Y312-H324 AromaticContact CE2-CD2 3.96Å; Y312-H324 AromaticContact CZ-CD2 3.95Å; Y312-H324 AromaticContact CZ-NE2 3.95Å; Y312-H324 PolarHBondContact OH-CD2 3.27Å; Y312-H324 PolarHBondContact OH-NE2 3.39Å; G322-H324 VanDerWaalsContact C-N 3.27Å; G322-H324 PolarHBondContact O-N 3.47Å; H324-E326 VanDerWaalsContact C-OE2 3.22Å; H324-E326 VanDerWaalsContact CA-OE2 3.26Å; H324-E326 WeakPolarHBondContact CA-OE2 3.35Å; H324-E326 WeakPolarHBondContact CB-OE2 3.43Å; H324-E326 PolarHBondContact N-OE2 3.48Å; H324-E326 PolarHBondContact O-N 3.29Å |
| 325 | C | 88.3 | Confident | 83.4 | Confident | 1 Ų | 1 | 77.1 Ų | 77.1 | 1% | 0.007 | 39% | 0.393 | C | S | . | . | S | Bend | trans | 55.5 | 32.8 | -173.3 | -48.9 | 0 | 0 | 0 | 0 | 113.4 | K301 C316 Y320 E321 G322 | K301-C325 WeakPolarHBondContact CB-O 2.88Å; K301-C325 WeakPolarHBondContact CG-O 3.29Å; C316-C325 WeakPolarHBondContact CA-SG 3.03Å; C316-C325 HydrophobicContact CB-CB 3.73Å; C316-C325 WeakPolarHBondContact CB-SG 3Å; C316-C325 WeakPolarHBondContact SG-CA 3.26Å; C316-C325 WeakPolarHBondContact SG-CB 3.46Å; C316-C325 CovalentContact SG-SG 2.04Å; C316-C325 PolarHBondContact SG-SG 2.96Å; Y320-C325 WeakPolarHBondContact CD1-O 3.01Å; E321-C325 CarbonylContact O-C 3.59Å; G322-C325 PolarHBondContact O-N 2.98Å |
| 326 | E | 88.6 | Confident | 83.2 | Confident | 71 Ų | 71 | 81.1 Ų | 81.1 | 33% | 0.332 | 41% | 0.41 | S | S | . | . | trans | -81.3 | -21.6 | -172.1 | 68.2 | -86.1 | -147.7 | 0 | 0 | 113 | E321 G322 I323 H324 | E321-E326 PolarHBondContact O-N 2.84Å; G322-E326 WeakPolarHBondContact CA-OE2 3.39Å; I323-E326 PolarHBondContact N-OE2 3.14Å; H324-E326 VanDerWaalsContact C-OE2 3.22Å; H324-E326 VanDerWaalsContact CA-OE2 3.26Å; H324-E326 WeakPolarHBondContact CA-OE2 3.35Å; H324-E326 WeakPolarHBondContact CB-OE2 3.43Å; H324-E326 PolarHBondContact N-OE2 3.48Å; H324-E326 PolarHBondContact O-N 3.29Å | ||
| 327 | H | 83.4 | Confident | 83.4 | Confident | 104 Ų | 104 | 79.9 Ų | 79.9 | 48% | 0.481 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 140.6 | -176.2 | -60.3 | -55.8 | 0 | 0 | 0 | 111 | Y320 E321 | Y320-H327 CarbonylContact C-O 3.35Å; Y320-H327 WeakPolarHBondContact CA-O 3.11Å; Y320-H327 WeakPolarHBondContact CD1-O 3.22Å; E321-H327 HydrophobicContact CG-CB 3.81Å; E321-H327 PolarHBondContact N-O 2.81Å; E321-H327 WeakPolarHBondContact O-CB 3.47Å; E321-H327 PolarHBondContact O-N 2.85Å |
| 328 | K | 81.4 | Confident | 83.8 | Confident | 144 Ų | 144 | 79.6 Ų | 79.6 | 63% | 0.626 | 40% | 0.402 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 134.9 | 167.7 | -71.3 | -177.4 | 178.8 | -176.3 | 0 | 108.4 | G319 Y320 D330 | G319-K328 WeakPolarHBondContact O-CA 3.45Å; Y320-K328 HydrophobicContact CD1-CG 4.05Å; Y320-K328 HydrophobicContact CE1-CG 3.63Å; K328-D330 PolarHBondContact O-N 2.89Å |
| 329 | I | 81.9 | Confident | 84.3 | Confident | 50 Ų | 50 | 75.1 Ų | 75.1 | 26% | 0.256 | 38% | 0.379 | S | S | . | . | P | Polyproline II helix | trans | -61.4 | 130.3 | 176.4 | -62.5 | 172.3 | 0 | 0 | 0 | 108.6 | G319 E321 H331 N345 | G319-I329 PolarHBondContact O-N 2.83Å; E321-I329 HydrophobicContact CB-CG1 3.92Å; E321-I329 HydrophobicContact CG-CG1 4.1Å; I329-H331 VanDerWaalsContact CG2-CE1 3.48Å; I329-H331 WeakPolarHBondContact CG2-CE1 3.41Å; I329-N345 PolarHBondContact O-ND2 3.4Å; I329-N345 PolarHBondContact O-OD1 3.36Å |
| 330 | D | 82.4 | Confident | 84.9 | Confident | 61 Ų | 61 | 81.4 Ų | 81.4 | 33% | 0.326 | 41% | 0.405 | S | S | . | . | trans | -101.6 | 88 | 173.6 | -171.1 | 2.5 | 0 | 0 | 0 | 110.9 | K328 C332 K333 N345 | K328-D330 PolarHBondContact O-N 2.89Å; D330-C332 PolarHBondContact O-N 2.96Å; D330-C332 WeakPolarHBondContact OD1-CB 3.45Å; D330-C332 PolarHBondContact OD1-N 3.36Å; D330-K333 HydrophobicContact CB-CD 4.25Å; D330-K333 HydrophobicContact CB-CG 4.2Å; D330-K333 PolarHBondContact O-N 3.19Å; D330-K333 VanDerWaalsContact O-N 3.11Å; D330-N345 WeakPolarHBondContact CA-ND2 3.01Å | ||
| 331 | H | 81.1 | Confident | 85.1 | Confident | 41 Ų | 41 | 79 Ų | 79 | 19% | 0.19 | 40% | 0.4 | C | S | . | . | G | 310 helix | trans | -65.8 | -16.6 | -179.1 | -64.2 | -76.3 | 0 | 0 | 0 | 113.1 | I329 K333 S334 N345 L346 G349 Y350 | I329-H331 VanDerWaalsContact CG2-CE1 3.48Å; I329-H331 WeakPolarHBondContact CG2-CE1 3.41Å; H331-K333 VanDerWaalsContact C-N 3.26Å; H331-K333 PolarHBondContact O-N 3.06Å; H331-S334 PolarHBondContact O-N 2.79Å; H331-S334 PolarHBondContact O-OG 3.45Å; H331-N345 WeakPolarHBondContact CB-OD1 3.45Å; H331-N345 PolarHBondContact CD2-OD1 2.84Å; H331-N345 PolarHBondContact N-OD1 2.96Å; H331-L346 PolarHBondContact CD2-O 2.04Å; H331-L346 VanDerWaalsContact CD2-O 3.23Å; H331-G349 VanDerWaalsContact CB-C 3.47Å; H331-G349 VanDerWaalsContact CB-O 3.31Å; H331-G349 WeakPolarHBondContact CB-O 3.43Å; H331-G349 PolarHBondContact CD2-N 3.46Å; H331-G349 PolarHBondContact CD2-O 3.11Å; H331-G349 PolarHBondContact NE2-N 3.43Å; H331-Y350 HydrophobicContact CB-CD1 4.05Å; H331-Y350 HydrophobicContact CB-CG 4.49Å |
| 332 | C | 85.4 | Confident | 85.6 | Confident | 31 Ų | 31 | 78.7 Ų | 78.7 | 21% | 0.209 | 41% | 0.405 | C | S | . | . | G | 310 helix | trans | -75.2 | -11.8 | 175.1 | -70.1 | 0 | 0 | 0 | 0 | 113.2 | D330 S334 C343 V344 N345 | D330-C332 PolarHBondContact O-N 2.96Å; D330-C332 WeakPolarHBondContact OD1-CB 3.45Å; D330-C332 PolarHBondContact OD1-N 3.36Å; C332-S334 VanDerWaalsContact C-N 3.34Å; C332-C343 WeakPolarHBondContact CA-SG 3.31Å; C332-C343 HydrophobicContact CB-CB 3.81Å; C332-C343 WeakPolarHBondContact CB-SG 3.47Å; C332-C343 VanDerWaalsContact SG-C 3.52Å; C332-C343 WeakPolarHBondContact SG-CB 3.41Å; C332-C343 CovalentContact SG-SG 2.04Å; C332-C343 PolarHBondContact SG-SG 3.41Å; C332-V344 VanDerWaalsContact SG-C 3.6Å; C332-N345 PolarHBondContact SG-N 2.96Å; C332-N345 VanDerWaalsContact SG-N 3.45Å |
| 333 | K | 84 | Confident | 85.9 | Confident | 172 Ų | 172 | 78.7 Ų | 78.7 | 75% | 0.748 | 40% | 0.398 | S | S | * | . | G | 310 helix | trans | -73.9 | -26.8 | 173 | -72.7 | -177.6 | -177.9 | 173.3 | 0 | 113.3 | D330 H331 | D330-K333 HydrophobicContact CB-CD 4.25Å; D330-K333 HydrophobicContact CB-CG 4.2Å; D330-K333 PolarHBondContact O-N 3.19Å; D330-K333 VanDerWaalsContact O-N 3.11Å; H331-K333 VanDerWaalsContact C-N 3.26Å; H331-K333 PolarHBondContact O-N 3.06Å |
| 334 | S | 78.2 | Confident | 85.9 | Confident | 97 Ų | 97 | 75.7 Ų | 75.7 | 68% | 0.678 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -91.6 | -6.4 | 179.9 | 53.4 | 0 | 0 | 0 | 0 | 113.6 | H331 C332 | H331-S334 PolarHBondContact O-N 2.79Å; H331-S334 PolarHBondContact O-OG 3.45Å; C332-S334 VanDerWaalsContact C-N 3.34Å |
| 335 | H | 78.3 | Confident | 85.5 | Confident | 53 Ų | 53 | 75.7 Ų | 75.7 | 25% | 0.245 | 39% | 0.388 | C | S | . | . | trans | -145.9 | 136.2 | -174 | -163.4 | 86.7 | 0 | 0 | 0 | 113 | Y350 F362 | H335-Y350 HydrophobicContact CB-CD1 4.17Å; H335-Y350 HydrophobicContact CB-CD2 3.97Å; H335-Y350 HydrophobicContact CB-CE1 3.81Å; H335-Y350 HydrophobicContact CB-CE2 3.59Å; H335-Y350 HydrophobicContact CB-CG 4.26Å; H335-Y350 AromaticContact CD2-CD2 3.72Å; H335-Y350 AromaticContact CD2-CE2 3.02Å; H335-Y350 WeakPolarHBondContact CD2-CE2 3.47Å; H335-Y350 AromaticContact CD2-CZ 3.63Å; H335-Y350 AromaticContact CE1-CE2 3.89Å; H335-Y350 AromaticContact CE1-CZ 3.91Å; H335-Y350 PolarHBondContact CE1-OH 2.96Å; H335-Y350 VanDerWaalsContact CE1-OH 3.29Å; H335-Y350 AromaticContact CG-CD2 3.94Å; H335-Y350 AromaticContact CG-CE2 3.16Å; H335-Y350 AromaticContact CG-CZ 3.24Å; H335-Y350 AromaticContact ND1-CE2 3.75Å; H335-Y350 AromaticContact ND1-CZ 3.49Å; H335-Y350 PolarHBondContact ND1-OH 2.94Å; H335-Y350 AromaticContact NE2-CE2 3.51Å; H335-F362 AromaticContact CE1-CD1 3.71Å; H335-F362 AromaticContact NE2-CD1 3.13Å; H335-F362 WeakPolarHBondContact NE2-CD1 3.38Å; H335-F362 AromaticContact NE2-CE1 3.82Å; H335-F362 AromaticContact NE2-CG 3.65Å | ||
| 336 | E | 84.5 | Confident | 85 | Confident | 172 Ų | 172 | 79.4 Ų | 79.4 | 80% | 0.804 | 41% | 0.407 | S | S | * | . | trans | -115 | 125.2 | 177.7 | -172.8 | 170.1 | -169.5 | 0 | 0 | 108.8 | ||||
| 337 | C | 89.5 | Confident | 84.1 | Confident | 11 Ų | 11 | 79.9 Ų | 79.9 | 7% | 0.074 | 42% | 0.417 | C | S | . | . | trans | -74.6 | 132.7 | 178 | -57.1 | 0 | 0 | 0 | 0 | 110.2 | G341 C343 C352 | C337-G341 WeakPolarHBondContact CB-O 3.46Å; C337-C343 VanDerWaalsContact SG-CA 3.57Å; C337-C352 VanDerWaalsContact CA-SG 3.6Å; C337-C352 HydrophobicContact CB-CB 3.68Å; C337-C352 WeakPolarHBondContact CB-SG 3.47Å; C337-C352 WeakPolarHBondContact SG-CA 3.01Å; C337-C352 WeakPolarHBondContact SG-CB 3.19Å; C337-C352 CovalentContact SG-SG 2.03Å; C337-C352 PolarHBondContact SG-SG 2.03Å | ||
| 338 | E | 89 | Confident | 83.5 | Confident | 121 Ų | 121 | 83.9 Ų | 83.9 | 57% | 0.565 | 43% | 0.429 | S | S | * | . | G | 310 helix | trans | -71.2 | 168.6 | -179.5 | -69.4 | -72.2 | -175.8 | 0 | 0 | 111.9 | E340 G341 F362 C363 | E338-E340 PolarHBondContact O-N 2.87Å; E338-G341 PolarHBondContact O-N 3.18Å; E338-F362 PolarHBondContact N-O 3.41Å; E338-C363 VanDerWaalsContact O-CB 3.3Å; E338-C363 WeakPolarHBondContact O-CB 3.23Å |
| 339 | N | 88.2 | Confident | 83.2 | Confident | 46 Ų | 46 | 77.8 Ų | 77.8 | 25% | 0.246 | 41% | 0.407 | C | S | . | . | G | 310 helix | trans | 53.5 | 30 | 173.9 | -71.9 | -51 | 0 | 0 | 0 | 115.7 | P355 Y357 A358 C363 E364 | N339-P355 WeakPolarHBondContact O-CG 3.02Å; N339-Y357 HydrophobicContact CB-CE2 4.25Å; N339-Y357 PolarHBondContact O-OH 2.85Å; N339-A358 HydrophobicContact CB-CB 3.99Å; N339-C363 WeakPolarHBondContact CB-O 3.47Å; N339-C363 PolarHBondContact ND2-O 2.93Å; N339-E364 PolarHBondContact ND2-O 3.49Å |
| 340 | E | 88.2 | Confident | 83.3 | Confident | 143 Ų | 143 | 78.7 Ų | 78.7 | 67% | 0.668 | 41% | 0.407 | S | S | * | . | G | 310 helix | trans | 69.1 | 29.2 | -176.7 | -53.4 | 159.3 | -140.5 | 0 | 0 | 113.4 | E338 K385 | E338-E340 PolarHBondContact O-N 2.87Å; E340-K385 IonicContact OE1-NZ 2.62Å; E340-K385 PolarHBondContact OE1-NZ 3.11Å |
| 341 | G | 90.2 | Very high | 83.6 | Confident | 15 Ų | 15 | 77.8 Ų | 77.8 | 16% | 0.155 | 41% | 0.408 | C | S | . | . | P | Polyproline II helix | trans | -61.9 | 143.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | C337 E338 | C337-G341 WeakPolarHBondContact CB-O 3.46Å; E338-G341 PolarHBondContact O-N 3.18Å |
| 342 | T | 91.7 | Very high | 84 | Confident | 91 Ų | 91 | 76.7 Ų | 76.7 | 56% | 0.558 | 41% | 0.405 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 117.5 | 174.4 | -54.6 | 0 | 0 | 0 | 0 | 109.9 | K353 | T342-K353 PolarHBondContact N-O 2.82Å; T342-K353 PolarHBondContact O-N 3.36Å |
| 343 | C | 90.8 | Very high | 84.3 | Confident | 36 Ų | 36 | 82.5 Ų | 82.5 | 24% | 0.243 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 132.9 | 175.1 | -171.9 | 0 | 0 | 0 | 0 | 111.4 | C332 C337 | C332-C343 WeakPolarHBondContact CA-SG 3.31Å; C332-C343 HydrophobicContact CB-CB 3.81Å; C332-C343 WeakPolarHBondContact CB-SG 3.47Å; C332-C343 VanDerWaalsContact SG-C 3.52Å; C332-C343 WeakPolarHBondContact SG-CB 3.41Å; C332-C343 CovalentContact SG-SG 2.04Å; C332-C343 PolarHBondContact SG-SG 3.41Å; C337-C343 VanDerWaalsContact SG-CA 3.57Å |
| 344 | V | 88.9 | Confident | 84.7 | Confident | 65 Ų | 65 | 76.2 Ų | 76.2 | 39% | 0.394 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 116.9 | 174.4 | -177.9 | 0 | 0 | 0 | 0 | 108 | C332 L346 Y350 A351 K353 | C332-V344 VanDerWaalsContact SG-C 3.6Å; V344-L346 HydrophobicContact CG1-CD2 4.18Å; V344-L346 PolarHBondContact O-N 3.42Å; V344-Y350 WeakPolarHBondContact O-CA 3.48Å; V344-A351 PolarHBondContact N-O 2.04Å; V344-A351 PolarHBondContact O-N 3.23Å; V344-K353 HydrophobicContact CG2-CB 4.47Å |
| 345 | N | 81.7 | Confident | 85.1 | Confident | 65 Ų | 65 | 73.2 Ų | 73.2 | 35% | 0.348 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 123 | 177.4 | -173.4 | 31.1 | 0 | 0 | 0 | 110.3 | I329 D330 H331 C332 | I329-N345 PolarHBondContact O-ND2 3.4Å; I329-N345 PolarHBondContact O-OD1 3.36Å; D330-N345 WeakPolarHBondContact CA-ND2 3.01Å; H331-N345 WeakPolarHBondContact CB-OD1 3.45Å; H331-N345 PolarHBondContact CD2-OD1 2.84Å; H331-N345 PolarHBondContact N-OD1 2.96Å; C332-N345 PolarHBondContact SG-N 2.96Å; C332-N345 VanDerWaalsContact SG-N 3.45Å |
| 346 | L | 78.1 | Confident | 85.7 | Confident | 78 Ų | 78 | 79.4 Ų | 79.4 | 41% | 0.408 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 159.7 | -178.5 | -64.1 | 176.4 | 0 | 0 | 0 | 110.3 | H331 V344 Y348 G349 A351 | H331-L346 PolarHBondContact CD2-O 2.04Å; H331-L346 VanDerWaalsContact CD2-O 3.23Å; V344-L346 HydrophobicContact CG1-CD2 4.18Å; V344-L346 PolarHBondContact O-N 3.42Å; L346-Y348 PolarHBondContact O-N 3.19Å; L346-G349 CarbonylContact C-O 3.18Å; L346-G349 WeakPolarHBondContact CA-O 3.37Å; L346-G349 WeakPolarHBondContact CB-O 3.04Å; L346-G349 PolarHBondContact N-O 3.48Å; L346-G349 PolarHBondContact O-N 3.01Å; L346-A351 HydrophobicContact CD1-CB 3.71Å |
| 347 | P | 68.5 | Low | 85.9 | Confident | 81 Ų | 81 | 73.4 Ų | 73.4 | 53% | 0.526 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -20.9 | -179.5 | -24.5 | 34.3 | 0 | 0 | 0 | 115.3 | G319 | G319-P347 WeakPolarHBondContact CA-O 3.07Š|
| 348 | Y | 70.9 | Confident | 85.9 | Confident | 189 Ų | 189 | 73.3 Ų | 73.3 | 74% | 0.741 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.4 | 22.8 | -174.8 | -53.8 | -68.4 | 0 | 0 | 0 | 112.8 | L318 L346 | L318-Y348 HydrophobicContact CB-CD1 4.3Å; L318-Y348 HydrophobicContact CB-CE1 3.9Å; L318-Y348 HydrophobicContact CD1-CD1 4.45Å; L318-Y348 HydrophobicContact CD1-CE1 4.01Å; L346-Y348 PolarHBondContact O-N 3.19Å |
| 349 | G | 76.7 | Confident | 85.9 | Confident | 15 Ų | 15 | 70.4 Ų | 70.4 | 16% | 0.155 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 145.5 | -149.7 | -178 | 0 | 0 | 0 | 0 | 0 | 112.5 | H331 L346 | H331-G349 VanDerWaalsContact CB-C 3.47Å; H331-G349 VanDerWaalsContact CB-O 3.31Å; H331-G349 WeakPolarHBondContact CB-O 3.43Å; H331-G349 PolarHBondContact CD2-N 3.46Å; H331-G349 PolarHBondContact CD2-O 3.11Å; H331-G349 PolarHBondContact NE2-N 3.43Å; L346-G349 CarbonylContact C-O 3.18Å; L346-G349 WeakPolarHBondContact CA-O 3.37Å; L346-G349 WeakPolarHBondContact CB-O 3.04Å; L346-G349 PolarHBondContact N-O 3.48Å; L346-G349 PolarHBondContact O-N 3.01Å |
| 350 | Y | 83.7 | Confident | 85.8 | Confident | 69 Ų | 69 | 70.2 Ų | 70.2 | 27% | 0.271 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 158.9 | 178.5 | 59.7 | -83.7 | 0 | 0 | 0 | 109.5 | H331 H335 V344 F362 | H331-Y350 HydrophobicContact CB-CD1 4.05Å; H331-Y350 HydrophobicContact CB-CG 4.49Å; H335-Y350 HydrophobicContact CB-CD1 4.17Å; H335-Y350 HydrophobicContact CB-CD2 3.97Å; H335-Y350 HydrophobicContact CB-CE1 3.81Å; H335-Y350 HydrophobicContact CB-CE2 3.59Å; H335-Y350 HydrophobicContact CB-CG 4.26Å; H335-Y350 AromaticContact CD2-CD2 3.72Å; H335-Y350 AromaticContact CD2-CE2 3.02Å; H335-Y350 WeakPolarHBondContact CD2-CE2 3.47Å; H335-Y350 AromaticContact CD2-CZ 3.63Å; H335-Y350 AromaticContact CE1-CE2 3.89Å; H335-Y350 AromaticContact CE1-CZ 3.91Å; H335-Y350 PolarHBondContact CE1-OH 2.96Å; H335-Y350 VanDerWaalsContact CE1-OH 3.29Å; H335-Y350 AromaticContact CG-CD2 3.94Å; H335-Y350 AromaticContact CG-CE2 3.16Å; H335-Y350 AromaticContact CG-CZ 3.24Å; H335-Y350 AromaticContact ND1-CE2 3.75Å; H335-Y350 AromaticContact ND1-CZ 3.49Å; H335-Y350 PolarHBondContact ND1-OH 2.94Å; H335-Y350 AromaticContact NE2-CE2 3.51Å; V344-Y350 WeakPolarHBondContact O-CA 3.48Å; Y350-F362 HydrophobicContact CD2-CE1 4.45Å; Y350-F362 AromaticContact CE2-CD1 3.73Å; Y350-F362 HydrophobicContact CE2-CD1 3.73Å; Y350-F362 AromaticContact CE2-CE1 3.37Å; Y350-F362 HydrophobicContact CE2-CE1 3.37Å; Y350-F362 AromaticContact CZ-CE1 3.74Å; Y350-F362 WeakPolarHBondContact OH-CE1 3.4Å |
| 351 | A | 87.4 | Confident | 85.8 | Confident | 42 Ų | 42 | 70.1 Ų | 70.1 | 35% | 0.347 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 142.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | V344 L346 | V344-A351 PolarHBondContact N-O 2.04Å; V344-A351 PolarHBondContact O-N 3.23Å; L346-A351 HydrophobicContact CD1-CB 3.71Å |
| 352 | C | 90.2 | Very high | 85.8 | Confident | 19 Ų | 19 | 72.2 Ų | 72.2 | 13% | 0.128 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 123.7 | 178.3 | -67.5 | 0 | 0 | 0 | 0 | 111 | C337 C354 E361 | C337-C352 VanDerWaalsContact CA-SG 3.6Å; C337-C352 HydrophobicContact CB-CB 3.68Å; C337-C352 WeakPolarHBondContact CB-SG 3.47Å; C337-C352 WeakPolarHBondContact SG-CA 3.01Å; C337-C352 WeakPolarHBondContact SG-CB 3.19Å; C337-C352 CovalentContact SG-SG 2.03Å; C337-C352 PolarHBondContact SG-SG 2.03Å; C352-C354 PolarHBondContact O-N 3.48Å; C352-E361 WeakPolarHBondContact CB-O 3.3Å |
| 353 | K | 92.6 | Very high | 85.7 | Confident | 152 Ų | 152 | 67.9 Ų | 67.9 | 66% | 0.661 | 36% | 0.359 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 104.5 | 169.7 | -174 | -178.2 | 179.6 | -176.6 | 0 | 108.9 | T342 V344 | T342-K353 PolarHBondContact N-O 2.82Å; T342-K353 PolarHBondContact O-N 3.36Å; V344-K353 HydrophobicContact CG2-CB 4.47Å |
| 354 | C | 90.6 | Very high | 85.6 | Confident | 41 Ų | 41 | 70.4 Ų | 70.4 | 28% | 0.277 | 37% | 0.367 | S | S | . | . | trans | -76.6 | 143.7 | -176.6 | -52.6 | 0 | 0 | 0 | 0 | 113 | C352 A358 C363 | C352-C354 PolarHBondContact O-N 3.48Å; C354-A358 HydrophobicContact CB-CB 4.26Å; C354-C363 WeakPolarHBondContact CA-SG 2.98Å; C354-C363 HydrophobicContact CB-CB 3.82Å; C354-C363 WeakPolarHBondContact CB-SG 3.48Å; C354-C363 PolarHBondContact N-SG 3.05Å; C354-C363 WeakPolarHBondContact SG-CA 3Å; C354-C363 WeakPolarHBondContact SG-CB 3.13Å; C354-C363 CovalentContact SG-SG 2.04Å; C354-C363 PolarHBondContact SG-SG 2.93Å | ||
| 355 | P | 88.5 | Confident | 85.5 | Confident | 34 Ų | 34 | 71.5 Ų | 71.5 | 22% | 0.221 | 37% | 0.371 | C | S | . | . | trans | -65.8 | 162.8 | 167.4 | 27.4 | -33.1 | 0 | 0 | 0 | 111.1 | N339 Y357 A358 | N339-P355 WeakPolarHBondContact O-CG 3.02Å; P355-Y357 HydrophobicContact CB-CD1 4.15Å; P355-Y357 HydrophobicContact CB-CE1 3.69Å; P355-Y357 HydrophobicContact CB-CE2 4.45Å; P355-Y357 HydrophobicContact CG-CD1 4.43Å; P355-Y357 HydrophobicContact CG-CD2 4.37Å; P355-Y357 HydrophobicContact CG-CE1 3.85Å; P355-Y357 HydrophobicContact CG-CE2 3.73Å; P355-Y357 VanDerWaalsContact CG-CZ 3.43Å; P355-Y357 PolarHBondContact O-N 3.48Å; P355-A358 HydrophobicContact CG-CB 4.08Å; P355-A358 PolarHBondContact O-N 2.61Å | ||
| 356 | E | 89.6 | Confident | 85.7 | Confident | 183 Ų | 183 | 71.2 Ų | 71.2 | 86% | 0.855 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -20.6 | -170.6 | -64.2 | -166.2 | 151.7 | 0 | 0 | 115.5 | K367 | E356-K367 WeakPolarHBondContact O-CD 3.35Š|
| 357 | Y | 88.3 | Confident | 86.1 | Confident | 46 Ų | 46 | 72 Ų | 72 | 18% | 0.18 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | -3.3 | -179.8 | 61.4 | -103.4 | 0 | 0 | 0 | 114.2 | N339 P355 L366 K367 K385 | N339-Y357 HydrophobicContact CB-CE2 4.25Å; N339-Y357 PolarHBondContact O-OH 2.85Å; P355-Y357 HydrophobicContact CB-CD1 4.15Å; P355-Y357 HydrophobicContact CB-CE1 3.69Å; P355-Y357 HydrophobicContact CB-CE2 4.45Å; P355-Y357 HydrophobicContact CG-CD1 4.43Å; P355-Y357 HydrophobicContact CG-CD2 4.37Å; P355-Y357 HydrophobicContact CG-CE1 3.85Å; P355-Y357 HydrophobicContact CG-CE2 3.73Å; P355-Y357 VanDerWaalsContact CG-CZ 3.43Å; P355-Y357 PolarHBondContact O-N 3.48Å; Y357-L366 HydrophobicContact CD2-CD2 3.88Å; Y357-L366 HydrophobicContact CE2-CD2 4.39Å; Y357-K367 WeakPolarHBondContact O-CB 3.38Å; Y357-K367 PolarHBondContact O-N 3.29Å; Y357-K385 HydrophobicContact CD2-CG 3.9Å; Y357-K385 HydrophobicContact CE2-CD 4.23Å; Y357-K385 VanDerWaalsContact CE2-CE 3.41Å; Y357-K385 HydrophobicContact CE2-CG 3.94Å; Y357-K385 HydrophobicContact CG-CG 4.4Å; Y357-K385 VanDerWaalsContact OH-CE 3.24Å; Y357-K385 WeakPolarHBondContact OH-CE 3.24Å |
| 358 | A | 89.7 | Confident | 86.9 | Confident | 8 Ų | 8 | 72 Ų | 72 | 7% | 0.066 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 152.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | N339 C354 P355 C363 D365 | N339-A358 HydrophobicContact CB-CB 3.99Å; C354-A358 HydrophobicContact CB-CB 4.26Å; P355-A358 HydrophobicContact CG-CB 4.08Å; P355-A358 PolarHBondContact O-N 2.61Å; A358-C363 HydrophobicContact CB-CB 4.24Å; A358-D365 CarbonylContact C-O 3.44Å; A358-D365 VanDerWaalsContact CA-O 3.23Å; A358-D365 WeakPolarHBondContact CA-O 3.28Å |
| 359 | T | 89 | Confident | 87.6 | Confident | 61 Ų | 61 | 65.3 Ų | 65.3 | 37% | 0.374 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 173.9 | 179.7 | 54.4 | 0 | 0 | 0 | 0 | 109.5 | C363 E364 D365 K367 | T359-C363 CarbonylContact O-C 3.55Å; T359-C363 WeakPolarHBondContact O-CA 3.35Å; T359-E364 PolarHBondContact O-N 2.76Å; T359-D365 PolarHBondContact N-O 3.14Å; T359-D365 WeakPolarHBondContact O-CB 3.5Å; T359-D365 PolarHBondContact O-N 2.99Å; T359-D365 VanDerWaalsContact O-O 3.14Å; T359-K367 HydrophobicContact CG2-CB 4.17Å; T359-K367 HydrophobicContact CG2-CG 4.36Å |
| 360 | G | 87.3 | Confident | 88 | Confident | 41 Ų | 41 | 65.9 Ų | 65.9 | 42% | 0.423 | 34% | 0.343 | S | S | . | . | S | Bend | trans | 104.6 | 171.4 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 361 | E | 87.9 | Confident | 88 | Confident | 142 Ų | 142 | 70.2 Ų | 70.2 | 66% | 0.664 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -75.4 | -31 | -179.8 | -172.6 | 175 | 176.2 | 0 | 0 | 111.4 | C352 E364 | C352-E361 WeakPolarHBondContact CB-O 3.3Å; E361-E364 PolarHBondContact N-OE1 3.44Å; E361-E364 PolarHBondContact N-OE2 2.79Å |
| 362 | F | 88.9 | Confident | 87.7 | Confident | 59 Ų | 59 | 72.4 Ų | 72.4 | 26% | 0.259 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -115.7 | 14.8 | -179.4 | -51.9 | -65.3 | 0 | 0 | 0 | 112.3 | H335 E338 Y350 E364 | H335-F362 AromaticContact CE1-CD1 3.71Å; H335-F362 AromaticContact NE2-CD1 3.13Å; H335-F362 WeakPolarHBondContact NE2-CD1 3.38Å; H335-F362 AromaticContact NE2-CE1 3.82Å; H335-F362 AromaticContact NE2-CG 3.65Å; E338-F362 PolarHBondContact N-O 3.41Å; Y350-F362 HydrophobicContact CD2-CE1 4.45Å; Y350-F362 AromaticContact CE2-CD1 3.73Å; Y350-F362 HydrophobicContact CE2-CD1 3.73Å; Y350-F362 AromaticContact CE2-CE1 3.37Å; Y350-F362 HydrophobicContact CE2-CE1 3.37Å; Y350-F362 AromaticContact CZ-CE1 3.74Å; Y350-F362 WeakPolarHBondContact OH-CE1 3.4Å; F362-E364 VanDerWaalsContact C-OE2 3.23Å; F362-E364 VanDerWaalsContact CA-OE2 3.28Å; F362-E364 WeakPolarHBondContact CA-OE2 3.38Å; F362-E364 PolarHBondContact N-OE2 3.29Å; F362-E364 PolarHBondContact O-N 3.01Å |
| 363 | C | 89.7 | Confident | 87 | Confident | 0 Ų | 0 | 80.4 Ų | 80.4 | 0% | 0 | 41% | 0.405 | C | S | . | . | S | Bend | trans | 62.1 | 28.8 | -176.5 | -45.9 | 0 | 0 | 0 | 0 | 113.6 | E338 N339 C354 A358 T359 | E338-C363 VanDerWaalsContact O-CB 3.3Å; E338-C363 WeakPolarHBondContact O-CB 3.23Å; N339-C363 WeakPolarHBondContact CB-O 3.47Å; N339-C363 PolarHBondContact ND2-O 2.93Å; C354-C363 WeakPolarHBondContact CA-SG 2.98Å; C354-C363 HydrophobicContact CB-CB 3.82Å; C354-C363 WeakPolarHBondContact CB-SG 3.48Å; C354-C363 PolarHBondContact N-SG 3.05Å; C354-C363 WeakPolarHBondContact SG-CA 3Å; C354-C363 WeakPolarHBondContact SG-CB 3.13Å; C354-C363 CovalentContact SG-SG 2.04Å; C354-C363 PolarHBondContact SG-SG 2.93Å; A358-C363 HydrophobicContact CB-CB 4.24Å; T359-C363 CarbonylContact O-C 3.55Å; T359-C363 WeakPolarHBondContact O-CA 3.35Å |
| 364 | E | 89.1 | Confident | 86.4 | Confident | 88 Ų | 88 | 78.6 Ų | 78.6 | 41% | 0.411 | 40% | 0.402 | S | S | . | . | trans | -70.3 | -29.5 | -177.5 | 64.4 | -83.9 | -157.8 | 0 | 0 | 113.2 | N339 T359 E361 F362 | N339-E364 PolarHBondContact ND2-O 3.49Å; T359-E364 PolarHBondContact O-N 2.76Å; E361-E364 PolarHBondContact N-OE1 3.44Å; E361-E364 PolarHBondContact N-OE2 2.79Å; F362-E364 VanDerWaalsContact C-OE2 3.23Å; F362-E364 VanDerWaalsContact CA-OE2 3.28Å; F362-E364 WeakPolarHBondContact CA-OE2 3.38Å; F362-E364 PolarHBondContact N-OE2 3.29Å; F362-E364 PolarHBondContact O-N 3.01Å | ||
| 365 | D | 88.1 | Confident | 86.2 | Confident | 89 Ų | 89 | 77.5 Ų | 77.5 | 48% | 0.476 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 139.5 | -175 | -65.7 | -43.6 | 0 | 0 | 0 | 111.4 | A358 T359 | A358-D365 CarbonylContact C-O 3.44Å; A358-D365 VanDerWaalsContact CA-O 3.23Å; A358-D365 WeakPolarHBondContact CA-O 3.28Å; T359-D365 PolarHBondContact N-O 3.14Å; T359-D365 WeakPolarHBondContact O-CB 3.5Å; T359-D365 PolarHBondContact O-N 2.99Å; T359-D365 VanDerWaalsContact O-O 3.14Å |
| 366 | L | 86 | Confident | 86.1 | Confident | 58 Ų | 58 | 76 Ų | 76 | 30% | 0.304 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 133.1 | 164.4 | -68 | 176.1 | 0 | 0 | 0 | 109.1 | Y357 D368 K385 | Y357-L366 HydrophobicContact CD2-CD2 3.88Å; Y357-L366 HydrophobicContact CE2-CD2 4.39Å; L366-D368 PolarHBondContact O-N 3.39Å; L366-D368 VanDerWaalsContact O-N 3.15Å; L366-K385 HydrophobicContact CD1-CB 4.33Å; L366-K385 HydrophobicContact CD2-CB 4.34Å; L366-K385 HydrophobicContact CD2-CG 4.28Å |
| 367 | K | 85.3 | Confident | 85.9 | Confident | 95 Ų | 95 | 68.8 Ų | 68.8 | 41% | 0.413 | 36% | 0.358 | S | S | . | . | P | Polyproline II helix | trans | -52.3 | 124.1 | 175.3 | -173.8 | 175.4 | -177.4 | 177.3 | 0 | 109.3 | E356 Y357 T359 N369 N383 | E356-K367 WeakPolarHBondContact O-CD 3.35Å; Y357-K367 WeakPolarHBondContact O-CB 3.38Å; Y357-K367 PolarHBondContact O-N 3.29Å; T359-K367 HydrophobicContact CG2-CB 4.17Å; T359-K367 HydrophobicContact CG2-CG 4.36Å; K367-N369 PolarHBondContact O-N 3.08Å; K367-N369 VanDerWaalsContact O-N 3.09Å; K367-N369 PolarHBondContact O-ND2 3.03Å; K367-N383 PolarHBondContact O-ND2 3.04Å; K367-N383 PolarHBondContact O-OD1 2.73Å |
| 368 | D | 85.4 | Confident | 85.9 | Confident | 80 Ų | 80 | 71.1 Ų | 71.1 | 43% | 0.428 | 37% | 0.37 | S | S | . | . | trans | -68.9 | 109.5 | -179.3 | -175.7 | 17.2 | 0 | 0 | 0 | 110.6 | L366 C370 K371 | L366-D368 PolarHBondContact O-N 3.39Å; L366-D368 VanDerWaalsContact O-N 3.15Å; D368-C370 WeakPolarHBondContact OD1-CA 3.44Å; D368-C370 WeakPolarHBondContact OD1-CB 2.77Å; D368-C370 PolarHBondContact OD1-N 3.15Å; D368-K371 WeakPolarHBondContact O-CE 3.13Å; D368-K371 WeakPolarHBondContact O-CG 3.46Å | ||
| 369 | N | 84.7 | Confident | 85.8 | Confident | 49 Ų | 49 | 71.6 Ų | 71.6 | 26% | 0.262 | 38% | 0.376 | S | S | . | . | trans | -95.3 | 2.6 | 175 | -57.9 | -65.9 | 0 | 0 | 0 | 112.1 | K367 Q375 N383 G387 Y388 | K367-N369 PolarHBondContact O-N 3.08Å; K367-N369 VanDerWaalsContact O-N 3.09Å; K367-N369 PolarHBondContact O-ND2 3.03Å; N369-Q375 PolarHBondContact O-OE1 3.3Å; N369-N383 WeakPolarHBondContact CB-OD1 3.2Å; N369-N383 PolarHBondContact N-OD1 3.25Å; N369-N383 PolarHBondContact ND2-OD1 3.18Å; N369-G387 WeakPolarHBondContact ND2-CA 3.46Å; N369-G387 PolarHBondContact ND2-N 2.97Å; N369-G387 PolarHBondContact ND2-O 3.09Å; N369-G387 VanDerWaalsContact ND2-O 3.08Å; N369-Y388 HydrophobicContact CB-CD1 4.03Å; N369-Y388 HydrophobicContact CB-CG 4.48Å; N369-Y388 WeakPolarHBondContact O-CD1 3.36Å | ||
| 370 | C | 86.9 | Confident | 85.8 | Confident | 27 Ų | 27 | 75 Ų | 75 | 18% | 0.182 | 38% | 0.383 | C | S | . | . | trans | -95.4 | 31.1 | 178.5 | -71.7 | 0 | 0 | 0 | 0 | 113.6 | D368 D372 Q375 C381 R382 N383 | D368-C370 WeakPolarHBondContact OD1-CA 3.44Å; D368-C370 WeakPolarHBondContact OD1-CB 2.77Å; D368-C370 PolarHBondContact OD1-N 3.15Å; C370-D372 PolarHBondContact O-N 3.03Å; C370-Q375 PolarHBondContact O-NE2 2.65Å; C370-C381 WeakPolarHBondContact CA-SG 3.43Å; C370-C381 HydrophobicContact CB-CB 3.69Å; C370-C381 WeakPolarHBondContact CB-SG 3.18Å; C370-C381 VanDerWaalsContact SG-C 3.51Å; C370-C381 WeakPolarHBondContact SG-CB 3.36Å; C370-C381 CovalentContact SG-SG 2.04Å; C370-C381 PolarHBondContact SG-SG 3.15Å; C370-R382 VanDerWaalsContact SG-C 3.59Å; C370-N383 PolarHBondContact SG-N 2.84Å; C370-N383 VanDerWaalsContact SG-N 3.44Å | ||
| 371 | K | 82.2 | Confident | 85.9 | Confident | 160 Ų | 160 | 74.7 Ų | 74.7 | 70% | 0.696 | 37% | 0.374 | S | S | * | . | trans | -73.1 | -25.8 | -171.9 | -62.8 | -171.4 | 179.4 | -170.5 | 0 | 115.5 | D368 | D368-K371 WeakPolarHBondContact O-CE 3.13Å; D368-K371 WeakPolarHBondContact O-CG 3.46Å | ||
| 372 | D | 81.1 | Confident | 86 | Confident | 89 Ų | 89 | 73.6 Ų | 73.6 | 48% | 0.476 | 36% | 0.364 | S | S | . | . | trans | -92.4 | 109.8 | -179.4 | 174.5 | 8.6 | 0 | 0 | 0 | 109.6 | C370 N374 Q375 | C370-D372 PolarHBondContact O-N 3.03Å; D372-N374 PolarHBondContact O-N 2.93Å; D372-N374 PolarHBondContact OD1-N 3.32Å; D372-Q375 HydrophobicContact CB-CB 3.99Å; D372-Q375 VanDerWaalsContact O-CB 3.31Å; D372-Q375 WeakPolarHBondContact O-CB 3.31Å; D372-Q375 WeakPolarHBondContact O-CG 3.35Å; D372-Q375 PolarHBondContact O-N 2.69Å; D372-Q375 PolarHBondContact O-NE2 2.6Å | ||
| 373 | E | 76.4 | Confident | 85.9 | Confident | 186 Ų | 186 | 73.2 Ų | 73.2 | 87% | 0.869 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | -26.5 | -178.8 | -158 | 170.9 | -166 | 0 | 0 | 112.4 | ||
| 374 | N | 79.2 | Confident | 85.6 | Confident | 115 Ų | 115 | 77.6 Ų | 77.6 | 62% | 0.615 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.6 | 6 | 179.9 | -70 | -47.2 | 0 | 0 | 0 | 114.4 | D372 C376 G377 | D372-N374 PolarHBondContact O-N 2.93Å; D372-N374 PolarHBondContact OD1-N 3.32Å; N374-C376 PolarHBondContact O-N 2.87Å; N374-G377 PolarHBondContact O-N 3.09Å |
| 375 | Q | 86.3 | Confident | 85.3 | Confident | 18 Ų | 18 | 78.6 Ų | 78.6 | 8% | 0.084 | 39% | 0.386 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -27.8 | -176.8 | 74.4 | -148.9 | -34.4 | 0 | 0 | 113 | N369 C370 D372 C381 Y388 S400 | N369-Q375 PolarHBondContact O-OE1 3.3Å; C370-Q375 PolarHBondContact O-NE2 2.65Å; D372-Q375 HydrophobicContact CB-CB 3.99Å; D372-Q375 VanDerWaalsContact O-CB 3.31Å; D372-Q375 WeakPolarHBondContact O-CB 3.31Å; D372-Q375 WeakPolarHBondContact O-CG 3.35Å; D372-Q375 PolarHBondContact O-N 2.69Å; D372-Q375 PolarHBondContact O-NE2 2.6Å; Q375-C381 HydrophobicContact CG-CB 4.42Å; Q375-C381 VanDerWaalsContact NE2-CB 3.33Å; Q375-C381 PolarHBondContact NE2-SG 2.86Å; Q375-Y388 HydrophobicContact CB-CE2 4.29Å; Q375-Y388 HydrophobicContact CG-CD2 4.33Å; Q375-Y388 HydrophobicContact CG-CE2 3.89Å; Q375-S400 WeakPolarHBondContact O-CB 3.37Å |
| 376 | C | 88 | Confident | 84.9 | Confident | 3 Ų | 3 | 77.1 Ų | 77.1 | 2% | 0.02 | 39% | 0.392 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.4 | 13.3 | -178 | -65.2 | 0 | 0 | 0 | 0 | 114 | N374 Q378 G379 C381 C390 S400 C401 | N374-C376 PolarHBondContact O-N 2.87Å; C376-Q378 CarbonylContact O-C 3.55Å; C376-Q378 PolarHBondContact O-N 3.17Å; C376-G379 WeakPolarHBondContact CB-O 3.44Å; C376-G379 PolarHBondContact O-N 3.44Å; C376-C381 VanDerWaalsContact SG-CA 3.6Å; C376-C381 VanDerWaalsContact SG-CB 3.54Å; C376-C390 WeakPolarHBondContact CA-SG 3.43Å; C376-C390 HydrophobicContact CB-CB 3.55Å; C376-C390 WeakPolarHBondContact CB-SG 3.09Å; C376-C390 WeakPolarHBondContact SG-CA 3.45Å; C376-C390 WeakPolarHBondContact SG-CB 3.06Å; C376-C390 CovalentContact SG-SG 2.03Å; C376-C390 PolarHBondContact SG-SG 2.97Å; C376-S400 CarbonylContact C-O 3.47Å; C376-S400 WeakPolarHBondContact CA-O 3.45Å; C376-C401 VanDerWaalsContact O-CB 3.22Å; C376-C401 WeakPolarHBondContact O-CB 3.03Å |
| 377 | G | 84.9 | Confident | 84.8 | Confident | 30 Ų | 30 | 75.2 Ų | 75.2 | 31% | 0.309 | 39% | 0.387 | S | S | . | . | S | Bend | trans | 51.9 | -112.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | N374 S400 | N374-G377 PolarHBondContact O-N 3.09Å; G377-S400 PolarHBondContact N-O 3.24Å |
| 378 | Q | 87 | Confident | 84.9 | Confident | 96 Ų | 96 | 75.6 Ų | 75.6 | 45% | 0.449 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -103.9 | 76.8 | 175.3 | -63.9 | -74.8 | -6.1 | 0 | 0 | 109.6 | C376 D393 Y396 C401 | C376-Q378 CarbonylContact O-C 3.55Å; C376-Q378 PolarHBondContact O-N 3.17Å; Q378-D393 PolarHBondContact O-N 3.39Å; Q378-Y396 HydrophobicContact CB-CD1 3.68Å; Q378-Y396 HydrophobicContact CB-CD2 3.46Å; Q378-Y396 VanDerWaalsContact CB-CD2 3.46Å; Q378-Y396 HydrophobicContact CB-CE1 3.79Å; Q378-Y396 HydrophobicContact CB-CE2 3.56Å; Q378-Y396 HydrophobicContact CB-CG 3.52Å; Q378-Y396 HydrophobicContact CG-CD1 4Å; Q378-Y396 HydrophobicContact CG-CD2 4.17Å; Q378-Y396 HydrophobicContact CG-CE1 3.58Å; Q378-Y396 HydrophobicContact CG-CE2 3.76Å; Q378-Y396 HydrophobicContact CG-CG 4.28Å; Q378-Y396 VanDerWaalsContact CG-CZ 3.45Å; Q378-C401 PolarHBondContact N-O 3.44Å; Q378-C401 VanDerWaalsContact O-CB 3.23Å; Q378-C401 WeakPolarHBondContact O-CB 3.45Å |
| 379 | G | 88.2 | Confident | 85.2 | Confident | 18 Ų | 18 | 74.1 Ų | 74.1 | 19% | 0.186 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 175.6 | 165.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | C376 I391 D393 | C376-G379 WeakPolarHBondContact CB-O 3.44Å; C376-G379 PolarHBondContact O-N 3.44Å; G379-I391 CarbonylContact C-O 3.56Å; G379-I391 WeakPolarHBondContact CA-O 3.5Å; G379-D393 PolarHBondContact N-OD2 2.93Å |
| 380 | Y | 89.2 | Confident | 85.4 | Confident | 132 Ų | 132 | 72.8 Ų | 72.8 | 52% | 0.518 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 145.7 | 179.3 | 74.1 | -90 | 0 | 0 | 0 | 112 | I391 | Y380-I391 HydrophobicContact CD1-CB 3.86Å; Y380-I391 HydrophobicContact CD1-CG2 4.07Å; Y380-I391 HydrophobicContact CD2-CB 4.41Å; Y380-I391 HydrophobicContact CE1-CB 3.44Å; Y380-I391 VanDerWaalsContact CE1-CB 3.44Å; Y380-I391 HydrophobicContact CE1-CD1 4.21Å; Y380-I391 HydrophobicContact CE1-CG1 4.37Å; Y380-I391 HydrophobicContact CE1-CG2 3.31Å; Y380-I391 HydrophobicContact CE2-CB 4.05Å; Y380-I391 HydrophobicContact CE2-CD1 3.58Å; Y380-I391 HydrophobicContact CE2-CG1 4.21Å; Y380-I391 HydrophobicContact CG-CB 4.34Å; Y380-I391 PolarHBondContact N-O 3.31Å; Y380-I391 PolarHBondContact O-N 2.97Å; Y380-I391 WeakPolarHBondContact OH-CD1 3.44Å |
| 381 | C | 90.2 | Very high | 85.6 | Confident | 34 Ų | 34 | 73.8 Ų | 73.8 | 23% | 0.23 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 133 | 177.1 | -171.1 | 0 | 0 | 0 | 0 | 111.3 | C370 Q375 C376 Y388 | C370-C381 WeakPolarHBondContact CA-SG 3.43Å; C370-C381 HydrophobicContact CB-CB 3.69Å; C370-C381 WeakPolarHBondContact CB-SG 3.18Å; C370-C381 VanDerWaalsContact SG-C 3.51Å; C370-C381 WeakPolarHBondContact SG-CB 3.36Å; C370-C381 CovalentContact SG-SG 2.04Å; C370-C381 PolarHBondContact SG-SG 3.15Å; Q375-C381 HydrophobicContact CG-CB 4.42Å; Q375-C381 VanDerWaalsContact NE2-CB 3.33Å; Q375-C381 PolarHBondContact NE2-SG 2.86Å; C376-C381 VanDerWaalsContact SG-CA 3.6Å; C376-C381 VanDerWaalsContact SG-CB 3.54Å; C381-Y388 VanDerWaalsContact SG-CB 3.6Å; C381-Y388 VanDerWaalsContact SG-CD2 3.53Å |
| 382 | R | 89.6 | Confident | 85.9 | Confident | 120 Ų | 120 | 68.3 Ų | 68.3 | 45% | 0.453 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 118.6 | 171.3 | -176.5 | 168.4 | 74.7 | -176.8 | -0.4 | 109.8 | C370 Y388 E389 I391 | C370-R382 VanDerWaalsContact SG-C 3.59Å; R382-Y388 WeakPolarHBondContact O-CA 3.31Å; R382-E389 HydrophobicContact CB-CG 4.05Å; R382-E389 IonicContact CZ-OE1 2.99Å; R382-E389 PolarHBondContact N-O 3.06Å; R382-E389 IonicContact NE-OE1 2.65Å; R382-E389 PolarHBondContact NE-OE1 2.81Å; R382-E389 VanDerWaalsContact NH2-CD 3.32Å; R382-E389 IonicContact NH2-OE1 2.6Å; R382-E389 PolarHBondContact NH2-OE1 3.35Å; R382-E389 IonicContact NH2-OE2 3.58Å; R382-E389 PolarHBondContact O-N 3.44Å; R382-I391 HydrophobicContact CB-CD1 4.26Å |
| 383 | N | 86.1 | Confident | 86.2 | Confident | 50 Ų | 50 | 67.7 Ų | 67.7 | 27% | 0.267 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 141 | 177.6 | -162.6 | 36 | 0 | 0 | 0 | 110.7 | K367 N369 C370 G387 | K367-N383 PolarHBondContact O-ND2 3.04Å; K367-N383 PolarHBondContact O-OD1 2.73Å; N369-N383 WeakPolarHBondContact CB-OD1 3.2Å; N369-N383 PolarHBondContact N-OD1 3.25Å; N369-N383 PolarHBondContact ND2-OD1 3.18Å; C370-N383 PolarHBondContact SG-N 2.84Å; C370-N383 VanDerWaalsContact SG-N 3.44Å; N383-G387 PolarHBondContact OD1-O 2.03Å; N383-G387 VanDerWaalsContact OD1-O 3.09Å |
| 384 | K | 84.2 | Confident | 86.5 | Confident | 92 Ų | 92 | 68.2 Ų | 68.2 | 40% | 0.4 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 163.8 | -177.1 | -85.1 | -176.6 | 146.6 | 168.2 | 0 | 111.1 | G386 G387 E389 | K384-G386 PolarHBondContact O-N 3.05Å; K384-G387 CarbonylContact C-O 3.47Å; K384-G387 PolarHBondContact N-O 2.04Å; K384-G387 PolarHBondContact O-N 3.42Å; K384-G387 VanDerWaalsContact O-N 3.14Å; K384-E389 HydrophobicContact CD-CB 4.42Å; K384-E389 HydrophobicContact CD-CG 4.22Å; K384-E389 WeakPolarHBondContact CD-OE1 3.02Å; K384-E389 VanDerWaalsContact CE-CD 3.42Å; K384-E389 WeakPolarHBondContact CE-OE1 2.98Å; K384-E389 IonicContact NZ-OE1 2.86Å; K384-E389 PolarHBondContact NZ-OE1 2.86Å; K384-E389 IonicContact NZ-OE2 2.69Å; K384-E389 PolarHBondContact NZ-OE2 3.35Å |
| 385 | K | 82.2 | Confident | 86.5 | Confident | 109 Ų | 109 | 63.6 Ų | 63.6 | 47% | 0.474 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | 112.9 | 172.3 | -172.3 | 178.1 | -178.3 | 177.7 | 0 | 109.2 | E340 Y357 L366 | E340-K385 IonicContact OE1-NZ 2.62Å; E340-K385 PolarHBondContact OE1-NZ 3.11Å; Y357-K385 HydrophobicContact CD2-CG 3.9Å; Y357-K385 HydrophobicContact CE2-CD 4.23Å; Y357-K385 VanDerWaalsContact CE2-CE 3.41Å; Y357-K385 HydrophobicContact CE2-CG 3.94Å; Y357-K385 HydrophobicContact CG-CG 4.4Å; Y357-K385 VanDerWaalsContact OH-CE 3.24Å; Y357-K385 WeakPolarHBondContact OH-CE 3.24Å; L366-K385 HydrophobicContact CD1-CB 4.33Å; L366-K385 HydrophobicContact CD2-CB 4.34Å; L366-K385 HydrophobicContact CD2-CG 4.28Å |
| 386 | G | 79.5 | Confident | 86.5 | Confident | 58 Ų | 58 | 66.1 Ų | 66.1 | 60% | 0.598 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.4 | 13.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | K384 | K384-G386 PolarHBondContact O-N 3.05Š|
| 387 | G | 84.7 | Confident | 86.3 | Confident | 19 Ų | 19 | 69.5 Ų | 69.5 | 20% | 0.196 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 172.3 | -156.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | N369 N383 K384 | N369-G387 WeakPolarHBondContact ND2-CA 3.46Å; N369-G387 PolarHBondContact ND2-N 2.97Å; N369-G387 PolarHBondContact ND2-O 3.09Å; N369-G387 VanDerWaalsContact ND2-O 3.08Å; N383-G387 PolarHBondContact OD1-O 2.03Å; N383-G387 VanDerWaalsContact OD1-O 3.09Å; K384-G387 CarbonylContact C-O 3.47Å; K384-G387 PolarHBondContact N-O 2.04Å; K384-G387 PolarHBondContact O-N 3.42Å; K384-G387 VanDerWaalsContact O-N 3.14Å |
| 388 | Y | 87.8 | Confident | 86.3 | Confident | 102 Ų | 102 | 69.9 Ų | 69.9 | 40% | 0.4 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 165 | 175 | 69.6 | -80.9 | 0 | 0 | 0 | 110.6 | N369 Q375 C381 R382 | N369-Y388 HydrophobicContact CB-CD1 4.03Å; N369-Y388 HydrophobicContact CB-CG 4.48Å; N369-Y388 WeakPolarHBondContact O-CD1 3.36Å; Q375-Y388 HydrophobicContact CB-CE2 4.29Å; Q375-Y388 HydrophobicContact CG-CD2 4.33Å; Q375-Y388 HydrophobicContact CG-CE2 3.89Å; C381-Y388 VanDerWaalsContact SG-CB 3.6Å; C381-Y388 VanDerWaalsContact SG-CD2 3.53Å; R382-Y388 WeakPolarHBondContact O-CA 3.31Å |
| 389 | E | 89.9 | Confident | 86.2 | Confident | 50 Ų | 50 | 74.8 Ų | 74.8 | 23% | 0.234 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 149.6 | 166.1 | 76 | -165.8 | 134.8 | 0 | 0 | 110.8 | R382 K384 | R382-E389 HydrophobicContact CB-CG 4.05Å; R382-E389 IonicContact CZ-OE1 2.99Å; R382-E389 PolarHBondContact N-O 3.06Å; R382-E389 IonicContact NE-OE1 2.65Å; R382-E389 PolarHBondContact NE-OE1 2.81Å; R382-E389 VanDerWaalsContact NH2-CD 3.32Å; R382-E389 IonicContact NH2-OE1 2.6Å; R382-E389 PolarHBondContact NH2-OE1 3.35Å; R382-E389 IonicContact NH2-OE2 3.58Å; R382-E389 PolarHBondContact O-N 3.44Å; K384-E389 HydrophobicContact CD-CB 4.42Å; K384-E389 HydrophobicContact CD-CG 4.22Å; K384-E389 WeakPolarHBondContact CD-OE1 3.02Å; K384-E389 VanDerWaalsContact CE-CD 3.42Å; K384-E389 WeakPolarHBondContact CE-OE1 2.98Å; K384-E389 IonicContact NZ-OE1 2.86Å; K384-E389 PolarHBondContact NZ-OE1 2.86Å; K384-E389 IonicContact NZ-OE2 2.69Å; K384-E389 PolarHBondContact NZ-OE2 3.35Å |
| 390 | C | 90.4 | Very high | 86.1 | Confident | 20 Ų | 20 | 76 Ų | 76 | 14% | 0.135 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 133.2 | 175.6 | -60.5 | 0 | 0 | 0 | 0 | 110.4 | C376 K399 | C376-C390 WeakPolarHBondContact CA-SG 3.43Å; C376-C390 HydrophobicContact CB-CB 3.55Å; C376-C390 WeakPolarHBondContact CB-SG 3.09Å; C376-C390 WeakPolarHBondContact SG-CA 3.45Å; C376-C390 WeakPolarHBondContact SG-CB 3.06Å; C376-C390 CovalentContact SG-SG 2.03Å; C376-C390 PolarHBondContact SG-SG 2.97Å; C390-K399 WeakPolarHBondContact CB-O 3.22Å; C390-K399 PolarHBondContact SG-O 3.05Å; C390-K399 VanDerWaalsContact SG-O 3.42Å |
| 391 | I | 89.8 | Confident | 86.1 | Confident | 49 Ų | 49 | 69.7 Ų | 69.7 | 25% | 0.251 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 108.8 | 173.9 | -61.7 | 175.3 | 0 | 0 | 0 | 106.7 | G379 Y380 R382 | G379-I391 CarbonylContact C-O 3.56Å; G379-I391 WeakPolarHBondContact CA-O 3.5Å; Y380-I391 HydrophobicContact CD1-CB 3.86Å; Y380-I391 HydrophobicContact CD1-CG2 4.07Å; Y380-I391 HydrophobicContact CD2-CB 4.41Å; Y380-I391 HydrophobicContact CE1-CB 3.44Å; Y380-I391 VanDerWaalsContact CE1-CB 3.44Å; Y380-I391 HydrophobicContact CE1-CD1 4.21Å; Y380-I391 HydrophobicContact CE1-CG1 4.37Å; Y380-I391 HydrophobicContact CE1-CG2 3.31Å; Y380-I391 HydrophobicContact CE2-CB 4.05Å; Y380-I391 HydrophobicContact CE2-CD1 3.58Å; Y380-I391 HydrophobicContact CE2-CG1 4.21Å; Y380-I391 HydrophobicContact CG-CB 4.34Å; Y380-I391 PolarHBondContact N-O 3.31Å; Y380-I391 PolarHBondContact O-N 2.97Å; Y380-I391 WeakPolarHBondContact OH-CD1 3.44Å; R382-I391 HydrophobicContact CB-CD1 4.26Å |
| 392 | C | 88.2 | Confident | 86 | Confident | 45 Ų | 45 | 74.7 Ų | 74.7 | 30% | 0.304 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 143.2 | -170.1 | -52.6 | 0 | 0 | 0 | 0 | 112.6 | G398 C401 | C392-G398 PolarHBondContact SG-O 3.31Å; C392-G398 VanDerWaalsContact SG-O 3.35Å; C392-C401 WeakPolarHBondContact CA-SG 3.13Å; C392-C401 HydrophobicContact CB-CB 3.49Å; C392-C401 VanDerWaalsContact CB-CB 3.49Å; C392-C401 WeakPolarHBondContact CB-SG 2.96Å; C392-C401 PolarHBondContact N-SG 2.96Å; C392-C401 VanDerWaalsContact N-SG 3.36Å; C392-C401 VanDerWaalsContact SG-CA 3.51Å; C392-C401 WeakPolarHBondContact SG-CB 2.98Å; C392-C401 CovalentContact SG-SG 2.03Å; C392-C401 PolarHBondContact SG-SG 3.22Å |
| 393 | D | 88.4 | Confident | 85.7 | Confident | 75 Ų | 75 | 73 Ų | 73 | 40% | 0.401 | 39% | 0.389 | S | S | . | . | P | Polyproline II helix | trans | -69.7 | 158.7 | 170.4 | -62.7 | -31.4 | 0 | 0 | 0 | 110.4 | Q378 G379 G395 Y396 | Q378-D393 PolarHBondContact O-N 3.39Å; G379-D393 PolarHBondContact N-OD2 2.93Å; D393-G395 PolarHBondContact O-N 3.24Å; D393-Y396 PolarHBondContact O-N 3.05Å; D393-Y396 VanDerWaalsContact O-N 3.1Å |
| 394 | E | 83 | Confident | 85.3 | Confident | 197 Ų | 197 | 76.1 Ų | 76.1 | 92% | 0.921 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | 131.7 | 177.6 | -69.6 | -170.1 | 166.8 | 0 | 0 | 111 | ||
| 395 | G | 79 | Confident | 85 | Confident | 18 Ų | 18 | 75.6 Ų | 75.6 | 19% | 0.186 | 40% | 0.402 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 93 | -2.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | D393 K404 I405 | D393-G395 PolarHBondContact O-N 3.24Å; G395-K404 CarbonylContact O-C 3.51Å; G395-K404 WeakPolarHBondContact O-CA 3.47Å; G395-I405 WeakPolarHBondContact O-CG1 3.49Å; G395-I405 PolarHBondContact O-N 2.91Å |
| 396 | Y | 87 | Confident | 84.6 | Confident | 71 Ų | 71 | 75.3 Ų | 75.3 | 28% | 0.278 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 151.7 | 176.1 | -67.3 | -91.8 | 0 | 0 | 0 | 112.9 | Q378 D393 T403 K404 | Q378-Y396 HydrophobicContact CB-CD1 3.68Å; Q378-Y396 HydrophobicContact CB-CD2 3.46Å; Q378-Y396 VanDerWaalsContact CB-CD2 3.46Å; Q378-Y396 HydrophobicContact CB-CE1 3.79Å; Q378-Y396 HydrophobicContact CB-CE2 3.56Å; Q378-Y396 HydrophobicContact CB-CG 3.52Å; Q378-Y396 HydrophobicContact CG-CD1 4Å; Q378-Y396 HydrophobicContact CG-CD2 4.17Å; Q378-Y396 HydrophobicContact CG-CE1 3.58Å; Q378-Y396 HydrophobicContact CG-CE2 3.76Å; Q378-Y396 HydrophobicContact CG-CG 4.28Å; Q378-Y396 VanDerWaalsContact CG-CZ 3.45Å; D393-Y396 PolarHBondContact O-N 3.05Å; D393-Y396 VanDerWaalsContact O-N 3.1Å; Y396-T403 CarbonylContact C-O 3.52Å; Y396-T403 WeakPolarHBondContact CA-O 3.42Å; Y396-K404 HydrophobicContact CE1-CB 4.25Å |
| 397 | T | 83.9 | Confident | 84.4 | Confident | 74 Ų | 74 | 77 Ų | 77 | 45% | 0.454 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 171.7 | -178.9 | -168.5 | 0 | 0 | 0 | 0 | 112.3 | C401 T403 I405 | T397-C401 WeakPolarHBondContact O-CA 3.33Å; T397-T403 HydrophobicContact CG2-CG2 3.95Å; T397-T403 PolarHBondContact N-O 3.36Å; T397-T403 WeakPolarHBondContact O-CB 3.12Å; T397-T403 PolarHBondContact O-N 2.03Å; T397-I405 HydrophobicContact CG2-CG1 4.32Å |
| 398 | G | 84 | Confident | 84.2 | Confident | 39 Ų | 39 | 77.4 Ų | 77.4 | 40% | 0.402 | 39% | 0.393 | S | S | . | . | S | Bend | trans | 92.6 | 165.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | C392 S400 C401 | C392-G398 PolarHBondContact SG-O 3.31Å; C392-G398 VanDerWaalsContact SG-O 3.35Å; G398-S400 PolarHBondContact O-N 3.03Å; G398-C401 PolarHBondContact O-N 3.25Å; G398-C401 VanDerWaalsContact O-N 3.11Å |
| 399 | K | 85.3 | Confident | 83.7 | Confident | 199 Ų | 199 | 76 Ų | 76 | 87% | 0.865 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -18.8 | -176.8 | -69.2 | -174 | 178 | -177.7 | 0 | 114.9 | C390 | C390-K399 WeakPolarHBondContact CB-O 3.22Å; C390-K399 PolarHBondContact SG-O 3.05Å; C390-K399 VanDerWaalsContact SG-O 3.42Å |
| 400 | S | 86.8 | Confident | 83.1 | Confident | 42 Ų | 42 | 81.7 Ų | 81.7 | 29% | 0.294 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.3 | 10.7 | -179.7 | -53.5 | 0 | 0 | 0 | 0 | 112.6 | Q375 C376 G377 G398 K402 | Q375-S400 WeakPolarHBondContact O-CB 3.37Å; C376-S400 CarbonylContact C-O 3.47Å; C376-S400 WeakPolarHBondContact CA-O 3.45Å; G377-S400 PolarHBondContact N-O 3.24Å; G398-S400 PolarHBondContact O-N 3.03Å; S400-K402 WeakPolarHBondContact O-CG 3.23Å; S400-K402 PolarHBondContact O-N 2.78Å |
| 401 | C | 88.4 | Confident | 82.5 | Confident | 0 Ų | 0 | 82.2 Ų | 82.2 | 0% | 0 | 44% | 0.436 | C | S | . | . | S | Bend | trans | 47.3 | 37.4 | 179.4 | -37.7 | 0 | 0 | 0 | 0 | 115.2 | C376 Q378 C392 T397 G398 | C376-C401 VanDerWaalsContact O-CB 3.22Å; C376-C401 WeakPolarHBondContact O-CB 3.03Å; Q378-C401 PolarHBondContact N-O 3.44Å; Q378-C401 VanDerWaalsContact O-CB 3.23Å; Q378-C401 WeakPolarHBondContact O-CB 3.45Å; C392-C401 WeakPolarHBondContact CA-SG 3.13Å; C392-C401 HydrophobicContact CB-CB 3.49Å; C392-C401 VanDerWaalsContact CB-CB 3.49Å; C392-C401 WeakPolarHBondContact CB-SG 2.96Å; C392-C401 PolarHBondContact N-SG 2.96Å; C392-C401 VanDerWaalsContact N-SG 3.36Å; C392-C401 VanDerWaalsContact SG-CA 3.51Å; C392-C401 WeakPolarHBondContact SG-CB 2.98Å; C392-C401 CovalentContact SG-SG 2.03Å; C392-C401 PolarHBondContact SG-SG 3.22Å; T397-C401 WeakPolarHBondContact O-CA 3.33Å; G398-C401 PolarHBondContact O-N 3.25Å; G398-C401 VanDerWaalsContact O-N 3.11Å |
| 402 | K | 87 | Confident | 82.2 | Confident | 140 Ų | 140 | 87.6 Ų | 87.6 | 61% | 0.609 | 46% | 0.46 | S | S | * | . | trans | -97.3 | -13 | 178.7 | -73.4 | 172.6 | -172.9 | -177.7 | 0 | 112.8 | S400 | S400-K402 WeakPolarHBondContact O-CG 3.23Å; S400-K402 PolarHBondContact O-N 2.78Å | ||
| 403 | T | 83.8 | Confident | 82 | Confident | 83 Ų | 83 | 86.4 Ų | 86.4 | 51% | 0.509 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 115.2 | -177.1 | -52.7 | 0 | 0 | 0 | 0 | 109.1 | Y396 T397 | Y396-T403 CarbonylContact C-O 3.52Å; Y396-T403 WeakPolarHBondContact CA-O 3.42Å; T397-T403 HydrophobicContact CG2-CG2 3.95Å; T397-T403 PolarHBondContact N-O 3.36Å; T397-T403 WeakPolarHBondContact O-CB 3.12Å; T397-T403 PolarHBondContact O-N 2.03Å |
| 404 | K | 78.8 | Confident | 81.8 | Confident | 116 Ų | 116 | 90.5 Ų | 90.5 | 50% | 0.504 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 137.6 | 172.1 | -168 | 175.1 | -177.2 | 177.1 | 0 | 109.5 | G395 Y396 D406 D423 | G395-K404 CarbonylContact O-C 3.51Å; G395-K404 WeakPolarHBondContact O-CA 3.47Å; Y396-K404 HydrophobicContact CE1-CB 4.25Å; K404-D406 PolarHBondContact O-N 2.98Å; K404-D423 VanDerWaalsContact CE-OD1 3.27Å; K404-D423 WeakPolarHBondContact CE-OD1 3.44Å; K404-D423 IonicContact NZ-OD1 2.61Å; K404-D423 PolarHBondContact NZ-OD1 3.36Å |
| 405 | I | 77.1 | Confident | 81.6 | Confident | 82 Ų | 82 | 85 Ų | 85 | 42% | 0.421 | 44% | 0.439 | S | S | . | . | trans | -67.9 | 114.5 | 177.3 | -64.1 | 174.4 | 0 | 0 | 0 | 108.3 | G395 T397 R407 | G395-I405 WeakPolarHBondContact O-CG1 3.49Å; G395-I405 PolarHBondContact O-N 2.91Å; T397-I405 HydrophobicContact CG2-CG1 4.32Å; I405-R407 HydrophobicContact CG2-CG 4.4Å; I405-R407 PolarHBondContact O-N 3.12Å | ||
| 406 | D | 74.7 | Confident | 81.7 | Confident | 103 Ų | 103 | 87.5 Ų | 87.5 | 55% | 0.551 | 46% | 0.464 | S | S | * | . | trans | -76.3 | 101.3 | 171.1 | -178.3 | -1.5 | 0 | 0 | 0 | 109.3 | K404 C408 A409 | K404-D406 PolarHBondContact O-N 2.98Å; D406-C408 PolarHBondContact O-N 2.8Å; D406-C408 PolarHBondContact OD1-N 3.1Å; D406-A409 HydrophobicContact CB-CB 4.13Å; D406-A409 WeakPolarHBondContact O-CB 3.02Å; D406-A409 PolarHBondContact O-N 3.36Å; D406-A409 PolarHBondContact OD1-N 2.92Å | ||
| 407 | R | 74.9 | Confident | 81.6 | Confident | 94 Ų | 94 | 84.9 Ų | 84.9 | 36% | 0.355 | 46% | 0.459 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -13.2 | -179.5 | -60.1 | -178.5 | -176 | -139.4 | 10.4 | 112.9 | I405 I411 D423 E424 | I405-R407 HydrophobicContact CG2-CG 4.4Å; I405-R407 PolarHBondContact O-N 3.12Å; R407-I411 WeakPolarHBondContact O-CD1 3.27Å; R407-I411 WeakPolarHBondContact O-CG1 3.37Å; R407-D423 PolarHBondContact NH2-O 2.9Å; R407-E424 PolarHBondContact NH1-O 2.02Å |
| 408 | C | 79.5 | Confident | 81.8 | Confident | 26 Ų | 26 | 84.9 Ų | 84.9 | 18% | 0.176 | 46% | 0.462 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | -6.7 | 175 | -77 | 0 | 0 | 0 | 0 | 112.9 | D406 D410 I411 C419 | D406-C408 PolarHBondContact O-N 2.8Å; D406-C408 PolarHBondContact OD1-N 3.1Å; C408-D410 PolarHBondContact O-N 3.4Å; C408-D410 VanDerWaalsContact O-N 3.12Å; C408-I411 PolarHBondContact O-N 3.21Å; C408-C419 HydrophobicContact CB-CB 3.97Å; C408-C419 WeakPolarHBondContact CB-SG 3.43Å; C408-C419 WeakPolarHBondContact SG-CB 3.13Å; C408-C419 CovalentContact SG-SG 2.06Å; C408-C419 PolarHBondContact SG-SG 3.36Å |
| 409 | A | 78.4 | Confident | 81.9 | Confident | 74 Ų | 74 | 84.6 Ų | 84.6 | 61% | 0.612 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -28.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | D406 | D406-A409 HydrophobicContact CB-CB 4.13Å; D406-A409 WeakPolarHBondContact O-CB 3.02Å; D406-A409 PolarHBondContact O-N 3.36Å; D406-A409 PolarHBondContact OD1-N 2.92Å |
| 410 | D | 77.7 | Confident | 81.8 | Confident | 168 Ų | 168 | 78.3 Ų | 78.3 | 90% | 0.898 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.9 | 14.4 | 179.3 | -98.6 | -19.3 | 0 | 0 | 0 | 113.4 | C408 | C408-D410 PolarHBondContact O-N 3.4Å; C408-D410 VanDerWaalsContact O-N 3.12Å |
| 411 | I | 77.9 | Confident | 81.2 | Confident | 31 Ų | 31 | 79 Ų | 79 | 16% | 0.159 | 44% | 0.437 | C | S | . | . | trans | -115.8 | 117.6 | -170.2 | -53.5 | -167.4 | 0 | 0 | 0 | 112.4 | R407 C408 Y426 Y438 | R407-I411 WeakPolarHBondContact O-CD1 3.27Å; R407-I411 WeakPolarHBondContact O-CG1 3.37Å; C408-I411 PolarHBondContact O-N 3.21Å; I411-Y426 HydrophobicContact CD1-CD1 3.24Å; I411-Y426 HydrophobicContact CD1-CD2 3.11Å; I411-Y426 HydrophobicContact CD1-CE1 3.46Å; I411-Y426 VanDerWaalsContact CD1-CE1 3.46Å; I411-Y426 HydrophobicContact CD1-CE2 3.34Å; I411-Y426 HydrophobicContact CD1-CG 3.04Å; I411-Y426 VanDerWaalsContact CD1-CZ 3.49Å; I411-Y426 HydrophobicContact CG1-CD2 4.45Å; I411-Y426 HydrophobicContact CG2-CD2 4.21Å; I411-Y426 HydrophobicContact CG2-CE2 4.34Å; I411-Y438 HydrophobicContact CG2-CD1 4.15Å; I411-Y438 HydrophobicContact CG2-CE1 3.98Å | ||
| 412 | E | 82.9 | Confident | 80.3 | Confident | 162 Ų | 162 | 83.9 Ų | 83.9 | 76% | 0.757 | 46% | 0.463 | S | S | * | . | trans | -107.5 | 104.1 | 177.8 | -167.1 | 177.4 | -162.2 | 0 | 0 | 110.8 | ||||
| 413 | C | 83.6 | Confident | 79.2 | Confident | 20 Ų | 20 | 82.5 Ų | 82.5 | 14% | 0.135 | 46% | 0.462 | C | S | . | . | trans | -77.9 | 124.5 | 172 | -53.1 | 0 | 0 | 0 | 0 | 109.9 | G417 C419 C428 | C413-G417 VanDerWaalsContact CB-C 3.5Å; C413-G417 WeakPolarHBondContact CB-O 3.22Å; C413-C419 VanDerWaalsContact SG-CA 3.55Å; C413-C419 PolarHBondContact SG-N 2.99Å; C413-C419 VanDerWaalsContact SG-N 3.36Å; C413-C428 VanDerWaalsContact CA-SG 3.59Å; C413-C428 HydrophobicContact CB-CB 3.72Å; C413-C428 WeakPolarHBondContact CB-SG 3.16Å; C413-C428 VanDerWaalsContact SG-CA 3.54Å; C413-C428 WeakPolarHBondContact SG-CB 3.28Å; C413-C428 CovalentContact SG-SG 2.02Å; C413-C428 PolarHBondContact SG-SG 3.33Å | ||
| 414 | R | 83.5 | Confident | 78.5 | Confident | 161 Ų | 161 | 86.4 Ų | 86.4 | 61% | 0.608 | 47% | 0.474 | S | S | * | . | S | Bend | trans | -81.3 | 173.4 | -178.8 | -64.1 | -169.3 | 173.1 | -161.2 | -2 | 112.1 | G416 G417 Y438 C439 | R414-G416 PolarHBondContact O-N 2.61Å; R414-G417 PolarHBondContact O-N 2.81Å; R414-Y438 WeakPolarHBondContact CB-O 3.45Å; R414-Y438 PolarHBondContact N-O 3.13Å; R414-C439 VanDerWaalsContact O-CB 3.28Å; R414-C439 WeakPolarHBondContact O-CB 3.32Å |
| 415 | N | 79.7 | Confident | 78 | Confident | 82 Ų | 82 | 83 Ų | 83 | 44% | 0.439 | 47% | 0.468 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.3 | 33.7 | 175.8 | -59.1 | -35.4 | 0 | 0 | 0 | 115.5 | P431 T434 C439 | N415-P431 VanDerWaalsContact O-CG 3.29Å; N415-P431 WeakPolarHBondContact O-CG 3.36Å; N415-T434 HydrophobicContact CB-CG2 3.67Å; N415-C439 WeakPolarHBondContact CB-O 3.41Å; N415-C439 PolarHBondContact ND2-O 3.05Å |
| 416 | G | 79.9 | Confident | 78.1 | Confident | 70 Ų | 70 | 82.6 Ų | 82.6 | 72% | 0.722 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.6 | 18.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | R414 | R414-G416 PolarHBondContact O-N 2.61Š|
| 417 | G | 85.2 | Confident | 78.5 | Confident | 16 Ų | 16 | 80.5 Ų | 80.5 | 17% | 0.165 | 46% | 0.455 | C | S | . | . | trans | -66.7 | 150.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | C413 R414 N429 | C413-G417 VanDerWaalsContact CB-C 3.5Å; C413-G417 WeakPolarHBondContact CB-O 3.22Å; R414-G417 PolarHBondContact O-N 2.81Å; G417-N429 WeakPolarHBondContact CA-O 3.35Å | ||
| 418 | S | 87.8 | Confident | 79 | Confident | 74 Ų | 74 | 76.5 Ų | 76.5 | 52% | 0.517 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 122 | 177.4 | -174.8 | 0 | 0 | 0 | 0 | 110.8 | N429 | S418-N429 PolarHBondContact N-O 2.06Å; S418-N429 PolarHBondContact O-N 2.88Å |
| 419 | C | 86.8 | Confident | 79.4 | Confident | 33 Ų | 33 | 79.3 Ų | 79.3 | 22% | 0.223 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 133 | 175.8 | -168 | 0 | 0 | 0 | 0 | 110.3 | C408 C413 | C408-C419 HydrophobicContact CB-CB 3.97Å; C408-C419 WeakPolarHBondContact CB-SG 3.43Å; C408-C419 WeakPolarHBondContact SG-CB 3.13Å; C408-C419 CovalentContact SG-SG 2.06Å; C408-C419 PolarHBondContact SG-SG 3.36Å; C413-C419 VanDerWaalsContact SG-CA 3.55Å; C413-C419 PolarHBondContact SG-N 2.99Å; C413-C419 VanDerWaalsContact SG-N 3.36Å |
| 420 | T | 82.8 | Confident | 79.7 | Confident | 67 Ų | 67 | 78.1 Ų | 78.1 | 41% | 0.411 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 126 | 169.3 | 49.2 | 0 | 0 | 0 | 0 | 108.2 | Y426 S427 N429 | T420-Y426 CarbonylContact O-C 3.4Å; T420-Y426 WeakPolarHBondContact O-CA 3.06Å; T420-S427 PolarHBondContact N-O 2.78Å; T420-S427 PolarHBondContact O-N 3.21Å; T420-S427 PolarHBondContact OG1-O 3.23Å; T420-S427 VanDerWaalsContact OG1-O 3.12Å; T420-N429 WeakPolarHBondContact CG2-ND2 3.28Å; T420-N429 PolarHBondContact OG1-ND2 2.76Å |
| 421 | S | 74.6 | Confident | 80 | Confident | 57 Ų | 57 | 72.8 Ų | 72.8 | 40% | 0.399 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 135.6 | 173 | 60.3 | 0 | 0 | 0 | 0 | 110.9 | A425 | S421-A425 CarbonylContact C-O 3.57Å; S421-A425 VanDerWaalsContact CA-O 3.32Å; S421-A425 WeakPolarHBondContact CA-O 3.36Å |
| 422 | N | 69.5 | Low | 80.2 | Confident | 102 Ų | 102 | 81.8 Ų | 81.8 | 55% | 0.545 | 45% | 0.454 | S | S | . | . | trans | -103.5 | -171.7 | 163.8 | 65.8 | 10.7 | 0 | 0 | 0 | 109.5 | E424 A425 | N422-E424 PolarHBondContact O-N 2.85Å; N422-E424 PolarHBondContact OD1-N 3.04Å; N422-A425 PolarHBondContact N-O 2.7Å; N422-A425 WeakPolarHBondContact OD1-CA 2.99Å; N422-A425 PolarHBondContact OD1-N 2.74Å; N422-A425 PolarHBondContact OD1-O 2.99Å | ||
| 423 | D | 64.9 | Low | 79.8 | Confident | 111 Ų | 111 | 76.2 Ų | 76.2 | 59% | 0.594 | 44% | 0.441 | S | S | * | . | S | Bend | trans | -64.4 | -21.3 | -175.8 | -63.7 | -40.7 | 0 | 0 | 0 | 113.7 | K404 R407 | K404-D423 VanDerWaalsContact CE-OD1 3.27Å; K404-D423 WeakPolarHBondContact CE-OD1 3.44Å; K404-D423 IonicContact NZ-OD1 2.61Å; K404-D423 PolarHBondContact NZ-OD1 3.36Å; R407-D423 PolarHBondContact NH2-O 2.9Å |
| 424 | E | 68.2 | Low | 79.7 | Confident | 165 Ų | 165 | 76.7 Ų | 76.7 | 77% | 0.771 | 44% | 0.443 | S | S | * | . | S | Bend | trans | -117.5 | -20 | -171.2 | -66.6 | -175.2 | 168.7 | 0 | 0 | 114.2 | R407 N422 | R407-E424 PolarHBondContact NH1-O 2.02Å; N422-E424 PolarHBondContact O-N 2.85Å; N422-E424 PolarHBondContact OD1-N 3.04Å |
| 425 | A | 69.2 | Low | 79.5 | Confident | 46 Ų | 46 | 74.3 Ų | 74.3 | 38% | 0.38 | 44% | 0.442 | S | S | . | . | trans | -156.6 | 169.4 | -171.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | S421 N422 | S421-A425 CarbonylContact C-O 3.57Å; S421-A425 VanDerWaalsContact CA-O 3.32Å; S421-A425 WeakPolarHBondContact CA-O 3.36Å; N422-A425 PolarHBondContact N-O 2.7Å; N422-A425 WeakPolarHBondContact OD1-CA 2.99Å; N422-A425 PolarHBondContact OD1-N 2.74Å; N422-A425 PolarHBondContact OD1-O 2.99Å | ||
| 426 | Y | 79.4 | Confident | 79.5 | Confident | 72 Ų | 72 | 71.2 Ų | 71.2 | 28% | 0.282 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 155.3 | 166.2 | 63.6 | -95.5 | 0 | 0 | 0 | 109.1 | I411 T420 F437 Y438 | I411-Y426 HydrophobicContact CD1-CD1 3.24Å; I411-Y426 HydrophobicContact CD1-CD2 3.11Å; I411-Y426 HydrophobicContact CD1-CE1 3.46Å; I411-Y426 VanDerWaalsContact CD1-CE1 3.46Å; I411-Y426 HydrophobicContact CD1-CE2 3.34Å; I411-Y426 HydrophobicContact CD1-CG 3.04Å; I411-Y426 VanDerWaalsContact CD1-CZ 3.49Å; I411-Y426 HydrophobicContact CG1-CD2 4.45Å; I411-Y426 HydrophobicContact CG2-CD2 4.21Å; I411-Y426 HydrophobicContact CG2-CE2 4.34Å; T420-Y426 CarbonylContact O-C 3.4Å; T420-Y426 WeakPolarHBondContact O-CA 3.06Å; Y426-F437 HydrophobicContact CD2-CE1 4.41Å; Y426-F437 HydrophobicContact CE2-CD1 4.48Å; Y426-F437 AromaticContact CE2-CE1 3.44Å; Y426-F437 HydrophobicContact CE2-CE1 3.44Å; Y426-F437 VanDerWaalsContact CE2-CE1 3.44Å; Y426-F437 AromaticContact CE2-CZ 3.85Å; Y426-F437 HydrophobicContact CE2-CZ 3.85Å; Y426-F437 AromaticContact CZ-CE1 3.91Å; Y426-Y438 HydrophobicContact CE2-CE1 4.01Å; Y426-Y438 PolarHBondContact OH-OH 3.47Å; Y426-Y438 VanDerWaalsContact OH-OH 3.09Å |
| 427 | S | 82.4 | Confident | 79.7 | Confident | 59 Ų | 59 | 73.4 Ų | 73.4 | 41% | 0.413 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 135 | 177.3 | -176.6 | 0 | 0 | 0 | 0 | 110.1 | T420 | T420-S427 PolarHBondContact N-O 2.78Å; T420-S427 PolarHBondContact O-N 3.21Å; T420-S427 PolarHBondContact OG1-O 3.23Å; T420-S427 VanDerWaalsContact OG1-O 3.12Å |
| 428 | C | 85.5 | Confident | 79.6 | Confident | 11 Ų | 11 | 76.9 Ų | 76.9 | 7% | 0.074 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 120.8 | 172.3 | -71.8 | 0 | 0 | 0 | 0 | 110.3 | C413 C430 F437 | C413-C428 VanDerWaalsContact CA-SG 3.59Å; C413-C428 HydrophobicContact CB-CB 3.72Å; C413-C428 WeakPolarHBondContact CB-SG 3.16Å; C413-C428 VanDerWaalsContact SG-CA 3.54Å; C413-C428 WeakPolarHBondContact SG-CB 3.28Å; C413-C428 CovalentContact SG-SG 2.02Å; C413-C428 PolarHBondContact SG-SG 3.33Å; C428-C430 PolarHBondContact O-N 3.33Å; C428-F437 WeakPolarHBondContact CB-O 3.48Å |
| 429 | N | 87.1 | Confident | 79.4 | Confident | 85 Ų | 85 | 73.3 Ų | 73.3 | 46% | 0.455 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 113.6 | 173.2 | -65.8 | -58 | 0 | 0 | 0 | 110 | G417 S418 T420 | G417-N429 WeakPolarHBondContact CA-O 3.35Å; S418-N429 PolarHBondContact N-O 2.06Å; S418-N429 PolarHBondContact O-N 2.88Å; T420-N429 WeakPolarHBondContact CG2-ND2 3.28Å; T420-N429 PolarHBondContact OG1-ND2 2.76Å |
| 430 | C | 85.4 | Confident | 79.3 | Confident | 48 Ų | 48 | 76.1 Ų | 76.1 | 32% | 0.324 | 41% | 0.413 | S | S | . | . | P | Polyproline II helix | trans | -91.4 | 132 | -174.3 | -53.9 | 0 | 0 | 0 | 0 | 112.8 | C428 T434 G436 C439 | C428-C430 PolarHBondContact O-N 3.33Å; C430-T434 WeakPolarHBondContact CB-OG1 3.29Å; C430-G436 PolarHBondContact SG-O 3.28Å; C430-C439 WeakPolarHBondContact CA-SG 3.45Å; C430-C439 HydrophobicContact CB-CB 3.73Å; C430-C439 WeakPolarHBondContact CB-SG 3.01Å; C430-C439 WeakPolarHBondContact SG-CA 3.3Å; C430-C439 WeakPolarHBondContact SG-CB 3.01Å; C430-C439 CovalentContact SG-SG 2.03Å; C430-C439 PolarHBondContact SG-SG 3.16Å |
| 431 | P | 83.1 | Confident | 79 | Confident | 56 Ų | 56 | 77.4 Ų | 77.4 | 36% | 0.364 | 42% | 0.416 | S | S | . | . | P | Polyproline II helix | trans | -64.8 | 154.4 | 173 | 23.7 | -30.4 | 0 | 0 | 0 | 112 | N415 G433 T434 | N415-P431 VanDerWaalsContact O-CG 3.29Å; N415-P431 WeakPolarHBondContact O-CG 3.36Å; P431-G433 PolarHBondContact O-N 2.79Å; P431-T434 VanDerWaalsContact CD-OG1 3.28Å; P431-T434 WeakPolarHBondContact CD-OG1 3.23Å; P431-T434 HydrophobicContact CG-CG2 4.4Å; P431-T434 PolarHBondContact O-N 3.09Å; P431-T434 PolarHBondContact O-OG1 2.74Å |
| 432 | K | 81.8 | Confident | 78.7 | Confident | 220 Ų | 220 | 78 Ų | 78 | 96% | 0.957 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | 131.6 | -179.4 | -80.6 | -172.3 | 176.1 | -178.4 | 0 | 111.5 | ||
| 433 | G | 75.5 | Confident | 78.1 | Confident | 46 Ų | 46 | 80 Ų | 80 | 47% | 0.474 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90 | 2.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114 | P431 S442 D443 | P431-G433 PolarHBondContact O-N 2.79Å; G433-S442 WeakPolarHBondContact O-CA 3.25Å; G433-D443 PolarHBondContact O-N 3.49Å |
| 434 | T | 81.7 | Confident | 77.7 | Confident | 30 Ų | 30 | 82.2 Ų | 82.2 | 18% | 0.184 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 147.1 | 169.7 | 64.8 | 0 | 0 | 0 | 0 | 111 | N415 C430 P431 I441 | N415-T434 HydrophobicContact CB-CG2 3.67Å; C430-T434 WeakPolarHBondContact CB-OG1 3.29Å; P431-T434 VanDerWaalsContact CD-OG1 3.28Å; P431-T434 WeakPolarHBondContact CD-OG1 3.23Å; P431-T434 HydrophobicContact CG-CG2 4.4Å; P431-T434 PolarHBondContact O-N 3.09Å; P431-T434 PolarHBondContact O-OG1 2.74Å; T434-I441 CarbonylContact C-O 3.49Å; T434-I441 WeakPolarHBondContact CA-O 3.43Å; T434-I441 VanDerWaalsContact CB-O 3.3Å; T434-I441 WeakPolarHBondContact CB-O 3.28Å |
| 435 | D | 79.1 | Confident | 76.7 | Confident | 110 Ų | 110 | 78 Ų | 78 | 59% | 0.588 | 44% | 0.444 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 173.6 | -179.1 | -162.1 | 4.1 | 0 | 0 | 0 | 109.9 | C439 E440 I441 | D435-C439 CarbonylContact O-C 3.21Å; D435-C439 WeakPolarHBondContact O-CA 3.06Å; D435-E440 PolarHBondContact O-N 3.25Å; D435-E440 VanDerWaalsContact O-N 3.15Å; D435-I441 HydrophobicContact CB-CB 4.19Å; D435-I441 HydrophobicContact CB-CD1 4.48Å; D435-I441 PolarHBondContact N-O 3.12Å; D435-I441 WeakPolarHBondContact O-CA 3.36Å; D435-I441 VanDerWaalsContact O-CB 3.25Å; D435-I441 WeakPolarHBondContact O-CB 3.43Å; D435-I441 WeakPolarHBondContact O-CG1 3.47Å; D435-I441 PolarHBondContact O-N 3.3Å |
| 436 | G | 80 | Confident | 75.2 | Confident | 17 Ų | 17 | 83.5 Ų | 83.5 | 18% | 0.175 | 47% | 0.465 | C | S | . | . | S | Bend | trans | 103.7 | 160 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | C430 Y438 C439 E440 | C430-G436 PolarHBondContact SG-O 3.28Å; G436-Y438 PolarHBondContact O-N 3.27Å; G436-C439 PolarHBondContact O-N 3.17Å; G436-E440 WeakPolarHBondContact CA-OE1 3.34Å |
| 437 | F | 83.2 | Confident | 73.1 | Confident | 116 Ų | 116 | 85.8 Ų | 85.8 | 51% | 0.509 | 49% | 0.487 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -25.4 | -172.7 | -171.4 | -101.2 | 0 | 0 | 0 | 112.8 | Y426 C428 E440 | Y426-F437 HydrophobicContact CD2-CE1 4.41Å; Y426-F437 HydrophobicContact CE2-CD1 4.48Å; Y426-F437 AromaticContact CE2-CE1 3.44Å; Y426-F437 HydrophobicContact CE2-CE1 3.44Å; Y426-F437 VanDerWaalsContact CE2-CE1 3.44Å; Y426-F437 AromaticContact CE2-CZ 3.85Å; Y426-F437 HydrophobicContact CE2-CZ 3.85Å; Y426-F437 AromaticContact CZ-CE1 3.91Å; C428-F437 WeakPolarHBondContact CB-O 3.48Å; F437-E440 PolarHBondContact N-OE1 3.42Å; F437-E440 PolarHBondContact N-OE2 3.49Å |
| 438 | Y | 83.9 | Confident | 71 | Confident | 89 Ų | 89 | 88.7 Ų | 88.7 | 35% | 0.349 | 50% | 0.501 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.9 | 23.3 | 171.9 | -55.8 | -79.4 | 0 | 0 | 0 | 111.3 | I411 R414 Y426 G436 E440 | I411-Y438 HydrophobicContact CG2-CD1 4.15Å; I411-Y438 HydrophobicContact CG2-CE1 3.98Å; R414-Y438 WeakPolarHBondContact CB-O 3.45Å; R414-Y438 PolarHBondContact N-O 3.13Å; Y426-Y438 HydrophobicContact CE2-CE1 4.01Å; Y426-Y438 PolarHBondContact OH-OH 3.47Å; Y426-Y438 VanDerWaalsContact OH-OH 3.09Å; G436-Y438 PolarHBondContact O-N 3.27Å; Y438-E440 VanDerWaalsContact C-N 3.26Å; Y438-E440 VanDerWaalsContact CA-OE2 3.28Å; Y438-E440 WeakPolarHBondContact CA-OE2 3.22Å; Y438-E440 PolarHBondContact N-OE2 3.32Å; Y438-E440 PolarHBondContact O-N 2.92Å |
| 439 | C | 83 | Confident | 68.7 | Low | 0 Ų | 0 | 95.3 Ų | 95.3 | 0% | 0 | 53% | 0.531 | C | S | . | . | S | Bend | trans | 58.3 | 32.5 | -177.2 | -45.2 | 0 | 0 | 0 | 0 | 114.2 | R414 N415 C430 D435 G436 I441 | R414-C439 VanDerWaalsContact O-CB 3.28Å; R414-C439 WeakPolarHBondContact O-CB 3.32Å; N415-C439 WeakPolarHBondContact CB-O 3.41Å; N415-C439 PolarHBondContact ND2-O 3.05Å; C430-C439 WeakPolarHBondContact CA-SG 3.45Å; C430-C439 HydrophobicContact CB-CB 3.73Å; C430-C439 WeakPolarHBondContact CB-SG 3.01Å; C430-C439 WeakPolarHBondContact SG-CA 3.3Å; C430-C439 WeakPolarHBondContact SG-CB 3.01Å; C430-C439 CovalentContact SG-SG 2.03Å; C430-C439 PolarHBondContact SG-SG 3.16Å; D435-C439 CarbonylContact O-C 3.21Å; D435-C439 WeakPolarHBondContact O-CA 3.06Å; G436-C439 PolarHBondContact O-N 3.17Å; C439-I441 PolarHBondContact O-N 3.07Å |
| 440 | E | 84.7 | Confident | 66.3 | Low | 92 Ų | 92 | 98.7 Ų | 98.7 | 43% | 0.43 | 55% | 0.548 | S | S | . | . | trans | -75.6 | -15 | -173.6 | 64.9 | -82.3 | -172.7 | 0 | 0 | 115.4 | D435 G436 F437 Y438 | D435-E440 PolarHBondContact O-N 3.25Å; D435-E440 VanDerWaalsContact O-N 3.15Å; G436-E440 WeakPolarHBondContact CA-OE1 3.34Å; F437-E440 PolarHBondContact N-OE1 3.42Å; F437-E440 PolarHBondContact N-OE2 3.49Å; Y438-E440 VanDerWaalsContact C-N 3.26Å; Y438-E440 VanDerWaalsContact CA-OE2 3.28Å; Y438-E440 WeakPolarHBondContact CA-OE2 3.22Å; Y438-E440 PolarHBondContact N-OE2 3.32Å; Y438-E440 PolarHBondContact O-N 2.92Å | ||
| 441 | I | 77.4 | Confident | 64.4 | Low | 93 Ų | 93 | 103 Ų | 103 | 48% | 0.477 | 56% | 0.563 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -99.4 | 138.2 | -176.6 | -49 | 176.3 | 0 | 0 | 0 | 109.4 | T434 D435 C439 | T434-I441 CarbonylContact C-O 3.49Å; T434-I441 WeakPolarHBondContact CA-O 3.43Å; T434-I441 VanDerWaalsContact CB-O 3.3Å; T434-I441 WeakPolarHBondContact CB-O 3.28Å; D435-I441 HydrophobicContact CB-CB 4.19Å; D435-I441 HydrophobicContact CB-CD1 4.48Å; D435-I441 PolarHBondContact N-O 3.12Å; D435-I441 WeakPolarHBondContact O-CA 3.36Å; D435-I441 VanDerWaalsContact O-CB 3.25Å; D435-I441 WeakPolarHBondContact O-CB 3.43Å; D435-I441 WeakPolarHBondContact O-CG1 3.47Å; D435-I441 PolarHBondContact O-N 3.3Å; C439-I441 PolarHBondContact O-N 3.07Å |
| 442 | S | 67.9 | Low | 62.6 | Low | 69 Ų | 69 | 109 Ų | 109 | 48% | 0.483 | 58% | 0.578 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -132.2 | 133.2 | 175.6 | 65 | 0 | 0 | 0 | 0 | 111.5 | G433 N444 | G433-S442 WeakPolarHBondContact O-CA 3.25Å; S442-N444 PolarHBondContact O-N 2.77Å |
| 443 | D | 57.3 | Low | 61.1 | Low | 144 Ų | 144 | 106.1 Ų | 106.1 | 77% | 0.77 | 57% | 0.566 | S | S | * | * | S | Bend | trans | -77.4 | 37.5 | -165.4 | -142.4 | 8.3 | 0 | 0 | 0 | 116.2 | G433 | G433-D443 PolarHBondContact O-N 3.49Š|
| 444 | N | 56.5 | Low | 60 | Low | 159 Ų | 159 | 109.7 Ų | 109.7 | 85% | 0.85 | 57% | 0.573 | S | S | * | * | trans | -113.5 | 78.9 | 174.1 | -73.8 | -26.5 | 0 | 0 | 0 | 110.4 | S442 | S442-N444 PolarHBondContact O-N 2.77Š| ||
| 445 | G | 46.4 | Very low | 58.7 | Low | 76 Ų | 76 | 114.1 Ų | 114.1 | 78% | 0.784 | 60% | 0.595 | S | S | * | * | trans | 161.3 | 86.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 446 | I | 38.6 | Very low | 57.5 | Low | 162 Ų | 162 | 113.5 Ų | 113.5 | 83% | 0.831 | 59% | 0.591 | S | S | * | * | trans | -62.8 | 129.1 | 169.6 | -72.6 | 172.7 | 0 | 0 | 0 | 111 | ||||
| 447 | V | 34.4 | Very low | 56.3 | Low | 120 Ų | 120 | 120.6 Ų | 120.6 | 73% | 0.727 | 62% | 0.618 | S | S | * | * | trans | 63.1 | 110.3 | 152 | -179.3 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 448 | V | 38.5 | Very low | 55 | Low | 120 Ų | 120 | 117.6 Ų | 117.6 | 73% | 0.727 | 61% | 0.614 | S | S | * | * | -173.9 | 147.7 | 104.9 | -150.4 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 449 | Q | 36.6 | Very low | 53.9 | Low | 150 Ų | 150 | 116.3 Ų | 116.3 | 70% | 0.701 | 62% | 0.618 | S | S | * | * | trans | 89 | 71.1 | 155.3 | -56 | -65.7 | -36.3 | 0 | 0 | 119.2 | ||||
| 450 | I | 36.8 | Very low | 52.7 | Low | 155 Ų | 155 | 122.1 Ų | 122.1 | 80% | 0.795 | 65% | 0.648 | S | S | * | * | trans | -54.4 | 141.7 | 132.6 | -63.2 | 164.6 | 0 | 0 | 0 | 107.5 | ||||
| 451 | E | 45.3 | Very low | 51.4 | Low | 140 Ų | 140 | 124.8 Ų | 124.8 | 65% | 0.654 | 66% | 0.659 | S | S | * | * | trans | 118.5 | 40.1 | 172.8 | -58 | -137.5 | 156.2 | 0 | 0 | 119.6 | ||||
| 452 | W | 45.3 | Very low | 50.6 | Low | 180 Ų | 180 | 125.6 Ų | 125.6 | 68% | 0.682 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -124.5 | -22.7 | 158.8 | 65.5 | -58.8 | 0 | 0 | 0 | 114.2 | I454 L455 | W452-I454 PolarHBondContact O-N 2.7Å; W452-L455 PolarHBondContact O-N 2.03Å |
| 453 | K | 50.5 | Low | 50.2 | Low | 161 Ų | 161 | 124.7 Ų | 124.7 | 70% | 0.7 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -68.8 | -14.2 | 174.1 | -71.3 | -173.2 | 174.4 | -176.5 | 0 | 114 | F457 | K453-F457 WeakPolarHBondContact O-CD2 3.46Å |
| 454 | I | 53.9 | Low | 50 | Low | 120 Ų | 120 | 126.5 Ų | 126.5 | 62% | 0.615 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -87.7 | -23.6 | 174.7 | -62.4 | 174.8 | 0 | 0 | 0 | 111.7 | W452 A458 | W452-I454 PolarHBondContact O-N 2.7Å; I454-A458 PolarHBondContact O-N 2.95Å |
| 455 | L | 53.7 | Low | 49.9 | Very low | 123 Ų | 123 | 125 Ų | 125 | 64% | 0.644 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -82.4 | -21.9 | 178.8 | -72.4 | 163.6 | 0 | 0 | 0 | 113.6 | W452 S459 | W452-L455 PolarHBondContact O-N 2.03Å; L455-S459 PolarHBondContact O-N 3.05Å; L455-S459 PolarHBondContact O-OG 3.15Å |
| 456 | L | 54.2 | Low | 50.4 | Low | 98 Ų | 98 | 128.9 Ų | 128.9 | 51% | 0.513 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -77.9 | -31.3 | 173.6 | -79.1 | 165.9 | 0 | 0 | 0 | 113.1 | S459 L460 | L456-S459 WeakPolarHBondContact CA-OG 3.48Å; L456-S459 PolarHBondContact O-OG 3.32Å; L456-S459 VanDerWaalsContact O-OG 3.13Å; L456-L460 PolarHBondContact O-N 2.86Å |
| 457 | F | 53.5 | Low | 51 | Low | 166 Ų | 166 | 128.2 Ų | 128.2 | 73% | 0.728 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -74.7 | -29.2 | 174 | -85 | -87.7 | 0 | 0 | 0 | 112.6 | K453 F461 | K453-F457 WeakPolarHBondContact O-CD2 3.46Å; F457-F461 WeakPolarHBondContact O-CB 3.36Å; F457-F461 PolarHBondContact O-N 3.49Å |
| 458 | A | 57.2 | Low | 51.9 | Low | 52 Ų | 52 | 127.6 Ų | 127.6 | 43% | 0.43 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -73.1 | -30.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | I454 L462 | I454-A458 PolarHBondContact O-N 2.95Å; A458-L462 WeakPolarHBondContact O-CG 3.42Å; A458-L462 PolarHBondContact O-N 3.47Å |
| 459 | S | 60.7 | Low | 52.6 | Low | 62 Ų | 62 | 126.6 Ų | 126.6 | 43% | 0.434 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -79.6 | -34.1 | 178.5 | 39.4 | 0 | 0 | 0 | 0 | 113 | L455 L456 A463 | L455-S459 PolarHBondContact O-N 3.05Å; L455-S459 PolarHBondContact O-OG 3.15Å; L456-S459 WeakPolarHBondContact CA-OG 3.48Å; L456-S459 PolarHBondContact O-OG 3.32Å; L456-S459 VanDerWaalsContact O-OG 3.13Å; S459-A463 PolarHBondContact O-N 2.8Å; S459-A463 VanDerWaalsContact O-N 3.16Å |
| 460 | L | 57.9 | Low | 53 | Low | 122 Ų | 122 | 128.1 Ų | 128.1 | 64% | 0.639 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -71.2 | -31.6 | 172.7 | -87.8 | 153.2 | 0 | 0 | 0 | 113.1 | L456 A463 W464 | L456-L460 PolarHBondContact O-N 2.86Å; L460-A463 PolarHBondContact O-N 3.42Å; L460-W464 PolarHBondContact O-N 3.22Å |
| 461 | F | 57.7 | Low | 53.2 | Low | 149 Ų | 149 | 123.6 Ų | 123.6 | 65% | 0.654 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -73.1 | -33.2 | 176.8 | -140.6 | -97.6 | 0 | 0 | 0 | 112.6 | F457 Q465 | F457-F461 WeakPolarHBondContact O-CB 3.36Å; F457-F461 PolarHBondContact O-N 3.49Å; F461-Q465 PolarHBondContact O-N 3.26Å |
| 462 | L | 60.1 | Low | 52.7 | Low | 110 Ų | 110 | 126.6 Ų | 126.6 | 58% | 0.576 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -72.8 | -33.2 | 172.6 | -72.6 | 168.5 | 0 | 0 | 0 | 112.5 | A458 W464 Q465 Q466 | A458-L462 WeakPolarHBondContact O-CG 3.42Å; A458-L462 PolarHBondContact O-N 3.47Å; L462-W464 VanDerWaalsContact C-N 3.34Å; L462-Q465 PolarHBondContact O-N 3.26Å; L462-Q466 PolarHBondContact O-N 3.5Å |
| 463 | A | 58.5 | Low | 52.3 | Low | 49 Ų | 49 | 121.7 Ų | 121.7 | 41% | 0.405 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -67.6 | -31.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | S459 L460 L467 | S459-A463 PolarHBondContact O-N 2.8Å; S459-A463 VanDerWaalsContact O-N 3.16Å; L460-A463 PolarHBondContact O-N 3.42Å; A463-L467 PolarHBondContact O-N 3.38Å |
| 464 | W | 53.5 | Low | 51.4 | Low | 183 Ų | 183 | 126 Ų | 126 | 69% | 0.693 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -75.6 | -31.2 | 176.1 | -152.2 | 69.8 | 0 | 0 | 0 | 112.7 | L460 L462 V468 | L460-W464 PolarHBondContact O-N 3.22Å; L462-W464 VanDerWaalsContact C-N 3.34Å; W464-V468 WeakPolarHBondContact O-CG2 3.45Å |
| 465 | Q | 55.1 | Low | 50.6 | Low | 128 Ų | 128 | 128.1 Ų | 128.1 | 60% | 0.598 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -72.7 | -28.1 | 173.1 | -76.9 | -157.7 | -63.1 | 0 | 0 | 113.9 | F461 L462 | F461-Q465 PolarHBondContact O-N 3.26Å; L462-Q465 PolarHBondContact O-N 3.26Å |
| 466 | Q | 56.7 | Low | 49.8 | Very low | 157 Ų | 157 | 129.4 Ų | 129.4 | 73% | 0.734 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -76.3 | -27.6 | 176.4 | -76.4 | -172.3 | -59.1 | 0 | 0 | 113.7 | L462 | L462-Q466 PolarHBondContact O-N 3.5Å |
| 467 | L | 50.3 | Low | 49 | Very low | 148 Ų | 148 | 133.3 Ų | 133.3 | 78% | 0.775 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -80.7 | -17.9 | 177.1 | -85.7 | 158.1 | 0 | 0 | 0 | 113.8 | A463 | A463-L467 PolarHBondContact O-N 3.38Å |
| 468 | V | 54.4 | Low | 48.4 | Very low | 106 Ų | 106 | 130.8 Ų | 130.8 | 64% | 0.642 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -93.1 | -9.1 | -179.8 | 177.7 | 0 | 0 | 0 | 0 | 112.6 | W464 | W464-V468 WeakPolarHBondContact O-CG2 3.45Š|
| 469 | S | 53.3 | Low | 47.7 | Very low | 99 Ų | 99 | 133.9 Ų | 133.9 | 69% | 0.692 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -104.5 | 5.2 | -172.4 | -167.2 | 0 | 0 | 0 | 0 | 116.5 | ||
| 470 | Q | 45 | Very low | 46.2 | Very low | 182 Ų | 182 | 139.5 Ų | 139.5 | 85% | 0.85 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -123.6 | 85.4 | 165.2 | -68 | -162.3 | -6.5 | 0 | 0 | 107.4 | ||
| 471 | G | 40.3 | Very low | 45.3 | Very low | 60 Ų | 60 | 139.3 Ų | 139.3 | 62% | 0.619 | 74% | 0.735 | S | S | * | * | 92.6 | 76.8 | 74.6 | 0 | 0 | 0 | 0 | 0 | 107.3 | |||||
| 472 | Q | 35.6 | Very low | 43.9 | Very low | 204 Ų | 204 | 137.5 Ų | 137.5 | 95% | 0.953 | 74% | 0.741 | S | S | * | * | 54.3 | 110 | 101.2 | -79.6 | 178.3 | -32.1 | 0 | 0 | 113 | |||||
| 473 | G | 35.8 | Very low | 42.8 | Very low | 76 Ų | 76 | 137.5 Ų | 137.5 | 78% | 0.784 | 75% | 0.745 | S | S | * | * | trans | 170.8 | 74.9 | 166.3 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 474 | R | 32.8 | Very low | 41.6 | Very low | 251 Ų | 251 | 147 Ų | 147 | 95% | 0.947 | 77% | 0.77 | S | S | * | * | trans | 95.5 | 123.3 | 132.9 | -145.6 | 169 | -165.7 | 167.5 | 3.1 | 119.8 | ||||
| 475 | Q | 36 | Very low | 40.6 | Very low | 165 Ų | 165 | 145.5 Ų | 145.5 | 77% | 0.771 | 78% | 0.775 | S | S | * | * | trans | -66.6 | 145.8 | 170.9 | -63 | 160.7 | -40.5 | 0 | 0 | 112.3 | ||||
| 476 | D | 37.9 | Very low | 39.6 | Very low | 151 Ų | 151 | 145.8 Ų | 145.8 | 81% | 0.807 | 78% | 0.781 | S | S | * | * | 171.8 | 141.2 | 107.9 | -87.2 | -34.6 | 0 | 0 | 0 | 111.8 | |||||
| 477 | H | 36.4 | Very low | 38.4 | Very low | 179 Ų | 179 | 144.4 Ų | 144.4 | 83% | 0.829 | 79% | 0.785 | S | S | * | * | trans | -52.1 | 169.4 | 174.7 | -75.7 | -79.1 | 0 | 0 | 0 | 113.7 | ||||
| 478 | P | 40.8 | Very low | 37.7 | Very low | 114 Ų | 114 | 145.4 Ų | 145.4 | 74% | 0.74 | 79% | 0.786 | S | S | * | * | cis | -152.5 | -161.6 | 34.8 | 35.7 | -8.9 | 0 | 0 | 0 | 116.5 | ||||
| 479 | V | 42.2 | Very low | 36.9 | Very low | 117 Ų | 117 | 147.8 Ų | 147.8 | 71% | 0.709 | 79% | 0.794 | S | S | * | * | trans | 104.3 | 97.8 | 156.9 | -163.2 | 0 | 0 | 0 | 0 | 116.3 | V481 | V479-V481 HydrophobicContact CG1-CG2 3.97Å; V479-V481 PolarHBondContact O-N 3.03Å | ||
| 480 | L | 30.2 | Very low | 36 | Very low | 180 Ų | 180 | 150.2 Ų | 150.2 | 94% | 0.942 | 80% | 0.798 | S | S | * | * | trans | -65.9 | 111.6 | 157.9 | -98.5 | 95.5 | 0 | 0 | 0 | 109.3 | ||||
| 481 | V | 38 | Very low | 35.5 | Very low | 117 Ų | 117 | 149.3 Ų | 149.3 | 71% | 0.709 | 80% | 0.798 | S | S | * | * | trans | -123 | 116.2 | 154.4 | 173.9 | 0 | 0 | 0 | 0 | 107.4 | V479 V483 | V479-V481 HydrophobicContact CG1-CG2 3.97Å; V479-V481 PolarHBondContact O-N 3.03Å; V481-V483 HydrophobicContact CG1-CG2 4.23Å; V481-V483 PolarHBondContact O-N 3.33Å | ||
| 482 | S | 29.4 | Very low | 35.2 | Very low | 112 Ų | 112 | 151.5 Ų | 151.5 | 78% | 0.783 | 80% | 0.803 | S | S | * | * | trans | -72.4 | 110.3 | 174.1 | 155.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 483 | V | 36.9 | Very low | 35.1 | Very low | 109 Ų | 109 | 150.1 Ų | 150.1 | 66% | 0.661 | 80% | 0.797 | S | S | * | * | trans | -131.5 | 95.8 | 158.1 | -177.5 | 0 | 0 | 0 | 0 | 106.8 | V481 L485 | V481-V483 HydrophobicContact CG1-CG2 4.23Å; V481-V483 PolarHBondContact O-N 3.33Å; V483-L485 HydrophobicContact CG1-CD1 3.93Å; V483-L485 HydrophobicContact CG1-CG 4.22Å; V483-L485 PolarHBondContact O-N 2.98Å | ||
| 484 | R | 32.2 | Very low | 35 | Very low | 249 Ų | 249 | 154.8 Ų | 154.8 | 94% | 0.94 | 80% | 0.803 | S | S | * | * | trans | -79.3 | 92.5 | 171.5 | -84.8 | -170.9 | -179.5 | -174.3 | 1.5 | 108.8 | ||||
| 485 | L | 33.7 | Very low | 35.1 | Very low | 151 Ų | 151 | 154.6 Ų | 154.6 | 79% | 0.791 | 80% | 0.802 | S | S | * | * | trans | -96.7 | 111 | 160.5 | -86.5 | 155.7 | 0 | 0 | 0 | 108.8 | V483 | V483-L485 HydrophobicContact CG1-CD1 3.93Å; V483-L485 HydrophobicContact CG1-CG 4.22Å; V483-L485 PolarHBondContact O-N 2.98Å | ||
| 486 | N | 33.6 | Very low | 35.6 | Very low | 134 Ų | 134 | 152.3 Ų | 152.3 | 72% | 0.717 | 80% | 0.799 | S | S | * | * | trans | 48.7 | 97.1 | 139.2 | -147.2 | 6 | 0 | 0 | 0 | 119.1 | ||||
| 487 | P | 32.4 | Very low | 36 | Very low | 128 Ų | 128 | 150.6 Ų | 150.6 | 83% | 0.831 | 80% | 0.796 | S | S | * | * | trans | -98.7 | 91.8 | 164.2 | 34.9 | -22.1 | 0 | 0 | 0 | 109.5 | ||||
| 488 | Q | 34.6 | Very low | 36.2 | Very low | 170 Ų | 170 | 151.5 Ų | 151.5 | 79% | 0.794 | 80% | 0.798 | S | S | * | * | trans | -124.6 | 109.3 | 149.8 | -77.3 | -149.3 | -0.7 | 0 | 0 | 106.7 | ||||
| 489 | I | 37.7 | Very low | 36.5 | Very low | 156 Ų | 156 | 151.8 Ų | 151.8 | 80% | 0.8 | 80% | 0.8 | S | S | * | * | S | Bend | trans | 174 | 109 | 140.5 | -85 | 151.5 | 0 | 0 | 0 | 106.9 | ||
| 490 | L | 34.3 | Very low | 36.5 | Very low | 150 Ų | 150 | 153.3 Ų | 153.3 | 79% | 0.785 | 84% | 0.839 | S | S | * | * | trans | 45.3 | 106 | 147.1 | -84.4 | 84.5 | 0 | 0 | 0 | 118.7 | ||||
| 491 | I | 35.7 | Very low | 36.8 | Very low | 163 Ų | 163 | 152 Ų | 152 | 84% | 0.836 | 83% | 0.834 | S | S | * | * | 175.6 | 105.7 | 103.8 | -81.7 | 150.6 | 0 | 0 | 0 | 106 | |||||
| 492 | S | 32.7 | Very low | 36.7 | Very low | 106 Ų | 106 | 153.8 Ų | 153.8 | 74% | 0.741 | 84% | 0.841 | S | S | * | * | trans | -121.4 | 102.4 | 171.6 | -42.9 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 493 | Q | 34.9 | Very low | 37.1 | Very low | 174 Ų | 174 | 156.2 Ų | 156.2 | 81% | 0.813 | 84% | 0.844 | S | S | * | * | trans | -167.1 | 100.8 | 153.8 | -77.7 | -43.5 | -34.8 | 0 | 0 | 107.2 | ||||
| 494 | L | 32.3 | Very low | 37.2 | Very low | 174 Ų | 174 | 158.9 Ų | 158.9 | 91% | 0.911 | 86% | 0.855 | S | S | * | * | trans | -175.1 | 72.3 | 155 | -100 | 155.6 | 0 | 0 | 0 | 106 | ||||
| 495 | R | 35.8 | Very low | 37.5 | Very low | 248 Ų | 248 | 153.3 Ų | 153.3 | 94% | 0.936 | 85% | 0.85 | S | S | * | * | trans | -104.2 | 112.7 | 158.4 | -119.6 | -176.1 | -166.3 | 176.1 | 4 | 107.4 | ||||
| 496 | V | 45.1 | Very low | 37.7 | Very low | 117 Ų | 117 | 153.5 Ų | 153.5 | 71% | 0.709 | 85% | 0.853 | S | S | * | * | P | Polyproline II helix | trans | -55 | 136.2 | 172.7 | -168.3 | 0 | 0 | 0 | 0 | 110.4 | ||
| 497 | P | 47.3 | Very low | 38 | Very low | 114 Ų | 114 | 154.9 Ų | 154.9 | 74% | 0.74 | 86% | 0.863 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 126.6 | 164.3 | 32.2 | -26.2 | 0 | 0 | 0 | 109.2 | ||
| 498 | F | 40.3 | Very low | 38.4 | Very low | 199 Ų | 199 | 156.9 Ų | 156.9 | 87% | 0.873 | 87% | 0.866 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 130.8 | 158.9 | -102.6 | -90.4 | 0 | 0 | 0 | 108.5 | ||
| 499 | P | 47.2 | Very low | 38.8 | Very low | 120 Ų | 120 | 155.8 Ų | 155.8 | 78% | 0.779 | 87% | 0.872 | S | S | * | * | P | Polyproline II helix | trans | -98.2 | 135.1 | 156.8 | 33.6 | -23.4 | 0 | 0 | 0 | 109.8 | ||
| 500 | G | 42 | Very low | 38.9 | Very low | 149 Ų | 149 | 155.8 Ų | 155.8 | 100% | 1.536 | 88% | 0.878 | S | S | * | * | trans | 107.8 | 0 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114.7 |
Retrieved 500 of 500 residues in 321.9 ms
(Link to these results)