| 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 | 30.5 | Very low | 27.3 | Very low | 255 Ų | 255 | 172.5 Ų | 172.5 | 100% | 1.256 | 85% | 0.847 | S | S | * | * | 0 | -175.6 | 0 | -69 | 175.6 | 178.3 | 0 | 0 | 109 | |||||
| 2 | R | 25 | Very low | 26.9 | Very low | 228 Ų | 228 | 175.3 Ų | 175.3 | 86% | 0.86 | 85% | 0.851 | S | S | * | * | trans | -113.1 | 134.3 | -166.7 | -79.9 | 178.7 | 168.7 | 175 | -3.5 | 114.1 | ||||
| 3 | R | 25.7 | Very low | 26.7 | Very low | 232 Ų | 232 | 169.9 Ų | 169.9 | 88% | 0.875 | 84% | 0.842 | S | S | * | * | trans | 66.6 | 169.2 | 152.1 | -65.2 | 178.7 | 168 | -174.9 | -5 | 119.1 | ||||
| 4 | I | 28.3 | Very low | 26.4 | Very low | 156 Ų | 156 | 169 Ų | 169 | 80% | 0.8 | 84% | 0.841 | S | S | * | * | trans | 78.6 | 143.7 | 166 | -48.7 | 167.7 | 0 | 0 | 0 | 114.5 | ||||
| 5 | P | 44.1 | Very low | 26.5 | Very low | 108 Ų | 108 | 160 Ų | 160 | 70% | 0.701 | 80% | 0.804 | S | S | * | * | cis | -108.6 | 163.4 | -26.1 | 30.7 | -13.2 | 0 | 0 | 0 | 111.6 | ||||
| 6 | L | 25.7 | Very low | 26.7 | Very low | 157 Ų | 157 | 156 Ų | 156 | 82% | 0.822 | 79% | 0.79 | S | S | * | * | cis | 70.5 | 110.3 | 49 | -84.2 | 165.9 | 0 | 0 | 0 | 116.2 | ||||
| 7 | F | 28.1 | Very low | 26.5 | Very low | 211 Ų | 211 | 149.5 Ų | 149.5 | 93% | 0.925 | 77% | 0.766 | S | S | * | * | trans | -164.7 | 170.6 | 134 | -104.6 | -67.8 | 0 | 0 | 0 | 110.4 | ||||
| 8 | A | 24.4 | Very low | 26.3 | Very low | 74 Ų | 74 | 152.1 Ų | 152.1 | 61% | 0.612 | 77% | 0.771 | S | S | * | * | trans | -143 | -172.8 | -164.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 9 | F | 25.2 | Very low | 26.2 | Very low | 212 Ų | 212 | 147.3 Ų | 147.3 | 93% | 0.93 | 76% | 0.763 | S | S | * | * | trans | 71.6 | 153.4 | -176 | -49.7 | -85.1 | 0 | 0 | 0 | 115.1 | ||||
| 10 | G | 22.6 | Very low | 26 | Very low | 62 Ų | 62 | 149.7 Ų | 149.7 | 64% | 0.639 | 77% | 0.77 | S | S | * | * | cis | 159.7 | 116.4 | -13.2 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 11 | F | 20.5 | Very low | 25.8 | Very low | 203 Ų | 203 | 151.1 Ų | 151.1 | 89% | 0.89 | 77% | 0.773 | S | S | * | * | trans | 55.7 | 125.7 | 162.8 | -70.8 | -90.9 | 0 | 0 | 0 | 122.3 | ||||
| 12 | F | 23.2 | Very low | 25.3 | Very low | 205 Ų | 205 | 147.2 Ų | 147.2 | 90% | 0.899 | 75% | 0.752 | S | S | * | * | 157.7 | 169.8 | 127.1 | -98 | -82.6 | 0 | 0 | 0 | 113.1 | |||||
| 13 | S | 23.7 | Very low | 25.1 | Very low | 106 Ų | 106 | 144 Ų | 144 | 74% | 0.741 | 75% | 0.751 | S | S | * | * | trans | -142.1 | 152.6 | -160.7 | -44 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 14 | L | 23.2 | Very low | 25 | Very low | 157 Ų | 157 | 141 Ų | 141 | 82% | 0.822 | 75% | 0.747 | S | S | * | * | trans | 167.2 | 142.5 | 137.2 | -94.9 | 159.2 | 0 | 0 | 0 | 117.7 | ||||
| 15 | A | 28 | Very low | 24.6 | Very low | 34 Ų | 34 | 137.8 Ų | 137.8 | 28% | 0.281 | 74% | 0.743 | S | S | . | * | trans | 81.6 | -175.5 | 142.2 | 0 | 0 | 0 | 0 | 0 | 124.4 | N240 T241 | A15-N240 CarbonylContact C-O 3.32Å; A15-N240 WeakPolarHBondContact CA-O 3.03Å; A15-N240 HydrophobicContact CB-CB 3.97Å; A15-N240 WeakPolarHBondContact CB-O 3.47Å; A15-T241 CarbonylContact O-C 3.55Å | ||
| 16 | V | 28.5 | Very low | 23.5 | Very low | 96 Ų | 96 | 137.9 Ų | 137.9 | 58% | 0.582 | 75% | 0.747 | S | S | * | * | trans | -146.1 | 157.1 | -145.7 | 172.5 | 0 | 0 | 0 | 0 | 115.1 | N240 T241 | V16-N240 PolarHBondContact N-O 3.49Å; V16-N240 VanDerWaalsContact N-O 3.15Å; V16-N240 CarbonylContact O-C 3.5Å; V16-N240 PolarHBondContact O-N 2.81Å; V16-T241 PolarHBondContact O-N 3.17Å | ||
| 17 | A | 24.6 | Very low | 23.4 | Very low | 46 Ų | 46 | 137.4 Ų | 137.4 | 38% | 0.38 | 75% | 0.751 | S | S | . | * | trans | -161.6 | 135.3 | 160.5 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 18 | K | 22.4 | Very low | 23.2 | Very low | 196 Ų | 196 | 133.7 Ų | 133.7 | 85% | 0.852 | 75% | 0.746 | S | S | * | * | trans | 39 | 155.1 | 148.7 | -59.1 | -179.6 | 177.6 | -176.4 | 0 | 122.5 | ||||
| 19 | G | 24.7 | Very low | 23.4 | Very low | 60 Ų | 60 | 137.9 Ų | 137.9 | 62% | 0.619 | 76% | 0.757 | S | S | * | * | cis | 169.1 | 132.8 | -4.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 20 | E | 21.9 | Very low | 23.4 | Very low | 196 Ų | 196 | 134.6 Ų | 134.6 | 92% | 0.916 | 75% | 0.754 | S | S | * | * | 91.9 | 117 | 91 | -76.3 | -167.8 | 135.6 | 0 | 0 | 118.7 | |||||
| 21 | Q | 22.2 | Very low | 23.5 | Very low | 179 Ų | 179 | 136.1 Ų | 136.1 | 84% | 0.836 | 76% | 0.761 | S | S | * | * | trans | 164.3 | 118.7 | 148.2 | -94.8 | 174.6 | 6.1 | 0 | 0 | 110.8 | ||||
| 22 | Q | 19.5 | Very low | 24 | Very low | 174 Ų | 174 | 134.3 Ų | 134.3 | 81% | 0.813 | 76% | 0.76 | S | S | * | * | 85.3 | 120.6 | 82.1 | -79.8 | -169.7 | -10 | 0 | 0 | 117.6 | |||||
| 23 | L | 20.9 | Very low | 24.5 | Very low | 160 Ų | 160 | 129.2 Ų | 129.2 | 84% | 0.838 | 75% | 0.746 | S | S | * | * | 159.4 | 170.3 | 123.7 | -142.3 | 66.7 | 0 | 0 | 0 | 114.9 | |||||
| 24 | H | 22.7 | Very low | 25 | Very low | 168 Ų | 168 | 132.2 Ų | 132.2 | 78% | 0.778 | 74% | 0.742 | S | S | * | * | trans | -78.7 | 161.7 | -174.2 | -61 | -107.9 | 0 | 0 | 0 | 114.1 | ||||
| 25 | A | 20.3 | Very low | 26 | Very low | 89 Ų | 89 | 128.5 Ų | 128.5 | 74% | 0.736 | 73% | 0.729 | S | S | * | * | cis | 82.1 | 138.8 | 23.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 26 | S | 21.5 | Very low | 26.8 | Very low | 111 Ų | 111 | 132.6 Ų | 132.6 | 78% | 0.776 | 75% | 0.753 | S | S | * | * | cis | -173.3 | 144.4 | -11.8 | 49.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 27 | T | 22.6 | Very low | 28 | Very low | 147 Ų | 147 | 130.1 Ų | 130.1 | 90% | 0.902 | 73% | 0.734 | S | S | * | * | trans | -148.9 | 179.8 | 175.6 | -8.8 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 28 | T | 24.8 | Very low | 29.7 | Very low | 133 Ų | 133 | 135.3 Ų | 135.3 | 82% | 0.816 | 75% | 0.748 | S | S | * | * | trans | -111.7 | 168.8 | -142.3 | -24 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 29 | L | 28.8 | Very low | 31.8 | Very low | 161 Ų | 161 | 128.4 Ų | 128.4 | 84% | 0.843 | 72% | 0.72 | S | S | * | * | trans | -88.3 | 154.8 | 179.9 | -63.5 | 74.7 | 0 | 0 | 0 | 114.7 | ||||
| 30 | T | 25 | Very low | 33.6 | Very low | 144 Ų | 144 | 127.6 Ų | 127.6 | 88% | 0.883 | 70% | 0.701 | S | S | * | * | trans | -148.4 | 115.9 | 155.8 | 53.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 31 | A | 24.7 | Very low | 35.7 | Very low | 94 Ų | 94 | 120.3 Ų | 120.3 | 78% | 0.777 | 67% | 0.672 | S | S | * | * | trans | 164.4 | 77 | 150.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 32 | N | 30.4 | Very low | 37.7 | Very low | 164 Ų | 164 | 115.7 Ų | 115.7 | 88% | 0.877 | 66% | 0.657 | S | S | * | * | trans | -162.7 | 34.9 | 159.5 | -119 | -24.9 | 0 | 0 | 0 | 113.4 | ||||
| 33 | V | 33.4 | Very low | 39.4 | Very low | 98 Ų | 98 | 112.8 Ų | 112.8 | 59% | 0.594 | 64% | 0.643 | S | S | * | * | trans | -110.4 | 74.4 | -166.8 | -169.3 | 0 | 0 | 0 | 0 | 111.1 | R37 | V33-R37 VanDerWaalsContact O-CZ 3.3Å; V33-R37 PolarHBondContact O-NE 3.37Å; V33-R37 PolarHBondContact O-NH2 3.06Å | ||
| 34 | Y | 35.9 | Very low | 41 | Very low | 170 Ų | 170 | 110.7 Ų | 110.7 | 67% | 0.667 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -133.5 | -33.9 | 169.9 | -84.9 | -76.3 | 0 | 0 | 0 | 114.7 | C36 I40 | Y34-C36 PolarHBondContact O-N 3.01Å; Y34-I40 WeakPolarHBondContact O-CD1 3.5Å |
| 35 | C | 43.7 | Very low | 42.2 | Very low | 79 Ų | 79 | 107.3 Ų | 107.3 | 53% | 0.534 | 61% | 0.614 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -62.4 | -44.2 | 178.2 | -177.3 | 0 | 0 | 0 | 0 | 112.6 | R37 | C35-R37 PolarHBondContact O-N 3.17Å; C35-R37 VanDerWaalsContact O-N 3.12Å |
| 36 | C | 45.5 | Very low | 43.7 | Very low | 119 Ų | 119 | 107.1 Ų | 107.1 | 80% | 0.804 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | 23.2 | -175 | -48.6 | 0 | 0 | 0 | 0 | 114.7 | Y34 | Y34-C36 PolarHBondContact O-N 3.01Š|
| 37 | R | 52.9 | Low | 45.1 | Very low | 45 Ų | 45 | 107.3 Ų | 107.3 | 17% | 0.17 | 59% | 0.592 | C | S | . | * | S | Bend | trans | -93.3 | 142.2 | 177.9 | -65.7 | 179.4 | -175.7 | -114.4 | -6 | 110.6 | V33 C35 I40 G117 | V33-R37 VanDerWaalsContact O-CZ 3.3Å; V33-R37 PolarHBondContact O-NE 3.37Å; V33-R37 PolarHBondContact O-NH2 3.06Å; C35-R37 PolarHBondContact O-N 3.17Å; C35-R37 VanDerWaalsContact O-N 3.12Å; R37-I40 HydrophobicContact CB-CD1 3.8Å; R37-G117 PolarHBondContact NH1-O 3.37Å |
| 38 | K | 60.4 | Low | 46.5 | Very low | 154 Ų | 154 | 103.7 Ų | 103.7 | 67% | 0.67 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.2 | 143.6 | -177.5 | -73.2 | -177.6 | 176.1 | 178.2 | 0 | 112.1 | I40 C120 T121 | K38-I40 PolarHBondContact O-N 2.04Å; K38-C120 VanDerWaalsContact O-CB 3.31Å; K38-C120 WeakPolarHBondContact O-CB 3.48Å; K38-C120 PolarHBondContact O-N 2.03Å; K38-T121 HydrophobicContact CB-CG2 4.3Å; K38-T121 HydrophobicContact CD-CG2 4.42Å |
| 39 | N | 65.8 | Low | 47.8 | Very low | 51 Ų | 51 | 99.5 Ų | 99.5 | 27% | 0.273 | 54% | 0.543 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.4 | 42.1 | 173.9 | -45.1 | -49.3 | 0 | 0 | 0 | 115.1 | C108 C109 W112 C120 | N39-C108 CarbonylContact O-C 3.49Å; N39-C108 WeakPolarHBondContact O-CA 3.5Å; N39-C109 HydrophobicContact CB-CB 4.41Å; N39-C109 PolarHBondContact O-N 3.09Å; N39-C109 PolarHBondContact O-SG 2.94Å; N39-W112 HydrophobicContact CB-CB 3.95Å; N39-W112 HydrophobicContact CB-CD2 3.88Å; N39-W112 HydrophobicContact CB-CG 3.58Å; N39-W112 WeakPolarHBondContact ND2-CZ3 3.29Å; N39-C120 HydrophobicContact CB-CB 3.99Å; N39-C120 WeakPolarHBondContact CB-O 3.35Å; N39-C120 PolarHBondContact ND2-O 3.18Å; N39-C120 WeakPolarHBondContact O-CB 3.07Å |
| 40 | I | 62.3 | Low | 48.7 | Very low | 43 Ų | 43 | 95.7 Ų | 95.7 | 22% | 0.221 | 53% | 0.527 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 128.5 | 166.7 | -67.9 | -177.8 | 0 | 0 | 0 | 109.1 | Y34 R37 K38 Y106 N107 C120 | Y34-I40 WeakPolarHBondContact O-CD1 3.5Å; R37-I40 HydrophobicContact CB-CD1 3.8Å; K38-I40 PolarHBondContact O-N 2.04Å; I40-Y106 HydrophobicContact CG2-CD1 4.19Å; I40-Y106 HydrophobicContact CG2-CG 4.43Å; I40-N107 CarbonylContact C-O 3.54Å; I40-N107 WeakPolarHBondContact CA-O 3.23Å; I40-C120 VanDerWaalsContact CG1-SG 3.57Å |
| 41 | C | 67.6 | Low | 49.8 | Very low | 44 Ų | 44 | 90.8 Ų | 90.8 | 30% | 0.297 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 143.1 | -177.8 | -80.2 | 0 | 0 | 0 | 0 | 110.9 | N107 C109 | C41-N107 PolarHBondContact N-O 3.21Å; C41-N107 PolarHBondContact O-N 2.84Å; C41-N107 VanDerWaalsContact O-N 3.07Å; C41-C109 HydrophobicContact CB-CB 3.98Å; C41-C109 WeakPolarHBondContact CB-SG 3.5Å; C41-C109 PolarHBondContact N-SG 3.08Å; C41-C109 VanDerWaalsContact N-SG 3.36Å; C41-C109 WeakPolarHBondContact SG-CB 3Å; C41-C109 CovalentContact SG-SG 2.04Å; C41-C109 PolarHBondContact SG-SG 3.09Å |
| 42 | P | 62.5 | Low | 50.7 | Low | 82 Ų | 82 | 92.3 Ų | 92.3 | 53% | 0.532 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 138.8 | 169.3 | 29.6 | -33 | 0 | 0 | 0 | 111.4 | I104 K105 Y106 | P42-I104 HydrophobicContact CB-CG2 3.42Å; P42-I104 VanDerWaalsContact CB-CG2 3.42Å; P42-K105 CarbonylContact C-O 3.3Å; P42-K105 WeakPolarHBondContact CA-O 3.47Å; P42-Y106 HydrophobicContact CB-CD1 4.36Å; P42-Y106 HydrophobicContact CB-CE1 4.09Å |
| 43 | H | 56.3 | Low | 51.4 | Low | 113 Ų | 113 | 86.6 Ų | 86.6 | 52% | 0.523 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 140.3 | 166.8 | -97.8 | -100.2 | 0 | 0 | 0 | 109.1 | K105 | H43-K105 PolarHBondContact N-O 3.21Å; H43-K105 PolarHBondContact O-N 2.79Å |
| 44 | E | 53.7 | Low | 51.8 | Low | 115 Ų | 115 | 85.5 Ų | 85.5 | 54% | 0.537 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 127.6 | 169.9 | -68.3 | -170.7 | -174.8 | 0 | 0 | 110.7 | R102 H103 | E44-R102 WeakPolarHBondContact OE2-CD 3.05Å; E44-R102 IonicContact OE2-CZ 2.69Å; E44-R102 IonicContact OE2-NE 3.06Å; E44-R102 IonicContact OE2-NH1 3.27Å; E44-R102 PolarHBondContact OE2-NH1 2.04Å; E44-H103 WeakPolarHBondContact CA-O 3.4Å |
| 45 | E | 48.2 | Very low | 52.7 | Low | 97 Ų | 97 | 77.6 Ų | 77.6 | 45% | 0.453 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 150.6 | 160.5 | -77.6 | 178.3 | 173.9 | 0 | 0 | 109.1 | H103 K105 | E45-H103 PolarHBondContact N-O 3.14Å; E45-H103 PolarHBondContact O-N 2.91Å; E45-K105 VanDerWaalsContact CD-CD 3.46Å; E45-K105 HydrophobicContact CG-CD 4.43Å; E45-K105 IonicContact OE1-NZ 2.67Å; E45-K105 PolarHBondContact OE1-NZ 3.41Å; E45-K105 WeakPolarHBondContact OE2-CD 3.38Å; E45-K105 WeakPolarHBondContact OE2-CE 3.35Å; E45-K105 IonicContact OE2-NZ 3.32Å; E45-K105 PolarHBondContact OE2-NZ 3.32Å |
| 46 | V | 51.6 | Low | 53 | Low | 85 Ų | 85 | 77.7 Ų | 77.7 | 52% | 0.515 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 114.9 | -177.2 | -173.9 | 0 | 0 | 0 | 0 | 109.2 | K100 E101 R102 | V46-K100 HydrophobicContact CG1-CB 3.94Å; V46-K100 HydrophobicContact CG1-CD 4.42Å; V46-K100 HydrophobicContact CG1-CG 4.44Å; V46-E101 WeakPolarHBondContact CA-O 3.04Å; V46-R102 HydrophobicContact CG2-CG 4.36Å |
| 47 | E | 51.2 | Low | 53.4 | Low | 116 Ų | 116 | 72.9 Ų | 72.9 | 54% | 0.542 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 153.7 | 179.9 | -171.8 | 162.8 | -174.4 | 0 | 0 | 111.2 | K100 E101 | E47-K100 WeakPolarHBondContact O-CA 3.27Å; E47-E101 PolarHBondContact N-O 2.93Å; E47-E101 PolarHBondContact O-N 2.86Å |
| 48 | V | 51.4 | Low | 53.3 | Low | 71 Ų | 71 | 71.8 Ų | 71.8 | 43% | 0.43 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 85.2 | -178.2 | -172.2 | 0 | 0 | 0 | 0 | 109.4 | Q98 R99 K100 | V48-Q98 HydrophobicContact CG1-CB 3.7Å; V48-Q98 HydrophobicContact CG1-CG 3.92Å; V48-R99 CarbonylContact C-O 3.54Å; V48-K100 HydrophobicContact CG2-CG 4.41Å |
| 49 | V | 53.3 | Low | 52.5 | Low | 44 Ų | 44 | 69.5 Ų | 69.5 | 27% | 0.267 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 138.7 | -179.1 | -176.5 | 0 | 0 | 0 | 0 | 110 | V51 R99 E101 | V49-V51 HydrophobicContact CG1-CG2 4.28Å; V49-R99 PolarHBondContact N-O 3.06Å; V49-R99 PolarHBondContact O-N 3.11Å; V49-E101 HydrophobicContact CB-CG 4.45Å; V49-E101 HydrophobicContact CG2-CB 4.13Å; V49-E101 HydrophobicContact CG2-CG 4.2Å |
| 50 | T | 47.3 | Very low | 51.6 | Low | 81 Ų | 81 | 69 Ų | 69 | 50% | 0.497 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 114.8 | 176.2 | -56.9 | 0 | 0 | 0 | 0 | 109.9 | T96 | T50-T96 HydrophobicContact CG2-CG2 3.98Å |
| 51 | V | 46.9 | Very low | 50.8 | Low | 41 Ų | 41 | 73.8 Ų | 73.8 | 25% | 0.248 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 140.9 | -175.5 | -179.1 | 0 | 0 | 0 | 0 | 109.6 | V49 E53 T96 R97 R99 | V49-V51 HydrophobicContact CG1-CG2 4.28Å; V51-E53 HydrophobicContact CG1-CG 4.42Å; V51-T96 CarbonylContact O-C 3.59Å; V51-T96 WeakPolarHBondContact O-CA 3.41Å; V51-R97 PolarHBondContact N-O 3.14Å; V51-R97 PolarHBondContact O-N 3.23Å; V51-R99 HydrophobicContact CG2-CB 4.08Å |
| 52 | Q | 43.8 | Very low | 50 | Low | 126 Ų | 126 | 78.3 Ų | 78.3 | 59% | 0.589 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 129.8 | 169.9 | -79.2 | -168.9 | -6.8 | 0 | 0 | 111.6 | K95 T96 | Q52-K95 WeakPolarHBondContact CA-O 3.4Å; Q52-T96 HydrophobicContact CG-CG2 3.61Å |
| 53 | E | 46.2 | Very low | 49 | Very low | 45 Ų | 45 | 78 Ų | 78 | 21% | 0.21 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 138 | -179.4 | -64 | 177.2 | 141.7 | 0 | 0 | 110.4 | V51 C55 Y94 K95 W1458 | V51-E53 HydrophobicContact CG1-CG 4.42Å; E53-C55 PolarHBondContact O-N 2.83Å; E53-Y94 WeakPolarHBondContact O-CA 3.07Å; E53-K95 PolarHBondContact N-O 3.35Å; E53-K95 PolarHBondContact O-N 3.41Å; E53-W1458 WeakPolarHBondContact OE1-CZ3 3.09Å; E53-W1458 WeakPolarHBondContact OE2-CH2 3.44Å |
| 54 | P | 41.8 | Very low | 48.8 | Very low | 75 Ų | 75 | 80 Ų | 80 | 49% | 0.487 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 117.1 | -177.3 | 28.3 | -33.5 | 0 | 0 | 0 | 112.1 | R92 T93 Y94 | P54-R92 HydrophobicContact CB-CG 3.95Å; P54-T93 CarbonylContact C-O 3.56Å; P54-T93 WeakPolarHBondContact CA-O 3.06Å; P54-Y94 HydrophobicContact CB-CD1 4.01Å; P54-Y94 HydrophobicContact CB-CE1 3.76Å |
| 55 | C | 55.3 | Low | 48.4 | Very low | 4 Ų | 4 | 84.4 Ų | 84.4 | 3% | 0.027 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 145.4 | 163.4 | -178.3 | 0 | 0 | 0 | 0 | 110.3 | E53 R92 T93 C1435 | E53-C55 PolarHBondContact O-N 2.83Å; C55-R92 VanDerWaalsContact O-CA 3.29Å; C55-R92 WeakPolarHBondContact O-CA 3.1Å; C55-T93 PolarHBondContact N-O 3.32Å; C55-T93 PolarHBondContact O-N 2.03Å; C55-T93 VanDerWaalsContact O-O 3.11Å; C55-C1435 HydrophobicContact CB-CB 4.14Å; C55-C1435 WeakPolarHBondContact CB-SG 3.02Å; C55-C1435 WeakPolarHBondContact SG-CB 3.31Å; C55-C1435 CovalentContact SG-SG 2.03Å; C55-C1435 PolarHBondContact SG-SG 3.4Å |
| 56 | I | 49.9 | Very low | 48.2 | Very low | 81 Ų | 81 | 87.6 Ų | 87.6 | 42% | 0.415 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 111.3 | 169.8 | -61.1 | 172 | 0 | 0 | 0 | 107.9 | Y90 | I56-Y90 HydrophobicContact CG2-CD1 4.45Å |
| 57 | Q | 53 | Low | 47.9 | Very low | 18 Ų | 18 | 90.3 Ų | 90.3 | 8% | 0.084 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 155.1 | -178 | -63.3 | 172.7 | -92.6 | 0 | 0 | 110.9 | Y90 Y91 T93 T1433 | Q57-Y90 VanDerWaalsContact O-CA 3.27Å; Q57-Y90 WeakPolarHBondContact O-CA 3.32Å; Q57-Y91 HydrophobicContact CB-CD1 3.99Å; Q57-Y91 HydrophobicContact CB-CE1 3.54Å; Q57-Y91 HydrophobicContact CB-CE2 4.4Å; Q57-Y91 PolarHBondContact N-O 3.19Å; Q57-Y91 PolarHBondContact NE2-OH 2.03Å; Q57-Y91 VanDerWaalsContact NE2-OH 3.09Å; Q57-Y91 PolarHBondContact O-N 3.5Å; Q57-Y91 VanDerWaalsContact OE1-CE2 3.23Å; Q57-T93 PolarHBondContact OE1-OG1 2.93Å; Q57-T1433 PolarHBondContact NE2-O 2.88Å |
| 58 | A | 50.2 | Low | 47.5 | Very low | 21 Ų | 21 | 88 Ų | 88 | 17% | 0.174 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 108.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | T88 Y90 M1446 | A58-T88 HydrophobicContact CB-CG2 3.97Å; A58-Y90 HydrophobicContact CB-CD1 3.77Å; A58-Y90 HydrophobicContact CB-CE1 3.5Å; A58-M1446 HydrophobicContact CB-CE 4.38Å |
| 59 | Y | 45.2 | Very low | 47.6 | Very low | 107 Ų | 107 | 90.9 Ų | 90.9 | 42% | 0.42 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 105.9 | 177.5 | 177.4 | -108.4 | 0 | 0 | 0 | 111.1 | R61 T88 I89 | Y59-R61 HydrophobicContact CD1-CB 4.28Å; Y59-R61 HydrophobicContact CE1-CB 3.72Å; Y59-R61 HydrophobicContact CE1-CG 4.07Å; Y59-R61 PolarHBondContact O-N 2.9Å; Y59-T88 WeakPolarHBondContact O-CA 3.42Å; Y59-I89 PolarHBondContact N-O 2.84Å; Y59-I89 PolarHBondContact O-N 2.71Å |
| 60 | T | 45.6 | Very low | 47.7 | Very low | 41 Ų | 41 | 91.7 Ų | 91.7 | 25% | 0.252 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 103.1 | 174.9 | -48.7 | 0 | 0 | 0 | 0 | 110.3 | Y62 | T60-Y62 HydrophobicContact CG2-CD2 4.31Å; T60-Y62 HydrophobicContact CG2-CE1 3.95Å; T60-Y62 HydrophobicContact CG2-CE2 3.69Å; T60-Y62 VanDerWaalsContact CG2-CZ 3.49Å; T60-Y62 VanDerWaalsContact O-CD2 3.28Å; T60-Y62 WeakPolarHBondContact O-CD2 3.32Å; T60-Y62 WeakPolarHBondContact O-CE2 3.07Å; T60-Y62 PolarHBondContact O-N 2.87Å |
| 61 | R | 45.8 | Very low | 47.6 | Very low | 142 Ų | 142 | 94.8 Ų | 94.8 | 54% | 0.536 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 107.8 | 175.9 | -166.9 | 179.8 | -176.9 | -176.5 | 0.8 | 110.2 | Y59 I63 T87 | Y59-R61 HydrophobicContact CD1-CB 4.28Å; Y59-R61 HydrophobicContact CE1-CB 3.72Å; Y59-R61 HydrophobicContact CE1-CG 4.07Å; Y59-R61 PolarHBondContact O-N 2.9Å; R61-I63 HydrophobicContact CG-CG1 4.15Å; R61-T87 PolarHBondContact N-O 2.99Å; R61-T87 PolarHBondContact O-N 3.33Å |
| 62 | Y | 49.8 | Very low | 47.7 | Very low | 139 Ų | 139 | 101.8 Ų | 101.8 | 55% | 0.545 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 107.1 | 172.5 | -60.7 | -85.1 | 0 | 0 | 0 | 110.4 | T60 Y84 | T60-Y62 HydrophobicContact CG2-CD2 4.31Å; T60-Y62 HydrophobicContact CG2-CE1 3.95Å; T60-Y62 HydrophobicContact CG2-CE2 3.69Å; T60-Y62 VanDerWaalsContact CG2-CZ 3.49Å; T60-Y62 VanDerWaalsContact O-CD2 3.28Å; T60-Y62 WeakPolarHBondContact O-CD2 3.32Å; T60-Y62 WeakPolarHBondContact O-CE2 3.07Å; T60-Y62 PolarHBondContact O-N 2.87Å; Y62-Y84 HydrophobicContact CD1-CG 4.36Å |
| 63 | I | 42.7 | Very low | 47.8 | Very low | 75 Ų | 75 | 104.8 Ų | 104.8 | 39% | 0.385 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 128.1 | 179.1 | -57.2 | 179.2 | 0 | 0 | 0 | 109.3 | R61 S85 | R61-I63 HydrophobicContact CG-CG1 4.15Å; I63-S85 PolarHBondContact N-O 3.17Å; I63-S85 PolarHBondContact O-N 2.88Å; I63-S85 PolarHBondContact O-OG 2.88Å |
| 64 | R | 51 | Low | 47.4 | Very low | 155 Ų | 155 | 111 Ų | 111 | 59% | 0.585 | 51% | 0.514 | S | S | * | . | P | Polyproline II helix | trans | -81.2 | 121.2 | 172 | -76.5 | -172.7 | -93.2 | -129.1 | 1.3 | 109.9 | Y84 | R64-Y84 HydrophobicContact CG-CD1 4.02Å; R64-Y84 HydrophobicContact CG-CE1 3.61Å |
| 65 | R | 47.1 | Very low | 47.7 | Very low | 209 Ų | 209 | 117.1 Ų | 117.1 | 79% | 0.789 | 53% | 0.527 | S | S | * | . | P | Polyproline II helix | trans | -73.8 | 141.5 | 167.6 | -70.3 | -171.6 | 176.8 | -159.1 | -0.2 | 109.8 | ||
| 66 | W | 43.7 | Very low | 47 | Very low | 164 Ų | 164 | 124.1 Ų | 124.1 | 62% | 0.621 | 55% | 0.553 | S | S | * | * | trans | -107.2 | 143.8 | 172.4 | -64.1 | 79.9 | 0 | 0 | 0 | 109 | W76 V78 | W66-W76 HydrophobicContact CB-CE3 4.17Å; W66-W76 HydrophobicContact CB-CZ3 4.32Å; W66-W76 HydrophobicContact CE3-CB 4.19Å; W66-W76 HydrophobicContact CZ3-CB 4.38Å; W66-V78 HydrophobicContact CD2-CG2 4.3Å; W66-V78 HydrophobicContact CE3-CG2 3.9Å; W66-V78 HydrophobicContact CH2-CG2 3.94Å; W66-V78 HydrophobicContact CZ2-CG2 4.31Å; W66-V78 HydrophobicContact CZ3-CG2 3.72Å | ||
| 67 | K | 44.1 | Very low | 47 | Very low | 142 Ų | 142 | 122.6 Ų | 122.6 | 62% | 0.617 | 55% | 0.549 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 135.9 | 171.1 | -163 | 176.2 | -177.7 | -178.3 | 0 | 108.9 | ||
| 68 | P | 43.5 | Very low | 46.8 | Very low | 66 Ų | 66 | 125 Ų | 125 | 43% | 0.429 | 57% | 0.565 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -77.6 | 159.5 | 177 | 31.6 | -34.9 | 0 | 0 | 0 | 111.7 | R75 W76 | P68-R75 WeakPolarHBondContact CA-O 2.99Å; P68-W76 HydrophobicContact CB-CE3 4.11Å; P68-W76 HydrophobicContact CB-CH2 4.11Å; P68-W76 HydrophobicContact CB-CZ3 3.86Å; P68-W76 HydrophobicContact CG-CZ3 4.28Å |
| 69 | N | 54.5 | Low | 46.6 | Very low | 132 Ų | 132 | 130 Ų | 130 | 71% | 0.706 | 59% | 0.587 | S | S | * | * | trans | 55.9 | 62.6 | 168.8 | -60.4 | -9 | 0 | 0 | 0 | 115.5 | R75 | N69-R75 PolarHBondContact N-O 2.84Å; N69-R75 VanDerWaalsContact N-O 3.12Å | ||
| 70 | C | 54 | Low | 46.5 | Very low | 62 Ų | 62 | 130.8 Ų | 130.8 | 42% | 0.419 | 61% | 0.609 | S | S | . | * | S | Bend | trans | -110.4 | 106.2 | 157.3 | -45.1 | 0 | 0 | 0 | 0 | 109.2 | C77 | C70-C77 VanDerWaalsContact CB-SG 3.55Š|
| 71 | D | 45.1 | Very low | 46.2 | Very low | 145 Ų | 145 | 136.1 Ų | 136.1 | 78% | 0.775 | 63% | 0.631 | S | S | * | * | S | Bend | trans | 64.4 | 152.5 | -177.5 | -129.6 | -35.5 | 0 | 0 | 0 | 118.6 | Q73 | D71-Q73 PolarHBondContact O-N 2.84Å; D71-Q73 VanDerWaalsContact O-N 3.1Å |
| 72 | Q | 49.1 | Very low | 46 | Very low | 188 Ų | 188 | 134.2 Ų | 134.2 | 88% | 0.879 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.4 | 0.1 | -140.2 | -65.2 | -164.3 | -2.3 | 0 | 0 | 117.4 | ||
| 73 | Q | 45.5 | Very low | 45.3 | Very low | 190 Ų | 190 | 137.3 Ų | 137.3 | 89% | 0.888 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.2 | -8.5 | -173.1 | -66 | -163.4 | 1.9 | 0 | 0 | 117.1 | D71 | D71-Q73 PolarHBondContact O-N 2.84Å; D71-Q73 VanDerWaalsContact O-N 3.1Å |
| 74 | K | 39.3 | Very low | 45.2 | Very low | 176 Ų | 176 | 139.1 Ų | 139.1 | 77% | 0.765 | 66% | 0.656 | S | S | * | * | trans | -140.9 | 129.1 | 169.4 | -69.2 | -173.1 | -179.6 | 173.9 | 0 | 111.5 | W76 | K74-W76 PolarHBondContact O-N 3.45Å; K74-W76 VanDerWaalsContact O-N 3.1Å | ||
| 75 | R | 46.7 | Very low | 44.7 | Very low | 203 Ų | 203 | 134 Ų | 134 | 77% | 0.766 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -63.6 | -17.9 | -169.2 | -70.3 | -176.9 | 176.2 | 176.1 | -1.5 | 116 | P68 N69 | P68-R75 WeakPolarHBondContact CA-O 2.99Å; N69-R75 PolarHBondContact N-O 2.84Å; N69-R75 VanDerWaalsContact N-O 3.12Å |
| 76 | W | 41 | Very low | 44.3 | Very low | 150 Ų | 150 | 127.4 Ų | 127.4 | 57% | 0.568 | 63% | 0.63 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -144.1 | 138.2 | -173.7 | -58.8 | 99.5 | 0 | 0 | 0 | 111.1 | W66 P68 K74 | W66-W76 HydrophobicContact CB-CE3 4.17Å; W66-W76 HydrophobicContact CB-CZ3 4.32Å; W66-W76 HydrophobicContact CE3-CB 4.19Å; W66-W76 HydrophobicContact CZ3-CB 4.38Å; P68-W76 HydrophobicContact CB-CE3 4.11Å; P68-W76 HydrophobicContact CB-CH2 4.11Å; P68-W76 HydrophobicContact CB-CZ3 3.86Å; P68-W76 HydrophobicContact CG-CZ3 4.28Å; K74-W76 PolarHBondContact O-N 3.45Å; K74-W76 VanDerWaalsContact O-N 3.1Å |
| 77 | C | 50.8 | Low | 44.1 | Very low | 49 Ų | 49 | 123.4 Ų | 123.4 | 33% | 0.331 | 62% | 0.624 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -151 | 166.5 | 174.6 | 53.6 | 0 | 0 | 0 | 0 | 110.6 | C70 | C70-C77 VanDerWaalsContact CB-SG 3.55Å |
| 78 | V | 47.9 | Very low | 44 | Very low | 70 Ų | 70 | 119.6 Ų | 119.6 | 42% | 0.424 | 61% | 0.612 | S | S | . | * | trans | -114.6 | 127.9 | -177.3 | -179.1 | 0 | 0 | 0 | 0 | 108.3 | W66 | W66-V78 HydrophobicContact CD2-CG2 4.3Å; W66-V78 HydrophobicContact CE3-CG2 3.9Å; W66-V78 HydrophobicContact CH2-CG2 3.94Å; W66-V78 HydrophobicContact CZ2-CG2 4.31Å; W66-V78 HydrophobicContact CZ3-CG2 3.72Å | ||
| 79 | I | 46.2 | Very low | 44.1 | Very low | 124 Ų | 124 | 120.6 Ų | 120.6 | 64% | 0.636 | 61% | 0.613 | S | S | * | * | trans | -68.9 | 136.2 | 178 | -59.4 | 172.9 | 0 | 0 | 0 | 108.8 | E81 | I79-E81 VanDerWaalsContact C-N 3.27Å; I79-E81 PolarHBondContact O-N 3.42Å | ||
| 80 | S | 44.1 | Very low | 43.5 | Very low | 124 Ų | 124 | 120.6 Ų | 120.6 | 87% | 0.867 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -80.3 | 5.2 | -170.9 | 48.3 | 0 | 0 | 0 | 0 | 115.5 | ||
| 81 | E | 39.2 | Very low | 43.2 | Very low | 154 Ų | 154 | 122.5 Ų | 122.5 | 72% | 0.72 | 60% | 0.603 | S | S | * | * | S | Bend | trans | -120.8 | 144.5 | 179.2 | -70.7 | -167.8 | -171.2 | 0 | 0 | 113.1 | I79 K83 | I79-E81 VanDerWaalsContact C-N 3.27Å; I79-E81 PolarHBondContact O-N 3.42Å; E81-K83 PolarHBondContact O-N 2.86Å |
| 82 | P | 40.9 | Very low | 43.4 | Very low | 102 Ų | 102 | 121.3 Ų | 121.3 | 66% | 0.662 | 59% | 0.588 | S | S | * | * | trans | -89 | 66.9 | -149.6 | 35.8 | -39.5 | 0 | 0 | 0 | 115.7 | Y84 | P82-Y84 VanDerWaalsContact C-N 3.34Å; P82-Y84 HydrophobicContact CB-CD2 3.79Å; P82-Y84 HydrophobicContact CB-CE2 3.59Å; P82-Y84 PolarHBondContact O-N 3.4Å | ||
| 83 | K | 35.5 | Very low | 43.5 | Very low | 203 Ų | 203 | 114.3 Ų | 114.3 | 88% | 0.883 | 56% | 0.558 | S | S | * | * | trans | -85.6 | 71.4 | 163.6 | -71.3 | -168.9 | 178.5 | -177.9 | 0 | 111.8 | E81 | E81-K83 PolarHBondContact O-N 2.86Š| ||
| 84 | Y | 40 | Very low | 44 | Very low | 113 Ų | 113 | 111.3 Ų | 111.3 | 44% | 0.443 | 54% | 0.539 | S | S | . | . | P | Polyproline II helix | trans | -81 | 140.8 | 172.7 | -65.3 | -82.6 | 0 | 0 | 0 | 111.9 | Y62 R64 P82 | Y62-Y84 HydrophobicContact CD1-CG 4.36Å; R64-Y84 HydrophobicContact CG-CD1 4.02Å; R64-Y84 HydrophobicContact CG-CE1 3.61Å; P82-Y84 VanDerWaalsContact C-N 3.34Å; P82-Y84 HydrophobicContact CB-CD2 3.79Å; P82-Y84 HydrophobicContact CB-CE2 3.59Å; P82-Y84 PolarHBondContact O-N 3.4Å |
| 85 | S | 40 | Very low | 44.7 | Very low | 47 Ų | 47 | 105.1 Ų | 105.1 | 33% | 0.329 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 121.4 | 163.5 | 55.1 | 0 | 0 | 0 | 0 | 110 | I63 | I63-S85 PolarHBondContact N-O 3.17Å; I63-S85 PolarHBondContact O-N 2.88Å; I63-S85 PolarHBondContact O-OG 2.88Å |
| 86 | S | 40.3 | Very low | 44.9 | Very low | 71 Ų | 71 | 99.9 Ų | 99.9 | 50% | 0.497 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 121.9 | -176.4 | 53 | 0 | 0 | 0 | 0 | 112.7 | ||
| 87 | T | 38 | Very low | 45.3 | Very low | 80 Ų | 80 | 98.2 Ų | 98.2 | 49% | 0.491 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 118.6 | 171.6 | -52.7 | 0 | 0 | 0 | 0 | 109.9 | R61 | R61-T87 PolarHBondContact N-O 2.99Å; R61-T87 PolarHBondContact O-N 3.33Å |
| 88 | T | 43.2 | Very low | 45 | Very low | 62 Ų | 62 | 102.4 Ų | 102.4 | 38% | 0.38 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 115.2 | -177.9 | -50.8 | 0 | 0 | 0 | 0 | 111.2 | A58 Y59 Y90 | A58-T88 HydrophobicContact CB-CG2 3.97Å; Y59-T88 WeakPolarHBondContact O-CA 3.42Å; T88-Y90 HydrophobicContact CG2-CE2 4.02Å |
| 89 | I | 44.1 | Very low | 44.8 | Very low | 88 Ų | 88 | 105.7 Ų | 105.7 | 45% | 0.451 | 52% | 0.517 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 123.7 | 179.3 | -56.4 | 175.1 | 0 | 0 | 0 | 108.5 | Y59 | Y59-I89 PolarHBondContact N-O 2.84Å; Y59-I89 PolarHBondContact O-N 2.71Å |
| 90 | Y | 43 | Very low | 45.1 | Very low | 132 Ų | 132 | 107.5 Ų | 107.5 | 52% | 0.518 | 52% | 0.52 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 136.9 | 174.9 | -64.1 | -88.7 | 0 | 0 | 0 | 110.7 | I56 Q57 A58 T88 | I56-Y90 HydrophobicContact CG2-CD1 4.45Å; Q57-Y90 VanDerWaalsContact O-CA 3.27Å; Q57-Y90 WeakPolarHBondContact O-CA 3.32Å; A58-Y90 HydrophobicContact CB-CD1 3.77Å; A58-Y90 HydrophobicContact CB-CE1 3.5Å; T88-Y90 HydrophobicContact CG2-CE2 4.02Å |
| 91 | Y | 48.2 | Very low | 45.1 | Very low | 102 Ų | 102 | 104.6 Ų | 104.6 | 40% | 0.4 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 149.7 | 178.1 | 67.2 | -70 | 0 | 0 | 0 | 111.3 | Q57 T93 | Q57-Y91 HydrophobicContact CB-CD1 3.99Å; Q57-Y91 HydrophobicContact CB-CE1 3.54Å; Q57-Y91 HydrophobicContact CB-CE2 4.4Å; Q57-Y91 PolarHBondContact N-O 3.19Å; Q57-Y91 PolarHBondContact NE2-OH 2.03Å; Q57-Y91 VanDerWaalsContact NE2-OH 3.09Å; Q57-Y91 PolarHBondContact O-N 3.5Å; Q57-Y91 VanDerWaalsContact OE1-CE2 3.23Å; Y91-T93 HydrophobicContact CD2-CG2 4.06Å; Y91-T93 HydrophobicContact CE2-CG2 3.92Å |
| 92 | R | 48.9 | Very low | 45.5 | Very low | 119 Ų | 119 | 105.7 Ų | 105.7 | 45% | 0.449 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 131.1 | -179.1 | -179.5 | -177.9 | -78.4 | 164.8 | -1.1 | 110.6 | P54 C55 Y94 | P54-R92 HydrophobicContact CB-CG 3.95Å; C55-R92 VanDerWaalsContact O-CA 3.29Å; C55-R92 WeakPolarHBondContact O-CA 3.1Å; R92-Y94 WeakPolarHBondContact CD-OH 3.41Å; R92-Y94 HydrophobicContact CG-CE2 4.43Å |
| 93 | T | 50.6 | Low | 45.8 | Very low | 41 Ų | 41 | 105.1 Ų | 105.1 | 25% | 0.252 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | -178 | 166.1 | 52.8 | 0 | 0 | 0 | 0 | 109.2 | P54 C55 Q57 Y91 | P54-T93 CarbonylContact C-O 3.56Å; P54-T93 WeakPolarHBondContact CA-O 3.06Å; C55-T93 PolarHBondContact N-O 3.32Å; C55-T93 PolarHBondContact O-N 2.03Å; C55-T93 VanDerWaalsContact O-O 3.11Å; Q57-T93 PolarHBondContact OE1-OG1 2.93Å; Y91-T93 HydrophobicContact CD2-CG2 4.06Å; Y91-T93 HydrophobicContact CE2-CG2 3.92Å |
| 94 | Y | 56.8 | Low | 46.7 | Very low | 127 Ų | 127 | 100.3 Ų | 100.3 | 50% | 0.498 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 135.9 | -177.5 | -63 | -90.9 | 0 | 0 | 0 | 110.7 | E53 P54 R92 | E53-Y94 WeakPolarHBondContact O-CA 3.07Å; P54-Y94 HydrophobicContact CB-CD1 4.01Å; P54-Y94 HydrophobicContact CB-CE1 3.76Å; R92-Y94 WeakPolarHBondContact CD-OH 3.41Å; R92-Y94 HydrophobicContact CG-CE2 4.43Å |
| 95 | K | 52.5 | Low | 47.6 | Very low | 47 Ų | 47 | 99.2 Ų | 99.2 | 20% | 0.204 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 140.5 | 173.4 | 70.9 | -178.6 | -174 | -176.9 | 0 | 110.5 | Q52 E53 D1437 | Q52-K95 WeakPolarHBondContact CA-O 3.4Å; E53-K95 PolarHBondContact N-O 3.35Å; E53-K95 PolarHBondContact O-N 3.41Å; K95-D1437 IonicContact NZ-OD1 2.72Å; K95-D1437 PolarHBondContact NZ-OD1 2.97Å |
| 96 | T | 51.2 | Low | 48.7 | Very low | 92 Ų | 92 | 103.9 Ų | 103.9 | 56% | 0.564 | 47% | 0.47 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 122.7 | 171.1 | 44.9 | 0 | 0 | 0 | 0 | 110.7 | T50 V51 Q52 | T50-T96 HydrophobicContact CG2-CG2 3.98Å; V51-T96 CarbonylContact O-C 3.59Å; V51-T96 WeakPolarHBondContact O-CA 3.41Å; Q52-T96 HydrophobicContact CG-CG2 3.61Å |
| 97 | R | 49.1 | Very low | 50 | Low | 115 Ų | 115 | 104.2 Ų | 104.2 | 43% | 0.434 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 139.5 | 172.3 | -142.2 | 179.7 | -162.8 | -80.6 | 4.7 | 109.5 | V51 D1437 | V51-R97 PolarHBondContact N-O 3.14Å; V51-R97 PolarHBondContact O-N 3.23Å; R97-D1437 IonicContact CZ-OD2 3.16Å; R97-D1437 IonicContact NE-OD1 3.27Å; R97-D1437 IonicContact NE-OD2 3.5Å; R97-D1437 PolarHBondContact NE-OD2 3.2Å; R97-D1437 IonicContact NH2-OD2 3.62Å; R97-D1437 PolarHBondContact NH2-OD2 2.91Å |
| 98 | Q | 44.7 | Very low | 51.8 | Low | 138 Ų | 138 | 102.1 Ų | 102.1 | 65% | 0.645 | 45% | 0.454 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 122.1 | 173.5 | -81 | -174.8 | -6.9 | 0 | 0 | 110.3 | V48 | V48-Q98 HydrophobicContact CG1-CB 3.7Å; V48-Q98 HydrophobicContact CG1-CG 3.92Å |
| 99 | R | 44.9 | Very low | 52.9 | Low | 139 Ų | 139 | 100.2 Ų | 100.2 | 53% | 0.525 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 136.3 | -179.7 | 179.4 | 177.3 | 169.4 | -159.9 | -14 | 109 | V48 V49 V51 E101 | V48-R99 CarbonylContact C-O 3.54Å; V49-R99 PolarHBondContact N-O 3.06Å; V49-R99 PolarHBondContact O-N 3.11Å; V51-R99 HydrophobicContact CG2-CB 4.08Å; R99-E101 HydrophobicContact CG-CG 4.27Å; R99-E101 IonicContact CZ-OE1 2.7Å; R99-E101 IonicContact NE-OE1 3.41Å; R99-E101 PolarHBondContact NE-OE1 3.02Å; R99-E101 IonicContact NH1-OE1 3.29Å; R99-E101 PolarHBondContact NH1-OE1 3.32Å; R99-E101 IonicContact NH2-OE1 3.27Å; R99-E101 PolarHBondContact NH2-OE1 3.46Å |
| 100 | K | 52.2 | Low | 54.4 | Low | 162 Ų | 162 | 103.2 Ų | 103.2 | 70% | 0.704 | 45% | 0.45 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 116.8 | 175 | -65.8 | -175.1 | -179.4 | -177.3 | 0 | 109.4 | V46 E47 V48 | V46-K100 HydrophobicContact CG1-CB 3.94Å; V46-K100 HydrophobicContact CG1-CD 4.42Å; V46-K100 HydrophobicContact CG1-CG 4.44Å; E47-K100 WeakPolarHBondContact O-CA 3.27Å; V48-K100 HydrophobicContact CG2-CG 4.41Å |
| 101 | E | 43.7 | Very low | 55.6 | Low | 62 Ų | 62 | 97.4 Ų | 97.4 | 29% | 0.29 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 156.3 | 172.7 | -59.8 | -153.9 | 126.1 | 0 | 0 | 110 | V46 E47 V49 R99 | V46-E101 WeakPolarHBondContact CA-O 3.04Å; E47-E101 PolarHBondContact N-O 2.93Å; E47-E101 PolarHBondContact O-N 2.86Å; V49-E101 HydrophobicContact CB-CG 4.45Å; V49-E101 HydrophobicContact CG2-CB 4.13Å; V49-E101 HydrophobicContact CG2-CG 4.2Å; R99-E101 HydrophobicContact CG-CG 4.27Å; R99-E101 IonicContact CZ-OE1 2.7Å; R99-E101 IonicContact NE-OE1 3.41Å; R99-E101 PolarHBondContact NE-OE1 3.02Å; R99-E101 IonicContact NH1-OE1 3.29Å; R99-E101 PolarHBondContact NH1-OE1 3.32Å; R99-E101 IonicContact NH2-OE1 3.27Å; R99-E101 PolarHBondContact NH2-OE1 3.46Å |
| 102 | R | 47.2 | Very low | 56.9 | Low | 178 Ų | 178 | 95.4 Ų | 95.4 | 67% | 0.672 | 42% | 0.422 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 125.5 | -173.7 | -63 | -168.3 | 179.6 | -148.7 | 4.8 | 109.8 | E44 V46 | E44-R102 WeakPolarHBondContact OE2-CD 3.05Å; E44-R102 IonicContact OE2-CZ 2.69Å; E44-R102 IonicContact OE2-NE 3.06Å; E44-R102 IonicContact OE2-NH1 3.27Å; E44-R102 PolarHBondContact OE2-NH1 2.04Å; V46-R102 HydrophobicContact CG2-CG 4.36Å |
| 103 | H | 47.2 | Very low | 58 | Low | 90 Ų | 90 | 92.9 Ų | 92.9 | 42% | 0.417 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 141.7 | -178.8 | -70.9 | -108.7 | 0 | 0 | 0 | 109.8 | E44 E45 | E44-H103 WeakPolarHBondContact CA-O 3.4Å; E45-H103 PolarHBondContact N-O 3.14Å; E45-H103 PolarHBondContact O-N 2.91Å |
| 104 | I | 55.7 | Low | 59 | Low | 102 Ų | 102 | 95.3 Ų | 95.3 | 52% | 0.523 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 123.2 | 179.8 | -61.4 | 175.7 | 0 | 0 | 0 | 108.8 | P42 Y106 | P42-I104 HydrophobicContact CB-CG2 3.42Å; P42-I104 VanDerWaalsContact CB-CG2 3.42Å; I104-Y106 HydrophobicContact CG2-CE2 4.22Å |
| 105 | K | 57.3 | Low | 59.6 | Low | 90 Ų | 90 | 91.4 Ų | 91.4 | 39% | 0.391 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 137.9 | -176.2 | -175.5 | 175.8 | -178.9 | 179.9 | 0 | 109.8 | P42 H43 E45 | P42-K105 CarbonylContact C-O 3.3Å; P42-K105 WeakPolarHBondContact CA-O 3.47Å; H43-K105 PolarHBondContact N-O 3.21Å; H43-K105 PolarHBondContact O-N 2.79Å; E45-K105 VanDerWaalsContact CD-CD 3.46Å; E45-K105 HydrophobicContact CG-CD 4.43Å; E45-K105 IonicContact OE1-NZ 2.67Å; E45-K105 PolarHBondContact OE1-NZ 3.41Å; E45-K105 WeakPolarHBondContact OE2-CD 3.38Å; E45-K105 WeakPolarHBondContact OE2-CE 3.35Å; E45-K105 IonicContact OE2-NZ 3.32Å; E45-K105 PolarHBondContact OE2-NZ 3.32Å |
| 106 | Y | 64.2 | Low | 60 | Low | 144 Ų | 144 | 95.1 Ų | 95.1 | 57% | 0.565 | 45% | 0.452 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 109.9 | -171 | -69.2 | -87.4 | 0 | 0 | 0 | 110.8 | I40 P42 I104 | I40-Y106 HydrophobicContact CG2-CD1 4.19Å; I40-Y106 HydrophobicContact CG2-CG 4.43Å; P42-Y106 HydrophobicContact CB-CD1 4.36Å; P42-Y106 HydrophobicContact CB-CE1 4.09Å; I104-Y106 HydrophobicContact CG2-CE2 4.22Å |
| 107 | N | 66.3 | Low | 60.5 | Low | 79 Ų | 79 | 93.9 Ų | 93.9 | 42% | 0.422 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 170.9 | -179.9 | -76.5 | -20 | 0 | 0 | 0 | 110.3 | I40 C41 C109 | I40-N107 CarbonylContact C-O 3.54Å; I40-N107 WeakPolarHBondContact CA-O 3.23Å; C41-N107 PolarHBondContact N-O 3.21Å; C41-N107 PolarHBondContact O-N 2.84Å; C41-N107 VanDerWaalsContact O-N 3.07Å; N107-C109 PolarHBondContact O-N 3.12Å |
| 108 | C | 76 | Confident | 61.2 | Low | 35 Ų | 35 | 94.5 Ų | 94.5 | 24% | 0.236 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.3 | 138.2 | 171.7 | -63.9 | 0 | 0 | 0 | 0 | 111.6 | N39 W112 C120 | N39-C108 CarbonylContact O-C 3.49Å; N39-C108 WeakPolarHBondContact O-CA 3.5Å; C108-W112 WeakPolarHBondContact CB-O 3.02Å; C108-C120 WeakPolarHBondContact CA-SG 3.2Å; C108-C120 HydrophobicContact CB-CB 3.71Å; C108-C120 WeakPolarHBondContact CB-SG 3.33Å; C108-C120 WeakPolarHBondContact SG-CB 3.07Å; C108-C120 CovalentContact SG-SG 2.03Å; C108-C120 PolarHBondContact SG-SG 3.04Å |
| 109 | C | 67.9 | Low | 62 | Low | 22 Ų | 22 | 88.2 Ų | 88.2 | 15% | 0.149 | 44% | 0.438 | C | S | . | . | P | Polyproline II helix | trans | -60.5 | 143.9 | 172.2 | -61.8 | 0 | 0 | 0 | 0 | 110.9 | N39 C41 N107 G111 W112 | N39-C109 HydrophobicContact CB-CB 4.41Å; N39-C109 PolarHBondContact O-N 3.09Å; N39-C109 PolarHBondContact O-SG 2.94Å; C41-C109 HydrophobicContact CB-CB 3.98Å; C41-C109 WeakPolarHBondContact CB-SG 3.5Å; C41-C109 PolarHBondContact N-SG 3.08Å; C41-C109 VanDerWaalsContact N-SG 3.36Å; C41-C109 WeakPolarHBondContact SG-CB 3Å; C41-C109 CovalentContact SG-SG 2.04Å; C41-C109 PolarHBondContact SG-SG 3.09Å; N107-C109 PolarHBondContact O-N 3.12Å; C109-G111 PolarHBondContact O-N 2.95Å; C109-W112 WeakPolarHBondContact O-CB 3.46Å; C109-W112 PolarHBondContact O-N 2.87Å |
| 110 | Y | 74.8 | Confident | 63.3 | Low | 152 Ų | 152 | 81.9 Ų | 81.9 | 60% | 0.596 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | 128.3 | -179.1 | -168.6 | -82.6 | 0 | 0 | 0 | 111.7 | L129 | Y110-L129 HydrophobicContact CD1-CD1 3.57Å; Y110-L129 HydrophobicContact CE1-CD1 3.63Å |
| 111 | G | 68.6 | Low | 64.1 | Low | 10 Ų | 10 | 75.8 Ų | 75.8 | 10% | 0.103 | 39% | 0.391 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 96.1 | -1.3 | -171.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | C109 N124 | C109-G111 PolarHBondContact O-N 2.95Å; G111-N124 PolarHBondContact O-N 2.97Å |
| 112 | W | 75.6 | Confident | 65.4 | Low | 60 Ų | 60 | 78.6 Ų | 78.6 | 23% | 0.227 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 143.3 | 178.7 | -60.5 | 90.3 | 0 | 0 | 0 | 112.5 | N39 C108 C109 C120 K122 P123 L145 | N39-W112 HydrophobicContact CB-CB 3.95Å; N39-W112 HydrophobicContact CB-CD2 3.88Å; N39-W112 HydrophobicContact CB-CG 3.58Å; N39-W112 WeakPolarHBondContact ND2-CZ3 3.29Å; C108-W112 WeakPolarHBondContact CB-O 3.02Å; C109-W112 WeakPolarHBondContact O-CB 3.46Å; C109-W112 PolarHBondContact O-N 2.87Å; W112-C120 HydrophobicContact CB-CB 4.16Å; W112-K122 WeakPolarHBondContact CA-O 3.4Å; W112-P123 HydrophobicContact CE3-CB 4.29Å; W112-P123 HydrophobicContact CH2-CB 4.45Å; W112-P123 HydrophobicContact CZ3-CB 4.01Å; W112-P123 HydrophobicContact CZ3-CG 4.49Å; W112-L145 HydrophobicContact CZ2-CB 4.41Å; W112-L145 HydrophobicContact CZ2-CD2 4.04Å |
| 113 | L | 71.8 | Confident | 66.3 | Low | 66 Ų | 66 | 71 Ų | 71 | 35% | 0.346 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 146.2 | 179.2 | -73.9 | 170.1 | 0 | 0 | 0 | 111.5 | C120 K122 N124 | L113-C120 CarbonylContact O-C 3.56Å; L113-C120 WeakPolarHBondContact O-CA 3.44Å; L113-K122 HydrophobicContact CB-CB 4.28Å; L113-K122 PolarHBondContact N-O 2.95Å; L113-K122 PolarHBondContact O-N 3.48Å; L113-N124 HydrophobicContact CD1-CB 3.8Å; L113-N124 HydrophobicContact CG-CB 3.89Å |
| 114 | P | 70.5 | Confident | 67.5 | Low | 91 Ų | 91 | 70 Ų | 70 | 59% | 0.591 | 37% | 0.374 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 132.9 | 178.7 | 29.6 | -33.3 | 0 | 0 | 0 | 111.6 | ||
| 115 | V | 69.9 | Low | 68.1 | Low | 46 Ų | 46 | 67.2 Ų | 67.2 | 28% | 0.279 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 128.9 | 170.1 | -176.1 | 0 | 0 | 0 | 0 | 108 | E118 G119 T121 K122 | V115-E118 PolarHBondContact O-N 3.28Å; V115-G119 WeakPolarHBondContact CB-O 3.31Å; V115-G119 PolarHBondContact N-O 3.38Å; V115-G119 PolarHBondContact O-N 3.43Å; V115-T121 WeakPolarHBondContact CG2-OG1 3.47Å; V115-K122 HydrophobicContact CG2-CB 3.62Å |
| 116 | P | 60.6 | Low | 68.6 | Low | 124 Ų | 124 | 65.6 Ų | 65.6 | 81% | 0.805 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | 142 | 173.7 | -25.6 | 35 | 0 | 0 | 0 | 111.5 | E118 | P116-E118 PolarHBondContact O-N 3.12Š|
| 117 | G | 61.8 | Low | 68.6 | Low | 67 Ų | 67 | 63.9 Ų | 63.9 | 69% | 0.691 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79 | -45.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | R37 | R37-G117 PolarHBondContact NH1-O 3.37Š|
| 118 | E | 64.2 | Low | 68.5 | Low | 127 Ų | 127 | 65.4 Ų | 65.4 | 59% | 0.593 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.6 | -30.8 | -170.2 | -61 | -165.9 | 162.3 | 0 | 0 | 116.2 | V115 P116 T121 | V115-E118 PolarHBondContact O-N 3.28Å; P116-E118 PolarHBondContact O-N 3.12Å; E118-T121 HydrophobicContact CB-CG2 4.2Å; E118-T121 PolarHBondContact OE2-OG1 3.27Å |
| 119 | G | 60.9 | Low | 68.3 | Low | 7 Ų | 7 | 63.9 Ų | 63.9 | 7% | 0.072 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 100.9 | -154.6 | -171.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | V115 T121 | V115-G119 WeakPolarHBondContact CB-O 3.31Å; V115-G119 PolarHBondContact N-O 3.38Å; V115-G119 PolarHBondContact O-N 3.43Å; G119-T121 PolarHBondContact O-N 3.22Å |
| 120 | C | 72.8 | Confident | 68.6 | Low | 5 Ų | 5 | 63.7 Ų | 63.7 | 3% | 0.034 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 53.8 | -167.9 | -49.5 | 0 | 0 | 0 | 0 | 112.8 | K38 N39 I40 C108 W112 L113 | K38-C120 VanDerWaalsContact O-CB 3.31Å; K38-C120 WeakPolarHBondContact O-CB 3.48Å; K38-C120 PolarHBondContact O-N 2.03Å; N39-C120 HydrophobicContact CB-CB 3.99Å; N39-C120 WeakPolarHBondContact CB-O 3.35Å; N39-C120 PolarHBondContact ND2-O 3.18Å; N39-C120 WeakPolarHBondContact O-CB 3.07Å; I40-C120 VanDerWaalsContact CG1-SG 3.57Å; C108-C120 WeakPolarHBondContact CA-SG 3.2Å; C108-C120 HydrophobicContact CB-CB 3.71Å; C108-C120 WeakPolarHBondContact CB-SG 3.33Å; C108-C120 WeakPolarHBondContact SG-CB 3.07Å; C108-C120 CovalentContact SG-SG 2.03Å; C108-C120 PolarHBondContact SG-SG 3.04Å; W112-C120 HydrophobicContact CB-CB 4.16Å; L113-C120 CarbonylContact O-C 3.56Å; L113-C120 WeakPolarHBondContact O-CA 3.44Å |
| 121 | T | 68.5 | Low | 68.2 | Low | 34 Ų | 34 | 62.3 Ų | 62.3 | 21% | 0.209 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | -14.2 | -174.5 | 49.9 | 0 | 0 | 0 | 0 | 114.4 | K38 V115 E118 G119 P123 | K38-T121 HydrophobicContact CB-CG2 4.3Å; K38-T121 HydrophobicContact CD-CG2 4.42Å; V115-T121 WeakPolarHBondContact CG2-OG1 3.47Å; E118-T121 HydrophobicContact CB-CG2 4.2Å; E118-T121 PolarHBondContact OE2-OG1 3.27Å; G119-T121 PolarHBondContact O-N 3.22Å; T121-P123 WeakPolarHBondContact O-CD 3.38Å |
| 122 | K | 72.4 | Confident | 68.1 | Low | 122 Ų | 122 | 65.7 Ų | 65.7 | 53% | 0.53 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 117.7 | -179.8 | -178.9 | 172.8 | -178.1 | 179.1 | 0 | 111.3 | W112 L113 V115 | W112-K122 WeakPolarHBondContact CA-O 3.4Å; L113-K122 HydrophobicContact CB-CB 4.28Å; L113-K122 PolarHBondContact N-O 2.95Å; L113-K122 PolarHBondContact O-N 3.48Å; V115-K122 HydrophobicContact CG2-CB 3.62Å |
| 123 | P | 66.2 | Low | 67.8 | Low | 19 Ų | 19 | 66.1 Ų | 66.1 | 12% | 0.123 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 150.3 | 171.8 | 29.3 | -34.3 | 0 | 0 | 0 | 111.2 | W112 T121 N138 L145 | W112-P123 HydrophobicContact CE3-CB 4.29Å; W112-P123 HydrophobicContact CH2-CB 4.45Å; W112-P123 HydrophobicContact CZ3-CB 4.01Å; W112-P123 HydrophobicContact CZ3-CG 4.49Å; T121-P123 WeakPolarHBondContact O-CD 3.38Å; P123-N138 HydrophobicContact CG-CB 4.38Å; P123-L145 HydrophobicContact CB-CD1 3.53Å |
| 124 | N | 71.9 | Confident | 67.8 | Low | 68 Ų | 68 | 63.7 Ų | 63.7 | 36% | 0.364 | 39% | 0.39 | S | S | . | . | trans | -133.9 | 81.2 | 177.9 | -173.2 | 28.8 | 0 | 0 | 0 | 110 | G111 L113 T126 | G111-N124 PolarHBondContact O-N 2.97Å; L113-N124 HydrophobicContact CD1-CB 3.8Å; L113-N124 HydrophobicContact CG-CB 3.89Å; N124-T126 PolarHBondContact O-N 3.04Å | ||
| 125 | C | 69 | Low | 67.9 | Low | 43 Ų | 43 | 66.4 Ų | 66.4 | 29% | 0.291 | 39% | 0.393 | S | S | . | . | trans | -65.9 | 91.2 | 176.8 | -69.4 | 0 | 0 | 0 | 0 | 112 | C136 N138 | C125-C136 WeakPolarHBondContact CA-SG 3.42Å; C125-C136 HydrophobicContact CB-CB 3.66Å; C125-C136 WeakPolarHBondContact CB-SG 3.49Å; C125-C136 VanDerWaalsContact SG-C 3.58Å; C125-C136 WeakPolarHBondContact SG-CB 3.33Å; C125-C136 CovalentContact SG-SG 2.03Å; C125-C136 PolarHBondContact SG-SG 3.29Å; C125-N138 PolarHBondContact SG-OD1 2.78Å; C125-N138 VanDerWaalsContact SG-OD1 3.34Å | ||
| 126 | T | 65.9 | Low | 68 | Low | 56 Ų | 56 | 65.4 Ų | 65.4 | 34% | 0.344 | 39% | 0.388 | S | S | . | . | trans | -81.4 | 158.2 | 160.8 | 54.9 | 0 | 0 | 0 | 0 | 110.5 | N124 D128 L129 | N124-T126 PolarHBondContact O-N 3.04Å; T126-D128 PolarHBondContact O-N 3.46Å; T126-L129 VanDerWaalsContact O-CB 3.31Å; T126-L129 WeakPolarHBondContact O-CB 3.48Å; T126-L129 PolarHBondContact O-N 2.86Å | ||
| 127 | S | 65.5 | Low | 68.3 | Low | 109 Ų | 109 | 61.1 Ų | 61.1 | 76% | 0.762 | 36% | 0.359 | S | S | * | . | G | 310 helix | trans | -53.6 | -37.9 | 179.5 | 45.8 | 0 | 0 | 0 | 0 | 113.2 | L129 | S127-L129 VanDerWaalsContact C-N 3.26Å; S127-L129 PolarHBondContact O-N 3.46Å |
| 128 | D | 63.2 | Low | 68.3 | Low | 110 Ų | 110 | 62.8 Ų | 62.8 | 59% | 0.588 | 35% | 0.353 | S | S | * | . | G | 310 helix | trans | -91.9 | 10.6 | -168.6 | -40.2 | -22.3 | 0 | 0 | 0 | 111.8 | T126 R156 | T126-D128 PolarHBondContact O-N 3.46Å; D128-R156 PolarHBondContact O-NH2 3.49Å; D128-R156 VanDerWaalsContact O-NH2 3.08Å |
| 129 | L | 73.1 | Confident | 67.9 | Low | 3 Ų | 3 | 61.8 Ų | 61.8 | 2% | 0.016 | 35% | 0.351 | C | S | . | . | G | 310 helix | trans | -78.3 | -33.5 | -172.1 | -165.5 | 63.2 | 0 | 0 | 0 | 113 | Y110 T126 S127 L145 R156 | Y110-L129 HydrophobicContact CD1-CD1 3.57Å; Y110-L129 HydrophobicContact CE1-CD1 3.63Å; T126-L129 VanDerWaalsContact O-CB 3.31Å; T126-L129 WeakPolarHBondContact O-CB 3.48Å; T126-L129 PolarHBondContact O-N 2.86Å; S127-L129 VanDerWaalsContact C-N 3.26Å; S127-L129 PolarHBondContact O-N 3.46Å; L129-L145 HydrophobicContact CD2-CD2 3.73Å; L129-L145 HydrophobicContact CD2-CG 4.1Å; L129-R156 VanDerWaalsContact O-CZ 3.29Å; L129-R156 PolarHBondContact O-NE 3.36Å; L129-R156 PolarHBondContact O-NH2 2.03Å; L129-R156 VanDerWaalsContact O-NH2 3.16Å |
| 130 | C | 73.8 | Confident | 67.5 | Low | 19 Ų | 19 | 68.8 Ų | 68.8 | 13% | 0.128 | 39% | 0.386 | C | S | . | . | S | Bend | trans | -115.3 | 126.5 | -177.3 | -54.6 | 0 | 0 | 0 | 0 | 110.7 | G134 C146 | C130-G134 WeakPolarHBondContact CB-O 3.4Å; C130-C146 VanDerWaalsContact CA-SG 3.55Å; C130-C146 HydrophobicContact CB-CB 3.85Å; C130-C146 WeakPolarHBondContact CB-SG 3.35Å; C130-C146 WeakPolarHBondContact SG-CB 3.19Å; C130-C146 CovalentContact SG-SG 2.04Å; C130-C146 PolarHBondContact SG-SG 3.2Å |
| 131 | Y | 65.2 | Low | 66.5 | Low | 123 Ų | 123 | 75 Ų | 75 | 48% | 0.482 | 42% | 0.424 | S | S | . | . | S | Bend | trans | -83.3 | 169 | 178 | -61.5 | -76.3 | 0 | 0 | 0 | 111.6 | G133 G134 R156 C157 Q158 | Y131-G133 PolarHBondContact O-N 3.05Å; Y131-G133 VanDerWaalsContact O-N 3.1Å; Y131-G134 PolarHBondContact O-N 2.03Å; Y131-R156 WeakPolarHBondContact CB-O 3.32Å; Y131-R156 HydrophobicContact CD2-CB 3.92Å; Y131-R156 WeakPolarHBondContact CD2-O 3.37Å; Y131-R156 HydrophobicContact CE2-CB 4.27Å; Y131-R156 PolarHBondContact N-O 3.13Å; Y131-C157 WeakPolarHBondContact O-CB 3.36Å; Y131-Q158 HydrophobicContact CD2-CB 4.48Å |
| 132 | N | 67.5 | Low | 65.4 | Low | 81 Ų | 81 | 75.9 Ų | 75.9 | 43% | 0.433 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.3 | 35.9 | 170.8 | -57.3 | -37 | 0 | 0 | 0 | 114.8 | G134 P149 F152 C157 | N132-G134 VanDerWaalsContact C-N 3.34Å; N132-G134 PolarHBondContact O-N 2.79Å; N132-P149 WeakPolarHBondContact O-CG 2.99Å; N132-F152 HydrophobicContact CB-CD1 3.6Å; N132-F152 HydrophobicContact CB-CE1 3.76Å; N132-F152 HydrophobicContact CB-CG 4.11Å; N132-F152 HydrophobicContact CB-CZ 4.39Å; N132-C157 PolarHBondContact ND2-O 3.42Å |
| 133 | G | 69.1 | Low | 64.3 | Low | 69 Ų | 69 | 75.9 Ų | 75.9 | 71% | 0.711 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.4 | 16.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115 | Y131 | Y131-G133 PolarHBondContact O-N 3.05Å; Y131-G133 VanDerWaalsContact O-N 3.1Å |
| 134 | G | 72.2 | Confident | 63.8 | Low | 14 Ų | 14 | 83.9 Ų | 83.9 | 14% | 0.144 | 47% | 0.474 | C | S | . | . | P | Polyproline II helix | trans | -63.8 | 139.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | C130 Y131 N132 H147 | C130-G134 WeakPolarHBondContact CB-O 3.4Å; Y131-G134 PolarHBondContact O-N 2.03Å; N132-G134 VanDerWaalsContact C-N 3.34Å; N132-G134 PolarHBondContact O-N 2.79Å; G134-H147 CarbonylContact C-O 3.31Å; G134-H147 WeakPolarHBondContact CA-O 3.39Å |
| 135 | F | 72.7 | Confident | 63.6 | Low | 148 Ų | 148 | 81.8 Ų | 81.8 | 65% | 0.649 | 46% | 0.463 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97 | 131 | -179.9 | -174 | -104.7 | 0 | 0 | 0 | 111.2 | T137 H147 | F135-T137 HydrophobicContact CD1-CG2 3.75Å; F135-T137 HydrophobicContact CE1-CG2 3.92Å; F135-H147 PolarHBondContact N-O 3.33Å; F135-H147 PolarHBondContact O-N 3.44Å |
| 136 | C | 70.8 | Confident | 63.9 | Low | 26 Ų | 26 | 80.1 Ų | 80.1 | 18% | 0.176 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 128 | -179.5 | -167.5 | 0 | 0 | 0 | 0 | 111.5 | C125 L145 | C125-C136 WeakPolarHBondContact CA-SG 3.42Å; C125-C136 HydrophobicContact CB-CB 3.66Å; C125-C136 WeakPolarHBondContact CB-SG 3.49Å; C125-C136 VanDerWaalsContact SG-C 3.58Å; C125-C136 WeakPolarHBondContact SG-CB 3.33Å; C125-C136 CovalentContact SG-SG 2.03Å; C125-C136 PolarHBondContact SG-SG 3.29Å; C136-L145 WeakPolarHBondContact CA-O 3.2Å |
| 137 | T | 67.8 | Low | 64.3 | Low | 33 Ų | 33 | 81.8 Ų | 81.8 | 20% | 0.202 | 46% | 0.455 | C | S | . | . | trans | -118.3 | 124 | -177.4 | 50.5 | 0 | 0 | 0 | 0 | 111.6 | F135 D139 L145 H147 | F135-T137 HydrophobicContact CD1-CG2 3.75Å; F135-T137 HydrophobicContact CE1-CG2 3.92Å; T137-D139 PolarHBondContact O-N 3.35Å; T137-L145 PolarHBondContact N-O 2.04Å; T137-H147 PolarHBondContact OG1-CE1 2.97Å; T137-H147 PolarHBondContact OG1-ND1 3.18Å | ||
| 138 | N | 60.7 | Low | 64.6 | Low | 103 Ų | 103 | 78.8 Ų | 78.8 | 55% | 0.551 | 43% | 0.434 | S | S | * | . | trans | -78.6 | 12.7 | 174.1 | -72.6 | -35.6 | 0 | 0 | 0 | 113.7 | P123 C125 L140 | P123-N138 HydrophobicContact CG-CB 4.38Å; C125-N138 PolarHBondContact SG-OD1 2.78Å; C125-N138 VanDerWaalsContact SG-OD1 3.34Å; N138-L140 PolarHBondContact O-N 3.23Å | ||
| 139 | D | 56.5 | Low | 65.1 | Low | 106 Ų | 106 | 75.6 Ų | 75.6 | 57% | 0.567 | 42% | 0.419 | S | S | * | . | trans | -80.9 | 113.7 | -170.2 | -161.5 | -18.4 | 0 | 0 | 0 | 111.6 | T137 V141 S142 | T137-D139 PolarHBondContact O-N 3.35Å; D139-V141 PolarHBondContact O-N 3.29Å; D139-S142 PolarHBondContact O-N 3.45Å; D139-S142 VanDerWaalsContact O-N 3.16Å | ||
| 140 | L | 52.4 | Low | 65.1 | Low | 153 Ų | 153 | 81.8 Ų | 81.8 | 80% | 0.801 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -14.6 | -168.5 | -70.3 | 165.7 | 0 | 0 | 0 | 114.2 | N138 | N138-L140 PolarHBondContact O-N 3.23Š|
| 141 | V | 51.4 | Low | 64.6 | Low | 137 Ų | 137 | 83 Ų | 83 | 83% | 0.83 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -27.6 | 179.8 | -171.4 | 0 | 0 | 0 | 0 | 112 | D139 | D139-V141 PolarHBondContact O-N 3.29Š|
| 142 | S | 45 | Very low | 64.6 | Low | 51 Ų | 51 | 80.7 Ų | 80.7 | 36% | 0.357 | 47% | 0.467 | S | S | . | . | trans | -96.2 | 123.7 | -178.7 | -173 | 0 | 0 | 0 | 0 | 111.9 | D139 R144 | D139-S142 PolarHBondContact O-N 3.45Å; D139-S142 VanDerWaalsContact O-N 3.16Å; S142-R144 PolarHBondContact O-N 3.15Å; S142-R144 PolarHBondContact OG-N 3.04Å | ||
| 143 | S | 50.7 | Low | 64.5 | Low | 122 Ų | 122 | 82.4 Ų | 82.4 | 85% | 0.853 | 47% | 0.473 | S | S | * | . | S | Bend | trans | -74.3 | 3.8 | 172.8 | 54.8 | 0 | 0 | 0 | 0 | 114 | ||
| 144 | R | 55.7 | Low | 63.8 | Low | 188 Ų | 188 | 80.8 Ų | 80.8 | 71% | 0.709 | 46% | 0.456 | S | S | * | . | trans | -111.2 | 113 | 176.3 | -71.2 | -176.3 | 174.5 | -178.6 | -0.9 | 111.1 | S142 | S142-R144 PolarHBondContact O-N 3.15Å; S142-R144 PolarHBondContact OG-N 3.04Å | ||
| 145 | L | 68.4 | Low | 63.6 | Low | 24 Ų | 24 | 85.8 Ų | 85.8 | 13% | 0.126 | 48% | 0.484 | C | S | . | . | S | Bend | trans | -71 | -35.7 | -177.2 | -172.6 | 54 | 0 | 0 | 0 | 113.4 | W112 P123 L129 C136 T137 | W112-L145 HydrophobicContact CZ2-CB 4.41Å; W112-L145 HydrophobicContact CZ2-CD2 4.04Å; P123-L145 HydrophobicContact CB-CD1 3.53Å; L129-L145 HydrophobicContact CD2-CD2 3.73Å; L129-L145 HydrophobicContact CD2-CG 4.1Å; C136-L145 WeakPolarHBondContact CA-O 3.2Å; T137-L145 PolarHBondContact N-O 2.04Å |
| 146 | C | 74.5 | Confident | 63.7 | Low | 7 Ų | 7 | 81.7 Ų | 81.7 | 5% | 0.047 | 46% | 0.464 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 129.4 | 175.2 | -64.3 | 0 | 0 | 0 | 0 | 110.9 | C130 | C130-C146 VanDerWaalsContact CA-SG 3.55Å; C130-C146 HydrophobicContact CB-CB 3.85Å; C130-C146 WeakPolarHBondContact CB-SG 3.35Å; C130-C146 WeakPolarHBondContact SG-CB 3.19Å; C130-C146 CovalentContact SG-SG 2.04Å; C130-C146 PolarHBondContact SG-SG 3.2Å |
| 147 | H | 74.1 | Confident | 63.8 | Low | 91 Ų | 91 | 80.5 Ų | 80.5 | 42% | 0.421 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 120.2 | 168.2 | -76.6 | 81.5 | 0 | 0 | 0 | 109.8 | G134 F135 T137 | G134-H147 CarbonylContact C-O 3.31Å; G134-H147 WeakPolarHBondContact CA-O 3.39Å; F135-H147 PolarHBondContact N-O 3.33Å; F135-H147 PolarHBondContact O-N 3.44Å; T137-H147 PolarHBondContact OG1-CE1 2.97Å; T137-H147 PolarHBondContact OG1-ND1 3.18Å |
| 148 | C | 71.5 | Confident | 63.6 | Low | 46 Ų | 46 | 82.2 Ų | 82.2 | 31% | 0.311 | 46% | 0.461 | S | S | . | . | P | Polyproline II helix | trans | -94.1 | 143.2 | -172 | -51.7 | 0 | 0 | 0 | 0 | 112.8 | F152 C157 | C148-F152 HydrophobicContact CB-CB 4.36Å; C148-F152 WeakPolarHBondContact CB-O 2.98Å; C148-C157 WeakPolarHBondContact CA-SG 3.05Å; C148-C157 HydrophobicContact CB-CB 3.7Å; C148-C157 WeakPolarHBondContact CB-SG 3.29Å; C148-C157 WeakPolarHBondContact SG-CA 3.3Å; C148-C157 WeakPolarHBondContact SG-CB 3.04Å; C148-C157 CovalentContact SG-SG 2.04Å; C148-C157 PolarHBondContact SG-SG 2.93Å |
| 149 | P | 74.8 | Confident | 63.5 | Low | 43 Ų | 43 | 84 Ų | 84 | 28% | 0.279 | 46% | 0.462 | S | S | . | . | P | Polyproline II helix | trans | -62.3 | 153.7 | 170.5 | -22.8 | 35.1 | 0 | 0 | 0 | 112.2 | N132 G151 F152 | N132-P149 WeakPolarHBondContact O-CG 2.99Å; P149-G151 PolarHBondContact O-N 3.09Å; P149-F152 HydrophobicContact CB-CD2 4.3Å; P149-F152 PolarHBondContact O-N 3.39Å |
| 150 | P | 72.8 | Confident | 63.3 | Low | 134 Ų | 134 | 80.6 Ų | 80.6 | 87% | 0.87 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52 | 132.9 | 177.8 | -27.8 | 35.8 | 0 | 0 | 0 | 112.8 | ||
| 151 | G | 63.5 | Low | 63.3 | Low | 43 Ų | 43 | 77.6 Ų | 77.6 | 44% | 0.443 | 44% | 0.441 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.6 | -15.9 | -175 | 0 | 0 | 0 | 0 | 0 | 115 | P149 G160 P161 | P149-G151 PolarHBondContact O-N 3.09Å; G151-G160 CarbonylContact O-C 3.55Å; G151-G160 VanDerWaalsContact O-C 3.31Å; G151-P161 VanDerWaalsContact O-CD 3.3Å; G151-P161 WeakPolarHBondContact O-CD 3.46Å; G151-P161 VanDerWaalsContact O-N 3.12Å |
| 152 | F | 64.9 | Low | 62.9 | Low | 75 Ų | 75 | 82.6 Ų | 82.6 | 33% | 0.329 | 45% | 0.445 | S | S | . | . | trans | -102 | 143.4 | 176.3 | -66.5 | -89.4 | 0 | 0 | 0 | 112.7 | N132 C148 P149 Y159 | N132-F152 HydrophobicContact CB-CD1 3.6Å; N132-F152 HydrophobicContact CB-CE1 3.76Å; N132-F152 HydrophobicContact CB-CG 4.11Å; N132-F152 HydrophobicContact CB-CZ 4.39Å; C148-F152 HydrophobicContact CB-CB 4.36Å; C148-F152 WeakPolarHBondContact CB-O 2.98Å; P149-F152 HydrophobicContact CB-CD2 4.3Å; P149-F152 PolarHBondContact O-N 3.39Å; F152-Y159 CarbonylContact C-O 3.42Å; F152-Y159 VanDerWaalsContact CA-O 3.23Å; F152-Y159 WeakPolarHBondContact CA-O 3.48Å | ||
| 153 | Q | 64.4 | Low | 62.3 | Low | 118 Ų | 118 | 87.1 Ų | 87.1 | 55% | 0.551 | 47% | 0.47 | S | S | * | . | B | Isolated β-bridge | trans | -147.2 | 167.3 | -173.3 | 63.5 | -174.5 | -40.6 | 0 | 0 | 113.1 | C157 Q158 Y159 | Q153-C157 CarbonylContact O-C 3.23Å; Q153-C157 VanDerWaalsContact O-C 3.31Å; Q153-Q158 PolarHBondContact O-N 3.21Å; Q153-Y159 HydrophobicContact CG-CD2 4.41Å; Q153-Y159 PolarHBondContact N-O 2.04Å; Q153-Y159 WeakPolarHBondContact O-CD2 3.43Å; Q153-Y159 PolarHBondContact O-N 3.35Å |
| 154 | G | 55.4 | Low | 61.3 | Low | 34 Ų | 34 | 89.9 Ų | 89.9 | 35% | 0.351 | 47% | 0.469 | S | S | . | . | S | Bend | trans | 102.2 | 158.4 | -171 | 0 | 0 | 0 | 0 | 0 | 112.3 | R156 C157 | G154-R156 PolarHBondContact O-N 3.4Å; G154-R156 VanDerWaalsContact O-N 3.15Å; G154-C157 PolarHBondContact O-N 3.36Å |
| 155 | T | 68.3 | Low | 59.9 | Low | 120 Ų | 120 | 87.1 Ų | 87.1 | 74% | 0.736 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -21 | -173.9 | 47.4 | 0 | 0 | 0 | 0 | 114.7 | ||
| 156 | R | 73.1 | Confident | 57.9 | Low | 62 Ų | 62 | 89 Ų | 89 | 23% | 0.234 | 51% | 0.505 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -122.6 | 24.8 | 172.1 | -62.6 | 176.2 | 64.9 | 168.3 | -2 | 111.2 | D128 L129 Y131 G154 Q158 | D128-R156 PolarHBondContact O-NH2 3.49Å; D128-R156 VanDerWaalsContact O-NH2 3.08Å; L129-R156 VanDerWaalsContact O-CZ 3.29Å; L129-R156 PolarHBondContact O-NE 3.36Å; L129-R156 PolarHBondContact O-NH2 2.03Å; L129-R156 VanDerWaalsContact O-NH2 3.16Å; Y131-R156 WeakPolarHBondContact CB-O 3.32Å; Y131-R156 HydrophobicContact CD2-CB 3.92Å; Y131-R156 WeakPolarHBondContact CD2-O 3.37Å; Y131-R156 HydrophobicContact CE2-CB 4.27Å; Y131-R156 PolarHBondContact N-O 3.13Å; G154-R156 PolarHBondContact O-N 3.4Å; G154-R156 VanDerWaalsContact O-N 3.15Å; R156-Q158 VanDerWaalsContact C-N 3.29Å; R156-Q158 PolarHBondContact O-N 3.48Å |
| 157 | C | 72.9 | Confident | 55.5 | Low | 0 Ų | 0 | 95.6 Ų | 95.6 | 0% | 0 | 55% | 0.545 | C | S | . | . | S | Bend | trans | 61.6 | 25.3 | 177.1 | -48.3 | 0 | 0 | 0 | 0 | 115.8 | Y131 N132 C148 Q153 G154 Y159 | Y131-C157 WeakPolarHBondContact O-CB 3.36Å; N132-C157 PolarHBondContact ND2-O 3.42Å; C148-C157 WeakPolarHBondContact CA-SG 3.05Å; C148-C157 HydrophobicContact CB-CB 3.7Å; C148-C157 WeakPolarHBondContact CB-SG 3.29Å; C148-C157 WeakPolarHBondContact SG-CA 3.3Å; C148-C157 WeakPolarHBondContact SG-CB 3.04Å; C148-C157 CovalentContact SG-SG 2.04Å; C148-C157 PolarHBondContact SG-SG 2.93Å; Q153-C157 CarbonylContact O-C 3.23Å; Q153-C157 VanDerWaalsContact O-C 3.31Å; G154-C157 PolarHBondContact O-N 3.36Å; C157-Y159 PolarHBondContact O-N 3.11Å |
| 158 | Q | 64.7 | Low | 53.1 | Low | 69 Ų | 69 | 97.5 Ų | 97.5 | 32% | 0.322 | 56% | 0.563 | S | S | . | * | trans | -73.6 | -16.8 | -166.8 | 66.9 | -88.5 | 19.8 | 0 | 0 | 116.5 | Y131 Q153 R156 | Y131-Q158 HydrophobicContact CD2-CB 4.48Å; Q153-Q158 PolarHBondContact O-N 3.21Å; R156-Q158 VanDerWaalsContact C-N 3.29Å; R156-Q158 PolarHBondContact O-N 3.48Å | ||
| 159 | Y | 58 | Low | 50.8 | Low | 141 Ų | 141 | 107.3 Ų | 107.3 | 55% | 0.553 | 59% | 0.593 | S | S | * | * | B | Isolated β-bridge | trans | -110.2 | 136.5 | -176.2 | -47.9 | -63.5 | 0 | 0 | 0 | 112 | F152 Q153 C157 | F152-Y159 CarbonylContact C-O 3.42Å; F152-Y159 VanDerWaalsContact CA-O 3.23Å; F152-Y159 WeakPolarHBondContact CA-O 3.48Å; Q153-Y159 HydrophobicContact CG-CD2 4.41Å; Q153-Y159 PolarHBondContact N-O 2.04Å; Q153-Y159 WeakPolarHBondContact O-CD2 3.43Å; Q153-Y159 PolarHBondContact O-N 3.35Å; C157-Y159 PolarHBondContact O-N 3.11Å |
| 160 | G | 52.4 | Low | 48.3 | Very low | 34 Ų | 34 | 110.9 Ų | 110.9 | 35% | 0.351 | 61% | 0.614 | S | S | . | * | trans | -94.8 | -177.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | G151 | G151-G160 CarbonylContact O-C 3.55Å; G151-G160 VanDerWaalsContact O-C 3.31Å | ||
| 161 | P | 53 | Low | 46.1 | Very low | 90 Ų | 90 | 111 Ų | 111 | 58% | 0.584 | 61% | 0.612 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 147.8 | -174.9 | 30.5 | -34.1 | 0 | 0 | 0 | 113.2 | G151 | G151-P161 VanDerWaalsContact O-CD 3.3Å; G151-P161 WeakPolarHBondContact O-CD 3.46Å; G151-P161 VanDerWaalsContact O-N 3.12Å |
| 162 | R | 42.3 | Very low | 44.3 | Very low | 243 Ų | 243 | 114.2 Ų | 114.2 | 92% | 0.917 | 63% | 0.627 | S | S | * | * | P | Polyproline II helix | trans | -93.2 | 132.2 | 176.6 | -69.5 | -176.8 | 175.4 | 179.7 | -1.4 | 111.5 | ||
| 163 | V | 32.8 | Very low | 42.4 | Very low | 145 Ų | 145 | 120.4 Ų | 120.4 | 88% | 0.879 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 146.9 | 177.8 | 180 | 0 | 0 | 0 | 0 | 111.4 | ||
| 164 | Q | 29.1 | Very low | 41 | Very low | 180 Ų | 180 | 121.9 Ų | 121.9 | 84% | 0.841 | 66% | 0.664 | S | S | * | * | trans | -113.5 | 128.5 | 177.5 | -62 | 179.3 | -6.2 | 0 | 0 | 112 | ||||
| 165 | S | 26.8 | Very low | 40 | Very low | 130 Ų | 130 | 126.1 Ų | 126.1 | 91% | 0.909 | 68% | 0.684 | S | S | * | * | trans | -171.1 | 153.2 | 160.3 | -93.2 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 166 | G | 26 | Very low | 39 | Very low | 65 Ų | 65 | 128 Ų | 128 | 67% | 0.67 | 69% | 0.689 | S | S | * | * | trans | 86.3 | 66.5 | 135.2 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 167 | T | 24.1 | Very low | 37.6 | Very low | 144 Ų | 144 | 127.6 Ų | 127.6 | 88% | 0.883 | 69% | 0.691 | S | S | * | * | trans | 19.5 | 102 | 138.4 | 53.3 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 168 | V | 23.7 | Very low | 37.2 | Very low | 132 Ų | 132 | 132.7 Ų | 132.7 | 80% | 0.8 | 72% | 0.722 | S | S | * | * | trans | -141.5 | 141.2 | 141.4 | -178.3 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 169 | R | 23.3 | Very low | 37.4 | Very low | 251 Ų | 251 | 131.8 Ų | 131.8 | 95% | 0.947 | 72% | 0.719 | S | S | * | * | trans | -125.1 | 83.3 | 174 | -93.2 | -174.6 | 166.3 | 177.9 | -3.6 | 110.7 | ||||
| 170 | T | 23.6 | Very low | 38.4 | Very low | 119 Ų | 119 | 127.8 Ų | 127.8 | 73% | 0.73 | 71% | 0.705 | S | S | * | * | trans | -143.1 | 131.7 | 169 | -32.1 | 0 | 0 | 0 | 0 | 111.8 | C172 | T170-C172 PolarHBondContact O-N 3.27Å; T170-C172 VanDerWaalsContact O-N 3.13Å | ||
| 171 | V | 25 | Very low | 39.8 | Very low | 135 Ų | 135 | 127.4 Ų | 127.4 | 82% | 0.818 | 70% | 0.697 | S | S | * | * | trans | -12.9 | 93 | 173.8 | -168.3 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 172 | C | 25.8 | Very low | 41 | Very low | 112 Ų | 112 | 130 Ų | 130 | 76% | 0.757 | 71% | 0.705 | S | S | * | * | trans | -138.4 | 89.9 | 141.1 | -96.9 | 0 | 0 | 0 | 0 | 108 | T170 L174 | T170-C172 PolarHBondContact O-N 3.27Å; T170-C172 VanDerWaalsContact O-N 3.13Å; C172-L174 PolarHBondContact O-N 3.36Å | ||
| 173 | K | 25.9 | Very low | 42.5 | Very low | 205 Ų | 205 | 123.2 Ų | 123.2 | 89% | 0.891 | 69% | 0.691 | S | S | * | * | trans | -82.8 | 31.8 | -177.6 | -150.6 | -174.5 | -178.4 | -174.9 | 0 | 112.7 | T175 | K173-T175 PolarHBondContact O-N 3.49Š| ||
| 174 | L | 34.1 | Very low | 44.3 | Very low | 148 Ų | 148 | 123 Ų | 123 | 78% | 0.775 | 69% | 0.685 | S | S | * | * | trans | -76.1 | 99.8 | 160.3 | -78.3 | 164.5 | 0 | 0 | 0 | 106.3 | C172 L176 | C172-L174 PolarHBondContact O-N 3.36Å; L174-L176 PolarHBondContact O-N 3.33Å | ||
| 175 | T | 36.1 | Very low | 46.7 | Very low | 124 Ų | 124 | 117.6 Ų | 117.6 | 76% | 0.761 | 66% | 0.662 | S | S | * | * | trans | -53.2 | 114.7 | 163.7 | 39 | 0 | 0 | 0 | 0 | 107.6 | K173 D177 | K173-T175 PolarHBondContact O-N 3.49Å; T175-D177 PolarHBondContact O-N 2.04Å; T175-D177 VanDerWaalsContact O-N 3.15Å | ||
| 176 | L | 47.2 | Very low | 48.9 | Very low | 160 Ų | 160 | 111.7 Ų | 111.7 | 84% | 0.838 | 62% | 0.621 | S | S | * | * | trans | -53 | 122.9 | 173.4 | -92.5 | 161 | 0 | 0 | 0 | 108.1 | L174 V178 | L174-L176 PolarHBondContact O-N 3.33Å; L176-V178 VanDerWaalsContact O-CG2 3.27Å; L176-V178 WeakPolarHBondContact O-CG2 3.45Å; L176-V178 PolarHBondContact O-N 2.84Å | ||
| 177 | D | 43.8 | Very low | 51.4 | Low | 52 Ų | 52 | 109.9 Ų | 109.9 | 28% | 0.278 | 60% | 0.602 | S | S | . | * | trans | -51.6 | 109.4 | -178 | -174.9 | 40.1 | 0 | 0 | 0 | 110.5 | T175 N179 N194 T195 G197 | T175-D177 PolarHBondContact O-N 2.04Å; T175-D177 VanDerWaalsContact O-N 3.15Å; D177-N179 PolarHBondContact O-N 3.38Å; D177-N194 PolarHBondContact OD2-ND2 3.24Å; D177-T195 VanDerWaalsContact OD1-O 3.04Å; D177-G197 PolarHBondContact OD1-N 3.15Å | ||
| 178 | V | 64.7 | Low | 54.4 | Low | 107 Ų | 107 | 103.5 Ų | 103.5 | 65% | 0.648 | 56% | 0.563 | S | S | * | * | trans | -84.7 | 68.2 | -171.7 | -173 | 0 | 0 | 0 | 0 | 108.3 | L176 E180 | L176-V178 VanDerWaalsContact O-CG2 3.27Å; L176-V178 WeakPolarHBondContact O-CG2 3.45Å; L176-V178 PolarHBondContact O-N 2.84Å; V178-E180 VanDerWaalsContact O-CG 3.28Å; V178-E180 WeakPolarHBondContact O-CG 3.01Å; V178-E180 PolarHBondContact O-N 2.94Å | ||
| 179 | N | 68.4 | Low | 57.2 | Low | 51 Ų | 51 | 102.5 Ų | 102.5 | 27% | 0.273 | 55% | 0.55 | S | S | . | . | trans | -45.8 | 96.3 | -169.1 | 179.4 | -24.1 | 0 | 0 | 0 | 112.9 | D177 C181 L182 N194 | D177-N179 PolarHBondContact O-N 3.38Å; N179-C181 PolarHBondContact O-N 3.28Å; N179-C181 WeakPolarHBondContact OD1-CB 3.45Å; N179-C181 PolarHBondContact OD1-N 3.31Å; N179-L182 HydrophobicContact CB-CD1 4.18Å; N179-L182 HydrophobicContact CB-CG 4.3Å; N179-L182 WeakPolarHBondContact O-CB 3.32Å; N179-L182 PolarHBondContact O-N 3.02Å; N179-L182 PolarHBondContact OD1-N 3.38Å; N179-N194 VanDerWaalsContact CA-OD1 3.24Å; N179-N194 WeakPolarHBondContact CA-OD1 3.49Å | ||
| 180 | E | 78.9 | Confident | 60.3 | Low | 56 Ų | 56 | 91.4 Ų | 91.4 | 26% | 0.262 | 51% | 0.509 | S | S | . | . | G | 310 helix | trans | -73.1 | -18.9 | -169.9 | -60.9 | 89.5 | 158.5 | 0 | 0 | 110.8 | V178 L182 V183 G186 F199 | V178-E180 VanDerWaalsContact O-CG 3.28Å; V178-E180 WeakPolarHBondContact O-CG 3.01Å; V178-E180 PolarHBondContact O-N 2.94Å; E180-L182 PolarHBondContact O-N 3.14Å; E180-L182 VanDerWaalsContact O-N 3.16Å; E180-V183 CarbonylContact O-C 3.46Å; E180-V183 WeakPolarHBondContact O-CA 3.36Å; E180-V183 PolarHBondContact O-N 3.28Å; E180-G186 VanDerWaalsContact O-CA 3.31Å; E180-G186 WeakPolarHBondContact O-CA 3.48Å; E180-G186 PolarHBondContact O-N 3.35Å; E180-F199 HydrophobicContact CB-CB 4.48Å; E180-F199 HydrophobicContact CB-CD1 3.47Å; E180-F199 VanDerWaalsContact CB-CD1 3.47Å; E180-F199 HydrophobicContact CB-CE1 3.75Å; E180-F199 HydrophobicContact CB-CG 3.95Å; E180-F199 HydrophobicContact CB-CZ 4.45Å; E180-F199 VanDerWaalsContact CD-CD1 3.42Å; E180-F199 HydrophobicContact CG-CD1 3.66Å; E180-F199 HydrophobicContact CG-CE1 3.84Å; E180-F199 WeakPolarHBondContact OE2-CD1 3.05Å |
| 181 | C | 82.1 | Confident | 63 | Low | 26 Ų | 26 | 87.9 Ų | 87.9 | 18% | 0.176 | 49% | 0.485 | C | S | . | . | G | 310 helix | trans | -63.2 | -18.2 | 171.4 | -53.8 | 0 | 0 | 0 | 0 | 113 | N179 V183 C192 N194 | N179-C181 PolarHBondContact O-N 3.28Å; N179-C181 WeakPolarHBondContact OD1-CB 3.45Å; N179-C181 PolarHBondContact OD1-N 3.31Å; C181-V183 VanDerWaalsContact C-N 3.34Å; C181-C192 WeakPolarHBondContact CA-SG 3.48Å; C181-C192 HydrophobicContact CB-CB 3.61Å; C181-C192 WeakPolarHBondContact CB-SG 3.4Å; C181-C192 WeakPolarHBondContact SG-CB 3.02Å; C181-C192 CovalentContact SG-SG 2.03Å; C181-C192 PolarHBondContact SG-SG 3.37Å; C181-N194 PolarHBondContact SG-N 3.3Å; C181-N194 VanDerWaalsContact SG-N 3.42Å |
| 182 | L | 77.3 | Confident | 65.9 | Low | 145 Ų | 145 | 82.5 Ų | 82.5 | 76% | 0.759 | 45% | 0.454 | S | S | * | . | G | 310 helix | trans | -82.7 | -10.7 | 169 | -58 | 178.6 | 0 | 0 | 0 | 113.4 | N179 E180 | N179-L182 HydrophobicContact CB-CD1 4.18Å; N179-L182 HydrophobicContact CB-CG 4.3Å; N179-L182 WeakPolarHBondContact O-CB 3.32Å; N179-L182 PolarHBondContact O-N 3.02Å; N179-L182 PolarHBondContact OD1-N 3.38Å; E180-L182 PolarHBondContact O-N 3.14Å; E180-L182 VanDerWaalsContact O-N 3.16Å |
| 183 | V | 73.7 | Confident | 68.5 | Low | 100 Ų | 100 | 79.1 Ų | 79.1 | 61% | 0.606 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.2 | 96.3 | -177.7 | -174.5 | 0 | 0 | 0 | 0 | 108.9 | E180 C181 N185 G186 | E180-V183 CarbonylContact O-C 3.46Å; E180-V183 WeakPolarHBondContact O-CA 3.36Å; E180-V183 PolarHBondContact O-N 3.28Å; C181-V183 VanDerWaalsContact C-N 3.34Å; V183-N185 PolarHBondContact O-N 3.32Å; V183-G186 PolarHBondContact O-N 3.4Å |
| 184 | D | 71.7 | Confident | 70.7 | Confident | 142 Ų | 142 | 71.5 Ų | 71.5 | 76% | 0.759 | 40% | 0.396 | S | S | * | . | G | 310 helix | trans | 57 | 32.5 | -179 | -161.8 | 42.6 | 0 | 0 | 0 | 113.9 | G186 G187 | D184-G186 PolarHBondContact O-N 2.79Å; D184-G187 WeakPolarHBondContact O-CA 3.03Å; D184-G187 PolarHBondContact O-N 3.02Å |
| 185 | N | 77.8 | Confident | 72.4 | Confident | 66 Ų | 66 | 67 Ų | 67 | 35% | 0.353 | 38% | 0.375 | S | S | . | . | G | 310 helix | trans | 56.2 | 32.4 | -174.6 | -168.9 | 49.5 | 0 | 0 | 0 | 112.4 | V183 G187 C188 H190 C192 | V183-N185 PolarHBondContact O-N 3.32Å; N185-G187 PolarHBondContact O-N 2.91Å; N185-G187 VanDerWaalsContact O-N 3.1Å; N185-C188 PolarHBondContact ND2-O 2.7Å; N185-C188 WeakPolarHBondContact O-CB 3.05Å; N185-C188 PolarHBondContact O-N 3.4Å; N185-C188 PolarHBondContact O-SG 3.17Å; N185-C188 VanDerWaalsContact O-SG 3.34Å; N185-H190 PolarHBondContact ND2-O 2.02Å; N185-C192 VanDerWaalsContact O-CB 3.27Å; N185-C192 WeakPolarHBondContact O-CB 3.41Å; N185-C192 PolarHBondContact O-SG 3.49Å; N185-C192 WeakPolarHBondContact OD1-CB 3.04Å |
| 186 | G | 74.3 | Confident | 73.8 | Confident | 5 Ų | 5 | 68.9 Ų | 68.9 | 5% | 0.052 | 38% | 0.379 | C | S | . | . | G | 310 helix | trans | 66.2 | 4.5 | -170.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | E180 V183 D184 C188 F199 K214 | E180-G186 VanDerWaalsContact O-CA 3.31Å; E180-G186 WeakPolarHBondContact O-CA 3.48Å; E180-G186 PolarHBondContact O-N 3.35Å; V183-G186 PolarHBondContact O-N 3.4Å; D184-G186 PolarHBondContact O-N 2.79Å; G186-C188 VanDerWaalsContact C-N 3.3Å; G186-F199 WeakPolarHBondContact O-CE2 3.46Å; G186-F199 WeakPolarHBondContact O-CZ 3.34Å; G186-K214 WeakPolarHBondContact O-CE 3.43Å; G186-K214 PolarHBondContact O-NZ 2.04Å |
| 187 | G | 78.5 | Confident | 74.8 | Confident | 27 Ų | 27 | 64 Ų | 64 | 28% | 0.278 | 37% | 0.367 | S | S | . | . | G | 310 helix | trans | 75.1 | 11.6 | -162.4 | 0 | 0 | 0 | 0 | 0 | 114 | D184 N185 K214 | D184-G187 WeakPolarHBondContact O-CA 3.03Å; D184-G187 PolarHBondContact O-N 3.02Å; N185-G187 PolarHBondContact O-N 2.91Å; N185-G187 VanDerWaalsContact O-N 3.1Å; G187-K214 WeakPolarHBondContact O-CB 3.44Å |
| 188 | C | 86 | Confident | 76.4 | Confident | 10 Ų | 10 | 65 Ų | 65 | 7% | 0.068 | 38% | 0.375 | C | S | . | . | trans | -69.8 | 136.2 | 177.5 | -59.1 | 0 | 0 | 0 | 0 | 111.7 | N185 G186 C192 C201 | N185-C188 PolarHBondContact ND2-O 2.7Å; N185-C188 WeakPolarHBondContact O-CB 3.05Å; N185-C188 PolarHBondContact O-N 3.4Å; N185-C188 PolarHBondContact O-SG 3.17Å; N185-C188 VanDerWaalsContact O-SG 3.34Å; G186-C188 VanDerWaalsContact C-N 3.3Å; C188-C192 HydrophobicContact CB-CB 4.01Å; C188-C192 VanDerWaalsContact SG-CB 3.55Å; C188-C201 WeakPolarHBondContact CA-SG 3.37Å; C188-C201 HydrophobicContact CB-CB 3.61Å; C188-C201 WeakPolarHBondContact CB-SG 3.26Å; C188-C201 WeakPolarHBondContact SG-CA 3.27Å; C188-C201 WeakPolarHBondContact SG-CB 3.21Å; C188-C201 CovalentContact SG-SG 2.02Å; C188-C201 PolarHBondContact SG-SG 2.77Å | ||
| 189 | H | 83.4 | Confident | 77.3 | Confident | 111 Ų | 111 | 62 Ų | 62 | 51% | 0.514 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -76.5 | -26.9 | 176.6 | -179.5 | -133.2 | 0 | 0 | 0 | 113.3 | K214 C216 | H189-K214 WeakPolarHBondContact CB-O 3.42Å; H189-K214 PolarHBondContact N-O 3.39Å; H189-C216 HydrophobicContact CB-CB 4.37Å; H189-C216 PolarHBondContact ND1-N 3.46Å; H189-C216 PolarHBondContact ND1-O 2.97Å |
| 190 | H | 88.2 | Confident | 78.3 | Confident | 19 Ų | 19 | 65.2 Ų | 65.2 | 9% | 0.088 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -121.1 | -134.3 | 172 | -69 | 151.7 | 0 | 0 | 0 | 109.3 | N185 C192 R202 W204 F207 C216 | N185-H190 PolarHBondContact ND2-O 2.02Å; H190-C192 PolarHBondContact O-N 2.02Å; H190-R202 VanDerWaalsContact CB-O 3.29Å; H190-R202 WeakPolarHBondContact CB-O 3.44Å; H190-W204 HydrophobicContact CB-CD2 4.47Å; H190-W204 HydrophobicContact CB-CG 4.3Å; H190-W204 AromaticContact CD2-CD2 3.69Å; H190-W204 AromaticContact CD2-CE2 3.86Å; H190-W204 AromaticContact CD2-CE3 3.86Å; H190-W204 AromaticContact CG-CD2 3.98Å; H190-W204 AromaticContact CG-CG 3.97Å; H190-W204 PolarHBondContact ND1-N 2.79Å; H190-W204 AromaticContact NE2-CD2 3.99Å; H190-W204 AromaticContact NE2-CE3 3.8Å; H190-F207 AromaticContact CE1-CD1 3.96Å; H190-F207 AromaticContact CE1-CD2 3.88Å; H190-F207 AromaticContact CE1-CG 3.65Å; H190-C216 VanDerWaalsContact CE1-CB 3.49Å; H190-C216 WeakPolarHBondContact CE1-CB 3.02Å; H190-C216 WeakPolarHBondContact ND1-CB 3.44Å; H190-C216 PolarHBondContact ND1-SG 3.09Å |
| 191 | D | 80.3 | Confident | 78.6 | Confident | 45 Ų | 45 | 63 Ų | 63 | 24% | 0.241 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 133.7 | -174 | -45.8 | -29.9 | 0 | 0 | 0 | 110.9 | C201 R202 W204 | D191-C201 CarbonylContact O-C 3.49Å; D191-C201 WeakPolarHBondContact O-CA 3.28Å; D191-R202 HydrophobicContact CB-CB 4.25Å; D191-R202 PolarHBondContact N-O 3.39Å; D191-R202 PolarHBondContact O-N 3.4Å; D191-R202 IonicContact OD2-CZ 3.83Å; D191-R202 IonicContact OD2-NE 2.85Å; D191-R202 PolarHBondContact OD2-NE 2.87Å; D191-R202 IonicContact OD2-NH2 2.74Å; D191-R202 PolarHBondContact OD2-NH2 3.15Å; D191-W204 PolarHBondContact OD1-NE1 2.83Å |
| 192 | C | 86.6 | Confident | 78.4 | Confident | 22 Ų | 22 | 68 Ų | 68 | 15% | 0.149 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 131.2 | 163.5 | -173.6 | 0 | 0 | 0 | 0 | 109.8 | C181 N185 C188 H190 F199 | C181-C192 WeakPolarHBondContact CA-SG 3.48Å; C181-C192 HydrophobicContact CB-CB 3.61Å; C181-C192 WeakPolarHBondContact CB-SG 3.4Å; C181-C192 WeakPolarHBondContact SG-CB 3.02Å; C181-C192 CovalentContact SG-SG 2.03Å; C181-C192 PolarHBondContact SG-SG 3.37Å; N185-C192 VanDerWaalsContact O-CB 3.27Å; N185-C192 WeakPolarHBondContact O-CB 3.41Å; N185-C192 PolarHBondContact O-SG 3.49Å; N185-C192 WeakPolarHBondContact OD1-CB 3.04Å; C188-C192 HydrophobicContact CB-CB 4.01Å; C188-C192 VanDerWaalsContact SG-CB 3.55Å; H190-C192 PolarHBondContact O-N 2.02Å; C192-F199 VanDerWaalsContact SG-CD2 3.58Å |
| 193 | I | 78.8 | Confident | 78.6 | Confident | 41 Ų | 41 | 62.3 Ų | 62.3 | 21% | 0.21 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 110.9 | 177.9 | -61 | 177.2 | 0 | 0 | 0 | 108.6 | F199 Y200 R202 | I193-F199 WeakPolarHBondContact O-CA 3.08Å; I193-Y200 HydrophobicContact CB-CD1 4.11Å; I193-Y200 HydrophobicContact CB-CE1 3.71Å; I193-Y200 HydrophobicContact CB-CE2 4.34Å; I193-Y200 HydrophobicContact CD1-CE1 4.47Å; I193-Y200 HydrophobicContact CD1-CE2 4Å; I193-Y200 WeakPolarHBondContact CD1-OH 3.45Å; I193-Y200 HydrophobicContact CG2-CD1 4.27Å; I193-Y200 HydrophobicContact CG2-CE1 3.53Å; I193-Y200 PolarHBondContact N-O 3.36Å; I193-Y200 PolarHBondContact O-N 2.93Å; I193-R202 HydrophobicContact CD1-CB 4.08Å |
| 194 | N | 73.7 | Confident | 78.6 | Confident | 44 Ų | 44 | 63 Ų | 63 | 24% | 0.235 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 139.5 | 178 | -171.4 | 66.5 | 0 | 0 | 0 | 111.6 | D177 N179 C181 | D177-N194 PolarHBondContact OD2-ND2 3.24Å; N179-N194 VanDerWaalsContact CA-OD1 3.24Å; N179-N194 WeakPolarHBondContact CA-OD1 3.49Å; C181-N194 PolarHBondContact SG-N 3.3Å; C181-N194 VanDerWaalsContact SG-N 3.42Å |
| 195 | T | 68.3 | Low | 77.9 | Confident | 54 Ų | 54 | 62.6 Ų | 62.6 | 33% | 0.331 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 162.3 | 175.7 | 69 | 0 | 0 | 0 | 0 | 109.8 | D177 G197 T198 Y200 | D177-T195 VanDerWaalsContact OD1-O 3.04Å; T195-G197 PolarHBondContact O-N 3.06Å; T195-T198 CarbonylContact C-O 3.51Å; T195-T198 VanDerWaalsContact C-O 3.31Å; T195-T198 WeakPolarHBondContact CA-O 3.13Å; T195-T198 WeakPolarHBondContact CB-O 3.34Å; T195-T198 PolarHBondContact N-O 3.42Å; T195-T198 PolarHBondContact O-N 3.28Å; T195-T198 VanDerWaalsContact O-N 3.09Å; T195-T198 WeakPolarHBondContact OG1-CG2 3.47Å; T195-T198 PolarHBondContact OG1-O 2.84Å; T195-Y200 HydrophobicContact CG2-CD1 4.33Å; T195-Y200 HydrophobicContact CG2-CE1 4.2Å |
| 196 | I | 66.2 | Low | 76.8 | Confident | 163 Ų | 163 | 62 Ų | 62 | 84% | 0.836 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | 105.1 | -171.5 | -58.1 | 176.3 | 0 | 0 | 0 | 110.8 | ||
| 197 | G | 68.6 | Low | 76.8 | Confident | 57 Ų | 57 | 65.9 Ų | 65.9 | 59% | 0.588 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94.6 | 3.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | D177 T195 | D177-G197 PolarHBondContact OD1-N 3.15Å; T195-G197 PolarHBondContact O-N 3.06Å |
| 198 | T | 76.3 | Confident | 76.5 | Confident | 75 Ų | 75 | 71 Ų | 71 | 46% | 0.46 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -172.6 | 160.1 | 176.9 | -171 | 0 | 0 | 0 | 0 | 112.4 | T195 | T195-T198 CarbonylContact C-O 3.51Å; T195-T198 VanDerWaalsContact C-O 3.31Å; T195-T198 WeakPolarHBondContact CA-O 3.13Å; T195-T198 WeakPolarHBondContact CB-O 3.34Å; T195-T198 PolarHBondContact N-O 3.42Å; T195-T198 PolarHBondContact O-N 3.28Å; T195-T198 VanDerWaalsContact O-N 3.09Å; T195-T198 WeakPolarHBondContact OG1-CG2 3.47Å; T195-T198 PolarHBondContact OG1-O 2.84Å |
| 199 | F | 84.6 | Confident | 75.9 | Confident | 43 Ų | 43 | 73.9 Ų | 73.9 | 19% | 0.189 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 163.8 | 171.9 | 73.2 | -73.9 | 0 | 0 | 0 | 111.7 | E180 G186 C192 I193 | E180-F199 HydrophobicContact CB-CB 4.48Å; E180-F199 HydrophobicContact CB-CD1 3.47Å; E180-F199 VanDerWaalsContact CB-CD1 3.47Å; E180-F199 HydrophobicContact CB-CE1 3.75Å; E180-F199 HydrophobicContact CB-CG 3.95Å; E180-F199 HydrophobicContact CB-CZ 4.45Å; E180-F199 VanDerWaalsContact CD-CD1 3.42Å; E180-F199 HydrophobicContact CG-CD1 3.66Å; E180-F199 HydrophobicContact CG-CE1 3.84Å; E180-F199 WeakPolarHBondContact OE2-CD1 3.05Å; G186-F199 WeakPolarHBondContact O-CE2 3.46Å; G186-F199 WeakPolarHBondContact O-CZ 3.34Å; C192-F199 VanDerWaalsContact SG-CD2 3.58Å; I193-F199 WeakPolarHBondContact O-CA 3.08Å |
| 200 | Y | 88.7 | Confident | 75.4 | Confident | 118 Ų | 118 | 70.8 Ų | 70.8 | 46% | 0.463 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 155.3 | 166.1 | 74.9 | -85.2 | 0 | 0 | 0 | 112.3 | I193 T195 R202 | I193-Y200 HydrophobicContact CB-CD1 4.11Å; I193-Y200 HydrophobicContact CB-CE1 3.71Å; I193-Y200 HydrophobicContact CB-CE2 4.34Å; I193-Y200 HydrophobicContact CD1-CE1 4.47Å; I193-Y200 HydrophobicContact CD1-CE2 4Å; I193-Y200 WeakPolarHBondContact CD1-OH 3.45Å; I193-Y200 HydrophobicContact CG2-CD1 4.27Å; I193-Y200 HydrophobicContact CG2-CE1 3.53Å; I193-Y200 PolarHBondContact N-O 3.36Å; I193-Y200 PolarHBondContact O-N 2.93Å; T195-Y200 HydrophobicContact CG2-CD1 4.33Å; T195-Y200 HydrophobicContact CG2-CE1 4.2Å; Y200-R202 HydrophobicContact CE2-CB 4.35Å |
| 201 | C | 85.2 | Confident | 74.4 | Confident | 9 Ų | 9 | 78.1 Ų | 78.1 | 6% | 0.061 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 136.5 | -179.8 | -53.1 | 0 | 0 | 0 | 0 | 111.3 | C188 D191 L209 A213 | C188-C201 WeakPolarHBondContact CA-SG 3.37Å; C188-C201 HydrophobicContact CB-CB 3.61Å; C188-C201 WeakPolarHBondContact CB-SG 3.26Å; C188-C201 WeakPolarHBondContact SG-CA 3.27Å; C188-C201 WeakPolarHBondContact SG-CB 3.21Å; C188-C201 CovalentContact SG-SG 2.02Å; C188-C201 PolarHBondContact SG-SG 2.77Å; D191-C201 CarbonylContact O-C 3.49Å; D191-C201 WeakPolarHBondContact O-CA 3.28Å; C201-L209 HydrophobicContact CB-CD1 3.81Å; C201-A213 VanDerWaalsContact CB-O 3.3Å; C201-A213 WeakPolarHBondContact CB-O 3.44Å; C201-A213 PolarHBondContact SG-O 3.2Å |
| 202 | R | 77.5 | Confident | 73.9 | Confident | 131 Ų | 131 | 81.6 Ų | 81.6 | 49% | 0.494 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 122.5 | 178.9 | 179.7 | -174.9 | 72.2 | -171.5 | 1.6 | 110.6 | H190 D191 I193 Y200 | H190-R202 VanDerWaalsContact CB-O 3.29Å; H190-R202 WeakPolarHBondContact CB-O 3.44Å; D191-R202 HydrophobicContact CB-CB 4.25Å; D191-R202 PolarHBondContact N-O 3.39Å; D191-R202 PolarHBondContact O-N 3.4Å; D191-R202 IonicContact OD2-CZ 3.83Å; D191-R202 IonicContact OD2-NE 2.85Å; D191-R202 PolarHBondContact OD2-NE 2.87Å; D191-R202 IonicContact OD2-NH2 2.74Å; D191-R202 PolarHBondContact OD2-NH2 3.15Å; I193-R202 HydrophobicContact CD1-CB 4.08Å; Y200-R202 HydrophobicContact CE2-CB 4.35Å |
| 203 | C | 82 | Confident | 73.1 | Confident | 26 Ų | 26 | 83.3 Ų | 83.3 | 18% | 0.176 | 44% | 0.443 | C | S | . | . | P | Polyproline II helix | trans | -80.7 | 144.6 | 178.3 | -55.6 | 0 | 0 | 0 | 0 | 113.1 | F207 L209 C216 | C203-F207 HydrophobicContact CB-CB 4.11Å; C203-L209 WeakPolarHBondContact SG-CA 3Å; C203-L209 VanDerWaalsContact SG-CD1 3.54Å; C203-L209 PolarHBondContact SG-N 3.36Å; C203-C216 WeakPolarHBondContact CA-SG 3.49Å; C203-C216 HydrophobicContact CB-CB 3.83Å; C203-C216 WeakPolarHBondContact CB-SG 3.41Å; C203-C216 WeakPolarHBondContact SG-CB 3.48Å; C203-C216 CovalentContact SG-SG 2.03Å; C203-C216 PolarHBondContact SG-SG 2.87Å |
| 204 | W | 74.3 | Confident | 73.2 | Confident | 114 Ų | 114 | 85.4 Ų | 85.4 | 43% | 0.432 | 45% | 0.45 | S | S | . | . | P | Polyproline II helix | trans | -64.8 | 152.5 | 169.8 | -55.2 | -17.6 | 0 | 0 | 0 | 111.9 | H190 D191 G206 F207 | H190-W204 HydrophobicContact CB-CD2 4.47Å; H190-W204 HydrophobicContact CB-CG 4.3Å; H190-W204 AromaticContact CD2-CD2 3.69Å; H190-W204 AromaticContact CD2-CE2 3.86Å; H190-W204 AromaticContact CD2-CE3 3.86Å; H190-W204 AromaticContact CG-CD2 3.98Å; H190-W204 AromaticContact CG-CG 3.97Å; H190-W204 PolarHBondContact ND1-N 2.79Å; H190-W204 AromaticContact NE2-CD2 3.99Å; H190-W204 AromaticContact NE2-CE3 3.8Å; D191-W204 PolarHBondContact OD1-NE1 2.83Å; W204-G206 PolarHBondContact O-N 2.81Å; W204-F207 PolarHBondContact O-N 3.03Å |
| 205 | P | 57.1 | Low | 73.5 | Confident | 135 Ų | 135 | 84.7 Ų | 84.7 | 88% | 0.877 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.5 | 134.2 | -179 | -28.3 | 35.9 | 0 | 0 | 0 | 113.6 | ||
| 206 | G | 54.5 | Low | 73.7 | Confident | 52 Ų | 52 | 82.4 Ų | 82.4 | 54% | 0.536 | 44% | 0.437 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 100.4 | -22.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | W204 | W204-G206 PolarHBondContact O-N 2.81Š|
| 207 | F | 73.4 | Confident | 73.8 | Confident | 88 Ų | 88 | 77.2 Ų | 77.2 | 39% | 0.386 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 158.3 | 174.1 | -62.7 | -102.2 | 0 | 0 | 0 | 110.7 | H190 C203 W204 C216 | H190-F207 AromaticContact CE1-CD1 3.96Å; H190-F207 AromaticContact CE1-CD2 3.88Å; H190-F207 AromaticContact CE1-CG 3.65Å; C203-F207 HydrophobicContact CB-CB 4.11Å; W204-F207 PolarHBondContact O-N 3.03Å; F207-C216 HydrophobicContact CB-CB 4.24Å |
| 208 | R | 72.7 | Confident | 72.9 | Confident | 135 Ų | 135 | 76.2 Ų | 76.2 | 51% | 0.509 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 154.7 | 166.9 | 72.2 | 172.7 | -166.8 | 163.4 | 9.9 | 109.7 | C216 I217 | R208-C216 CarbonylContact O-C 3.57Å; R208-C216 VanDerWaalsContact O-CA 3.28Å; R208-C216 WeakPolarHBondContact O-CA 3.48Å; R208-I217 HydrophobicContact CG-CD1 4.27Å; R208-I217 HydrophobicContact CG-CG1 3.83Å; R208-I217 PolarHBondContact N-O 3.31Å; R208-I217 PolarHBondContact O-N 3.33Å |
| 209 | L | 74.5 | Confident | 71.4 | Confident | 70 Ų | 70 | 80.5 Ų | 80.5 | 37% | 0.366 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 138 | 171.4 | -157.2 | 68 | 0 | 0 | 0 | 108.7 | C201 C203 A213 | C201-L209 HydrophobicContact CB-CD1 3.81Å; C203-L209 WeakPolarHBondContact SG-CA 3Å; C203-L209 VanDerWaalsContact SG-CD1 3.54Å; C203-L209 PolarHBondContact SG-N 3.36Å; L209-A213 HydrophobicContact CD2-CB 4.31Å |
| 210 | D | 71.5 | Confident | 69.3 | Low | 46 Ų | 46 | 83.8 Ų | 83.8 | 25% | 0.246 | 44% | 0.441 | C | S | . | . | trans | -85.4 | 172.3 | 176.3 | -148.6 | -11.2 | 0 | 0 | 0 | 111.2 | D212 A213 A215 I217 | D210-D212 PolarHBondContact O-N 3.13Å; D210-D212 VanDerWaalsContact O-N 3.15Å; D210-A213 PolarHBondContact O-N 3.35Å; D210-A215 HydrophobicContact CB-CB 3.81Å; D210-A215 PolarHBondContact N-O 2.02Å; D210-I217 HydrophobicContact CB-CD1 4.24Å; D210-I217 HydrophobicContact CB-CG1 3.99Å; D210-I217 HydrophobicContact CB-CG2 4.27Å; D210-I217 WeakPolarHBondContact OD1-CD1 2.99Å; D210-I217 WeakPolarHBondContact OD2-CG2 3.24Å | ||
| 211 | H | 67.6 | Low | 66.5 | Low | 173 Ų | 173 | 90 Ų | 90 | 80% | 0.801 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -23.8 | -177.2 | -73.1 | -57.6 | 0 | 0 | 0 | 114.4 | A213 | H211-A213 PolarHBondContact O-N 2.67Å; H211-A213 VanDerWaalsContact O-N 3.11Å |
| 212 | D | 69.6 | Low | 63.8 | Low | 118 Ų | 118 | 97.4 Ų | 97.4 | 63% | 0.631 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -3.6 | 173.7 | -59.7 | -12.8 | 0 | 0 | 0 | 113.5 | D210 K214 | D210-D212 PolarHBondContact O-N 3.13Å; D210-D212 VanDerWaalsContact O-N 3.15Å; D212-K214 HydrophobicContact CB-CB 4.37Å; D212-K214 WeakPolarHBondContact O-CG 3.28Å; D212-K214 PolarHBondContact O-N 3.16Å |
| 213 | A | 70.8 | Confident | 61.5 | Low | 57 Ų | 57 | 98.5 Ų | 98.5 | 47% | 0.471 | 52% | 0.517 | S | S | . | . | S | Bend | trans | 55.3 | 13.2 | -170.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | C201 L209 D210 H211 | C201-A213 VanDerWaalsContact CB-O 3.3Å; C201-A213 WeakPolarHBondContact CB-O 3.44Å; C201-A213 PolarHBondContact SG-O 3.2Å; L209-A213 HydrophobicContact CD2-CB 4.31Å; D210-A213 PolarHBondContact O-N 3.35Å; H211-A213 PolarHBondContact O-N 2.67Å; H211-A213 VanDerWaalsContact O-N 3.11Å |
| 214 | K | 81 | Confident | 58.8 | Low | 85 Ų | 85 | 104.8 Ų | 104.8 | 37% | 0.37 | 54% | 0.542 | S | S | . | . | S | Bend | trans | -130.2 | -52.9 | -170 | -77.3 | -173.3 | -175.3 | -151.8 | 0 | 112.9 | G186 G187 H189 D212 | G186-K214 WeakPolarHBondContact O-CE 3.43Å; G186-K214 PolarHBondContact O-NZ 2.04Å; G187-K214 WeakPolarHBondContact O-CB 3.44Å; H189-K214 WeakPolarHBondContact CB-O 3.42Å; H189-K214 PolarHBondContact N-O 3.39Å; D212-K214 HydrophobicContact CB-CB 4.37Å; D212-K214 WeakPolarHBondContact O-CG 3.28Å; D212-K214 PolarHBondContact O-N 3.16Å |
| 215 | A | 79 | Confident | 56.4 | Low | 30 Ų | 30 | 106.9 Ų | 106.9 | 25% | 0.248 | 56% | 0.561 | C | S | . | * | trans | -64.8 | 150.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | D210 | D210-A215 HydrophobicContact CB-CB 3.81Å; D210-A215 PolarHBondContact N-O 2.02Å | ||
| 216 | C | 73.1 | Confident | 55 | Low | 5 Ų | 5 | 105.3 Ų | 105.3 | 3% | 0.034 | 55% | 0.553 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -123.6 | 104 | 174.2 | -72.2 | 0 | 0 | 0 | 0 | 109.2 | H189 H190 C203 F207 R208 | H189-C216 HydrophobicContact CB-CB 4.37Å; H189-C216 PolarHBondContact ND1-N 3.46Å; H189-C216 PolarHBondContact ND1-O 2.97Å; H190-C216 VanDerWaalsContact CE1-CB 3.49Å; H190-C216 WeakPolarHBondContact CE1-CB 3.02Å; H190-C216 WeakPolarHBondContact ND1-CB 3.44Å; H190-C216 PolarHBondContact ND1-SG 3.09Å; C203-C216 WeakPolarHBondContact CA-SG 3.49Å; C203-C216 HydrophobicContact CB-CB 3.83Å; C203-C216 WeakPolarHBondContact CB-SG 3.41Å; C203-C216 WeakPolarHBondContact SG-CB 3.48Å; C203-C216 CovalentContact SG-SG 2.03Å; C203-C216 PolarHBondContact SG-SG 2.87Å; F207-C216 HydrophobicContact CB-CB 4.24Å; R208-C216 CarbonylContact O-C 3.57Å; R208-C216 VanDerWaalsContact O-CA 3.28Å; R208-C216 WeakPolarHBondContact O-CA 3.48Å |
| 217 | I | 66.9 | Low | 53.6 | Low | 55 Ų | 55 | 112.5 Ų | 112.5 | 28% | 0.282 | 56% | 0.564 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -88.8 | 136.1 | -177.9 | 46.3 | 169.1 | 0 | 0 | 0 | 111.9 | R208 D210 | R208-I217 HydrophobicContact CG-CD1 4.27Å; R208-I217 HydrophobicContact CG-CG1 3.83Å; R208-I217 PolarHBondContact N-O 3.31Å; R208-I217 PolarHBondContact O-N 3.33Å; D210-I217 HydrophobicContact CB-CD1 4.24Å; D210-I217 HydrophobicContact CB-CG1 3.99Å; D210-I217 HydrophobicContact CB-CG2 4.27Å; D210-I217 WeakPolarHBondContact OD1-CD1 2.99Å; D210-I217 WeakPolarHBondContact OD2-CG2 3.24Å |
| 218 | G | 49.9 | Very low | 51.2 | Low | 36 Ų | 36 | 113.3 Ų | 113.3 | 37% | 0.371 | 58% | 0.579 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -70.5 | 147.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | S220 | G218-S220 VanDerWaalsContact C-N 3.27Å; G218-S220 PolarHBondContact O-N 3.26Å |
| 219 | K | 46.4 | Very low | 48.9 | Very low | 164 Ų | 164 | 114.8 Ų | 114.8 | 71% | 0.713 | 59% | 0.594 | S | S | * | * | trans | -73.4 | 75.3 | 177.8 | -66.8 | -177.2 | 179.2 | -176.4 | 0 | 111.6 | ||||
| 220 | S | 38.8 | Very low | 46.5 | Very low | 113 Ų | 113 | 118.1 Ų | 118.1 | 79% | 0.79 | 61% | 0.612 | S | S | * | * | trans | -73.2 | 127.7 | 179.9 | 51.4 | 0 | 0 | 0 | 0 | 112.5 | G218 | G218-S220 VanDerWaalsContact C-N 3.27Å; G218-S220 PolarHBondContact O-N 3.26Å | ||
| 221 | R | 31.1 | Very low | 44.3 | Very low | 247 Ų | 247 | 123.7 Ų | 123.7 | 93% | 0.932 | 64% | 0.636 | S | S | * | * | trans | -101.2 | 89 | 174.1 | -87.4 | -176.7 | 158.8 | -171.2 | -5.1 | 110.7 | ||||
| 222 | L | 28.8 | Very low | 42.1 | Very low | 166 Ų | 166 | 120.1 Ų | 120.1 | 87% | 0.869 | 64% | 0.637 | S | S | * | * | trans | -170.4 | 97.7 | 167 | -110.7 | 156.5 | 0 | 0 | 0 | 109.7 | ||||
| 223 | N | 28.5 | Very low | 39.9 | Very low | 154 Ų | 154 | 123.5 Ų | 123.5 | 82% | 0.824 | 65% | 0.646 | S | S | * | * | trans | -168.3 | 40 | 168.7 | -110.5 | -19.2 | 0 | 0 | 0 | 116.8 | ||||
| 224 | F | 25.8 | Very low | 37.6 | Very low | 157 Ų | 157 | 127.2 Ų | 127.2 | 69% | 0.689 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -152 | 73.7 | 162.9 | -147.5 | -89.1 | 0 | 0 | 0 | 114.7 | R227 | F224-R227 HydrophobicContact CE1-CB 4.25Å; F224-R227 HydrophobicContact CE2-CB 3.96Å; F224-R227 HydrophobicContact CE2-CG 4.49Å; F224-R227 HydrophobicContact CZ-CB 3.77Å; F224-R227 HydrophobicContact CZ-CG 4.46Å |
| 225 | L | 24.5 | Very low | 34.8 | Very low | 158 Ų | 158 | 133.4 Ų | 133.4 | 83% | 0.827 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -139.4 | -18.2 | 162.8 | -102.9 | 171.2 | 0 | 0 | 0 | 113.2 | R227 | L225-R227 VanDerWaalsContact C-N 3.26Å; L225-R227 PolarHBondContact O-N 2.75Å |
| 226 | S | 26.4 | Very low | 32.1 | Very low | 102 Ų | 102 | 139.7 Ų | 139.7 | 71% | 0.713 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.2 | -9.5 | 176.1 | 45.1 | 0 | 0 | 0 | 0 | 114.7 | ||
| 227 | R | 25.8 | Very low | 29.7 | Very low | 203 Ų | 203 | 146 Ų | 146 | 77% | 0.766 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.7 | 12.3 | -169.6 | -136.1 | -178.5 | -168.5 | -156 | 1.9 | 116.4 | F224 L225 | F224-R227 HydrophobicContact CE1-CB 4.25Å; F224-R227 HydrophobicContact CE2-CB 3.96Å; F224-R227 HydrophobicContact CE2-CG 4.49Å; F224-R227 HydrophobicContact CZ-CB 3.77Å; F224-R227 HydrophobicContact CZ-CG 4.46Å; L225-R227 VanDerWaalsContact C-N 3.26Å; L225-R227 PolarHBondContact O-N 2.75Å |
| 228 | C | 22.2 | Very low | 27.5 | Very low | 106 Ų | 106 | 150.1 Ų | 150.1 | 72% | 0.716 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -132.4 | 12.7 | 171.9 | -144.2 | 0 | 0 | 0 | 0 | 114.6 | L230 | C228-L230 VanDerWaalsContact C-N 3.27Å; C228-L230 PolarHBondContact O-N 2.93Å |
| 229 | M | 24.1 | Very low | 26.2 | Very low | 165 Ų | 165 | 154.2 Ų | 154.2 | 81% | 0.813 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -86.5 | 7.5 | 172.6 | -67.9 | -67.8 | -73.5 | 0 | 0 | 113.3 | ||
| 230 | L | 24.7 | Very low | 25.1 | Very low | 141 Ų | 141 | 151 Ų | 151 | 74% | 0.738 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -108.6 | -35.4 | -168.6 | -146.8 | 70.5 | 0 | 0 | 0 | 114.2 | C228 | C228-L230 VanDerWaalsContact C-N 3.27Å; C228-L230 PolarHBondContact O-N 2.93Å |
| 231 | E | 24.9 | Very low | 24.2 | Very low | 163 Ų | 163 | 148.8 Ų | 148.8 | 76% | 0.762 | 74% | 0.736 | S | S | * | * | G | 310 helix | trans | -88.5 | -1.2 | -173.3 | -67.1 | -58.3 | 141.2 | 0 | 0 | 114.6 | K233 | E231-K233 PolarHBondContact O-N 3.46Š|
| 232 | A | 22.7 | Very low | 23.8 | Very low | 98 Ų | 98 | 144.1 Ų | 144.1 | 81% | 0.81 | 73% | 0.729 | S | S | * | * | G | 310 helix | trans | -83.7 | 9.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 233 | K | 22.7 | Very low | 23.5 | Very low | 189 Ų | 189 | 138.9 Ų | 138.9 | 82% | 0.822 | 71% | 0.71 | S | S | * | * | G | 310 helix | trans | -106 | 16.2 | -171.1 | -99.5 | -171.8 | 176.5 | -176.6 | 0 | 116.3 | E231 | E231-K233 PolarHBondContact O-N 3.46Š|
| 234 | L | 23.4 | Very low | 23.3 | Very low | 135 Ų | 135 | 138.8 Ų | 138.8 | 71% | 0.707 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -131.8 | 104.1 | 169.2 | -86 | 98.7 | 0 | 0 | 0 | 114.2 | ||
| 235 | R | 21.4 | Very low | 23.1 | Very low | 215 Ų | 215 | 138.9 Ų | 138.9 | 81% | 0.811 | 71% | 0.709 | S | S | * | * | trans | 75.1 | 116.9 | 150.7 | -54.7 | 175.6 | -173.1 | -162.9 | 0.1 | 115.3 | ||||
| 236 | H | 21.7 | Very low | 22.9 | Very low | 161 Ų | 161 | 134.5 Ų | 134.5 | 75% | 0.745 | 69% | 0.69 | S | S | * | * | 57.5 | 128.4 | 79.5 | -74.7 | -109.9 | 0 | 0 | 0 | 112.4 | |||||
| 237 | H | 22.8 | Very low | 22.7 | Very low | 139 Ų | 139 | 139.1 Ų | 139.1 | 64% | 0.644 | 70% | 0.698 | S | S | * | * | cis | -157 | 157 | 20.5 | -116.8 | -67.8 | 0 | 0 | 0 | 112.7 | ||||
| 238 | M | 21.9 | Very low | 22.4 | Very low | 141 Ų | 141 | 135.3 Ų | 135.3 | 70% | 0.695 | 70% | 0.7 | S | S | * | * | trans | 52.6 | 109.5 | 159.6 | -50.1 | -37.6 | -161 | 0 | 0 | 119.4 | ||||
| 239 | L | 21.3 | Very low | 22.3 | Very low | 122 Ų | 122 | 133.8 Ų | 133.8 | 64% | 0.639 | 69% | 0.691 | S | S | * | * | 68.6 | 120.8 | 80 | -72.9 | 171.7 | 0 | 0 | 0 | 116.3 | |||||
| 240 | N | 23.3 | Very low | 22.1 | Very low | 95 Ų | 95 | 134.6 Ų | 134.6 | 51% | 0.508 | 69% | 0.69 | S | S | . | * | -179.9 | 87.8 | 127.8 | -162.2 | 41.1 | 0 | 0 | 0 | 114.6 | A15 V16 | A15-N240 CarbonylContact C-O 3.32Å; A15-N240 WeakPolarHBondContact CA-O 3.03Å; A15-N240 HydrophobicContact CB-CB 3.97Å; A15-N240 WeakPolarHBondContact CB-O 3.47Å; V16-N240 PolarHBondContact N-O 3.49Å; V16-N240 VanDerWaalsContact N-O 3.15Å; V16-N240 CarbonylContact O-C 3.5Å; V16-N240 PolarHBondContact O-N 2.81Å | |||
| 241 | T | 20.5 | Very low | 21.9 | Very low | 68 Ų | 68 | 133.5 Ų | 133.5 | 42% | 0.417 | 68% | 0.682 | S | S | . | * | trans | 62.1 | 118.4 | 149.7 | 57.6 | 0 | 0 | 0 | 0 | 123.1 | A15 V16 A243 | A15-T241 CarbonylContact O-C 3.55Å; V16-T241 PolarHBondContact O-N 3.17Å; T241-A243 PolarHBondContact O-N 3.37Å | ||
| 242 | N | 22.9 | Very low | 21.7 | Very low | 148 Ų | 148 | 134.8 Ų | 134.8 | 79% | 0.791 | 69% | 0.69 | S | S | * | * | trans | 77.4 | 0.4 | 134.3 | -55.2 | -2.4 | 0 | 0 | 0 | 120.8 | ||||
| 243 | A | 23.3 | Very low | 21.7 | Very low | 57 Ų | 57 | 133.1 Ų | 133.1 | 47% | 0.471 | 67% | 0.672 | S | S | . | * | trans | -82.1 | 123.3 | 167.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | T241 F245 | T241-A243 PolarHBondContact O-N 3.37Å; A243-F245 PolarHBondContact O-N 3.2Å | ||
| 244 | L | 24 | Very low | 21.6 | Very low | 152 Ų | 152 | 129.3 Ų | 129.3 | 80% | 0.796 | 67% | 0.665 | S | S | * | * | trans | 48.4 | 64.2 | 145.6 | -62.2 | 166.9 | 0 | 0 | 0 | 118.3 | ||||
| 245 | F | 21.3 | Very low | 21.5 | Very low | 158 Ų | 158 | 129.6 Ų | 129.6 | 69% | 0.693 | 67% | 0.667 | S | S | * | * | -65.6 | 116 | 117.4 | -93 | -107.1 | 0 | 0 | 0 | 105.4 | A243 | A243-F245 PolarHBondContact O-N 3.2Š| |||
| 246 | P | 19.9 | Very low | 21.5 | Very low | 67 Ų | 67 | 122.3 Ų | 122.3 | 44% | 0.435 | 65% | 0.653 | S | S | . | * | -151.3 | 70.3 | 86.1 | 39.4 | -19 | 0 | 0 | 0 | 114.9 | |||||
| 247 | F | 21.6 | Very low | 21.6 | Very low | 199 Ų | 199 | 121.7 Ų | 121.7 | 87% | 0.873 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -142.1 | 110.7 | 161.9 | -83 | -82.3 | 0 | 0 | 0 | 108.6 | ||
| 248 | C | 20.1 | Very low | 21.8 | Very low | 122 Ų | 122 | 119 Ų | 119 | 82% | 0.824 | 65% | 0.645 | S | S | * | * | S | Bend | cis | -111.3 | 106.6 | -1.6 | -67.6 | 0 | 0 | 0 | 0 | 110.6 | ||
| 249 | S | 20.6 | Very low | 21.7 | Very low | 75 Ų | 75 | 118.6 Ų | 118.6 | 52% | 0.524 | 64% | 0.642 | S | S | . | * | trans | -148.8 | 64.9 | 169.4 | -73.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 250 | F | 19.2 | Very low | 22.1 | Very low | 181 Ų | 181 | 118.8 Ų | 118.8 | 79% | 0.794 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -147.4 | 108.3 | 165.9 | -136.2 | -99.8 | 0 | 0 | 0 | 110.1 | ||
| 251 | Q | 20.3 | Very low | 22.6 | Very low | 118 Ų | 118 | 114.7 Ų | 114.7 | 55% | 0.551 | 62% | 0.62 | S | S | * | * | trans | 63.8 | 121.3 | 165.5 | -48.8 | -84.3 | -88 | 0 | 0 | 116.5 | S253 | Q251-S253 PolarHBondContact NE2-OG 2.99Å; Q251-S253 PolarHBondContact OE1-OG 3.42Å | ||
| 252 | M | 21.5 | Very low | 22.8 | Very low | 191 Ų | 191 | 115.4 Ų | 115.4 | 94% | 0.941 | 62% | 0.624 | S | S | * | * | cis | 54.8 | 40.9 | -9.2 | -76.2 | -129.6 | 68.8 | 0 | 0 | 118.9 | ||||
| 253 | S | 22.6 | Very low | 23.4 | Very low | 63 Ų | 63 | 109 Ų | 109 | 44% | 0.441 | 59% | 0.59 | S | S | . | * | trans | -173.9 | 160.7 | 142.8 | 42.6 | 0 | 0 | 0 | 0 | 109.7 | Q251 | Q251-S253 PolarHBondContact NE2-OG 2.99Å; Q251-S253 PolarHBondContact OE1-OG 3.42Å | ||
| 254 | T | 20.2 | Very low | 24.1 | Very low | 108 Ų | 108 | 106.5 Ų | 106.5 | 66% | 0.663 | 57% | 0.569 | S | S | * | * | trans | 34.4 | 106.8 | 158.9 | 54.5 | 0 | 0 | 0 | 0 | 116 | ||||
| 255 | N | 21.5 | Very low | 24.2 | Very low | 142 Ų | 142 | 101.2 Ų | 101.2 | 76% | 0.759 | 54% | 0.541 | S | S | * | . | -179 | 174.2 | 50.9 | -117.1 | -36.2 | 0 | 0 | 0 | 110.7 | N257 | N255-N257 CarbonylContact C-O 3.48Å; N255-N257 PolarHBondContact O-N 3.04Å | |||
| 256 | A | 21.4 | Very low | 25.1 | Very low | 61 Ų | 61 | 94 Ų | 94 | 50% | 0.504 | 51% | 0.51 | S | S | . | . | trans | 38.4 | 70.9 | 142.5 | 0 | 0 | 0 | 0 | 0 | 117.6 | L258 | A256-L258 VanDerWaalsContact CA-N 3.3Å; A256-L258 HydrophobicContact CB-CB 4.46Å; A256-L258 HydrophobicContact CB-CD1 3.81Å; A256-L258 HydrophobicContact CB-CD2 3.98Å; A256-L258 HydrophobicContact CB-CG 4.28Å | ||
| 257 | N | 22.7 | Very low | 25.2 | Very low | 148 Ų | 148 | 93.5 Ų | 93.5 | 79% | 0.791 | 51% | 0.506 | S | S | * | . | S | Bend | cis | -35.4 | 99.6 | 19.4 | -63.1 | -5 | 0 | 0 | 0 | 115.6 | N255 | N255-N257 CarbonylContact C-O 3.48Å; N255-N257 PolarHBondContact O-N 3.04Å |
| 258 | L | 27.8 | Very low | 25.2 | Very low | 84 Ų | 84 | 85 Ų | 85 | 44% | 0.44 | 47% | 0.471 | S | S | . | . | cis | 61.1 | 107.4 | 25.2 | -104.1 | 42.8 | 0 | 0 | 0 | 109.5 | A256 V262 | A256-L258 VanDerWaalsContact CA-N 3.3Å; A256-L258 HydrophobicContact CB-CB 4.46Å; A256-L258 HydrophobicContact CB-CD1 3.81Å; A256-L258 HydrophobicContact CB-CD2 3.98Å; A256-L258 HydrophobicContact CB-CG 4.28Å; L258-V262 WeakPolarHBondContact CD2-O 3.36Å; L258-V262 WeakPolarHBondContact CG-O 3.36Å | ||
| 259 | Q | 19.3 | Very low | 25.6 | Very low | 132 Ų | 132 | 82.9 Ų | 82.9 | 62% | 0.617 | 45% | 0.454 | S | S | * | . | S | Bend | cis | 48.1 | 60.6 | 23.4 | -129.4 | -64.1 | -10.5 | 0 | 0 | 111.4 | V262 | Q259-V262 WeakPolarHBondContact O-CB 3.38Š|
| 260 | M | 30.6 | Very low | 25.8 | Very low | 126 Ų | 126 | 83.5 Ų | 83.5 | 62% | 0.621 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -161.7 | 42.6 | -9 | -125.3 | -177.9 | -48.7 | 0 | 0 | 106.8 | V262 G322 | M260-V262 VanDerWaalsContact N-N 3.13Å; M260-G322 VanDerWaalsContact C-CA 3.45Å; M260-G322 CarbonylContact C-O 3.3Å; M260-G322 CarbonylContact O-C 3.58Å; M260-G322 WeakPolarHBondContact O-CA 3.37Å |
| 261 | A | 32.8 | Very low | 26.6 | Very low | 9 Ų | 9 | 78.2 Ų | 78.2 | 7% | 0.074 | 44% | 0.441 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 43.4 | 70.1 | -132.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | P305 G322 | A261-P305 HydrophobicContact CB-CB 3.88Å; A261-P305 HydrophobicContact CB-CG 3.55Å; A261-P305 WeakPolarHBondContact O-CB 3.06Å; A261-P305 WeakPolarHBondContact O-CG 2.97Å; A261-G322 VanDerWaalsContact CB-O 3.23Å; A261-G322 WeakPolarHBondContact CB-O 3.04Å; A261-G322 PolarHBondContact N-O 3.19Å |
| 262 | V | 24.8 | Very low | 27.2 | Very low | 82 Ų | 82 | 76.5 Ų | 76.5 | 50% | 0.497 | 44% | 0.438 | S | S | . | . | S | Bend | -50.8 | 91.1 | 74.1 | -165.5 | 0 | 0 | 0 | 0 | 115.9 | L258 Q259 M260 | L258-V262 WeakPolarHBondContact CD2-O 3.36Å; L258-V262 WeakPolarHBondContact CG-O 3.36Å; Q259-V262 WeakPolarHBondContact O-CB 3.38Å; M260-V262 VanDerWaalsContact N-N 3.13Å | |
| 263 | V | 36.6 | Very low | 27.7 | Very low | 15 Ų | 15 | 70.9 Ų | 70.9 | 9% | 0.091 | 42% | 0.422 | C | S | . | . | S | Bend | cis | -167.3 | 120.2 | -12.6 | 127.9 | 0 | 0 | 0 | 0 | 96.5 | I265 P305 E308 T310 | V263-I265 WeakPolarHBondContact O-CD1 3.38Å; V263-P305 HydrophobicContact CB-CB 4.28Å; V263-P305 HydrophobicContact CG2-CB 3.37Å; V263-E308 HydrophobicContact CB-CB 4.39Å; V263-E308 HydrophobicContact CG1-CB 3.65Å; V263-E308 HydrophobicContact CG2-CB 3.83Å; V263-E308 HydrophobicContact CG2-CG 4.27Å; V263-T310 HydrophobicContact CG1-CG2 4.12Å; V263-T310 WeakPolarHBondContact CG1-OG1 3.25Å |
| 264 | N | 37 | Very low | 28.5 | Very low | 3 Ų | 3 | 72.8 Ų | 72.8 | 2% | 0.016 | 44% | 0.435 | C | S | . | . | cis | -154.5 | 20.1 | 17.2 | -57.4 | -28.6 | 0 | 0 | 0 | 108.7 | P305 E308 A324 | N264-P305 PolarHBondContact ND2-O 2.98Å; N264-P305 WeakPolarHBondContact OD1-CA 3.49Å; N264-P305 WeakPolarHBondContact OD1-CB 2.99Å; N264-P305 PolarHBondContact OD1-O 2.03Å; N264-E308 PolarHBondContact ND2-O 3.38Å; N264-A324 VanDerWaalsContact C-N 3.29Å; N264-A324 HydrophobicContact CB-CB 4.06Å; N264-A324 CarbonylContact O-C 3.57Å; N264-A324 WeakPolarHBondContact O-CA 3.02Å; N264-A324 WeakPolarHBondContact O-CB 3.28Å; N264-A324 PolarHBondContact O-N 3.24Å | ||
| 265 | I | 25.9 | Very low | 29.3 | Very low | 41 Ų | 41 | 72 Ų | 72 | 21% | 0.21 | 44% | 0.44 | C | S | . | . | -126.5 | 140.4 | -112.2 | -99.9 | 135.6 | 0 | 0 | 0 | 116.7 | V263 V267 V311 R323 | V263-I265 WeakPolarHBondContact O-CD1 3.38Å; I265-V267 WeakPolarHBondContact O-CG2 3.42Å; I265-V311 HydrophobicContact CD1-CB 3.34Å; I265-V311 HydrophobicContact CD1-CG2 3.28Å; I265-V311 HydrophobicContact CG1-CB 3.77Å; I265-V311 HydrophobicContact CG1-CG2 3.79Å; I265-R323 WeakPolarHBondContact O-CG 3.28Å; I265-R323 PolarHBondContact O-NE 3.28Å | |||
| 266 | V | 40.5 | Very low | 30.3 | Very low | 7 Ų | 7 | 70.2 Ų | 70.2 | 4% | 0.042 | 44% | 0.444 | C | S | . | . | cis | 58.6 | 51.3 | 37.1 | -177.5 | 0 | 0 | 0 | 0 | 110.3 | S268 C326 V339 | V266-S268 WeakPolarHBondContact O-CB 3.27Å; V266-C326 WeakPolarHBondContact CG1-SG 3.47Å; V266-C326 HydrophobicContact CG2-CB 4.22Å; V266-C326 WeakPolarHBondContact CG2-SG 3.25Å; V266-V339 HydrophobicContact CG1-CB 4.36Å; V266-V339 HydrophobicContact CG1-CG2 3.24Å | ||
| 267 | V | 22.5 | Very low | 31.3 | Very low | 57 Ų | 57 | 72 Ų | 72 | 35% | 0.345 | 45% | 0.453 | S | S | . | . | cis | 35.8 | 53.1 | 32.4 | -165.4 | 0 | 0 | 0 | 0 | 110.1 | I265 R323 K338 | I265-V267 WeakPolarHBondContact O-CG2 3.42Å; V267-R323 VanDerWaalsContact CB-NH2 3.32Å; V267-K338 WeakPolarHBondContact O-CD 3.42Å | ||
| 268 | S | 21.9 | Very low | 32.9 | Very low | 20 Ų | 20 | 68.7 Ų | 68.7 | 14% | 0.14 | 45% | 0.446 | C | S | . | . | cis | 16.4 | 108.7 | 31.5 | -71.2 | 0 | 0 | 0 | 0 | 120.4 | V266 D337 K338 V339 | V266-S268 WeakPolarHBondContact O-CB 3.27Å; S268-D337 VanDerWaalsContact CA-O 3.23Å; S268-D337 WeakPolarHBondContact CA-O 3.23Å; S268-D337 WeakPolarHBondContact CB-O 3.4Å; S268-D337 PolarHBondContact OG-O 3.5Å; S268-K338 PolarHBondContact N-O 2.93Å; S268-K338 VanDerWaalsContact OG-C 3.26Å; S268-V339 VanDerWaalsContact OG-CB 3.27Å; S268-V339 WeakPolarHBondContact OG-CB 3.46Å; S268-V339 WeakPolarHBondContact OG-CG2 3.41Å; S268-V339 PolarHBondContact OG-N 2.8Å | ||
| 269 | T | 28.6 | Very low | 34.2 | Very low | 77 Ų | 77 | 70.5 Ų | 70.5 | 47% | 0.472 | 46% | 0.463 | S | S | . | . | trans | 76.6 | 132.1 | -179.1 | 95.8 | 0 | 0 | 0 | 0 | 114.8 | K271 V272 | T269-K271 PolarHBondContact N-O 3.15Å; T269-V272 WeakPolarHBondContact CA-O 3.42Å; T269-V272 WeakPolarHBondContact CB-O 3.28Å; T269-V272 WeakPolarHBondContact CG2-O 3.35Å; T269-V272 PolarHBondContact N-O 2.87Å | ||
| 270 | A | 25.3 | Very low | 33.9 | Very low | 88 Ų | 88 | 72.5 Ų | 72.5 | 73% | 0.727 | 48% | 0.477 | S | S | * | . | S | Bend | cis | -56.7 | 126.5 | -49.4 | 0 | 0 | 0 | 0 | 0 | 107.2 | K338 | A270-K338 WeakPolarHBondContact O-CE 3.35Å; A270-K338 PolarHBondContact O-NZ 3.36Å |
| 271 | K | 35 | Very low | 34.2 | Very low | 71 Ų | 71 | 71.1 Ų | 71.1 | 31% | 0.309 | 49% | 0.486 | S | S | . | . | S | Bend | cis | -115.1 | 148.9 | 33.3 | -177.5 | -159.9 | 175.1 | -140.8 | 0 | 105.3 | T269 L334 S335 Y336 D337 | T269-K271 PolarHBondContact N-O 3.15Å; K271-L334 PolarHBondContact NZ-O 2.83Å; K271-S335 PolarHBondContact NZ-O 3.17Å; K271-Y336 VanDerWaalsContact C-C 3.43Å; K271-Y336 CarbonylContact C-O 3.53Å; K271-Y336 WeakPolarHBondContact CA-O 3.14Å; K271-Y336 WeakPolarHBondContact CB-O 3.02Å; K271-Y336 HydrophobicContact CD-CD1 3.92Å; K271-Y336 HydrophobicContact CD-CE1 4.29Å; K271-Y336 HydrophobicContact CD-CG 4.11Å; K271-Y336 VanDerWaalsContact CD-O 3.24Å; K271-Y336 WeakPolarHBondContact CD-O 3.25Å; K271-Y336 VanDerWaalsContact CE-CD1 3.46Å; K271-Y336 VanDerWaalsContact CE-CG 3.45Å; K271-Y336 HydrophobicContact CG-CD1 3.34Å; K271-Y336 HydrophobicContact CG-CE1 3.97Å; K271-Y336 HydrophobicContact CG-CG 3.83Å; K271-Y336 WeakPolarHBondContact CG-O 3.13Å; K271-Y336 CarbonylContact O-C 3.37Å; K271-D337 CarbonylContact O-C 3.42Å; K271-D337 VanDerWaalsContact O-C 3.23Å |
| 272 | V | 33.4 | Very low | 34.7 | Very low | 82 Ų | 82 | 76 Ų | 76 | 50% | 0.497 | 52% | 0.519 | S | S | . | . | S | Bend | cis | -85.9 | -166.2 | -49.6 | -155.2 | 0 | 0 | 0 | 0 | 109.2 | T269 Y336 | T269-V272 WeakPolarHBondContact CA-O 3.42Å; T269-V272 WeakPolarHBondContact CB-O 3.28Å; T269-V272 WeakPolarHBondContact CG2-O 3.35Å; T269-V272 PolarHBondContact N-O 2.87Å; V272-Y336 HydrophobicContact CG2-CD1 4.32Å; V272-Y336 HydrophobicContact CG2-CG 4.42Å; V272-Y336 PolarHBondContact N-O 3.06Å |
| 273 | A | 30.8 | Very low | 35.5 | Very low | 72 Ų | 72 | 75.8 Ų | 75.8 | 60% | 0.595 | 52% | 0.522 | S | S | * | . | trans | -65.4 | 174.3 | 161.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 274 | S | 40.6 | Very low | 35.1 | Very low | 103 Ų | 103 | 85.3 Ų | 85.3 | 72% | 0.72 | 56% | 0.557 | S | S | * | * | cis | -173 | 164.6 | 44.3 | 48.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 275 | A | 37.1 | Very low | 34.6 | Very low | 93 Ų | 93 | 91.6 Ų | 91.6 | 77% | 0.769 | 59% | 0.59 | S | S | * | * | trans | 54.1 | 59.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 276 | A | 41.3 | Very low | 34.9 | Very low | 103 Ų | 103 | 95.6 Ų | 95.6 | 85% | 0.851 | 61% | 0.608 | S | S | * | * | -56.5 | 101.5 | 102 | 0 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 277 | S | 42.6 | Very low | 34 | Very low | 98 Ų | 98 | 101.4 Ų | 101.4 | 69% | 0.685 | 64% | 0.643 | S | S | * | * | trans | -107.5 | 130.5 | 131.4 | -44.6 | 0 | 0 | 0 | 0 | 104.3 | ||||
| 278 | A | 57.3 | Low | 34.2 | Very low | 79 Ų | 79 | 102.3 Ų | 102.3 | 65% | 0.653 | 66% | 0.656 | S | S | * | * | cis | 51.5 | 67 | 32.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 279 | P | 54.9 | Low | 34.9 | Very low | 123 Ų | 123 | 105.6 Ų | 105.6 | 80% | 0.799 | 69% | 0.685 | S | S | * | * | trans | -62.7 | 164.6 | 162.3 | -17.6 | 32.7 | 0 | 0 | 0 | 112.2 | ||||
| 280 | L | 12.1 | Very low | 35.1 | Very low | 174 Ų | 174 | 105.9 Ų | 105.9 | 91% | 0.911 | 70% | 0.695 | S | S | * | * | trans | -119.8 | 111.5 | -170.7 | -63.8 | 174.7 | 0 | 0 | 0 | 113.3 | ||||
| 281 | A | 37.9 | Very low | 35 | Very low | 97 Ų | 97 | 106.5 Ų | 106.5 | 80% | 0.802 | 69% | 0.689 | S | S | * | * | trans | -147.7 | 139.1 | 162.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 282 | S | 43.2 | Very low | 34.4 | Very low | 111 Ų | 111 | 110.5 Ų | 110.5 | 78% | 0.776 | 71% | 0.714 | S | S | * | * | cis | 82.5 | 121.5 | 18.7 | -161.7 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 283 | S | 41 | Very low | 34.6 | Very low | 78 Ų | 78 | 112.9 Ų | 112.9 | 55% | 0.545 | 73% | 0.728 | S | S | . | * | cis | -163.3 | 168 | -16 | 57.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 284 | Y | 28.9 | Very low | 34.4 | Very low | 214 Ų | 214 | 112.5 Ų | 112.5 | 84% | 0.839 | 72% | 0.721 | S | S | * | * | trans | 59.5 | -155.6 | 162 | -95.1 | -83.9 | 0 | 0 | 0 | 115.2 | ||||
| 285 | I | 26.1 | Very low | 33.6 | Very low | 135 Ų | 135 | 116.9 Ų | 116.9 | 69% | 0.692 | 73% | 0.727 | S | S | * | * | trans | 68.4 | 74.6 | 154.6 | -39.7 | -174.9 | 0 | 0 | 0 | 116.1 | ||||
| 286 | Q | 32.1 | Very low | 33 | Very low | 126 Ų | 126 | 120 Ų | 120 | 59% | 0.589 | 73% | 0.73 | S | S | * | * | cis | -163.5 | 143.1 | -12.5 | -112.5 | 128.1 | 9.6 | 0 | 0 | 109.6 | ||||
| 287 | T | 21.7 | Very low | 32.4 | Very low | 129 Ų | 129 | 120 Ų | 120 | 79% | 0.791 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 17.8 | 99.1 | 157.7 | 52.4 | 0 | 0 | 0 | 0 | 118.8 | A289 | T287-A289 PolarHBondContact O-N 3.29Š|
| 288 | A | 25.7 | Very low | 31.5 | Very low | 75 Ų | 75 | 124 Ų | 124 | 62% | 0.62 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 57.9 | -7.5 | 161.8 | 0 | 0 | 0 | 0 | 0 | 119 | V291 | A288-V291 WeakPolarHBondContact O-CB 3.35Å; A288-V291 PolarHBondContact O-N 2.97Å |
| 289 | A | 37.5 | Very low | 29.8 | Very low | 90 Ų | 90 | 131.9 Ų | 131.9 | 74% | 0.744 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.8 | 75.9 | 170 | 0 | 0 | 0 | 0 | 0 | 107.7 | T287 | T287-A289 PolarHBondContact O-N 3.29Š|
| 290 | A | 33.4 | Very low | 28.6 | Very low | 82 Ų | 82 | 135.2 Ų | 135.2 | 68% | 0.678 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | -131.6 | 57 | 63.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | L292 | A290-L292 PolarHBondContact O-N 3.46Å; A290-L292 VanDerWaalsContact O-N 3.16Å | |
| 291 | V | 23.5 | Very low | 29.8 | Very low | 101 Ų | 101 | 133.6 Ų | 133.6 | 61% | 0.612 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75 | 8.2 | 168.6 | 175 | 0 | 0 | 0 | 0 | 112.1 | A288 S294 | A288-V291 WeakPolarHBondContact O-CB 3.35Å; A288-V291 PolarHBondContact O-N 2.97Å; V291-S294 VanDerWaalsContact C-OG 3.25Å; V291-S294 PolarHBondContact O-OG 2.04Å |
| 292 | L | 21.4 | Very low | 30 | Very low | 156 Ų | 156 | 135.1 Ų | 135.1 | 82% | 0.817 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126 | 20.5 | -178.5 | -70.4 | 174.7 | 0 | 0 | 0 | 115.2 | A290 S294 | A290-L292 PolarHBondContact O-N 3.46Å; A290-L292 VanDerWaalsContact O-N 3.16Å; L292-S294 VanDerWaalsContact C-CB 3.45Å |
| 293 | V | 37.3 | Very low | 30.5 | Very low | 131 Ų | 131 | 135.9 Ų | 135.9 | 79% | 0.794 | 74% | 0.741 | S | S | * | * | trans | -143.7 | 70.4 | 156.7 | -167.8 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 294 | S | 27.3 | Very low | 31.3 | Very low | 64 Ų | 64 | 135.6 Ų | 135.6 | 45% | 0.448 | 73% | 0.733 | S | S | . | * | cis | 66.1 | 96.2 | 25.1 | -56.7 | 0 | 0 | 0 | 0 | 115 | V291 L292 | V291-S294 VanDerWaalsContact C-OG 3.25Å; V291-S294 PolarHBondContact O-OG 2.04Å; L292-S294 VanDerWaalsContact C-CB 3.45Å | ||
| 295 | F | 22.7 | Very low | 33 | Very low | 195 Ų | 195 | 125.4 Ų | 125.4 | 86% | 0.855 | 69% | 0.693 | S | S | * | * | trans | 75.6 | 153.9 | 168.6 | -61.6 | -88.2 | 0 | 0 | 0 | 118.9 | ||||
| 296 | I | 24.6 | Very low | 35 | Very low | 160 Ų | 160 | 120.9 Ų | 120.9 | 82% | 0.821 | 67% | 0.673 | S | S | * | * | trans | 69.1 | 70.3 | 167.7 | -27.9 | 180 | 0 | 0 | 0 | 118.4 | ||||
| 297 | A | 28.9 | Very low | 36.7 | Very low | 103 Ų | 103 | 121.9 Ų | 121.9 | 85% | 0.851 | 68% | 0.678 | S | S | * | * | trans | -152.5 | 71.1 | 152.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 298 | F | 23.5 | Very low | 38.2 | Very low | 181 Ų | 181 | 120.3 Ų | 120.3 | 79% | 0.794 | 66% | 0.662 | S | S | * | * | trans | -84.8 | 162.9 | 175.1 | -83.6 | -111.2 | 0 | 0 | 0 | 111.7 | ||||
| 299 | W | 22.2 | Very low | 39.6 | Very low | 245 Ų | 245 | 126.1 Ų | 126.1 | 93% | 0.928 | 67% | 0.673 | S | S | * | * | trans | 80.7 | 87.3 | 169.8 | -52 | 98.8 | 0 | 0 | 0 | 118.4 | ||||
| 300 | Q | 29.5 | Very low | 40.5 | Very low | 193 Ų | 193 | 126.4 Ų | 126.4 | 90% | 0.902 | 67% | 0.666 | S | S | * | * | trans | -153.8 | 168.9 | 146.8 | -115.6 | 160.7 | -0.5 | 0 | 0 | 112 | ||||
| 301 | N | 37.1 | Very low | 41.5 | Very low | 139 Ų | 139 | 125.3 Ų | 125.3 | 74% | 0.743 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 161.3 | -152.4 | -64.7 | -56.8 | 0 | 0 | 0 | 115.8 | ||
| 302 | P | 42 | Very low | 43.6 | Very low | 130 Ų | 130 | 128.4 Ų | 128.4 | 84% | 0.844 | 66% | 0.655 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 139.4 | 175 | -20.4 | 33.2 | 0 | 0 | 0 | 112.5 | ||
| 303 | I | 53.8 | Low | 46.1 | Very low | 127 Ų | 127 | 122.2 Ų | 122.2 | 65% | 0.651 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -93.4 | 121.7 | -173 | -61.1 | 169.5 | 0 | 0 | 0 | 109.2 | P305 | I303-P305 WeakPolarHBondContact O-CD 3.07Š|
| 304 | D | 57.8 | Low | 47.9 | Very low | 72 Ų | 72 | 121.3 Ų | 121.3 | 39% | 0.385 | 61% | 0.612 | S | S | . | * | P | Polyproline II helix | trans | -71.1 | 118.6 | 170.1 | 176.9 | 46.3 | 0 | 0 | 0 | 109.2 | Q307 | D304-Q307 HydrophobicContact CB-CG 4.15Å; D304-Q307 WeakPolarHBondContact O-CB 3.42Å; D304-Q307 VanDerWaalsContact O-CG 3.32Å; D304-Q307 WeakPolarHBondContact O-CG 3.44Å; D304-Q307 PolarHBondContact O-N 2.85Å; D304-Q307 WeakPolarHBondContact OD2-CG 3.47Å; D304-Q307 PolarHBondContact OD2-NE2 2.95Å |
| 305 | P | 64.8 | Low | 50.4 | Low | 0 Ų | 0 | 119.8 Ų | 119.8 | 0% | 0 | 60% | 0.598 | C | S | . | * | G | 310 helix | trans | -92.6 | -21.2 | -160.3 | 40.6 | -39 | 0 | 0 | 0 | 111.3 | A261 V263 N264 I303 Q307 E308 N319 | A261-P305 HydrophobicContact CB-CB 3.88Å; A261-P305 HydrophobicContact CB-CG 3.55Å; A261-P305 WeakPolarHBondContact O-CB 3.06Å; A261-P305 WeakPolarHBondContact O-CG 2.97Å; V263-P305 HydrophobicContact CB-CB 4.28Å; V263-P305 HydrophobicContact CG2-CB 3.37Å; N264-P305 PolarHBondContact ND2-O 2.98Å; N264-P305 WeakPolarHBondContact OD1-CA 3.49Å; N264-P305 WeakPolarHBondContact OD1-CB 2.99Å; N264-P305 PolarHBondContact OD1-O 2.03Å; I303-P305 WeakPolarHBondContact O-CD 3.07Å; P305-Q307 PolarHBondContact O-N 3.45Å; P305-E308 PolarHBondContact O-N 3.21Å; P305-N319 WeakPolarHBondContact CD-ND2 3.4Å |
| 306 | C | 68.8 | Low | 53.2 | Low | 40 Ų | 40 | 114.7 Ų | 114.7 | 27% | 0.27 | 58% | 0.576 | S | S | . | * | G | 310 helix | trans | -57.1 | -10 | 168.3 | -68.8 | 0 | 0 | 0 | 0 | 113.2 | C317 A324 | C306-C317 HydrophobicContact CB-CB 4.05Å; C306-C317 WeakPolarHBondContact CB-SG 3.48Å; C306-C317 WeakPolarHBondContact SG-CB 3.48Å; C306-C317 CovalentContact SG-SG 2.06Å; C306-C317 PolarHBondContact SG-SG 3.19Å; C306-A324 VanDerWaalsContact SG-CB 3.57Å |
| 307 | Q | 67.1 | Low | 55.7 | Low | 146 Ų | 146 | 109.3 Ų | 109.3 | 68% | 0.682 | 55% | 0.552 | S | S | * | * | G | 310 helix | trans | -79.4 | -27.3 | 169.8 | -50.3 | -55.4 | -43.1 | 0 | 0 | 114 | D304 P305 | D304-Q307 HydrophobicContact CB-CG 4.15Å; D304-Q307 WeakPolarHBondContact O-CB 3.42Å; D304-Q307 VanDerWaalsContact O-CG 3.32Å; D304-Q307 WeakPolarHBondContact O-CG 3.44Å; D304-Q307 PolarHBondContact O-N 2.85Å; D304-Q307 WeakPolarHBondContact OD2-CG 3.47Å; D304-Q307 PolarHBondContact OD2-NE2 2.95Å; P305-Q307 PolarHBondContact O-N 3.45Å |
| 308 | E | 53.6 | Low | 57.9 | Low | 97 Ų | 97 | 108 Ų | 108 | 45% | 0.453 | 53% | 0.53 | S | S | . | . | S | Bend | trans | -86.3 | 130.3 | 177.4 | -73.6 | -156.2 | 156.3 | 0 | 0 | 112.1 | V263 N264 P305 T310 | V263-E308 HydrophobicContact CB-CB 4.39Å; V263-E308 HydrophobicContact CG1-CB 3.65Å; V263-E308 HydrophobicContact CG2-CB 3.83Å; V263-E308 HydrophobicContact CG2-CG 4.27Å; N264-E308 PolarHBondContact ND2-O 3.38Å; P305-E308 PolarHBondContact O-N 3.21Å; E308-T310 VanDerWaalsContact C-N 3.26Å; E308-T310 PolarHBondContact O-N 3.27Å |
| 309 | K | 54.6 | Low | 60.1 | Low | 196 Ų | 196 | 102.5 Ų | 102.5 | 85% | 0.852 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74 | 10.3 | -164.4 | -78.4 | 176.5 | 173.1 | 170.1 | 0 | 116.7 | V311 | K309-V311 PolarHBondContact O-N 3.11Š|
| 310 | T | 55.9 | Low | 62.4 | Low | 97 Ų | 97 | 94.9 Ų | 94.9 | 60% | 0.595 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -30.1 | -162.7 | 69.3 | 0 | 0 | 0 | 0 | 114.9 | V263 E308 | V263-T310 HydrophobicContact CG1-CG2 4.12Å; V263-T310 WeakPolarHBondContact CG1-OG1 3.25Å; E308-T310 VanDerWaalsContact C-N 3.26Å; E308-T310 PolarHBondContact O-N 3.27Å |
| 311 | V | 56.2 | Low | 63.5 | Low | 58 Ų | 58 | 93.7 Ų | 93.7 | 35% | 0.352 | 49% | 0.49 | S | S | . | . | S | Bend | trans | -139.1 | 139.2 | 156.8 | -158.7 | 0 | 0 | 0 | 0 | 110 | I265 K309 V339 | I265-V311 HydrophobicContact CD1-CB 3.34Å; I265-V311 HydrophobicContact CD1-CG2 3.28Å; I265-V311 HydrophobicContact CG1-CB 3.77Å; I265-V311 HydrophobicContact CG1-CG2 3.79Å; K309-V311 PolarHBondContact O-N 3.11Å; V311-V339 HydrophobicContact CG1-CG2 3.51Å |
| 312 | K | 66.5 | Low | 64.7 | Low | 167 Ų | 167 | 88 Ų | 88 | 73% | 0.726 | 46% | 0.463 | S | S | * | . | trans | -92.9 | 127.2 | 176.9 | -57 | 166.2 | -178.6 | 173.5 | 0 | 108.4 | V339 | K312-V339 WeakPolarHBondContact O-CG1 2.99Å; K312-V339 WeakPolarHBondContact O-CG2 3.27Å | ||
| 313 | C | 73.6 | Confident | 65.7 | Low | 26 Ų | 26 | 87.2 Ų | 87.2 | 18% | 0.176 | 44% | 0.444 | C | S | . | . | trans | -68.5 | 149.9 | 153.1 | -73.2 | 0 | 0 | 0 | 0 | 109.1 | H315 C317 C326 | C313-H315 WeakPolarHBondContact CB-O 3.19Å; C313-C317 HydrophobicContact CB-CB 4.44Å; C313-C326 WeakPolarHBondContact CA-SG 3.36Å; C313-C326 HydrophobicContact CB-CB 3.99Å; C313-C326 WeakPolarHBondContact CB-SG 3.3Å; C313-C326 WeakPolarHBondContact SG-CA 3.31Å; C313-C326 WeakPolarHBondContact SG-CB 3.02Å; C313-C326 CovalentContact SG-SG 2.04Å; C313-C326 PolarHBondContact SG-SG 3.23Å | ||
| 314 | E | 74.7 | Confident | 66.4 | Low | 111 Ų | 111 | 81.2 Ų | 81.2 | 52% | 0.519 | 41% | 0.413 | S | S | . | . | S | Bend | trans | -74 | -36.9 | 167.4 | -174.2 | 166.7 | -152.5 | 0 | 0 | 111.2 | V339 S340 C341 | E314-V339 PolarHBondContact N-O 3.14Å; E314-S340 WeakPolarHBondContact OE2-CA 3.26Å; E314-S340 WeakPolarHBondContact OE2-CB 3.34Å; E314-C341 PolarHBondContact OE2-N 3.35Å |
| 315 | H | 81.6 | Confident | 67.4 | Low | 32 Ų | 32 | 80.5 Ų | 80.5 | 15% | 0.148 | 41% | 0.411 | C | S | . | . | S | Bend | trans | -117.3 | -132.4 | 176.9 | -63.5 | 149.7 | 0 | 0 | 0 | 111.6 | C313 C317 Q327 Y329 Y332 C341 | C313-H315 WeakPolarHBondContact CB-O 3.19Å; H315-C317 PolarHBondContact O-N 3.46Å; H315-Q327 WeakPolarHBondContact CB-O 3.46Å; H315-Y329 HydrophobicContact CB-CD2 4.27Å; H315-Y329 HydrophobicContact CB-CE2 4.18Å; H315-Y329 AromaticContact CD2-CD2 3.34Å; H315-Y329 WeakPolarHBondContact CD2-CD2 2.99Å; H315-Y329 AromaticContact CD2-CE2 3.12Å; H315-Y329 WeakPolarHBondContact CD2-CE2 3.31Å; H315-Y329 AromaticContact CE1-CD2 3.68Å; H315-Y329 AromaticContact CG-CD2 3.55Å; H315-Y329 AromaticContact CG-CE2 3.65Å; H315-Y329 AromaticContact ND1-CD2 3.76Å; H315-Y329 AromaticContact NE2-CD2 3.41Å; H315-Y329 WeakPolarHBondContact NE2-CD2 3.46Å; H315-Y329 AromaticContact NE2-CE2 3.55Å; H315-Y332 AromaticContact CE1-CD1 3.73Å; H315-Y332 AromaticContact CE1-CD2 3.85Å; H315-Y332 AromaticContact CE1-CE1 3.74Å; H315-Y332 AromaticContact CE1-CE2 3.86Å; H315-Y332 AromaticContact CE1-CG 3.77Å; H315-Y332 AromaticContact CE1-CZ 3.8Å; H315-C341 VanDerWaalsContact CE1-CB 3.48Å; H315-C341 WeakPolarHBondContact CE1-CB 3.05Å; H315-C341 WeakPolarHBondContact ND1-CB 3.22Å; H315-C341 PolarHBondContact ND1-SG 3.23Å |
| 316 | H | 80.3 | Confident | 68.2 | Low | 88 Ų | 88 | 80.8 Ų | 80.8 | 41% | 0.407 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 123.7 | -169.5 | -67.9 | -77.4 | 0 | 0 | 0 | 113.7 | L318 V325 C326 Q327 Y329 | H316-L318 HydrophobicContact CB-CG 4.37Å; H316-V325 VanDerWaalsContact O-O 3.12Å; H316-C326 VanDerWaalsContact O-CA 3.28Å; H316-C326 WeakPolarHBondContact O-CA 3.42Å; H316-Q327 HydrophobicContact CB-CB 4.29Å; H316-Q327 WeakPolarHBondContact CB-O 3.24Å; H316-Q327 PolarHBondContact N-O 3.05Å; H316-Q327 PolarHBondContact O-N 2.84Å; H316-Y329 AromaticContact CD2-CD1 3.81Å; H316-Y329 AromaticContact CD2-CE1 3.78Å; H316-Y329 AromaticContact CE1-CE1 3.78Å; H316-Y329 AromaticContact NE2-CD1 3.41Å; H316-Y329 WeakPolarHBondContact NE2-CD1 3.45Å; H316-Y329 AromaticContact NE2-CE1 3.27Å; H316-Y329 VanDerWaalsContact NE2-CE1 3.27Å; H316-Y329 WeakPolarHBondContact NE2-CE1 3.26Å |
| 317 | C | 77.2 | Confident | 68.7 | Low | 47 Ų | 47 | 84 Ų | 84 | 32% | 0.318 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 106.1 | 165 | -170.4 | 0 | 0 | 0 | 0 | 109.3 | C306 C313 H315 A324 | C306-C317 HydrophobicContact CB-CB 4.05Å; C306-C317 WeakPolarHBondContact CB-SG 3.48Å; C306-C317 WeakPolarHBondContact SG-CB 3.48Å; C306-C317 CovalentContact SG-SG 2.06Å; C306-C317 PolarHBondContact SG-SG 3.19Å; C313-C317 HydrophobicContact CB-CB 4.44Å; H315-C317 PolarHBondContact O-N 3.46Å; C317-A324 VanDerWaalsContact SG-CB 3.52Å |
| 318 | L | 76 | Confident | 69.5 | Low | 75 Ų | 75 | 78.3 Ų | 78.3 | 39% | 0.393 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 99.4 | -179.1 | -70.7 | 174.7 | 0 | 0 | 0 | 112.3 | H316 V320 A324 V325 Q327 | H316-L318 HydrophobicContact CB-CG 4.37Å; L318-V320 PolarHBondContact O-N 3.41Å; L318-A324 VanDerWaalsContact C-CB 3.49Å; L318-A324 WeakPolarHBondContact O-CA 3.19Å; L318-V325 PolarHBondContact N-O 2.03Å; L318-V325 PolarHBondContact O-N 3.3Å; L318-Q327 HydrophobicContact CD1-CB 4.46Å; L318-Q327 VanDerWaalsContact CD1-CD 3.46Å; L318-Q327 HydrophobicContact CD1-CG 4.07Å |
| 319 | N | 69.6 | Low | 70.8 | Confident | 67 Ų | 67 | 78.4 Ų | 78.4 | 36% | 0.358 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 108 | -178.4 | -176.5 | 11.6 | 0 | 0 | 0 | 113.4 | P305 G322 R323 A324 | P305-N319 WeakPolarHBondContact CD-ND2 3.4Å; N319-G322 PolarHBondContact OD1-N 3.1Å; N319-R323 PolarHBondContact OD1-N 3.03Å; N319-A324 HydrophobicContact CB-CB 4.31Å |
| 320 | V | 69 | Low | 71.9 | Confident | 84 Ų | 84 | 79 Ų | 79 | 51% | 0.509 | 40% | 0.399 | S | S | . | . | trans | -113.2 | 111.9 | 177.7 | 179.7 | 0 | 0 | 0 | 0 | 110.5 | L318 G322 R323 | L318-V320 PolarHBondContact O-N 3.41Å; V320-G322 PolarHBondContact O-N 2.98Å; V320-G322 VanDerWaalsContact O-N 3.16Å; V320-R323 WeakPolarHBondContact CA-O 3.39Å; V320-R323 PolarHBondContact N-O 3.14Å; V320-R323 PolarHBondContact O-N 2.85Å | ||
| 321 | N | 53 | Low | 72.6 | Confident | 169 Ų | 169 | 74.7 Ų | 74.7 | 90% | 0.904 | 37% | 0.374 | S | S | * | . | S | Bend | trans | 51.6 | 33.9 | 177.5 | -72.5 | -14 | 0 | 0 | 0 | 114.9 | ||
| 322 | G | 63.5 | Low | 73.8 | Confident | 18 Ų | 18 | 74.3 Ų | 74.3 | 19% | 0.186 | 37% | 0.367 | C | S | . | . | S | Bend | trans | 77.9 | 42.5 | -173.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | M260 A261 N319 V320 | M260-G322 VanDerWaalsContact C-CA 3.45Å; M260-G322 CarbonylContact C-O 3.3Å; M260-G322 CarbonylContact O-C 3.58Å; M260-G322 WeakPolarHBondContact O-CA 3.37Å; A261-G322 VanDerWaalsContact CB-O 3.23Å; A261-G322 WeakPolarHBondContact CB-O 3.04Å; A261-G322 PolarHBondContact N-O 3.19Å; N319-G322 PolarHBondContact OD1-N 3.1Å; V320-G322 PolarHBondContact O-N 2.98Å; V320-G322 VanDerWaalsContact O-N 3.16Å |
| 323 | R | 62.6 | Low | 74.4 | Confident | 115 Ų | 115 | 71.4 Ų | 71.4 | 43% | 0.434 | 36% | 0.356 | S | S | . | . | trans | -165.3 | 101.3 | 169.6 | -167.7 | -149.1 | -162.6 | 161.5 | 16.2 | 107.7 | I265 V267 N319 V320 | I265-R323 WeakPolarHBondContact O-CG 3.28Å; I265-R323 PolarHBondContact O-NE 3.28Å; V267-R323 VanDerWaalsContact CB-NH2 3.32Å; N319-R323 PolarHBondContact OD1-N 3.03Å; V320-R323 WeakPolarHBondContact CA-O 3.39Å; V320-R323 PolarHBondContact N-O 3.14Å; V320-R323 PolarHBondContact O-N 2.85Å | ||
| 324 | A | 68.7 | Low | 74.8 | Confident | 0 Ų | 0 | 73.1 Ų | 73.1 | 0% | 0 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 160.7 | 165.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | N264 C306 C317 L318 N319 | N264-A324 VanDerWaalsContact C-N 3.29Å; N264-A324 HydrophobicContact CB-CB 4.06Å; N264-A324 CarbonylContact O-C 3.57Å; N264-A324 WeakPolarHBondContact O-CA 3.02Å; N264-A324 WeakPolarHBondContact O-CB 3.28Å; N264-A324 PolarHBondContact O-N 3.24Å; C306-A324 VanDerWaalsContact SG-CB 3.57Å; C317-A324 VanDerWaalsContact SG-CB 3.52Å; L318-A324 VanDerWaalsContact C-CB 3.49Å; L318-A324 WeakPolarHBondContact O-CA 3.19Å; N319-A324 HydrophobicContact CB-CB 4.31Å |
| 325 | V | 77.9 | Confident | 74.7 | Confident | 58 Ų | 58 | 69.2 Ų | 69.2 | 35% | 0.352 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 130.6 | -178.7 | -179.7 | 0 | 0 | 0 | 0 | 106.6 | H316 L318 Q327 | H316-V325 VanDerWaalsContact O-O 3.12Å; L318-V325 PolarHBondContact N-O 2.03Å; L318-V325 PolarHBondContact O-N 3.3Å; V325-Q327 PolarHBondContact O-N 3.09Å |
| 326 | C | 81.1 | Confident | 74.4 | Confident | 6 Ų | 6 | 75.3 Ų | 75.3 | 4% | 0.041 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 119.6 | 172.4 | -61 | 0 | 0 | 0 | 0 | 109.1 | V266 C313 H316 L334 | V266-C326 WeakPolarHBondContact CG1-SG 3.47Å; V266-C326 HydrophobicContact CG2-CB 4.22Å; V266-C326 WeakPolarHBondContact CG2-SG 3.25Å; C313-C326 WeakPolarHBondContact CA-SG 3.36Å; C313-C326 HydrophobicContact CB-CB 3.99Å; C313-C326 WeakPolarHBondContact CB-SG 3.3Å; C313-C326 WeakPolarHBondContact SG-CA 3.31Å; C313-C326 WeakPolarHBondContact SG-CB 3.02Å; C313-C326 CovalentContact SG-SG 2.04Å; C313-C326 PolarHBondContact SG-SG 3.23Å; H316-C326 VanDerWaalsContact O-CA 3.28Å; H316-C326 WeakPolarHBondContact O-CA 3.42Å; C326-L334 HydrophobicContact CB-CD1 4.15Å |
| 327 | Q | 79 | Confident | 74.2 | Confident | 107 Ų | 107 | 73.5 Ų | 73.5 | 50% | 0.5 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 127.8 | 164.8 | -67.1 | -172.4 | 0.4 | 0 | 0 | 108.9 | H315 H316 L318 V325 | H315-Q327 WeakPolarHBondContact CB-O 3.46Å; H316-Q327 HydrophobicContact CB-CB 4.29Å; H316-Q327 WeakPolarHBondContact CB-O 3.24Å; H316-Q327 PolarHBondContact N-O 3.05Å; H316-Q327 PolarHBondContact O-N 2.84Å; L318-Q327 HydrophobicContact CD1-CB 4.46Å; L318-Q327 VanDerWaalsContact CD1-CD 3.46Å; L318-Q327 HydrophobicContact CD1-CG 4.07Å; V325-Q327 PolarHBondContact O-N 3.09Å |
| 328 | C | 84.1 | Confident | 73.9 | Confident | 26 Ų | 26 | 74.6 Ų | 74.6 | 18% | 0.176 | 36% | 0.364 | C | S | . | . | P | Polyproline II helix | trans | -76.2 | 152.1 | 174.3 | -55.1 | 0 | 0 | 0 | 0 | 110.4 | L334 C341 | C328-L334 VanDerWaalsContact SG-CA 3.58Å; C328-C341 WeakPolarHBondContact CA-SG 3.44Å; C328-C341 HydrophobicContact CB-CB 3.7Å; C328-C341 WeakPolarHBondContact CB-SG 3.31Å; C328-C341 VanDerWaalsContact SG-CA 3.56Å; C328-C341 WeakPolarHBondContact SG-CB 3.23Å; C328-C341 CovalentContact SG-SG 2.03Å; C328-C341 PolarHBondContact SG-SG 2.88Å |
| 329 | Y | 82 | Confident | 74 | Confident | 99 Ų | 99 | 72 Ų | 72 | 39% | 0.388 | 35% | 0.351 | S | S | . | . | P | Polyproline II helix | trans | -59.2 | 153.4 | 167.9 | -58.5 | -56.6 | 0 | 0 | 0 | 110.6 | H315 H316 G331 Y332 | H315-Y329 HydrophobicContact CB-CD2 4.27Å; H315-Y329 HydrophobicContact CB-CE2 4.18Å; H315-Y329 AromaticContact CD2-CD2 3.34Å; H315-Y329 WeakPolarHBondContact CD2-CD2 2.99Å; H315-Y329 AromaticContact CD2-CE2 3.12Å; H315-Y329 WeakPolarHBondContact CD2-CE2 3.31Å; H315-Y329 AromaticContact CE1-CD2 3.68Å; H315-Y329 AromaticContact CG-CD2 3.55Å; H315-Y329 AromaticContact CG-CE2 3.65Å; H315-Y329 AromaticContact ND1-CD2 3.76Å; H315-Y329 AromaticContact NE2-CD2 3.41Å; H315-Y329 WeakPolarHBondContact NE2-CD2 3.46Å; H315-Y329 AromaticContact NE2-CE2 3.55Å; H316-Y329 AromaticContact CD2-CD1 3.81Å; H316-Y329 AromaticContact CD2-CE1 3.78Å; H316-Y329 AromaticContact CE1-CE1 3.78Å; H316-Y329 AromaticContact NE2-CD1 3.41Å; H316-Y329 WeakPolarHBondContact NE2-CD1 3.45Å; H316-Y329 AromaticContact NE2-CE1 3.27Å; H316-Y329 VanDerWaalsContact NE2-CE1 3.27Å; H316-Y329 WeakPolarHBondContact NE2-CE1 3.26Å; Y329-G331 PolarHBondContact O-N 3.45Å; Y329-Y332 HydrophobicContact CD2-CE2 4.32Å; Y329-Y332 WeakPolarHBondContact O-CB 3.45Å; Y329-Y332 PolarHBondContact O-N 3.26Å |
| 330 | K | 77.8 | Confident | 74.4 | Confident | 208 Ų | 208 | 70.3 Ų | 70.3 | 90% | 0.904 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | 132.6 | 172.2 | -174.1 | 177.3 | -178.9 | 176.8 | 0 | 109.6 | ||
| 331 | G | 70.3 | Confident | 75.1 | Confident | 7 Ų | 7 | 66.6 Ų | 66.6 | 7% | 0.072 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 98.8 | -8.3 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y329 I344 | Y329-G331 PolarHBondContact O-N 3.45Å; G331-I344 VanDerWaalsContact O-CB 3.27Å; G331-I344 WeakPolarHBondContact O-CB 3.29Å; G331-I344 WeakPolarHBondContact O-CG1 3.34Å; G331-I344 PolarHBondContact O-N 3.44Å |
| 332 | Y | 82.2 | Confident | 76.4 | Confident | 51 Ų | 51 | 60.8 Ų | 60.8 | 20% | 0.2 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 143.8 | 174.6 | -64.4 | -100 | 0 | 0 | 0 | 111.2 | H315 Y329 C341 D343 P363 | H315-Y332 AromaticContact CE1-CD1 3.73Å; H315-Y332 AromaticContact CE1-CD2 3.85Å; H315-Y332 AromaticContact CE1-CE1 3.74Å; H315-Y332 AromaticContact CE1-CE2 3.86Å; H315-Y332 AromaticContact CE1-CG 3.77Å; H315-Y332 AromaticContact CE1-CZ 3.8Å; Y329-Y332 HydrophobicContact CD2-CE2 4.32Å; Y329-Y332 WeakPolarHBondContact O-CB 3.45Å; Y329-Y332 PolarHBondContact O-N 3.26Å; Y332-C341 HydrophobicContact CD1-CB 4.31Å; Y332-C341 VanDerWaalsContact CD1-O 3.3Å; Y332-C341 WeakPolarHBondContact CD1-O 3.13Å; Y332-C341 HydrophobicContact CG-CB 4.49Å; Y332-D343 HydrophobicContact CD1-CB 4.33Å; Y332-D343 HydrophobicContact CE1-CB 4.5Å; Y332-P363 HydrophobicContact CE1-CB 4Å; Y332-P363 WeakPolarHBondContact OH-CB 3.27Å; Y332-P363 PolarHBondContact OH-O 2.95Å |
| 333 | Q | 78.4 | Confident | 77.2 | Confident | 105 Ų | 105 | 61.9 Ų | 61.9 | 49% | 0.491 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 141.9 | 171.3 | 56.5 | 173.6 | -27.6 | 0 | 0 | 110.1 | S335 C341 S342 I344 | Q333-S335 PolarHBondContact O-N 2.86Å; Q333-C341 CarbonylContact O-C 3.52Å; Q333-S342 VanDerWaalsContact CG-O 3.28Å; Q333-S342 WeakPolarHBondContact CG-O 3.18Å; Q333-S342 WeakPolarHBondContact CG-OG 3.32Å; Q333-S342 PolarHBondContact N-O 2.77Å; Q333-S342 PolarHBondContact O-N 2.87Å; Q333-S342 PolarHBondContact O-OG 3.16Å; Q333-S342 VanDerWaalsContact O-OG 3.13Å; Q333-I344 HydrophobicContact CB-CD1 4.16Å; Q333-I344 HydrophobicContact CB-CG1 3.76Å; Q333-I344 HydrophobicContact CG-CG1 3.9Å |
| 334 | L | 81.3 | Confident | 78 | Confident | 62 Ų | 62 | 59 Ų | 59 | 33% | 0.325 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 123.1 | 175.1 | -168.1 | 66.6 | 0 | 0 | 0 | 108.9 | K271 C326 C328 K338 | K271-L334 PolarHBondContact NZ-O 2.83Å; C326-L334 HydrophobicContact CB-CD1 4.15Å; C328-L334 VanDerWaalsContact SG-CA 3.58Å; L334-K338 HydrophobicContact CD2-CB 4.17Å; L334-K338 HydrophobicContact CD2-CG 3.93Å; L334-K338 HydrophobicContact CG-CB 4.46Å; L334-K338 HydrophobicContact CG-CG 4.42Å |
| 335 | S | 73.6 | Confident | 78.4 | Confident | 29 Ų | 29 | 61.9 Ų | 61.9 | 20% | 0.203 | 30% | 0.304 | C | S | . | . | trans | -59.8 | -177 | -170.3 | -178.6 | 0 | 0 | 0 | 0 | 112.1 | K271 Q333 S340 S342 | K271-S335 PolarHBondContact NZ-O 3.17Å; Q333-S335 PolarHBondContact O-N 2.86Å; S335-S340 WeakPolarHBondContact CB-O 3.31Å; S335-S340 PolarHBondContact N-O 3.44Å; S335-S342 WeakPolarHBondContact CA-OG 3.37Å | ||
| 336 | Y | 75.8 | Confident | 78.6 | Confident | 160 Ų | 160 | 60.8 Ų | 60.8 | 63% | 0.627 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -68.3 | 167.5 | -93.2 | -102.1 | 0 | 0 | 0 | 109.9 | K271 V272 K338 | K271-Y336 VanDerWaalsContact C-C 3.43Å; K271-Y336 CarbonylContact C-O 3.53Å; K271-Y336 WeakPolarHBondContact CA-O 3.14Å; K271-Y336 WeakPolarHBondContact CB-O 3.02Å; K271-Y336 HydrophobicContact CD-CD1 3.92Å; K271-Y336 HydrophobicContact CD-CE1 4.29Å; K271-Y336 HydrophobicContact CD-CG 4.11Å; K271-Y336 VanDerWaalsContact CD-O 3.24Å; K271-Y336 WeakPolarHBondContact CD-O 3.25Å; K271-Y336 VanDerWaalsContact CE-CD1 3.46Å; K271-Y336 VanDerWaalsContact CE-CG 3.45Å; K271-Y336 HydrophobicContact CG-CD1 3.34Å; K271-Y336 HydrophobicContact CG-CE1 3.97Å; K271-Y336 HydrophobicContact CG-CG 3.83Å; K271-Y336 WeakPolarHBondContact CG-O 3.13Å; K271-Y336 CarbonylContact O-C 3.37Å; V272-Y336 HydrophobicContact CG2-CD1 4.32Å; V272-Y336 HydrophobicContact CG2-CG 4.42Å; V272-Y336 PolarHBondContact N-O 3.06Å; Y336-K338 PolarHBondContact O-N 2.96Å |
| 337 | D | 74.7 | Confident | 78.5 | Confident | 51 Ų | 51 | 61.5 Ų | 61.5 | 27% | 0.273 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | 47.2 | -88.4 | 120.7 | 151.8 | 31.7 | 0 | 0 | 0 | 120.4 | S268 K271 V339 S340 | S268-D337 VanDerWaalsContact CA-O 3.23Å; S268-D337 WeakPolarHBondContact CA-O 3.23Å; S268-D337 WeakPolarHBondContact CB-O 3.4Å; S268-D337 PolarHBondContact OG-O 3.5Å; K271-D337 CarbonylContact O-C 3.42Å; K271-D337 VanDerWaalsContact O-C 3.23Å; D337-V339 PolarHBondContact O-N 2.95Å; D337-V339 WeakPolarHBondContact OD1-CA 3.32Å; D337-V339 VanDerWaalsContact OD1-CB 3.32Å; D337-V339 WeakPolarHBondContact OD1-CB 3.5Å; D337-V339 PolarHBondContact OD1-N 3.5Å; D337-S340 VanDerWaalsContact CG-OG 3.26Å; D337-S340 WeakPolarHBondContact OD1-CB 3.04Å; D337-S340 PolarHBondContact OD1-N 2.02Å; D337-S340 PolarHBondContact OD1-OG 3.05Å; D337-S340 WeakPolarHBondContact OD2-CB 3.46Å; D337-S340 PolarHBondContact OD2-OG 3.09Å | |
| 338 | K | 70.9 | Confident | 78.5 | Confident | 69 Ų | 69 | 61 Ų | 61 | 30% | 0.3 | 31% | 0.308 | S | S | . | . | S | Bend | trans | 59.5 | 8 | -164.7 | -71.1 | -176.3 | -179.1 | 172.2 | 0 | 117.8 | V267 S268 A270 L334 Y336 | V267-K338 WeakPolarHBondContact O-CD 3.42Å; S268-K338 PolarHBondContact N-O 2.93Å; S268-K338 VanDerWaalsContact OG-C 3.26Å; A270-K338 WeakPolarHBondContact O-CE 3.35Å; A270-K338 PolarHBondContact O-NZ 3.36Å; L334-K338 HydrophobicContact CD2-CB 4.17Å; L334-K338 HydrophobicContact CD2-CG 3.93Å; L334-K338 HydrophobicContact CG-CB 4.46Å; L334-K338 HydrophobicContact CG-CG 4.42Å; Y336-K338 PolarHBondContact O-N 2.96Å |
| 339 | V | 78.2 | Confident | 78 | Confident | 21 Ų | 21 | 63.7 Ų | 63.7 | 13% | 0.127 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -107.7 | -50.9 | 162.3 | 139.9 | 0 | 0 | 0 | 0 | 109.4 | V266 S268 V311 K312 E314 D337 | V266-V339 HydrophobicContact CG1-CB 4.36Å; V266-V339 HydrophobicContact CG1-CG2 3.24Å; S268-V339 VanDerWaalsContact OG-CB 3.27Å; S268-V339 WeakPolarHBondContact OG-CB 3.46Å; S268-V339 WeakPolarHBondContact OG-CG2 3.41Å; S268-V339 PolarHBondContact OG-N 2.8Å; V311-V339 HydrophobicContact CG1-CG2 3.51Å; K312-V339 WeakPolarHBondContact O-CG1 2.99Å; K312-V339 WeakPolarHBondContact O-CG2 3.27Å; E314-V339 PolarHBondContact N-O 3.14Å; D337-V339 PolarHBondContact O-N 2.95Å; D337-V339 WeakPolarHBondContact OD1-CA 3.32Å; D337-V339 VanDerWaalsContact OD1-CB 3.32Å; D337-V339 WeakPolarHBondContact OD1-CB 3.5Å; D337-V339 PolarHBondContact OD1-N 3.5Å |
| 340 | S | 79.6 | Confident | 76.9 | Confident | 31 Ų | 31 | 64.4 Ų | 64.4 | 22% | 0.217 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -84 | 153.6 | -173.1 | -49.7 | 0 | 0 | 0 | 0 | 110.2 | E314 S335 D337 | E314-S340 WeakPolarHBondContact OE2-CA 3.26Å; E314-S340 WeakPolarHBondContact OE2-CB 3.34Å; S335-S340 WeakPolarHBondContact CB-O 3.31Å; S335-S340 PolarHBondContact N-O 3.44Å; D337-S340 VanDerWaalsContact CG-OG 3.26Å; D337-S340 WeakPolarHBondContact OD1-CB 3.04Å; D337-S340 PolarHBondContact OD1-N 2.02Å; D337-S340 PolarHBondContact OD1-OG 3.05Å; D337-S340 WeakPolarHBondContact OD2-CB 3.46Å; D337-S340 PolarHBondContact OD2-OG 3.09Å |
| 341 | C | 83.3 | Confident | 76.3 | Confident | 6 Ų | 6 | 60 Ų | 60 | 4% | 0.041 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 88.7 | -172.9 | -72.5 | 0 | 0 | 0 | 0 | 108.2 | E314 H315 C328 Y332 Q333 D343 | E314-C341 PolarHBondContact OE2-N 3.35Å; H315-C341 VanDerWaalsContact CE1-CB 3.48Å; H315-C341 WeakPolarHBondContact CE1-CB 3.05Å; H315-C341 WeakPolarHBondContact ND1-CB 3.22Å; H315-C341 PolarHBondContact ND1-SG 3.23Å; C328-C341 WeakPolarHBondContact CA-SG 3.44Å; C328-C341 HydrophobicContact CB-CB 3.7Å; C328-C341 WeakPolarHBondContact CB-SG 3.31Å; C328-C341 VanDerWaalsContact SG-CA 3.56Å; C328-C341 WeakPolarHBondContact SG-CB 3.23Å; C328-C341 CovalentContact SG-SG 2.03Å; C328-C341 PolarHBondContact SG-SG 2.88Å; Y332-C341 HydrophobicContact CD1-CB 4.31Å; Y332-C341 VanDerWaalsContact CD1-O 3.3Å; Y332-C341 WeakPolarHBondContact CD1-O 3.13Å; Y332-C341 HydrophobicContact CG-CB 4.49Å; Q333-C341 CarbonylContact O-C 3.52Å; C341-D343 PolarHBondContact O-N 3.32Å |
| 342 | S | 79.7 | Confident | 76.1 | Confident | 47 Ų | 47 | 64.9 Ų | 64.9 | 33% | 0.329 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 132 | 170.2 | 43 | 0 | 0 | 0 | 0 | 109.8 | Q333 S335 | Q333-S342 VanDerWaalsContact CG-O 3.28Å; Q333-S342 WeakPolarHBondContact CG-O 3.18Å; Q333-S342 WeakPolarHBondContact CG-OG 3.32Å; Q333-S342 PolarHBondContact N-O 2.77Å; Q333-S342 PolarHBondContact O-N 2.87Å; Q333-S342 PolarHBondContact O-OG 3.16Å; Q333-S342 VanDerWaalsContact O-OG 3.13Å; S335-S342 WeakPolarHBondContact CA-OG 3.37Å |
| 343 | D | 80 | Confident | 75.4 | Confident | 42 Ų | 42 | 64.8 Ų | 64.8 | 23% | 0.225 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -52.9 | 145.2 | 174.4 | -164.3 | 27.3 | 0 | 0 | 0 | 112 | Y332 C341 N361 P363 G364 | Y332-D343 HydrophobicContact CD1-CB 4.33Å; Y332-D343 HydrophobicContact CE1-CB 4.5Å; C341-D343 PolarHBondContact O-N 3.32Å; D343-N361 PolarHBondContact OD2-ND2 3.01Å; D343-P363 WeakPolarHBondContact OD1-CA 3.02Å; D343-G364 PolarHBondContact OD1-N 2.93Å |
| 344 | I | 79.4 | Confident | 75.2 | Confident | 53 Ų | 53 | 61.9 Ų | 61.9 | 27% | 0.272 | 34% | 0.344 | S | S | . | . | trans | -89.6 | 107.8 | 168 | -58.6 | 172.6 | 0 | 0 | 0 | 105.7 | G331 Q333 E346 N361 | G331-I344 VanDerWaalsContact O-CB 3.27Å; G331-I344 WeakPolarHBondContact O-CB 3.29Å; G331-I344 WeakPolarHBondContact O-CG1 3.34Å; G331-I344 PolarHBondContact O-N 3.44Å; Q333-I344 HydrophobicContact CB-CD1 4.16Å; Q333-I344 HydrophobicContact CB-CG1 3.76Å; Q333-I344 HydrophobicContact CG-CG1 3.9Å; I344-E346 HydrophobicContact CB-CG 4.46Å; I344-E346 HydrophobicContact CG2-CG 4.08Å; I344-E346 WeakPolarHBondContact O-CG 3.14Å; I344-E346 PolarHBondContact O-N 3.25Å; I344-N361 PolarHBondContact O-OD1 3.2Å | ||
| 345 | D | 76.9 | Confident | 75.1 | Confident | 61 Ų | 61 | 59 Ų | 59 | 33% | 0.326 | 33% | 0.329 | S | S | . | . | trans | -68.1 | 88.4 | 171.4 | -180 | 8.9 | 0 | 0 | 0 | 110.2 | C347 S348 L349 N361 | D345-C347 PolarHBondContact O-N 2.76Å; D345-C347 WeakPolarHBondContact OD1-CA 3.45Å; D345-C347 VanDerWaalsContact OD1-CB 3.23Å; D345-C347 WeakPolarHBondContact OD1-CB 3.03Å; D345-C347 PolarHBondContact OD1-N 3.02Å; D345-S348 WeakPolarHBondContact O-CB 3.28Å; D345-S348 PolarHBondContact O-N 2.04Å; D345-S348 PolarHBondContact OD1-N 3.15Å; D345-S348 VanDerWaalsContact OD1-N 3.15Å; D345-S348 VanDerWaalsContact OD2-CB 3.28Å; D345-S348 WeakPolarHBondContact OD2-CB 2.96Å; D345-S348 PolarHBondContact OD2-OG 3.13Å; D345-L349 PolarHBondContact O-N 2.92Å; D345-N361 WeakPolarHBondContact OD1-CB 3.07Å | ||
| 346 | E | 82.1 | Confident | 75.2 | Confident | 35 Ų | 35 | 62.5 Ų | 62.5 | 16% | 0.164 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -18.1 | 178.8 | -70.2 | 156.1 | 137.6 | 0 | 0 | 111.5 | I344 S348 L349 N353 S365 Y366 | I344-E346 HydrophobicContact CB-CG 4.46Å; I344-E346 HydrophobicContact CG2-CG 4.08Å; I344-E346 WeakPolarHBondContact O-CG 3.14Å; I344-E346 PolarHBondContact O-N 3.25Å; E346-S348 VanDerWaalsContact C-N 3.34Å; E346-L349 HydrophobicContact CB-CD1 4.31Å; E346-L349 HydrophobicContact CG-CD1 4.16Å; E346-L349 WeakPolarHBondContact O-CB 3.33Å; E346-L349 PolarHBondContact O-N 2.86Å; E346-N353 WeakPolarHBondContact O-CB 3.4Å; E346-S365 VanDerWaalsContact OE2-C 3.29Å; E346-S365 VanDerWaalsContact OE2-CA 3.24Å; E346-S365 WeakPolarHBondContact OE2-CA 3.29Å; E346-Y366 HydrophobicContact CB-CD1 3.48Å; E346-Y366 VanDerWaalsContact CB-CD1 3.48Å; E346-Y366 HydrophobicContact CB-CE1 4.2Å; E346-Y366 HydrophobicContact CB-CG 3.92Å; E346-Y366 HydrophobicContact CG-CD1 4.11Å; E346-Y366 WeakPolarHBondContact OE2-CD1 3.44Å; E346-Y366 PolarHBondContact OE2-N 2.84Å |
| 347 | C | 80.4 | Confident | 75.5 | Confident | 21 Ų | 21 | 56.4 Ų | 56.4 | 14% | 0.142 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -20.5 | 171.4 | -61.1 | 0 | 0 | 0 | 0 | 113.2 | D345 C359 V360 N361 | D345-C347 PolarHBondContact O-N 2.76Å; D345-C347 WeakPolarHBondContact OD1-CA 3.45Å; D345-C347 VanDerWaalsContact OD1-CB 3.23Å; D345-C347 WeakPolarHBondContact OD1-CB 3.03Å; D345-C347 PolarHBondContact OD1-N 3.02Å; C347-C359 WeakPolarHBondContact CA-SG 3.36Å; C347-C359 HydrophobicContact CB-CB 3.57Å; C347-C359 WeakPolarHBondContact CB-SG 3.47Å; C347-C359 WeakPolarHBondContact SG-CB 3.02Å; C347-C359 CovalentContact SG-SG 2.02Å; C347-C359 PolarHBondContact SG-SG 2.02Å; C347-V360 VanDerWaalsContact SG-C 3.55Å; C347-N361 HydrophobicContact CB-CB 4.34Å; C347-N361 PolarHBondContact SG-N 3.04Å |
| 348 | S | 79 | Confident | 75.8 | Confident | 96 Ų | 96 | 59 Ų | 59 | 67% | 0.671 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -84.7 | -5.9 | 168 | -73.9 | 0 | 0 | 0 | 0 | 113.6 | D345 E346 | D345-S348 WeakPolarHBondContact O-CB 3.28Å; D345-S348 PolarHBondContact O-N 2.04Å; D345-S348 PolarHBondContact OD1-N 3.15Å; D345-S348 VanDerWaalsContact OD1-N 3.15Å; D345-S348 VanDerWaalsContact OD2-CB 3.28Å; D345-S348 WeakPolarHBondContact OD2-CB 2.96Å; D345-S348 PolarHBondContact OD2-OG 3.13Å; E346-S348 VanDerWaalsContact C-N 3.34Å |
| 349 | L | 72.9 | Confident | 76.4 | Confident | 84 Ų | 84 | 56.6 Ų | 56.6 | 44% | 0.44 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -75.4 | 158.5 | 168.9 | -61.6 | 175.9 | 0 | 0 | 0 | 111.7 | D345 E346 D351 R352 N353 | D345-L349 PolarHBondContact O-N 2.92Å; E346-L349 HydrophobicContact CB-CD1 4.31Å; E346-L349 HydrophobicContact CG-CD1 4.16Å; E346-L349 WeakPolarHBondContact O-CB 3.33Å; E346-L349 PolarHBondContact O-N 2.86Å; L349-D351 PolarHBondContact O-N 2.91Å; L349-R352 PolarHBondContact O-N 3.43Å; L349-N353 PolarHBondContact O-N 3.46Å |
| 350 | S | 59.5 | Low | 76.4 | Confident | 113 Ų | 113 | 57.3 Ų | 57.3 | 79% | 0.79 | 33% | 0.325 | S | S | * | . | G | 310 helix | trans | -38.7 | 121.3 | -172.2 | -58.5 | 0 | 0 | 0 | 0 | 114.6 | R352 N353 | S350-R352 PolarHBondContact O-N 3.46Å; S350-N353 PolarHBondContact O-N 2.9Å |
| 351 | D | 65.3 | Low | 76.5 | Confident | 117 Ų | 117 | 58.1 Ų | 58.1 | 63% | 0.626 | 33% | 0.328 | S | S | * | . | G | 310 helix | trans | 54 | 42 | 180 | -133.2 | 1 | 0 | 0 | 0 | 114.5 | L349 N353 G354 | L349-D351 PolarHBondContact O-N 2.91Å; D351-N353 PolarHBondContact O-N 3.35Å; D351-G354 PolarHBondContact O-N 2.76Å |
| 352 | R | 64.5 | Low | 76 | Confident | 109 Ų | 109 | 60.3 Ų | 60.3 | 41% | 0.411 | 34% | 0.341 | S | S | . | . | G | 310 helix | trans | 55.2 | 37.7 | -178.4 | -55.9 | -171.3 | -57.3 | -72.2 | -4.8 | 112.9 | L349 S350 G354 C355 H356 H357 C359 | L349-R352 PolarHBondContact O-N 3.43Å; S350-R352 PolarHBondContact O-N 3.46Å; R352-G354 PolarHBondContact O-N 2.96Å; R352-C355 PolarHBondContact NH2-O 2.91Å; R352-C355 PolarHBondContact O-N 2.87Å; R352-H356 PolarHBondContact NH2-O 2.75Å; R352-H357 PolarHBondContact NE-O 2.6Å; R352-C359 HydrophobicContact CB-CB 4.01Å |
| 353 | N | 67.9 | Low | 75.8 | Confident | 48 Ų | 48 | 62.5 Ų | 62.5 | 26% | 0.257 | 35% | 0.354 | S | S | . | . | G | 310 helix | trans | 49.2 | 22.8 | -171 | -122 | -4.5 | 0 | 0 | 0 | 114.5 | E346 L349 S350 D351 Y366 K381 | E346-N353 WeakPolarHBondContact O-CB 3.4Å; L349-N353 PolarHBondContact O-N 3.46Å; S350-N353 PolarHBondContact O-N 2.9Å; D351-N353 PolarHBondContact O-N 3.35Å; N353-Y366 HydrophobicContact CB-CD2 4.32Å; N353-Y366 HydrophobicContact CB-CE1 4.23Å; N353-Y366 HydrophobicContact CB-CE2 3.75Å; N353-Y366 WeakPolarHBondContact ND2-CE1 3.42Å; N353-K381 PolarHBondContact O-NZ 3.3Å |
| 354 | G | 73.3 | Confident | 75.4 | Confident | 44 Ų | 44 | 61 Ų | 61 | 45% | 0.454 | 35% | 0.349 | S | S | . | . | G | 310 helix | trans | 87.3 | 12.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | D351 R352 H356 | D351-G354 PolarHBondContact O-N 2.76Å; R352-G354 PolarHBondContact O-N 2.96Å; G354-H356 PolarHBondContact O-N 3.04Å |
| 355 | C | 79.6 | Confident | 75.4 | Confident | 2 Ų | 2 | 60.4 Ų | 60.4 | 1% | 0.014 | 35% | 0.349 | C | S | . | . | trans | -69.9 | 122.8 | 172.8 | -69.1 | 0 | 0 | 0 | 0 | 112.4 | R352 C359 C368 | R352-C355 PolarHBondContact NH2-O 2.91Å; R352-C355 PolarHBondContact O-N 2.87Å; C355-C359 HydrophobicContact CB-CB 3.81Å; C355-C368 WeakPolarHBondContact CA-SG 3.21Å; C355-C368 HydrophobicContact CB-CB 3.71Å; C355-C368 WeakPolarHBondContact CB-SG 3.24Å; C355-C368 WeakPolarHBondContact SG-CA 3.48Å; C355-C368 WeakPolarHBondContact SG-CB 3.06Å; C355-C368 CovalentContact SG-SG 2.03Å; C355-C368 PolarHBondContact SG-SG 3.02Å | ||
| 356 | H | 77.1 | Confident | 75.7 | Confident | 103 Ų | 103 | 59.8 Ų | 59.8 | 48% | 0.477 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -62.6 | -50.4 | -176.9 | -173.3 | -101.4 | 0 | 0 | 0 | 112.9 | R352 G354 K381 | R352-H356 PolarHBondContact NH2-O 2.75Å; G354-H356 PolarHBondContact O-N 3.04Å; H356-K381 VanDerWaalsContact CB-O 3.24Å; H356-K381 WeakPolarHBondContact CB-O 3.32Å; H356-K381 PolarHBondContact N-O 3.01Å |
| 357 | H | 82.1 | Confident | 75.5 | Confident | 31 Ų | 31 | 62.6 Ų | 62.6 | 14% | 0.144 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -99.3 | -118.2 | 175.6 | -69.2 | 170.7 | 0 | 0 | 0 | 110.6 | R352 Q369 F374 C383 | R352-H357 PolarHBondContact NE-O 2.6Å; H357-Q369 WeakPolarHBondContact CB-O 3.39Å; H357-F374 AromaticContact CE1-CD1 3.76Å; H357-F374 AromaticContact CE1-CD2 3.94Å; H357-F374 AromaticContact CE1-CE1 3.92Å; H357-F374 AromaticContact CE1-CG 3.77Å; H357-C383 WeakPolarHBondContact ND1-CB 3.03Å; H357-C383 PolarHBondContact ND1-SG 3.44Å; H357-C383 VanDerWaalsContact ND1-SG 3.39Å |
| 358 | Q | 80.4 | Confident | 75.6 | Confident | 106 Ų | 106 | 61.9 Ų | 61.9 | 50% | 0.495 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 131.2 | -176.5 | -169.8 | 165.5 | -1.4 | 0 | 0 | 109 | V360 C368 Q369 | Q358-V360 HydrophobicContact CG-CG2 4.07Å; Q358-C368 CarbonylContact O-C 3.57Å; Q358-C368 WeakPolarHBondContact O-CA 3.3Å; Q358-Q369 HydrophobicContact CB-CB 4.35Å; Q358-Q369 PolarHBondContact N-O 3.24Å; Q358-Q369 PolarHBondContact O-N 3.38Å |
| 359 | C | 83.2 | Confident | 75.4 | Confident | 19 Ų | 19 | 61.5 Ų | 61.5 | 13% | 0.128 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 125.6 | 163.5 | -170.9 | 0 | 0 | 0 | 0 | 106.4 | C347 R352 C355 | C347-C359 WeakPolarHBondContact CA-SG 3.36Å; C347-C359 HydrophobicContact CB-CB 3.57Å; C347-C359 WeakPolarHBondContact CB-SG 3.47Å; C347-C359 WeakPolarHBondContact SG-CB 3.02Å; C347-C359 CovalentContact SG-SG 2.02Å; C347-C359 PolarHBondContact SG-SG 2.02Å; R352-C359 HydrophobicContact CB-CB 4.01Å; C355-C359 HydrophobicContact CB-CB 3.81Å |
| 360 | V | 78.3 | Confident | 75.8 | Confident | 35 Ų | 35 | 58.4 Ų | 58.4 | 21% | 0.212 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 111.2 | 174.1 | -179.8 | 0 | 0 | 0 | 0 | 107 | C347 Q358 T362 Y366 F367 Q369 | C347-V360 VanDerWaalsContact SG-C 3.55Å; Q358-V360 HydrophobicContact CG-CG2 4.07Å; V360-T362 HydrophobicContact CG1-CG2 4.18Å; V360-Y366 WeakPolarHBondContact O-CA 3.48Å; V360-F367 HydrophobicContact CB-CD1 4.21Å; V360-F367 HydrophobicContact CB-CE1 3.78Å; V360-F367 HydrophobicContact CB-CE2 4.31Å; V360-F367 HydrophobicContact CB-CZ 3.83Å; V360-F367 HydrophobicContact CG1-CD1 4.43Å; V360-F367 HydrophobicContact CG1-CE1 3.67Å; V360-F367 HydrophobicContact CG1-CZ 3.9Å; V360-F367 HydrophobicContact CG2-CE2 4.49Å; V360-F367 HydrophobicContact CG2-CZ 4.25Å; V360-F367 PolarHBondContact N-O 2.86Å; V360-F367 PolarHBondContact O-N 2.98Å; V360-Q369 HydrophobicContact CG2-CB 3.85Å |
| 361 | N | 81.5 | Confident | 76.8 | Confident | 49 Ų | 49 | 60.8 Ų | 60.8 | 26% | 0.262 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 135.6 | 172.5 | -173 | 49.2 | 0 | 0 | 0 | 109.2 | D343 I344 D345 C347 | D343-N361 PolarHBondContact OD2-ND2 3.01Å; I344-N361 PolarHBondContact O-OD1 3.2Å; D345-N361 WeakPolarHBondContact OD1-CB 3.07Å; C347-N361 HydrophobicContact CB-CB 4.34Å; C347-N361 PolarHBondContact SG-N 3.04Å |
| 362 | T | 72.4 | Confident | 77 | Confident | 52 Ų | 52 | 62.6 Ų | 62.6 | 32% | 0.319 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 152.1 | 171.2 | 72.9 | 0 | 0 | 0 | 0 | 110 | V360 G364 S365 F367 | V360-T362 HydrophobicContact CG1-CG2 4.18Å; T362-G364 PolarHBondContact O-N 2.83Å; T362-S365 CarbonylContact C-O 3.52Å; T362-S365 WeakPolarHBondContact CA-O 3.27Å; T362-S365 WeakPolarHBondContact CB-O 3.36Å; T362-S365 PolarHBondContact N-O 3.05Å; T362-S365 VanDerWaalsContact N-O 3.1Å; T362-S365 CarbonylContact O-C 3.56Å; T362-S365 VanDerWaalsContact O-C 3.32Å; T362-S365 PolarHBondContact O-N 2.03Å; T362-S365 PolarHBondContact OG1-O 2.85Å; T362-F367 HydrophobicContact CG2-CD1 3.86Å; T362-F367 HydrophobicContact CG2-CE1 3.62Å |
| 363 | P | 76 | Confident | 77.2 | Confident | 93 Ų | 93 | 58.1 Ų | 58.1 | 60% | 0.604 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.9 | 105.2 | -174.7 | -30.6 | 37.5 | 0 | 0 | 0 | 114.1 | Y332 D343 | Y332-P363 HydrophobicContact CE1-CB 4Å; Y332-P363 WeakPolarHBondContact OH-CB 3.27Å; Y332-P363 PolarHBondContact OH-O 2.95Å; D343-P363 WeakPolarHBondContact OD1-CA 3.02Å |
| 364 | G | 71.3 | Confident | 77.7 | Confident | 11 Ų | 11 | 57.9 Ų | 57.9 | 11% | 0.113 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 86.7 | 9.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | D343 T362 | D343-G364 PolarHBondContact OD1-N 2.93Å; T362-G364 PolarHBondContact O-N 2.83Å |
| 365 | S | 79.6 | Confident | 78 | Confident | 39 Ų | 39 | 63.3 Ų | 63.3 | 27% | 0.273 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -175.1 | 131.8 | 172.9 | -172.9 | 0 | 0 | 0 | 0 | 112.2 | E346 T362 | E346-S365 VanDerWaalsContact OE2-C 3.29Å; E346-S365 VanDerWaalsContact OE2-CA 3.24Å; E346-S365 WeakPolarHBondContact OE2-CA 3.29Å; T362-S365 CarbonylContact C-O 3.52Å; T362-S365 WeakPolarHBondContact CA-O 3.27Å; T362-S365 WeakPolarHBondContact CB-O 3.36Å; T362-S365 PolarHBondContact N-O 3.05Å; T362-S365 VanDerWaalsContact N-O 3.1Å; T362-S365 CarbonylContact O-C 3.56Å; T362-S365 VanDerWaalsContact O-C 3.32Å; T362-S365 PolarHBondContact O-N 2.03Å; T362-S365 PolarHBondContact OG1-O 2.85Å |
| 366 | Y | 82.9 | Confident | 78 | Confident | 49 Ų | 49 | 66.8 Ų | 66.8 | 19% | 0.192 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 159.5 | 158.9 | 75.2 | -67.4 | 0 | 0 | 0 | 112.9 | E346 N353 V360 K381 | E346-Y366 HydrophobicContact CB-CD1 3.48Å; E346-Y366 VanDerWaalsContact CB-CD1 3.48Å; E346-Y366 HydrophobicContact CB-CE1 4.2Å; E346-Y366 HydrophobicContact CB-CG 3.92Å; E346-Y366 HydrophobicContact CG-CD1 4.11Å; E346-Y366 WeakPolarHBondContact OE2-CD1 3.44Å; E346-Y366 PolarHBondContact OE2-N 2.84Å; N353-Y366 HydrophobicContact CB-CD2 4.32Å; N353-Y366 HydrophobicContact CB-CE1 4.23Å; N353-Y366 HydrophobicContact CB-CE2 3.75Å; N353-Y366 WeakPolarHBondContact ND2-CE1 3.42Å; V360-Y366 WeakPolarHBondContact O-CA 3.48Å; Y366-K381 WeakPolarHBondContact OH-CE 3.39Å; Y366-K381 PolarHBondContact OH-NZ 3.42Å; Y366-K381 VanDerWaalsContact OH-NZ 3.1Å |
| 367 | F | 78.1 | Confident | 78 | Confident | 93 Ų | 93 | 62.8 Ų | 62.8 | 41% | 0.408 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 153.9 | 156.9 | 72.7 | -85.4 | 0 | 0 | 0 | 111.1 | V360 T362 Q369 | V360-F367 HydrophobicContact CB-CD1 4.21Å; V360-F367 HydrophobicContact CB-CE1 3.78Å; V360-F367 HydrophobicContact CB-CE2 4.31Å; V360-F367 HydrophobicContact CB-CZ 3.83Å; V360-F367 HydrophobicContact CG1-CD1 4.43Å; V360-F367 HydrophobicContact CG1-CE1 3.67Å; V360-F367 HydrophobicContact CG1-CZ 3.9Å; V360-F367 HydrophobicContact CG2-CE2 4.49Å; V360-F367 HydrophobicContact CG2-CZ 4.25Å; V360-F367 PolarHBondContact N-O 2.86Å; V360-F367 PolarHBondContact O-N 2.98Å; T362-F367 HydrophobicContact CG2-CD1 3.86Å; T362-F367 HydrophobicContact CG2-CE1 3.62Å; F367-Q369 HydrophobicContact CD2-CB 4.5Å; F367-Q369 HydrophobicContact CE2-CB 3.97Å |
| 368 | C | 82.4 | Confident | 77.7 | Confident | 7 Ų | 7 | 67.5 Ų | 67.5 | 5% | 0.047 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 121 | 175.8 | -51.7 | 0 | 0 | 0 | 0 | 109.9 | C355 Q358 L376 K380 | C355-C368 WeakPolarHBondContact CA-SG 3.21Å; C355-C368 HydrophobicContact CB-CB 3.71Å; C355-C368 WeakPolarHBondContact CB-SG 3.24Å; C355-C368 WeakPolarHBondContact SG-CA 3.48Å; C355-C368 WeakPolarHBondContact SG-CB 3.06Å; C355-C368 CovalentContact SG-SG 2.03Å; C355-C368 PolarHBondContact SG-SG 3.02Å; Q358-C368 CarbonylContact O-C 3.57Å; Q358-C368 WeakPolarHBondContact O-CA 3.3Å; C368-L376 HydrophobicContact CB-CD1 4.08Å; C368-K380 WeakPolarHBondContact CB-O 3.12Å; C368-K380 PolarHBondContact SG-O 3.26Å; C368-K380 VanDerWaalsContact SG-O 3.4Å |
| 369 | Q | 75.3 | Confident | 77.5 | Confident | 88 Ų | 88 | 66.7 Ų | 66.7 | 41% | 0.411 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 134.5 | 173.6 | -175.5 | 168.4 | 1.5 | 0 | 0 | 110.5 | H357 Q358 V360 F367 | H357-Q369 WeakPolarHBondContact CB-O 3.39Å; Q358-Q369 HydrophobicContact CB-CB 4.35Å; Q358-Q369 PolarHBondContact N-O 3.24Å; Q358-Q369 PolarHBondContact O-N 3.38Å; V360-Q369 HydrophobicContact CG2-CB 3.85Å; F367-Q369 HydrophobicContact CD2-CB 4.5Å; F367-Q369 HydrophobicContact CE2-CB 3.97Å |
| 370 | C | 82.1 | Confident | 76.8 | Confident | 18 Ų | 18 | 73 Ų | 73 | 12% | 0.122 | 38% | 0.378 | C | S | . | . | P | Polyproline II helix | trans | -87.1 | 145.1 | 169.7 | -60.6 | 0 | 0 | 0 | 0 | 110.2 | F374 C383 | C370-F374 HydrophobicContact CB-CB 3.87Å; C370-F374 VanDerWaalsContact CB-O 3.32Å; C370-F374 WeakPolarHBondContact CB-O 3.04Å; C370-C383 WeakPolarHBondContact CA-SG 3.02Å; C370-C383 HydrophobicContact CB-CB 3.93Å; C370-C383 WeakPolarHBondContact CB-SG 3.37Å; C370-C383 VanDerWaalsContact SG-CA 3.6Å; C370-C383 WeakPolarHBondContact SG-CB 3.28Å; C370-C383 CovalentContact SG-SG 2.04Å; C370-C383 PolarHBondContact SG-SG 2.87Å |
| 371 | R | 78.9 | Confident | 76.8 | Confident | 163 Ų | 163 | 75 Ų | 75 | 62% | 0.615 | 38% | 0.384 | S | S | * | . | P | Polyproline II helix | trans | -63.2 | 159.2 | 166.7 | -64.3 | 172.2 | 178.2 | 166 | -2.7 | 109.6 | F374 | R371-F374 HydrophobicContact CB-CD2 4.26Å; R371-F374 WeakPolarHBondContact O-CB 3.29Å; R371-F374 PolarHBondContact O-N 3.32Å; R371-F374 VanDerWaalsContact O-N 3.15Å |
| 372 | D | 70.3 | Confident | 76.7 | Confident | 155 Ų | 155 | 79.9 Ų | 79.9 | 83% | 0.829 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | 148.5 | 173.9 | -61.2 | -63.4 | 0 | 0 | 0 | 111.5 | F374 | D372-F374 VanDerWaalsContact C-N 3.26Å; D372-F374 WeakPolarHBondContact O-CD2 3Å; D372-F374 PolarHBondContact O-N 3.27Å |
| 373 | G | 68.6 | Low | 77.1 | Confident | 15 Ų | 15 | 77.9 Ų | 77.9 | 16% | 0.155 | 39% | 0.387 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 76.7 | 1.6 | -169 | 0 | 0 | 0 | 0 | 0 | 115.3 | N385 V386 E388 | G373-N385 PolarHBondContact O-OD1 2.03Å; G373-V386 WeakPolarHBondContact O-CB 3.26Å; G373-V386 PolarHBondContact O-N 2.84Å; G373-E388 WeakPolarHBondContact CA-OE1 3.47Å |
| 374 | F | 78.4 | Confident | 77.2 | Confident | 43 Ų | 43 | 76.8 Ų | 76.8 | 19% | 0.189 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 140.3 | 176.4 | -58.9 | -97.5 | 0 | 0 | 0 | 112.7 | H357 C370 R371 D372 C383 I384 V404 G405 | H357-F374 AromaticContact CE1-CD1 3.76Å; H357-F374 AromaticContact CE1-CD2 3.94Å; H357-F374 AromaticContact CE1-CE1 3.92Å; H357-F374 AromaticContact CE1-CG 3.77Å; C370-F374 HydrophobicContact CB-CB 3.87Å; C370-F374 VanDerWaalsContact CB-O 3.32Å; C370-F374 WeakPolarHBondContact CB-O 3.04Å; R371-F374 HydrophobicContact CB-CD2 4.26Å; R371-F374 WeakPolarHBondContact O-CB 3.29Å; R371-F374 PolarHBondContact O-N 3.32Å; R371-F374 VanDerWaalsContact O-N 3.15Å; D372-F374 VanDerWaalsContact C-N 3.26Å; D372-F374 WeakPolarHBondContact O-CD2 3Å; D372-F374 PolarHBondContact O-N 3.27Å; F374-C383 HydrophobicContact CB-CB 4.1Å; F374-I384 CarbonylContact C-O 3.56Å; F374-I384 VanDerWaalsContact CA-O 3.32Å; F374-I384 WeakPolarHBondContact CA-O 3.43Å; F374-V404 HydrophobicContact CE1-CG1 3.79Å; F374-V404 HydrophobicContact CZ-CG1 3.65Å; F374-G405 VanDerWaalsContact CE2-CA 3.48Å |
| 375 | R | 78.7 | Confident | 77.5 | Confident | 158 Ų | 158 | 78.3 Ų | 78.3 | 60% | 0.596 | 38% | 0.381 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 149.3 | 172.2 | 61.7 | -178.5 | 173.5 | 156.2 | -0.6 | 111.2 | C383 I384 V386 | R375-C383 WeakPolarHBondContact O-CA 3.22Å; R375-I384 HydrophobicContact CG-CD1 4.09Å; R375-I384 HydrophobicContact CG-CG1 3.6Å; R375-I384 PolarHBondContact N-O 2.04Å; R375-I384 PolarHBondContact O-N 3.37Å; R375-V386 HydrophobicContact CB-CG2 4.06Å; R375-V386 HydrophobicContact CG-CG2 4.18Å |
| 376 | L | 80.3 | Confident | 77.4 | Confident | 75 Ų | 75 | 78.7 Ų | 78.7 | 39% | 0.393 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 137.5 | 178.1 | -162.7 | 69.8 | 0 | 0 | 0 | 110.2 | C368 K380 | C368-L376 HydrophobicContact CB-CD1 4.08Å; L376-K380 HydrophobicContact CD2-CB 4.24Å |
| 377 | A | 76.5 | Confident | 77.1 | Confident | 20 Ų | 20 | 79.5 Ų | 79.5 | 17% | 0.165 | 39% | 0.389 | C | S | . | . | trans | -82 | 170.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | D379 K380 R382 I384 | A377-D379 PolarHBondContact O-N 2.77Å; A377-K380 PolarHBondContact O-N 3.33Å; A377-R382 HydrophobicContact CB-CB 4.05Å; A377-R382 WeakPolarHBondContact CB-O 3.36Å; A377-R382 PolarHBondContact N-O 2.04Å; A377-I384 HydrophobicContact CB-CG2 4.4Å | ||
| 378 | S | 76.7 | Confident | 77.1 | Confident | 129 Ų | 129 | 77.2 Ų | 77.2 | 90% | 0.902 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -23.1 | -177.8 | -38.4 | 0 | 0 | 0 | 0 | 114.6 | K380 | S378-K380 VanDerWaalsContact C-N 3.26Å; S378-K380 PolarHBondContact O-N 2.86Å |
| 379 | D | 75.9 | Confident | 77.1 | Confident | 89 Ų | 89 | 78 Ų | 78 | 48% | 0.476 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78 | -5.8 | 176.7 | 63.6 | 17 | 0 | 0 | 0 | 114.1 | A377 K381 R382 | A377-D379 PolarHBondContact O-N 2.77Å; D379-K381 PolarHBondContact O-N 2.85Å; D379-K381 VanDerWaalsContact O-N 3.16Å; D379-K381 PolarHBondContact OD1-N 3.16Å; D379-R382 WeakPolarHBondContact OD1-CB 3.17Å; D379-R382 PolarHBondContact OD1-N 2.86Å; D379-R382 VanDerWaalsContact OD2-CB 3.22Å; D379-R382 WeakPolarHBondContact OD2-CB 3.34Å |
| 380 | K | 69.3 | Low | 77.3 | Confident | 153 Ų | 153 | 78.6 Ų | 78.6 | 67% | 0.665 | 40% | 0.399 | S | S | * | . | S | Bend | trans | 58.5 | 14.9 | -174.2 | -54.8 | -179.1 | -178.1 | 177.5 | 0 | 115.1 | C368 L376 A377 S378 | C368-K380 WeakPolarHBondContact CB-O 3.12Å; C368-K380 PolarHBondContact SG-O 3.26Å; C368-K380 VanDerWaalsContact SG-O 3.4Å; L376-K380 HydrophobicContact CD2-CB 4.24Å; A377-K380 PolarHBondContact O-N 3.33Å; S378-K380 VanDerWaalsContact C-N 3.26Å; S378-K380 PolarHBondContact O-N 2.86Å |
| 381 | K | 77.4 | Confident | 76.7 | Confident | 75 Ų | 75 | 84.2 Ų | 84.2 | 33% | 0.326 | 43% | 0.428 | S | S | . | . | S | Bend | trans | -126.6 | -34.1 | -176.8 | -67.8 | -163.9 | 176.9 | -163.9 | 0 | 113.9 | N353 H356 Y366 D379 | N353-K381 PolarHBondContact O-NZ 3.3Å; H356-K381 VanDerWaalsContact CB-O 3.24Å; H356-K381 WeakPolarHBondContact CB-O 3.32Å; H356-K381 PolarHBondContact N-O 3.01Å; Y366-K381 WeakPolarHBondContact OH-CE 3.39Å; Y366-K381 PolarHBondContact OH-NZ 3.42Å; Y366-K381 VanDerWaalsContact OH-NZ 3.1Å; D379-K381 PolarHBondContact O-N 2.85Å; D379-K381 VanDerWaalsContact O-N 3.16Å; D379-K381 PolarHBondContact OD1-N 3.16Å |
| 382 | R | 79.8 | Confident | 76.4 | Confident | 152 Ų | 152 | 79.6 Ų | 79.6 | 57% | 0.574 | 43% | 0.43 | S | S | * | . | trans | -93.1 | 145.1 | -178.3 | -168.6 | 176.1 | -163.5 | 160 | 3 | 111.1 | A377 D379 | A377-R382 HydrophobicContact CB-CB 4.05Å; A377-R382 WeakPolarHBondContact CB-O 3.36Å; A377-R382 PolarHBondContact N-O 2.04Å; D379-R382 WeakPolarHBondContact OD1-CB 3.17Å; D379-R382 PolarHBondContact OD1-N 2.86Å; D379-R382 VanDerWaalsContact OD2-CB 3.22Å; D379-R382 WeakPolarHBondContact OD2-CB 3.34Å | ||
| 383 | C | 81.4 | Confident | 77 | Confident | 10 Ų | 10 | 75 Ų | 75 | 7% | 0.068 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 136.8 | 172 | -63.5 | 0 | 0 | 0 | 0 | 109.6 | H357 C370 F374 R375 | H357-C383 WeakPolarHBondContact ND1-CB 3.03Å; H357-C383 PolarHBondContact ND1-SG 3.44Å; H357-C383 VanDerWaalsContact ND1-SG 3.39Å; C370-C383 WeakPolarHBondContact CA-SG 3.02Å; C370-C383 HydrophobicContact CB-CB 3.93Å; C370-C383 WeakPolarHBondContact CB-SG 3.37Å; C370-C383 VanDerWaalsContact SG-CA 3.6Å; C370-C383 WeakPolarHBondContact SG-CB 3.28Å; C370-C383 CovalentContact SG-SG 2.04Å; C370-C383 PolarHBondContact SG-SG 2.87Å; F374-C383 HydrophobicContact CB-CB 4.1Å; R375-C383 WeakPolarHBondContact O-CA 3.22Å |
| 384 | I | 78 | Confident | 77.3 | Confident | 70 Ų | 70 | 74.9 Ų | 74.9 | 36% | 0.359 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 148.7 | 173.6 | 59.8 | 176.3 | 0 | 0 | 0 | 108.8 | F374 R375 A377 | F374-I384 CarbonylContact C-O 3.56Å; F374-I384 VanDerWaalsContact CA-O 3.32Å; F374-I384 WeakPolarHBondContact CA-O 3.43Å; R375-I384 HydrophobicContact CG-CD1 4.09Å; R375-I384 HydrophobicContact CG-CG1 3.6Å; R375-I384 PolarHBondContact N-O 2.04Å; R375-I384 PolarHBondContact O-N 3.37Å; A377-I384 HydrophobicContact CB-CG2 4.4Å |
| 385 | N | 77.9 | Confident | 77.3 | Confident | 44 Ų | 44 | 74.7 Ų | 74.7 | 24% | 0.235 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.8 | 144.5 | 178.7 | -145 | 46.1 | 0 | 0 | 0 | 109.9 | G373 N402 T403 V404 G405 | G373-N385 PolarHBondContact O-OD1 2.03Å; N385-N402 PolarHBondContact ND2-OD1 2.87Å; N385-T403 PolarHBondContact ND2-O 3.47Å; N385-V404 WeakPolarHBondContact OD1-CA 3.05Å; N385-G405 PolarHBondContact OD1-N 3.43Å |
| 386 | V | 75.6 | Confident | 77.6 | Confident | 47 Ų | 47 | 67.7 Ų | 67.7 | 29% | 0.285 | 39% | 0.39 | S | S | . | . | trans | -75.6 | 166.2 | 157.1 | 177.8 | 0 | 0 | 0 | 0 | 107.4 | G373 R375 E388 N402 | G373-V386 WeakPolarHBondContact O-CB 3.26Å; G373-V386 PolarHBondContact O-N 2.84Å; R375-V386 HydrophobicContact CB-CG2 4.06Å; R375-V386 HydrophobicContact CG-CG2 4.18Å; V386-E388 WeakPolarHBondContact CB-OE1 3.35Å; V386-E388 HydrophobicContact CG1-CG 4.36Å; V386-E388 WeakPolarHBondContact CG1-OE1 3.44Å; V386-N402 PolarHBondContact O-ND2 2.04Å | ||
| 387 | D | 76.5 | Confident | 77.7 | Confident | 66 Ų | 66 | 68.7 Ų | 68.7 | 35% | 0.353 | 40% | 0.396 | S | S | . | . | trans | -125.5 | 90.6 | 168.3 | -166.7 | -60.5 | 0 | 0 | 0 | 107 | C389 S390 N402 | D387-C389 PolarHBondContact O-N 3.12Å; D387-C389 PolarHBondContact OD1-N 3.38Å; D387-S390 PolarHBondContact O-N 2.88Å; D387-S390 VanDerWaalsContact OD1-CB 3.28Å; D387-S390 WeakPolarHBondContact OD1-CB 3.05Å; D387-S390 PolarHBondContact OD1-N 2.86Å; D387-S390 PolarHBondContact OD1-OG 3Å; D387-N402 WeakPolarHBondContact CA-ND2 3.27Å; D387-N402 WeakPolarHBondContact CB-ND2 3.32Å; D387-N402 PolarHBondContact OD2-ND2 3.13Å | ||
| 388 | E | 78.5 | Confident | 78.3 | Confident | 44 Ų | 44 | 69.7 Ų | 69.7 | 21% | 0.206 | 40% | 0.397 | C | S | . | . | S | Bend | trans | -65 | -32.6 | -178.8 | -69.9 | 75.1 | -166.8 | 0 | 0 | 111.2 | G373 V386 S390 N391 G394 | G373-E388 WeakPolarHBondContact CA-OE1 3.47Å; V386-E388 WeakPolarHBondContact CB-OE1 3.35Å; V386-E388 HydrophobicContact CG1-CG 4.36Å; V386-E388 WeakPolarHBondContact CG1-OE1 3.44Å; E388-S390 VanDerWaalsContact C-N 3.32Å; E388-S390 PolarHBondContact O-N 3.44Å; E388-N391 CarbonylContact O-C 3.45Å; E388-N391 PolarHBondContact O-N 3.45Å; E388-G394 VanDerWaalsContact O-CA 3.29Å; E388-G394 WeakPolarHBondContact O-CA 3.46Å; E388-G394 PolarHBondContact O-N 3.45Å |
| 389 | C | 82.5 | Confident | 78.7 | Confident | 23 Ų | 23 | 68.6 Ų | 68.6 | 16% | 0.155 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -36.3 | 178.3 | -59.7 | 0 | 0 | 0 | 0 | 112.4 | D387 N391 N393 C400 N402 | D387-C389 PolarHBondContact O-N 3.12Å; D387-C389 PolarHBondContact OD1-N 3.38Å; C389-N391 PolarHBondContact O-N 3.31Å; C389-N391 VanDerWaalsContact O-N 3.12Å; C389-N393 VanDerWaalsContact O-CA 3.28Å; C389-N393 WeakPolarHBondContact O-CA 3.22Å; C389-N393 PolarHBondContact O-N 2.94Å; C389-N393 VanDerWaalsContact O-N 3.16Å; C389-C400 WeakPolarHBondContact CA-SG 3.29Å; C389-C400 HydrophobicContact CB-CB 3.7Å; C389-C400 WeakPolarHBondContact CB-SG 3.47Å; C389-C400 WeakPolarHBondContact SG-CB 3.03Å; C389-C400 PolarHBondContact SG-O 3.27Å; C389-C400 CovalentContact SG-SG 2.04Å; C389-C400 PolarHBondContact SG-SG 3.49Å; C389-N402 PolarHBondContact SG-N 3.38Å |
| 390 | S | 80.2 | Confident | 79.1 | Confident | 101 Ų | 101 | 65.3 Ų | 65.3 | 71% | 0.706 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -11.6 | 172.6 | -62.4 | 0 | 0 | 0 | 0 | 114.1 | D387 E388 | D387-S390 PolarHBondContact O-N 2.88Å; D387-S390 VanDerWaalsContact OD1-CB 3.28Å; D387-S390 WeakPolarHBondContact OD1-CB 3.05Å; D387-S390 PolarHBondContact OD1-N 2.86Å; D387-S390 PolarHBondContact OD1-OG 3Å; E388-S390 VanDerWaalsContact C-N 3.32Å; E388-S390 PolarHBondContact O-N 3.44Å |
| 391 | N | 70.1 | Confident | 79.6 | Confident | 137 Ų | 137 | 61.7 Ų | 61.7 | 73% | 0.733 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.5 | 86.6 | 179.4 | -174.1 | 41.8 | 0 | 0 | 0 | 111.2 | E388 C389 | E388-N391 CarbonylContact O-C 3.45Å; E388-N391 PolarHBondContact O-N 3.45Å; C389-N391 PolarHBondContact O-N 3.31Å; C389-N391 VanDerWaalsContact O-N 3.12Å |
| 392 | G | 71.4 | Confident | 79.7 | Confident | 65 Ų | 65 | 60.9 Ų | 60.9 | 67% | 0.67 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.1 | 37.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | G394 G395 | G392-G394 PolarHBondContact O-N 3.03Å; G392-G395 PolarHBondContact O-N 3.06Å |
| 393 | N | 83.1 | Confident | 79.3 | Confident | 60 Ų | 60 | 56.6 Ų | 56.6 | 32% | 0.321 | 34% | 0.337 | S | S | . | . | G | 310 helix | trans | 56.6 | 30.6 | 179.8 | -159.5 | 43.3 | 0 | 0 | 0 | 113.3 | C389 G395 C396 H398 C400 | C389-N393 VanDerWaalsContact O-CA 3.28Å; C389-N393 WeakPolarHBondContact O-CA 3.22Å; C389-N393 PolarHBondContact O-N 2.94Å; C389-N393 VanDerWaalsContact O-N 3.16Å; N393-G395 PolarHBondContact O-N 2.72Å; N393-C396 PolarHBondContact ND2-O 3.46Å; N393-C396 WeakPolarHBondContact O-CB 3.05Å; N393-C396 PolarHBondContact O-N 2.99Å; N393-C396 PolarHBondContact O-SG 2.96Å; N393-H398 PolarHBondContact ND2-O 2.04Å; N393-C400 WeakPolarHBondContact O-CB 3.45Å; N393-C400 PolarHBondContact O-SG 3.3Å; N393-C400 VanDerWaalsContact OD1-CB 3.26Å; N393-C400 WeakPolarHBondContact OD1-CB 3.44Å |
| 394 | G | 75 | Confident | 79 | Confident | 12 Ų | 12 | 62 Ų | 62 | 12% | 0.124 | 37% | 0.369 | C | S | . | . | G | 310 helix | trans | 63.9 | -0.8 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | E388 G392 R422 | E388-G394 VanDerWaalsContact O-CA 3.29Å; E388-G394 WeakPolarHBondContact O-CA 3.46Å; E388-G394 PolarHBondContact O-N 3.45Å; G392-G394 PolarHBondContact O-N 3.03Å; G394-R422 PolarHBondContact O-NH1 3.13Å; G394-R422 PolarHBondContact O-NH2 3.12Å |
| 395 | G | 78.6 | Confident | 78.5 | Confident | 39 Ų | 39 | 59.8 Ų | 59.8 | 40% | 0.402 | 36% | 0.364 | S | S | . | . | G | 310 helix | trans | 70.4 | 35.9 | -162.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | G392 N393 R422 | G392-G395 PolarHBondContact O-N 3.06Å; N393-G395 PolarHBondContact O-N 2.72Å; G395-R422 WeakPolarHBondContact O-CB 3.14Å; G395-R422 WeakPolarHBondContact O-CG 3.47Å; G395-R422 PolarHBondContact O-NH1 3.36Å; G395-R422 VanDerWaalsContact O-NH1 3.13Å |
| 396 | C | 84.8 | Confident | 78.4 | Confident | 11 Ų | 11 | 60.5 Ų | 60.5 | 7% | 0.074 | 37% | 0.373 | C | S | . | . | trans | -91.3 | 144.3 | 164.8 | -53.1 | 0 | 0 | 0 | 0 | 110.6 | N393 C400 C409 | N393-C396 PolarHBondContact ND2-O 3.46Å; N393-C396 WeakPolarHBondContact O-CB 3.05Å; N393-C396 PolarHBondContact O-N 2.99Å; N393-C396 PolarHBondContact O-SG 2.96Å; C396-C400 HydrophobicContact CB-CB 4.21Å; C396-C409 VanDerWaalsContact CA-SG 3.57Å; C396-C409 HydrophobicContact CB-CB 3.61Å; C396-C409 WeakPolarHBondContact CB-SG 3.43Å; C396-C409 WeakPolarHBondContact SG-CA 3.36Å; C396-C409 WeakPolarHBondContact SG-CB 3.06Å; C396-C409 CovalentContact SG-SG 2.03Å; C396-C409 PolarHBondContact SG-SG 3.03Å | ||
| 397 | D | 83.4 | Confident | 78.5 | Confident | 95 Ų | 95 | 59.3 Ų | 59.3 | 51% | 0.508 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -67.1 | -43 | 174.6 | -97.2 | -16.8 | 0 | 0 | 0 | 113 | R422 T423 C424 | D397-R422 PolarHBondContact N-O 2.84Å; D397-T423 VanDerWaalsContact OD2-CA 3.32Å; D397-T423 WeakPolarHBondContact OD2-CA 3.29Å; D397-T423 WeakPolarHBondContact OD2-CG2 3.46Å; D397-C424 HydrophobicContact CB-CB 4.32Å; D397-C424 PolarHBondContact OD2-N 3.1Å |
| 398 | H | 88.2 | Confident | 78.7 | Confident | 42 Ų | 42 | 60.8 Ų | 60.8 | 19% | 0.194 | 37% | 0.371 | C | S | . | . | S | Bend | trans | -112.5 | -105.9 | -172.7 | -77.1 | 148.2 | 0 | 0 | 0 | 111.4 | N393 E410 K412 C424 | N393-H398 PolarHBondContact ND2-O 2.04Å; H398-E410 WeakPolarHBondContact CB-O 3.02Å; H398-K412 VanDerWaalsContact CD2-CE 3.44Å; H398-K412 WeakPolarHBondContact CD2-CE 3.28Å; H398-K412 PolarHBondContact CD2-NZ 2.78Å; H398-K412 VanDerWaalsContact CD2-NZ 3.26Å; H398-K412 PolarHBondContact NE2-NZ 3.35Å; H398-C424 WeakPolarHBondContact ND1-CB 3.22Å; H398-C424 PolarHBondContact ND1-SG 3.12Å; H398-C424 VanDerWaalsContact ND1-SG 3.43Å |
| 399 | F | 84.1 | Confident | 79.1 | Confident | 106 Ų | 106 | 59 Ų | 59 | 47% | 0.465 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 139 | -177.6 | -56 | -63.3 | 0 | 0 | 0 | 110.5 | C409 E410 K412 | F399-C409 CarbonylContact O-C 3.5Å; F399-C409 WeakPolarHBondContact O-CA 3.32Å; F399-E410 HydrophobicContact CB-CB 4.17Å; F399-E410 WeakPolarHBondContact CB-O 3.48Å; F399-E410 PolarHBondContact N-O 3.48Å; F399-E410 PolarHBondContact O-N 3.17Å; F399-K412 HydrophobicContact CE2-CB 4.43Å; F399-K412 HydrophobicContact CE2-CG 3.68Å; F399-K412 HydrophobicContact CZ-CG 3.92Å |
| 400 | C | 85.9 | Confident | 79 | Confident | 20 Ų | 20 | 62.2 Ų | 62.2 | 14% | 0.135 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 124.7 | 169.2 | -173.9 | 0 | 0 | 0 | 0 | 109.1 | C389 N393 C396 | C389-C400 WeakPolarHBondContact CA-SG 3.29Å; C389-C400 HydrophobicContact CB-CB 3.7Å; C389-C400 WeakPolarHBondContact CB-SG 3.47Å; C389-C400 WeakPolarHBondContact SG-CB 3.03Å; C389-C400 PolarHBondContact SG-O 3.27Å; C389-C400 CovalentContact SG-SG 2.04Å; C389-C400 PolarHBondContact SG-SG 3.49Å; N393-C400 WeakPolarHBondContact O-CB 3.45Å; N393-C400 PolarHBondContact O-SG 3.3Å; N393-C400 VanDerWaalsContact OD1-CB 3.26Å; N393-C400 WeakPolarHBondContact OD1-CB 3.44Å; C396-C400 HydrophobicContact CB-CB 4.21Å |
| 401 | L | 78.8 | Confident | 79.4 | Confident | 77 Ų | 77 | 58.7 Ų | 58.7 | 40% | 0.403 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 119 | 173.5 | -62.5 | 179.9 | 0 | 0 | 0 | 109.1 | T403 S407 H408 E410 | L401-T403 PolarHBondContact O-N 3.1Å; L401-S407 CarbonylContact O-C 3.54Å; L401-S407 WeakPolarHBondContact O-CA 3.01Å; L401-H408 PolarHBondContact N-O 2.82Å; L401-H408 PolarHBondContact O-N 3.42Å; L401-E410 VanDerWaalsContact CD1-CD 3.46Å; L401-E410 HydrophobicContact CD1-CG 4.11Å; L401-E410 WeakPolarHBondContact CD1-OE1 3.36Å |
| 402 | N | 79.6 | Confident | 79.9 | Confident | 58 Ų | 58 | 56.8 Ų | 56.8 | 31% | 0.31 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 121.7 | 172.4 | -177 | 6.8 | 0 | 0 | 0 | 109.2 | N385 V386 D387 C389 | N385-N402 PolarHBondContact ND2-OD1 2.87Å; V386-N402 PolarHBondContact O-ND2 2.04Å; D387-N402 WeakPolarHBondContact CA-ND2 3.27Å; D387-N402 WeakPolarHBondContact CB-ND2 3.32Å; D387-N402 PolarHBondContact OD2-ND2 3.13Å; C389-N402 PolarHBondContact SG-N 3.38Å |
| 403 | T | 71.9 | Confident | 80.3 | Confident | 61 Ų | 61 | 60 Ų | 60 | 37% | 0.374 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 163.4 | 173.8 | 78.9 | 0 | 0 | 0 | 0 | 110.1 | N385 L401 G405 S406 H408 | N385-T403 PolarHBondContact ND2-O 3.47Å; L401-T403 PolarHBondContact O-N 3.1Å; T403-G405 PolarHBondContact O-N 2.91Å; T403-S406 CarbonylContact C-O 3.57Å; T403-S406 VanDerWaalsContact CA-O 3.27Å; T403-S406 WeakPolarHBondContact CA-O 3.01Å; T403-S406 WeakPolarHBondContact CB-O 3.18Å; T403-S406 PolarHBondContact N-O 2.81Å; T403-S406 PolarHBondContact O-N 2.03Å; T403-S406 PolarHBondContact OG1-O 2.84Å; T403-H408 HydrophobicContact CG2-CB 4.31Å |
| 404 | V | 75.3 | Confident | 80 | Confident | 123 Ų | 123 | 57.9 Ų | 57.9 | 75% | 0.745 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.5 | 89.9 | -172.2 | 178.2 | 0 | 0 | 0 | 0 | 110.5 | F374 N385 | F374-V404 HydrophobicContact CE1-CG1 3.79Å; F374-V404 HydrophobicContact CZ-CG1 3.65Å; N385-V404 WeakPolarHBondContact OD1-CA 3.05Å |
| 405 | G | 67.5 | Low | 80.5 | Confident | 24 Ų | 24 | 59.5 Ų | 59.5 | 25% | 0.247 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 110 | 3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | F374 N385 T403 | F374-G405 VanDerWaalsContact CE2-CA 3.48Å; N385-G405 PolarHBondContact OD1-N 3.43Å; T403-G405 PolarHBondContact O-N 2.91Å |
| 406 | S | 74.9 | Confident | 80.6 | Confident | 60 Ų | 60 | 62 Ų | 62 | 42% | 0.42 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -169.9 | 157.4 | 177.5 | -172.2 | 0 | 0 | 0 | 0 | 111.9 | T403 | T403-S406 CarbonylContact C-O 3.57Å; T403-S406 VanDerWaalsContact CA-O 3.27Å; T403-S406 WeakPolarHBondContact CA-O 3.01Å; T403-S406 WeakPolarHBondContact CB-O 3.18Å; T403-S406 PolarHBondContact N-O 2.81Å; T403-S406 PolarHBondContact O-N 2.03Å; T403-S406 PolarHBondContact OG1-O 2.84Å |
| 407 | S | 77.3 | Confident | 80.6 | Confident | 21 Ų | 21 | 64.3 Ų | 64.3 | 15% | 0.147 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 153 | 155.3 | 53.4 | 0 | 0 | 0 | 0 | 111.8 | L401 | L401-S407 CarbonylContact O-C 3.54Å; L401-S407 WeakPolarHBondContact O-CA 3.01Å |
| 408 | H | 80.7 | Confident | 80.5 | Confident | 97 Ų | 97 | 60.8 Ų | 60.8 | 45% | 0.449 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 143.9 | 159.3 | -172.3 | 57.7 | 0 | 0 | 0 | 109.3 | L401 T403 | L401-H408 PolarHBondContact N-O 2.82Å; L401-H408 PolarHBondContact O-N 3.42Å; T403-H408 HydrophobicContact CG2-CB 4.31Å |
| 409 | C | 86.9 | Confident | 80.2 | Confident | 6 Ų | 6 | 64.4 Ų | 64.4 | 4% | 0.041 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 132.9 | 177.9 | -57.6 | 0 | 0 | 0 | 0 | 110 | C396 F399 L417 G421 | C396-C409 VanDerWaalsContact CA-SG 3.57Å; C396-C409 HydrophobicContact CB-CB 3.61Å; C396-C409 WeakPolarHBondContact CB-SG 3.43Å; C396-C409 WeakPolarHBondContact SG-CA 3.36Å; C396-C409 WeakPolarHBondContact SG-CB 3.06Å; C396-C409 CovalentContact SG-SG 2.03Å; C396-C409 PolarHBondContact SG-SG 3.03Å; F399-C409 CarbonylContact O-C 3.5Å; F399-C409 WeakPolarHBondContact O-CA 3.32Å; C409-L417 HydrophobicContact CB-CD1 3.96Å; C409-L417 WeakPolarHBondContact O-CD2 3.34Å; C409-G421 WeakPolarHBondContact CB-O 3.28Å; C409-G421 PolarHBondContact SG-O 3.48Å; C409-G421 VanDerWaalsContact SG-O 3.34Å |
| 410 | E | 82.2 | Confident | 79.8 | Confident | 92 Ų | 92 | 63.4 Ų | 63.4 | 43% | 0.43 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 143.8 | 173.8 | -71.3 | -175.1 | 172.5 | 0 | 0 | 110.7 | H398 F399 L401 | H398-E410 WeakPolarHBondContact CB-O 3.02Å; F399-E410 HydrophobicContact CB-CB 4.17Å; F399-E410 WeakPolarHBondContact CB-O 3.48Å; F399-E410 PolarHBondContact N-O 3.48Å; F399-E410 PolarHBondContact O-N 3.17Å; L401-E410 VanDerWaalsContact CD1-CD 3.46Å; L401-E410 HydrophobicContact CD1-CG 4.11Å; L401-E410 WeakPolarHBondContact CD1-OE1 3.36Å |
| 411 | C | 87.7 | Confident | 79.4 | Confident | 27 Ų | 27 | 64 Ų | 64 | 18% | 0.182 | 38% | 0.378 | C | S | . | . | P | Polyproline II helix | trans | -93.4 | 157 | 176.7 | -60.9 | 0 | 0 | 0 | 0 | 111.3 | F415 F416 L417 C424 | C411-F415 HydrophobicContact CB-CB 3.84Å; C411-F415 WeakPolarHBondContact CB-O 3.01Å; C411-F416 VanDerWaalsContact SG-C 3.6Å; C411-L417 VanDerWaalsContact SG-CA 3.56Å; C411-C424 WeakPolarHBondContact CA-SG 3.35Å; C411-C424 HydrophobicContact CB-CB 3.94Å; C411-C424 WeakPolarHBondContact CB-SG 3.35Å; C411-C424 WeakPolarHBondContact SG-CB 3.46Å; C411-C424 CovalentContact SG-SG 2.04Å; C411-C424 PolarHBondContact SG-SG 2.72Å |
| 412 | K | 80.8 | Confident | 79.6 | Confident | 97 Ų | 97 | 65.6 Ų | 65.6 | 42% | 0.422 | 38% | 0.379 | S | S | . | . | P | Polyproline II helix | trans | -63.9 | 156 | 167.8 | -65.2 | 169.4 | -172.3 | 151.3 | 0 | 110 | H398 F399 G414 F415 | H398-K412 VanDerWaalsContact CD2-CE 3.44Å; H398-K412 WeakPolarHBondContact CD2-CE 3.28Å; H398-K412 PolarHBondContact CD2-NZ 2.78Å; H398-K412 VanDerWaalsContact CD2-NZ 3.26Å; H398-K412 PolarHBondContact NE2-NZ 3.35Å; F399-K412 HydrophobicContact CE2-CB 4.43Å; F399-K412 HydrophobicContact CE2-CG 3.68Å; F399-K412 HydrophobicContact CZ-CG 3.92Å; K412-G414 PolarHBondContact O-N 3.25Å; K412-F415 HydrophobicContact CB-CD2 4.09Å; K412-F415 WeakPolarHBondContact O-CB 3.35Å; K412-F415 PolarHBondContact O-N 3.03Å |
| 413 | T | 79.8 | Confident | 79.8 | Confident | 133 Ų | 133 | 65.5 Ų | 65.5 | 82% | 0.816 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.2 | 138.5 | 168.9 | 47.5 | 0 | 0 | 0 | 0 | 110.7 | F415 | T413-F415 VanDerWaalsContact C-N 3.34Š|
| 414 | G | 75.8 | Confident | 80.5 | Confident | 14 Ų | 14 | 63.3 Ų | 63.3 | 14% | 0.144 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 85.8 | -4.1 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | K412 I427 | K412-G414 PolarHBondContact O-N 3.25Å; G414-I427 WeakPolarHBondContact O-CB 3.48Å; G414-I427 PolarHBondContact O-N 3.41Å |
| 415 | F | 86.9 | Confident | 80.8 | Confident | 47 Ų | 47 | 62.5 Ų | 62.5 | 21% | 0.206 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 145.5 | 176.5 | -63.3 | -95.9 | 0 | 0 | 0 | 111.6 | C411 K412 T413 C424 E425 D426 P445 | C411-F415 HydrophobicContact CB-CB 3.84Å; C411-F415 WeakPolarHBondContact CB-O 3.01Å; K412-F415 HydrophobicContact CB-CD2 4.09Å; K412-F415 WeakPolarHBondContact O-CB 3.35Å; K412-F415 PolarHBondContact O-N 3.03Å; T413-F415 VanDerWaalsContact C-N 3.34Å; F415-C424 HydrophobicContact CB-CB 4.28Å; F415-E425 CarbonylContact C-O 3.55Å; F415-E425 VanDerWaalsContact CA-O 3.23Å; F415-E425 WeakPolarHBondContact CA-O 3.19Å; F415-E425 WeakPolarHBondContact CB-O 3.28Å; F415-D426 HydrophobicContact CD1-CB 4.4Å; F415-D426 HydrophobicContact CE1-CB 4.3Å; F415-P445 HydrophobicContact CZ-CB 4.15Å |
| 416 | F | 80.5 | Confident | 81.6 | Confident | 92 Ų | 92 | 63.6 Ų | 63.6 | 40% | 0.404 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 147 | 174 | 73.4 | -82.4 | 0 | 0 | 0 | 111.7 | C411 T418 C424 E425 D426 I427 | C411-F416 VanDerWaalsContact SG-C 3.6Å; F416-T418 HydrophobicContact CE2-CG2 4.41Å; F416-C424 WeakPolarHBondContact O-CA 2.99Å; F416-E425 HydrophobicContact CD1-CB 4.16Å; F416-E425 VanDerWaalsContact CD1-O 3.3Å; F416-E425 WeakPolarHBondContact CD1-O 3.44Å; F416-E425 HydrophobicContact CE1-CB 3.51Å; F416-E425 HydrophobicContact CE2-CB 4.22Å; F416-E425 HydrophobicContact CZ-CB 3.54Å; F416-E425 WeakPolarHBondContact CZ-OE2 3.04Å; F416-E425 PolarHBondContact N-O 2.74Å; F416-E425 PolarHBondContact O-N 3.16Å; F416-D426 WeakPolarHBondContact CE1-O 3.44Å; F416-I427 HydrophobicContact CB-CD1 4.15Å; F416-I427 HydrophobicContact CB-CG1 3.87Å; F416-I427 HydrophobicContact CD1-CG1 3.76Å; F416-I427 HydrophobicContact CG-CG1 4.29Å |
| 417 | L | 85.4 | Confident | 81.8 | Confident | 58 Ų | 58 | 64 Ų | 64 | 30% | 0.304 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 124 | 177 | -165.3 | 73.4 | 0 | 0 | 0 | 109.3 | C409 C411 | C409-L417 HydrophobicContact CB-CD1 3.96Å; C409-L417 WeakPolarHBondContact O-CD2 3.34Å; C411-L417 VanDerWaalsContact SG-CA 3.56Å |
| 418 | T | 81.3 | Confident | 82 | Confident | 22 Ų | 22 | 66 Ų | 66 | 14% | 0.135 | 36% | 0.362 | C | S | . | . | trans | -73.6 | 173.5 | -178.6 | 72.4 | 0 | 0 | 0 | 0 | 112.2 | F416 D420 G421 T423 E425 | F416-T418 HydrophobicContact CE2-CG2 4.41Å; T418-D420 PolarHBondContact O-N 3.31Å; T418-D420 PolarHBondContact OG1-OD1 3.29Å; T418-G421 PolarHBondContact O-N 2.9Å; T418-T423 WeakPolarHBondContact CG2-O 3.43Å; T418-T423 PolarHBondContact N-O 3.5Å; T418-T423 PolarHBondContact OG1-O 2.84Å; T418-E425 HydrophobicContact CG2-CB 3.77Å; T418-E425 HydrophobicContact CG2-CG 3.45Å; T418-E425 VanDerWaalsContact CG2-CG 3.45Å | ||
| 419 | A | 80.2 | Confident | 82.1 | Confident | 118 Ų | 118 | 63.3 Ų | 63.3 | 98% | 0.975 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -2.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 420 | D | 75.8 | Confident | 82 | Confident | 85 Ų | 85 | 64.2 Ų | 64.2 | 46% | 0.455 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | -9.7 | 169.6 | 80.2 | -10.6 | 0 | 0 | 0 | 113.8 | T418 R422 T423 | T418-D420 PolarHBondContact O-N 3.31Å; T418-D420 PolarHBondContact OG1-OD1 3.29Å; D420-R422 VanDerWaalsContact C-N 3.33Å; D420-R422 WeakPolarHBondContact OD1-CA 3.23Å; D420-R422 PolarHBondContact OD1-N 3.21Å; D420-T423 PolarHBondContact OD1-N 3.3Å; D420-T423 PolarHBondContact OD2-OG1 3.26Å |
| 421 | G | 79.2 | Confident | 82 | Confident | 32 Ų | 32 | 65.8 Ų | 65.8 | 33% | 0.33 | 37% | 0.371 | S | S | . | . | S | Bend | trans | 71.7 | 19.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | C409 T418 | C409-G421 WeakPolarHBondContact CB-O 3.28Å; C409-G421 PolarHBondContact SG-O 3.48Å; C409-G421 VanDerWaalsContact SG-O 3.34Å; T418-G421 PolarHBondContact O-N 2.9Å |
| 422 | R | 81.8 | Confident | 81.4 | Confident | 111 Ų | 111 | 70.5 Ų | 70.5 | 42% | 0.419 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -142.8 | -44.7 | -170.5 | -70.6 | 167.6 | 174.3 | -92.9 | -11.2 | 114.5 | G394 G395 D397 D420 | G394-R422 PolarHBondContact O-NH1 3.13Å; G394-R422 PolarHBondContact O-NH2 3.12Å; G395-R422 WeakPolarHBondContact O-CB 3.14Å; G395-R422 WeakPolarHBondContact O-CG 3.47Å; G395-R422 PolarHBondContact O-NH1 3.36Å; G395-R422 VanDerWaalsContact O-NH1 3.13Å; D397-R422 PolarHBondContact N-O 2.84Å; D420-R422 VanDerWaalsContact C-N 3.33Å; D420-R422 WeakPolarHBondContact OD1-CA 3.23Å; D420-R422 PolarHBondContact OD1-N 3.21Å |
| 423 | T | 83.6 | Confident | 81.4 | Confident | 55 Ų | 55 | 72.4 Ų | 72.4 | 34% | 0.337 | 41% | 0.409 | S | S | . | . | trans | -85.3 | 138.7 | -176.4 | -52.2 | 0 | 0 | 0 | 0 | 109.2 | D397 T418 D420 | D397-T423 VanDerWaalsContact OD2-CA 3.32Å; D397-T423 WeakPolarHBondContact OD2-CA 3.29Å; D397-T423 WeakPolarHBondContact OD2-CG2 3.46Å; T418-T423 WeakPolarHBondContact CG2-O 3.43Å; T418-T423 PolarHBondContact N-O 3.5Å; T418-T423 PolarHBondContact OG1-O 2.84Å; D420-T423 PolarHBondContact OD1-N 3.3Å; D420-T423 PolarHBondContact OD2-OG1 3.26Å | ||
| 424 | C | 87 | Confident | 81.5 | Confident | 15 Ų | 15 | 68.9 Ų | 68.9 | 10% | 0.101 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 117.4 | -177.9 | -69.2 | 0 | 0 | 0 | 0 | 111.6 | D397 H398 C411 F415 F416 | D397-C424 HydrophobicContact CB-CB 4.32Å; D397-C424 PolarHBondContact OD2-N 3.1Å; H398-C424 WeakPolarHBondContact ND1-CB 3.22Å; H398-C424 PolarHBondContact ND1-SG 3.12Å; H398-C424 VanDerWaalsContact ND1-SG 3.43Å; C411-C424 WeakPolarHBondContact CA-SG 3.35Å; C411-C424 HydrophobicContact CB-CB 3.94Å; C411-C424 WeakPolarHBondContact CB-SG 3.35Å; C411-C424 WeakPolarHBondContact SG-CB 3.46Å; C411-C424 CovalentContact SG-SG 2.04Å; C411-C424 PolarHBondContact SG-SG 2.72Å; F415-C424 HydrophobicContact CB-CB 4.28Å; F416-C424 WeakPolarHBondContact O-CA 2.99Å |
| 425 | E | 80.9 | Confident | 81.4 | Confident | 106 Ų | 106 | 69 Ų | 69 | 50% | 0.495 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 154.1 | 175.2 | -81.3 | 173.5 | -174.3 | 0 | 0 | 111.3 | F415 F416 T418 | F415-E425 CarbonylContact C-O 3.55Å; F415-E425 VanDerWaalsContact CA-O 3.23Å; F415-E425 WeakPolarHBondContact CA-O 3.19Å; F415-E425 WeakPolarHBondContact CB-O 3.28Å; F416-E425 HydrophobicContact CD1-CB 4.16Å; F416-E425 VanDerWaalsContact CD1-O 3.3Å; F416-E425 WeakPolarHBondContact CD1-O 3.44Å; F416-E425 HydrophobicContact CE1-CB 3.51Å; F416-E425 HydrophobicContact CE2-CB 4.22Å; F416-E425 HydrophobicContact CZ-CB 3.54Å; F416-E425 WeakPolarHBondContact CZ-OE2 3.04Å; F416-E425 PolarHBondContact N-O 2.74Å; F416-E425 PolarHBondContact O-N 3.16Å; T418-E425 HydrophobicContact CG2-CB 3.77Å; T418-E425 HydrophobicContact CG2-CG 3.45Å; T418-E425 VanDerWaalsContact CG2-CG 3.45Å |
| 426 | D | 84.6 | Confident | 81.1 | Confident | 48 Ų | 48 | 68.7 Ų | 68.7 | 26% | 0.257 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 134.5 | -176.5 | -174.4 | 50.9 | 0 | 0 | 0 | 111.9 | F415 F416 D428 N443 P445 G446 | F415-D426 HydrophobicContact CD1-CB 4.4Å; F415-D426 HydrophobicContact CE1-CB 4.3Å; F416-D426 WeakPolarHBondContact CE1-O 3.44Å; D426-D428 PolarHBondContact O-N 2.86Å; D426-N443 PolarHBondContact OD2-ND2 2.94Å; D426-P445 VanDerWaalsContact OD1-CA 3.31Å; D426-P445 WeakPolarHBondContact OD1-CA 2.97Å; D426-G446 PolarHBondContact OD1-N 2.02Å |
| 427 | I | 79.7 | Confident | 81.3 | Confident | 68 Ų | 68 | 64.8 Ų | 64.8 | 35% | 0.349 | 38% | 0.379 | S | S | . | . | trans | -87.3 | 95.8 | 174.7 | -56.9 | 170.4 | 0 | 0 | 0 | 107.9 | G414 F416 E429 | G414-I427 WeakPolarHBondContact O-CB 3.48Å; G414-I427 PolarHBondContact O-N 3.41Å; F416-I427 HydrophobicContact CB-CD1 4.15Å; F416-I427 HydrophobicContact CB-CG1 3.87Å; F416-I427 HydrophobicContact CD1-CG1 3.76Å; F416-I427 HydrophobicContact CG-CG1 4.29Å; I427-E429 HydrophobicContact CG2-CG 4.22Å; I427-E429 PolarHBondContact O-N 3.29Å | ||
| 428 | D | 82.1 | Confident | 81.2 | Confident | 64 Ų | 64 | 66.2 Ų | 66.2 | 34% | 0.342 | 39% | 0.387 | S | S | . | . | trans | -66.1 | 94.3 | 173.2 | -166.3 | -53.3 | 0 | 0 | 0 | 110.7 | D426 C430 V431 N443 | D426-D428 PolarHBondContact O-N 2.86Å; D428-C430 PolarHBondContact O-N 2.9Å; D428-C430 WeakPolarHBondContact OD1-CA 3.01Å; D428-C430 VanDerWaalsContact OD1-CB 3.31Å; D428-C430 WeakPolarHBondContact OD1-CB 3.22Å; D428-C430 PolarHBondContact OD1-N 3.22Å; D428-C430 VanDerWaalsContact OD1-N 3.09Å; D428-V431 HydrophobicContact CB-CG2 4.13Å; D428-V431 PolarHBondContact O-N 3.43Å; D428-V431 PolarHBondContact OD1-N 3.38Å; D428-N443 WeakPolarHBondContact CA-ND2 3.4Å; D428-N443 WeakPolarHBondContact CB-ND2 3.41Å; D428-N443 PolarHBondContact OD2-ND2 3.36Å | ||
| 429 | E | 82.8 | Confident | 81.5 | Confident | 39 Ų | 39 | 66.8 Ų | 66.8 | 18% | 0.182 | 39% | 0.388 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -22.1 | -178.7 | -57.8 | 108 | 151.6 | 0 | 0 | 111.9 | I427 V431 N432 A435 Y448 | I427-E429 HydrophobicContact CG2-CG 4.22Å; I427-E429 PolarHBondContact O-N 3.29Å; E429-V431 VanDerWaalsContact C-N 3.32Å; E429-V431 PolarHBondContact O-N 2.8Å; E429-N432 CarbonylContact O-C 3.55Å; E429-N432 PolarHBondContact O-N 3.03Å; E429-N432 VanDerWaalsContact O-O 3.06Å; E429-A435 HydrophobicContact CB-CB 3.7Å; E429-A435 WeakPolarHBondContact O-CA 2.99Å; E429-A435 PolarHBondContact O-N 2.71Å; E429-Y448 HydrophobicContact CB-CD1 3.66Å; E429-Y448 HydrophobicContact CB-CE1 4.19Å; E429-Y448 HydrophobicContact CB-CG 4.16Å; E429-Y448 VanDerWaalsContact CD-CD1 3.45Å; E429-Y448 HydrophobicContact CG-CD1 3.84Å; E429-Y448 HydrophobicContact CG-CE1 4.24Å; E429-Y448 VanDerWaalsContact OE2-CD1 3.3Å; E429-Y448 WeakPolarHBondContact OE2-CD1 3.31Å; E429-Y448 PolarHBondContact OE2-N 3.06Å |
| 430 | C | 84 | Confident | 81.7 | Confident | 26 Ų | 26 | 66.7 Ų | 66.7 | 18% | 0.176 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -31.7 | 177.4 | -59.3 | 0 | 0 | 0 | 0 | 112.5 | D428 N432 N434 C441 S442 N443 | D428-C430 PolarHBondContact O-N 2.9Å; D428-C430 WeakPolarHBondContact OD1-CA 3.01Å; D428-C430 VanDerWaalsContact OD1-CB 3.31Å; D428-C430 WeakPolarHBondContact OD1-CB 3.22Å; D428-C430 PolarHBondContact OD1-N 3.22Å; D428-C430 VanDerWaalsContact OD1-N 3.09Å; C430-N432 PolarHBondContact O-N 2.96Å; C430-N434 VanDerWaalsContact O-CA 3.32Å; C430-N434 WeakPolarHBondContact O-CA 3.46Å; C430-N434 PolarHBondContact O-N 3.01Å; C430-C441 WeakPolarHBondContact CA-SG 3.01Å; C430-C441 HydrophobicContact CB-CB 3.61Å; C430-C441 WeakPolarHBondContact CB-SG 3.24Å; C430-C441 WeakPolarHBondContact SG-CB 3.02Å; C430-C441 CovalentContact SG-SG 2.03Å; C430-C441 PolarHBondContact SG-SG 2.97Å; C430-S442 PolarHBondContact SG-N 3.49Å; C430-S442 VanDerWaalsContact SG-N 3.39Å; C430-N443 PolarHBondContact SG-N 2.91Å |
| 431 | V | 81.6 | Confident | 82.3 | Confident | 125 Ų | 125 | 63 Ų | 63 | 76% | 0.758 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -31.3 | 169.2 | 173 | 0 | 0 | 0 | 0 | 111.7 | D428 E429 N433 | D428-V431 HydrophobicContact CB-CG2 4.13Å; D428-V431 PolarHBondContact O-N 3.43Å; D428-V431 PolarHBondContact OD1-N 3.38Å; E429-V431 VanDerWaalsContact C-N 3.32Å; E429-V431 PolarHBondContact O-N 2.8Å; V431-N433 PolarHBondContact O-N 3.03Å |
| 432 | N | 75.8 | Confident | 82.3 | Confident | 126 Ų | 126 | 63 Ų | 63 | 67% | 0.674 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.2 | 90.6 | -173 | -162.3 | 12.1 | 0 | 0 | 0 | 112 | E429 C430 N434 A435 | E429-N432 CarbonylContact O-C 3.55Å; E429-N432 PolarHBondContact O-N 3.03Å; E429-N432 VanDerWaalsContact O-O 3.06Å; C430-N432 PolarHBondContact O-N 2.96Å; N432-N434 VanDerWaalsContact C-N 3.32Å; N432-N434 PolarHBondContact O-N 2.03Å; N432-A435 PolarHBondContact O-N 3.32Å |
| 433 | N | 79.7 | Confident | 82.3 | Confident | 137 Ų | 137 | 59.7 Ų | 59.7 | 73% | 0.733 | 33% | 0.333 | S | S | * | . | G | 310 helix | trans | 59.3 | 36.6 | -178.2 | -166.6 | 65.8 | 0 | 0 | 0 | 113.6 | V431 A435 G436 | V431-N433 PolarHBondContact O-N 3.03Å; N433-A435 PolarHBondContact O-N 3Å; N433-A435 VanDerWaalsContact O-N 3.11Å; N433-G436 PolarHBondContact O-N 3.32Å |
| 434 | N | 81.9 | Confident | 82.1 | Confident | 59 Ų | 59 | 61.4 Ų | 61.4 | 32% | 0.316 | 34% | 0.337 | S | S | . | . | G | 310 helix | trans | 55.1 | 28.2 | -179.9 | -160.9 | 45.8 | 0 | 0 | 0 | 113 | C430 N432 G436 C437 H439 C441 | C430-N434 VanDerWaalsContact O-CA 3.32Å; C430-N434 WeakPolarHBondContact O-CA 3.46Å; C430-N434 PolarHBondContact O-N 3.01Å; N432-N434 VanDerWaalsContact C-N 3.32Å; N432-N434 PolarHBondContact O-N 2.03Å; N434-G436 PolarHBondContact O-N 3.41Å; N434-C437 PolarHBondContact ND2-O 2.89Å; N434-C437 VanDerWaalsContact O-CB 3.28Å; N434-C437 WeakPolarHBondContact O-CB 3.07Å; N434-C437 PolarHBondContact O-N 3.5Å; N434-C437 PolarHBondContact O-SG 2.97Å; N434-H439 PolarHBondContact ND2-O 2.97Å; N434-C441 WeakPolarHBondContact O-CB 3.36Å; N434-C441 WeakPolarHBondContact OD1-CB 3.04Å; N434-C441 PolarHBondContact OD1-N 3.08Å |
| 435 | A | 74.1 | Confident | 81.6 | Confident | 16 Ų | 16 | 65.8 Ų | 65.8 | 13% | 0.132 | 37% | 0.366 | C | S | . | . | G | 310 helix | trans | 49.6 | 17.4 | -167.8 | 0 | 0 | 0 | 0 | 0 | 116 | E429 N432 N433 C437 C441 Y448 | E429-A435 HydrophobicContact CB-CB 3.7Å; E429-A435 WeakPolarHBondContact O-CA 2.99Å; E429-A435 PolarHBondContact O-N 2.71Å; N432-A435 PolarHBondContact O-N 3.32Å; N433-A435 PolarHBondContact O-N 3Å; N433-A435 VanDerWaalsContact O-N 3.11Å; A435-C437 VanDerWaalsContact C-N 3.32Å; A435-C441 WeakPolarHBondContact CB-SG 3.4Å; A435-Y448 HydrophobicContact CB-CD1 3.9Å; A435-Y448 HydrophobicContact CB-CD2 3.25Å; A435-Y448 HydrophobicContact CB-CE1 4.04Å; A435-Y448 HydrophobicContact CB-CE2 3.42Å; A435-Y448 VanDerWaalsContact CB-CE2 3.42Å; A435-Y448 HydrophobicContact CB-CG 3.5Å |
| 436 | G | 80.8 | Confident | 81.3 | Confident | 41 Ų | 41 | 61.7 Ų | 61.7 | 42% | 0.423 | 35% | 0.352 | S | S | . | . | G | 310 helix | trans | 80.1 | 5 | -171.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | N433 N434 | N433-G436 PolarHBondContact O-N 3.32Å; N434-G436 PolarHBondContact O-N 3.41Å |
| 437 | C | 84.8 | Confident | 81.2 | Confident | 9 Ų | 9 | 62.1 Ų | 62.1 | 6% | 0.061 | 36% | 0.359 | C | S | . | . | trans | -65.4 | 134.4 | 172.9 | -59.2 | 0 | 0 | 0 | 0 | 111.4 | N434 A435 H439 C441 C450 | N434-C437 PolarHBondContact ND2-O 2.89Å; N434-C437 VanDerWaalsContact O-CB 3.28Å; N434-C437 WeakPolarHBondContact O-CB 3.07Å; N434-C437 PolarHBondContact O-N 3.5Å; N434-C437 PolarHBondContact O-SG 2.97Å; A435-C437 VanDerWaalsContact C-N 3.32Å; C437-H439 VanDerWaalsContact C-N 3.33Å; C437-C441 HydrophobicContact CB-CB 4.12Å; C437-C450 WeakPolarHBondContact CA-SG 3.11Å; C437-C450 HydrophobicContact CB-CB 3.68Å; C437-C450 WeakPolarHBondContact CB-SG 3.32Å; C437-C450 WeakPolarHBondContact SG-CA 3.04Å; C437-C450 WeakPolarHBondContact SG-CB 3.14Å; C437-C450 CovalentContact SG-SG 2.03Å; C437-C450 PolarHBondContact SG-SG 2.8Å | ||
| 438 | D | 83.8 | Confident | 81.4 | Confident | 88 Ų | 88 | 62.5 Ų | 62.5 | 47% | 0.471 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -70.3 | -29.9 | 176.6 | -179.7 | 40.3 | 0 | 0 | 0 | 112.5 | H463 C465 | D438-H463 WeakPolarHBondContact CB-O 2.85Å; D438-H463 PolarHBondContact N-O 2.96Å; D438-C465 WeakPolarHBondContact OD2-CB 3.44Å; D438-C465 PolarHBondContact OD2-N 3.14Å |
| 439 | H | 87.2 | Confident | 81.5 | Confident | 35 Ų | 35 | 64.4 Ų | 64.4 | 16% | 0.162 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -116.5 | -109.9 | 176.6 | -79.7 | 148.4 | 0 | 0 | 0 | 113.4 | N434 C437 I451 K453 C465 | N434-H439 PolarHBondContact ND2-O 2.97Å; C437-H439 VanDerWaalsContact C-N 3.33Å; H439-I451 VanDerWaalsContact CB-O 3.22Å; H439-I451 WeakPolarHBondContact CB-O 3.07Å; H439-K453 HydrophobicContact CB-CG 4.37Å; H439-K453 WeakPolarHBondContact CD2-CE 3Å; H439-K453 PolarHBondContact CD2-NZ 3.29Å; H439-K453 PolarHBondContact ND1-N 3.33Å; H439-K453 PolarHBondContact NE2-NZ 2.78Å; H439-C465 VanDerWaalsContact ND1-CB 3.25Å; H439-C465 WeakPolarHBondContact ND1-CB 3.35Å; H439-C465 PolarHBondContact ND1-SG 3.36Å |
| 440 | H | 84.8 | Confident | 81.8 | Confident | 115 Ų | 115 | 63.1 Ų | 63.1 | 53% | 0.532 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 110.3 | -170.1 | 179.9 | -63.8 | 0 | 0 | 0 | 110.4 | I451 | H440-I451 HydrophobicContact CB-CB 4.28Å; H440-I451 PolarHBondContact N-O 3.23Å; H440-I451 WeakPolarHBondContact O-CB 3.2Å; H440-I451 PolarHBondContact O-N 3.49Å |
| 441 | C | 88.5 | Confident | 81.6 | Confident | 9 Ų | 9 | 65 Ų | 65 | 6% | 0.061 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 140.8 | 170.4 | -172.8 | 0 | 0 | 0 | 0 | 110.9 | C430 N434 A435 C437 | C430-C441 WeakPolarHBondContact CA-SG 3.01Å; C430-C441 HydrophobicContact CB-CB 3.61Å; C430-C441 WeakPolarHBondContact CB-SG 3.24Å; C430-C441 WeakPolarHBondContact SG-CB 3.02Å; C430-C441 CovalentContact SG-SG 2.03Å; C430-C441 PolarHBondContact SG-SG 2.97Å; N434-C441 WeakPolarHBondContact O-CB 3.36Å; N434-C441 WeakPolarHBondContact OD1-CB 3.04Å; N434-C441 PolarHBondContact OD1-N 3.08Å; A435-C441 WeakPolarHBondContact CB-SG 3.4Å; C437-C441 HydrophobicContact CB-CB 4.12Å |
| 442 | S | 79.2 | Confident | 81.8 | Confident | 31 Ų | 31 | 60.3 Ų | 60.3 | 22% | 0.217 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 119.4 | 169.7 | -171.9 | 0 | 0 | 0 | 0 | 109.8 | C430 Y448 Y449 | C430-S442 PolarHBondContact SG-N 3.49Å; C430-S442 VanDerWaalsContact SG-N 3.39Å; S442-Y448 WeakPolarHBondContact O-CA 3.49Å; S442-Y449 PolarHBondContact N-O 3.18Å; S442-Y449 WeakPolarHBondContact O-CD1 3.39Å; S442-Y449 PolarHBondContact O-N 3.18Å |
| 443 | N | 81 | Confident | 81.9 | Confident | 41 Ų | 41 | 60.4 Ų | 60.4 | 22% | 0.219 | 33% | 0.329 | C | S | . | . | trans | -75.4 | 148.8 | 178.1 | -175.2 | 25.6 | 0 | 0 | 0 | 110.9 | D426 D428 C430 | D426-N443 PolarHBondContact OD2-ND2 2.94Å; D428-N443 WeakPolarHBondContact CA-ND2 3.4Å; D428-N443 WeakPolarHBondContact CB-ND2 3.41Å; D428-N443 PolarHBondContact OD2-ND2 3.36Å; C430-N443 PolarHBondContact SG-N 2.91Å | ||
| 444 | Q | 78.7 | Confident | 81.8 | Confident | 91 Ų | 91 | 58.9 Ų | 58.9 | 43% | 0.425 | 34% | 0.335 | S | S | . | . | trans | -143.1 | 151.5 | 167.9 | -41.9 | -173.8 | -66.5 | 0 | 0 | 108.6 | G446 S447 Y449 | Q444-G446 PolarHBondContact O-N 3.33Å; Q444-S447 WeakPolarHBondContact CA-O 3.37Å; Q444-S447 VanDerWaalsContact CB-O 3.23Å; Q444-S447 WeakPolarHBondContact CB-O 3.39Å; Q444-S447 PolarHBondContact N-O 2.88Å; Q444-S447 VanDerWaalsContact N-O 3.07Å; Q444-S447 CarbonylContact O-C 3.08Å; Q444-S447 PolarHBondContact O-N 3.31Å; Q444-Y449 HydrophobicContact CG-CD1 3.83Å; Q444-Y449 HydrophobicContact CG-CE1 3.72Å | ||
| 445 | P | 77.9 | Confident | 81.4 | Confident | 108 Ų | 108 | 58.4 Ų | 58.4 | 70% | 0.701 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | 103.9 | -177.1 | -29.2 | 37 | 0 | 0 | 0 | 114.1 | F415 D426 | F415-P445 HydrophobicContact CZ-CB 4.15Å; D426-P445 VanDerWaalsContact OD1-CA 3.31Å; D426-P445 WeakPolarHBondContact OD1-CA 2.97Å |
| 446 | G | 74.9 | Confident | 81.8 | Confident | 19 Ų | 19 | 63 Ų | 63 | 20% | 0.196 | 36% | 0.359 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 91.7 | 2.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | D426 Q444 | D426-G446 PolarHBondContact OD1-N 2.02Å; Q444-G446 PolarHBondContact O-N 3.33Å |
| 447 | S | 81.9 | Confident | 81.7 | Confident | 58 Ų | 58 | 69.5 Ų | 69.5 | 41% | 0.406 | 37% | 0.371 | S | S | . | . | trans | -172 | 134.9 | 175.8 | 59.8 | 0 | 0 | 0 | 0 | 114.7 | Q444 | Q444-S447 WeakPolarHBondContact CA-O 3.37Å; Q444-S447 VanDerWaalsContact CB-O 3.23Å; Q444-S447 WeakPolarHBondContact CB-O 3.39Å; Q444-S447 PolarHBondContact N-O 2.88Å; Q444-S447 VanDerWaalsContact N-O 3.07Å; Q444-S447 CarbonylContact O-C 3.08Å; Q444-S447 PolarHBondContact O-N 3.31Å | ||
| 448 | Y | 84.8 | Confident | 81.5 | Confident | 76 Ų | 76 | 71.4 Ų | 71.4 | 30% | 0.298 | 38% | 0.381 | S | S | . | . | trans | -80.9 | 164.1 | 164.4 | 69.2 | -77.7 | 0 | 0 | 0 | 114.9 | E429 A435 S442 H463 | E429-Y448 HydrophobicContact CB-CD1 3.66Å; E429-Y448 HydrophobicContact CB-CE1 4.19Å; E429-Y448 HydrophobicContact CB-CG 4.16Å; E429-Y448 VanDerWaalsContact CD-CD1 3.45Å; E429-Y448 HydrophobicContact CG-CD1 3.84Å; E429-Y448 HydrophobicContact CG-CE1 4.24Å; E429-Y448 VanDerWaalsContact OE2-CD1 3.3Å; E429-Y448 WeakPolarHBondContact OE2-CD1 3.31Å; E429-Y448 PolarHBondContact OE2-N 3.06Å; A435-Y448 HydrophobicContact CB-CD1 3.9Å; A435-Y448 HydrophobicContact CB-CD2 3.25Å; A435-Y448 HydrophobicContact CB-CE1 4.04Å; A435-Y448 HydrophobicContact CB-CE2 3.42Å; A435-Y448 VanDerWaalsContact CB-CE2 3.42Å; A435-Y448 HydrophobicContact CB-CG 3.5Å; S442-Y448 WeakPolarHBondContact O-CA 3.49Å; Y448-H463 AromaticContact CE2-NE2 3.57Å; Y448-H463 AromaticContact CZ-NE2 3.76Å; Y448-H463 PolarHBondContact OH-NE2 3.16Å; Y448-H463 VanDerWaalsContact OH-NE2 3.09Å | ||
| 449 | Y | 83.8 | Confident | 81.3 | Confident | 103 Ų | 103 | 69.2 Ų | 69.2 | 40% | 0.404 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 150.1 | 161.6 | 69 | -79.9 | 0 | 0 | 0 | 112.5 | S442 Q444 I451 | S442-Y449 PolarHBondContact N-O 3.18Å; S442-Y449 WeakPolarHBondContact O-CD1 3.39Å; S442-Y449 PolarHBondContact O-N 3.18Å; Q444-Y449 HydrophobicContact CG-CD1 3.83Å; Q444-Y449 HydrophobicContact CG-CE1 3.72Å; Y449-I451 HydrophobicContact CD2-CD1 4.37Å; Y449-I451 HydrophobicContact CD2-CG1 3.87Å; Y449-I451 HydrophobicContact CE2-CD1 3.6Å; Y449-I451 HydrophobicContact CE2-CG1 3.55Å |
| 450 | C | 87.7 | Confident | 80.8 | Confident | 12 Ų | 12 | 72.2 Ų | 72.2 | 8% | 0.081 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 139.4 | -178.8 | -55.6 | 0 | 0 | 0 | 0 | 112.5 | C437 L458 H462 | C437-C450 WeakPolarHBondContact CA-SG 3.11Å; C437-C450 HydrophobicContact CB-CB 3.68Å; C437-C450 WeakPolarHBondContact CB-SG 3.32Å; C437-C450 WeakPolarHBondContact SG-CA 3.04Å; C437-C450 WeakPolarHBondContact SG-CB 3.14Å; C437-C450 CovalentContact SG-SG 2.03Å; C437-C450 PolarHBondContact SG-SG 2.8Å; C450-L458 HydrophobicContact CB-CD1 3.89Å; C450-H462 WeakPolarHBondContact CB-O 3.43Å; C450-H462 PolarHBondContact SG-O 2.81Å |
| 451 | I | 80.9 | Confident | 80.5 | Confident | 66 Ų | 66 | 70.3 Ų | 70.3 | 34% | 0.338 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 123.8 | -179.4 | -50.1 | 176.4 | 0 | 0 | 0 | 109.5 | H439 H440 Y449 | H439-I451 VanDerWaalsContact CB-O 3.22Å; H439-I451 WeakPolarHBondContact CB-O 3.07Å; H440-I451 HydrophobicContact CB-CB 4.28Å; H440-I451 PolarHBondContact N-O 3.23Å; H440-I451 WeakPolarHBondContact O-CB 3.2Å; H440-I451 PolarHBondContact O-N 3.49Å; Y449-I451 HydrophobicContact CD2-CD1 4.37Å; Y449-I451 HydrophobicContact CD2-CG1 3.87Å; Y449-I451 HydrophobicContact CE2-CD1 3.6Å; Y449-I451 HydrophobicContact CE2-CG1 3.55Å |
| 452 | C | 85.4 | Confident | 79.8 | Confident | 27 Ų | 27 | 76 Ų | 76 | 18% | 0.182 | 42% | 0.421 | C | S | . | . | P | Polyproline II helix | trans | -80.9 | 146.8 | 175 | -62.3 | 0 | 0 | 0 | 0 | 112.5 | Y456 R457 L458 C465 | C452-Y456 WeakPolarHBondContact CB-O 3.44Å; C452-R457 VanDerWaalsContact SG-C 3.59Å; C452-L458 WeakPolarHBondContact SG-CA 3.2Å; C452-L458 VanDerWaalsContact SG-CD1 3.58Å; C452-L458 PolarHBondContact SG-N 2.99Å; C452-C465 WeakPolarHBondContact CA-SG 3.32Å; C452-C465 HydrophobicContact CB-CB 3.87Å; C452-C465 WeakPolarHBondContact CB-SG 3.23Å; C452-C465 VanDerWaalsContact SG-CA 3.59Å; C452-C465 WeakPolarHBondContact SG-CB 3.46Å; C452-C465 CovalentContact SG-SG 2.04Å; C452-C465 PolarHBondContact SG-SG 2.86Å |
| 453 | K | 78.3 | Confident | 79.9 | Confident | 128 Ų | 128 | 77.1 Ų | 77.1 | 56% | 0.557 | 42% | 0.422 | S | S | * | . | P | Polyproline II helix | trans | -65.8 | 153.1 | 170.3 | -63.3 | 173.5 | -167.5 | 149.5 | 0 | 110.2 | H439 G455 Y456 | H439-K453 HydrophobicContact CB-CG 4.37Å; H439-K453 WeakPolarHBondContact CD2-CE 3Å; H439-K453 PolarHBondContact CD2-NZ 3.29Å; H439-K453 PolarHBondContact ND1-N 3.33Å; H439-K453 PolarHBondContact NE2-NZ 2.78Å; K453-G455 PolarHBondContact O-N 2.9Å; K453-Y456 WeakPolarHBondContact O-CB 3.49Å; K453-Y456 PolarHBondContact O-N 3.34Å; K453-Y456 VanDerWaalsContact O-N 3.07Å |
| 454 | A | 77.6 | Confident | 80 | Confident | 104 Ų | 104 | 78.4 Ų | 78.4 | 86% | 0.86 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | 136.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 455 | G | 72.2 | Confident | 80.2 | Confident | 50 Ų | 50 | 74.5 Ų | 74.5 | 52% | 0.515 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.8 | -4.4 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | K453 V468 | K453-G455 PolarHBondContact O-N 2.9Å; G455-V468 PolarHBondContact O-N 3.3Å |
| 456 | Y | 83.6 | Confident | 80.1 | Confident | 112 Ų | 112 | 75.7 Ų | 75.7 | 44% | 0.439 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 145.7 | 179.4 | -63.3 | -108.2 | 0 | 0 | 0 | 111.8 | C452 K453 C465 E466 A467 | C452-Y456 WeakPolarHBondContact CB-O 3.44Å; K453-Y456 WeakPolarHBondContact O-CB 3.49Å; K453-Y456 PolarHBondContact O-N 3.34Å; K453-Y456 VanDerWaalsContact O-N 3.07Å; Y456-C465 HydrophobicContact CD1-CB 4.41Å; Y456-C465 WeakPolarHBondContact CD1-O 2.97Å; Y456-E466 CarbonylContact C-O 3.25Å; Y456-E466 WeakPolarHBondContact CA-O 3.39Å; Y456-A467 HydrophobicContact CD1-CB 3.95Å; Y456-A467 HydrophobicContact CE1-CB 3.65Å |
| 457 | R | 78.9 | Confident | 79.8 | Confident | 178 Ų | 178 | 76.3 Ų | 76.3 | 67% | 0.672 | 41% | 0.414 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 137.7 | 175.8 | 165.9 | 173 | 177 | 146.3 | 3.2 | 110.2 | C452 C465 E466 V468 | C452-R457 VanDerWaalsContact SG-C 3.59Å; R457-C465 CarbonylContact O-C 3.52Å; R457-C465 WeakPolarHBondContact O-CA 3.13Å; R457-E466 PolarHBondContact N-O 3.41Å; R457-E466 PolarHBondContact O-N 2.78Å; R457-V468 HydrophobicContact CB-CG2 3.61Å |
| 458 | L | 79.6 | Confident | 79 | Confident | 49 Ų | 49 | 77.9 Ų | 77.9 | 26% | 0.257 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 130.3 | 170.5 | -162.4 | 73.4 | 0 | 0 | 0 | 109.9 | C450 C452 H462 T464 | C450-L458 HydrophobicContact CB-CD1 3.89Å; C452-L458 WeakPolarHBondContact SG-CA 3.2Å; C452-L458 VanDerWaalsContact SG-CD1 3.58Å; C452-L458 PolarHBondContact SG-N 2.99Å; L458-H462 HydrophobicContact CD2-CB 4.32Å; L458-T464 WeakPolarHBondContact CA-O 2.92Å |
| 459 | T | 80.2 | Confident | 77.6 | Confident | 42 Ų | 42 | 84 Ų | 84 | 26% | 0.258 | 44% | 0.444 | S | S | . | . | trans | -80.5 | 173.6 | 179.5 | 43.8 | 0 | 0 | 0 | 0 | 112.5 | D461 H462 T464 E466 | T459-D461 WeakPolarHBondContact CB-OD1 3.02Å; T459-D461 PolarHBondContact O-N 2.87Å; T459-D461 VanDerWaalsContact O-N 3.17Å; T459-D461 PolarHBondContact OG1-OD1 3.32Å; T459-H462 PolarHBondContact O-N 3.21Å; T459-T464 PolarHBondContact N-O 2.65Å; T459-T464 WeakPolarHBondContact OG1-CB 3.23Å; T459-T464 PolarHBondContact OG1-O 3.31Å; T459-E466 HydrophobicContact CG2-CB 4.06Å | ||
| 460 | A | 77.8 | Confident | 75.2 | Confident | 98 Ų | 98 | 85.2 Ų | 85.2 | 81% | 0.81 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -15.3 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | H462 | A460-H462 PolarHBondContact O-N 3.37Å; A460-H462 PolarHBondContact O-ND1 3.28Å |
| 461 | D | 77.5 | Confident | 72.6 | Confident | 75 Ų | 75 | 91.6 Ų | 91.6 | 40% | 0.401 | 50% | 0.499 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -14.3 | 169.3 | 68.1 | -21.1 | 0 | 0 | 0 | 113.3 | T459 H463 T464 | T459-D461 WeakPolarHBondContact CB-OD1 3.02Å; T459-D461 PolarHBondContact O-N 2.87Å; T459-D461 VanDerWaalsContact O-N 3.17Å; T459-D461 PolarHBondContact OG1-OD1 3.32Å; D461-H463 PolarHBondContact O-N 2.88Å; D461-H463 PolarHBondContact O-ND1 3.33Å; D461-H463 PolarHBondContact OD1-N 3.38Å; D461-H463 VanDerWaalsContact OD1-N 3.1Å; D461-T464 PolarHBondContact OD1-N 2.71Å; D461-T464 VanDerWaalsContact OD2-CB 3.28Å; D461-T464 WeakPolarHBondContact OD2-CB 3.38Å; D461-T464 PolarHBondContact OD2-N 3.01Å; D461-T464 PolarHBondContact OD2-OG1 3.21Å |
| 462 | H | 74.1 | Confident | 70.1 | Confident | 129 Ų | 129 | 93.1 Ų | 93.1 | 60% | 0.597 | 52% | 0.515 | S | S | * | . | S | Bend | trans | 63.7 | 16.7 | -172.8 | -60.4 | 64.4 | 0 | 0 | 0 | 115.1 | C450 L458 T459 A460 | C450-H462 WeakPolarHBondContact CB-O 3.43Å; C450-H462 PolarHBondContact SG-O 2.81Å; L458-H462 HydrophobicContact CD2-CB 4.32Å; T459-H462 PolarHBondContact O-N 3.21Å; A460-H462 PolarHBondContact O-N 3.37Å; A460-H462 PolarHBondContact O-ND1 3.28Å |
| 463 | H | 80.3 | Confident | 67.4 | Low | 53 Ų | 53 | 98.6 Ų | 98.6 | 25% | 0.245 | 54% | 0.542 | C | S | . | . | S | Bend | trans | -127.5 | -43.2 | -176 | -67.8 | 79.5 | 0 | 0 | 0 | 114.1 | D438 Y448 D461 | D438-H463 WeakPolarHBondContact CB-O 2.85Å; D438-H463 PolarHBondContact N-O 2.96Å; Y448-H463 AromaticContact CE2-NE2 3.57Å; Y448-H463 AromaticContact CZ-NE2 3.76Å; Y448-H463 PolarHBondContact OH-NE2 3.16Å; Y448-H463 VanDerWaalsContact OH-NE2 3.09Å; D461-H463 PolarHBondContact O-N 2.88Å; D461-H463 PolarHBondContact O-ND1 3.33Å; D461-H463 PolarHBondContact OD1-N 3.38Å; D461-H463 VanDerWaalsContact OD1-N 3.1Å |
| 464 | T | 83.2 | Confident | 65.3 | Low | 68 Ų | 68 | 99.8 Ų | 99.8 | 42% | 0.417 | 55% | 0.554 | S | S | . | * | trans | -88.9 | 150 | -174.1 | -47.7 | 0 | 0 | 0 | 0 | 112.1 | L458 T459 D461 | L458-T464 WeakPolarHBondContact CA-O 2.92Å; T459-T464 PolarHBondContact N-O 2.65Å; T459-T464 WeakPolarHBondContact OG1-CB 3.23Å; T459-T464 PolarHBondContact OG1-O 3.31Å; D461-T464 PolarHBondContact OD1-N 2.71Å; D461-T464 VanDerWaalsContact OD2-CB 3.28Å; D461-T464 WeakPolarHBondContact OD2-CB 3.38Å; D461-T464 PolarHBondContact OD2-N 3.01Å; D461-T464 PolarHBondContact OD2-OG1 3.21Å | ||
| 465 | C | 84.4 | Confident | 62.9 | Low | 10 Ų | 10 | 104.8 Ų | 104.8 | 7% | 0.068 | 56% | 0.556 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -119.4 | 111.2 | -177 | -68.9 | 0 | 0 | 0 | 0 | 112.7 | D438 H439 C452 Y456 R457 | D438-C465 WeakPolarHBondContact OD2-CB 3.44Å; D438-C465 PolarHBondContact OD2-N 3.14Å; H439-C465 VanDerWaalsContact ND1-CB 3.25Å; H439-C465 WeakPolarHBondContact ND1-CB 3.35Å; H439-C465 PolarHBondContact ND1-SG 3.36Å; C452-C465 WeakPolarHBondContact CA-SG 3.32Å; C452-C465 HydrophobicContact CB-CB 3.87Å; C452-C465 WeakPolarHBondContact CB-SG 3.23Å; C452-C465 VanDerWaalsContact SG-CA 3.59Å; C452-C465 WeakPolarHBondContact SG-CB 3.46Å; C452-C465 CovalentContact SG-SG 2.04Å; C452-C465 PolarHBondContact SG-SG 2.86Å; Y456-C465 HydrophobicContact CD1-CB 4.41Å; Y456-C465 WeakPolarHBondContact CD1-O 2.97Å; R457-C465 CarbonylContact O-C 3.52Å; R457-C465 WeakPolarHBondContact O-CA 3.13Å |
| 466 | E | 75.5 | Confident | 60.8 | Low | 133 Ų | 133 | 106 Ų | 106 | 62% | 0.621 | 57% | 0.57 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -93.8 | 137.8 | 179.9 | -175 | 172.4 | -146.7 | 0 | 0 | 112.2 | Y456 R457 T459 V468 | Y456-E466 CarbonylContact C-O 3.25Å; Y456-E466 WeakPolarHBondContact CA-O 3.39Å; R457-E466 PolarHBondContact N-O 3.41Å; R457-E466 PolarHBondContact O-N 2.78Å; T459-E466 HydrophobicContact CG2-CB 4.06Å; E466-V468 PolarHBondContact O-N 2.73Å |
| 467 | A | 69 | Low | 57.9 | Low | 32 Ų | 32 | 107.8 Ų | 107.8 | 26% | 0.264 | 59% | 0.586 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -72.9 | 121.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y456 Y469 | Y456-A467 HydrophobicContact CD1-CB 3.95Å; Y456-A467 HydrophobicContact CE1-CB 3.65Å; A467-Y469 HydrophobicContact CB-CE2 4.26Å; A467-Y469 PolarHBondContact O-N 2.95Å |
| 468 | V | 63.9 | Low | 55.3 | Low | 90 Ų | 90 | 104 Ų | 104 | 55% | 0.545 | 59% | 0.588 | S | S | . | * | trans | -91.8 | 98.7 | 178.3 | -175.3 | 0 | 0 | 0 | 0 | 109.2 | G455 R457 E466 | G455-V468 PolarHBondContact O-N 3.3Å; R457-V468 HydrophobicContact CB-CG2 3.61Å; E466-V468 PolarHBondContact O-N 2.73Å | ||
| 469 | Y | 55.3 | Low | 52.9 | Low | 204 Ų | 204 | 107 Ų | 107 | 80% | 0.8 | 61% | 0.612 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 125.8 | 176.8 | -67.3 | -83 | 0 | 0 | 0 | 110.8 | A467 D471 | A467-Y469 HydrophobicContact CB-CE2 4.26Å; A467-Y469 PolarHBondContact O-N 2.95Å; Y469-D471 PolarHBondContact O-N 3.29Å |
| 470 | P | 34.9 | Very low | 50.3 | Low | 129 Ų | 129 | 114 Ų | 114 | 84% | 0.838 | 64% | 0.639 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 116.4 | -178.7 | 31 | -32.8 | 0 | 0 | 0 | 111 | ||
| 471 | D | 33.1 | Very low | 47.7 | Very low | 147 Ų | 147 | 116.6 Ų | 116.6 | 79% | 0.786 | 64% | 0.639 | S | S | * | * | P | Polyproline II helix | trans | -97.4 | 157.8 | 160.3 | -157.7 | -6.8 | 0 | 0 | 0 | 110.3 | Y469 | Y469-D471 PolarHBondContact O-N 3.29Š|
| 472 | S | 27.8 | Very low | 45.3 | Very low | 97 Ų | 97 | 116 Ų | 116 | 68% | 0.678 | 64% | 0.641 | S | S | * | * | trans | -42.4 | 138.4 | 172 | -34.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 473 | D | 29.1 | Very low | 42.9 | Very low | 142 Ų | 142 | 119.7 Ų | 119.7 | 76% | 0.759 | 65% | 0.651 | S | S | * | * | -172.9 | -168 | 50.9 | -148.1 | -37.4 | 0 | 0 | 0 | 111.5 | |||||
| 474 | L | 33.2 | Very low | 40.4 | Very low | 153 Ų | 153 | 125 Ų | 125 | 80% | 0.801 | 68% | 0.676 | S | S | * | * | trans | 71.3 | 81.6 | 159.9 | -67.5 | 165.7 | 0 | 0 | 0 | 119.8 | ||||
| 475 | K | 26.5 | Very low | 37.7 | Very low | 209 Ų | 209 | 130.2 Ų | 130.2 | 91% | 0.909 | 70% | 0.699 | S | S | * | * | trans | -21.8 | 134.5 | 146.2 | -55.2 | 150.6 | -175.8 | 166.4 | 0 | 115.3 | ||||
| 476 | G | 28.4 | Very low | 35 | Very low | 77 Ų | 77 | 134.4 Ų | 134.4 | 79% | 0.794 | 73% | 0.729 | S | S | * | * | trans | -151 | -11.1 | -174.9 | 0 | 0 | 0 | 0 | 0 | 123 | ||||
| 477 | N | 24.5 | Very low | 32.8 | Very low | 148 Ų | 148 | 136.2 Ų | 136.2 | 79% | 0.791 | 74% | 0.742 | S | S | * | * | trans | 56.5 | 106.7 | 165.7 | -168.5 | 37.5 | 0 | 0 | 0 | 122 | ||||
| 478 | S | 24.2 | Very low | 31 | Very low | 100 Ų | 100 | 139.6 Ų | 139.6 | 70% | 0.699 | 76% | 0.761 | S | S | * | * | trans | 77.2 | 154.1 | 142 | -71.7 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 479 | S | 28 | Very low | 29.1 | Very low | 110 Ų | 110 | 141.3 Ų | 141.3 | 77% | 0.769 | 77% | 0.771 | S | S | * | * | trans | 66.4 | 102.1 | 167.8 | -64 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 480 | K | 24.9 | Very low | 27.8 | Very low | 191 Ų | 191 | 138.1 Ų | 138.1 | 83% | 0.83 | 77% | 0.768 | S | S | * | * | 65.3 | 112.9 | 87.7 | -80 | -170.1 | 172.9 | -177.6 | 0 | 112.6 | |||||
| 481 | N | 25 | Very low | 27.3 | Very low | 151 Ų | 151 | 137.8 Ų | 137.8 | 81% | 0.807 | 76% | 0.759 | S | S | * | * | 60.9 | 133.9 | 90.2 | -96.6 | 40 | 0 | 0 | 0 | 112.8 | |||||
| 482 | S | 27.3 | Very low | 27 | Very low | 62 Ų | 62 | 135.8 Ų | 135.8 | 43% | 0.434 | 75% | 0.753 | S | S | . | * | cis | 177.1 | 169.3 | -1.6 | 40.2 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 483 | Y | 23.3 | Very low | 26.8 | Very low | 208 Ų | 208 | 137.6 Ų | 137.6 | 82% | 0.816 | 75% | 0.75 | S | S | * | * | trans | 57.9 | 163 | 177.3 | 59.3 | -95.9 | 0 | 0 | 0 | 113.8 | ||||
| 484 | E | 26.6 | Very low | 26.5 | Very low | 165 Ų | 165 | 139 Ų | 139 | 77% | 0.771 | 75% | 0.747 | S | S | * | * | cis | -142.3 | 143.5 | 7.1 | -146.1 | 158.1 | -176.1 | 0 | 0 | 109.2 | ||||
| 485 | I | 26.5 | Very low | 26 | Very low | 176 Ų | 176 | 138.9 Ų | 138.9 | 90% | 0.903 | 74% | 0.741 | S | S | * | * | trans | -86.1 | 119.6 | -177.9 | -63.8 | 175 | 0 | 0 | 0 | 109.7 | ||||
| 486 | S | 28.2 | Very low | 26.2 | Very low | 98 Ų | 98 | 137.6 Ų | 137.6 | 69% | 0.685 | 74% | 0.744 | S | S | * | * | trans | -120.5 | 133.3 | 173.4 | -66.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 487 | L | 28.7 | Very low | 26 | Very low | 171 Ų | 171 | 142 Ų | 142 | 90% | 0.895 | 74% | 0.743 | S | S | * | * | 177 | 156.7 | 126.7 | -91.5 | 170.8 | 0 | 0 | 0 | 110 | |||||
| 488 | P | 31.5 | Very low | 26.2 | Very low | 103 Ų | 103 | 143.2 Ų | 143.2 | 67% | 0.669 | 75% | 0.749 | S | S | * | * | trans | -114.4 | 173.8 | -164.6 | 42.6 | -35 | 0 | 0 | 0 | 115.7 | ||||
| 489 | V | 24.6 | Very low | 26.4 | Very low | 126 Ų | 126 | 143.4 Ų | 143.4 | 76% | 0.764 | 75% | 0.748 | S | S | * | * | trans | 4.4 | 123.2 | 138.9 | -172.1 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 490 | N | 26.8 | Very low | 26.3 | Very low | 137 Ų | 137 | 146.5 Ų | 146.5 | 73% | 0.733 | 75% | 0.75 | S | S | * | * | -172.9 | 172.4 | 78.2 | -153.7 | 5.4 | 0 | 0 | 0 | 114.7 | |||||
| 491 | N | 26 | Very low | 26.4 | Very low | 122 Ų | 122 | 145.4 Ų | 145.4 | 65% | 0.652 | 75% | 0.753 | S | S | * | * | trans | 69 | 112.6 | 158.4 | -94.2 | 29.8 | 0 | 0 | 0 | 121.1 | ||||
| 492 | T | 25.6 | Very low | 26.5 | Very low | 106 Ų | 106 | 143.4 Ų | 143.4 | 65% | 0.65 | 76% | 0.758 | S | S | * | * | 31.7 | 147.8 | 116.4 | 62 | 0 | 0 | 0 | 0 | 121 | |||||
| 493 | E | 23.9 | Very low | 26.5 | Very low | 134 Ų | 134 | 145.3 Ų | 145.3 | 63% | 0.626 | 78% | 0.778 | S | S | * | * | cis | 178.5 | 169.3 | -14.6 | -160.5 | 173.2 | 168.4 | 0 | 0 | 106.1 | ||||
| 494 | Y | 23.1 | Very low | 26.7 | Very low | 173 Ų | 173 | 140.2 Ų | 140.2 | 68% | 0.678 | 78% | 0.778 | S | S | * | * | trans | 76.3 | 130.9 | 164.4 | -66.4 | -66.9 | 0 | 0 | 0 | 123.4 | ||||
| 495 | H | 23 | Very low | 26.5 | Very low | 150 Ų | 150 | 141.6 Ų | 141.6 | 69% | 0.694 | 79% | 0.787 | S | S | * | * | trans | 56.6 | 97.1 | 144.6 | -68.1 | -60.3 | 0 | 0 | 0 | 121.8 | ||||
| 496 | L | 30.8 | Very low | 26.7 | Very low | 182 Ų | 182 | 141.7 Ų | 141.7 | 95% | 0.953 | 78% | 0.783 | S | S | * | * | trans | -130.3 | 117.4 | 134 | -87.4 | 169.3 | 0 | 0 | 0 | 108.9 | ||||
| 497 | E | 23.6 | Very low | 26.7 | Very low | 168 Ų | 168 | 141.8 Ų | 141.8 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | trans | -90.9 | 143.4 | 170.1 | -66.7 | -168.6 | 134.6 | 0 | 0 | 110.6 | ||||
| 498 | L | 28.4 | Very low | 26.4 | Very low | 174 Ų | 174 | 144.1 Ų | 144.1 | 91% | 0.911 | 78% | 0.78 | S | S | * | * | trans | -141.4 | 107.5 | 167.7 | -105.7 | 170.4 | 0 | 0 | 0 | 110.1 | ||||
| 499 | P | 28.1 | Very low | 26.2 | Very low | 104 Ų | 104 | 144.9 Ų | 144.9 | 68% | 0.675 | 79% | 0.788 | S | S | * | * | trans | -88 | 148.8 | -177.9 | 33.4 | -34.2 | 0 | 0 | 0 | 113.3 | ||||
| 500 | Q | 27 | Very low | 26.5 | Very low | 176 Ų | 176 | 143.2 Ų | 143.2 | 82% | 0.822 | 78% | 0.78 | S | S | * | * | trans | 46.5 | 93.5 | 146.8 | -60.1 | 177.8 | 0.1 | 0 | 0 | 118.2 | ||||
| 501 | N | 26.5 | Very low | 26.7 | Very low | 167 Ų | 167 | 148 Ų | 148 | 89% | 0.893 | 79% | 0.789 | S | S | * | * | 173.1 | 99 | 116.8 | -88.6 | -35.9 | 0 | 0 | 0 | 113.2 | |||||
| 502 | A | 26.4 | Very low | 26.7 | Very low | 110 Ų | 110 | 154 Ų | 154 | 91% | 0.909 | 80% | 0.802 | S | S | * | * | trans | -170.3 | 108.1 | 151.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 503 | A | 27.2 | Very low | 26.8 | Very low | 102 Ų | 102 | 152 Ų | 152 | 84% | 0.843 | 80% | 0.804 | S | S | * | * | trans | -131.6 | 152.7 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 504 | A | 28 | Very low | 27.1 | Very low | 100 Ų | 100 | 153.2 Ų | 153.2 | 83% | 0.826 | 82% | 0.82 | S | S | * | * | trans | 68.6 | 95 | 178.5 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 505 | M | 23.6 | Very low | 27.5 | Very low | 195 Ų | 195 | 148.3 Ų | 148.3 | 96% | 0.961 | 82% | 0.821 | S | S | * | * | trans | -118.8 | 123.3 | 134.4 | -76.3 | -176.7 | 65.9 | 0 | 0 | 107.7 | ||||
| 506 | H | 30.9 | Very low | 27.9 | Very low | 178 Ų | 178 | 149.5 Ų | 149.5 | 82% | 0.824 | 83% | 0.827 | S | S | * | * | trans | -136.9 | 132 | 175.5 | -153.4 | -63.8 | 0 | 0 | 0 | 109.5 | ||||
| 507 | P | 26.2 | Very low | 28 | Very low | 100 Ų | 100 | 149.9 Ų | 149.9 | 65% | 0.649 | 82% | 0.821 | S | S | * | * | trans | -87 | 154.6 | -173.2 | -8.8 | 27.7 | 0 | 0 | 0 | 114.5 | ||||
| 508 | Y | 22.8 | Very low | 28.9 | Very low | 220 Ų | 220 | 149 Ų | 149 | 86% | 0.863 | 82% | 0.817 | S | S | * | * | trans | 34.1 | 114.7 | 153.8 | -67.3 | -82.8 | 0 | 0 | 0 | 121.3 | ||||
| 509 | S | 28.3 | Very low | 30 | Very low | 119 Ų | 119 | 147.4 Ų | 147.4 | 83% | 0.832 | 81% | 0.809 | S | S | * | * | -155.9 | 139.7 | 97.4 | -165.9 | 0 | 0 | 0 | 0 | 111 | |||||
| 510 | P | 29.6 | Very low | 31.6 | Very low | 91 Ų | 91 | 144.2 Ų | 144.2 | 59% | 0.591 | 79% | 0.789 | S | S | * | * | trans | -102.2 | 132.9 | -168.9 | 36.2 | -31.5 | 0 | 0 | 0 | 114.8 | ||||
| 511 | Y | 31 | Very low | 33.4 | Very low | 237 Ų | 237 | 140.7 Ų | 140.7 | 93% | 0.929 | 78% | 0.781 | S | S | * | * | -142.8 | 148 | 129.3 | -115 | -81.9 | 0 | 0 | 0 | 109.8 | |||||
| 512 | R | 27 | Very low | 34.8 | Very low | 247 Ų | 247 | 141.5 Ų | 141.5 | 93% | 0.932 | 78% | 0.782 | S | S | * | * | trans | -128 | 123.9 | -164.5 | 177.5 | -168 | -172.4 | -169.5 | 5.3 | 110.1 | ||||
| 513 | G | 28.3 | Very low | 36.7 | Very low | 66 Ų | 66 | 137.1 Ų | 137.1 | 68% | 0.68 | 75% | 0.747 | S | S | * | * | trans | 149.9 | 122.4 | 158.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 514 | V | 29.6 | Very low | 39.3 | Very low | 159 Ų | 159 | 137.2 Ų | 137.2 | 96% | 0.964 | 73% | 0.726 | S | S | * | * | trans | 60.9 | 131 | 138.6 | -168.1 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 515 | G | 31.3 | Very low | 41.6 | Very low | 69 Ų | 69 | 132.7 Ų | 132.7 | 71% | 0.711 | 69% | 0.688 | S | S | * | * | trans | 122.4 | 127.2 | 164 | 0 | 0 | 0 | 0 | 0 | 112.2 | K517 | G515-K517 PolarHBondContact O-N 2.06Š| ||
| 516 | H | 32.3 | Very low | 43.7 | Very low | 176 Ų | 176 | 124.8 Ų | 124.8 | 82% | 0.815 | 66% | 0.656 | S | S | * | * | trans | -53.8 | 126.9 | 173.9 | -95.2 | -126.4 | 0 | 0 | 0 | 111 | E518 | H516-E518 HydrophobicContact CB-CG 4.25Å; H516-E518 PolarHBondContact O-N 2.99Å; H516-E518 VanDerWaalsContact O-N 3.13Å | ||
| 517 | K | 33 | Very low | 45.4 | Very low | 189 Ų | 189 | 124.8 Ų | 124.8 | 82% | 0.822 | 66% | 0.661 | S | S | * | * | trans | -82.6 | 72.1 | 157.7 | -165.9 | -171.1 | -179.8 | -166.6 | 0 | 108.4 | G515 | G515-K517 PolarHBondContact O-N 2.06Š| ||
| 518 | E | 42.2 | Very low | 47.6 | Very low | 151 Ų | 151 | 128.1 Ų | 128.1 | 71% | 0.706 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 133.8 | 156.7 | -75.6 | 176.8 | 175.7 | 0 | 0 | 107.5 | H516 C520 | H516-E518 HydrophobicContact CB-CG 4.25Å; H516-E518 PolarHBondContact O-N 2.99Å; H516-E518 VanDerWaalsContact O-N 3.13Å; E518-C520 PolarHBondContact O-N 2.04Å |
| 519 | D | 51.4 | Low | 50 | Low | 139 Ų | 139 | 119.2 Ų | 119.2 | 74% | 0.743 | 64% | 0.637 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 130.4 | 178.7 | -108.6 | -29.7 | 0 | 0 | 0 | 109 | P521 | D519-P521 WeakPolarHBondContact O-CD 3.48Å; D519-P521 VanDerWaalsContact O-N 3.14Å |
| 520 | C | 60.6 | Low | 52.3 | Low | 38 Ų | 38 | 117.9 Ų | 117.9 | 26% | 0.257 | 62% | 0.618 | S | S | . | * | P | Polyproline II helix | trans | -59 | 120.8 | 171.6 | -59.1 | 0 | 0 | 0 | 0 | 107.9 | E518 R524 C529 | E518-C520 PolarHBondContact O-N 2.04Å; C520-R524 HydrophobicContact CB-CB 4.14Å; C520-R524 WeakPolarHBondContact CB-O 3.22Å; C520-C529 WeakPolarHBondContact CA-SG 3.27Å; C520-C529 HydrophobicContact CB-CB 3.82Å; C520-C529 WeakPolarHBondContact CB-SG 3.32Å; C520-C529 WeakPolarHBondContact SG-CB 3.12Å; C520-C529 CovalentContact SG-SG 2.04Å; C520-C529 PolarHBondContact SG-SG 3.08Å |
| 521 | P | 64.5 | Low | 54.5 | Low | 101 Ų | 101 | 114.7 Ų | 114.7 | 66% | 0.656 | 60% | 0.596 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 144.2 | 179.6 | 22.6 | -32.6 | 0 | 0 | 0 | 110.2 | D519 G523 R524 | D519-P521 WeakPolarHBondContact O-CD 3.48Å; D519-P521 VanDerWaalsContact O-N 3.14Å; P521-G523 PolarHBondContact O-N 3.26Å; P521-R524 PolarHBondContact O-N 2.72Å |
| 522 | M | 56.6 | Low | 56.8 | Low | 185 Ų | 185 | 105.8 Ų | 105.8 | 91% | 0.911 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -44.5 | 118.2 | -163.6 | -69.7 | -168.2 | -62 | 0 | 0 | 113.3 | ||
| 523 | G | 66.5 | Low | 59.3 | Low | 17 Ų | 17 | 95.9 Ų | 95.9 | 18% | 0.175 | 53% | 0.531 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 118.7 | -6.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | P521 E532 C533 | P521-G523 PolarHBondContact O-N 3.26Å; G523-E532 WeakPolarHBondContact O-CA 3.35Å; G523-C533 PolarHBondContact O-N 2.99Å |
| 524 | R | 81.1 | Confident | 61.8 | Low | 104 Ų | 104 | 100.1 Ų | 100.1 | 39% | 0.392 | 53% | 0.531 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 149.6 | -177.5 | -80.2 | 175.7 | 165.4 | -115.2 | 2.4 | 114.7 | C520 P521 C529 N531 E532 | C520-R524 HydrophobicContact CB-CB 4.14Å; C520-R524 WeakPolarHBondContact CB-O 3.22Å; P521-R524 PolarHBondContact O-N 2.72Å; R524-C529 HydrophobicContact CB-CB 4.27Å; R524-C529 PolarHBondContact NH1-O 3.39Å; R524-N531 CarbonylContact C-O 3.58Å; R524-N531 WeakPolarHBondContact CA-O 3.34Å; R524-E532 HydrophobicContact CG-CG 3.64Å; R524-E532 IonicContact CZ-OE1 3.32Å; R524-E532 IonicContact NE-OE1 3.08Å; R524-E532 PolarHBondContact NE-OE1 2.77Å; R524-E532 IonicContact NH2-OE1 3.77Å; R524-E532 PolarHBondContact NH2-OE1 3.31Å |
| 525 | F | 78 | Confident | 64.4 | Low | 6 Ų | 6 | 95.6 Ų | 95.6 | 3% | 0.026 | 50% | 0.499 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 179.9 | -179 | 59.6 | -90.8 | 0 | 0 | 0 | 113 | C529 Q530 N531 Q546 T547 C549 I559 | F525-C529 CarbonylContact O-C 3.59Å; F525-C529 WeakPolarHBondContact O-CA 3.35Å; F525-Q530 PolarHBondContact O-N 3Å; F525-N531 HydrophobicContact CD2-CB 3.8Å; F525-N531 HydrophobicContact CE1-CB 4.42Å; F525-N531 HydrophobicContact CE2-CB 3.55Å; F525-N531 HydrophobicContact CG-CB 4.34Å; F525-N531 HydrophobicContact CZ-CB 3.87Å; F525-N531 PolarHBondContact N-O 2.04Å; F525-N531 WeakPolarHBondContact O-CB 3.35Å; F525-N531 PolarHBondContact O-N 2.84Å; F525-Q546 WeakPolarHBondContact CD1-O 3.17Å; F525-T547 VanDerWaalsContact CB-C 3.46Å; F525-T547 WeakPolarHBondContact CB-O 3.14Å; F525-C549 VanDerWaalsContact CZ-SG 3.54Å; F525-I559 HydrophobicContact CE2-CG2 4.31Å |
| 526 | G | 65.7 | Low | 66.9 | Low | 28 Ų | 28 | 93.3 Ų | 93.3 | 29% | 0.289 | 47% | 0.472 | S | S | . | . | S | Bend | trans | 96.5 | 166.8 | -171.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q528 C529 | G526-Q528 PolarHBondContact O-N 3Å; G526-C529 PolarHBondContact O-N 2.76Å; G526-C529 VanDerWaalsContact O-N 3.08Å |
| 527 | L | 67 | Low | 69.3 | Low | 178 Ų | 178 | 88.8 Ų | 88.8 | 93% | 0.932 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -15.5 | -174.7 | -81.5 | 166 | 0 | 0 | 0 | 115 | ||
| 528 | Q | 72.3 | Confident | 71.4 | Confident | 170 Ų | 170 | 83.3 Ų | 83.3 | 79% | 0.794 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -135.2 | 28.1 | 176.3 | -64.7 | -176.5 | -35.1 | 0 | 0 | 111.8 | G526 Q530 | G526-Q528 PolarHBondContact O-N 3Å; Q528-Q530 PolarHBondContact O-N 2.04Å |
| 529 | C | 74.7 | Confident | 73 | Confident | 33 Ų | 33 | 78.9 Ų | 78.9 | 22% | 0.223 | 43% | 0.428 | C | S | . | . | S | Bend | trans | 51.3 | 28 | -175.2 | -53.2 | 0 | 0 | 0 | 0 | 113.9 | C520 R524 F525 G526 | C520-C529 WeakPolarHBondContact CA-SG 3.27Å; C520-C529 HydrophobicContact CB-CB 3.82Å; C520-C529 WeakPolarHBondContact CB-SG 3.32Å; C520-C529 WeakPolarHBondContact SG-CB 3.12Å; C520-C529 CovalentContact SG-SG 2.04Å; C520-C529 PolarHBondContact SG-SG 3.08Å; R524-C529 HydrophobicContact CB-CB 4.27Å; R524-C529 PolarHBondContact NH1-O 3.39Å; F525-C529 CarbonylContact O-C 3.59Å; F525-C529 WeakPolarHBondContact O-CA 3.35Å; G526-C529 PolarHBondContact O-N 2.76Å; G526-C529 VanDerWaalsContact O-N 3.08Å |
| 530 | Q | 75.6 | Confident | 74.4 | Confident | 91 Ų | 91 | 72.8 Ų | 72.8 | 43% | 0.425 | 40% | 0.398 | S | S | . | . | trans | -82.5 | -18.1 | -170 | 76.1 | -83.8 | 30.4 | 0 | 0 | 113.7 | F525 Q528 | F525-Q530 PolarHBondContact O-N 3Å; Q528-Q530 PolarHBondContact O-N 2.04Å | ||
| 531 | N | 75 | Confident | 75.3 | Confident | 24 Ų | 24 | 79.2 Ų | 79.2 | 13% | 0.128 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 139.9 | 178.8 | -65.5 | -46.3 | 0 | 0 | 0 | 111.2 | R524 F525 H535 I559 | R524-N531 CarbonylContact C-O 3.58Å; R524-N531 WeakPolarHBondContact CA-O 3.34Å; F525-N531 HydrophobicContact CD2-CB 3.8Å; F525-N531 HydrophobicContact CE1-CB 4.42Å; F525-N531 HydrophobicContact CE2-CB 3.55Å; F525-N531 HydrophobicContact CG-CB 4.34Å; F525-N531 HydrophobicContact CZ-CB 3.87Å; F525-N531 PolarHBondContact N-O 2.04Å; F525-N531 WeakPolarHBondContact O-CB 3.35Å; F525-N531 PolarHBondContact O-N 2.84Å; N531-H535 WeakPolarHBondContact CA-ND1 3.36Å; N531-H535 HydrophobicContact CB-CB 4.45Å; N531-H535 PolarHBondContact OD1-ND1 3.37Å; N531-I559 HydrophobicContact CB-CG2 4.36Å |
| 532 | E | 79.3 | Confident | 76.2 | Confident | 50 Ų | 50 | 76.1 Ų | 76.1 | 23% | 0.234 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 162.4 | 169.2 | -71.9 | 173.1 | -158.2 | 0 | 0 | 109.7 | G523 R524 K534 H535 | G523-E532 WeakPolarHBondContact O-CA 3.35Å; R524-E532 HydrophobicContact CG-CG 3.64Å; R524-E532 IonicContact CZ-OE1 3.32Å; R524-E532 IonicContact NE-OE1 3.08Å; R524-E532 PolarHBondContact NE-OE1 2.77Å; R524-E532 IonicContact NH2-OE1 3.77Å; R524-E532 PolarHBondContact NH2-OE1 3.31Å; E532-K534 HydrophobicContact CB-CD 4.37Å; E532-K534 HydrophobicContact CB-CG 4.19Å; E532-K534 PolarHBondContact O-N 2.69Å; E532-K534 IonicContact OE1-NZ 3.03Å; E532-K534 WeakPolarHBondContact OE2-CD 3.02Å; E532-K534 WeakPolarHBondContact OE2-CE 3.39Å; E532-K534 IonicContact OE2-NZ 3.12Å; E532-K534 PolarHBondContact OE2-NZ 2.72Å; E532-H535 PolarHBondContact N-ND1 2.89Å; E532-H535 WeakPolarHBondContact O-CB 3.13Å; E532-H535 PolarHBondContact O-N 3.04Å |
| 533 | C | 80 | Confident | 77.1 | Confident | 39 Ų | 39 | 68.9 Ų | 68.9 | 26% | 0.264 | 36% | 0.362 | S | S | . | . | G | 310 helix | trans | -52.5 | -22 | 175.8 | -76.6 | 0 | 0 | 0 | 0 | 114.8 | G523 H535 C542 | G523-C533 PolarHBondContact O-N 2.99Å; C533-H535 VanDerWaalsContact C-N 3.28Å; C533-H535 PolarHBondContact O-N 3.16Å; C533-C542 WeakPolarHBondContact CA-SG 3.26Å; C533-C542 HydrophobicContact CB-CB 3.43Å; C533-C542 VanDerWaalsContact CB-CB 3.43Å; C533-C542 WeakPolarHBondContact CB-SG 3.15Å; C533-C542 WeakPolarHBondContact SG-CB 3.03Å; C533-C542 CovalentContact SG-SG 2.04Å; C533-C542 PolarHBondContact SG-SG 3.07Å |
| 534 | K | 80.8 | Confident | 77.4 | Confident | 155 Ų | 155 | 80.3 Ų | 80.3 | 67% | 0.674 | 40% | 0.4 | S | S | * | . | G | 310 helix | trans | -75.8 | -7.6 | 175.3 | 81.6 | -159.9 | -176.4 | -160.7 | 0 | 114.4 | E532 | E532-K534 HydrophobicContact CB-CD 4.37Å; E532-K534 HydrophobicContact CB-CG 4.19Å; E532-K534 PolarHBondContact O-N 2.69Å; E532-K534 IonicContact OE1-NZ 3.03Å; E532-K534 WeakPolarHBondContact OE2-CD 3.02Å; E532-K534 WeakPolarHBondContact OE2-CE 3.39Å; E532-K534 IonicContact OE2-NZ 3.12Å; E532-K534 PolarHBondContact OE2-NZ 2.72Å |
| 535 | H | 84.9 | Confident | 76.9 | Confident | 65 Ų | 65 | 83.8 Ų | 83.8 | 30% | 0.301 | 42% | 0.418 | S | S | . | . | G | 310 helix | trans | -93.1 | -1.2 | -178.2 | -62.4 | -179.8 | 0 | 0 | 0 | 113.8 | N531 E532 C533 L537 | N531-H535 WeakPolarHBondContact CA-ND1 3.36Å; N531-H535 HydrophobicContact CB-CB 4.45Å; N531-H535 PolarHBondContact OD1-ND1 3.37Å; E532-H535 PolarHBondContact N-ND1 2.89Å; E532-H535 WeakPolarHBondContact O-CB 3.13Å; E532-H535 PolarHBondContact O-N 3.04Å; C533-H535 VanDerWaalsContact C-N 3.28Å; C533-H535 PolarHBondContact O-N 3.16Å; H535-L537 PolarHBondContact O-N 3.22Å |
| 536 | C | 84 | Confident | 76.5 | Confident | 21 Ų | 21 | 87.4 Ų | 87.4 | 14% | 0.142 | 44% | 0.435 | C | S | . | . | trans | -68.1 | 112.5 | 176.4 | -59.4 | 0 | 0 | 0 | 0 | 110.7 | G540 C549 | C536-G540 WeakPolarHBondContact CB-O 3.29Å; C536-C549 WeakPolarHBondContact CA-SG 3.42Å; C536-C549 HydrophobicContact CB-CB 3.82Å; C536-C549 WeakPolarHBondContact CB-SG 3.45Å; C536-C549 WeakPolarHBondContact SG-CB 3.22Å; C536-C549 CovalentContact SG-SG 2.04Å; C536-C549 PolarHBondContact SG-SG 3.14Å | ||
| 537 | L | 82.2 | Confident | 76.8 | Confident | 81 Ų | 81 | 90.6 Ų | 90.6 | 42% | 0.424 | 45% | 0.449 | S | S | . | . | trans | -86.9 | 174.2 | -178.2 | -59.7 | 178.7 | 0 | 0 | 0 | 111.8 | H535 G539 G540 I559 C560 | H535-L537 PolarHBondContact O-N 3.22Å; L537-G539 PolarHBondContact O-N 2.91Å; L537-G540 PolarHBondContact O-N 2.67Å; L537-I559 WeakPolarHBondContact CB-O 3.44Å; L537-I559 HydrophobicContact CD1-CD1 4.07Å; L537-I559 PolarHBondContact N-O 3.41Å; L537-C560 WeakPolarHBondContact O-CB 3.3Å | ||
| 538 | N | 77.6 | Confident | 77.3 | Confident | 73 Ų | 73 | 82.7 Ų | 82.7 | 39% | 0.39 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.7 | 27.4 | 172.6 | -62 | -40.8 | 0 | 0 | 0 | 115.4 | W555 C560 | N538-W555 HydrophobicContact CB-CD2 3.87Å; N538-W555 HydrophobicContact CB-CE3 4.36Å; N538-W555 HydrophobicContact CB-CG 4.05Å; N538-W555 HydrophobicContact CB-CZ2 4.43Å; N538-W555 VanDerWaalsContact ND2-CZ3 3.25Å; N538-W555 WeakPolarHBondContact ND2-CZ3 3.43Å; N538-C560 PolarHBondContact ND2-O 2.85Å |
| 539 | G | 74.6 | Confident | 77.9 | Confident | 59 Ų | 59 | 75.7 Ų | 75.7 | 61% | 0.608 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.3 | 16.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | L537 | L537-G539 PolarHBondContact O-N 2.91Š|
| 540 | G | 80.3 | Confident | 78.2 | Confident | 11 Ų | 11 | 79.7 Ų | 79.7 | 11% | 0.113 | 40% | 0.396 | C | S | . | . | P | Polyproline II helix | trans | -64.9 | 141.3 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | C536 L537 E550 | C536-G540 WeakPolarHBondContact CB-O 3.29Å; L537-G540 PolarHBondContact O-N 2.67Å; G540-E550 CarbonylContact C-O 3.54Å; G540-E550 WeakPolarHBondContact CA-O 3Å |
| 541 | R | 80.9 | Confident | 78.8 | Confident | 172 Ų | 172 | 76.1 Ų | 76.1 | 65% | 0.649 | 38% | 0.381 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 148.6 | 176.2 | -67 | -170.6 | -174.1 | -102.1 | 17.9 | 110.3 | C549 E550 | R541-C549 CarbonylContact O-C 3.59Å; R541-C549 WeakPolarHBondContact O-CA 3.03Å; R541-E550 PolarHBondContact N-O 3.07Å; R541-E550 VanDerWaalsContact N-O 3.09Å; R541-E550 PolarHBondContact O-N 2.92Å |
| 542 | C | 82.9 | Confident | 79.2 | Confident | 37 Ų | 37 | 83.5 Ų | 83.5 | 25% | 0.25 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 134.1 | 169.6 | -153.8 | 0 | 0 | 0 | 0 | 109.7 | C533 | C533-C542 WeakPolarHBondContact CA-SG 3.26Å; C533-C542 HydrophobicContact CB-CB 3.43Å; C533-C542 VanDerWaalsContact CB-CB 3.43Å; C533-C542 WeakPolarHBondContact CB-SG 3.15Å; C533-C542 WeakPolarHBondContact SG-CB 3.03Å; C533-C542 CovalentContact SG-SG 2.04Å; C533-C542 PolarHBondContact SG-SG 3.07Å |
| 543 | N | 74.6 | Confident | 79.5 | Confident | 33 Ų | 33 | 82.3 Ų | 82.3 | 18% | 0.176 | 41% | 0.406 | C | S | . | . | P | Polyproline II helix | trans | -67.5 | 161.6 | -175.7 | 79.1 | 30.7 | 0 | 0 | 0 | 112.3 | K545 Q546 T547 G548 E550 | N543-K545 PolarHBondContact O-N 3.41Å; N543-K545 WeakPolarHBondContact OD1-CA 3.45Å; N543-K545 PolarHBondContact OD1-N 3.48Å; N543-Q546 PolarHBondContact O-N 3.37Å; N543-Q546 PolarHBondContact OD1-N 2.74Å; N543-T547 PolarHBondContact ND2-OG1 3.05Å; N543-T547 PolarHBondContact OD1-N 3.09Å; N543-T547 PolarHBondContact OD1-OG1 2.82Å; N543-G548 WeakPolarHBondContact CB-O 3.31Å; N543-G548 PolarHBondContact N-O 2.63Å; N543-G548 PolarHBondContact ND2-N 2.78Å; N543-G548 PolarHBondContact ND2-O 2.85Å; N543-E550 VanDerWaalsContact CA-OE1 3.28Å; N543-E550 WeakPolarHBondContact CA-OE1 3.44Å; N543-E550 HydrophobicContact CB-CG 3.93Å; N543-E550 WeakPolarHBondContact CB-OE1 3.49Å |
| 544 | R | 73.5 | Confident | 79.7 | Confident | 256 Ų | 256 | 80.7 Ų | 80.7 | 97% | 0.966 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -11.3 | -177.5 | -105.2 | -172.3 | 178 | -158.7 | -1.1 | 115.9 | ||
| 545 | K | 71.6 | Confident | 80.1 | Confident | 178 Ų | 178 | 77.5 Ų | 77.5 | 77% | 0.774 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.8 | 2.7 | 175 | -65.5 | -170 | 175.6 | -173.6 | 0 | 113.1 | N543 T547 | N543-K545 PolarHBondContact O-N 3.41Å; N543-K545 WeakPolarHBondContact OD1-CA 3.45Å; N543-K545 PolarHBondContact OD1-N 3.48Å; K545-T547 HydrophobicContact CB-CG2 4.05Å; K545-T547 PolarHBondContact O-N 2.81Å |
| 546 | Q | 68.3 | Low | 80.2 | Confident | 82 Ų | 82 | 76.2 Ų | 76.2 | 38% | 0.383 | 38% | 0.376 | S | S | . | . | S | Bend | trans | 58.2 | 20 | -173.9 | -57.6 | 179.4 | -30.4 | 0 | 0 | 114.9 | F525 N543 | F525-Q546 WeakPolarHBondContact CD1-O 3.17Å; N543-Q546 PolarHBondContact O-N 3.37Å; N543-Q546 PolarHBondContact OD1-N 2.74Å |
| 547 | T | 72.5 | Confident | 80.2 | Confident | 95 Ų | 95 | 76.2 Ų | 76.2 | 58% | 0.583 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -94.2 | 0.9 | -175.2 | 59.2 | 0 | 0 | 0 | 0 | 115 | F525 N543 K545 | F525-T547 VanDerWaalsContact CB-C 3.46Å; F525-T547 WeakPolarHBondContact CB-O 3.14Å; N543-T547 PolarHBondContact ND2-OG1 3.05Å; N543-T547 PolarHBondContact OD1-N 3.09Å; N543-T547 PolarHBondContact OD1-OG1 2.82Å; K545-T547 HydrophobicContact CB-CG2 4.05Å; K545-T547 PolarHBondContact O-N 2.81Å |
| 548 | G | 78.2 | Confident | 80.2 | Confident | 12 Ų | 12 | 77 Ų | 77 | 12% | 0.124 | 39% | 0.388 | C | S | . | . | S | Bend | trans | 167.6 | 176.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | N543 | N543-G548 WeakPolarHBondContact CB-O 3.31Å; N543-G548 PolarHBondContact N-O 2.63Å; N543-G548 PolarHBondContact ND2-N 2.78Å; N543-G548 PolarHBondContact ND2-O 2.85Å |
| 549 | C | 84 | Confident | 80.6 | Confident | 23 Ų | 23 | 75.6 Ų | 75.6 | 16% | 0.155 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 137.4 | 178.8 | -56.7 | 0 | 0 | 0 | 0 | 112.5 | F525 C536 R541 C560 | F525-C549 VanDerWaalsContact CZ-SG 3.54Å; C536-C549 WeakPolarHBondContact CA-SG 3.42Å; C536-C549 HydrophobicContact CB-CB 3.82Å; C536-C549 WeakPolarHBondContact CB-SG 3.45Å; C536-C549 WeakPolarHBondContact SG-CB 3.22Å; C536-C549 CovalentContact SG-SG 2.04Å; C536-C549 PolarHBondContact SG-SG 3.14Å; R541-C549 CarbonylContact O-C 3.59Å; R541-C549 WeakPolarHBondContact O-CA 3.03Å; C549-C560 VanDerWaalsContact CB-SG 3.52Å |
| 550 | E | 82.4 | Confident | 81.2 | Confident | 117 Ų | 117 | 72.8 Ų | 72.8 | 55% | 0.547 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 107.4 | 167.9 | -68.4 | 170.5 | -162 | 0 | 0 | 108.6 | G540 R541 N543 | G540-E550 CarbonylContact C-O 3.54Å; G540-E550 WeakPolarHBondContact CA-O 3Å; R541-E550 PolarHBondContact N-O 3.07Å; R541-E550 VanDerWaalsContact N-O 3.09Å; R541-E550 PolarHBondContact O-N 2.92Å; N543-E550 VanDerWaalsContact CA-OE1 3.28Å; N543-E550 WeakPolarHBondContact CA-OE1 3.44Å; N543-E550 HydrophobicContact CB-CG 3.93Å; N543-E550 WeakPolarHBondContact CB-OE1 3.49Å |
| 551 | C | 86.5 | Confident | 81.4 | Confident | 16 Ų | 16 | 76.8 Ų | 76.8 | 11% | 0.108 | 37% | 0.37 | C | S | . | . | P | Polyproline II helix | trans | -84.4 | 141.1 | -170.1 | -56.7 | 0 | 0 | 0 | 0 | 114 | W555 G557 C560 I571 | C551-W555 HydrophobicContact CB-CB 4.46Å; C551-W555 WeakPolarHBondContact CB-O 3.02Å; C551-G557 PolarHBondContact SG-O 2.03Å; C551-C560 WeakPolarHBondContact CA-SG 3.09Å; C551-C560 HydrophobicContact CB-CB 3.69Å; C551-C560 WeakPolarHBondContact CB-SG 3.43Å; C551-C560 WeakPolarHBondContact SG-CA 3.4Å; C551-C560 WeakPolarHBondContact SG-CB 3.4Å; C551-C560 CovalentContact SG-SG 2.04Å; C551-C560 PolarHBondContact SG-SG 3.16Å; C551-I571 WeakPolarHBondContact O-CG2 3.46Å |
| 552 | R | 84.6 | Confident | 81.5 | Confident | 178 Ų | 178 | 73.8 Ų | 73.8 | 67% | 0.672 | 36% | 0.363 | S | S | * | . | P | Polyproline II helix | trans | -70.5 | 159.6 | 179 | -149.6 | 174.7 | -171.1 | -159.8 | 1.6 | 111.2 | G554 W555 | R552-G554 PolarHBondContact O-N 3.46Å; R552-W555 PolarHBondContact O-N 3.36Å; R552-W555 VanDerWaalsContact O-N 3.07Å |
| 553 | A | 85.2 | Confident | 81.6 | Confident | 26 Ų | 26 | 76 Ų | 76 | 22% | 0.215 | 38% | 0.378 | C | S | . | . | B | Isolated β-bridge | trans | -54.8 | 134.2 | 180 | 0 | 0 | 0 | 0 | 0 | 112.4 | G570 I571 V588 | A553-G570 WeakPolarHBondContact CA-O 3.49Å; A553-I571 HydrophobicContact CB-CG1 4.05Å; A553-V588 HydrophobicContact CB-CG1 4.15Å |
| 554 | G | 83.8 | Confident | 82 | Confident | 5 Ų | 5 | 75.1 Ų | 75.1 | 5% | 0.052 | 38% | 0.375 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 92.6 | -7.3 | -172.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | R552 S563 C564 G570 P587 | R552-G554 PolarHBondContact O-N 3.46Å; G554-S563 WeakPolarHBondContact O-CA 3.04Å; G554-C564 WeakPolarHBondContact CA-SG 3.32Å; G554-C564 PolarHBondContact O-N 3.43Å; G554-C564 PolarHBondContact O-SG 2.93Å; G554-G570 PolarHBondContact N-O 2.68Å; G554-G570 VanDerWaalsContact N-O 3.1Å; G554-P587 WeakPolarHBondContact CA-O 3.45Å; G554-P587 PolarHBondContact N-O 3.31Å |
| 555 | W | 88.7 | Confident | 82.3 | Confident | 87 Ų | 87 | 66.5 Ų | 66.5 | 33% | 0.33 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 149.8 | -174.2 | -57.9 | 92 | 0 | 0 | 0 | 114 | N538 C551 R552 N561 E562 G572 | N538-W555 HydrophobicContact CB-CD2 3.87Å; N538-W555 HydrophobicContact CB-CE3 4.36Å; N538-W555 HydrophobicContact CB-CG 4.05Å; N538-W555 HydrophobicContact CB-CZ2 4.43Å; N538-W555 VanDerWaalsContact ND2-CZ3 3.25Å; N538-W555 WeakPolarHBondContact ND2-CZ3 3.43Å; C551-W555 HydrophobicContact CB-CB 4.46Å; C551-W555 WeakPolarHBondContact CB-O 3.02Å; R552-W555 PolarHBondContact O-N 3.36Å; R552-W555 VanDerWaalsContact O-N 3.07Å; W555-N561 WeakPolarHBondContact CZ3-O 3.33Å; W555-E562 CarbonylContact C-O 3.52Å; W555-E562 VanDerWaalsContact CA-O 3.27Å; W555-E562 WeakPolarHBondContact CA-O 3.23Å; W555-G572 WeakPolarHBondContact O-CA 3.32Å |
| 556 | T | 87.8 | Confident | 82.5 | Confident | 39 Ų | 39 | 67 Ų | 67 | 24% | 0.239 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | -173.4 | 179.3 | -164.9 | 0 | 0 | 0 | 0 | 111.8 | C560 N561 E562 | T556-C560 CarbonylContact O-C 3.54Å; T556-C560 VanDerWaalsContact O-CA 3.26Å; T556-C560 WeakPolarHBondContact O-CA 3.48Å; T556-N561 PolarHBondContact O-N 3.42Å; T556-E562 HydrophobicContact CG2-CB 4Å; T556-E562 PolarHBondContact N-O 2.79Å; T556-E562 PolarHBondContact O-N 3Å; T556-E562 VanDerWaalsContact O-N 3.09Å |
| 557 | G | 84.5 | Confident | 82.9 | Confident | 21 Ų | 21 | 64.7 Ų | 64.7 | 22% | 0.216 | 36% | 0.355 | C | S | . | . | S | Bend | trans | 85.3 | 162.4 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | C551 I559 C560 | C551-G557 PolarHBondContact SG-O 2.03Å; G557-I559 PolarHBondContact O-N 3.47Å; G557-C560 PolarHBondContact O-N 2.8Å |
| 558 | V | 81.5 | Confident | 83.5 | Confident | 98 Ų | 98 | 64.3 Ų | 64.3 | 59% | 0.594 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -28.8 | -166.2 | -172.8 | 0 | 0 | 0 | 0 | 114.4 | ||
| 559 | I | 86 | Confident | 83.9 | Confident | 43 Ų | 43 | 67 Ų | 67 | 22% | 0.221 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -121.8 | 20.1 | 176.3 | 61.1 | 167.6 | 0 | 0 | 0 | 113 | F525 N531 L537 G557 N561 | F525-I559 HydrophobicContact CE2-CG2 4.31Å; N531-I559 HydrophobicContact CB-CG2 4.36Å; L537-I559 WeakPolarHBondContact CB-O 3.44Å; L537-I559 HydrophobicContact CD1-CD1 4.07Å; L537-I559 PolarHBondContact N-O 3.41Å; G557-I559 PolarHBondContact O-N 3.47Å; I559-N561 VanDerWaalsContact C-N 3.31Å; I559-N561 HydrophobicContact CG1-CB 4.07Å; I559-N561 PolarHBondContact O-N 3.19Å |
| 560 | C | 88.2 | Confident | 83.8 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 35% | 0.347 | C | S | . | . | S | Bend | trans | 62.1 | 32.8 | 178.9 | -46.6 | 0 | 0 | 0 | 0 | 114.9 | L537 N538 C549 C551 T556 G557 | L537-C560 WeakPolarHBondContact O-CB 3.3Å; N538-C560 PolarHBondContact ND2-O 2.85Å; C549-C560 VanDerWaalsContact CB-SG 3.52Å; C551-C560 WeakPolarHBondContact CA-SG 3.09Å; C551-C560 HydrophobicContact CB-CB 3.69Å; C551-C560 WeakPolarHBondContact CB-SG 3.43Å; C551-C560 WeakPolarHBondContact SG-CA 3.4Å; C551-C560 WeakPolarHBondContact SG-CB 3.4Å; C551-C560 CovalentContact SG-SG 2.04Å; C551-C560 PolarHBondContact SG-SG 3.16Å; T556-C560 CarbonylContact O-C 3.54Å; T556-C560 VanDerWaalsContact O-CA 3.26Å; T556-C560 WeakPolarHBondContact O-CA 3.48Å; G557-C560 PolarHBondContact O-N 2.8Å |
| 561 | N | 84 | Confident | 83.8 | Confident | 95 Ų | 95 | 66.2 Ų | 66.2 | 51% | 0.508 | 35% | 0.35 | S | S | . | . | trans | -80.9 | -30.6 | -178.1 | 158.3 | -69 | 0 | 0 | 0 | 113.1 | W555 T556 I559 | W555-N561 WeakPolarHBondContact CZ3-O 3.33Å; T556-N561 PolarHBondContact O-N 3.42Å; I559-N561 VanDerWaalsContact C-N 3.31Å; I559-N561 HydrophobicContact CG1-CB 4.07Å; I559-N561 PolarHBondContact O-N 3.19Å | ||
| 562 | E | 83.5 | Confident | 83.3 | Confident | 108 Ų | 108 | 66.4 Ų | 66.4 | 51% | 0.505 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 136.9 | -165.5 | -62.3 | 168.6 | -162.1 | 0 | 0 | 110.7 | W555 T556 | W555-E562 CarbonylContact C-O 3.52Å; W555-E562 VanDerWaalsContact CA-O 3.27Å; W555-E562 WeakPolarHBondContact CA-O 3.23Å; T556-E562 HydrophobicContact CG2-CB 4Å; T556-E562 PolarHBondContact N-O 2.79Å; T556-E562 PolarHBondContact O-N 3Å; T556-E562 VanDerWaalsContact O-N 3.09Å |
| 563 | S | 83.9 | Confident | 83 | Confident | 83 Ų | 83 | 58.4 Ų | 58.4 | 58% | 0.58 | 33% | 0.326 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 154.9 | 171.5 | 55 | 0 | 0 | 0 | 0 | 111.3 | G554 | G554-S563 WeakPolarHBondContact O-CA 3.04Å |
| 564 | C | 84.5 | Confident | 82.7 | Confident | 15 Ų | 15 | 63.4 Ų | 63.4 | 10% | 0.101 | 35% | 0.349 | C | S | . | . | P | Polyproline II helix | trans | -54.9 | 138.2 | 177.7 | -62.8 | 0 | 0 | 0 | 0 | 113.5 | G554 F568 C573 P587 | G554-C564 WeakPolarHBondContact CA-SG 3.32Å; G554-C564 PolarHBondContact O-N 3.43Å; G554-C564 PolarHBondContact O-SG 2.93Å; C564-F568 WeakPolarHBondContact CB-O 3.28Å; C564-C573 WeakPolarHBondContact CA-SG 3.35Å; C564-C573 HydrophobicContact CB-CB 3.68Å; C564-C573 WeakPolarHBondContact CB-SG 3.24Å; C564-C573 WeakPolarHBondContact SG-CB 3.46Å; C564-C573 CovalentContact SG-SG 2.03Å; C564-C573 PolarHBondContact SG-SG 2.82Å; C564-P587 HydrophobicContact CB-CB 3.87Å |
| 565 | P | 79.8 | Confident | 82.4 | Confident | 75 Ų | 75 | 66.6 Ų | 66.6 | 49% | 0.487 | 37% | 0.365 | S | S | . | . | P | Polyproline II helix | trans | -60.2 | 156 | 170.2 | -22.8 | 33.8 | 0 | 0 | 0 | 112.6 | G567 F568 | P565-G567 PolarHBondContact O-N 3.21Å; P565-F568 HydrophobicContact CB-CD2 4.25Å; P565-F568 PolarHBondContact O-N 2.9Å |
| 566 | E | 75.6 | Confident | 82 | Confident | 190 Ų | 190 | 68.3 Ų | 68.3 | 89% | 0.888 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | 132.5 | 173.7 | -66.9 | -171.8 | 142.5 | 0 | 0 | 111.1 | ||
| 567 | G | 75.2 | Confident | 81.6 | Confident | 33 Ų | 33 | 67.5 Ų | 67.5 | 34% | 0.34 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.1 | -2.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | P565 C577 | P565-G567 PolarHBondContact O-N 3.21Å; G567-C577 WeakPolarHBondContact O-CB 3.02Å; G567-C577 PolarHBondContact O-N 3.18Å; G567-C577 PolarHBondContact O-SG 3.22Å; G567-C577 VanDerWaalsContact O-SG 3.39Å |
| 568 | F | 85.4 | Confident | 81.2 | Confident | 86 Ų | 86 | 71.1 Ų | 71.1 | 38% | 0.377 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 147.4 | 179.7 | -68.3 | -89.5 | 0 | 0 | 0 | 113.2 | C564 P565 C573 N575 L576 | C564-F568 WeakPolarHBondContact CB-O 3.28Å; P565-F568 HydrophobicContact CB-CD2 4.25Å; P565-F568 PolarHBondContact O-N 2.9Å; F568-C573 HydrophobicContact CB-CB 4.25Å; F568-C573 WeakPolarHBondContact CD1-O 3Å; F568-N575 CarbonylContact C-O 3.57Å; F568-N575 VanDerWaalsContact CA-O 3.31Å; F568-N575 WeakPolarHBondContact CA-O 3.45Å; F568-L576 HydrophobicContact CD1-CD1 4.5Å; F568-L576 HydrophobicContact CE1-CD1 3.98Å; F568-L576 HydrophobicContact CE2-CD1 4.39Å; F568-L576 HydrophobicContact CZ-CD1 3.92Å |
| 569 | W | 87.2 | Confident | 80.9 | Confident | 68 Ų | 68 | 67.7 Ų | 67.7 | 26% | 0.258 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 171.6 | -178.6 | 74.3 | -81.2 | 0 | 0 | 0 | 113.7 | C573 N574 N575 L576 C577 P587 T589 G590 | W569-C573 CarbonylContact O-C 3.51Å; W569-C573 WeakPolarHBondContact O-CA 3.01Å; W569-N574 PolarHBondContact O-N 2.99Å; W569-N575 VanDerWaalsContact CD1-O 3.29Å; W569-N575 HydrophobicContact CD2-CB 3.9Å; W569-N575 HydrophobicContact CG-CB 3.96Å; W569-N575 HydrophobicContact CZ2-CB 4.15Å; W569-N575 WeakPolarHBondContact CZ2-ND2 3.37Å; W569-N575 PolarHBondContact N-O 2.88Å; W569-N575 VanDerWaalsContact NE1-CB 3.33Å; W569-N575 WeakPolarHBondContact O-CB 3.4Å; W569-N575 PolarHBondContact O-N 2.04Å; W569-N575 VanDerWaalsContact O-N 3.07Å; W569-L576 PolarHBondContact NE1-O 3.26Å; W569-C577 VanDerWaalsContact CD1-SG 3.57Å; W569-P587 CarbonylContact C-O 3.33Å; W569-P587 VanDerWaalsContact CA-O 3.28Å; W569-P587 WeakPolarHBondContact CA-O 3.24Å; W569-P587 WeakPolarHBondContact CB-O 3.03Å; W569-T589 WeakPolarHBondContact CZ3-O 3.39Å; W569-G590 VanDerWaalsContact CE3-N 3.31Å |
| 570 | G | 82.5 | Confident | 80.1 | Confident | 4 Ų | 4 | 68.3 Ų | 68.3 | 4% | 0.041 | 38% | 0.383 | C | S | . | . | S | Bend | trans | 86.6 | -166.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | A553 G554 G572 C573 P587 | A553-G570 WeakPolarHBondContact CA-O 3.49Å; G554-G570 PolarHBondContact N-O 2.68Å; G554-G570 VanDerWaalsContact N-O 3.1Å; G570-G572 PolarHBondContact O-N 3.01Å; G570-C573 PolarHBondContact O-N 3.48Å; G570-C573 VanDerWaalsContact O-N 3.08Å; G570-P587 PolarHBondContact N-O 3.04Å |
| 571 | I | 82 | Confident | 78.8 | Confident | 121 Ų | 121 | 71.8 Ų | 71.8 | 62% | 0.621 | 40% | 0.402 | S | S | * | . | B | Isolated β-bridge | trans | -67 | 119.6 | -175.7 | -63.6 | 178.3 | 0 | 0 | 0 | 109.3 | C551 A553 C573 N574 | C551-I571 WeakPolarHBondContact O-CG2 3.46Å; A553-I571 HydrophobicContact CB-CG1 4.05Å; I571-C573 PolarHBondContact O-N 3.47Å; I571-N574 PolarHBondContact O-ND2 3.34Å |
| 572 | G | 74.9 | Confident | 77.7 | Confident | 20 Ų | 20 | 69.6 Ų | 69.6 | 21% | 0.206 | 40% | 0.402 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 65.2 | 9.8 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | W555 G570 N574 | W555-G572 WeakPolarHBondContact O-CA 3.32Å; G570-G572 PolarHBondContact O-N 3.01Å; G572-N574 VanDerWaalsContact C-N 3.32Å; G572-N574 PolarHBondContact O-N 2.82Å |
| 573 | C | 79.7 | Confident | 77 | Confident | 10 Ų | 10 | 65 Ų | 65 | 7% | 0.068 | 38% | 0.384 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 63.1 | 30.5 | -177.7 | -46.6 | 0 | 0 | 0 | 0 | 114.7 | C564 F568 W569 G570 I571 | C564-C573 WeakPolarHBondContact CA-SG 3.35Å; C564-C573 HydrophobicContact CB-CB 3.68Å; C564-C573 WeakPolarHBondContact CB-SG 3.24Å; C564-C573 WeakPolarHBondContact SG-CB 3.46Å; C564-C573 CovalentContact SG-SG 2.03Å; C564-C573 PolarHBondContact SG-SG 2.82Å; F568-C573 HydrophobicContact CB-CB 4.25Å; F568-C573 WeakPolarHBondContact CD1-O 3Å; W569-C573 CarbonylContact O-C 3.51Å; W569-C573 WeakPolarHBondContact O-CA 3.01Å; G570-C573 PolarHBondContact O-N 3.48Å; G570-C573 VanDerWaalsContact O-N 3.08Å; I571-C573 PolarHBondContact O-N 3.47Å |
| 574 | N | 78.4 | Confident | 76.6 | Confident | 130 Ų | 130 | 66.3 Ų | 66.3 | 70% | 0.695 | 38% | 0.384 | S | S | * | . | trans | -79.3 | -12.4 | -174.6 | -67.2 | -62.2 | 0 | 0 | 0 | 115.1 | W569 I571 G572 | W569-N574 PolarHBondContact O-N 2.99Å; I571-N574 PolarHBondContact O-ND2 3.34Å; G572-N574 VanDerWaalsContact C-N 3.32Å; G572-N574 PolarHBondContact O-N 2.82Å | ||
| 575 | N | 78.2 | Confident | 76.3 | Confident | 73 Ų | 73 | 67.1 Ų | 67.1 | 39% | 0.39 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 132.7 | -177.9 | -60.3 | -15.7 | 0 | 0 | 0 | 110.9 | F568 W569 | F568-N575 CarbonylContact C-O 3.57Å; F568-N575 VanDerWaalsContact CA-O 3.31Å; F568-N575 WeakPolarHBondContact CA-O 3.45Å; W569-N575 VanDerWaalsContact CD1-O 3.29Å; W569-N575 HydrophobicContact CD2-CB 3.9Å; W569-N575 HydrophobicContact CG-CB 3.96Å; W569-N575 HydrophobicContact CZ2-CB 4.15Å; W569-N575 WeakPolarHBondContact CZ2-ND2 3.37Å; W569-N575 PolarHBondContact N-O 2.88Å; W569-N575 VanDerWaalsContact NE1-CB 3.33Å; W569-N575 WeakPolarHBondContact O-CB 3.4Å; W569-N575 PolarHBondContact O-N 2.04Å; W569-N575 VanDerWaalsContact O-N 3.07Å |
| 576 | L | 79.9 | Confident | 76.4 | Confident | 123 Ų | 123 | 66.3 Ų | 66.3 | 64% | 0.644 | 38% | 0.381 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 144.2 | 170 | -167.1 | 70.9 | 0 | 0 | 0 | 110.6 | F568 W569 | F568-L576 HydrophobicContact CD1-CD1 4.5Å; F568-L576 HydrophobicContact CE1-CD1 3.98Å; F568-L576 HydrophobicContact CE2-CD1 4.39Å; F568-L576 HydrophobicContact CZ-CD1 3.92Å; W569-L576 PolarHBondContact NE1-O 3.26Å |
| 577 | C | 77.8 | Confident | 76.7 | Confident | 22 Ų | 22 | 59.8 Ų | 59.8 | 15% | 0.149 | 36% | 0.355 | C | S | . | . | P | Polyproline II helix | trans | -85.5 | 126.8 | 177.7 | -66.4 | 0 | 0 | 0 | 0 | 112.4 | G567 W569 C579 C585 | G567-C577 WeakPolarHBondContact O-CB 3.02Å; G567-C577 PolarHBondContact O-N 3.18Å; G567-C577 PolarHBondContact O-SG 3.22Å; G567-C577 VanDerWaalsContact O-SG 3.39Å; W569-C577 VanDerWaalsContact CD1-SG 3.57Å; C577-C579 PolarHBondContact O-N 2.8Å; C577-C585 HydrophobicContact CB-CB 3.53Å; C577-C585 WeakPolarHBondContact CB-SG 3.38Å; C577-C585 WeakPolarHBondContact SG-CB 3.23Å; C577-C585 CovalentContact SG-SG 2.03Å; C577-C585 PolarHBondContact SG-SG 2.96Å |
| 578 | S | 76.5 | Confident | 77.1 | Confident | 97 Ų | 97 | 61.8 Ų | 61.8 | 68% | 0.678 | 36% | 0.36 | S | S | * | . | trans | -80.4 | 15.1 | -179.2 | -48 | 0 | 0 | 0 | 0 | 114.9 | T580 | S578-T580 PolarHBondContact O-N 2.84Å; S578-T580 VanDerWaalsContact O-N 3.13Å | ||
| 579 | C | 76 | Confident | 76.9 | Confident | 25 Ų | 25 | 60.5 Ų | 60.5 | 17% | 0.169 | 36% | 0.36 | C | S | . | . | trans | -76.6 | 102.9 | -169 | -52.8 | 0 | 0 | 0 | 0 | 112.5 | C577 G583 C592 | C577-C579 PolarHBondContact O-N 2.8Å; C579-G583 VanDerWaalsContact CB-O 3.24Å; C579-G583 WeakPolarHBondContact CB-O 3.37Å; C579-C592 WeakPolarHBondContact CA-SG 3.49Å; C579-C592 HydrophobicContact CB-CB 3.74Å; C579-C592 WeakPolarHBondContact CB-SG 3.46Å; C579-C592 WeakPolarHBondContact SG-CA 3.48Å; C579-C592 WeakPolarHBondContact SG-CB 3.03Å; C579-C592 CovalentContact SG-SG 2.04Å; C579-C592 PolarHBondContact SG-SG 2.95Å | ||
| 580 | T | 68.2 | Low | 76.5 | Confident | 56 Ų | 56 | 57.9 Ų | 57.9 | 34% | 0.344 | 35% | 0.354 | S | S | . | . | G | 310 helix | trans | -71.6 | 168.4 | 174.5 | 77.9 | 0 | 0 | 0 | 0 | 111.3 | S578 G582 G583 S602 C603 E604 | S578-T580 PolarHBondContact O-N 2.84Å; S578-T580 VanDerWaalsContact O-N 3.13Å; T580-G582 PolarHBondContact O-N 3.24Å; T580-G583 PolarHBondContact O-N 3.37Å; T580-G583 VanDerWaalsContact O-N 3.09Å; T580-S602 WeakPolarHBondContact CA-O 3.48Å; T580-S602 WeakPolarHBondContact CB-O 3.17Å; T580-S602 PolarHBondContact N-O 2.87Å; T580-S602 PolarHBondContact OG1-O 3.12Å; T580-C603 PolarHBondContact OG1-O 2.87Å; T580-E604 PolarHBondContact OG1-N 3.34Å |
| 581 | N | 62 | Low | 76.2 | Confident | 73 Ų | 73 | 63.8 Ų | 63.8 | 39% | 0.39 | 38% | 0.38 | S | S | . | . | G | 310 helix | trans | 54.5 | 19.3 | 173.4 | -63.6 | -55.6 | 0 | 0 | 0 | 116.1 | Y598 C603 | N581-Y598 HydrophobicContact CB-CD1 3.48Å; N581-Y598 VanDerWaalsContact CB-CD1 3.48Å; N581-Y598 HydrophobicContact CB-CE1 3.5Å; N581-Y598 HydrophobicContact CB-CG 4.02Å; N581-C603 PolarHBondContact ND2-O 3.25Å |
| 582 | G | 59.7 | Low | 76 | Confident | 50 Ų | 50 | 59.3 Ų | 59.3 | 52% | 0.515 | 36% | 0.359 | S | S | . | . | G | 310 helix | trans | 79.2 | 24.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | T580 | T580-G582 PolarHBondContact O-N 3.24Š|
| 583 | G | 70 | Confident | 76.1 | Confident | 11 Ų | 11 | 66 Ų | 66 | 11% | 0.113 | 38% | 0.382 | C | S | . | . | trans | -59.9 | 135.2 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | C579 T580 C585 K593 | C579-G583 VanDerWaalsContact CB-O 3.24Å; C579-G583 WeakPolarHBondContact CB-O 3.37Å; T580-G583 PolarHBondContact O-N 3.37Å; T580-G583 VanDerWaalsContact O-N 3.09Å; G583-C585 PolarHBondContact O-N 2.71Å; G583-K593 WeakPolarHBondContact CA-O 3.45Å | ||
| 584 | L | 74.3 | Confident | 75.8 | Confident | 111 Ų | 111 | 67.6 Ų | 67.6 | 58% | 0.581 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 114.9 | 179.8 | -68.6 | 172.2 | 0 | 0 | 0 | 110.2 | K593 | L584-K593 HydrophobicContact CB-CB 4.33Å; L584-K593 PolarHBondContact N-O 2.84Å; L584-K593 WeakPolarHBondContact O-CB 3.29Å; L584-K593 PolarHBondContact O-N 3.33Å |
| 585 | C | 79.6 | Confident | 75.2 | Confident | 32 Ų | 32 | 65.4 Ų | 65.4 | 22% | 0.216 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 138.5 | -179.9 | -172.2 | 0 | 0 | 0 | 0 | 112.3 | C577 G583 P587 E591 | C577-C585 HydrophobicContact CB-CB 3.53Å; C577-C585 WeakPolarHBondContact CB-SG 3.38Å; C577-C585 WeakPolarHBondContact SG-CB 3.23Å; C577-C585 CovalentContact SG-SG 2.03Å; C577-C585 PolarHBondContact SG-SG 2.96Å; G583-C585 PolarHBondContact O-N 2.71Å; C585-P587 WeakPolarHBondContact O-CD 3.01Å; C585-E591 CarbonylContact C-O 3.51Å; C585-E591 WeakPolarHBondContact CA-O 3.03Å |
| 586 | N | 81.4 | Confident | 74.5 | Confident | 58 Ų | 58 | 64.7 Ų | 64.7 | 31% | 0.31 | 39% | 0.386 | S | S | . | . | trans | -77.8 | 117.5 | 169.5 | -177.6 | -19.4 | 0 | 0 | 0 | 110.3 | V588 T589 G590 E591 | N586-V588 PolarHBondContact O-N 2.03Å; N586-V588 PolarHBondContact OD1-N 3.33Å; N586-T589 VanDerWaalsContact CB-OG1 3.28Å; N586-T589 WeakPolarHBondContact CB-OG1 3.04Å; N586-T589 PolarHBondContact ND2-OG1 2.79Å; N586-T589 PolarHBondContact O-N 3.27Å; N586-G590 WeakPolarHBondContact O-CA 3.4Å; N586-G590 PolarHBondContact O-N 3.07Å; N586-E591 HydrophobicContact CB-CB 4.36Å; N586-E591 PolarHBondContact N-O 3.48Å | ||
| 587 | P | 81.3 | Confident | 73.6 | Confident | 53 Ų | 53 | 59.4 Ų | 59.4 | 34% | 0.344 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -11.7 | -176.1 | 27.7 | -35.9 | 0 | 0 | 0 | 114.2 | G554 C564 W569 G570 C585 | G554-P587 WeakPolarHBondContact CA-O 3.45Å; G554-P587 PolarHBondContact N-O 3.31Å; C564-P587 HydrophobicContact CB-CB 3.87Å; W569-P587 CarbonylContact C-O 3.33Å; W569-P587 VanDerWaalsContact CA-O 3.28Å; W569-P587 WeakPolarHBondContact CA-O 3.24Å; W569-P587 WeakPolarHBondContact CB-O 3.03Å; G570-P587 PolarHBondContact N-O 3.04Å; C585-P587 WeakPolarHBondContact O-CD 3.01Å |
| 588 | V | 83.7 | Confident | 73.2 | Confident | 75 Ų | 75 | 60.8 Ų | 60.8 | 46% | 0.455 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | -37 | 177.3 | -174.6 | 0 | 0 | 0 | 0 | 112.4 | A553 N586 | A553-V588 HydrophobicContact CB-CG1 4.15Å; N586-V588 PolarHBondContact O-N 2.03Å; N586-V588 PolarHBondContact OD1-N 3.33Å |
| 589 | T | 82.7 | Confident | 72.7 | Confident | 59 Ų | 59 | 58.9 Ų | 58.9 | 36% | 0.362 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.4 | -13.3 | -170 | 62.3 | 0 | 0 | 0 | 0 | 115.5 | W569 N586 E591 | W569-T589 WeakPolarHBondContact CZ3-O 3.39Å; N586-T589 VanDerWaalsContact CB-OG1 3.28Å; N586-T589 WeakPolarHBondContact CB-OG1 3.04Å; N586-T589 PolarHBondContact ND2-OG1 2.79Å; N586-T589 PolarHBondContact O-N 3.27Å; T589-E591 WeakPolarHBondContact CB-OE2 3.4Å; T589-E591 PolarHBondContact O-N 3.44Å; T589-E591 WeakPolarHBondContact OG1-CG 3.46Å; T589-E591 PolarHBondContact OG1-OE2 2.88Å |
| 590 | G | 77.7 | Confident | 72.4 | Confident | 13 Ų | 13 | 59.3 Ų | 59.3 | 13% | 0.134 | 36% | 0.359 | C | S | . | . | trans | 79.8 | -6.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | W569 N586 | W569-G590 VanDerWaalsContact CE3-N 3.31Å; N586-G590 WeakPolarHBondContact O-CA 3.4Å; N586-G590 PolarHBondContact O-N 3.07Å | ||
| 591 | E | 76.2 | Confident | 72.5 | Confident | 127 Ų | 127 | 65.4 Ų | 65.4 | 59% | 0.593 | 38% | 0.383 | S | S | * | . | trans | -63.1 | 136.8 | -176 | -66 | 165.1 | 124.2 | 0 | 0 | 112.5 | C585 N586 T589 | C585-E591 CarbonylContact C-O 3.51Å; C585-E591 WeakPolarHBondContact CA-O 3.03Å; N586-E591 HydrophobicContact CB-CB 4.36Å; N586-E591 PolarHBondContact N-O 3.48Å; T589-E591 WeakPolarHBondContact CB-OE2 3.4Å; T589-E591 PolarHBondContact O-N 3.44Å; T589-E591 WeakPolarHBondContact OG1-CG 3.46Å; T589-E591 PolarHBondContact OG1-OE2 2.88Å | ||
| 592 | C | 78.6 | Confident | 73 | Confident | 27 Ų | 27 | 63.4 Ų | 63.4 | 18% | 0.182 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 112.7 | -174.5 | -60.4 | 0 | 0 | 0 | 0 | 112.5 | C579 C594 E601 | C579-C592 WeakPolarHBondContact CA-SG 3.49Å; C579-C592 HydrophobicContact CB-CB 3.74Å; C579-C592 WeakPolarHBondContact CB-SG 3.46Å; C579-C592 WeakPolarHBondContact SG-CA 3.48Å; C579-C592 WeakPolarHBondContact SG-CB 3.03Å; C579-C592 CovalentContact SG-SG 2.04Å; C579-C592 PolarHBondContact SG-SG 2.95Å; C592-C594 PolarHBondContact O-N 3.23Å; C592-E601 WeakPolarHBondContact CB-O 3.4Å |
| 593 | K | 76.5 | Confident | 73.7 | Confident | 160 Ų | 160 | 61 Ų | 61 | 70% | 0.696 | 35% | 0.35 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 98.7 | 174.6 | -169.7 | 174.1 | -174.7 | 175.9 | 0 | 110.5 | G583 L584 | G583-K593 WeakPolarHBondContact CA-O 3.45Å; L584-K593 HydrophobicContact CB-CB 4.33Å; L584-K593 PolarHBondContact N-O 2.84Å; L584-K593 WeakPolarHBondContact O-CB 3.29Å; L584-K593 PolarHBondContact O-N 3.33Å |
| 594 | C | 73.7 | Confident | 73.7 | Confident | 45 Ų | 45 | 65.5 Ų | 65.5 | 30% | 0.304 | 37% | 0.368 | S | S | . | . | P | Polyproline II helix | trans | -65.1 | 146.8 | -173.2 | -50.9 | 0 | 0 | 0 | 0 | 114.2 | C592 C603 | C592-C594 PolarHBondContact O-N 3.23Å; C594-C603 WeakPolarHBondContact CA-SG 3.3Å; C594-C603 HydrophobicContact CB-CB 3.78Å; C594-C603 WeakPolarHBondContact CB-SG 3.37Å; C594-C603 WeakPolarHBondContact SG-CA 3.23Å; C594-C603 WeakPolarHBondContact SG-CB 3.5Å; C594-C603 CovalentContact SG-SG 2.04Å; C594-C603 PolarHBondContact SG-SG 2.78Å |
| 595 | L | 65.7 | Low | 73.4 | Confident | 84 Ų | 84 | 65 Ų | 65 | 44% | 0.44 | 37% | 0.365 | S | S | . | . | P | Polyproline II helix | trans | -73 | 158 | 169.5 | -64 | 175 | 0 | 0 | 0 | 110.8 | G597 Y598 | L595-G597 PolarHBondContact O-N 2.03Å; L595-Y598 HydrophobicContact CB-CD2 4.29Å; L595-Y598 PolarHBondContact O-N 3.07Å; L595-Y598 VanDerWaalsContact O-N 3.12Å |
| 596 | A | 62.5 | Low | 72.6 | Confident | 58 Ų | 58 | 64.7 Ų | 64.7 | 48% | 0.479 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | 131.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | P614 | A596-P614 HydrophobicContact CB-CB 4.13Š|
| 597 | G | 62.5 | Low | 72.2 | Confident | 11 Ų | 11 | 62.1 Ų | 62.1 | 11% | 0.113 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 89.8 | 6.5 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | L595 G606 | L595-G597 PolarHBondContact O-N 2.03Å; G597-G606 WeakPolarHBondContact O-CA 3.48Å |
| 598 | Y | 67.8 | Low | 71.7 | Confident | 51 Ų | 51 | 63.3 Ų | 63.3 | 20% | 0.2 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 151.8 | 175.4 | -62.4 | -87.7 | 0 | 0 | 0 | 112.4 | N581 L595 I605 | N581-Y598 HydrophobicContact CB-CD1 3.48Å; N581-Y598 VanDerWaalsContact CB-CD1 3.48Å; N581-Y598 HydrophobicContact CB-CE1 3.5Å; N581-Y598 HydrophobicContact CB-CG 4.02Å; L595-Y598 HydrophobicContact CB-CD2 4.29Å; L595-Y598 PolarHBondContact O-N 3.07Å; L595-Y598 VanDerWaalsContact O-N 3.12Å; Y598-I605 CarbonylContact C-O 3.4Å; Y598-I605 WeakPolarHBondContact CA-O 3.28Å |
| 599 | S | 67.4 | Low | 70.9 | Confident | 57 Ų | 57 | 64.3 Ų | 64.3 | 40% | 0.399 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.1 | 172.3 | -174.7 | 56.5 | 0 | 0 | 0 | 0 | 111.7 | C603 E604 I605 | S599-C603 CarbonylContact O-C 3.56Å; S599-C603 WeakPolarHBondContact O-CA 3Å; S599-E604 PolarHBondContact O-N 2.95Å; S599-E604 VanDerWaalsContact O-N 3.16Å; S599-I605 PolarHBondContact N-O 2.97Å; S599-I605 WeakPolarHBondContact O-CB 3.35Å; S599-I605 PolarHBondContact O-N 3Å; S599-I605 WeakPolarHBondContact OG-CB 3.45Å; S599-I605 PolarHBondContact OG-O 2.83Å |
| 600 | G | 69.4 | Low | 70.4 | Confident | 35 Ų | 35 | 62.6 Ų | 62.6 | 36% | 0.361 | 36% | 0.364 | S | S | . | . | S | Bend | trans | 95.1 | 160.4 | -168.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | S602 C603 | G600-S602 VanDerWaalsContact C-N 3.3Å; G600-S602 PolarHBondContact O-N 3.12Å; G600-C603 PolarHBondContact O-N 3.37Å |
| 601 | E | 70.3 | Confident | 70.4 | Confident | 184 Ų | 184 | 67.7 Ų | 67.7 | 86% | 0.86 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -30.9 | -173.3 | -65.8 | -171.9 | 158.6 | 0 | 0 | 112.7 | C592 E604 | C592-E601 WeakPolarHBondContact CB-O 3.4Å; E601-E604 PolarHBondContact N-OE2 2.84Å |
| 602 | S | 71.3 | Confident | 70.4 | Confident | 31 Ų | 31 | 63.4 Ų | 63.4 | 22% | 0.217 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100 | 10.6 | 171.9 | 77.3 | 0 | 0 | 0 | 0 | 113 | T580 G600 E604 | T580-S602 WeakPolarHBondContact CA-O 3.48Å; T580-S602 WeakPolarHBondContact CB-O 3.17Å; T580-S602 PolarHBondContact N-O 2.87Å; T580-S602 PolarHBondContact OG1-O 3.12Å; G600-S602 VanDerWaalsContact C-N 3.3Å; G600-S602 PolarHBondContact O-N 3.12Å; S602-E604 VanDerWaalsContact C-N 3.31Å; S602-E604 WeakPolarHBondContact CA-OE2 3.01Å; S602-E604 WeakPolarHBondContact CB-OE2 3.45Å; S602-E604 PolarHBondContact N-OE2 3.39Å; S602-E604 PolarHBondContact OG-OE2 2.83Å |
| 603 | C | 74.7 | Confident | 69.9 | Low | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 35% | 0.352 | C | S | . | . | S | Bend | trans | 64.3 | 26.1 | -172.5 | -50.5 | 0 | 0 | 0 | 0 | 115.2 | T580 N581 C594 S599 G600 | T580-C603 PolarHBondContact OG1-O 2.87Å; N581-C603 PolarHBondContact ND2-O 3.25Å; C594-C603 WeakPolarHBondContact CA-SG 3.3Å; C594-C603 HydrophobicContact CB-CB 3.78Å; C594-C603 WeakPolarHBondContact CB-SG 3.37Å; C594-C603 WeakPolarHBondContact SG-CA 3.23Å; C594-C603 WeakPolarHBondContact SG-CB 3.5Å; C594-C603 CovalentContact SG-SG 2.04Å; C594-C603 PolarHBondContact SG-SG 2.78Å; S599-C603 CarbonylContact O-C 3.56Å; S599-C603 WeakPolarHBondContact O-CA 3Å; G600-C603 PolarHBondContact O-N 3.37Å |
| 604 | E | 70.5 | Confident | 69.3 | Low | 104 Ų | 104 | 59.3 Ų | 59.3 | 49% | 0.486 | 35% | 0.348 | S | S | . | . | trans | -67.2 | -32.9 | -174.1 | 60.8 | -109.9 | -132.5 | 0 | 0 | 115.8 | T580 S599 E601 S602 | T580-E604 PolarHBondContact OG1-N 3.34Å; S599-E604 PolarHBondContact O-N 2.95Å; S599-E604 VanDerWaalsContact O-N 3.16Å; E601-E604 PolarHBondContact N-OE2 2.84Å; S602-E604 VanDerWaalsContact C-N 3.31Å; S602-E604 WeakPolarHBondContact CA-OE2 3.01Å; S602-E604 WeakPolarHBondContact CB-OE2 3.45Å; S602-E604 PolarHBondContact N-OE2 3.39Å; S602-E604 PolarHBondContact OG-OE2 2.83Å | ||
| 605 | I | 66.9 | Low | 69.1 | Low | 102 Ų | 102 | 67.1 Ų | 67.1 | 52% | 0.523 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 110.2 | -170.9 | -61.7 | 162.2 | 0 | 0 | 0 | 109.6 | Y598 S599 | Y598-I605 CarbonylContact C-O 3.4Å; Y598-I605 WeakPolarHBondContact CA-O 3.28Å; S599-I605 PolarHBondContact N-O 2.97Å; S599-I605 WeakPolarHBondContact O-CB 3.35Å; S599-I605 PolarHBondContact O-N 3Å; S599-I605 WeakPolarHBondContact OG-CB 3.45Å; S599-I605 PolarHBondContact OG-O 2.83Å |
| 606 | G | 64.6 | Low | 69.2 | Low | 24 Ų | 24 | 64.8 Ų | 64.8 | 25% | 0.247 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 175.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | G597 | G597-G606 WeakPolarHBondContact O-CA 3.48Å |
| 607 | C | 71.1 | Confident | 69.8 | Low | 4 Ų | 4 | 66 Ų | 66 | 3% | 0.027 | 36% | 0.361 | C | S | . | . | P | Polyproline II helix | trans | -55.6 | 147.1 | -173.1 | -59.4 | 0 | 0 | 0 | 0 | 116.3 | C616 R631 | C607-C616 WeakPolarHBondContact CA-SG 3.38Å; C607-C616 HydrophobicContact CB-CB 3.53Å; C607-C616 WeakPolarHBondContact CB-SG 3.08Å; C607-C616 VanDerWaalsContact SG-CA 3.52Å; C607-C616 WeakPolarHBondContact SG-CB 3.47Å; C607-C616 CovalentContact SG-SG 2.04Å; C607-C616 PolarHBondContact SG-SG 2.81Å; C607-R631 HydrophobicContact CB-CG 4.1Å; C607-R631 PolarHBondContact O-NE 3.45Å; C607-R631 VanDerWaalsContact O-NE 3.14Å; C607-R631 PolarHBondContact O-NH2 3.38Å |
| 608 | P | 71.5 | Confident | 70.2 | Confident | 78 Ų | 78 | 69 Ų | 69 | 51% | 0.506 | 37% | 0.373 | S | S | . | . | P | Polyproline II helix | trans | -62.4 | 160.9 | 173 | -21 | 33.3 | 0 | 0 | 0 | 114 | Y611 | P608-Y611 PolarHBondContact O-N 3.03Š|
| 609 | P | 67.8 | Low | 70.6 | Confident | 97 Ų | 97 | 70.9 Ų | 70.9 | 63% | 0.63 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | 142.8 | 172.6 | -23.4 | 34.2 | 0 | 0 | 0 | 112.5 | Y611 | P609-Y611 VanDerWaalsContact C-N 3.34Å; P609-Y611 WeakPolarHBondContact O-CD2 3.41Å |
| 610 | G | 71 | Confident | 70.7 | Confident | 23 Ų | 23 | 69.7 Ų | 69.7 | 24% | 0.237 | 38% | 0.383 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 85.1 | -12 | -178.1 | 0 | 0 | 0 | 0 | 0 | 116 | P619 C620 S627 | G610-P619 WeakPolarHBondContact O-CA 3.27Å; G610-C620 PolarHBondContact O-N 3.16Å; G610-C620 PolarHBondContact O-SG 3.45Å; G610-C620 VanDerWaalsContact O-SG 3.36Å; G610-S627 WeakPolarHBondContact CA-O 3.32Å; G610-S627 PolarHBondContact N-O 2.81Å |
| 611 | Y | 78 | Confident | 70.7 | Confident | 119 Ų | 119 | 77.9 Ų | 77.9 | 47% | 0.467 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 150.4 | -173 | -62.9 | -91.8 | 0 | 0 | 0 | 114.5 | P608 P609 C616 L618 | P608-Y611 PolarHBondContact O-N 3.03Å; P609-Y611 VanDerWaalsContact C-N 3.34Å; P609-Y611 WeakPolarHBondContact O-CD2 3.41Å; Y611-C616 WeakPolarHBondContact CB-O 3.05Å; Y611-L618 CarbonylContact C-O 3.5Å; Y611-L618 VanDerWaalsContact CA-O 3.31Å; Y611-L618 WeakPolarHBondContact CA-O 3.39Å |
| 612 | Y | 76.7 | Confident | 70.3 | Confident | 38 Ų | 38 | 73.1 Ų | 73.1 | 15% | 0.149 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 177.7 | 178.5 | 84.7 | -87.1 | 0 | 0 | 0 | 111.1 | C616 D617 L618 P619 R631 | Y612-C616 CarbonylContact O-C 3.49Å; Y612-D617 PolarHBondContact O-N 2.91Å; Y612-L618 HydrophobicContact CD1-CB 3.74Å; Y612-L618 WeakPolarHBondContact CD1-O 3.42Å; Y612-L618 HydrophobicContact CD2-CB 4.35Å; Y612-L618 HydrophobicContact CD2-CD1 4.28Å; Y612-L618 HydrophobicContact CE1-CB 3.57Å; Y612-L618 HydrophobicContact CE1-CD1 4.47Å; Y612-L618 HydrophobicContact CE2-CB 4.2Å; Y612-L618 HydrophobicContact CE2-CD1 3.73Å; Y612-L618 HydrophobicContact CG-CB 4.14Å; Y612-L618 PolarHBondContact N-O 2.79Å; Y612-L618 WeakPolarHBondContact O-CB 3.33Å; Y612-L618 PolarHBondContact O-N 2.89Å; Y612-P619 VanDerWaalsContact CE1-O 3.3Å; Y612-P619 WeakPolarHBondContact CE1-O 3.34Å; Y612-R631 WeakPolarHBondContact CB-O 3.12Å |
| 613 | G | 67.5 | Low | 70.1 | Confident | 4 Ų | 4 | 81.2 Ų | 81.2 | 4% | 0.041 | 42% | 0.416 | C | S | . | . | S | Bend | trans | 98.7 | 169.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | R615 C616 R631 | G613-R615 PolarHBondContact O-N 2.94Å; G613-R615 VanDerWaalsContact O-N 3.08Å; G613-C616 PolarHBondContact O-N 2.92Å; G613-R631 PolarHBondContact N-O 2.04Å |
| 614 | P | 63.5 | Low | 69.7 | Low | 97 Ų | 97 | 81.8 Ų | 81.8 | 63% | 0.63 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -16 | -170.7 | 27.4 | -36.3 | 0 | 0 | 0 | 114.4 | A596 | A596-P614 HydrophobicContact CB-CB 4.13Š|
| 615 | R | 70 | Confident | 69.2 | Low | 208 Ų | 208 | 85.3 Ų | 85.3 | 79% | 0.785 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.4 | 11.9 | 174 | -65.3 | 175 | 174.5 | 160.4 | -2.6 | 112.8 | G613 D617 | G613-R615 PolarHBondContact O-N 2.94Å; G613-R615 VanDerWaalsContact O-N 3.08Å; R615-D617 HydrophobicContact CB-CB 4.31Å; R615-D617 PolarHBondContact O-N 2.87Å |
| 616 | C | 69.1 | Low | 68.8 | Low | 36 Ų | 36 | 86.7 Ų | 86.7 | 24% | 0.243 | 45% | 0.45 | C | S | . | . | S | Bend | trans | 56.4 | 37.2 | -176.1 | -50.2 | 0 | 0 | 0 | 0 | 113.4 | C607 Y611 Y612 G613 | C607-C616 WeakPolarHBondContact CA-SG 3.38Å; C607-C616 HydrophobicContact CB-CB 3.53Å; C607-C616 WeakPolarHBondContact CB-SG 3.08Å; C607-C616 VanDerWaalsContact SG-CA 3.52Å; C607-C616 WeakPolarHBondContact SG-CB 3.47Å; C607-C616 CovalentContact SG-SG 2.04Å; C607-C616 PolarHBondContact SG-SG 2.81Å; Y611-C616 WeakPolarHBondContact CB-O 3.05Å; Y612-C616 CarbonylContact O-C 3.49Å; G613-C616 PolarHBondContact O-N 2.92Å |
| 617 | D | 74.2 | Confident | 68.6 | Low | 84 Ų | 84 | 89 Ų | 89 | 45% | 0.449 | 46% | 0.462 | S | S | . | . | trans | -111 | -12.3 | -168.8 | 52.6 | -20.5 | 0 | 0 | 0 | 114.2 | Y612 R615 | Y612-D617 PolarHBondContact O-N 2.91Å; R615-D617 HydrophobicContact CB-CB 4.31Å; R615-D617 PolarHBondContact O-N 2.87Å | ||
| 618 | L | 72 | Confident | 68.3 | Low | 73 Ų | 73 | 92.1 Ų | 92.1 | 38% | 0.382 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 124.2 | 178.7 | -56.9 | 176.5 | 0 | 0 | 0 | 110.5 | Y611 Y612 | Y611-L618 CarbonylContact C-O 3.5Å; Y611-L618 VanDerWaalsContact CA-O 3.31Å; Y611-L618 WeakPolarHBondContact CA-O 3.39Å; Y612-L618 HydrophobicContact CD1-CB 3.74Å; Y612-L618 WeakPolarHBondContact CD1-O 3.42Å; Y612-L618 HydrophobicContact CD2-CB 4.35Å; Y612-L618 HydrophobicContact CD2-CD1 4.28Å; Y612-L618 HydrophobicContact CE1-CB 3.57Å; Y612-L618 HydrophobicContact CE1-CD1 4.47Å; Y612-L618 HydrophobicContact CE2-CB 4.2Å; Y612-L618 HydrophobicContact CE2-CD1 3.73Å; Y612-L618 HydrophobicContact CG-CB 4.14Å; Y612-L618 PolarHBondContact N-O 2.79Å; Y612-L618 WeakPolarHBondContact O-CB 3.33Å; Y612-L618 PolarHBondContact O-N 2.89Å |
| 619 | P | 74.2 | Confident | 68.3 | Low | 90 Ų | 90 | 88.7 Ų | 88.7 | 58% | 0.584 | 46% | 0.459 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71 | 143.4 | 175.5 | 29.5 | -34.3 | 0 | 0 | 0 | 111.1 | G610 Y612 R621 | G610-P619 WeakPolarHBondContact O-CA 3.27Å; Y612-P619 VanDerWaalsContact CE1-O 3.3Å; Y612-P619 WeakPolarHBondContact CE1-O 3.34Å; P619-R621 PolarHBondContact O-N 2.96Å |
| 620 | C | 71.1 | Confident | 68.3 | Low | 33 Ų | 33 | 85.2 Ų | 85.2 | 22% | 0.223 | 44% | 0.435 | C | S | . | . | P | Polyproline II helix | trans | -46.8 | 127.4 | -177.3 | -68.7 | 0 | 0 | 0 | 0 | 113.2 | G610 M622 C629 | G610-C620 PolarHBondContact O-N 3.16Å; G610-C620 PolarHBondContact O-SG 3.45Å; G610-C620 VanDerWaalsContact O-SG 3.36Å; C620-M622 PolarHBondContact O-N 3.34Å; C620-M622 VanDerWaalsContact O-N 3.16Å; C620-C629 WeakPolarHBondContact CA-SG 3.46Å; C620-C629 HydrophobicContact CB-CB 3.68Å; C620-C629 WeakPolarHBondContact CB-SG 3.39Å; C620-C629 WeakPolarHBondContact SG-CB 3.41Å; C620-C629 CovalentContact SG-SG 2.04Å; C620-C629 PolarHBondContact SG-SG 2.81Å |
| 621 | R | 68.3 | Low | 68.2 | Low | 207 Ų | 207 | 87.9 Ų | 87.9 | 78% | 0.781 | 44% | 0.437 | S | S | * | . | S | Bend | trans | -67.8 | -16.6 | -174.5 | -174 | 173.2 | 178.4 | 172 | 1.3 | 113.3 | P619 G634 | P619-R621 PolarHBondContact O-N 2.96Å; R621-G634 WeakPolarHBondContact CB-O 3.07Å; R621-G634 PolarHBondContact N-O 2.88Å |
| 622 | M | 61.6 | Low | 67.6 | Low | 84 Ų | 84 | 85.3 Ų | 85.3 | 41% | 0.414 | 44% | 0.435 | S | S | . | . | S | Bend | trans | -138.6 | 147.1 | -177.5 | -45.8 | -169.1 | 91.5 | 0 | 0 | 109.4 | C620 C624 R645 | C620-M622 PolarHBondContact O-N 3.34Å; C620-M622 VanDerWaalsContact O-N 3.16Å; M622-C624 PolarHBondContact O-N 2.61Å; M622-C624 PolarHBondContact O-SG 3.06Å; M622-C624 VanDerWaalsContact O-SG 3.41Å; M622-R645 HydrophobicContact CE-CG 4.07Å |
| 623 | H | 68 | Low | 67.4 | Low | 200 Ų | 200 | 90.2 Ų | 90.2 | 93% | 0.926 | 45% | 0.454 | S | S | * | . | trans | -72.1 | 110.5 | 173 | -109.4 | -87.1 | 0 | 0 | 0 | 109.8 | ||||
| 624 | C | 66 | Low | 67.5 | Low | 13 Ų | 13 | 90 Ų | 90 | 9% | 0.088 | 45% | 0.452 | C | S | . | . | trans | -100.1 | 144.3 | 177.6 | -49.8 | 0 | 0 | 0 | 0 | 110.1 | M622 N626 S627 V628 C636 | M622-C624 PolarHBondContact O-N 2.61Å; M622-C624 PolarHBondContact O-SG 3.06Å; M622-C624 VanDerWaalsContact O-SG 3.41Å; C624-N626 PolarHBondContact O-N 3.49Å; C624-N626 VanDerWaalsContact O-N 3.07Å; C624-S627 PolarHBondContact O-N 2.66Å; C624-V628 WeakPolarHBondContact CB-O 3.38Å; C624-C636 WeakPolarHBondContact CA-SG 3.37Å; C624-C636 HydrophobicContact CB-CB 3.8Å; C624-C636 WeakPolarHBondContact CB-SG 3.45Å; C624-C636 WeakPolarHBondContact SG-CA 3.03Å; C624-C636 WeakPolarHBondContact SG-CB 3.41Å; C624-C636 CovalentContact SG-SG 2.04Å; C624-C636 PolarHBondContact SG-SG 2.79Å | ||
| 625 | L | 60.5 | Low | 67.9 | Low | 178 Ų | 178 | 88 Ų | 88 | 93% | 0.932 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -34.8 | -169.5 | -156 | 73.8 | 0 | 0 | 0 | 113.8 | ||
| 626 | N | 58.1 | Low | 68 | Low | 131 Ų | 131 | 79 Ų | 79 | 70% | 0.701 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.3 | 16.5 | -180 | -61.5 | 9.7 | 0 | 0 | 0 | 113.1 | C624 V628 | C624-N626 PolarHBondContact O-N 3.49Å; C624-N626 VanDerWaalsContact O-N 3.07Å; N626-V628 PolarHBondContact O-N 2.03Å |
| 627 | S | 60 | Low | 67.8 | Low | 73 Ų | 73 | 79.2 Ų | 79.2 | 51% | 0.51 | 40% | 0.402 | S | S | . | . | S | Bend | trans | 57.3 | 17.5 | -173.9 | -57.6 | 0 | 0 | 0 | 0 | 115.6 | G610 C624 | G610-S627 WeakPolarHBondContact CA-O 3.32Å; G610-S627 PolarHBondContact N-O 2.81Å; C624-S627 PolarHBondContact O-N 2.66Å |
| 628 | V | 65.8 | Low | 67.9 | Low | 69 Ų | 69 | 75.3 Ų | 75.3 | 42% | 0.418 | 38% | 0.381 | S | S | . | . | trans | -111.1 | 121.3 | 176.4 | 177.1 | 0 | 0 | 0 | 0 | 109.5 | C624 N626 P637 | C624-V628 WeakPolarHBondContact CB-O 3.38Å; N626-V628 PolarHBondContact O-N 2.03Å; V628-P637 WeakPolarHBondContact O-CD 3.48Å | ||
| 629 | C | 71.1 | Confident | 68 | Low | 6 Ų | 6 | 75.1 Ų | 75.1 | 4% | 0.041 | 38% | 0.384 | C | S | . | . | trans | -106.7 | 169.4 | 170.4 | 55.9 | 0 | 0 | 0 | 0 | 111.7 | C620 R631 Y635 | C620-C629 WeakPolarHBondContact CA-SG 3.46Å; C620-C629 HydrophobicContact CB-CB 3.68Å; C620-C629 WeakPolarHBondContact CB-SG 3.39Å; C620-C629 WeakPolarHBondContact SG-CB 3.41Å; C620-C629 CovalentContact SG-SG 2.04Å; C620-C629 PolarHBondContact SG-SG 2.81Å; C629-R631 PolarHBondContact O-N 2.71Å; C629-Y635 CarbonylContact C-O 3.52Å; C629-Y635 WeakPolarHBondContact CA-O 3.38Å; C629-Y635 WeakPolarHBondContact CB-O 3.33Å | ||
| 630 | D | 67.7 | Low | 68.2 | Low | 24 Ų | 24 | 72.9 Ų | 72.9 | 13% | 0.128 | 37% | 0.37 | C | S | . | . | trans | -57.8 | 118.9 | 167.7 | 176.2 | -55.2 | 0 | 0 | 0 | 108.9 | T632 Y633 G634 Y635 R661 | D630-T632 PolarHBondContact O-N 3.46Å; D630-T632 VanDerWaalsContact O-N 3.12Å; D630-T632 WeakPolarHBondContact OD1-CA 3.38Å; D630-T632 WeakPolarHBondContact OD1-CB 3.48Å; D630-T632 PolarHBondContact OD1-N 2.78Å; D630-Y633 PolarHBondContact O-N 3.47Å; D630-Y633 VanDerWaalsContact OD1-CD2 3.31Å; D630-Y633 WeakPolarHBondContact OD1-CD2 3.38Å; D630-Y633 PolarHBondContact OD1-N 2.04Å; D630-G634 WeakPolarHBondContact O-CA 3.02Å; D630-G634 PolarHBondContact O-N 2.98Å; D630-Y635 HydrophobicContact CB-CD1 4.05Å; D630-Y635 HydrophobicContact CB-CE1 3.68Å; D630-Y635 HydrophobicContact CB-CE2 4.35Å; D630-Y635 WeakPolarHBondContact CB-O 3.45Å; D630-Y635 PolarHBondContact N-O 2.76Å; D630-Y635 WeakPolarHBondContact OD2-CE1 3.5Å; D630-Y635 PolarHBondContact OD2-OH 2.87Å; D630-Y635 VanDerWaalsContact OD2-OH 3.07Å; D630-R661 IonicContact OD2-CZ 3.79Å; D630-R661 IonicContact OD2-NH1 3.33Å; D630-R661 PolarHBondContact OD2-NH1 3.06Å; D630-R661 VanDerWaalsContact OD2-NH1 3.12Å | ||
| 631 | R | 69.6 | Low | 68.6 | Low | 78 Ų | 78 | 71.7 Ų | 71.7 | 29% | 0.294 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -13.7 | -173 | -69.9 | 179.1 | 171.4 | 142.5 | -8.2 | 114.4 | C607 Y612 G613 C629 | C607-R631 HydrophobicContact CB-CG 4.1Å; C607-R631 PolarHBondContact O-NE 3.45Å; C607-R631 VanDerWaalsContact O-NE 3.14Å; C607-R631 PolarHBondContact O-NH2 3.38Å; Y612-R631 WeakPolarHBondContact CB-O 3.12Å; G613-R631 PolarHBondContact N-O 2.04Å; C629-R631 PolarHBondContact O-N 2.71Å |
| 632 | T | 64.8 | Low | 69.4 | Low | 66 Ų | 66 | 64.5 Ų | 64.5 | 41% | 0.405 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | -38.9 | 179.6 | -52.6 | 0 | 0 | 0 | 0 | 111.5 | D630 | D630-T632 PolarHBondContact O-N 3.46Å; D630-T632 VanDerWaalsContact O-N 3.12Å; D630-T632 WeakPolarHBondContact OD1-CA 3.38Å; D630-T632 WeakPolarHBondContact OD1-CB 3.48Å; D630-T632 PolarHBondContact OD1-N 2.78Å |
| 633 | Y | 73.1 | Confident | 70.3 | Confident | 140 Ų | 140 | 64.2 Ų | 64.2 | 55% | 0.549 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119 | -10.8 | -167.3 | -57.8 | -74.6 | 0 | 0 | 0 | 115.2 | D630 Y635 R661 | D630-Y633 PolarHBondContact O-N 3.47Å; D630-Y633 VanDerWaalsContact OD1-CD2 3.31Å; D630-Y633 WeakPolarHBondContact OD1-CD2 3.38Å; D630-Y633 PolarHBondContact OD1-N 2.04Å; Y633-Y635 VanDerWaalsContact C-N 3.35Å; Y633-Y635 HydrophobicContact CD2-CE1 4.15Å; Y633-Y635 HydrophobicContact CG-CE1 4.24Å; Y633-Y635 PolarHBondContact O-N 3.33Å; Y633-R661 VanDerWaalsContact CD2-NH2 3.25Å; Y633-R661 VanDerWaalsContact CE2-NH2 3.34Å |
| 634 | G | 68.8 | Low | 70.5 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 31% | 0.309 | C | S | . | . | trans | 77.5 | 4.6 | 170.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | R621 D630 | R621-G634 WeakPolarHBondContact CB-O 3.07Å; R621-G634 PolarHBondContact N-O 2.88Å; D630-G634 WeakPolarHBondContact O-CA 3.02Å; D630-G634 PolarHBondContact O-N 2.98Å | ||
| 635 | Y | 72.6 | Confident | 70.6 | Confident | 54 Ų | 54 | 65.2 Ų | 65.2 | 21% | 0.212 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -92.5 | 166.1 | 173.7 | 74.6 | -89.3 | 0 | 0 | 0 | 111.1 | C629 D630 Y633 N659 R661 | C629-Y635 CarbonylContact C-O 3.52Å; C629-Y635 WeakPolarHBondContact CA-O 3.38Å; C629-Y635 WeakPolarHBondContact CB-O 3.33Å; D630-Y635 HydrophobicContact CB-CD1 4.05Å; D630-Y635 HydrophobicContact CB-CE1 3.68Å; D630-Y635 HydrophobicContact CB-CE2 4.35Å; D630-Y635 WeakPolarHBondContact CB-O 3.45Å; D630-Y635 PolarHBondContact N-O 2.76Å; D630-Y635 WeakPolarHBondContact OD2-CE1 3.5Å; D630-Y635 PolarHBondContact OD2-OH 2.87Å; D630-Y635 VanDerWaalsContact OD2-OH 3.07Å; Y633-Y635 VanDerWaalsContact C-N 3.35Å; Y633-Y635 HydrophobicContact CD2-CE1 4.15Å; Y633-Y635 HydrophobicContact CG-CE1 4.24Å; Y633-Y635 PolarHBondContact O-N 3.33Å; Y635-N659 PolarHBondContact OH-ND2 2.96Å; Y635-R661 PolarHBondContact OH-NH1 2.98Å; Y635-R661 PolarHBondContact OH-NH2 3.43Å |
| 636 | C | 70.6 | Confident | 70.8 | Confident | 19 Ų | 19 | 60.7 Ų | 60.7 | 13% | 0.128 | 32% | 0.318 | C | S | . | . | trans | -77.4 | 126 | -176.4 | -55 | 0 | 0 | 0 | 0 | 113 | C624 C638 N659 | C624-C636 WeakPolarHBondContact CA-SG 3.37Å; C624-C636 HydrophobicContact CB-CB 3.8Å; C624-C636 WeakPolarHBondContact CB-SG 3.45Å; C624-C636 WeakPolarHBondContact SG-CA 3.03Å; C624-C636 WeakPolarHBondContact SG-CB 3.41Å; C624-C636 CovalentContact SG-SG 2.04Å; C624-C636 PolarHBondContact SG-SG 2.79Å; C636-C638 PolarHBondContact O-N 3.28Å; C636-N659 PolarHBondContact O-OD1 2.96Å | ||
| 637 | P | 66.7 | Low | 71.5 | Confident | 42 Ų | 42 | 55.8 Ų | 55.8 | 27% | 0.273 | 29% | 0.293 | S | S | . | . | trans | -83.1 | 111.9 | -176.9 | 31.9 | -33.1 | 0 | 0 | 0 | 111.1 | V628 | V628-P637 WeakPolarHBondContact O-CD 3.48Š| ||
| 638 | C | 76 | Confident | 72.3 | Confident | 2 Ų | 2 | 58.5 Ų | 58.5 | 1% | 0.014 | 30% | 0.298 | C | S | . | . | P | Polyproline II helix | trans | -72.6 | 154.7 | 176 | -60.7 | 0 | 0 | 0 | 0 | 113.1 | C636 L642 C647 R658 N659 | C636-C638 PolarHBondContact O-N 3.28Å; C638-L642 HydrophobicContact CB-CB 4.28Å; C638-L642 WeakPolarHBondContact CB-O 3.17Å; C638-C647 WeakPolarHBondContact CA-SG 3.35Å; C638-C647 HydrophobicContact CB-CB 3.59Å; C638-C647 WeakPolarHBondContact CB-SG 3.05Å; C638-C647 WeakPolarHBondContact SG-CA 3.35Å; C638-C647 WeakPolarHBondContact SG-CB 3.29Å; C638-C647 CovalentContact SG-SG 2.03Å; C638-C647 PolarHBondContact SG-SG 2.91Å; C638-R658 WeakPolarHBondContact O-CB 3.26Å; C638-R658 VanDerWaalsContact O-CG 3.32Å; C638-R658 WeakPolarHBondContact O-CG 3.35Å; C638-N659 WeakPolarHBondContact CB-OD1 3.35Å; C638-N659 PolarHBondContact N-OD1 2.73Å |
| 639 | P | 73.9 | Confident | 72.9 | Confident | 68 Ų | 68 | 60.3 Ų | 60.3 | 44% | 0.442 | 30% | 0.302 | S | S | . | . | P | Polyproline II helix | trans | -55.5 | 160.3 | 168.1 | -22.8 | 33.8 | 0 | 0 | 0 | 112.1 | G641 L642 | P639-G641 PolarHBondContact O-N 2.98Å; P639-L642 HydrophobicContact CB-CD1 4.27Å; P639-L642 HydrophobicContact CG-CD1 4.16Å; P639-L642 PolarHBondContact O-N 3.34Å |
| 640 | P | 77 | Confident | 73.4 | Confident | 44 Ų | 44 | 64.3 Ų | 64.3 | 29% | 0.286 | 33% | 0.327 | S | S | . | . | B | Isolated β-bridge | trans | -53 | 137.5 | 168.2 | -22.9 | 34.7 | 0 | 0 | 0 | 110.8 | L642 R658 Q677 | P640-L642 VanDerWaalsContact C-N 3.34Å; P640-R658 HydrophobicContact CG-CG 3.97Å; P640-Q677 HydrophobicContact CB-CB 3.8Å; P640-Q677 HydrophobicContact CB-CG 4.23Å |
| 641 | G | 80.3 | Confident | 74.2 | Confident | 7 Ų | 7 | 64 Ų | 64 | 7% | 0.072 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 85.9 | -5.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | P639 P650 C651 G657 A676 | P639-G641 PolarHBondContact O-N 2.98Å; G641-P650 WeakPolarHBondContact O-CA 3.27Å; G641-C651 VanDerWaalsContact CA-SG 3.5Å; G641-C651 PolarHBondContact O-N 2.88Å; G641-C651 PolarHBondContact O-SG 3.45Å; G641-G657 PolarHBondContact N-O 3.38Å; G641-A676 WeakPolarHBondContact CA-O 3.45Å; G641-A676 PolarHBondContact N-O 2.95Å; G641-A676 VanDerWaalsContact N-O 3.14Å |
| 642 | L | 84.7 | Confident | 74.8 | Confident | 57 Ų | 57 | 63.7 Ų | 63.7 | 30% | 0.298 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 149 | -177.9 | -66.5 | 168.9 | 0 | 0 | 0 | 112.6 | C638 P639 P640 C647 Q649 N659 | C638-L642 HydrophobicContact CB-CB 4.28Å; C638-L642 WeakPolarHBondContact CB-O 3.17Å; P639-L642 HydrophobicContact CB-CD1 4.27Å; P639-L642 HydrophobicContact CG-CD1 4.16Å; P639-L642 PolarHBondContact O-N 3.34Å; P640-L642 VanDerWaalsContact C-N 3.34Å; L642-C647 HydrophobicContact CB-CB 4.45Å; L642-C647 WeakPolarHBondContact CD1-O 3.38Å; L642-Q649 CarbonylContact C-O 3.59Å; L642-Q649 WeakPolarHBondContact CA-O 3.41Å; L642-N659 VanDerWaalsContact O-CA 3.24Å; L642-N659 WeakPolarHBondContact O-CA 3.05Å; L642-N659 PolarHBondContact O-N 3.41Å; L642-N659 VanDerWaalsContact O-N 3.17Å |
| 643 | F | 80.7 | Confident | 75.7 | Confident | 78 Ų | 78 | 65.8 Ų | 65.8 | 34% | 0.342 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | -173.1 | 171.2 | 83.1 | -67.3 | 0 | 0 | 0 | 111.9 | C647 E648 Q649 P650 P652 | F643-C647 CarbonylContact O-C 3.21Å; F643-C647 WeakPolarHBondContact O-CA 3.33Å; F643-E648 PolarHBondContact O-N 3.3Å; F643-Q649 HydrophobicContact CD1-CB 3.75Å; F643-Q649 WeakPolarHBondContact CD1-O 3.03Å; F643-Q649 HydrophobicContact CE1-CB 3.51Å; F643-Q649 HydrophobicContact CG-CB 4.45Å; F643-Q649 HydrophobicContact CZ-CB 4.05Å; F643-Q649 PolarHBondContact N-O 2.04Å; F643-Q649 PolarHBondContact O-N 3.22Å; F643-Q649 VanDerWaalsContact O-N 3.13Å; F643-P650 VanDerWaalsContact CE1-O 3.32Å; F643-P650 WeakPolarHBondContact CE1-O 2.94Å; F643-P652 HydrophobicContact CE1-CG 4.39Å; F643-P652 HydrophobicContact CZ-CG 4.47Å |
| 644 | G | 72.3 | Confident | 76.3 | Confident | 35 Ų | 35 | 60.6 Ų | 60.6 | 36% | 0.361 | 33% | 0.328 | S | S | . | . | S | Bend | trans | 90.7 | 169 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | N646 C647 | G644-N646 PolarHBondContact O-N 3.15Å; G644-N646 VanDerWaalsContact O-N 3.15Å; G644-C647 PolarHBondContact O-N 3.14Å |
| 645 | R | 67.7 | Low | 77 | Confident | 198 Ų | 198 | 62 Ų | 62 | 75% | 0.747 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -30 | -166.4 | -157.6 | -170.8 | 72.1 | -172.1 | 3.2 | 114.3 | M622 | M622-R645 HydrophobicContact CE-CG 4.07Š|
| 646 | N | 66.1 | Low | 77.7 | Confident | 84 Ų | 84 | 62 Ų | 62 | 45% | 0.449 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.9 | 6.3 | 179.3 | -62.7 | 8.8 | 0 | 0 | 0 | 112.1 | G644 E648 | G644-N646 PolarHBondContact O-N 3.15Å; G644-N646 VanDerWaalsContact O-N 3.15Å; N646-E648 VanDerWaalsContact C-N 3.32Å; N646-E648 HydrophobicContact CB-CG 3.8Å; N646-E648 WeakPolarHBondContact CB-OE1 3.49Å; N646-E648 PolarHBondContact ND2-OE1 2.86Å; N646-E648 PolarHBondContact O-N 3.2Å |
| 647 | C | 72.3 | Confident | 77.9 | Confident | 27 Ų | 27 | 61.5 Ų | 61.5 | 18% | 0.182 | 33% | 0.334 | C | S | . | . | S | Bend | trans | 64.1 | 27 | -173.9 | -49.8 | 0 | 0 | 0 | 0 | 115.8 | C638 L642 F643 G644 | C638-C647 WeakPolarHBondContact CA-SG 3.35Å; C638-C647 HydrophobicContact CB-CB 3.59Å; C638-C647 WeakPolarHBondContact CB-SG 3.05Å; C638-C647 WeakPolarHBondContact SG-CA 3.35Å; C638-C647 WeakPolarHBondContact SG-CB 3.29Å; C638-C647 CovalentContact SG-SG 2.03Å; C638-C647 PolarHBondContact SG-SG 2.91Å; L642-C647 HydrophobicContact CB-CB 4.45Å; L642-C647 WeakPolarHBondContact CD1-O 3.38Å; F643-C647 CarbonylContact O-C 3.21Å; F643-C647 WeakPolarHBondContact O-CA 3.33Å; G644-C647 PolarHBondContact O-N 3.14Å |
| 648 | E | 76.8 | Confident | 78.4 | Confident | 131 Ų | 131 | 67 Ų | 67 | 61% | 0.612 | 35% | 0.349 | S | S | * | . | trans | -88.2 | -9 | -177.3 | -66.8 | 154.7 | 177.3 | 0 | 0 | 114 | F643 N646 | F643-E648 PolarHBondContact O-N 3.3Å; N646-E648 VanDerWaalsContact C-N 3.32Å; N646-E648 HydrophobicContact CB-CG 3.8Å; N646-E648 WeakPolarHBondContact CB-OE1 3.49Å; N646-E648 PolarHBondContact ND2-OE1 2.86Å; N646-E648 PolarHBondContact O-N 3.2Å | ||
| 649 | Q | 79.2 | Confident | 78.4 | Confident | 107 Ų | 107 | 68.3 Ų | 68.3 | 50% | 0.5 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 128.7 | -173.4 | -63.5 | -66.9 | -58.2 | 0 | 0 | 111.4 | L642 F643 | L642-Q649 CarbonylContact C-O 3.59Å; L642-Q649 WeakPolarHBondContact CA-O 3.41Å; F643-Q649 HydrophobicContact CD1-CB 3.75Å; F643-Q649 WeakPolarHBondContact CD1-O 3.03Å; F643-Q649 HydrophobicContact CE1-CB 3.51Å; F643-Q649 HydrophobicContact CG-CB 4.45Å; F643-Q649 HydrophobicContact CZ-CB 4.05Å; F643-Q649 PolarHBondContact N-O 2.04Å; F643-Q649 PolarHBondContact O-N 3.22Å; F643-Q649 VanDerWaalsContact O-N 3.13Å |
| 650 | P | 80.7 | Confident | 78.6 | Confident | 89 Ų | 89 | 65.9 Ų | 65.9 | 58% | 0.578 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 151.3 | 175.9 | 31.6 | -35.3 | 0 | 0 | 0 | 111.8 | G641 F643 | G641-P650 WeakPolarHBondContact O-CA 3.27Å; F643-P650 VanDerWaalsContact CE1-O 3.32Å; F643-P650 WeakPolarHBondContact CE1-O 2.94Å |
| 651 | C | 84.8 | Confident | 78.6 | Confident | 19 Ų | 19 | 69.6 Ų | 69.6 | 13% | 0.128 | 35% | 0.349 | C | S | . | . | P | Polyproline II helix | trans | -59.6 | 139.4 | -177.2 | -65.7 | 0 | 0 | 0 | 0 | 114.1 | G641 T655 C660 A676 | G641-C651 VanDerWaalsContact CA-SG 3.5Å; G641-C651 PolarHBondContact O-N 2.88Å; G641-C651 PolarHBondContact O-SG 3.45Å; C651-T655 WeakPolarHBondContact CB-O 3.35Å; C651-C660 WeakPolarHBondContact CA-SG 3.43Å; C651-C660 HydrophobicContact CB-CB 3.75Å; C651-C660 WeakPolarHBondContact CB-SG 3.31Å; C651-C660 VanDerWaalsContact SG-CA 3.55Å; C651-C660 WeakPolarHBondContact SG-CB 3.28Å; C651-C660 CovalentContact SG-SG 2.03Å; C651-C660 PolarHBondContact SG-SG 2.92Å; C651-A676 HydrophobicContact CB-CB 3.91Å |
| 652 | P | 82.4 | Confident | 78.7 | Confident | 71 Ų | 71 | 74.1 Ų | 74.1 | 46% | 0.461 | 37% | 0.368 | S | S | . | . | P | Polyproline II helix | trans | -55 | 143.8 | 166.7 | -25.6 | 34.4 | 0 | 0 | 0 | 112.4 | F643 F654 T655 | F643-P652 HydrophobicContact CE1-CG 4.39Å; F643-P652 HydrophobicContact CZ-CG 4.47Å; P652-F654 PolarHBondContact O-N 3.12Å; P652-T655 WeakPolarHBondContact CD-OG1 3.35Å; P652-T655 PolarHBondContact O-N 3.49Å; P652-T655 PolarHBondContact O-OG1 3.13Å |
| 653 | V | 82.6 | Confident | 78.6 | Confident | 109 Ų | 109 | 78 Ų | 78 | 66% | 0.661 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | 137 | -180 | -163.9 | 0 | 0 | 0 | 0 | 110.7 | T655 | V653-T655 VanDerWaalsContact C-N 3.35Š|
| 654 | F | 86.1 | Confident | 78.8 | Confident | 32 Ų | 32 | 75 Ų | 75 | 14% | 0.14 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 71.1 | 13.4 | -168.9 | -64.8 | -92.8 | 0 | 0 | 0 | 116.1 | P652 L663 C664 C666 R668 A671 I672 C674 | P652-F654 PolarHBondContact O-N 3.12Å; F654-L663 WeakPolarHBondContact O-CA 3.43Å; F654-C664 PolarHBondContact O-N 3.47Å; F654-C666 HydrophobicContact CD1-CB 4.5Å; F654-C666 HydrophobicContact CE1-CB 4.13Å; F654-R668 HydrophobicContact CD1-CG 4.25Å; F654-R668 HydrophobicContact CE1-CB 4.31Å; F654-R668 HydrophobicContact CE1-CG 3.85Å; F654-R668 HydrophobicContact CZ-CB 4.37Å; F654-R668 HydrophobicContact CZ-CG 4.31Å; F654-A671 HydrophobicContact CE1-CB 4.12Å; F654-A671 HydrophobicContact CZ-CB 4.28Å; F654-I672 WeakPolarHBondContact CE2-O 3.4Å; F654-C674 VanDerWaalsContact CA-SG 3.58Å |
| 655 | T | 83.2 | Confident | 79.2 | Confident | 29 Ų | 29 | 80.6 Ų | 80.6 | 18% | 0.178 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 149.9 | 168.2 | 68.1 | 0 | 0 | 0 | 0 | 112.6 | C651 P652 V653 H662 | C651-T655 WeakPolarHBondContact CB-O 3.35Å; P652-T655 WeakPolarHBondContact CD-OG1 3.35Å; P652-T655 PolarHBondContact O-N 3.49Å; P652-T655 PolarHBondContact O-OG1 3.13Å; V653-T655 VanDerWaalsContact C-N 3.35Å; T655-H662 CarbonylContact C-O 3.54Å; T655-H662 VanDerWaalsContact CA-O 3.26Å; T655-H662 WeakPolarHBondContact CA-O 3.44Å |
| 656 | Y | 87 | Confident | 79.9 | Confident | 55 Ų | 55 | 71.7 Ų | 71.7 | 22% | 0.216 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 173 | -174.3 | 80.6 | -80.5 | 0 | 0 | 0 | 114.6 | C660 R661 H662 C664 A676 T678 | Y656-C660 CarbonylContact O-C 3.54Å; Y656-C660 VanDerWaalsContact O-C 3.27Å; Y656-C660 WeakPolarHBondContact O-CA 3.49Å; Y656-R661 PolarHBondContact O-N 2.82Å; Y656-H662 HydrophobicContact CD1-CB 3.61Å; Y656-H662 VanDerWaalsContact CD1-O 3.31Å; Y656-H662 WeakPolarHBondContact CD1-O 3.49Å; Y656-H662 HydrophobicContact CD2-CB 4.45Å; Y656-H662 HydrophobicContact CE1-CB 3.34Å; Y656-H662 HydrophobicContact CE2-CB 4.23Å; Y656-H662 HydrophobicContact CG-CB 4.2Å; Y656-H662 PolarHBondContact N-O 2.78Å; Y656-H662 PolarHBondContact O-N 3.36Å; Y656-H662 VanDerWaalsContact O-N 3.11Å; Y656-C664 HydrophobicContact CD1-CB 4.39Å; Y656-C664 WeakPolarHBondContact CD1-SG 3.27Å; Y656-A676 CarbonylContact C-O 3.32Å; Y656-A676 WeakPolarHBondContact CA-O 3.43Å; Y656-A676 WeakPolarHBondContact CB-O 3.39Å; Y656-T678 VanDerWaalsContact CE2-O 3.26Å; Y656-T678 WeakPolarHBondContact CE2-O 2.93Å |
| 657 | G | 76.4 | Confident | 80.6 | Confident | 7 Ų | 7 | 72.3 Ų | 72.3 | 7% | 0.072 | 36% | 0.356 | C | S | . | . | S | Bend | trans | 85.4 | -171.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | G641 N659 C660 A676 | G641-G657 PolarHBondContact N-O 3.38Å; G657-N659 PolarHBondContact O-N 3.34Å; G657-C660 PolarHBondContact O-N 2.79Å; G657-A676 PolarHBondContact N-O 2.84Å |
| 658 | R | 76 | Confident | 80.9 | Confident | 157 Ų | 157 | 79.7 Ų | 79.7 | 59% | 0.592 | 38% | 0.38 | S | S | * | . | B | Isolated β-bridge | trans | -64.9 | 123.1 | -178.4 | -69.6 | -166.9 | 179.2 | -171.1 | -0.9 | 110.7 | C638 P640 C660 | C638-R658 WeakPolarHBondContact O-CB 3.26Å; C638-R658 VanDerWaalsContact O-CG 3.32Å; C638-R658 WeakPolarHBondContact O-CG 3.35Å; P640-R658 HydrophobicContact CG-CG 3.97Å; R658-C660 PolarHBondContact O-N 3.22Å |
| 659 | N | 76 | Confident | 80.9 | Confident | 31 Ų | 31 | 79.1 Ų | 79.1 | 17% | 0.166 | 38% | 0.377 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 60.1 | 23.2 | -173.1 | -34.5 | -83.8 | 0 | 0 | 0 | 113.4 | Y635 C636 C638 L642 G657 R661 | Y635-N659 PolarHBondContact OH-ND2 2.96Å; C636-N659 PolarHBondContact O-OD1 2.96Å; C638-N659 WeakPolarHBondContact CB-OD1 3.35Å; C638-N659 PolarHBondContact N-OD1 2.73Å; L642-N659 VanDerWaalsContact O-CA 3.24Å; L642-N659 WeakPolarHBondContact O-CA 3.05Å; L642-N659 PolarHBondContact O-N 3.41Å; L642-N659 VanDerWaalsContact O-N 3.17Å; G657-N659 PolarHBondContact O-N 3.34Å; N659-R661 PolarHBondContact O-N 3.04Å; N659-R661 VanDerWaalsContact O-N 3.13Å |
| 660 | C | 78.4 | Confident | 81.2 | Confident | 16 Ų | 16 | 75.2 Ų | 75.2 | 11% | 0.108 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56.9 | 29.4 | 176.9 | -44.2 | 0 | 0 | 0 | 0 | 114.4 | C651 Y656 G657 R658 H662 | C651-C660 WeakPolarHBondContact CA-SG 3.43Å; C651-C660 HydrophobicContact CB-CB 3.75Å; C651-C660 WeakPolarHBondContact CB-SG 3.31Å; C651-C660 VanDerWaalsContact SG-CA 3.55Å; C651-C660 WeakPolarHBondContact SG-CB 3.28Å; C651-C660 CovalentContact SG-SG 2.03Å; C651-C660 PolarHBondContact SG-SG 2.92Å; Y656-C660 CarbonylContact O-C 3.54Å; Y656-C660 VanDerWaalsContact O-C 3.27Å; Y656-C660 WeakPolarHBondContact O-CA 3.49Å; G657-C660 PolarHBondContact O-N 2.79Å; R658-C660 PolarHBondContact O-N 3.22Å; C660-H662 VanDerWaalsContact C-N 3.27Å; C660-H662 PolarHBondContact O-N 2.04Å |
| 661 | R | 77.6 | Confident | 81.3 | Confident | 123 Ų | 123 | 71.1 Ų | 71.1 | 46% | 0.464 | 33% | 0.333 | S | S | . | . | trans | -68.4 | -14.5 | -171.6 | -91.7 | -178.8 | 159.2 | 171 | -4.6 | 115.2 | D630 Y633 Y635 Y656 N659 | D630-R661 IonicContact OD2-CZ 3.79Å; D630-R661 IonicContact OD2-NH1 3.33Å; D630-R661 PolarHBondContact OD2-NH1 3.06Å; D630-R661 VanDerWaalsContact OD2-NH1 3.12Å; Y633-R661 VanDerWaalsContact CD2-NH2 3.25Å; Y633-R661 VanDerWaalsContact CE2-NH2 3.34Å; Y635-R661 PolarHBondContact OH-NH1 2.98Å; Y635-R661 PolarHBondContact OH-NH2 3.43Å; Y656-R661 PolarHBondContact O-N 2.82Å; N659-R661 PolarHBondContact O-N 3.04Å; N659-R661 VanDerWaalsContact O-N 3.13Å | ||
| 662 | H | 81 | Confident | 81.4 | Confident | 101 Ų | 101 | 75.6 Ų | 75.6 | 47% | 0.468 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 135.7 | -174 | -55.6 | -77.1 | 0 | 0 | 0 | 111.5 | T655 Y656 C660 | T655-H662 CarbonylContact C-O 3.54Å; T655-H662 VanDerWaalsContact CA-O 3.26Å; T655-H662 WeakPolarHBondContact CA-O 3.44Å; Y656-H662 HydrophobicContact CD1-CB 3.61Å; Y656-H662 VanDerWaalsContact CD1-O 3.31Å; Y656-H662 WeakPolarHBondContact CD1-O 3.49Å; Y656-H662 HydrophobicContact CD2-CB 4.45Å; Y656-H662 HydrophobicContact CE1-CB 3.34Å; Y656-H662 HydrophobicContact CE2-CB 4.23Å; Y656-H662 HydrophobicContact CG-CB 4.2Å; Y656-H662 PolarHBondContact N-O 2.78Å; Y656-H662 PolarHBondContact O-N 3.36Å; Y656-H662 VanDerWaalsContact O-N 3.11Å; C660-H662 VanDerWaalsContact C-N 3.27Å; C660-H662 PolarHBondContact O-N 2.04Å |
| 663 | L | 83.8 | Confident | 81.6 | Confident | 140 Ų | 140 | 72.4 Ų | 72.4 | 73% | 0.733 | 33% | 0.334 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 138.1 | 168.2 | -85.5 | 73.5 | 0 | 0 | 0 | 110 | F654 | F654-L663 WeakPolarHBondContact O-CA 3.43Å |
| 664 | C | 83.5 | Confident | 81.8 | Confident | 13 Ų | 13 | 68 Ų | 68 | 9% | 0.088 | 31% | 0.308 | C | S | . | . | trans | -74.1 | 129.4 | -179.3 | -62.8 | 0 | 0 | 0 | 0 | 112 | F654 Y656 C666 C674 | F654-C664 PolarHBondContact O-N 3.47Å; Y656-C664 HydrophobicContact CD1-CB 4.39Å; Y656-C664 WeakPolarHBondContact CD1-SG 3.27Å; C664-C666 PolarHBondContact O-N 2.84Å; C664-C674 HydrophobicContact CB-CB 3.53Å; C664-C674 WeakPolarHBondContact CB-SG 3.26Å; C664-C674 WeakPolarHBondContact SG-CB 3.46Å; C664-C674 CovalentContact SG-SG 2.01Å; C664-C674 PolarHBondContact SG-SG 3.12Å | ||
| 665 | K | 80.8 | Confident | 81.8 | Confident | 154 Ų | 154 | 68.7 Ų | 68.7 | 67% | 0.67 | 31% | 0.314 | S | S | * | . | trans | -78.3 | 34.2 | -174.4 | -62.9 | -176 | 178.3 | 179.6 | 0 | 113.9 | Y691 | K665-Y691 HydrophobicContact CB-CD1 3.97Å; K665-Y691 HydrophobicContact CB-CE1 3.89Å; K665-Y691 WeakPolarHBondContact O-CD1 3.44Å | ||
| 666 | C | 84.2 | Confident | 81.8 | Confident | 11 Ų | 11 | 68.7 Ų | 68.7 | 7% | 0.074 | 32% | 0.316 | C | S | . | . | trans | -90.8 | 143.4 | -173.4 | -44.7 | 0 | 0 | 0 | 0 | 112 | F654 C664 R668 A671 C681 | F654-C666 HydrophobicContact CD1-CB 4.5Å; F654-C666 HydrophobicContact CE1-CB 4.13Å; C664-C666 PolarHBondContact O-N 2.84Å; C666-R668 PolarHBondContact O-N 2.04Å; C666-R668 VanDerWaalsContact O-N 3.15Å; C666-A671 HydrophobicContact CB-CB 3.6Å; C666-C681 WeakPolarHBondContact CA-SG 3.31Å; C666-C681 HydrophobicContact CB-CB 3.83Å; C666-C681 WeakPolarHBondContact CB-SG 3.43Å; C666-C681 VanDerWaalsContact SG-CA 3.59Å; C666-C681 WeakPolarHBondContact SG-CB 3.43Å; C666-C681 CovalentContact SG-SG 2.03Å; C666-C681 PolarHBondContact SG-SG 2.9Å | ||
| 667 | Y | 79.4 | Confident | 81.6 | Confident | 97 Ų | 97 | 71.7 Ų | 71.7 | 38% | 0.38 | 33% | 0.332 | S | S | . | . | trans | -63.2 | 112.8 | 165.1 | -92.2 | -100.2 | 0 | 0 | 0 | 109.4 | E669 N670 A671 Y691 K693 | Y667-E669 VanDerWaalsContact C-N 3.27Å; Y667-E669 WeakPolarHBondContact CD1-OE1 3.33Å; Y667-E669 PolarHBondContact O-N 3.1Å; Y667-N670 PolarHBondContact O-N 2.62Å; Y667-A671 WeakPolarHBondContact O-CB 3.49Å; Y667-A671 PolarHBondContact O-N 3.37Å; Y667-Y691 PolarHBondContact N-O 3.39Å; Y667-K693 HydrophobicContact CD2-CB 4.36Å; Y667-K693 HydrophobicContact CD2-CD 4.43Å; Y667-K693 HydrophobicContact CE2-CB 4.5Å; Y667-K693 HydrophobicContact CE2-CD 3.75Å; Y667-K693 HydrophobicContact CE2-CG 4.27Å; Y667-K693 PolarHBondContact OH-NZ 3.21Å | ||
| 668 | R | 79.2 | Confident | 81.9 | Confident | 181 Ų | 181 | 75.7 Ų | 75.7 | 68% | 0.683 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -23.6 | -168.3 | -61.9 | -173.9 | 72.1 | -169.8 | 1.9 | 113.2 | F654 C666 | F654-R668 HydrophobicContact CD1-CG 4.25Å; F654-R668 HydrophobicContact CE1-CB 4.31Å; F654-R668 HydrophobicContact CE1-CG 3.85Å; F654-R668 HydrophobicContact CZ-CB 4.37Å; F654-R668 HydrophobicContact CZ-CG 4.31Å; C666-R668 PolarHBondContact O-N 2.04Å; C666-R668 VanDerWaalsContact O-N 3.15Å |
| 669 | E | 77.7 | Confident | 82.3 | Confident | 119 Ų | 119 | 68.8 Ų | 68.8 | 56% | 0.556 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -30.7 | 171.2 | 61.3 | -90.3 | -125.5 | 0 | 0 | 112.6 | Y667 K684 | Y667-E669 VanDerWaalsContact C-N 3.27Å; Y667-E669 WeakPolarHBondContact CD1-OE1 3.33Å; Y667-E669 PolarHBondContact O-N 3.1Å; E669-K684 WeakPolarHBondContact O-CD 3.46Å; E669-K684 WeakPolarHBondContact O-CE 3.1Å; E669-K684 PolarHBondContact O-NZ 2.91Å |
| 670 | N | 83.9 | Confident | 82.5 | Confident | 26 Ų | 26 | 70.6 Ų | 70.6 | 14% | 0.139 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.5 | -17 | -173.8 | -65.9 | -10.9 | 0 | 0 | 0 | 114.1 | Y667 K684 Y687 C692 | Y667-N670 PolarHBondContact O-N 2.62Å; N670-K684 WeakPolarHBondContact O-CB 3.4Å; N670-K684 WeakPolarHBondContact O-CG 3Å; N670-K684 PolarHBondContact O-N 2.66Å; N670-Y687 HydrophobicContact CB-CD1 4.31Å; N670-Y687 HydrophobicContact CB-CG 4.29Å; N670-C692 HydrophobicContact CB-CB 3.95Å; N670-C692 WeakPolarHBondContact CB-O 3.46Å; N670-C692 PolarHBondContact ND2-O 2.92Å |
| 671 | A | 83.8 | Confident | 82.9 | Confident | 2 Ų | 2 | 70 Ų | 70 | 2% | 0.017 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 146.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | F654 C666 Y667 H682 K684 C692 | F654-A671 HydrophobicContact CE1-CB 4.12Å; F654-A671 HydrophobicContact CZ-CB 4.28Å; C666-A671 HydrophobicContact CB-CB 3.6Å; Y667-A671 WeakPolarHBondContact O-CB 3.49Å; Y667-A671 PolarHBondContact O-N 3.37Å; A671-H682 CarbonylContact C-O 3.55Å; A671-H682 WeakPolarHBondContact CA-O 3.5Å; A671-K684 VanDerWaalsContact O-CE 3.26Å; A671-K684 WeakPolarHBondContact O-CE 3.02Å; A671-C692 HydrophobicContact CB-CB 4.31Å |
| 672 | I | 86.9 | Confident | 83.2 | Confident | 114 Ų | 114 | 68.6 Ų | 68.6 | 59% | 0.585 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.1 | -35.6 | 167.3 | -56.3 | 174.5 | 0 | 0 | 0 | 109.2 | F654 H682 K684 | F654-I672 WeakPolarHBondContact CE2-O 3.4Å; I672-H682 PolarHBondContact N-O 3.46Å; I672-K684 HydrophobicContact CD1-CG 4.42Å; I672-K684 HydrophobicContact CG1-CG 3.64Å |
| 673 | G | 85.4 | Confident | 83.4 | Confident | 3 Ų | 3 | 63.9 Ų | 63.9 | 3% | 0.031 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 173.8 | -144 | -178.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | H682 | G673-H682 PolarHBondContact O-N 3.4Å |
| 674 | C | 87.6 | Confident | 83.4 | Confident | 16 Ų | 16 | 61.4 Ų | 61.4 | 11% | 0.108 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 159.1 | 179.4 | 49.5 | 0 | 0 | 0 | 0 | 109.8 | F654 C664 A676 S680 | F654-C674 VanDerWaalsContact CA-SG 3.58Å; C664-C674 HydrophobicContact CB-CB 3.53Å; C664-C674 WeakPolarHBondContact CB-SG 3.26Å; C664-C674 WeakPolarHBondContact SG-CB 3.46Å; C664-C674 CovalentContact SG-SG 2.01Å; C664-C674 PolarHBondContact SG-SG 3.12Å; C674-A676 PolarHBondContact O-N 3.22Å; C674-S680 CarbonylContact C-O 3.49Å; C674-S680 WeakPolarHBondContact CA-O 3.06Å; C674-S680 WeakPolarHBondContact CB-O 3.5Å |
| 675 | D | 85.4 | Confident | 83.5 | Confident | 48 Ų | 48 | 63.4 Ų | 63.4 | 26% | 0.257 | 32% | 0.319 | S | S | . | . | trans | -64 | 129.8 | 169.9 | 167.4 | -114.9 | 0 | 0 | 0 | 110 | Q677 T678 G679 S680 H682 | D675-Q677 PolarHBondContact O-N 3.07Å; D675-Q677 PolarHBondContact OD1-N 2.03Å; D675-T678 VanDerWaalsContact OD1-CB 3.29Å; D675-T678 WeakPolarHBondContact OD1-CB 3.48Å; D675-T678 WeakPolarHBondContact OD1-CG2 3.47Å; D675-T678 PolarHBondContact OD1-N 3.29Å; D675-T678 PolarHBondContact OD1-OG1 2.8Å; D675-G679 VanDerWaalsContact O-CA 3.29Å; D675-G679 WeakPolarHBondContact O-CA 3.06Å; D675-G679 PolarHBondContact O-N 2.87Å; D675-S680 PolarHBondContact N-O 3.07Å; D675-H682 WeakPolarHBondContact CA-NE2 3.02Å; D675-H682 PolarHBondContact N-NE2 3.32Å | ||
| 676 | A | 83.8 | Confident | 83.6 | Confident | 28 Ų | 28 | 56.2 Ų | 56.2 | 23% | 0.231 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -22.2 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | G641 C651 Y656 G657 C674 | G641-A676 WeakPolarHBondContact CA-O 3.45Å; G641-A676 PolarHBondContact N-O 2.95Å; G641-A676 VanDerWaalsContact N-O 3.14Å; C651-A676 HydrophobicContact CB-CB 3.91Å; Y656-A676 CarbonylContact C-O 3.32Å; Y656-A676 WeakPolarHBondContact CA-O 3.43Å; Y656-A676 WeakPolarHBondContact CB-O 3.39Å; G657-A676 PolarHBondContact N-O 2.84Å; C674-A676 PolarHBondContact O-N 3.22Å |
| 677 | Q | 82.2 | Confident | 83.7 | Confident | 118 Ų | 118 | 58.9 Ų | 58.9 | 55% | 0.551 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | -52.3 | -178.5 | -53.7 | -159.7 | 15.9 | 0 | 0 | 112.2 | P640 D675 | P640-Q677 HydrophobicContact CB-CB 3.8Å; P640-Q677 HydrophobicContact CB-CG 4.23Å; D675-Q677 PolarHBondContact O-N 3.07Å; D675-Q677 PolarHBondContact OD1-N 2.03Å |
| 678 | T | 84.1 | Confident | 84 | Confident | 92 Ų | 92 | 57.1 Ų | 57.1 | 56% | 0.564 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.6 | -22.5 | -170.3 | 64.3 | 0 | 0 | 0 | 0 | 114.1 | Y656 D675 S680 | Y656-T678 VanDerWaalsContact CE2-O 3.26Å; Y656-T678 WeakPolarHBondContact CE2-O 2.93Å; D675-T678 VanDerWaalsContact OD1-CB 3.29Å; D675-T678 WeakPolarHBondContact OD1-CB 3.48Å; D675-T678 WeakPolarHBondContact OD1-CG2 3.47Å; D675-T678 PolarHBondContact OD1-N 3.29Å; D675-T678 PolarHBondContact OD1-OG1 2.8Å; T678-S680 VanDerWaalsContact C-N 3.26Å; T678-S680 WeakPolarHBondContact OG1-CB 3.42Å; T678-S680 PolarHBondContact OG1-N 2.92Å |
| 679 | G | 82.7 | Confident | 83.9 | Confident | 11 Ų | 11 | 50 Ų | 50 | 11% | 0.113 | 27% | 0.273 | C | S | . | . | trans | 78.1 | 6 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | D675 C681 | D675-G679 VanDerWaalsContact O-CA 3.29Å; D675-G679 WeakPolarHBondContact O-CA 3.06Å; D675-G679 PolarHBondContact O-N 2.87Å; G679-C681 PolarHBondContact O-N 2.89Å | ||
| 680 | S | 80.9 | Confident | 83.8 | Confident | 70 Ų | 70 | 51.1 Ų | 51.1 | 49% | 0.49 | 28% | 0.278 | S | S | . | . | trans | -60.7 | 130.5 | 176.5 | -171.4 | 0 | 0 | 0 | 0 | 110.9 | C674 D675 T678 | C674-S680 CarbonylContact C-O 3.49Å; C674-S680 WeakPolarHBondContact CA-O 3.06Å; C674-S680 WeakPolarHBondContact CB-O 3.5Å; D675-S680 PolarHBondContact N-O 3.07Å; T678-S680 VanDerWaalsContact C-N 3.26Å; T678-S680 WeakPolarHBondContact OG1-CB 3.42Å; T678-S680 PolarHBondContact OG1-N 2.92Å | ||
| 681 | C | 86.4 | Confident | 83.8 | Confident | 4 Ų | 4 | 54.7 Ų | 54.7 | 3% | 0.027 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 129.4 | -171.2 | -61.6 | 0 | 0 | 0 | 0 | 112.8 | C666 G679 C683 Q690 C692 | C666-C681 WeakPolarHBondContact CA-SG 3.31Å; C666-C681 HydrophobicContact CB-CB 3.83Å; C666-C681 WeakPolarHBondContact CB-SG 3.43Å; C666-C681 VanDerWaalsContact SG-CA 3.59Å; C666-C681 WeakPolarHBondContact SG-CB 3.43Å; C666-C681 CovalentContact SG-SG 2.03Å; C666-C681 PolarHBondContact SG-SG 2.9Å; G679-C681 PolarHBondContact O-N 2.89Å; C681-C683 PolarHBondContact O-N 2.88Å; C681-Q690 PolarHBondContact SG-O 2.99Å; C681-C692 WeakPolarHBondContact CB-SG 3.39Å |
| 682 | H | 84 | Confident | 83.9 | Confident | 93 Ų | 93 | 54.6 Ų | 54.6 | 43% | 0.431 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 96.9 | 172.3 | -64.4 | -48.8 | 0 | 0 | 0 | 109.4 | A671 I672 G673 D675 | A671-H682 CarbonylContact C-O 3.55Å; A671-H682 WeakPolarHBondContact CA-O 3.5Å; I672-H682 PolarHBondContact N-O 3.46Å; G673-H682 PolarHBondContact O-N 3.4Å; D675-H682 WeakPolarHBondContact CA-NE2 3.02Å; D675-H682 PolarHBondContact N-NE2 3.32Å |
| 683 | C | 86.6 | Confident | 83.5 | Confident | 2 Ų | 2 | 55.5 Ų | 55.5 | 1% | 0.014 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 141.7 | -176.4 | -53 | 0 | 0 | 0 | 0 | 112.8 | C681 Y687 C692 S703 N704 | C681-C683 PolarHBondContact O-N 2.88Å; C683-Y687 VanDerWaalsContact CB-O 3.24Å; C683-Y687 WeakPolarHBondContact CB-O 3.38Å; C683-C692 WeakPolarHBondContact CA-SG 3.32Å; C683-C692 HydrophobicContact CB-CB 3.78Å; C683-C692 WeakPolarHBondContact CB-SG 3.24Å; C683-C692 WeakPolarHBondContact SG-CA 3.45Å; C683-C692 WeakPolarHBondContact SG-CB 3.34Å; C683-C692 CovalentContact SG-SG 2.03Å; C683-C692 PolarHBondContact SG-SG 2.03Å; C683-S703 VanDerWaalsContact O-CB 3.25Å; C683-S703 WeakPolarHBondContact O-CB 3.41Å; C683-N704 WeakPolarHBondContact CB-OD1 3.5Å; C683-N704 PolarHBondContact SG-OD1 2.85Å |
| 684 | K | 83 | Confident | 83.3 | Confident | 87 Ų | 87 | 60 Ų | 60 | 38% | 0.378 | 31% | 0.31 | S | S | . | . | P | Polyproline II helix | trans | -63.8 | 153.6 | 170 | -65.8 | 172.7 | -172.7 | 172.8 | 0 | 109.9 | E669 N670 A671 I672 G686 Y687 | E669-K684 WeakPolarHBondContact O-CD 3.46Å; E669-K684 WeakPolarHBondContact O-CE 3.1Å; E669-K684 PolarHBondContact O-NZ 2.91Å; N670-K684 WeakPolarHBondContact O-CB 3.4Å; N670-K684 WeakPolarHBondContact O-CG 3Å; N670-K684 PolarHBondContact O-N 2.66Å; A671-K684 VanDerWaalsContact O-CE 3.26Å; A671-K684 WeakPolarHBondContact O-CE 3.02Å; I672-K684 HydrophobicContact CD1-CG 4.42Å; I672-K684 HydrophobicContact CG1-CG 3.64Å; K684-G686 PolarHBondContact O-N 2.84Å; K684-Y687 PolarHBondContact O-N 3.41Å; K684-Y687 VanDerWaalsContact O-N 3.07Å |
| 685 | S | 86.4 | Confident | 82.9 | Confident | 56 Ų | 56 | 67.2 Ų | 67.2 | 39% | 0.392 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54 | 135.3 | -177.7 | -58.1 | 0 | 0 | 0 | 0 | 112.7 | G702 | S685-G702 WeakPolarHBondContact CA-O 3.46Š|
| 686 | G | 81.6 | Confident | 82.7 | Confident | 2 Ų | 2 | 65.7 Ų | 65.7 | 2% | 0.021 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 88.3 | -1 | -173.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | K684 R695 C696 G702 P719 | K684-G686 PolarHBondContact O-N 2.84Å; G686-R695 CarbonylContact O-C 3.52Å; G686-R695 VanDerWaalsContact O-CA 3.26Å; G686-R695 WeakPolarHBondContact O-CA 3.5Å; G686-C696 VanDerWaalsContact CA-SG 3.6Å; G686-C696 PolarHBondContact O-N 2.71Å; G686-G702 PolarHBondContact N-O 3.36Å; G686-P719 VanDerWaalsContact CA-O 3.24Å; G686-P719 WeakPolarHBondContact CA-O 3.4Å; G686-P719 PolarHBondContact N-O 2.86Å |
| 687 | Y | 86.7 | Confident | 82.2 | Confident | 68 Ų | 68 | 70.3 Ų | 70.3 | 27% | 0.267 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 149.6 | 177.1 | -63 | -89.4 | 0 | 0 | 0 | 113.3 | N670 C683 K684 M694 R695 N704 | N670-Y687 HydrophobicContact CB-CD1 4.31Å; N670-Y687 HydrophobicContact CB-CG 4.29Å; C683-Y687 VanDerWaalsContact CB-O 3.24Å; C683-Y687 WeakPolarHBondContact CB-O 3.38Å; K684-Y687 PolarHBondContact O-N 3.41Å; K684-Y687 VanDerWaalsContact O-N 3.07Å; Y687-M694 CarbonylContact C-O 3.55Å; Y687-M694 WeakPolarHBondContact CA-O 2.99Å; Y687-R695 HydrophobicContact CD1-CG 3.91Å; Y687-R695 HydrophobicContact CE1-CG 3.54Å; Y687-N704 VanDerWaalsContact O-CA 3.31Å; Y687-N704 WeakPolarHBondContact O-CA 3.27Å; Y687-N704 PolarHBondContact O-N 2.8Å |
| 688 | Y | 85.3 | Confident | 81.8 | Confident | 60 Ų | 60 | 69.9 Ų | 69.9 | 24% | 0.235 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | -175.4 | 176.5 | 78.3 | -71.8 | 0 | 0 | 0 | 113.5 | K693 M694 R695 Q697 C705 | Y688-K693 PolarHBondContact O-N 3.26Å; Y688-M694 HydrophobicContact CD1-CB 3.64Å; Y688-M694 HydrophobicContact CE1-CB 3.37Å; Y688-M694 HydrophobicContact CE1-CG 4.43Å; Y688-M694 HydrophobicContact CE2-CB 4.3Å; Y688-M694 HydrophobicContact CG-CB 4.22Å; Y688-M694 PolarHBondContact N-O 3.08Å; Y688-M694 PolarHBondContact O-N 3.16Å; Y688-M694 VanDerWaalsContact O-N 3.15Å; Y688-R695 VanDerWaalsContact CE1-O 3.31Å; Y688-R695 WeakPolarHBondContact CE1-O 3.05Å; Y688-Q697 PolarHBondContact OH-NE2 3.37Å; Y688-C705 VanDerWaalsContact CB-SG 3.55Å; Y688-C705 WeakPolarHBondContact CD1-SG 3.31Å |
| 689 | G | 76.7 | Confident | 81.4 | Confident | 31 Ų | 31 | 66.5 Ų | 66.5 | 32% | 0.32 | 34% | 0.338 | S | S | . | . | S | Bend | trans | 88.4 | 160.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112 | Y691 C692 | G689-Y691 PolarHBondContact O-N 3.46Å; G689-C692 PolarHBondContact O-N 3.15Å |
| 690 | Q | 75.5 | Confident | 81.4 | Confident | 142 Ų | 142 | 69.8 Ų | 69.8 | 66% | 0.664 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.9 | -27.9 | -169.1 | -167.2 | 179.6 | 23.4 | 0 | 0 | 115.6 | C681 | C681-Q690 PolarHBondContact SG-O 2.99Š|
| 691 | Y | 84.1 | Confident | 81.5 | Confident | 102 Ų | 102 | 69.6 Ų | 69.6 | 40% | 0.4 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120 | 11.4 | -177.5 | -49 | -56.3 | 0 | 0 | 0 | 114.2 | K665 Y667 G689 K693 | K665-Y691 HydrophobicContact CB-CD1 3.97Å; K665-Y691 HydrophobicContact CB-CE1 3.89Å; K665-Y691 WeakPolarHBondContact O-CD1 3.44Å; Y667-Y691 PolarHBondContact N-O 3.39Å; G689-Y691 PolarHBondContact O-N 3.46Å; Y691-K693 PolarHBondContact O-N 3.06Å |
| 692 | C | 86.7 | Confident | 81.4 | Confident | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 34% | 0.34 | C | S | . | . | S | Bend | trans | 57.3 | 37.7 | -173.3 | -54.4 | 0 | 0 | 0 | 0 | 115.2 | N670 A671 C681 C683 G689 | N670-C692 HydrophobicContact CB-CB 3.95Å; N670-C692 WeakPolarHBondContact CB-O 3.46Å; N670-C692 PolarHBondContact ND2-O 2.92Å; A671-C692 HydrophobicContact CB-CB 4.31Å; C681-C692 WeakPolarHBondContact CB-SG 3.39Å; C683-C692 WeakPolarHBondContact CA-SG 3.32Å; C683-C692 HydrophobicContact CB-CB 3.78Å; C683-C692 WeakPolarHBondContact CB-SG 3.24Å; C683-C692 WeakPolarHBondContact SG-CA 3.45Å; C683-C692 WeakPolarHBondContact SG-CB 3.34Å; C683-C692 CovalentContact SG-SG 2.03Å; C683-C692 PolarHBondContact SG-SG 2.03Å; G689-C692 PolarHBondContact O-N 3.15Å |
| 693 | K | 78 | Confident | 81.1 | Confident | 132 Ų | 132 | 67.3 Ų | 67.3 | 57% | 0.574 | 33% | 0.334 | S | S | * | . | trans | -96.6 | -22.8 | -177.3 | -167.2 | 169.6 | -176.2 | 164.4 | 0 | 114 | Y667 Y688 Y691 | Y667-K693 HydrophobicContact CD2-CB 4.36Å; Y667-K693 HydrophobicContact CD2-CD 4.43Å; Y667-K693 HydrophobicContact CE2-CB 4.5Å; Y667-K693 HydrophobicContact CE2-CD 3.75Å; Y667-K693 HydrophobicContact CE2-CG 4.27Å; Y667-K693 PolarHBondContact OH-NZ 3.21Å; Y688-K693 PolarHBondContact O-N 3.26Å; Y691-K693 PolarHBondContact O-N 3.06Å | ||
| 694 | M | 80.8 | Confident | 80.7 | Confident | 98 Ų | 98 | 70.3 Ų | 70.3 | 48% | 0.483 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 140.5 | -175.5 | -58 | -63.8 | -79.2 | 0 | 0 | 110.5 | Y687 Y688 | Y687-M694 CarbonylContact C-O 3.55Å; Y687-M694 WeakPolarHBondContact CA-O 2.99Å; Y688-M694 HydrophobicContact CD1-CB 3.64Å; Y688-M694 HydrophobicContact CE1-CB 3.37Å; Y688-M694 HydrophobicContact CE1-CG 4.43Å; Y688-M694 HydrophobicContact CE2-CB 4.3Å; Y688-M694 HydrophobicContact CG-CB 4.22Å; Y688-M694 PolarHBondContact N-O 3.08Å; Y688-M694 PolarHBondContact O-N 3.16Å; Y688-M694 VanDerWaalsContact O-N 3.15Å |
| 695 | R | 79.8 | Confident | 80.6 | Confident | 168 Ų | 168 | 66.8 Ų | 66.8 | 63% | 0.634 | 34% | 0.336 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 141.9 | 168.3 | -73.9 | -178.8 | 64 | -145.2 | -2 | 110.5 | G686 Y687 Y688 | G686-R695 CarbonylContact O-C 3.52Å; G686-R695 VanDerWaalsContact O-CA 3.26Å; G686-R695 WeakPolarHBondContact O-CA 3.5Å; Y687-R695 HydrophobicContact CD1-CG 3.91Å; Y687-R695 HydrophobicContact CE1-CG 3.54Å; Y688-R695 VanDerWaalsContact CE1-O 3.31Å; Y688-R695 WeakPolarHBondContact CE1-O 3.05Å |
| 696 | C | 82 | Confident | 80.2 | Confident | 15 Ų | 15 | 70.6 Ų | 70.6 | 10% | 0.101 | 35% | 0.348 | C | S | . | . | P | Polyproline II helix | trans | -50.4 | 139.8 | -176.1 | -62 | 0 | 0 | 0 | 0 | 113.5 | G686 F700 C705 P719 | G686-C696 VanDerWaalsContact CA-SG 3.6Å; G686-C696 PolarHBondContact O-N 2.71Å; C696-F700 WeakPolarHBondContact CB-O 3.23Å; C696-C705 WeakPolarHBondContact CA-SG 3.48Å; C696-C705 HydrophobicContact CB-CB 3.78Å; C696-C705 WeakPolarHBondContact CB-SG 3.36Å; C696-C705 VanDerWaalsContact SG-CA 3.55Å; C696-C705 WeakPolarHBondContact SG-CB 3.49Å; C696-C705 CovalentContact SG-SG 2.02Å; C696-C705 PolarHBondContact SG-SG 3.1Å; C696-P719 HydrophobicContact CB-CB 3.72Å |
| 697 | Q | 73.3 | Confident | 80.2 | Confident | 126 Ų | 126 | 73.3 Ų | 73.3 | 59% | 0.589 | 36% | 0.362 | S | S | * | . | P | Polyproline II helix | trans | -74.6 | 152.6 | 172.4 | -59.4 | -155.8 | 28.7 | 0 | 0 | 110.6 | Y688 G699 F700 | Y688-Q697 PolarHBondContact OH-NE2 3.37Å; Q697-G699 PolarHBondContact O-N 3.45Å; Q697-F700 PolarHBondContact O-N 3.36Å |
| 698 | S | 73.1 | Confident | 79.7 | Confident | 108 Ų | 108 | 77 Ų | 77 | 76% | 0.755 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | 131.7 | -179.2 | -54.9 | 0 | 0 | 0 | 0 | 111.5 | ||
| 699 | G | 75.6 | Confident | 79.1 | Confident | 21 Ų | 21 | 74.8 Ų | 74.8 | 22% | 0.216 | 38% | 0.375 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 97.5 | -1.4 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q697 C709 | Q697-G699 PolarHBondContact O-N 3.45Å; G699-C709 WeakPolarHBondContact O-CB 3.4Å; G699-C709 PolarHBondContact O-N 3.21Å; G699-C709 PolarHBondContact O-SG 3.21Å |
| 700 | F | 82.8 | Confident | 78.8 | Confident | 80 Ų | 80 | 78.3 Ų | 78.3 | 35% | 0.351 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 145.3 | 176.6 | -64.1 | -90.6 | 0 | 0 | 0 | 112.3 | C696 Q697 C705 N707 Q708 | C696-F700 WeakPolarHBondContact CB-O 3.23Å; Q697-F700 PolarHBondContact O-N 3.36Å; F700-C705 HydrophobicContact CB-CB 3.87Å; F700-N707 CarbonylContact C-O 3.36Å; F700-N707 WeakPolarHBondContact CA-O 3.48Å; F700-Q708 HydrophobicContact CD1-CB 3.96Å; F700-Q708 HydrophobicContact CD1-CG 4.2Å; F700-Q708 HydrophobicContact CE1-CB 3.72Å; F700-Q708 HydrophobicContact CE1-CG 3.74Å; F700-Q708 HydrophobicContact CZ-CG 4.07Å |
| 701 | Y | 83.9 | Confident | 78.3 | Confident | 67 Ų | 67 | 73.1 Ų | 73.1 | 26% | 0.263 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 172.5 | -176.8 | 79.7 | -80.4 | 0 | 0 | 0 | 114.2 | C705 N707 C709 P719 G722 | Y701-C705 CarbonylContact O-C 3.56Å; Y701-C705 WeakPolarHBondContact O-CA 3.41Å; Y701-N707 HydrophobicContact CD1-CB 3.5Å; Y701-N707 VanDerWaalsContact CD1-CB 3.5Å; Y701-N707 VanDerWaalsContact CD1-O 3.23Å; Y701-N707 WeakPolarHBondContact CD1-O 3.41Å; Y701-N707 HydrophobicContact CD2-CB 4.24Å; Y701-N707 HydrophobicContact CE1-CB 3.28Å; Y701-N707 HydrophobicContact CE2-CB 4.05Å; Y701-N707 WeakPolarHBondContact CE2-ND2 3.4Å; Y701-N707 HydrophobicContact CG-CB 4.01Å; Y701-N707 PolarHBondContact N-O 3.46Å; Y701-N707 PolarHBondContact O-N 3.38Å; Y701-C709 HydrophobicContact CD1-CB 4.48Å; Y701-C709 WeakPolarHBondContact CD1-SG 3.07Å; Y701-P719 VanDerWaalsContact CA-O 3.25Å; Y701-P719 WeakPolarHBondContact CA-O 3.05Å; Y701-P719 WeakPolarHBondContact CB-O 3.47Å; Y701-G722 VanDerWaalsContact CD2-N 3.3Å |
| 702 | G | 82.6 | Confident | 77.2 | Confident | 6 Ų | 6 | 74.5 Ų | 74.5 | 6% | 0.062 | 39% | 0.39 | C | S | . | . | S | Bend | trans | 85.8 | -170.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | S685 G686 C705 P719 | S685-G702 WeakPolarHBondContact CA-O 3.46Å; G686-G702 PolarHBondContact N-O 3.36Å; G702-C705 PolarHBondContact O-N 2.04Å; G702-P719 PolarHBondContact N-O 3.21Å; G702-P719 VanDerWaalsContact N-O 3.11Å |
| 703 | S | 79.8 | Confident | 75.7 | Confident | 43 Ų | 43 | 81.2 Ų | 81.2 | 30% | 0.301 | 43% | 0.431 | S | S | . | . | G | 310 helix | trans | -64.2 | 131.1 | 175.1 | 49.5 | 0 | 0 | 0 | 0 | 110.4 | C683 C705 Q706 | C683-S703 VanDerWaalsContact O-CB 3.25Å; C683-S703 WeakPolarHBondContact O-CB 3.41Å; S703-C705 PolarHBondContact O-N 3.28Å; S703-Q706 WeakPolarHBondContact O-CG 3.32Å; S703-Q706 PolarHBondContact O-N 3.25Å; S703-Q706 PolarHBondContact O-OE1 3.35Å |
| 704 | N | 77.4 | Confident | 74.8 | Confident | 64 Ų | 64 | 77.2 Ų | 77.2 | 34% | 0.342 | 43% | 0.427 | S | S | . | . | G | 310 helix | trans | 54.9 | 15.3 | -174.2 | -77.3 | -31.8 | 0 | 0 | 0 | 115 | C683 Y687 Q706 | C683-N704 WeakPolarHBondContact CB-OD1 3.5Å; C683-N704 PolarHBondContact SG-OD1 2.85Å; Y687-N704 VanDerWaalsContact O-CA 3.31Å; Y687-N704 WeakPolarHBondContact O-CA 3.27Å; Y687-N704 PolarHBondContact O-N 2.8Å; N704-Q706 PolarHBondContact O-N 2.84Å |
| 705 | C | 80.6 | Confident | 73.8 | Confident | 14 Ų | 14 | 73.7 Ų | 73.7 | 10% | 0.095 | 41% | 0.411 | C | S | . | . | G | 310 helix | trans | 59 | 25.6 | -178.9 | -38.4 | 0 | 0 | 0 | 0 | 113.9 | Y688 C696 F700 Y701 G702 S703 N707 | Y688-C705 VanDerWaalsContact CB-SG 3.55Å; Y688-C705 WeakPolarHBondContact CD1-SG 3.31Å; C696-C705 WeakPolarHBondContact CA-SG 3.48Å; C696-C705 HydrophobicContact CB-CB 3.78Å; C696-C705 WeakPolarHBondContact CB-SG 3.36Å; C696-C705 VanDerWaalsContact SG-CA 3.55Å; C696-C705 WeakPolarHBondContact SG-CB 3.49Å; C696-C705 CovalentContact SG-SG 2.02Å; C696-C705 PolarHBondContact SG-SG 3.1Å; F700-C705 HydrophobicContact CB-CB 3.87Å; Y701-C705 CarbonylContact O-C 3.56Å; Y701-C705 WeakPolarHBondContact O-CA 3.41Å; G702-C705 PolarHBondContact O-N 2.04Å; S703-C705 PolarHBondContact O-N 3.28Å; C705-N707 PolarHBondContact O-N 3.24Å |
| 706 | Q | 78.9 | Confident | 72.7 | Confident | 135 Ų | 135 | 67 Ų | 67 | 63% | 0.631 | 39% | 0.391 | S | S | * | . | trans | -66.8 | -21.3 | -172.6 | 72.1 | -163.7 | 18 | 0 | 0 | 114 | S703 N704 | S703-Q706 WeakPolarHBondContact O-CG 3.32Å; S703-Q706 PolarHBondContact O-N 3.25Å; S703-Q706 PolarHBondContact O-OE1 3.35Å; N704-Q706 PolarHBondContact O-N 2.84Å | ||
| 707 | N | 81.4 | Confident | 72.3 | Confident | 60 Ų | 60 | 66.9 Ų | 66.9 | 32% | 0.321 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 114.4 | 179.1 | -58.7 | -10.5 | 0 | 0 | 0 | 109.2 | F700 Y701 C705 | F700-N707 CarbonylContact C-O 3.36Å; F700-N707 WeakPolarHBondContact CA-O 3.48Å; Y701-N707 HydrophobicContact CD1-CB 3.5Å; Y701-N707 VanDerWaalsContact CD1-CB 3.5Å; Y701-N707 VanDerWaalsContact CD1-O 3.23Å; Y701-N707 WeakPolarHBondContact CD1-O 3.41Å; Y701-N707 HydrophobicContact CD2-CB 4.24Å; Y701-N707 HydrophobicContact CE1-CB 3.28Å; Y701-N707 HydrophobicContact CE2-CB 4.05Å; Y701-N707 WeakPolarHBondContact CE2-ND2 3.4Å; Y701-N707 HydrophobicContact CG-CB 4.01Å; Y701-N707 PolarHBondContact N-O 3.46Å; Y701-N707 PolarHBondContact O-N 3.38Å; C705-N707 PolarHBondContact O-N 3.24Å |
| 708 | Q | 75.3 | Confident | 72.1 | Confident | 145 Ų | 145 | 63.6 Ų | 63.6 | 68% | 0.678 | 38% | 0.377 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 137.4 | 167.3 | -169.1 | 170.1 | -22.6 | 0 | 0 | 109.7 | F700 A710 | F700-Q708 HydrophobicContact CD1-CB 3.96Å; F700-Q708 HydrophobicContact CD1-CG 4.2Å; F700-Q708 HydrophobicContact CE1-CB 3.72Å; F700-Q708 HydrophobicContact CE1-CG 3.74Å; F700-Q708 HydrophobicContact CZ-CG 4.07Å; Q708-A710 PolarHBondContact O-N 2.75Å |
| 709 | C | 72.5 | Confident | 72 | Confident | 13 Ų | 13 | 59.5 Ų | 59.5 | 9% | 0.088 | 35% | 0.348 | C | S | . | . | trans | -79 | 120.7 | -176.6 | -59.7 | 0 | 0 | 0 | 0 | 111 | G699 Y701 C711 C717 | G699-C709 WeakPolarHBondContact O-CB 3.4Å; G699-C709 PolarHBondContact O-N 3.21Å; G699-C709 PolarHBondContact O-SG 3.21Å; Y701-C709 HydrophobicContact CD1-CB 4.48Å; Y701-C709 WeakPolarHBondContact CD1-SG 3.07Å; C709-C711 VanDerWaalsContact CB-SG 3.54Å; C709-C711 PolarHBondContact O-N 3.13Å; C709-C717 HydrophobicContact CB-CB 3.54Å; C709-C717 WeakPolarHBondContact CB-SG 3.38Å; C709-C717 WeakPolarHBondContact SG-CB 3.21Å; C709-C717 CovalentContact SG-SG 2.02Å; C709-C717 PolarHBondContact SG-SG 2.8Å | ||
| 710 | A | 71.6 | Confident | 72 | Confident | 106 Ų | 106 | 62.1 Ų | 62.1 | 88% | 0.876 | 36% | 0.36 | S | S | * | . | trans | -77.1 | 66.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q708 C724 | Q708-A710 PolarHBondContact O-N 2.75Å; A710-C724 VanDerWaalsContact C-SG 3.57Å; A710-C724 PolarHBondContact O-SG 2.03Å | ||
| 711 | C | 63.7 | Low | 71.9 | Confident | 32 Ų | 32 | 62.1 Ų | 62.1 | 22% | 0.216 | 37% | 0.366 | C | S | . | . | trans | -110 | 151.6 | 177.3 | -39.4 | 0 | 0 | 0 | 0 | 111.4 | C709 V715 C724 | C709-C711 VanDerWaalsContact CB-SG 3.54Å; C709-C711 PolarHBondContact O-N 3.13Å; C711-V715 HydrophobicContact CB-CB 3.64Å; C711-V715 HydrophobicContact CB-CG1 3.59Å; C711-C724 WeakPolarHBondContact CA-SG 3.45Å; C711-C724 HydrophobicContact CB-CB 3.65Å; C711-C724 WeakPolarHBondContact CB-SG 3.28Å; C711-C724 PolarHBondContact N-SG 3.17Å; C711-C724 WeakPolarHBondContact SG-CB 3.34Å; C711-C724 CovalentContact SG-SG 2.03Å; C711-C724 PolarHBondContact SG-SG 2.96Å | ||
| 712 | E | 62.1 | Low | 71.2 | Confident | 131 Ų | 131 | 59.4 Ų | 59.4 | 61% | 0.612 | 36% | 0.359 | S | S | * | . | trans | -63.8 | 157.2 | 172.1 | -64.7 | -171.9 | 161.8 | 0 | 0 | 112.3 | G714 V715 | E712-G714 PolarHBondContact O-N 2.7Å; E712-V715 HydrophobicContact CB-CG2 4.41Å; E712-V715 WeakPolarHBondContact O-CB 3.39Å; E712-V715 PolarHBondContact O-N 2.98Å | ||
| 713 | V | 55.6 | Low | 70.6 | Confident | 142 Ų | 142 | 64.8 Ų | 64.8 | 86% | 0.861 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | 97.5 | -166.6 | -176.3 | 0 | 0 | 0 | 0 | 112.1 | ||
| 714 | G | 57.2 | Low | 69.8 | Low | 47 Ų | 47 | 65.1 Ų | 65.1 | 49% | 0.485 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 129.1 | -13.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | E712 | E712-G714 PolarHBondContact O-N 2.7Š|
| 715 | V | 60.6 | Low | 68.5 | Low | 24 Ų | 24 | 67.4 Ų | 67.4 | 15% | 0.145 | 40% | 0.396 | C | S | . | . | trans | -85.9 | 130.7 | -179.3 | 174.5 | 0 | 0 | 0 | 0 | 111 | C711 E712 C724 E725 P726 | C711-V715 HydrophobicContact CB-CB 3.64Å; C711-V715 HydrophobicContact CB-CG1 3.59Å; E712-V715 HydrophobicContact CB-CG2 4.41Å; E712-V715 WeakPolarHBondContact O-CB 3.39Å; E712-V715 PolarHBondContact O-N 2.98Å; V715-C724 HydrophobicContact CG1-CB 3.94Å; V715-E725 WeakPolarHBondContact CG1-O 3.23Å; V715-P726 HydrophobicContact CG1-CG 4.48Å; V715-P726 HydrophobicContact CG2-CB 4.09Å; V715-P726 HydrophobicContact CG2-CG 3.95Å | ||
| 716 | A | 56.5 | Low | 67 | Low | 28 Ų | 28 | 70 Ų | 70 | 23% | 0.231 | 41% | 0.413 | C | S | . | . | trans | -113.5 | 108.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | K727 | A716-K727 HydrophobicContact CB-CB 4.48Š| ||
| 717 | C | 72.8 | Confident | 65.6 | Low | 12 Ų | 12 | 67.7 Ų | 67.7 | 8% | 0.081 | 40% | 0.401 | C | S | . | . | trans | -62.3 | 159.1 | -179.9 | 53.6 | 0 | 0 | 0 | 0 | 115 | C709 L723 | C709-C717 HydrophobicContact CB-CB 3.54Å; C709-C717 WeakPolarHBondContact CB-SG 3.38Å; C709-C717 WeakPolarHBondContact SG-CB 3.21Å; C709-C717 CovalentContact SG-SG 2.02Å; C709-C717 PolarHBondContact SG-SG 2.8Å; C717-L723 VanDerWaalsContact CA-O 3.26Å; C717-L723 WeakPolarHBondContact CA-O 3.4Å | ||
| 718 | D | 69.3 | Low | 64.6 | Low | 57 Ų | 57 | 65 Ų | 65 | 31% | 0.305 | 39% | 0.387 | S | S | . | . | trans | -68.9 | 128.3 | 162.3 | -178.2 | -84.1 | 0 | 0 | 0 | 111.1 | V720 T721 G722 L723 | D718-V720 VanDerWaalsContact C-N 3.28Å; D718-V720 PolarHBondContact O-N 3.18Å; D718-V720 WeakPolarHBondContact OD1-CA 3.44Å; D718-V720 WeakPolarHBondContact OD1-CB 3.48Å; D718-V720 PolarHBondContact OD1-N 3.26Å; D718-T721 WeakPolarHBondContact CB-OG1 3.02Å; D718-T721 PolarHBondContact OD1-N 3.43Å; D718-T721 PolarHBondContact OD1-OG1 2.99Å; D718-T721 VanDerWaalsContact OD1-OG1 3.12Å; D718-G722 VanDerWaalsContact O-CA 3.31Å; D718-G722 WeakPolarHBondContact O-CA 3.49Å; D718-G722 PolarHBondContact O-N 3.04Å; D718-L723 PolarHBondContact N-O 2.83Å | ||
| 719 | P | 71.4 | Confident | 63.9 | Low | 23 Ų | 23 | 63.6 Ų | 63.6 | 15% | 0.149 | 38% | 0.378 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -13.6 | -174.7 | 28.3 | -35.3 | 0 | 0 | 0 | 114.6 | G686 C696 Y701 G702 | G686-P719 VanDerWaalsContact CA-O 3.24Å; G686-P719 WeakPolarHBondContact CA-O 3.4Å; G686-P719 PolarHBondContact N-O 2.86Å; C696-P719 HydrophobicContact CB-CB 3.72Å; Y701-P719 VanDerWaalsContact CA-O 3.25Å; Y701-P719 WeakPolarHBondContact CA-O 3.05Å; Y701-P719 WeakPolarHBondContact CB-O 3.47Å; G702-P719 PolarHBondContact N-O 3.21Å; G702-P719 VanDerWaalsContact N-O 3.11Å |
| 720 | V | 76 | Confident | 63.8 | Low | 76 Ų | 76 | 65.9 Ų | 65.9 | 46% | 0.461 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | -43.9 | 178.6 | -174.3 | 0 | 0 | 0 | 0 | 110.4 | D718 | D718-V720 VanDerWaalsContact C-N 3.28Å; D718-V720 PolarHBondContact O-N 3.18Å; D718-V720 WeakPolarHBondContact OD1-CA 3.44Å; D718-V720 WeakPolarHBondContact OD1-CB 3.48Å; D718-V720 PolarHBondContact OD1-N 3.26Å |
| 721 | T | 79.7 | Confident | 63.9 | Low | 79 Ų | 79 | 60.9 Ų | 60.9 | 49% | 0.485 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.4 | -18.7 | -171 | 61.6 | 0 | 0 | 0 | 0 | 115.1 | D718 L723 | D718-T721 WeakPolarHBondContact CB-OG1 3.02Å; D718-T721 PolarHBondContact OD1-N 3.43Å; D718-T721 PolarHBondContact OD1-OG1 2.99Å; D718-T721 VanDerWaalsContact OD1-OG1 3.12Å; T721-L723 VanDerWaalsContact C-N 3.29Å; T721-L723 PolarHBondContact O-N 3.03Å |
| 722 | G | 71.2 | Confident | 64.4 | Low | 11 Ų | 11 | 63.3 Ų | 63.3 | 11% | 0.113 | 36% | 0.357 | C | S | . | . | trans | 80.6 | 0.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y701 D718 C724 | Y701-G722 VanDerWaalsContact CD2-N 3.3Å; D718-G722 VanDerWaalsContact O-CA 3.31Å; D718-G722 WeakPolarHBondContact O-CA 3.49Å; D718-G722 PolarHBondContact O-N 3.04Å; G722-C724 PolarHBondContact O-N 2.83Å; G722-C724 VanDerWaalsContact O-N 3.14Å | ||
| 723 | L | 68.8 | Low | 65 | Low | 118 Ų | 118 | 59 Ų | 59 | 62% | 0.618 | 34% | 0.339 | S | S | * | . | trans | -61.5 | 114.8 | -177.8 | -74.4 | 170.5 | 0 | 0 | 0 | 111.9 | C717 D718 T721 E725 | C717-L723 VanDerWaalsContact CA-O 3.26Å; C717-L723 WeakPolarHBondContact CA-O 3.4Å; D718-L723 PolarHBondContact N-O 2.83Å; T721-L723 VanDerWaalsContact C-N 3.29Å; T721-L723 PolarHBondContact O-N 3.03Å; L723-E725 PolarHBondContact O-N 3.21Å; L723-E725 VanDerWaalsContact O-N 3.12Å | ||
| 724 | C | 62.8 | Low | 65.6 | Low | 50 Ų | 50 | 53.2 Ų | 53.2 | 34% | 0.338 | 31% | 0.309 | S | S | . | . | trans | -80.2 | 77.6 | -178.9 | -69.8 | 0 | 0 | 0 | 0 | 112.7 | A710 C711 V715 G722 | A710-C724 VanDerWaalsContact C-SG 3.57Å; A710-C724 PolarHBondContact O-SG 2.03Å; C711-C724 WeakPolarHBondContact CA-SG 3.45Å; C711-C724 HydrophobicContact CB-CB 3.65Å; C711-C724 WeakPolarHBondContact CB-SG 3.28Å; C711-C724 PolarHBondContact N-SG 3.17Å; C711-C724 WeakPolarHBondContact SG-CB 3.34Å; C711-C724 CovalentContact SG-SG 2.03Å; C711-C724 PolarHBondContact SG-SG 2.96Å; V715-C724 HydrophobicContact CG1-CB 3.94Å; G722-C724 PolarHBondContact O-N 2.83Å; G722-C724 VanDerWaalsContact O-N 3.14Å | ||
| 725 | E | 50.3 | Low | 65.7 | Low | 113 Ų | 113 | 57.8 Ų | 57.8 | 53% | 0.528 | 32% | 0.321 | S | S | . | . | trans | -88.4 | 129.2 | 167.1 | -66.9 | -177.2 | 140.6 | 0 | 0 | 110.8 | V715 L723 K727 | V715-E725 WeakPolarHBondContact CG1-O 3.23Å; L723-E725 PolarHBondContact O-N 3.21Å; L723-E725 VanDerWaalsContact O-N 3.12Å; E725-K727 PolarHBondContact O-N 3.32Å; E725-K727 WeakPolarHBondContact OE2-CE 3.38Å; E725-K727 IonicContact OE2-NZ 3.19Å; E725-K727 PolarHBondContact OE2-NZ 3.04Å | ||
| 726 | P | 49.5 | Very low | 65.7 | Low | 69 Ų | 69 | 60.3 Ų | 60.3 | 45% | 0.448 | 33% | 0.334 | S | S | . | . | trans | -54 | 132.3 | 170.2 | -25.2 | 33.9 | 0 | 0 | 0 | 110.2 | V715 N749 | V715-P726 HydrophobicContact CG1-CG 4.48Å; V715-P726 HydrophobicContact CG2-CB 4.09Å; V715-P726 HydrophobicContact CG2-CG 3.95Å; P726-N749 PolarHBondContact O-ND2 3.06Å; P726-N749 PolarHBondContact O-OD1 2.84Å | ||
| 727 | K | 49.6 | Very low | 66.1 | Low | 86 Ų | 86 | 59.7 Ų | 59.7 | 37% | 0.374 | 33% | 0.328 | S | S | . | . | trans | -138 | 60.4 | 179.6 | -74.3 | 174.3 | -178.6 | 147 | 0 | 109.4 | A716 E725 K729 V748 N749 | A716-K727 HydrophobicContact CB-CB 4.48Å; E725-K727 PolarHBondContact O-N 3.32Å; E725-K727 WeakPolarHBondContact OE2-CE 3.38Å; E725-K727 IonicContact OE2-NZ 3.19Å; E725-K727 PolarHBondContact OE2-NZ 3.04Å; K727-K729 PolarHBondContact O-N 2.78Å; K727-V748 HydrophobicContact CB-CG1 4.22Å; K727-V748 HydrophobicContact CG-CG1 4.34Å; K727-N749 WeakPolarHBondContact CA-OD1 3.38Å | ||
| 728 | C | 60.8 | Low | 66 | Low | 4 Ų | 4 | 66.3 Ų | 66.3 | 3% | 0.027 | 36% | 0.355 | C | S | . | . | trans | -55.3 | 134.2 | 174.7 | -59.8 | 0 | 0 | 0 | 0 | 110 | Y732 C737 N749 | C728-Y732 WeakPolarHBondContact CB-O 3.37Å; C728-C737 WeakPolarHBondContact CA-SG 3.48Å; C728-C737 HydrophobicContact CB-CB 3.66Å; C728-C737 WeakPolarHBondContact CB-SG 3.24Å; C728-C737 WeakPolarHBondContact SG-CA 3.24Å; C728-C737 WeakPolarHBondContact SG-CB 3.35Å; C728-C737 CovalentContact SG-SG 2.04Å; C728-C737 PolarHBondContact SG-SG 2.96Å; C728-N749 WeakPolarHBondContact CB-OD1 3.4Å; C728-N749 PolarHBondContact N-OD1 3.16Å | ||
| 729 | K | 60.7 | Low | 66.3 | Low | 115 Ų | 115 | 69.1 Ų | 69.1 | 50% | 0.5 | 37% | 0.367 | S | S | . | . | trans | -43.5 | 139 | 173.4 | 43.4 | 159.8 | 178.5 | 162 | 0 | 110.5 | K727 G731 Y732 | K727-K729 PolarHBondContact O-N 2.78Å; K729-G731 PolarHBondContact O-N 3.49Å; K729-Y732 HydrophobicContact CD-CD2 3.48Å; K729-Y732 VanDerWaalsContact CD-CD2 3.48Å; K729-Y732 HydrophobicContact CD-CE2 3.71Å; K729-Y732 HydrophobicContact CD-CG 4.14Å; K729-Y732 HydrophobicContact CG-CD2 3.68Å; K729-Y732 HydrophobicContact CG-CE2 4.4Å; K729-Y732 HydrophobicContact CG-CG 4.16Å; K729-Y732 PolarHBondContact O-N 3.03Å; K729-Y732 VanDerWaalsContact O-N 3.08Å | ||
| 730 | P | 70.6 | Confident | 66.1 | Low | 60 Ų | 60 | 72.5 Ų | 72.5 | 39% | 0.39 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.3 | 129.3 | -176.7 | -27.9 | 33.8 | 0 | 0 | 0 | 112.3 | G747 V748 A765 | P730-G747 WeakPolarHBondContact CA-O 3.37Å; P730-V748 HydrophobicContact CG-CG2 3.95Å; P730-A765 HydrophobicContact CB-CB 4.13Å; P730-A765 WeakPolarHBondContact CB-O 3.41Å; P730-A765 VanDerWaalsContact O-CB 3.32Å; P730-A765 WeakPolarHBondContact O-CB 3.41Å |
| 731 | G | 73.2 | Confident | 66.2 | Low | 2 Ų | 2 | 69.5 Ų | 69.5 | 2% | 0.021 | 37% | 0.371 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 97.4 | 2.1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | K729 C741 G747 P764 | K729-G731 PolarHBondContact O-N 3.49Å; G731-C741 WeakPolarHBondContact CA-SG 3Å; G731-C741 PolarHBondContact O-N 2.73Å; G731-G747 PolarHBondContact N-O 2.91Å; G731-G747 VanDerWaalsContact N-O 3.14Å; G731-P764 WeakPolarHBondContact CA-O 3.23Å; G731-P764 PolarHBondContact N-O 3.13Å |
| 732 | Y | 72.9 | Confident | 66.1 | Low | 83 Ų | 83 | 69 Ų | 69 | 33% | 0.325 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 157.2 | 178.4 | -61.7 | -96.5 | 0 | 0 | 0 | 112.7 | C728 K729 C737 Q739 N749 | C728-Y732 WeakPolarHBondContact CB-O 3.37Å; K729-Y732 HydrophobicContact CD-CD2 3.48Å; K729-Y732 VanDerWaalsContact CD-CD2 3.48Å; K729-Y732 HydrophobicContact CD-CE2 3.71Å; K729-Y732 HydrophobicContact CD-CG 4.14Å; K729-Y732 HydrophobicContact CG-CD2 3.68Å; K729-Y732 HydrophobicContact CG-CE2 4.4Å; K729-Y732 HydrophobicContact CG-CG 4.16Å; K729-Y732 PolarHBondContact O-N 3.03Å; K729-Y732 VanDerWaalsContact O-N 3.08Å; Y732-C737 WeakPolarHBondContact CB-O 3.47Å; Y732-Q739 CarbonylContact C-O 3.59Å; Y732-Q739 VanDerWaalsContact CA-O 3.23Å; Y732-Q739 WeakPolarHBondContact CA-O 3Å; Y732-N749 WeakPolarHBondContact O-CA 3.35Å |
| 733 | T | 75.5 | Confident | 66 | Low | 39 Ų | 39 | 74.5 Ų | 74.5 | 24% | 0.239 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | -167.1 | 179.8 | -169.9 | 0 | 0 | 0 | 0 | 109.8 | C737 K738 Q739 | T733-C737 CarbonylContact O-C 3.56Å; T733-C737 WeakPolarHBondContact O-CA 3.28Å; T733-K738 PolarHBondContact O-N 2.93Å; T733-Q739 HydrophobicContact CG2-CB 4.22Å; T733-Q739 PolarHBondContact N-O 3.28Å; T733-Q739 WeakPolarHBondContact O-CB 3.4Å; T733-Q739 PolarHBondContact O-N 3.36Å |
| 734 | G | 67.4 | Low | 66.1 | Low | 21 Ų | 21 | 71.8 Ų | 71.8 | 22% | 0.216 | 39% | 0.386 | C | S | . | . | S | Bend | trans | 81.6 | 161.3 | -171.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | D736 C737 | G734-D736 VanDerWaalsContact C-N 3.29Å; G734-D736 PolarHBondContact O-N 3.46Å; G734-C737 PolarHBondContact O-N 3.15Å |
| 735 | L | 60.5 | Low | 67 | Low | 143 Ų | 143 | 74 Ų | 74 | 75% | 0.749 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -39.6 | -174 | -64.7 | 169.9 | 0 | 0 | 0 | 112.6 | ||
| 736 | D | 59.6 | Low | 68.5 | Low | 78 Ų | 78 | 71.1 Ų | 71.1 | 42% | 0.417 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | 10.3 | 177.7 | 69.4 | -39.5 | 0 | 0 | 0 | 113.6 | G734 K738 | G734-D736 VanDerWaalsContact C-N 3.29Å; G734-D736 PolarHBondContact O-N 3.46Å; D736-K738 PolarHBondContact O-N 2.57Å; D736-K738 VanDerWaalsContact O-N 3.11Å; D736-K738 WeakPolarHBondContact OD2-CD 3.44Å; D736-K738 WeakPolarHBondContact OD2-CE 3.03Å; D736-K738 WeakPolarHBondContact OD2-CG 3.35Å; D736-K738 IonicContact OD2-NZ 2.7Å; D736-K738 PolarHBondContact OD2-NZ 3.19Å |
| 737 | C | 66.2 | Low | 69.5 | Low | 15 Ų | 15 | 68.3 Ų | 68.3 | 10% | 0.101 | 36% | 0.356 | C | S | . | . | S | Bend | trans | 52.3 | 27.3 | -178.6 | -66.7 | 0 | 0 | 0 | 0 | 115.5 | C728 Y732 T733 G734 | C728-C737 WeakPolarHBondContact CA-SG 3.48Å; C728-C737 HydrophobicContact CB-CB 3.66Å; C728-C737 WeakPolarHBondContact CB-SG 3.24Å; C728-C737 WeakPolarHBondContact SG-CA 3.24Å; C728-C737 WeakPolarHBondContact SG-CB 3.35Å; C728-C737 CovalentContact SG-SG 2.04Å; C728-C737 PolarHBondContact SG-SG 2.96Å; Y732-C737 WeakPolarHBondContact CB-O 3.47Å; T733-C737 CarbonylContact O-C 3.56Å; T733-C737 WeakPolarHBondContact O-CA 3.28Å; G734-C737 PolarHBondContact O-N 3.15Å |
| 738 | K | 69.8 | Low | 70.5 | Confident | 151 Ų | 151 | 67.4 Ų | 67.4 | 66% | 0.657 | 36% | 0.358 | S | S | * | . | trans | -103.1 | -18.6 | 177.4 | -66.6 | -174.9 | -156.5 | 145 | 0 | 114.6 | T733 D736 | T733-K738 PolarHBondContact O-N 2.93Å; D736-K738 PolarHBondContact O-N 2.57Å; D736-K738 VanDerWaalsContact O-N 3.11Å; D736-K738 WeakPolarHBondContact OD2-CD 3.44Å; D736-K738 WeakPolarHBondContact OD2-CE 3.03Å; D736-K738 WeakPolarHBondContact OD2-CG 3.35Å; D736-K738 IonicContact OD2-NZ 2.7Å; D736-K738 PolarHBondContact OD2-NZ 3.19Å | ||
| 739 | Q | 75.2 | Confident | 70.8 | Confident | 116 Ų | 116 | 69.8 Ų | 69.8 | 54% | 0.542 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 129 | 176.7 | -60.1 | -176 | -7.3 | 0 | 0 | 108.8 | Y732 T733 | Y732-Q739 CarbonylContact C-O 3.59Å; Y732-Q739 VanDerWaalsContact CA-O 3.23Å; Y732-Q739 WeakPolarHBondContact CA-O 3Å; T733-Q739 HydrophobicContact CG2-CB 4.22Å; T733-Q739 PolarHBondContact N-O 3.28Å; T733-Q739 WeakPolarHBondContact O-CB 3.4Å; T733-Q739 PolarHBondContact O-N 3.36Å |
| 740 | P | 68.7 | Low | 71.5 | Confident | 93 Ų | 93 | 64.5 Ų | 64.5 | 60% | 0.604 | 35% | 0.348 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 158.4 | 172.8 | 30 | -34.8 | 0 | 0 | 0 | 110.2 | ||
| 741 | C | 78.4 | Confident | 71.7 | Confident | 14 Ų | 14 | 65.2 Ų | 65.2 | 10% | 0.095 | 36% | 0.358 | C | S | . | . | P | Polyproline II helix | trans | -60.4 | 144.6 | 175.4 | -69.3 | 0 | 0 | 0 | 0 | 112.9 | G731 R745 C750 P764 | G731-C741 WeakPolarHBondContact CA-SG 3Å; G731-C741 PolarHBondContact O-N 2.73Å; C741-R745 WeakPolarHBondContact CB-O 3.18Å; C741-C750 WeakPolarHBondContact CA-SG 3.27Å; C741-C750 HydrophobicContact CB-CB 3.75Å; C741-C750 WeakPolarHBondContact CB-SG 3.03Å; C741-C750 VanDerWaalsContact SG-CA 3.55Å; C741-C750 WeakPolarHBondContact SG-CB 3.24Å; C741-C750 CovalentContact SG-SG 2.02Å; C741-C750 PolarHBondContact SG-SG 3.32Å; C741-P764 HydrophobicContact CB-CB 3.81Å |
| 742 | P | 76.2 | Confident | 71.9 | Confident | 67 Ų | 67 | 71 Ų | 71 | 44% | 0.435 | 38% | 0.383 | S | S | . | . | P | Polyproline II helix | trans | -52.2 | 146 | 160.9 | -24.3 | 34.6 | 0 | 0 | 0 | 110.9 | D744 R745 | P742-D744 PolarHBondContact O-N 2.02Å; P742-R745 PolarHBondContact O-N 2.58Å |
| 743 | T | 68.8 | Low | 72.1 | Confident | 128 Ų | 128 | 73.8 Ų | 73.8 | 79% | 0.785 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -16.3 | -172.7 | 47.6 | 0 | 0 | 0 | 0 | 114.6 | C762 | T743-C762 WeakPolarHBondContact O-CB 3.47Š|
| 744 | D | 71 | Confident | 72 | Confident | 60 Ų | 60 | 72.7 Ų | 72.7 | 32% | 0.321 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | 4.1 | 174.7 | 84.3 | -46.4 | 0 | 0 | 0 | 114 | P742 K753 C754 | P742-D744 PolarHBondContact O-N 2.02Å; D744-K753 WeakPolarHBondContact O-CG 3.34Å; D744-K753 VanDerWaalsContact OD2-CE 3.23Å; D744-K753 WeakPolarHBondContact OD2-CE 3.17Å; D744-K753 IonicContact OD2-NZ 2.85Å; D744-C754 WeakPolarHBondContact O-CB 3.48Å; D744-C754 PolarHBondContact O-N 2.04Å |
| 745 | R | 81.7 | Confident | 72.5 | Confident | 96 Ų | 96 | 78.1 Ų | 78.1 | 36% | 0.362 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 154.4 | -167.4 | -78.3 | 167.3 | 178.2 | -84.4 | 1.5 | 114.8 | C741 P742 C750 K752 | C741-R745 WeakPolarHBondContact CB-O 3.18Å; P742-R745 PolarHBondContact O-N 2.58Å; R745-C750 HydrophobicContact CB-CB 3.89Å; R745-C750 WeakPolarHBondContact CB-O 3.08Å; R745-C750 PolarHBondContact NH1-O 3.2Å; R745-K752 CarbonylContact C-O 3.51Å; R745-K752 VanDerWaalsContact CA-O 3.31Å; R745-K752 WeakPolarHBondContact CA-O 3.04Å |
| 746 | Y | 81.7 | Confident | 73.1 | Confident | 53 Ų | 53 | 73 Ų | 73 | 21% | 0.208 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 171.6 | -177.1 | 77.9 | -88.8 | 0 | 0 | 0 | 114.6 | C750 A751 K752 C754 P764 S766 G767 | Y746-C750 CarbonylContact O-C 3.49Å; Y746-C750 VanDerWaalsContact O-C 3.31Å; Y746-C750 WeakPolarHBondContact O-CA 3.34Å; Y746-A751 PolarHBondContact O-N 2.93Å; Y746-K752 HydrophobicContact CD1-CB 3.81Å; Y746-K752 WeakPolarHBondContact CD1-O 3.32Å; Y746-K752 HydrophobicContact CD2-CB 4.2Å; Y746-K752 HydrophobicContact CD2-CD 4.33Å; Y746-K752 HydrophobicContact CE1-CB 3.52Å; Y746-K752 HydrophobicContact CE1-CD 4.34Å; Y746-K752 HydrophobicContact CE2-CB 3.95Å; Y746-K752 HydrophobicContact CE2-CD 3.52Å; Y746-K752 HydrophobicContact CE2-CG 4.33Å; Y746-K752 HydrophobicContact CG-CB 4.15Å; Y746-K752 PolarHBondContact N-O 2.88Å; Y746-K752 PolarHBondContact O-N 3.37Å; Y746-K752 VanDerWaalsContact O-N 3.11Å; Y746-K752 WeakPolarHBondContact OH-CD 3.15Å; Y746-C754 HydrophobicContact CD1-CB 4.05Å; Y746-P764 CarbonylContact C-O 3.57Å; Y746-P764 WeakPolarHBondContact CA-O 3.24Å; Y746-P764 VanDerWaalsContact CB-O 3.25Å; Y746-P764 WeakPolarHBondContact CB-O 3.23Å; Y746-S766 VanDerWaalsContact CD2-C 3.4Å; Y746-S766 WeakPolarHBondContact CE2-O 3.29Å; Y746-G767 VanDerWaalsContact CD1-CA 3.5Å |
| 747 | G | 71 | Confident | 73.7 | Confident | 10 Ų | 10 | 70.4 Ų | 70.4 | 10% | 0.103 | 38% | 0.382 | C | S | . | . | S | Bend | trans | 87 | -167.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | P730 G731 N749 C750 P764 | P730-G747 WeakPolarHBondContact CA-O 3.37Å; G731-G747 PolarHBondContact N-O 2.91Å; G731-G747 VanDerWaalsContact N-O 3.14Å; G747-N749 PolarHBondContact O-N 3.34Å; G747-C750 PolarHBondContact O-N 2.83Å; G747-P764 PolarHBondContact N-O 3.49Å |
| 748 | V | 70.5 | Confident | 73.8 | Confident | 68 Ų | 68 | 76.4 Ų | 76.4 | 41% | 0.412 | 42% | 0.421 | S | S | . | . | G | 310 helix | trans | -57.5 | 127.9 | 176 | 179.6 | 0 | 0 | 0 | 0 | 109 | K727 P730 C750 A751 | K727-V748 HydrophobicContact CB-CG1 4.22Å; K727-V748 HydrophobicContact CG-CG1 4.34Å; P730-V748 HydrophobicContact CG-CG2 3.95Å; V748-C750 PolarHBondContact O-N 3.36Å; V748-A751 VanDerWaalsContact O-CB 3.32Å; V748-A751 WeakPolarHBondContact O-CB 3.33Å; V748-A751 PolarHBondContact O-N 3.09Å |
| 749 | N | 66.7 | Low | 73.7 | Confident | 54 Ų | 54 | 71.2 Ų | 71.2 | 29% | 0.289 | 41% | 0.406 | S | S | . | . | G | 310 helix | trans | 51.1 | 18.9 | -173.1 | -48.9 | -25.9 | 0 | 0 | 0 | 115.5 | P726 K727 C728 Y732 G747 A751 | P726-N749 PolarHBondContact O-ND2 3.06Å; P726-N749 PolarHBondContact O-OD1 2.84Å; K727-N749 WeakPolarHBondContact CA-OD1 3.38Å; C728-N749 WeakPolarHBondContact CB-OD1 3.4Å; C728-N749 PolarHBondContact N-OD1 3.16Å; Y732-N749 WeakPolarHBondContact O-CA 3.35Å; G747-N749 PolarHBondContact O-N 3.34Å; N749-A751 PolarHBondContact O-N 2.79Å |
| 750 | C | 75.2 | Confident | 73.8 | Confident | 4 Ų | 4 | 67 Ų | 67 | 3% | 0.027 | 39% | 0.387 | C | S | . | . | G | 310 helix | trans | 59.5 | 27.6 | -173.6 | -39.9 | 0 | 0 | 0 | 0 | 113.2 | C741 R745 Y746 G747 V748 K752 | C741-C750 WeakPolarHBondContact CA-SG 3.27Å; C741-C750 HydrophobicContact CB-CB 3.75Å; C741-C750 WeakPolarHBondContact CB-SG 3.03Å; C741-C750 VanDerWaalsContact SG-CA 3.55Å; C741-C750 WeakPolarHBondContact SG-CB 3.24Å; C741-C750 CovalentContact SG-SG 2.02Å; C741-C750 PolarHBondContact SG-SG 3.32Å; R745-C750 HydrophobicContact CB-CB 3.89Å; R745-C750 WeakPolarHBondContact CB-O 3.08Å; R745-C750 PolarHBondContact NH1-O 3.2Å; Y746-C750 CarbonylContact O-C 3.49Å; Y746-C750 VanDerWaalsContact O-C 3.31Å; Y746-C750 WeakPolarHBondContact O-CA 3.34Å; G747-C750 PolarHBondContact O-N 2.83Å; V748-C750 PolarHBondContact O-N 3.36Å; C750-K752 VanDerWaalsContact C-N 3.29Å; C750-K752 PolarHBondContact O-N 2.83Å |
| 751 | A | 75.9 | Confident | 73.9 | Confident | 74 Ų | 74 | 67.3 Ų | 67.3 | 61% | 0.612 | 38% | 0.383 | S | S | * | . | trans | -66.7 | -27.5 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y746 V748 N749 | Y746-A751 PolarHBondContact O-N 2.93Å; V748-A751 VanDerWaalsContact O-CB 3.32Å; V748-A751 WeakPolarHBondContact O-CB 3.33Å; V748-A751 PolarHBondContact O-N 3.09Å; N749-A751 PolarHBondContact O-N 2.79Å | ||
| 752 | K | 77.5 | Confident | 73.9 | Confident | 125 Ų | 125 | 67.5 Ų | 67.5 | 54% | 0.543 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 130.2 | 178.6 | -63.5 | -174.3 | 175.8 | -173.8 | 0 | 110.2 | R745 Y746 C750 | R745-K752 CarbonylContact C-O 3.51Å; R745-K752 VanDerWaalsContact CA-O 3.31Å; R745-K752 WeakPolarHBondContact CA-O 3.04Å; Y746-K752 HydrophobicContact CD1-CB 3.81Å; Y746-K752 WeakPolarHBondContact CD1-O 3.32Å; Y746-K752 HydrophobicContact CD2-CB 4.2Å; Y746-K752 HydrophobicContact CD2-CD 4.33Å; Y746-K752 HydrophobicContact CE1-CB 3.52Å; Y746-K752 HydrophobicContact CE1-CD 4.34Å; Y746-K752 HydrophobicContact CE2-CB 3.95Å; Y746-K752 HydrophobicContact CE2-CD 3.52Å; Y746-K752 HydrophobicContact CE2-CG 4.33Å; Y746-K752 HydrophobicContact CG-CB 4.15Å; Y746-K752 PolarHBondContact N-O 2.88Å; Y746-K752 PolarHBondContact O-N 3.37Å; Y746-K752 VanDerWaalsContact O-N 3.11Å; Y746-K752 WeakPolarHBondContact OH-CD 3.15Å; C750-K752 VanDerWaalsContact C-N 3.29Å; C750-K752 PolarHBondContact O-N 2.83Å |
| 753 | K | 76.7 | Confident | 73.8 | Confident | 141 Ų | 141 | 68.6 Ų | 68.6 | 61% | 0.613 | 38% | 0.383 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 140.5 | 168.8 | -164.2 | 175 | -178.7 | 171.9 | 0 | 109.8 | D744 | D744-K753 WeakPolarHBondContact O-CG 3.34Å; D744-K753 VanDerWaalsContact OD2-CE 3.23Å; D744-K753 WeakPolarHBondContact OD2-CE 3.17Å; D744-K753 IonicContact OD2-NZ 2.85Å |
| 754 | C | 74.5 | Confident | 74 | Confident | 15 Ų | 15 | 64.7 Ų | 64.7 | 10% | 0.101 | 36% | 0.36 | C | S | . | . | P | Polyproline II helix | trans | -91.2 | 142.4 | 178.7 | -130.9 | 0 | 0 | 0 | 0 | 110.6 | D744 Y746 C756 C762 | D744-C754 WeakPolarHBondContact O-CB 3.48Å; D744-C754 PolarHBondContact O-N 2.04Å; Y746-C754 HydrophobicContact CD1-CB 4.05Å; C754-C756 VanDerWaalsContact SG-SG 3.63Å; C754-C762 HydrophobicContact CB-CB 3.65Å; C754-C762 WeakPolarHBondContact CB-SG 3.21Å; C754-C762 WeakPolarHBondContact SG-CB 3.41Å; C754-C762 CovalentContact SG-SG 2.03Å; C754-C762 PolarHBondContact SG-SG 3.13Å |
| 755 | T | 76.1 | Confident | 74 | Confident | 135 Ų | 135 | 63.7 Ų | 63.7 | 83% | 0.828 | 36% | 0.36 | S | S | * | . | trans | -122.9 | 71.6 | 178.3 | 52.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 756 | C | 73.3 | Confident | 73.9 | Confident | 36 Ų | 36 | 62.1 Ų | 62.1 | 24% | 0.243 | 36% | 0.364 | C | S | . | . | trans | -98.2 | 149.6 | 178.7 | -57.6 | 0 | 0 | 0 | 0 | 111.3 | C754 Q760 C769 | C754-C756 VanDerWaalsContact SG-SG 3.63Å; C756-Q760 HydrophobicContact CB-CB 4.2Å; C756-Q760 WeakPolarHBondContact CB-O 3.42Å; C756-C769 WeakPolarHBondContact CA-SG 3.34Å; C756-C769 HydrophobicContact CB-CB 3.69Å; C756-C769 WeakPolarHBondContact CB-SG 3.04Å; C756-C769 VanDerWaalsContact SG-CA 3.59Å; C756-C769 WeakPolarHBondContact SG-CB 3.43Å; C756-C769 CovalentContact SG-SG 2.04Å; C756-C769 PolarHBondContact SG-SG 3.01Å | ||
| 757 | P | 71.8 | Confident | 73.6 | Confident | 23 Ų | 23 | 60.3 Ų | 60.3 | 15% | 0.149 | 36% | 0.361 | C | S | . | . | trans | -54.2 | 150.5 | 163.9 | -24.9 | 34.7 | 0 | 0 | 0 | 111.5 | A759 Q760 H778 | P757-A759 PolarHBondContact O-N 3.17Å; P757-Q760 HydrophobicContact CG-CG 4.5Å; P757-Q760 PolarHBondContact O-N 3.33Å; P757-H778 WeakPolarHBondContact CB-O 3.32Å; P757-H778 WeakPolarHBondContact CG-NE2 3.06Å | ||
| 758 | P | 68.4 | Low | 73.9 | Confident | 141 Ų | 141 | 64.9 Ų | 64.9 | 92% | 0.916 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -21 | -171.6 | -28 | 36 | 0 | 0 | 0 | 116.5 | ||
| 759 | A | 68.9 | Low | 74.3 | Confident | 42 Ų | 42 | 62.8 Ų | 62.8 | 35% | 0.347 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | -13.8 | 178 | 0 | 0 | 0 | 0 | 0 | 114.3 | P757 D779 C780 | P757-A759 PolarHBondContact O-N 3.17Å; A759-D779 VanDerWaalsContact CB-C 3.45Å; A759-D779 VanDerWaalsContact CB-O 3.23Å; A759-D779 WeakPolarHBondContact CB-O 3.47Å; A759-C780 HydrophobicContact CB-CB 4.12Å; A759-C780 PolarHBondContact O-SG 3.48Å |
| 760 | Q | 76.3 | Confident | 74.5 | Confident | 28 Ų | 28 | 61.5 Ų | 61.5 | 13% | 0.131 | 37% | 0.365 | C | S | . | . | S | Bend | trans | -94.4 | 131.1 | -177.6 | -73 | -176.1 | 0.5 | 0 | 0 | 111.5 | C756 P757 C769 G777 H778 C780 | C756-Q760 HydrophobicContact CB-CB 4.2Å; C756-Q760 WeakPolarHBondContact CB-O 3.42Å; P757-Q760 HydrophobicContact CG-CG 4.5Å; P757-Q760 PolarHBondContact O-N 3.33Å; Q760-C769 HydrophobicContact CB-CB 4.07Å; Q760-G777 PolarHBondContact NE2-O 3.02Å; Q760-H778 PolarHBondContact NE2-O 3.13Å; Q760-C780 WeakPolarHBondContact CG-SG 3.45Å |
| 761 | L | 71.9 | Confident | 74.5 | Confident | 100 Ų | 100 | 61.4 Ų | 61.4 | 52% | 0.524 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 130 | 177 | -64.3 | 169.4 | 0 | 0 | 0 | 109.9 | H763 T770 P772 | L761-H763 PolarHBondContact O-N 3.29Å; L761-T770 PolarHBondContact N-O 3.1Å; L761-T770 PolarHBondContact O-N 3.49Å; L761-T770 PolarHBondContact O-OG1 2.74Å; L761-P772 HydrophobicContact CD1-CG 4.12Å |
| 762 | C | 77.6 | Confident | 74.1 | Confident | 17 Ų | 17 | 60.6 Ų | 60.6 | 12% | 0.115 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 117.2 | 173.1 | -178.8 | 0 | 0 | 0 | 0 | 110.3 | T743 C754 P764 | T743-C762 WeakPolarHBondContact O-CB 3.47Å; C754-C762 HydrophobicContact CB-CB 3.65Å; C754-C762 WeakPolarHBondContact CB-SG 3.21Å; C754-C762 WeakPolarHBondContact SG-CB 3.41Å; C754-C762 CovalentContact SG-SG 2.03Å; C754-C762 PolarHBondContact SG-SG 3.13Å; C762-P764 WeakPolarHBondContact O-CD 3.38Å |
| 763 | H | 75.3 | Confident | 73.6 | Confident | 90 Ų | 90 | 56 Ų | 56 | 42% | 0.417 | 34% | 0.338 | S | S | . | . | trans | -69.3 | 113.9 | 173.3 | -178.1 | -104.3 | 0 | 0 | 0 | 109.9 | L761 A765 S766 G767 L768 | L761-H763 PolarHBondContact O-N 3.29Å; H763-A765 VanDerWaalsContact C-N 3.26Å; H763-A765 PolarHBondContact O-N 3.17Å; H763-A765 VanDerWaalsContact O-N 3.09Å; H763-S766 PolarHBondContact ND1-OG 2.83Å; H763-S766 PolarHBondContact O-N 2.9Å; H763-S766 VanDerWaalsContact O-N 3.11Å; H763-G767 PolarHBondContact O-N 2.71Å; H763-L768 HydrophobicContact CB-CB 4.37Å; H763-L768 VanDerWaalsContact CB-O 3.26Å; H763-L768 WeakPolarHBondContact CB-O 3.31Å; H763-L768 PolarHBondContact N-O 3.43Å | ||
| 764 | P | 72.5 | Confident | 73 | Confident | 46 Ų | 46 | 49.4 Ų | 49.4 | 30% | 0.299 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -25 | -159.9 | 26.4 | -36.5 | 0 | 0 | 0 | 113.2 | G731 C741 Y746 G747 C762 | G731-P764 WeakPolarHBondContact CA-O 3.23Å; G731-P764 PolarHBondContact N-O 3.13Å; C741-P764 HydrophobicContact CB-CB 3.81Å; Y746-P764 CarbonylContact C-O 3.57Å; Y746-P764 WeakPolarHBondContact CA-O 3.24Å; Y746-P764 VanDerWaalsContact CB-O 3.25Å; Y746-P764 WeakPolarHBondContact CB-O 3.23Å; G747-P764 PolarHBondContact N-O 3.49Å; C762-P764 WeakPolarHBondContact O-CD 3.38Å |
| 765 | A | 71.4 | Confident | 72.9 | Confident | 40 Ų | 40 | 51.8 Ų | 51.8 | 33% | 0.331 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -33.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | P730 H763 | P730-A765 HydrophobicContact CB-CB 4.13Å; P730-A765 WeakPolarHBondContact CB-O 3.41Å; P730-A765 VanDerWaalsContact O-CB 3.32Å; P730-A765 WeakPolarHBondContact O-CB 3.41Å; H763-A765 VanDerWaalsContact C-N 3.26Å; H763-A765 PolarHBondContact O-N 3.17Å; H763-A765 VanDerWaalsContact O-N 3.09Å |
| 766 | S | 79.1 | Confident | 72.4 | Confident | 62 Ų | 62 | 48.2 Ų | 48.2 | 43% | 0.434 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.1 | -19.1 | -168.4 | 57 | 0 | 0 | 0 | 0 | 114.8 | Y746 H763 L768 | Y746-S766 VanDerWaalsContact CD2-C 3.4Å; Y746-S766 WeakPolarHBondContact CE2-O 3.29Å; H763-S766 PolarHBondContact ND1-OG 2.83Å; H763-S766 PolarHBondContact O-N 2.9Å; H763-S766 VanDerWaalsContact O-N 3.11Å; S766-L768 PolarHBondContact O-N 2.04Å; S766-L768 WeakPolarHBondContact OG-CB 3.45Å; S766-L768 PolarHBondContact OG-N 2.92Å |
| 767 | G | 75.9 | Confident | 72 | Confident | 15 Ų | 15 | 47.3 Ų | 47.3 | 16% | 0.155 | 29% | 0.29 | C | S | . | . | trans | 73.9 | 9.6 | -171.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y746 H763 C769 | Y746-G767 VanDerWaalsContact CD1-CA 3.5Å; H763-G767 PolarHBondContact O-N 2.71Å; G767-C769 PolarHBondContact O-N 3.31Å | ||
| 768 | L | 77.4 | Confident | 71.8 | Confident | 106 Ų | 106 | 51.3 Ų | 51.3 | 56% | 0.555 | 31% | 0.307 | S | S | * | . | trans | -70.7 | 118.4 | 174.7 | -173.9 | 68.7 | 0 | 0 | 0 | 108.5 | H763 S766 T770 | H763-L768 HydrophobicContact CB-CB 4.37Å; H763-L768 VanDerWaalsContact CB-O 3.26Å; H763-L768 WeakPolarHBondContact CB-O 3.31Å; H763-L768 PolarHBondContact N-O 3.43Å; S766-L768 PolarHBondContact O-N 2.04Å; S766-L768 WeakPolarHBondContact OG-CB 3.45Å; S766-L768 PolarHBondContact OG-N 2.92Å; L768-T770 HydrophobicContact CD2-CG2 3.85Å; L768-T770 HydrophobicContact CG-CG2 3.88Å; L768-T770 PolarHBondContact O-N 3.24Å | ||
| 769 | C | 78 | Confident | 71.6 | Confident | 25 Ų | 25 | 48.3 Ų | 48.3 | 17% | 0.169 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 117.4 | 174.2 | -56.5 | 0 | 0 | 0 | 0 | 109 | C756 Q760 G767 M806 | C756-C769 WeakPolarHBondContact CA-SG 3.34Å; C756-C769 HydrophobicContact CB-CB 3.69Å; C756-C769 WeakPolarHBondContact CB-SG 3.04Å; C756-C769 VanDerWaalsContact SG-CA 3.59Å; C756-C769 WeakPolarHBondContact SG-CB 3.43Å; C756-C769 CovalentContact SG-SG 2.04Å; C756-C769 PolarHBondContact SG-SG 3.01Å; Q760-C769 HydrophobicContact CB-CB 4.07Å; G767-C769 PolarHBondContact O-N 3.31Å; C769-M806 WeakPolarHBondContact O-CE 3.2Å |
| 770 | T | 71.6 | Confident | 71.4 | Confident | 27 Ų | 27 | 46.6 Ų | 46.6 | 17% | 0.166 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 141.5 | -175.7 | 51.7 | 0 | 0 | 0 | 0 | 110.8 | L761 L768 M806 | L761-T770 PolarHBondContact N-O 3.1Å; L761-T770 PolarHBondContact O-N 3.49Å; L761-T770 PolarHBondContact O-OG1 2.74Å; L768-T770 HydrophobicContact CD2-CG2 3.85Å; L768-T770 HydrophobicContact CG-CG2 3.88Å; L768-T770 PolarHBondContact O-N 3.24Å; T770-M806 HydrophobicContact CG2-SD 4.26Å |
| 771 | C | 74.3 | Confident | 70.9 | Confident | 2 Ų | 2 | 50.5 Ų | 50.5 | 1% | 0.014 | 29% | 0.291 | C | S | . | . | P | Polyproline II helix | trans | -71.6 | 159.4 | 168.4 | -62.1 | 0 | 0 | 0 | 0 | 111.4 | F775 G777 C780 P805 M806 | C771-F775 HydrophobicContact CB-CB 3.83Å; C771-F775 VanDerWaalsContact CB-O 3.27Å; C771-F775 WeakPolarHBondContact CB-O 3.49Å; C771-G777 PolarHBondContact SG-O 3.15Å; C771-C780 WeakPolarHBondContact CA-SG 3.23Å; C771-C780 HydrophobicContact CB-CB 3.77Å; C771-C780 WeakPolarHBondContact CB-SG 3.45Å; C771-C780 WeakPolarHBondContact SG-CA 3.36Å; C771-C780 WeakPolarHBondContact SG-CB 3.35Å; C771-C780 CovalentContact SG-SG 2.04Å; C771-C780 PolarHBondContact SG-SG 3.44Å; C771-P805 WeakPolarHBondContact O-CB 3.05Å; C771-M806 HydrophobicContact CB-CG 4.39Å |
| 772 | P | 66.8 | Low | 70 | Confident | 56 Ų | 56 | 50.5 Ų | 50.5 | 36% | 0.364 | 29% | 0.288 | S | S | . | . | P | Polyproline II helix | trans | -52.1 | 159.5 | 165.7 | -23.8 | 34.2 | 0 | 0 | 0 | 112.1 | L761 G774 F775 | L761-P772 HydrophobicContact CD1-CG 4.12Å; P772-G774 PolarHBondContact O-N 3.26Å; P772-F775 HydrophobicContact CB-CD2 3.94Å; P772-F775 PolarHBondContact O-N 3.07Å; P772-F775 VanDerWaalsContact O-N 3.11Å |
| 773 | A | 67.3 | Low | 68.6 | Low | 29 Ų | 29 | 53.5 Ų | 53.5 | 24% | 0.24 | 30% | 0.303 | C | S | . | . | B | Isolated β-bridge | trans | -60 | 135.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | F775 E822 | A773-F775 WeakPolarHBondContact O-CD2 3.37Å; A773-E822 HydrophobicContact CB-CB 4.14Å; A773-E822 HydrophobicContact CB-CG 4.39Å |
| 774 | G | 64.5 | Low | 67 | Low | 3 Ų | 3 | 56.5 Ų | 56.5 | 3% | 0.031 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 92.2 | -12.9 | -172.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | P772 G797 C798 G804 P821 | P772-G774 PolarHBondContact O-N 3.26Å; G774-G797 CarbonylContact O-C 3.14Å; G774-G797 VanDerWaalsContact O-CA 3.22Å; G774-G797 WeakPolarHBondContact O-CA 3.3Å; G774-C798 VanDerWaalsContact CA-SG 3.53Å; G774-C798 PolarHBondContact O-N 2.9Å; G774-C798 VanDerWaalsContact O-N 3.11Å; G774-G804 PolarHBondContact N-O 2.95Å; G774-G804 VanDerWaalsContact N-O 3.09Å; G774-P821 PolarHBondContact N-O 3.18Å |
| 775 | F | 71.8 | Confident | 65.5 | Low | 65 Ų | 65 | 60.8 Ų | 60.8 | 29% | 0.285 | 34% | 0.34 | S | S | . | . | trans | -115.8 | 151.8 | -172.6 | -65.2 | -98.8 | 0 | 0 | 0 | 113 | C771 P772 A773 C780 V796 M806 | C771-F775 HydrophobicContact CB-CB 3.83Å; C771-F775 VanDerWaalsContact CB-O 3.27Å; C771-F775 WeakPolarHBondContact CB-O 3.49Å; P772-F775 HydrophobicContact CB-CD2 3.94Å; P772-F775 PolarHBondContact O-N 3.07Å; P772-F775 VanDerWaalsContact O-N 3.11Å; A773-F775 WeakPolarHBondContact O-CD2 3.37Å; F775-C780 HydrophobicContact CB-CB 4.31Å; F775-V796 HydrophobicContact CD1-CB 4.45Å; F775-V796 HydrophobicContact CD1-CG1 3.54Å; F775-V796 HydrophobicContact CE1-CB 3.97Å; F775-V796 HydrophobicContact CE1-CG1 3.53Å; F775-M806 VanDerWaalsContact O-CA 3.29Å; F775-M806 WeakPolarHBondContact O-CA 3.33Å; F775-M806 PolarHBondContact O-N 3.42Å | ||
| 776 | M | 66.1 | Low | 63.8 | Low | 60 Ų | 60 | 65.1 Ų | 65.1 | 30% | 0.296 | 36% | 0.363 | S | S | . | . | B | Isolated β-bridge | trans | -151.9 | 162.4 | 179.3 | 63.6 | 169.9 | -78.9 | 0 | 0 | 114.3 | C780 N781 Q782 P799 | M776-C780 CarbonylContact O-C 3.5Å; M776-C780 WeakPolarHBondContact O-CA 3.07Å; M776-N781 PolarHBondContact O-N 3.16Å; M776-Q782 PolarHBondContact O-N 3.32Å; M776-Q782 VanDerWaalsContact O-N 3.13Å; M776-P799 HydrophobicContact SD-CG 3.95Å |
| 777 | G | 65.3 | Low | 61.8 | Low | 16 Ų | 16 | 66.5 Ų | 66.5 | 17% | 0.165 | 37% | 0.371 | C | S | . | . | S | Bend | trans | 104.7 | 172.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q760 C771 D779 C780 | Q760-G777 PolarHBondContact NE2-O 3.02Å; C771-G777 PolarHBondContact SG-O 3.15Å; G777-D779 PolarHBondContact O-N 3.23Å; G777-C780 PolarHBondContact O-N 3.13Å |
| 778 | H | 66.5 | Low | 59.6 | Low | 107 Ų | 107 | 77.1 Ų | 77.1 | 50% | 0.495 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -49.9 | 179.6 | -177.2 | -88.5 | 0 | 0 | 0 | 111.7 | P757 Q760 C780 | P757-H778 WeakPolarHBondContact CB-O 3.32Å; P757-H778 WeakPolarHBondContact CG-NE2 3.06Å; Q760-H778 PolarHBondContact NE2-O 3.13Å; H778-C780 VanDerWaalsContact C-N 3.32Å |
| 779 | D | 65.5 | Low | 57.4 | Low | 78 Ų | 78 | 80.5 Ų | 80.5 | 42% | 0.417 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | 18.1 | 179 | -44.1 | -50.8 | 0 | 0 | 0 | 112.1 | A759 G777 N781 | A759-D779 VanDerWaalsContact CB-C 3.45Å; A759-D779 VanDerWaalsContact CB-O 3.23Å; A759-D779 WeakPolarHBondContact CB-O 3.47Å; G777-D779 PolarHBondContact O-N 3.23Å; D779-N781 VanDerWaalsContact O-CG 3.26Å; D779-N781 PolarHBondContact O-N 3.01Å; D779-N781 PolarHBondContact O-ND2 3.23Å |
| 780 | C | 65 | Low | 55.4 | Low | 6 Ų | 6 | 85.1 Ų | 85.1 | 4% | 0.041 | 45% | 0.446 | C | S | . | . | S | Bend | trans | 54.9 | 3.8 | -172.3 | -61.7 | 0 | 0 | 0 | 0 | 117.3 | A759 Q760 C771 F775 M776 G777 H778 | A759-C780 HydrophobicContact CB-CB 4.12Å; A759-C780 PolarHBondContact O-SG 3.48Å; Q760-C780 WeakPolarHBondContact CG-SG 3.45Å; C771-C780 WeakPolarHBondContact CA-SG 3.23Å; C771-C780 HydrophobicContact CB-CB 3.77Å; C771-C780 WeakPolarHBondContact CB-SG 3.45Å; C771-C780 WeakPolarHBondContact SG-CA 3.36Å; C771-C780 WeakPolarHBondContact SG-CB 3.35Å; C771-C780 CovalentContact SG-SG 2.04Å; C771-C780 PolarHBondContact SG-SG 3.44Å; F775-C780 HydrophobicContact CB-CB 4.31Å; M776-C780 CarbonylContact O-C 3.5Å; M776-C780 WeakPolarHBondContact O-CA 3.07Å; G777-C780 PolarHBondContact O-N 3.13Å; H778-C780 VanDerWaalsContact C-N 3.32Å |
| 781 | N | 64.3 | Low | 53.6 | Low | 111 Ų | 111 | 91.8 Ų | 91.8 | 59% | 0.594 | 48% | 0.479 | S | S | * | . | B | Isolated β-bridge | trans | -112.3 | 13.1 | -174.9 | -63.1 | -30.7 | 0 | 0 | 0 | 113.3 | M776 D779 N783 | M776-N781 PolarHBondContact O-N 3.16Å; D779-N781 VanDerWaalsContact O-CG 3.26Å; D779-N781 PolarHBondContact O-N 3.01Å; D779-N781 PolarHBondContact O-ND2 3.23Å; N781-N783 PolarHBondContact O-N 2.84Å; N781-N783 VanDerWaalsContact O-N 3.12Å |
| 782 | Q | 53.6 | Low | 51.7 | Low | 100 Ų | 100 | 94.4 Ų | 94.4 | 47% | 0.467 | 51% | 0.506 | S | S | . | . | trans | -85.1 | 93 | -171.8 | -65.3 | -173.7 | -60.2 | 0 | 0 | 112.3 | M776 | M776-Q782 PolarHBondContact O-N 3.32Å; M776-Q782 VanDerWaalsContact O-N 3.13Å | ||
| 783 | N | 47.9 | Very low | 50.1 | Low | 80 Ų | 80 | 97.8 Ų | 97.8 | 43% | 0.428 | 53% | 0.526 | S | S | . | . | trans | -68.3 | 131.8 | 166.3 | -100.1 | -25.7 | 0 | 0 | 0 | 111.7 | N781 | N781-N783 PolarHBondContact O-N 2.84Å; N781-N783 VanDerWaalsContact O-N 3.12Å | ||
| 784 | L | 41.7 | Very low | 48.7 | Very low | 152 Ų | 152 | 100 Ų | 100 | 80% | 0.796 | 54% | 0.538 | S | S | * | . | trans | -122.9 | 75.1 | 160.7 | -96.8 | 116.6 | 0 | 0 | 0 | 109.9 | ||||
| 785 | I | 42.1 | Very low | 47.6 | Very low | 137 Ų | 137 | 107.2 Ų | 107.2 | 70% | 0.703 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -161.4 | 148.6 | 149.2 | -100.5 | 146.7 | 0 | 0 | 0 | 107.6 | C787 | I785-C787 PolarHBondContact O-N 3.46Š|
| 786 | T | 35.1 | Very low | 46.5 | Very low | 131 Ų | 131 | 107.5 Ų | 107.5 | 80% | 0.804 | 58% | 0.582 | S | S | * | * | trans | -68.6 | 123.4 | -167.1 | 46.8 | 0 | 0 | 0 | 0 | 113.9 | R788 | T786-R788 PolarHBondContact O-N 2.81Š| ||
| 787 | C | 36.1 | Very low | 46 | Very low | 90 Ų | 90 | 105.8 Ų | 105.8 | 61% | 0.608 | 58% | 0.58 | S | S | * | * | trans | -61.9 | 113.1 | 165.4 | -56 | 0 | 0 | 0 | 0 | 110.2 | I785 | I785-C787 PolarHBondContact O-N 3.46Š| ||
| 788 | R | 30.5 | Very low | 46 | Very low | 239 Ų | 239 | 106 Ų | 106 | 90% | 0.902 | 58% | 0.579 | S | S | * | * | trans | -89.3 | 140.6 | 168.6 | -153.2 | 166.7 | -172.4 | 154.2 | 2 | 109.2 | T786 | T786-R788 PolarHBondContact O-N 2.81Š| ||
| 789 | H | 30.9 | Very low | 46.1 | Very low | 177 Ų | 177 | 103.5 Ų | 103.5 | 82% | 0.819 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -67.4 | 164.6 | -162.1 | -78.9 | -138.3 | 0 | 0 | 0 | 114.9 | ||
| 790 | V | 37.2 | Very low | 46.3 | Very low | 122 Ų | 122 | 106 Ų | 106 | 74% | 0.739 | 59% | 0.59 | S | S | * | * | S | Bend | trans | 82 | 97.3 | 171.6 | -167.5 | 0 | 0 | 0 | 0 | 114.5 | G792 | V790-G792 PolarHBondContact O-N 3.34Š|
| 791 | I | 33.2 | Very low | 46.5 | Very low | 166 Ų | 166 | 109.8 Ų | 109.8 | 85% | 0.851 | 61% | 0.61 | S | S | * | * | S | Bend | trans | 66.2 | 1.1 | 163.4 | -50.5 | 168.5 | 0 | 0 | 0 | 115.3 | V793 | I791-V793 PolarHBondContact O-N 2.03Å; I791-V793 VanDerWaalsContact O-N 3.1Å |
| 792 | G | 35 | Very low | 47.2 | Very low | 57 Ų | 57 | 108.9 Ų | 108.9 | 59% | 0.588 | 60% | 0.599 | S | S | * | * | trans | -61.9 | 108.7 | 176 | 0 | 0 | 0 | 0 | 0 | 114.4 | V790 C794 | V790-G792 PolarHBondContact O-N 3.34Å; G792-C794 PolarHBondContact O-N 2.94Å | ||
| 793 | V | 32.8 | Very low | 48.5 | Very low | 128 Ų | 128 | 107.3 Ų | 107.3 | 78% | 0.776 | 59% | 0.589 | S | S | * | * | trans | -57.8 | 122.5 | 162.4 | 175 | 0 | 0 | 0 | 0 | 108.4 | I791 L795 | I791-V793 PolarHBondContact O-N 2.03Å; I791-V793 VanDerWaalsContact O-N 3.1Å; V793-L795 PolarHBondContact O-N 2.94Å | ||
| 794 | C | 37.6 | Very low | 49.6 | Very low | 74 Ų | 74 | 103.6 Ų | 103.6 | 50% | 0.5 | 57% | 0.569 | S | S | . | * | trans | -75.1 | 95.8 | 176.3 | -66.4 | 0 | 0 | 0 | 0 | 109.2 | G792 V796 | G792-C794 PolarHBondContact O-N 2.94Å; C794-V796 PolarHBondContact O-N 2.93Å | ||
| 795 | L | 40.5 | Very low | 51 | Low | 155 Ų | 155 | 99 Ų | 99 | 81% | 0.812 | 55% | 0.549 | S | S | * | . | trans | -61.8 | 107.4 | 169.7 | -76.2 | 170.4 | 0 | 0 | 0 | 108.7 | V793 G797 | V793-L795 PolarHBondContact O-N 2.94Å; L795-G797 PolarHBondContact O-N 3.19Å | ||
| 796 | V | 48.8 | Very low | 52.3 | Low | 71 Ų | 71 | 96 Ų | 96 | 43% | 0.43 | 53% | 0.532 | S | S | . | . | trans | -77.1 | 116.5 | 173.4 | -168.3 | 0 | 0 | 0 | 0 | 107 | F775 C794 | F775-V796 HydrophobicContact CD1-CB 4.45Å; F775-V796 HydrophobicContact CD1-CG1 3.54Å; F775-V796 HydrophobicContact CE1-CB 3.97Å; F775-V796 HydrophobicContact CE1-CG1 3.53Å; C794-V796 PolarHBondContact O-N 2.93Å | ||
| 797 | G | 55.8 | Low | 54 | Low | 24 Ų | 24 | 90 Ų | 90 | 25% | 0.247 | 50% | 0.496 | C | S | . | . | trans | -171.4 | 171.3 | -171.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | G774 L795 | G774-G797 CarbonylContact O-C 3.14Å; G774-G797 VanDerWaalsContact O-CA 3.22Å; G774-G797 WeakPolarHBondContact O-CA 3.3Å; L795-G797 PolarHBondContact O-N 3.19Å | ||
| 798 | C | 66.2 | Low | 55.9 | Low | 20 Ų | 20 | 88.8 Ų | 88.8 | 14% | 0.135 | 49% | 0.493 | C | S | . | . | P | Polyproline II helix | trans | -65.4 | 153.5 | 178.6 | -69.7 | 0 | 0 | 0 | 0 | 113.1 | G774 R802 C807 P821 | G774-C798 VanDerWaalsContact CA-SG 3.53Å; G774-C798 PolarHBondContact O-N 2.9Å; G774-C798 VanDerWaalsContact O-N 3.11Å; C798-R802 HydrophobicContact CB-CB 4.27Å; C798-R802 WeakPolarHBondContact CB-O 3.31Å; C798-C807 WeakPolarHBondContact CA-SG 3.05Å; C798-C807 HydrophobicContact CB-CB 3.67Å; C798-C807 WeakPolarHBondContact CB-SG 3.41Å; C798-C807 VanDerWaalsContact SG-CA 3.51Å; C798-C807 WeakPolarHBondContact SG-CB 3.45Å; C798-C807 CovalentContact SG-SG 2.03Å; C798-C807 PolarHBondContact SG-SG 3.03Å; C798-P821 HydrophobicContact CB-CB 4.23Å |
| 799 | P | 68.3 | Low | 58 | Low | 56 Ų | 56 | 82.7 Ų | 82.7 | 36% | 0.364 | 47% | 0.473 | S | S | . | . | S | Bend | trans | -51.1 | 150.6 | 163.1 | -24.8 | 34.7 | 0 | 0 | 0 | 111.3 | M776 N801 R802 | M776-P799 HydrophobicContact SD-CG 3.95Å; P799-N801 PolarHBondContact O-N 2.04Å; P799-R802 PolarHBondContact O-N 3.43Å |
| 800 | T | 69.8 | Low | 60.3 | Low | 129 Ų | 129 | 80.8 Ų | 80.8 | 79% | 0.791 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | 136.4 | -175.5 | 40.9 | 0 | 0 | 0 | 0 | 112.4 | R802 | T800-R802 VanDerWaalsContact C-N 3.32Å; T800-R802 PolarHBondContact O-N 2.9Å |
| 801 | N | 69.5 | Low | 62.2 | Low | 86 Ų | 86 | 75.7 Ų | 75.7 | 46% | 0.46 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.4 | 30.8 | -172.8 | -65.4 | -11.8 | 0 | 0 | 0 | 115.8 | P799 E810 C811 | P799-N801 PolarHBondContact O-N 2.04Å; N801-E810 WeakPolarHBondContact O-CA 3.21Å; N801-C811 HydrophobicContact CB-CB 4.29Å; N801-C811 PolarHBondContact O-N 3.09Å |
| 802 | R | 79.3 | Confident | 64.4 | Low | 93 Ų | 93 | 71.2 Ų | 71.2 | 35% | 0.351 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 153.2 | 165.8 | -64.8 | -173.4 | -175.5 | -76.9 | -14.5 | 113.3 | C798 P799 T800 C807 F809 E810 | C798-R802 HydrophobicContact CB-CB 4.27Å; C798-R802 WeakPolarHBondContact CB-O 3.31Å; P799-R802 PolarHBondContact O-N 3.43Å; T800-R802 VanDerWaalsContact C-N 3.32Å; T800-R802 PolarHBondContact O-N 2.9Å; R802-C807 HydrophobicContact CB-CB 4.13Å; R802-C807 WeakPolarHBondContact CD-O 3.42Å; R802-F809 CarbonylContact C-O 2.96Å; R802-F809 WeakPolarHBondContact CA-O 3.34Å; R802-E810 HydrophobicContact CG-CG 4.44Å; R802-E810 IonicContact CZ-OE1 3.85Å; R802-E810 VanDerWaalsContact CZ-OE1 3.3Å; R802-E810 IonicContact NH1-OE1 2.93Å; R802-E810 PolarHBondContact NH1-OE1 2.84Å; R802-E810 IonicContact NH2-OE1 3.19Å; R802-E810 PolarHBondContact NH2-OE1 2.97Å |
| 803 | Y | 80.9 | Confident | 66.6 | Low | 67 Ų | 67 | 69 Ų | 69 | 26% | 0.263 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 170.9 | -179.8 | 79.6 | -84 | 0 | 0 | 0 | 113.6 | C807 A808 F809 N820 P821 N823 G824 | Y803-C807 CarbonylContact O-C 3.58Å; Y803-C807 WeakPolarHBondContact O-CA 3.32Å; Y803-A808 PolarHBondContact O-N 3Å; Y803-F809 HydrophobicContact CD1-CB 3.78Å; Y803-F809 HydrophobicContact CE1-CB 3.45Å; Y803-F809 VanDerWaalsContact CE1-CB 3.45Å; Y803-F809 HydrophobicContact CE1-CG 4.48Å; Y803-F809 HydrophobicContact CE2-CB 4.26Å; Y803-F809 HydrophobicContact CE2-CD2 4.35Å; Y803-F809 HydrophobicContact CG-CB 4.33Å; Y803-F809 PolarHBondContact N-O 2.95Å; Y803-F809 PolarHBondContact O-N 2.8Å; Y803-N820 WeakPolarHBondContact CB-O 3.31Å; Y803-P821 CarbonylContact C-O 3.51Å; Y803-P821 VanDerWaalsContact CA-O 3.24Å; Y803-P821 WeakPolarHBondContact CA-O 3.47Å; Y803-P821 WeakPolarHBondContact CB-O 3.46Å; Y803-N823 WeakPolarHBondContact CE2-O 3.41Å; Y803-G824 VanDerWaalsContact CD2-CA 3.47Å |
| 804 | G | 69.3 | Low | 68.6 | Low | 2 Ų | 2 | 68.8 Ų | 68.8 | 2% | 0.021 | 39% | 0.386 | C | S | . | . | S | Bend | trans | 88.5 | -176.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | G774 M806 C807 P821 | G774-G804 PolarHBondContact N-O 2.95Å; G774-G804 VanDerWaalsContact N-O 3.09Å; G804-M806 PolarHBondContact O-N 3.49Å; G804-C807 PolarHBondContact O-N 2.88Å; G804-P821 PolarHBondContact N-O 2.81Å |
| 805 | P | 71.3 | Confident | 70 | Confident | 56 Ų | 56 | 69.2 Ų | 69.2 | 36% | 0.364 | 38% | 0.383 | S | S | . | . | B | Isolated β-bridge | trans | -62.4 | 131.1 | 178.2 | 26.3 | -34.2 | 0 | 0 | 0 | 110.4 | C771 C807 | C771-P805 WeakPolarHBondContact O-CB 3.05Å; P805-C807 PolarHBondContact O-N 3Å; P805-C807 VanDerWaalsContact O-N 3.1Å |
| 806 | M | 69.7 | Low | 71.2 | Confident | 72 Ų | 72 | 66.4 Ų | 66.4 | 36% | 0.355 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.6 | 19.9 | -171 | -66.9 | -178.7 | 149.6 | 0 | 0 | 114.7 | C769 T770 C771 F775 G804 A808 | C769-M806 WeakPolarHBondContact O-CE 3.2Å; T770-M806 HydrophobicContact CG2-SD 4.26Å; C771-M806 HydrophobicContact CB-CG 4.39Å; F775-M806 VanDerWaalsContact O-CA 3.29Å; F775-M806 WeakPolarHBondContact O-CA 3.33Å; F775-M806 PolarHBondContact O-N 3.42Å; G804-M806 PolarHBondContact O-N 3.49Å; M806-A808 PolarHBondContact O-N 2.84Å |
| 807 | C | 72.1 | Confident | 72.2 | Confident | 5 Ų | 5 | 63.3 Ų | 63.3 | 3% | 0.034 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 57.2 | 32.7 | 177.6 | -52.2 | 0 | 0 | 0 | 0 | 114 | C798 R802 Y803 G804 P805 F809 | C798-C807 WeakPolarHBondContact CA-SG 3.05Å; C798-C807 HydrophobicContact CB-CB 3.67Å; C798-C807 WeakPolarHBondContact CB-SG 3.41Å; C798-C807 VanDerWaalsContact SG-CA 3.51Å; C798-C807 WeakPolarHBondContact SG-CB 3.45Å; C798-C807 CovalentContact SG-SG 2.03Å; C798-C807 PolarHBondContact SG-SG 3.03Å; R802-C807 HydrophobicContact CB-CB 4.13Å; R802-C807 WeakPolarHBondContact CD-O 3.42Å; Y803-C807 CarbonylContact O-C 3.58Å; Y803-C807 WeakPolarHBondContact O-CA 3.32Å; G804-C807 PolarHBondContact O-N 2.88Å; P805-C807 PolarHBondContact O-N 3Å; P805-C807 VanDerWaalsContact O-N 3.1Å; C807-F809 VanDerWaalsContact C-N 3.32Å; C807-F809 PolarHBondContact O-N 3.33Å |
| 808 | A | 74.4 | Confident | 73 | Confident | 66 Ų | 66 | 65.7 Ų | 65.7 | 55% | 0.545 | 38% | 0.377 | S | S | . | . | trans | -69 | -23.2 | -169.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y803 M806 | Y803-A808 PolarHBondContact O-N 3Å; M806-A808 PolarHBondContact O-N 2.84Å | ||
| 809 | F | 76 | Confident | 73.6 | Confident | 110 Ų | 110 | 65.9 Ų | 65.9 | 48% | 0.482 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 142.8 | -172.3 | -53.6 | -71.4 | 0 | 0 | 0 | 111.7 | R802 Y803 C807 | R802-F809 CarbonylContact C-O 2.96Å; R802-F809 WeakPolarHBondContact CA-O 3.34Å; Y803-F809 HydrophobicContact CD1-CB 3.78Å; Y803-F809 HydrophobicContact CE1-CB 3.45Å; Y803-F809 VanDerWaalsContact CE1-CB 3.45Å; Y803-F809 HydrophobicContact CE1-CG 4.48Å; Y803-F809 HydrophobicContact CE2-CB 4.26Å; Y803-F809 HydrophobicContact CE2-CD2 4.35Å; Y803-F809 HydrophobicContact CG-CB 4.33Å; Y803-F809 PolarHBondContact N-O 2.95Å; Y803-F809 PolarHBondContact O-N 2.8Å; C807-F809 VanDerWaalsContact C-N 3.32Å; C807-F809 PolarHBondContact O-N 3.33Å |
| 810 | E | 78.2 | Confident | 73.9 | Confident | 137 Ų | 137 | 65.9 Ų | 65.9 | 64% | 0.64 | 38% | 0.375 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 140.4 | 173 | -71 | -179.7 | -173 | 0 | 0 | 111.4 | N801 R802 | N801-E810 WeakPolarHBondContact O-CA 3.21Å; R802-E810 HydrophobicContact CG-CG 4.44Å; R802-E810 IonicContact CZ-OE1 3.85Å; R802-E810 VanDerWaalsContact CZ-OE1 3.3Å; R802-E810 IonicContact NH1-OE1 2.93Å; R802-E810 PolarHBondContact NH1-OE1 2.84Å; R802-E810 IonicContact NH2-OE1 3.19Å; R802-E810 PolarHBondContact NH2-OE1 2.97Å |
| 811 | C | 77.5 | Confident | 73.9 | Confident | 15 Ų | 15 | 62.1 Ų | 62.1 | 10% | 0.101 | 35% | 0.353 | C | S | . | . | trans | -78.7 | 134 | 177.3 | -56.4 | 0 | 0 | 0 | 0 | 111.3 | N801 C813 C819 | N801-C811 HydrophobicContact CB-CB 4.29Å; N801-C811 PolarHBondContact O-N 3.09Å; C811-C813 HydrophobicContact CB-CB 4.45Å; C811-C813 PolarHBondContact O-N 3.39Å; C811-C819 HydrophobicContact CB-CB 3.62Å; C811-C819 WeakPolarHBondContact CB-SG 3.25Å; C811-C819 WeakPolarHBondContact SG-CB 3.43Å; C811-C819 CovalentContact SG-SG 2.03Å; C811-C819 PolarHBondContact SG-SG 3.37Å | ||
| 812 | A | 79.6 | Confident | 73.9 | Confident | 72 Ų | 72 | 64 Ų | 64 | 60% | 0.595 | 36% | 0.359 | S | S | * | . | trans | -74.9 | -3.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 813 | C | 80.2 | Confident | 73.6 | Confident | 12 Ų | 12 | 63.8 Ų | 63.8 | 8% | 0.081 | 37% | 0.365 | C | S | . | . | trans | -57 | 130.2 | -172.6 | -51.2 | 0 | 0 | 0 | 0 | 113.2 | C811 S817 C826 | C811-C813 HydrophobicContact CB-CB 4.45Å; C811-C813 PolarHBondContact O-N 3.39Å; C813-S817 WeakPolarHBondContact CB-OG 3.48Å; C813-C826 WeakPolarHBondContact CA-SG 3.34Å; C813-C826 HydrophobicContact CB-CB 3.89Å; C813-C826 WeakPolarHBondContact CB-SG 3.35Å; C813-C826 WeakPolarHBondContact SG-CB 3.05Å; C813-C826 CovalentContact SG-SG 2.04Å; C813-C826 PolarHBondContact SG-SG 3.06Å | ||
| 814 | K | 75 | Confident | 73.4 | Confident | 123 Ų | 123 | 61.3 Ų | 61.3 | 54% | 0.535 | 36% | 0.36 | S | S | . | . | trans | -110.5 | 179.5 | 177.8 | -63.4 | -64.8 | -176.1 | 176.5 | 0 | 111.3 | A816 S817 A836 T838 | K814-A816 VanDerWaalsContact C-N 3.25Å; K814-A816 PolarHBondContact O-N 3.44Å; K814-A816 VanDerWaalsContact O-N 3.09Å; K814-S817 WeakPolarHBondContact O-CB 3.36Å; K814-S817 PolarHBondContact O-N 3.35Å; K814-S817 VanDerWaalsContact O-N 3.11Å; K814-S817 PolarHBondContact O-OG 3.47Å; K814-A836 PolarHBondContact N-O 3.37Å; K814-T838 HydrophobicContact CB-CG2 3.79Å; K814-T838 HydrophobicContact CG-CG2 3.55Å | ||
| 815 | N | 68.6 | Low | 73.8 | Confident | 82 Ų | 82 | 64.9 Ų | 64.9 | 44% | 0.439 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.3 | 38 | 169.7 | -55.8 | -23.5 | 0 | 0 | 0 | 114.6 | S817 F832 C837 | N815-S817 PolarHBondContact O-N 3.07Å; N815-S817 VanDerWaalsContact O-N 3.11Å; N815-F832 WeakPolarHBondContact ND2-CD1 3.26Å; N815-F832 WeakPolarHBondContact ND2-CE1 3.22Å; N815-C837 PolarHBondContact ND2-O 3.26Å |
| 816 | A | 64.7 | Low | 74.3 | Confident | 97 Ų | 97 | 63.1 Ų | 63.1 | 80% | 0.802 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.6 | 14.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | K814 | K814-A816 VanDerWaalsContact C-N 3.25Å; K814-A816 PolarHBondContact O-N 3.44Å; K814-A816 VanDerWaalsContact O-N 3.09Å |
| 817 | S | 69.1 | Low | 74.4 | Confident | 5 Ų | 5 | 63.3 Ų | 63.3 | 4% | 0.035 | 38% | 0.375 | C | S | . | . | P | Polyproline II helix | trans | -65.5 | 139.3 | 176.7 | 63.8 | 0 | 0 | 0 | 0 | 112.5 | C813 K814 N815 T827 C837 | C813-S817 WeakPolarHBondContact CB-OG 3.48Å; K814-S817 WeakPolarHBondContact O-CB 3.36Å; K814-S817 PolarHBondContact O-N 3.35Å; K814-S817 VanDerWaalsContact O-N 3.11Å; K814-S817 PolarHBondContact O-OG 3.47Å; N815-S817 PolarHBondContact O-N 3.07Å; N815-S817 VanDerWaalsContact O-N 3.11Å; S817-T827 WeakPolarHBondContact CB-O 3.32Å; S817-C837 VanDerWaalsContact CB-SG 3.56Å; S817-C837 PolarHBondContact OG-SG 3.09Å |
| 818 | S | 72.7 | Confident | 74.8 | Confident | 74 Ų | 74 | 63.7 Ų | 63.7 | 52% | 0.517 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 138.3 | 179.4 | -26.1 | 0 | 0 | 0 | 0 | 111.9 | C826 T827 | S818-C826 CarbonylContact O-C 3.55Å; S818-C826 WeakPolarHBondContact O-CA 3Å; S818-T827 VanDerWaalsContact CB-OG1 3.25Å; S818-T827 WeakPolarHBondContact CB-OG1 3.49Å; S818-T827 PolarHBondContact N-O 3.39Å; S818-T827 PolarHBondContact O-N 3.01Å; S818-T827 PolarHBondContact O-OG1 2.03Å; S818-T827 PolarHBondContact OG-OG1 2.99Å |
| 819 | C | 79.1 | Confident | 75 | Confident | 25 Ų | 25 | 64 Ų | 64 | 17% | 0.169 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 137.1 | 171.1 | -174 | 0 | 0 | 0 | 0 | 111.1 | C811 P821 | C811-C819 HydrophobicContact CB-CB 3.62Å; C811-C819 WeakPolarHBondContact CB-SG 3.25Å; C811-C819 WeakPolarHBondContact SG-CB 3.43Å; C811-C819 CovalentContact SG-SG 2.03Å; C811-C819 PolarHBondContact SG-SG 3.37Å; C819-P821 WeakPolarHBondContact O-CD 3.34Å |
| 820 | N | 75 | Confident | 74.9 | Confident | 56 Ų | 56 | 60.9 Ų | 60.9 | 30% | 0.299 | 36% | 0.361 | S | S | . | . | P | Polyproline II helix | trans | -73.4 | 118.9 | 171.2 | -178.5 | -30.8 | 0 | 0 | 0 | 110.8 | Y803 E822 N823 G824 T825 | Y803-N820 WeakPolarHBondContact CB-O 3.31Å; N820-E822 VanDerWaalsContact C-N 3.28Å; N820-E822 PolarHBondContact O-N 3.15Å; N820-E822 PolarHBondContact OD1-N 3.23Å; N820-N823 VanDerWaalsContact CB-OD1 3.28Å; N820-N823 WeakPolarHBondContact CB-OD1 3.39Å; N820-N823 PolarHBondContact ND2-OD1 3.08Å; N820-G824 WeakPolarHBondContact O-CA 3.35Å; N820-G824 PolarHBondContact O-N 3.32Å; N820-T825 WeakPolarHBondContact CB-O 3.48Å; N820-T825 PolarHBondContact N-O 2.92Å |
| 821 | P | 70 | Confident | 74.8 | Confident | 50 Ų | 50 | 54.4 Ų | 54.4 | 33% | 0.325 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -20.7 | -176.9 | -23.7 | 35.4 | 0 | 0 | 0 | 115.7 | G774 C798 Y803 G804 C819 | G774-P821 PolarHBondContact N-O 3.18Å; C798-P821 HydrophobicContact CB-CB 4.23Å; Y803-P821 CarbonylContact C-O 3.51Å; Y803-P821 VanDerWaalsContact CA-O 3.24Å; Y803-P821 WeakPolarHBondContact CA-O 3.47Å; Y803-P821 WeakPolarHBondContact CB-O 3.46Å; G804-P821 PolarHBondContact N-O 2.81Å; C819-P821 WeakPolarHBondContact O-CD 3.34Å |
| 822 | E | 68.7 | Low | 75 | Confident | 126 Ų | 126 | 55.9 Ų | 55.9 | 59% | 0.589 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -49.3 | 179.8 | -65.8 | -163.9 | 154.1 | 0 | 0 | 112.2 | A773 N820 | A773-E822 HydrophobicContact CB-CB 4.14Å; A773-E822 HydrophobicContact CB-CG 4.39Å; N820-E822 VanDerWaalsContact C-N 3.28Å; N820-E822 PolarHBondContact O-N 3.15Å; N820-E822 PolarHBondContact OD1-N 3.23Å |
| 823 | N | 74.6 | Confident | 75.1 | Confident | 88 Ų | 88 | 56.1 Ų | 56.1 | 47% | 0.471 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.5 | -4.7 | -165.9 | 69.6 | 11 | 0 | 0 | 0 | 115.2 | Y803 N820 T825 | Y803-N823 WeakPolarHBondContact CE2-O 3.41Å; N820-N823 VanDerWaalsContact CB-OD1 3.28Å; N820-N823 WeakPolarHBondContact CB-OD1 3.39Å; N820-N823 PolarHBondContact ND2-OD1 3.08Å; N823-T825 PolarHBondContact O-N 3.33Å; N823-T825 PolarHBondContact OD1-N 3.39Å; N823-T825 VanDerWaalsContact OD1-N 3.1Å; N823-T825 PolarHBondContact OD1-OG1 3.4Å; N823-T825 VanDerWaalsContact OD1-OG1 3.09Å |
| 824 | G | 75.7 | Confident | 75 | Confident | 15 Ų | 15 | 56.8 Ų | 56.8 | 16% | 0.155 | 33% | 0.331 | C | S | . | . | trans | 79.4 | 8.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | Y803 N820 | Y803-G824 VanDerWaalsContact CD2-CA 3.47Å; N820-G824 WeakPolarHBondContact O-CA 3.35Å; N820-G824 PolarHBondContact O-N 3.32Å | ||
| 825 | T | 76.8 | Confident | 75.1 | Confident | 76 Ų | 76 | 57.6 Ų | 57.6 | 47% | 0.466 | 35% | 0.346 | S | S | . | . | trans | -71.3 | 138.5 | 177 | 61.8 | 0 | 0 | 0 | 0 | 111.7 | N820 N823 | N820-T825 WeakPolarHBondContact CB-O 3.48Å; N820-T825 PolarHBondContact N-O 2.92Å; N823-T825 PolarHBondContact O-N 3.33Å; N823-T825 PolarHBondContact OD1-N 3.39Å; N823-T825 VanDerWaalsContact OD1-N 3.1Å; N823-T825 PolarHBondContact OD1-OG1 3.4Å; N823-T825 VanDerWaalsContact OD1-OG1 3.09Å | ||
| 826 | C | 81.8 | Confident | 75.6 | Confident | 19 Ų | 19 | 54.6 Ų | 54.6 | 13% | 0.128 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 129.5 | 178.7 | -49.5 | 0 | 0 | 0 | 0 | 110.8 | C813 S818 T835 C837 | C813-C826 WeakPolarHBondContact CA-SG 3.34Å; C813-C826 HydrophobicContact CB-CB 3.89Å; C813-C826 WeakPolarHBondContact CB-SG 3.35Å; C813-C826 WeakPolarHBondContact SG-CB 3.05Å; C813-C826 CovalentContact SG-SG 2.04Å; C813-C826 PolarHBondContact SG-SG 3.06Å; S818-C826 CarbonylContact O-C 3.55Å; S818-C826 WeakPolarHBondContact O-CA 3Å; C826-T835 PolarHBondContact SG-O 2.85Å; C826-T835 VanDerWaalsContact SG-O 3.42Å; C826-C837 VanDerWaalsContact CB-SG 3.51Å |
| 827 | T | 73.6 | Confident | 76.4 | Confident | 76 Ų | 76 | 50 Ų | 50 | 47% | 0.466 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 104.5 | 166.9 | 58.3 | 0 | 0 | 0 | 0 | 109 | S817 S818 | S817-T827 WeakPolarHBondContact CB-O 3.32Å; S818-T827 VanDerWaalsContact CB-OG1 3.25Å; S818-T827 WeakPolarHBondContact CB-OG1 3.49Å; S818-T827 PolarHBondContact N-O 3.39Å; S818-T827 PolarHBondContact O-N 3.01Å; S818-T827 PolarHBondContact O-OG1 2.03Å; S818-T827 PolarHBondContact OG-OG1 2.99Å |
| 828 | C | 80.5 | Confident | 77 | Confident | 13 Ų | 13 | 53.4 Ų | 53.4 | 9% | 0.088 | 32% | 0.316 | C | S | . | . | P | Polyproline II helix | trans | -70.7 | 140.3 | -177.8 | -47.9 | 0 | 0 | 0 | 0 | 112 | F832 C837 | C828-F832 HydrophobicContact CB-CB 4.34Å; C828-F832 WeakPolarHBondContact CB-O 3.4Å; C828-C837 WeakPolarHBondContact CA-SG 3.06Å; C828-C837 HydrophobicContact CB-CB 3.69Å; C828-C837 WeakPolarHBondContact CB-SG 3.42Å; C828-C837 PolarHBondContact N-SG 3.2Å; C828-C837 VanDerWaalsContact N-SG 3.38Å; C828-C837 WeakPolarHBondContact SG-CA 3.47Å; C828-C837 WeakPolarHBondContact SG-CB 2.96Å; C828-C837 CovalentContact SG-SG 2.04Å; C828-C837 PolarHBondContact SG-SG 3.41Å |
| 829 | N | 77.6 | Confident | 77.4 | Confident | 73 Ų | 73 | 54.5 Ų | 54.5 | 39% | 0.39 | 31% | 0.312 | S | S | . | . | P | Polyproline II helix | trans | -65.5 | 160.2 | 168.5 | -64 | 35 | 0 | 0 | 0 | 110.4 | F832 | N829-F832 PolarHBondContact O-N 2.03Š|
| 830 | P | 74 | Confident | 77.5 | Confident | 44 Ų | 44 | 61 Ų | 61 | 29% | 0.286 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -46.1 | 144.6 | 170.2 | -29.9 | 35.1 | 0 | 0 | 0 | 112.8 | F832 D848 E865 | P830-F832 VanDerWaalsContact C-N 3.31Å; P830-F832 PolarHBondContact O-N 3.02Å; P830-D848 WeakPolarHBondContact CD-OD1 3.01Å; P830-D848 WeakPolarHBondContact CG-OD1 3.42Å; P830-E865 HydrophobicContact CB-CB 4.3Å |
| 831 | G | 76.6 | Confident | 77.9 | Confident | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.01 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 84.4 | -7.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | R840 C841 G847 P864 | G831-R840 WeakPolarHBondContact O-CA 3.48Å; G831-R840 WeakPolarHBondContact O-CG 3.42Å; G831-C841 WeakPolarHBondContact CA-SG 3.39Å; G831-C841 PolarHBondContact O-N 3.3Å; G831-C841 PolarHBondContact O-SG 3.02Å; G831-C841 VanDerWaalsContact O-SG 3.4Å; G831-G847 PolarHBondContact N-O 3.1Å; G831-P864 VanDerWaalsContact CA-O 3.26Å; G831-P864 WeakPolarHBondContact CA-O 3.48Å; G831-P864 PolarHBondContact N-O 3.43Å |
| 832 | F | 81.8 | Confident | 78.4 | Confident | 47 Ų | 47 | 59 Ų | 59 | 21% | 0.206 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 151.2 | -180 | -63.5 | -87.5 | 0 | 0 | 0 | 113.9 | N815 C828 N829 P830 E839 R840 | N815-F832 WeakPolarHBondContact ND2-CD1 3.26Å; N815-F832 WeakPolarHBondContact ND2-CE1 3.22Å; C828-F832 HydrophobicContact CB-CB 4.34Å; C828-F832 WeakPolarHBondContact CB-O 3.4Å; N829-F832 PolarHBondContact O-N 2.03Å; P830-F832 VanDerWaalsContact C-N 3.31Å; P830-F832 PolarHBondContact O-N 3.02Å; F832-E839 CarbonylContact C-O 3.47Å; F832-E839 VanDerWaalsContact CA-O 3.3Å; F832-E839 WeakPolarHBondContact CA-O 3.09Å; F832-R840 HydrophobicContact CD1-CB 4.39Å; F832-R840 HydrophobicContact CE1-CB 4.24Å; F832-R840 HydrophobicContact CE1-CG 4.35Å |
| 833 | Y | 82.1 | Confident | 78.8 | Confident | 76 Ų | 76 | 59.8 Ų | 59.8 | 30% | 0.298 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | -174.7 | 175.2 | 77.7 | -78.6 | 0 | 0 | 0 | 111.7 | C837 E839 R840 C850 | Y833-C837 CarbonylContact O-C 3.48Å; Y833-C837 WeakPolarHBondContact O-CA 3.01Å; Y833-E839 HydrophobicContact CD1-CB 3.98Å; Y833-E839 WeakPolarHBondContact CD1-O 3.41Å; Y833-E839 HydrophobicContact CD2-CB 4.44Å; Y833-E839 HydrophobicContact CE1-CB 3.56Å; Y833-E839 HydrophobicContact CE2-CB 4.01Å; Y833-E839 VanDerWaalsContact CE2-OE2 3.26Å; Y833-E839 WeakPolarHBondContact CE2-OE2 3.46Å; Y833-E839 HydrophobicContact CG-CB 4.4Å; Y833-E839 PolarHBondContact N-O 3.31Å; Y833-E839 PolarHBondContact O-N 3.27Å; Y833-E839 PolarHBondContact OH-OE2 3.32Å; Y833-R840 WeakPolarHBondContact CE1-O 3.46Å; Y833-C850 VanDerWaalsContact CD1-SG 3.56Å |
| 834 | G | 77.9 | Confident | 79 | Confident | 27 Ų | 27 | 57.2 Ų | 57.2 | 28% | 0.278 | 33% | 0.334 | S | S | . | . | S | Bend | trans | 90.8 | 161.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | A836 C837 | G834-A836 PolarHBondContact O-N 3.41Å; G834-A836 VanDerWaalsContact O-N 3.11Å; G834-C837 PolarHBondContact O-N 3.35Å |
| 835 | T | 76.4 | Confident | 79.5 | Confident | 140 Ų | 140 | 61.6 Ų | 61.6 | 86% | 0.859 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -20.3 | -171.4 | 49.4 | 0 | 0 | 0 | 0 | 114.7 | C826 | C826-T835 PolarHBondContact SG-O 2.85Å; C826-T835 VanDerWaalsContact SG-O 3.42Å |
| 836 | A | 78.9 | Confident | 79.9 | Confident | 19 Ų | 19 | 60.3 Ų | 60.3 | 16% | 0.157 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.8 | 7.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | K814 G834 T838 | K814-A836 PolarHBondContact N-O 3.37Å; G834-A836 PolarHBondContact O-N 3.41Å; G834-A836 VanDerWaalsContact O-N 3.11Å; A836-T838 HydrophobicContact CB-CG2 4.11Å; A836-T838 PolarHBondContact O-N 2.78Å |
| 837 | C | 81.8 | Confident | 79.8 | Confident | 1 Ų | 1 | 59.6 Ų | 59.6 | 1% | 0.007 | 33% | 0.329 | C | S | . | . | S | Bend | trans | 56.6 | 27.7 | -175.4 | -54 | 0 | 0 | 0 | 0 | 115 | N815 S817 C826 C828 Y833 G834 | N815-C837 PolarHBondContact ND2-O 3.26Å; S817-C837 VanDerWaalsContact CB-SG 3.56Å; S817-C837 PolarHBondContact OG-SG 3.09Å; C826-C837 VanDerWaalsContact CB-SG 3.51Å; C828-C837 WeakPolarHBondContact CA-SG 3.06Å; C828-C837 HydrophobicContact CB-CB 3.69Å; C828-C837 WeakPolarHBondContact CB-SG 3.42Å; C828-C837 PolarHBondContact N-SG 3.2Å; C828-C837 VanDerWaalsContact N-SG 3.38Å; C828-C837 WeakPolarHBondContact SG-CA 3.47Å; C828-C837 WeakPolarHBondContact SG-CB 2.96Å; C828-C837 CovalentContact SG-SG 2.04Å; C828-C837 PolarHBondContact SG-SG 3.41Å; Y833-C837 CarbonylContact O-C 3.48Å; Y833-C837 WeakPolarHBondContact O-CA 3.01Å; G834-C837 PolarHBondContact O-N 3.35Å |
| 838 | T | 80.7 | Confident | 79.9 | Confident | 76 Ų | 76 | 60.7 Ų | 60.7 | 47% | 0.466 | 33% | 0.332 | S | S | . | . | trans | -86.4 | -24.4 | -178.9 | 41.5 | 0 | 0 | 0 | 0 | 114.2 | K814 A836 | K814-T838 HydrophobicContact CB-CG2 3.79Å; K814-T838 HydrophobicContact CG-CG2 3.55Å; A836-T838 HydrophobicContact CB-CG2 4.11Å; A836-T838 PolarHBondContact O-N 2.78Å | ||
| 839 | E | 82.8 | Confident | 79.5 | Confident | 96 Ų | 96 | 65.2 Ų | 65.2 | 45% | 0.449 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 125 | -174 | -67.4 | 174.8 | -133.4 | 0 | 0 | 109.7 | F832 Y833 | F832-E839 CarbonylContact C-O 3.47Å; F832-E839 VanDerWaalsContact CA-O 3.3Å; F832-E839 WeakPolarHBondContact CA-O 3.09Å; Y833-E839 HydrophobicContact CD1-CB 3.98Å; Y833-E839 WeakPolarHBondContact CD1-O 3.41Å; Y833-E839 HydrophobicContact CD2-CB 4.44Å; Y833-E839 HydrophobicContact CE1-CB 3.56Å; Y833-E839 HydrophobicContact CE2-CB 4.01Å; Y833-E839 VanDerWaalsContact CE2-OE2 3.26Å; Y833-E839 WeakPolarHBondContact CE2-OE2 3.46Å; Y833-E839 HydrophobicContact CG-CB 4.4Å; Y833-E839 PolarHBondContact N-O 3.31Å; Y833-E839 PolarHBondContact O-N 3.27Å; Y833-E839 PolarHBondContact OH-OE2 3.32Å |
| 840 | R | 81.3 | Confident | 79.6 | Confident | 163 Ų | 163 | 62 Ų | 62 | 62% | 0.615 | 34% | 0.335 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 144.7 | 175.3 | -165.3 | 178.4 | -167.4 | -179.8 | 2.1 | 109.4 | G831 F832 Y833 | G831-R840 WeakPolarHBondContact O-CA 3.48Å; G831-R840 WeakPolarHBondContact O-CG 3.42Å; F832-R840 HydrophobicContact CD1-CB 4.39Å; F832-R840 HydrophobicContact CE1-CB 4.24Å; F832-R840 HydrophobicContact CE1-CG 4.35Å; Y833-R840 WeakPolarHBondContact CE1-O 3.46Å |
| 841 | C | 83 | Confident | 79.8 | Confident | 13 Ų | 13 | 66.3 Ų | 66.3 | 9% | 0.088 | 35% | 0.353 | C | S | . | . | P | Polyproline II helix | trans | -48.2 | 135 | -175.7 | -65.4 | 0 | 0 | 0 | 0 | 113.3 | G831 R845 C850 P864 | G831-C841 WeakPolarHBondContact CA-SG 3.39Å; G831-C841 PolarHBondContact O-N 3.3Å; G831-C841 PolarHBondContact O-SG 3.02Å; G831-C841 VanDerWaalsContact O-SG 3.4Å; C841-R845 WeakPolarHBondContact CB-O 3.39Å; C841-C850 WeakPolarHBondContact CA-SG 3.37Å; C841-C850 HydrophobicContact CB-CB 3.69Å; C841-C850 WeakPolarHBondContact CB-SG 3.2Å; C841-C850 VanDerWaalsContact SG-CA 3.55Å; C841-C850 WeakPolarHBondContact SG-CB 3.02Å; C841-C850 CovalentContact SG-SG 2.02Å; C841-C850 PolarHBondContact SG-SG 3.39Å; C841-P864 HydrophobicContact CB-CB 4.26Å |
| 842 | P | 81 | Confident | 80 | Confident | 51 Ų | 51 | 70.7 Ų | 70.7 | 33% | 0.331 | 37% | 0.373 | S | S | . | . | P | Polyproline II helix | trans | -67.5 | 150.8 | 179.9 | 30.2 | -35.9 | 0 | 0 | 0 | 110.4 | G844 R845 | P842-G844 PolarHBondContact O-N 3.06Å; P842-R845 HydrophobicContact CG-CB 4.44Å; P842-R845 PolarHBondContact O-N 3.44Å; P842-R845 VanDerWaalsContact O-N 3.11Å |
| 843 | P | 77 | Confident | 79.8 | Confident | 141 Ų | 141 | 73.9 Ų | 73.9 | 92% | 0.916 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.3 | 129.2 | -177.8 | -29.4 | 35.9 | 0 | 0 | 0 | 113.1 | ||
| 844 | G | 78.3 | Confident | 79.8 | Confident | 35 Ų | 35 | 71.3 Ų | 71.3 | 36% | 0.361 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93.6 | 2.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | P842 L853 C854 | P842-G844 PolarHBondContact O-N 3.06Å; G844-L853 WeakPolarHBondContact O-CD1 2.99Å; G844-C854 WeakPolarHBondContact O-CB 3.4Å; G844-C854 PolarHBondContact O-N 3.01Å |
| 845 | R | 86.2 | Confident | 79.9 | Confident | 106 Ų | 106 | 73.4 Ų | 73.4 | 40% | 0.4 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 149.3 | 176.6 | -72.3 | 176.2 | 173 | -83.2 | -2.8 | 113 | C841 P842 C850 Q852 L853 | C841-R845 WeakPolarHBondContact CB-O 3.39Å; P842-R845 HydrophobicContact CG-CB 4.44Å; P842-R845 PolarHBondContact O-N 3.44Å; P842-R845 VanDerWaalsContact O-N 3.11Å; R845-C850 HydrophobicContact CB-CB 4.19Å; R845-C850 WeakPolarHBondContact CB-O 3.03Å; R845-C850 WeakPolarHBondContact CD-O 3.42Å; R845-C850 PolarHBondContact NH1-O 2.7Å; R845-Q852 CarbonylContact C-O 3.04Å; R845-Q852 VanDerWaalsContact CA-O 3.25Å; R845-Q852 WeakPolarHBondContact CA-O 3.25Å; R845-L853 HydrophobicContact CG-CD1 4.2Å |
| 846 | Y | 84.2 | Confident | 80.1 | Confident | 49 Ų | 49 | 68.1 Ų | 68.1 | 19% | 0.192 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 175 | -178.4 | 77.2 | -86.3 | 0 | 0 | 0 | 113 | C850 Q852 D863 P864 | Y846-C850 CarbonylContact O-C 3.5Å; Y846-C850 WeakPolarHBondContact O-CA 3.29Å; Y846-Q852 HydrophobicContact CD1-CB 3.91Å; Y846-Q852 HydrophobicContact CD2-CB 4.14Å; Y846-Q852 HydrophobicContact CE1-CB 3.62Å; Y846-Q852 HydrophobicContact CE2-CB 3.85Å; Y846-Q852 HydrophobicContact CE2-CG 4.36Å; Y846-Q852 HydrophobicContact CG-CB 4.16Å; Y846-Q852 PolarHBondContact N-O 2.85Å; Y846-Q852 WeakPolarHBondContact O-CB 3.43Å; Y846-Q852 PolarHBondContact O-N 3.05Å; Y846-Q852 VanDerWaalsContact O-N 3.1Å; Y846-Q852 PolarHBondContact OH-OE1 2.03Å; Y846-D863 WeakPolarHBondContact CB-O 3.44Å; Y846-P864 CarbonylContact C-O 3.33Å; Y846-P864 VanDerWaalsContact CA-O 3.23Å; Y846-P864 WeakPolarHBondContact CA-O 3.43Å; Y846-P864 WeakPolarHBondContact CB-O 3.03Å |
| 847 | G | 79.4 | Confident | 79.6 | Confident | 5 Ų | 5 | 72.1 Ų | 72.1 | 5% | 0.052 | 38% | 0.377 | C | S | . | . | S | Bend | trans | 80.7 | -167.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | G831 Q849 C850 P864 | G831-G847 PolarHBondContact N-O 3.1Å; G847-Q849 PolarHBondContact O-N 3.3Å; G847-C850 PolarHBondContact O-N 2.95Å; G847-P864 PolarHBondContact N-O 2.04Å |
| 848 | D | 76.8 | Confident | 78.9 | Confident | 98 Ų | 98 | 75.8 Ų | 75.8 | 52% | 0.524 | 40% | 0.397 | S | S | . | . | G | 310 helix | trans | -56.3 | 126 | 179.6 | -69.8 | -59.3 | 0 | 0 | 0 | 112 | P830 C850 M851 | P830-D848 WeakPolarHBondContact CD-OD1 3.01Å; P830-D848 WeakPolarHBondContact CG-OD1 3.42Å; D848-C850 PolarHBondContact O-N 3.02Å; D848-M851 PolarHBondContact O-N 2.85Å |
| 849 | Q | 71.5 | Confident | 78.1 | Confident | 109 Ų | 109 | 75.3 Ų | 75.3 | 51% | 0.509 | 41% | 0.407 | S | S | . | . | G | 310 helix | trans | 48.3 | 23.9 | -173.9 | -58.8 | -170.8 | -10.1 | 0 | 0 | 114.6 | G847 M851 | G847-Q849 PolarHBondContact O-N 3.3Å; Q849-M851 HydrophobicContact CB-CE 4.15Å; Q849-M851 HydrophobicContact CB-CG 4.2Å; Q849-M851 PolarHBondContact O-N 3.3Å |
| 850 | C | 81.1 | Confident | 77.6 | Confident | 6 Ų | 6 | 71.3 Ų | 71.3 | 4% | 0.041 | 39% | 0.391 | C | S | . | . | G | 310 helix | trans | 59.6 | 29.3 | 179.5 | -44.4 | 0 | 0 | 0 | 0 | 114.3 | Y833 C841 R845 Y846 G847 D848 | Y833-C850 VanDerWaalsContact CD1-SG 3.56Å; C841-C850 WeakPolarHBondContact CA-SG 3.37Å; C841-C850 HydrophobicContact CB-CB 3.69Å; C841-C850 WeakPolarHBondContact CB-SG 3.2Å; C841-C850 VanDerWaalsContact SG-CA 3.55Å; C841-C850 WeakPolarHBondContact SG-CB 3.02Å; C841-C850 CovalentContact SG-SG 2.02Å; C841-C850 PolarHBondContact SG-SG 3.39Å; R845-C850 HydrophobicContact CB-CB 4.19Å; R845-C850 WeakPolarHBondContact CB-O 3.03Å; R845-C850 WeakPolarHBondContact CD-O 3.42Å; R845-C850 PolarHBondContact NH1-O 2.7Å; Y846-C850 CarbonylContact O-C 3.5Å; Y846-C850 WeakPolarHBondContact O-CA 3.29Å; G847-C850 PolarHBondContact O-N 2.95Å; D848-C850 PolarHBondContact O-N 3.02Å |
| 851 | M | 77.8 | Confident | 77.2 | Confident | 133 Ų | 133 | 69.8 Ų | 69.8 | 66% | 0.655 | 40% | 0.395 | S | S | * | . | trans | -79.6 | -20.7 | -175.1 | -67.3 | -64.8 | 168.9 | 0 | 0 | 113.7 | D848 Q849 | D848-M851 PolarHBondContact O-N 2.85Å; Q849-M851 HydrophobicContact CB-CE 4.15Å; Q849-M851 HydrophobicContact CB-CG 4.2Å; Q849-M851 PolarHBondContact O-N 3.3Å | ||
| 852 | Q | 80.6 | Confident | 77.1 | Confident | 94 Ų | 94 | 70.6 Ų | 70.6 | 44% | 0.439 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 149 | 179.1 | -50.9 | -171.3 | 29.5 | 0 | 0 | 110.9 | R845 Y846 | R845-Q852 CarbonylContact C-O 3.04Å; R845-Q852 VanDerWaalsContact CA-O 3.25Å; R845-Q852 WeakPolarHBondContact CA-O 3.25Å; Y846-Q852 HydrophobicContact CD1-CB 3.91Å; Y846-Q852 HydrophobicContact CD2-CB 4.14Å; Y846-Q852 HydrophobicContact CE1-CB 3.62Å; Y846-Q852 HydrophobicContact CE2-CB 3.85Å; Y846-Q852 HydrophobicContact CE2-CG 4.36Å; Y846-Q852 HydrophobicContact CG-CB 4.16Å; Y846-Q852 PolarHBondContact N-O 2.85Å; Y846-Q852 WeakPolarHBondContact O-CB 3.43Å; Y846-Q852 PolarHBondContact O-N 3.05Å; Y846-Q852 VanDerWaalsContact O-N 3.1Å; Y846-Q852 PolarHBondContact OH-OE1 2.03Å |
| 853 | L | 77.6 | Confident | 77 | Confident | 113 Ų | 113 | 69.9 Ų | 69.9 | 59% | 0.592 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 125.9 | -176.2 | -165.6 | 78.9 | 0 | 0 | 0 | 110.4 | G844 R845 | G844-L853 WeakPolarHBondContact O-CD1 2.99Å; R845-L853 HydrophobicContact CG-CD1 4.2Å |
| 854 | C | 80.7 | Confident | 77 | Confident | 22 Ų | 22 | 64.3 Ų | 64.3 | 15% | 0.149 | 36% | 0.358 | C | S | . | . | trans | -63.3 | 148.8 | 177.8 | -64.9 | 0 | 0 | 0 | 0 | 111.9 | G844 C862 | G844-C854 WeakPolarHBondContact O-CB 3.4Å; G844-C854 PolarHBondContact O-N 3.01Å; C854-C862 HydrophobicContact CB-CB 3.57Å; C854-C862 WeakPolarHBondContact CB-SG 3.42Å; C854-C862 WeakPolarHBondContact SG-CB 3.06Å; C854-C862 CovalentContact SG-SG 2.03Å; C854-C862 PolarHBondContact SG-SG 3.24Å | ||
| 855 | T | 80.5 | Confident | 76.9 | Confident | 71 Ų | 71 | 68 Ų | 68 | 44% | 0.436 | 37% | 0.365 | S | S | . | . | trans | -128.3 | 24.2 | -177.6 | 68.4 | 0 | 0 | 0 | 0 | 114.4 | R879 | T855-R879 PolarHBondContact O-NE 3.11Å; T855-R879 PolarHBondContact OG1-NE 2.03Å; T855-R879 PolarHBondContact OG1-NH2 3.37Å | ||
| 856 | C | 81.3 | Confident | 76.6 | Confident | 30 Ų | 30 | 66.9 Ų | 66.9 | 20% | 0.203 | 37% | 0.367 | C | S | . | . | trans | -71.2 | 137.9 | 174.5 | -46.7 | 0 | 0 | 0 | 0 | 110.9 | G860 C869 | C856-G860 VanDerWaalsContact CB-O 3.23Å; C856-G860 WeakPolarHBondContact CB-O 3.04Å; C856-C869 WeakPolarHBondContact CA-SG 3.47Å; C856-C869 HydrophobicContact CB-CB 3.79Å; C856-C869 WeakPolarHBondContact CB-SG 3.28Å; C856-C869 VanDerWaalsContact SG-CA 3.52Å; C856-C869 WeakPolarHBondContact SG-CB 3.41Å; C856-C869 CovalentContact SG-SG 2.03Å; C856-C869 PolarHBondContact SG-SG 2.04Å | ||
| 857 | M | 67.5 | Low | 76.3 | Confident | 102 Ų | 102 | 65.2 Ų | 65.2 | 50% | 0.502 | 37% | 0.365 | S | S | . | . | trans | -102.8 | 171 | 177.4 | -56.6 | -172.9 | 73.4 | 0 | 0 | 110.1 | G859 G860 R879 | M857-G859 PolarHBondContact O-N 3.4Å; M857-G860 PolarHBondContact O-N 3.31Å; M857-R879 WeakPolarHBondContact CB-O 3.43Å; M857-R879 PolarHBondContact N-O 2.82Å | ||
| 858 | N | 67.1 | Low | 76.5 | Confident | 79 Ų | 79 | 68.8 Ų | 68.8 | 42% | 0.422 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.1 | 29 | 171.5 | -54.6 | -39.1 | 0 | 0 | 0 | 115.6 | W875 C880 | N858-W875 HydrophobicContact CB-CD2 3.83Å; N858-W875 HydrophobicContact CB-CE3 3.9Å; N858-W875 HydrophobicContact CB-CG 4.4Å; N858-W875 HydrophobicContact CB-CH2 4.28Å; N858-W875 HydrophobicContact CB-CZ2 4.21Å; N858-W875 HydrophobicContact CB-CZ3 4.13Å; N858-W875 VanDerWaalsContact ND2-CE3 3.35Å; N858-W875 WeakPolarHBondContact ND2-CZ3 3.37Å; N858-C880 PolarHBondContact ND2-O 3.17Å |
| 859 | G | 63.8 | Low | 76.7 | Confident | 65 Ų | 65 | 65.1 Ų | 65.1 | 67% | 0.67 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.6 | 8.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | M857 L861 | M857-G859 PolarHBondContact O-N 3.4Å; G859-L861 PolarHBondContact O-N 3.01Å |
| 860 | G | 74 | Confident | 77.1 | Confident | 12 Ų | 12 | 65.7 Ų | 65.7 | 12% | 0.124 | 37% | 0.37 | C | S | . | . | trans | -54.9 | 131.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | C856 M857 C862 H870 | C856-G860 VanDerWaalsContact CB-O 3.23Å; C856-G860 WeakPolarHBondContact CB-O 3.04Å; M857-G860 PolarHBondContact O-N 3.31Å; G860-C862 PolarHBondContact O-N 3.39Å; G860-H870 CarbonylContact C-O 3.27Å; G860-H870 WeakPolarHBondContact CA-O 3.34Å | ||
| 861 | L | 71.1 | Confident | 77 | Confident | 132 Ų | 132 | 65.8 Ų | 65.8 | 69% | 0.691 | 37% | 0.371 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 113.6 | -177.2 | -69.1 | 174.5 | 0 | 0 | 0 | 110.2 | G859 H870 | G859-L861 PolarHBondContact O-N 3.01Å; L861-H870 HydrophobicContact CB-CB 4.36Å; L861-H870 PolarHBondContact N-O 3.39Å; L861-H870 PolarHBondContact O-N 2.83Å |
| 862 | C | 82.3 | Confident | 76.8 | Confident | 29 Ų | 29 | 61.9 Ų | 61.9 | 20% | 0.196 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 129.4 | 177.1 | -175.6 | 0 | 0 | 0 | 0 | 111.4 | C854 G860 P864 T868 | C854-C862 HydrophobicContact CB-CB 3.57Å; C854-C862 WeakPolarHBondContact CB-SG 3.42Å; C854-C862 WeakPolarHBondContact SG-CB 3.06Å; C854-C862 CovalentContact SG-SG 2.03Å; C854-C862 PolarHBondContact SG-SG 3.24Å; G860-C862 PolarHBondContact O-N 3.39Å; C862-P864 WeakPolarHBondContact O-CD 3.32Å; C862-T868 CarbonylContact C-O 3.52Å; C862-T868 WeakPolarHBondContact CA-O 3.38Å |
| 863 | D | 78.8 | Confident | 76.6 | Confident | 37 Ų | 37 | 58.4 Ų | 58.4 | 20% | 0.198 | 35% | 0.348 | C | S | . | . | trans | -65.4 | 121 | 168.9 | -175.9 | -45.7 | 0 | 0 | 0 | 110.4 | Y846 E865 N866 G867 T868 | Y846-D863 WeakPolarHBondContact CB-O 3.44Å; D863-E865 VanDerWaalsContact C-N 3.27Å; D863-E865 PolarHBondContact O-N 2.96Å; D863-E865 WeakPolarHBondContact OD1-CA 3.48Å; D863-E865 WeakPolarHBondContact OD1-CB 3.5Å; D863-E865 PolarHBondContact OD1-N 3.15Å; D863-N866 WeakPolarHBondContact CB-OD1 3.17Å; D863-N866 VanDerWaalsContact CG-CG 3.45Å; D863-N866 PolarHBondContact OD1-N 2.89Å; D863-N866 PolarHBondContact OD1-ND2 2.03Å; D863-N866 PolarHBondContact OD2-ND2 2.83Å; D863-G867 VanDerWaalsContact O-CA 3.29Å; D863-G867 WeakPolarHBondContact O-CA 3.32Å; D863-G867 PolarHBondContact O-N 3.23Å; D863-T868 PolarHBondContact N-O 3.33Å | ||
| 864 | P | 76.7 | Confident | 76.3 | Confident | 24 Ų | 24 | 53 Ų | 53 | 16% | 0.156 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -21 | -178.8 | -26.3 | 37.6 | 0 | 0 | 0 | 115.9 | G831 C841 Y846 G847 C862 | G831-P864 VanDerWaalsContact CA-O 3.26Å; G831-P864 WeakPolarHBondContact CA-O 3.48Å; G831-P864 PolarHBondContact N-O 3.43Å; C841-P864 HydrophobicContact CB-CB 4.26Å; Y846-P864 CarbonylContact C-O 3.33Å; Y846-P864 VanDerWaalsContact CA-O 3.23Å; Y846-P864 WeakPolarHBondContact CA-O 3.43Å; Y846-P864 WeakPolarHBondContact CB-O 3.03Å; G847-P864 PolarHBondContact N-O 2.04Å; C862-P864 WeakPolarHBondContact O-CD 3.32Å |
| 865 | E | 75.4 | Confident | 76.3 | Confident | 111 Ų | 111 | 55.2 Ų | 55.2 | 52% | 0.519 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | -49.2 | -179.2 | -60.8 | -172.9 | -172.1 | 0 | 0 | 111.2 | P830 D863 | P830-E865 HydrophobicContact CB-CB 4.3Å; D863-E865 VanDerWaalsContact C-N 3.27Å; D863-E865 PolarHBondContact O-N 2.96Å; D863-E865 WeakPolarHBondContact OD1-CA 3.48Å; D863-E865 WeakPolarHBondContact OD1-CB 3.5Å; D863-E865 PolarHBondContact OD1-N 3.15Å |
| 866 | N | 80.3 | Confident | 76.1 | Confident | 83 Ų | 83 | 55.9 Ų | 55.9 | 44% | 0.444 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.7 | -10.1 | -169.6 | 62.8 | 59.5 | 0 | 0 | 0 | 115.6 | D863 T868 | D863-N866 WeakPolarHBondContact CB-OD1 3.17Å; D863-N866 VanDerWaalsContact CG-CG 3.45Å; D863-N866 PolarHBondContact OD1-N 2.89Å; D863-N866 PolarHBondContact OD1-ND2 2.03Å; D863-N866 PolarHBondContact OD2-ND2 2.83Å; N866-T868 VanDerWaalsContact C-N 3.35Å; N866-T868 PolarHBondContact O-N 3.16Å; N866-T868 WeakPolarHBondContact OD1-CB 3.35Å; N866-T868 VanDerWaalsContact OD1-CG2 3.27Å; N866-T868 WeakPolarHBondContact OD1-CG2 3.49Å; N866-T868 PolarHBondContact OD1-N 2.94Å; N866-T868 PolarHBondContact OD1-OG1 3.46Å |
| 867 | G | 78.8 | Confident | 76 | Confident | 15 Ų | 15 | 56 Ų | 56 | 16% | 0.155 | 33% | 0.326 | C | S | . | . | trans | 79.2 | 6.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | D863 | D863-G867 VanDerWaalsContact O-CA 3.29Å; D863-G867 WeakPolarHBondContact O-CA 3.32Å; D863-G867 PolarHBondContact O-N 3.23Å | ||
| 868 | T | 82.4 | Confident | 76.4 | Confident | 79 Ų | 79 | 55.5 Ų | 55.5 | 49% | 0.485 | 33% | 0.332 | S | S | . | . | trans | -68.7 | 152.3 | 175.6 | 58.5 | 0 | 0 | 0 | 0 | 112.2 | C862 D863 N866 | C862-T868 CarbonylContact C-O 3.52Å; C862-T868 WeakPolarHBondContact CA-O 3.38Å; D863-T868 PolarHBondContact N-O 3.33Å; N866-T868 VanDerWaalsContact C-N 3.35Å; N866-T868 PolarHBondContact O-N 3.16Å; N866-T868 WeakPolarHBondContact OD1-CB 3.35Å; N866-T868 VanDerWaalsContact OD1-CG2 3.27Å; N866-T868 WeakPolarHBondContact OD1-CG2 3.49Å; N866-T868 PolarHBondContact OD1-N 2.94Å; N866-T868 PolarHBondContact OD1-OG1 3.46Å | ||
| 869 | C | 82.1 | Confident | 76.7 | Confident | 22 Ų | 22 | 57.1 Ų | 57.1 | 15% | 0.149 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 113.8 | -172.3 | -61.5 | 0 | 0 | 0 | 0 | 112 | C856 | C856-C869 WeakPolarHBondContact CA-SG 3.47Å; C856-C869 HydrophobicContact CB-CB 3.79Å; C856-C869 WeakPolarHBondContact CB-SG 3.28Å; C856-C869 VanDerWaalsContact SG-CA 3.52Å; C856-C869 WeakPolarHBondContact SG-CB 3.41Å; C856-C869 CovalentContact SG-SG 2.03Å; C856-C869 PolarHBondContact SG-SG 2.04Å |
| 870 | H | 79.6 | Confident | 77.5 | Confident | 120 Ų | 120 | 54.1 Ų | 54.1 | 56% | 0.556 | 30% | 0.301 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 118.6 | 168.3 | -67.3 | -76 | 0 | 0 | 0 | 110.2 | G860 L861 | G860-H870 CarbonylContact C-O 3.27Å; G860-H870 WeakPolarHBondContact CA-O 3.34Å; L861-H870 HydrophobicContact CB-CB 4.36Å; L861-H870 PolarHBondContact N-O 3.39Å; L861-H870 PolarHBondContact O-N 2.83Å |
| 871 | C | 79 | Confident | 77.5 | Confident | 9 Ų | 9 | 56.8 Ų | 56.8 | 6% | 0.061 | 31% | 0.31 | C | S | . | . | P | Polyproline II helix | trans | -89.9 | 125.7 | -175.2 | -54.9 | 0 | 0 | 0 | 0 | 112 | W875 C880 | C871-W875 HydrophobicContact CB-CB 4.34Å; C871-C880 WeakPolarHBondContact CA-SG 3.41Å; C871-C880 HydrophobicContact CB-CB 3.72Å; C871-C880 WeakPolarHBondContact CB-SG 3.45Å; C871-C880 WeakPolarHBondContact SG-CA 3.21Å; C871-C880 WeakPolarHBondContact SG-CB 3.08Å; C871-C880 CovalentContact SG-SG 2.04Å; C871-C880 PolarHBondContact SG-SG 3.4Å |
| 872 | A | 73 | Confident | 77.8 | Confident | 50 Ų | 50 | 55.4 Ų | 55.4 | 41% | 0.413 | 30% | 0.3 | S | S | . | . | P | Polyproline II helix | trans | -58.5 | 154.5 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | W875 | A872-W875 PolarHBondContact O-N 3.25Š|
| 873 | A | 76.4 | Confident | 77.3 | Confident | 22 Ų | 22 | 60.2 Ų | 60.2 | 18% | 0.182 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.2 | 143.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | G890 E891 V908 | A873-G890 WeakPolarHBondContact CA-O 2.96Å; A873-E891 HydrophobicContact CB-CG 4.02Å; A873-V908 HydrophobicContact CB-CG1 3.69Å |
| 874 | G | 71.9 | Confident | 77.2 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 90.2 | -10.5 | -171 | 0 | 0 | 0 | 0 | 0 | 115 | M883 C884 G890 H907 | G874-M883 WeakPolarHBondContact O-CA 3.27Å; G874-C884 VanDerWaalsContact CA-SG 3.52Å; G874-C884 PolarHBondContact O-N 3.44Å; G874-C884 PolarHBondContact O-SG 3.33Å; G874-C884 VanDerWaalsContact O-SG 3.32Å; G874-G890 PolarHBondContact N-O 2.61Å; G874-H907 VanDerWaalsContact CA-O 3.28Å; G874-H907 WeakPolarHBondContact CA-O 3.4Å |
| 875 | W | 79.6 | Confident | 76.9 | Confident | 67 Ų | 67 | 63.2 Ų | 63.2 | 25% | 0.254 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 152 | -177.8 | -55.4 | 88.9 | 0 | 0 | 0 | 113 | N858 C871 A872 C880 H882 M883 | N858-W875 HydrophobicContact CB-CD2 3.83Å; N858-W875 HydrophobicContact CB-CE3 3.9Å; N858-W875 HydrophobicContact CB-CG 4.4Å; N858-W875 HydrophobicContact CB-CH2 4.28Å; N858-W875 HydrophobicContact CB-CZ2 4.21Å; N858-W875 HydrophobicContact CB-CZ3 4.13Å; N858-W875 VanDerWaalsContact ND2-CE3 3.35Å; N858-W875 WeakPolarHBondContact ND2-CZ3 3.37Å; C871-W875 HydrophobicContact CB-CB 4.34Å; A872-W875 PolarHBondContact O-N 3.25Å; W875-C880 HydrophobicContact CB-CB 4.29Å; W875-H882 CarbonylContact C-O 3.51Å; W875-H882 WeakPolarHBondContact CA-O 3.34Å; W875-M883 HydrophobicContact CE3-CB 4.26Å; W875-M883 HydrophobicContact CH2-CB 4.46Å; W875-M883 HydrophobicContact CZ3-CB 3.99Å |
| 876 | R | 77.9 | Confident | 76.3 | Confident | 86 Ų | 86 | 65.1 Ų | 65.1 | 33% | 0.325 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 168.4 | 175.5 | 73.8 | -179.2 | -168.9 | -164.5 | -2 | 110.9 | C880 E881 H882 E885 | R876-C880 CarbonylContact O-C 3.38Å; R876-E881 PolarHBondContact O-N 3.24Å; R876-H882 HydrophobicContact CG-CB 3.76Å; R876-H882 PolarHBondContact N-O 2.88Å; R876-H882 PolarHBondContact O-N 2.9Å; R876-E885 IonicContact CZ-OE1 3.16Å; R876-E885 IonicContact NH1-OE1 2.72Å; R876-E885 PolarHBondContact NH1-OE1 2.87Å; R876-E885 IonicContact NH2-OE1 2.7Å; R876-E885 PolarHBondContact NH2-OE1 2.85Å |
| 877 | G | 78 | Confident | 75.4 | Confident | 33 Ų | 33 | 65.9 Ų | 65.9 | 34% | 0.34 | 35% | 0.346 | S | S | . | . | S | Bend | trans | 111.7 | 171.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | R879 C880 E881 | G877-R879 PolarHBondContact O-N 2.99Å; G877-C880 PolarHBondContact O-N 3.23Å; G877-E881 WeakPolarHBondContact CA-OE2 3.4Å |
| 878 | S | 75.7 | Confident | 75.3 | Confident | 91 Ų | 91 | 66.2 Ų | 66.2 | 64% | 0.636 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -23 | -173.3 | 66.7 | 0 | 0 | 0 | 0 | 114.6 | E881 | S878-E881 PolarHBondContact N-OE1 3.14Å; S878-E881 PolarHBondContact N-OE2 3.11Å; S878-E881 PolarHBondContact OG-OE1 2.86Å |
| 879 | R | 73.6 | Confident | 75 | Confident | 113 Ų | 113 | 63.7 Ų | 63.7 | 43% | 0.426 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -133 | 14.2 | -177.8 | -65.4 | 172.2 | 132.7 | 168.8 | 2.2 | 111.5 | T855 M857 G877 E881 | T855-R879 PolarHBondContact O-NE 3.11Å; T855-R879 PolarHBondContact OG1-NE 2.03Å; T855-R879 PolarHBondContact OG1-NH2 3.37Å; M857-R879 WeakPolarHBondContact CB-O 3.43Å; M857-R879 PolarHBondContact N-O 2.82Å; G877-R879 PolarHBondContact O-N 2.99Å; R879-E881 VanDerWaalsContact C-N 3.3Å; R879-E881 VanDerWaalsContact C-OE2 3.3Å; R879-E881 WeakPolarHBondContact CA-OE2 3.39Å; R879-E881 PolarHBondContact N-OE2 3.06Å |
| 880 | C | 79.9 | Confident | 74.4 | Confident | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.007 | 32% | 0.324 | C | S | . | . | S | Bend | trans | 63.3 | 33.3 | -173.9 | -42.2 | 0 | 0 | 0 | 0 | 113.9 | N858 C871 W875 R876 G877 | N858-C880 PolarHBondContact ND2-O 3.17Å; C871-C880 WeakPolarHBondContact CA-SG 3.41Å; C871-C880 HydrophobicContact CB-CB 3.72Å; C871-C880 WeakPolarHBondContact CB-SG 3.45Å; C871-C880 WeakPolarHBondContact SG-CA 3.21Å; C871-C880 WeakPolarHBondContact SG-CB 3.08Å; C871-C880 CovalentContact SG-SG 2.04Å; C871-C880 PolarHBondContact SG-SG 3.4Å; W875-C880 HydrophobicContact CB-CB 4.29Å; R876-C880 CarbonylContact O-C 3.38Å; G877-C880 PolarHBondContact O-N 3.23Å |
| 881 | E | 74.7 | Confident | 73.9 | Confident | 69 Ų | 69 | 63.9 Ų | 63.9 | 32% | 0.322 | 33% | 0.329 | S | S | . | . | trans | -81.7 | -14.6 | -170.9 | 67.9 | -83 | -144.8 | 0 | 0 | 114.5 | R876 G877 S878 R879 | R876-E881 PolarHBondContact O-N 3.24Å; G877-E881 WeakPolarHBondContact CA-OE2 3.4Å; S878-E881 PolarHBondContact N-OE1 3.14Å; S878-E881 PolarHBondContact N-OE2 3.11Å; S878-E881 PolarHBondContact OG-OE1 2.86Å; R879-E881 VanDerWaalsContact C-N 3.3Å; R879-E881 VanDerWaalsContact C-OE2 3.3Å; R879-E881 WeakPolarHBondContact CA-OE2 3.39Å; R879-E881 PolarHBondContact N-OE2 3.06Å | ||
| 882 | H | 77.7 | Confident | 73.4 | Confident | 102 Ų | 102 | 68.2 Ų | 68.2 | 47% | 0.472 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 134.8 | 177.9 | -62.6 | -81.7 | 0 | 0 | 0 | 112.2 | W875 R876 | W875-H882 CarbonylContact C-O 3.51Å; W875-H882 WeakPolarHBondContact CA-O 3.34Å; R876-H882 HydrophobicContact CG-CB 3.76Å; R876-H882 PolarHBondContact N-O 2.88Å; R876-H882 PolarHBondContact O-N 2.9Å |
| 883 | M | 71 | Confident | 73.5 | Confident | 131 Ų | 131 | 66.4 Ų | 66.4 | 65% | 0.645 | 34% | 0.335 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 162.5 | 165.7 | 70.7 | -168.2 | -169.2 | 0 | 0 | 111.7 | G874 W875 | G874-M883 WeakPolarHBondContact O-CA 3.27Å; W875-M883 HydrophobicContact CE3-CB 4.26Å; W875-M883 HydrophobicContact CH2-CB 4.46Å; W875-M883 HydrophobicContact CZ3-CB 3.99Å |
| 884 | C | 77.4 | Confident | 73.4 | Confident | 12 Ų | 12 | 68.8 Ų | 68.8 | 8% | 0.081 | 36% | 0.362 | C | S | . | . | P | Polyproline II helix | trans | -65.6 | 152.1 | 173 | -65.2 | 0 | 0 | 0 | 0 | 113.7 | G874 C893 H907 | G874-C884 VanDerWaalsContact CA-SG 3.52Å; G874-C884 PolarHBondContact O-N 3.44Å; G874-C884 PolarHBondContact O-SG 3.33Å; G874-C884 VanDerWaalsContact O-SG 3.32Å; C884-C893 WeakPolarHBondContact CA-SG 3.37Å; C884-C893 HydrophobicContact CB-CB 3.77Å; C884-C893 WeakPolarHBondContact CB-SG 3.28Å; C884-C893 WeakPolarHBondContact SG-CA 3.35Å; C884-C893 WeakPolarHBondContact SG-CB 3.43Å; C884-C893 CovalentContact SG-SG 2.03Å; C884-C893 PolarHBondContact SG-SG 2.84Å; C884-H907 HydrophobicContact CB-CB 4.49Å |
| 885 | E | 69.7 | Low | 73.6 | Confident | 112 Ų | 112 | 76.8 Ų | 76.8 | 52% | 0.523 | 39% | 0.392 | S | S | . | . | P | Polyproline II helix | trans | -80 | 154.7 | 176.6 | -70.6 | 169.2 | -147.5 | 0 | 0 | 110.9 | R876 N887 T888 | R876-E885 IonicContact CZ-OE1 3.16Å; R876-E885 IonicContact NH1-OE1 2.72Å; R876-E885 PolarHBondContact NH1-OE1 2.87Å; R876-E885 IonicContact NH2-OE1 2.7Å; R876-E885 PolarHBondContact NH2-OE1 2.85Å; E885-N887 PolarHBondContact O-N 2.84Å; E885-T888 PolarHBondContact N-OG1 2.03Å; E885-T888 PolarHBondContact O-N 2.88Å; E885-T888 PolarHBondContact O-OG1 3.22Å |
| 886 | E | 62.7 | Low | 73.3 | Confident | 150 Ų | 150 | 83.2 Ų | 83.2 | 70% | 0.701 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | 133.8 | -173.5 | -70.2 | -161.3 | 125.7 | 0 | 0 | 112.6 | T888 K904 | E886-T888 VanDerWaalsContact C-N 3.3Å; E886-K904 IonicContact OE1-NZ 3.4Å; E886-K904 PolarHBondContact OE1-NZ 3.43Å |
| 887 | N | 62.8 | Low | 73 | Confident | 99 Ų | 99 | 80.3 Ų | 80.3 | 53% | 0.529 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.3 | 14.3 | -172.9 | -43.6 | -75.1 | 0 | 0 | 0 | 115.7 | E885 R896 C897 | E885-N887 PolarHBondContact O-N 2.84Å; N887-R896 VanDerWaalsContact O-CA 3.3Å; N887-R896 WeakPolarHBondContact O-CA 3.04Å; N887-C897 PolarHBondContact O-N 3.44Å; N887-C897 VanDerWaalsContact O-N 3.13Å |
| 888 | T | 77.1 | Confident | 72.5 | Confident | 23 Ų | 23 | 84.4 Ų | 84.4 | 14% | 0.141 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 147.3 | 169.3 | 66.5 | 0 | 0 | 0 | 0 | 112.9 | E885 E886 R895 R896 | E885-T888 PolarHBondContact N-OG1 2.03Å; E885-T888 PolarHBondContact O-N 2.88Å; E885-T888 PolarHBondContact O-OG1 3.22Å; E886-T888 VanDerWaalsContact C-N 3.3Å; T888-R895 CarbonylContact C-O 3.57Å; T888-R895 WeakPolarHBondContact CA-O 3.08Å; T888-R896 HydrophobicContact CG2-CG 4.24Å |
| 889 | F | 74.5 | Confident | 72.1 | Confident | 26 Ų | 26 | 81.7 Ų | 81.7 | 11% | 0.114 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 172.2 | -175.8 | 76.7 | -91 | 0 | 0 | 0 | 114.4 | C893 G894 R895 R896 H907 T909 G910 | F889-C893 CarbonylContact O-C 3.56Å; F889-C893 WeakPolarHBondContact O-CA 3.35Å; F889-G894 PolarHBondContact O-N 2.95Å; F889-R895 HydrophobicContact CD1-CB 3.71Å; F889-R895 HydrophobicContact CD2-CB 3.96Å; F889-R895 HydrophobicContact CE1-CB 3.45Å; F889-R895 VanDerWaalsContact CE1-CB 3.45Å; F889-R895 HydrophobicContact CE2-CB 3.7Å; F889-R895 VanDerWaalsContact CE2-CD 3.41Å; F889-R895 HydrophobicContact CE2-CG 4.18Å; F889-R895 HydrophobicContact CG-CB 3.98Å; F889-R895 HydrophobicContact CZ-CB 3.45Å; F889-R895 VanDerWaalsContact CZ-CB 3.45Å; F889-R895 HydrophobicContact CZ-CG 4.19Å; F889-R895 PolarHBondContact N-O 3.05Å; F889-R895 PolarHBondContact O-N 3.46Å; F889-R896 WeakPolarHBondContact CE1-O 3.48Å; F889-H907 WeakPolarHBondContact CA-O 3.44Å; F889-H907 WeakPolarHBondContact CB-O 3.05Å; F889-T909 VanDerWaalsContact CD2-O 3.29Å; F889-T909 WeakPolarHBondContact CD2-O 3.47Å; F889-T909 WeakPolarHBondContact CE2-O 3.43Å; F889-G910 VanDerWaalsContact CD1-CA 3.42Å; F889-G910 VanDerWaalsContact CD2-CA 3.46Å; F889-G910 VanDerWaalsContact CD2-N 3.28Å |
| 890 | G | 69.8 | Low | 71.9 | Confident | 8 Ų | 8 | 78.3 Ų | 78.3 | 8% | 0.082 | 41% | 0.407 | C | S | . | . | S | Bend | trans | 91.7 | -175 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | A873 G874 N892 C893 H907 V908 | A873-G890 WeakPolarHBondContact CA-O 2.96Å; G874-G890 PolarHBondContact N-O 2.61Å; G890-N892 PolarHBondContact O-N 2.82Å; G890-C893 PolarHBondContact O-N 2.88Å; G890-H907 PolarHBondContact N-O 3.24Å; G890-V908 WeakPolarHBondContact CA-O 3.3Å; G890-V908 PolarHBondContact N-O 2.83Å |
| 891 | E | 70.2 | Confident | 70.7 | Confident | 138 Ų | 138 | 86.4 Ų | 86.4 | 65% | 0.645 | 45% | 0.449 | S | S | * | . | G | 310 helix | trans | -62.5 | 129.1 | 175.1 | -66.4 | -156.4 | 158.2 | 0 | 0 | 110.8 | A873 C893 G894 | A873-E891 HydrophobicContact CB-CG 4.02Å; E891-C893 PolarHBondContact O-N 3.28Å; E891-G894 PolarHBondContact O-N 3.01Å |
| 892 | N | 67 | Low | 69.9 | Low | 99 Ų | 99 | 91.3 Ų | 91.3 | 53% | 0.529 | 48% | 0.477 | S | S | . | . | G | 310 helix | trans | 49.3 | 26.4 | -170.5 | -63.2 | -70 | 0 | 0 | 0 | 114.2 | G890 G894 | G890-N892 PolarHBondContact O-N 2.82Å; N892-G894 VanDerWaalsContact C-N 3.29Å; N892-G894 PolarHBondContact O-N 2.8Å |
| 893 | C | 75.5 | Confident | 69.2 | Low | 13 Ų | 13 | 88 Ų | 88 | 9% | 0.088 | 47% | 0.465 | C | S | . | . | G | 310 helix | trans | 62.9 | 25.9 | 175.1 | -42.5 | 0 | 0 | 0 | 0 | 115.3 | C884 F889 G890 E891 R895 | C884-C893 WeakPolarHBondContact CA-SG 3.37Å; C884-C893 HydrophobicContact CB-CB 3.77Å; C884-C893 WeakPolarHBondContact CB-SG 3.28Å; C884-C893 WeakPolarHBondContact SG-CA 3.35Å; C884-C893 WeakPolarHBondContact SG-CB 3.43Å; C884-C893 CovalentContact SG-SG 2.03Å; C884-C893 PolarHBondContact SG-SG 2.84Å; F889-C893 CarbonylContact O-C 3.56Å; F889-C893 WeakPolarHBondContact O-CA 3.35Å; G890-C893 PolarHBondContact O-N 2.88Å; E891-C893 PolarHBondContact O-N 3.28Å; C893-R895 PolarHBondContact O-N 3.43Å; C893-R895 VanDerWaalsContact O-N 3.09Å |
| 894 | G | 74.5 | Confident | 68.8 | Low | 71 Ų | 71 | 88.3 Ų | 88.3 | 73% | 0.732 | 46% | 0.462 | S | S | * | . | trans | -71 | 3 | -170.6 | 0 | 0 | 0 | 0 | 0 | 117.8 | F889 E891 N892 | F889-G894 PolarHBondContact O-N 2.95Å; E891-G894 PolarHBondContact O-N 3.01Å; N892-G894 VanDerWaalsContact C-N 3.29Å; N892-G894 PolarHBondContact O-N 2.8Å | ||
| 895 | R | 76.2 | Confident | 68.6 | Low | 168 Ų | 168 | 88.8 Ų | 88.8 | 63% | 0.634 | 47% | 0.465 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127 | 159.6 | -176.5 | -60.7 | -179.9 | 177.5 | -178.2 | 0.4 | 111.8 | T888 F889 C893 | T888-R895 CarbonylContact C-O 3.57Å; T888-R895 WeakPolarHBondContact CA-O 3.08Å; F889-R895 HydrophobicContact CD1-CB 3.71Å; F889-R895 HydrophobicContact CD2-CB 3.96Å; F889-R895 HydrophobicContact CE1-CB 3.45Å; F889-R895 VanDerWaalsContact CE1-CB 3.45Å; F889-R895 HydrophobicContact CE2-CB 3.7Å; F889-R895 VanDerWaalsContact CE2-CD 3.41Å; F889-R895 HydrophobicContact CE2-CG 4.18Å; F889-R895 HydrophobicContact CG-CB 3.98Å; F889-R895 HydrophobicContact CZ-CB 3.45Å; F889-R895 VanDerWaalsContact CZ-CB 3.45Å; F889-R895 HydrophobicContact CZ-CG 4.19Å; F889-R895 PolarHBondContact N-O 3.05Å; F889-R895 PolarHBondContact O-N 3.46Å; C893-R895 PolarHBondContact O-N 3.43Å; C893-R895 VanDerWaalsContact O-N 3.09Å |
| 896 | R | 73.4 | Confident | 68.6 | Low | 202 Ų | 202 | 85.3 Ų | 85.3 | 76% | 0.762 | 45% | 0.45 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 143.4 | 177.7 | -78.5 | -176.6 | 176.6 | -118.1 | -3 | 112.3 | N887 T888 F889 | N887-R896 VanDerWaalsContact O-CA 3.3Å; N887-R896 WeakPolarHBondContact O-CA 3.04Å; T888-R896 HydrophobicContact CG2-CG 4.24Å; F889-R896 WeakPolarHBondContact CE1-O 3.48Å |
| 897 | C | 71.3 | Confident | 68.9 | Low | 25 Ų | 25 | 82 Ų | 82 | 17% | 0.169 | 43% | 0.434 | C | S | . | . | trans | -80.5 | 156.2 | -177.8 | -51.7 | 0 | 0 | 0 | 0 | 113.6 | N887 C905 | N887-C897 PolarHBondContact O-N 3.44Å; N887-C897 VanDerWaalsContact O-N 3.13Å; C897-C905 HydrophobicContact CB-CB 3.55Å; C897-C905 WeakPolarHBondContact CB-SG 3.47Å; C897-C905 WeakPolarHBondContact SG-CB 3.39Å; C897-C905 CovalentContact SG-SG 2.03Å; C897-C905 PolarHBondContact SG-SG 3.35Å | ||
| 898 | S | 68.7 | Low | 69.3 | Low | 119 Ų | 119 | 79.9 Ų | 79.9 | 83% | 0.832 | 43% | 0.425 | S | S | * | . | trans | -130.8 | 40.3 | -176.6 | -59.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 899 | C | 67.6 | Low | 69.2 | Low | 35 Ų | 35 | 82.5 Ų | 82.5 | 24% | 0.236 | 44% | 0.441 | C | S | . | . | P | Polyproline II helix | trans | -85 | 157.4 | -172.7 | -55.4 | 0 | 0 | 0 | 0 | 114.4 | V903 C912 | C899-V903 HydrophobicContact CB-CB 4.17Å; C899-V903 HydrophobicContact CB-CG1 4.32Å; C899-V903 WeakPolarHBondContact CB-O 3.28Å; C899-C912 WeakPolarHBondContact CA-SG 3.42Å; C899-C912 HydrophobicContact CB-CB 3.87Å; C899-C912 WeakPolarHBondContact CB-SG 3.05Å; C899-C912 WeakPolarHBondContact SG-CA 3.4Å; C899-C912 WeakPolarHBondContact SG-CB 3.45Å; C899-C912 CovalentContact SG-SG 2.04Å; C899-C912 PolarHBondContact SG-SG 2.87Å |
| 900 | S | 67.6 | Low | 68.9 | Low | 42 Ų | 42 | 81.9 Ų | 81.9 | 29% | 0.294 | 44% | 0.442 | S | S | . | . | P | Polyproline II helix | trans | -55.4 | 150.6 | 169.8 | -64.9 | 0 | 0 | 0 | 0 | 113 | N902 V903 S922 | S900-N902 PolarHBondContact O-N 3.06Å; S900-V903 WeakPolarHBondContact O-CB 3.32Å; S900-V903 PolarHBondContact O-N 3.39Å; S900-S922 WeakPolarHBondContact CB-O 2.95Å; S900-S922 WeakPolarHBondContact OG-CA 3.15Å; S900-S922 WeakPolarHBondContact OG-CB 3.24Å; S900-S922 PolarHBondContact OG-O 2.99Å |
| 901 | L | 56.1 | Low | 68.9 | Low | 170 Ų | 170 | 86.5 Ų | 86.5 | 89% | 0.89 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | 130.3 | 179.6 | -77.3 | 164 | 0 | 0 | 0 | 111.7 | V903 | L901-V903 VanDerWaalsContact C-N 3.31Å; L901-V903 PolarHBondContact O-N 2.04Å |
| 902 | N | 57.4 | Low | 69 | Low | 172 Ų | 172 | 80.9 Ų | 80.9 | 92% | 0.92 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.4 | -0.6 | -171.8 | -57.6 | -38.7 | 0 | 0 | 0 | 117.4 | S900 | S900-N902 PolarHBondContact O-N 3.06Š|
| 903 | V | 63.1 | Low | 69.1 | Low | 34 Ų | 34 | 80.9 Ų | 80.9 | 21% | 0.206 | 44% | 0.436 | C | S | . | . | P | Polyproline II helix | trans | -88.7 | 118.6 | 169.9 | -176.7 | 0 | 0 | 0 | 0 | 109.6 | C899 S900 L901 C912 | C899-V903 HydrophobicContact CB-CB 4.17Å; C899-V903 HydrophobicContact CB-CG1 4.32Å; C899-V903 WeakPolarHBondContact CB-O 3.28Å; S900-V903 WeakPolarHBondContact O-CB 3.32Å; S900-V903 PolarHBondContact O-N 3.39Å; L901-V903 VanDerWaalsContact C-N 3.31Å; L901-V903 PolarHBondContact O-N 2.04Å; V903-C912 HydrophobicContact CG1-CB 3.87Å |
| 904 | K | 63.3 | Low | 68.8 | Low | 137 Ų | 137 | 80.7 Ų | 80.7 | 60% | 0.596 | 44% | 0.435 | S | S | * | . | P | Polyproline II helix | trans | -77.4 | 142 | 172.3 | -67.2 | -158 | 173.4 | -145.2 | 0 | 110.2 | E886 I913 | E886-K904 IonicContact OE1-NZ 3.4Å; E886-K904 PolarHBondContact OE1-NZ 3.43Å; K904-I913 WeakPolarHBondContact O-CB 3.04Å; K904-I913 WeakPolarHBondContact O-CG1 3.26Å; K904-I913 PolarHBondContact O-N 3.04Å |
| 905 | C | 71.3 | Confident | 68.4 | Low | 21 Ų | 21 | 80.5 Ų | 80.5 | 14% | 0.142 | 42% | 0.421 | C | S | . | . | B | Isolated β-bridge | trans | -86 | 157 | 167.4 | 57.1 | 0 | 0 | 0 | 0 | 112 | C897 E911 | C897-C905 HydrophobicContact CB-CB 3.55Å; C897-C905 WeakPolarHBondContact CB-SG 3.47Å; C897-C905 WeakPolarHBondContact SG-CB 3.39Å; C897-C905 CovalentContact SG-SG 2.03Å; C897-C905 PolarHBondContact SG-SG 3.35Å; C905-E911 CarbonylContact C-O 3.27Å; C905-E911 VanDerWaalsContact CA-O 3.23Å; C905-E911 WeakPolarHBondContact CA-O 3.23Å |
| 906 | D | 70 | Confident | 68.1 | Low | 40 Ų | 40 | 76.2 Ų | 76.2 | 21% | 0.214 | 42% | 0.415 | C | S | . | . | P | Polyproline II helix | trans | -72.2 | 139.4 | 162.6 | 177.5 | -107.7 | 0 | 0 | 0 | 111.5 | V908 T909 G910 E911 I913 | D906-V908 WeakPolarHBondContact OD1-CA 3.49Å; D906-V908 VanDerWaalsContact OD1-CB 3.23Å; D906-V908 WeakPolarHBondContact OD1-CB 3.47Å; D906-V908 PolarHBondContact OD1-N 3.46Å; D906-T909 PolarHBondContact OD1-N 3.43Å; D906-T909 PolarHBondContact OD1-OG1 2.92Å; D906-G910 WeakPolarHBondContact O-CA 3.28Å; D906-G910 PolarHBondContact O-N 3.12Å; D906-E911 PolarHBondContact N-O 2.88Å; D906-I913 HydrophobicContact CB-CD1 4.39Å; D906-I913 HydrophobicContact CB-CG1 4.46Å |
| 907 | H | 69.3 | Low | 67.9 | Low | 79 Ų | 79 | 67 Ų | 67 | 37% | 0.366 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -14.5 | -175.3 | 64 | -61.6 | 0 | 0 | 0 | 114 | G874 C884 F889 G890 | G874-H907 VanDerWaalsContact CA-O 3.28Å; G874-H907 WeakPolarHBondContact CA-O 3.4Å; C884-H907 HydrophobicContact CB-CB 4.49Å; F889-H907 WeakPolarHBondContact CA-O 3.44Å; F889-H907 WeakPolarHBondContact CB-O 3.05Å; G890-H907 PolarHBondContact N-O 3.24Å |
| 908 | V | 71 | Confident | 68.1 | Low | 56 Ų | 56 | 69.3 Ų | 69.3 | 34% | 0.339 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | -50.5 | 175.4 | -175.6 | 0 | 0 | 0 | 0 | 109.6 | A873 G890 D906 | A873-V908 HydrophobicContact CB-CG1 3.69Å; G890-V908 WeakPolarHBondContact CA-O 3.3Å; G890-V908 PolarHBondContact N-O 2.83Å; D906-V908 WeakPolarHBondContact OD1-CA 3.49Å; D906-V908 VanDerWaalsContact OD1-CB 3.23Å; D906-V908 WeakPolarHBondContact OD1-CB 3.47Å; D906-V908 PolarHBondContact OD1-N 3.46Å |
| 909 | T | 74.5 | Confident | 68.5 | Low | 78 Ų | 78 | 67.8 Ų | 67.8 | 48% | 0.479 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | -24 | -169.6 | 66.3 | 0 | 0 | 0 | 0 | 115 | F889 D906 E911 | F889-T909 VanDerWaalsContact CD2-O 3.29Å; F889-T909 WeakPolarHBondContact CD2-O 3.47Å; F889-T909 WeakPolarHBondContact CE2-O 3.43Å; D906-T909 PolarHBondContact OD1-N 3.43Å; D906-T909 PolarHBondContact OD1-OG1 2.92Å; T909-E911 VanDerWaalsContact C-N 3.29Å; T909-E911 WeakPolarHBondContact OG1-CB 3.44Å; T909-E911 PolarHBondContact OG1-N 3.16Å |
| 910 | G | 70.1 | Confident | 68.5 | Low | 12 Ų | 12 | 67.3 Ų | 67.3 | 12% | 0.124 | 37% | 0.368 | C | S | . | . | trans | 82.6 | -0.8 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | F889 D906 | F889-G910 VanDerWaalsContact CD1-CA 3.42Å; F889-G910 VanDerWaalsContact CD2-CA 3.46Å; F889-G910 VanDerWaalsContact CD2-N 3.28Å; D906-G910 WeakPolarHBondContact O-CA 3.28Å; D906-G910 PolarHBondContact O-N 3.12Å | ||
| 911 | E | 68.5 | Low | 68.5 | Low | 105 Ų | 105 | 74 Ų | 74 | 49% | 0.491 | 39% | 0.394 | S | S | . | . | trans | -70.2 | 142.4 | -177.3 | -169.6 | 176.3 | 171.1 | 0 | 0 | 111.7 | C905 D906 T909 | C905-E911 CarbonylContact C-O 3.27Å; C905-E911 VanDerWaalsContact CA-O 3.23Å; C905-E911 WeakPolarHBondContact CA-O 3.23Å; D906-E911 PolarHBondContact N-O 2.88Å; T909-E911 VanDerWaalsContact C-N 3.29Å; T909-E911 WeakPolarHBondContact OG1-CB 3.44Å; T909-E911 PolarHBondContact OG1-N 3.16Å | ||
| 912 | C | 72.9 | Confident | 69 | Low | 20 Ų | 20 | 68.3 Ų | 68.3 | 14% | 0.135 | 37% | 0.368 | C | S | . | . | B | Isolated β-bridge | trans | -79.6 | 124.2 | -177.2 | -57.9 | 0 | 0 | 0 | 0 | 111.1 | C899 V903 C914 E921 | C899-C912 WeakPolarHBondContact CA-SG 3.42Å; C899-C912 HydrophobicContact CB-CB 3.87Å; C899-C912 WeakPolarHBondContact CB-SG 3.05Å; C899-C912 WeakPolarHBondContact SG-CA 3.4Å; C899-C912 WeakPolarHBondContact SG-CB 3.45Å; C899-C912 CovalentContact SG-SG 2.04Å; C899-C912 PolarHBondContact SG-SG 2.87Å; V903-C912 HydrophobicContact CG1-CB 3.87Å; C912-C914 PolarHBondContact O-N 3.49Å; C912-C914 PolarHBondContact O-SG 3.35Å; C912-C914 VanDerWaalsContact O-SG 3.4Å; C912-E921 PolarHBondContact SG-O 2.88Å |
| 913 | I | 68.2 | Low | 69.6 | Low | 99 Ų | 99 | 60.6 Ų | 60.6 | 51% | 0.508 | 33% | 0.328 | S | S | . | . | trans | -80.6 | 83.4 | -172.7 | -54.4 | 171.9 | 0 | 0 | 0 | 109.7 | K904 D906 | K904-I913 WeakPolarHBondContact O-CB 3.04Å; K904-I913 WeakPolarHBondContact O-CG1 3.26Å; K904-I913 PolarHBondContact O-N 3.04Å; D906-I913 HydrophobicContact CB-CD1 4.39Å; D906-I913 HydrophobicContact CB-CG1 4.46Å | ||
| 914 | C | 70.5 | Confident | 70.1 | Confident | 9 Ų | 9 | 64.5 Ų | 64.5 | 6% | 0.061 | 35% | 0.348 | C | S | . | . | P | Polyproline II helix | trans | -67.1 | 146.3 | -176.5 | -53.4 | 0 | 0 | 0 | 0 | 113.4 | C912 F918 C923 A934 | C912-C914 PolarHBondContact O-N 3.49Å; C912-C914 PolarHBondContact O-SG 3.35Å; C912-C914 VanDerWaalsContact O-SG 3.4Å; C914-F918 VanDerWaalsContact CB-O 3.32Å; C914-F918 WeakPolarHBondContact CB-O 3.25Å; C914-C923 WeakPolarHBondContact CA-SG 3.46Å; C914-C923 HydrophobicContact CB-CB 3.54Å; C914-C923 WeakPolarHBondContact CB-SG 3.4Å; C914-C923 VanDerWaalsContact SG-CA 3.5Å; C914-C923 WeakPolarHBondContact SG-CB 2.97Å; C914-C923 CovalentContact SG-SG 2.03Å; C914-C923 PolarHBondContact SG-SG 3.45Å; C914-A934 WeakPolarHBondContact O-CA 3.35Å; C914-A934 VanDerWaalsContact O-CB 3.24Å; C914-A934 WeakPolarHBondContact O-CB 3.22Å |
| 915 | P | 66.2 | Low | 70.9 | Confident | 68 Ų | 68 | 63 Ų | 63 | 44% | 0.442 | 34% | 0.343 | S | S | . | . | P | Polyproline II helix | trans | -66.3 | 156 | 176 | 28.4 | -34.7 | 0 | 0 | 0 | 112.4 | G917 F918 | P915-G917 PolarHBondContact O-N 3.41Å; P915-F918 HydrophobicContact CG-CB 4.39Å; P915-F918 HydrophobicContact CG-CD2 4.19Å; P915-F918 PolarHBondContact O-N 3.2Å; P915-F918 VanDerWaalsContact O-N 3.15Å |
| 916 | P | 69.3 | Low | 70.8 | Confident | 78 Ų | 78 | 69.1 Ų | 69.1 | 51% | 0.506 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | 125.7 | -177.6 | -26.8 | 35.9 | 0 | 0 | 0 | 114.3 | ||
| 917 | G | 69.9 | Low | 71.1 | Confident | 9 Ų | 9 | 68 Ų | 68 | 9% | 0.093 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 102.8 | -5 | -176 | 0 | 0 | 0 | 0 | 0 | 114.5 | P915 C927 G933 | P915-G917 PolarHBondContact O-N 3.41Å; G917-C927 VanDerWaalsContact CA-SG 3.52Å; G917-C927 PolarHBondContact O-N 2.03Å; G917-C927 PolarHBondContact O-SG 3.26Å; G917-C927 VanDerWaalsContact O-SG 3.35Å; G917-G933 PolarHBondContact N-O 3.08Å |
| 918 | F | 74.2 | Confident | 71.3 | Confident | 73 Ų | 73 | 66.9 Ų | 66.9 | 32% | 0.32 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 151.7 | -175.8 | -63.4 | -93.9 | 0 | 0 | 0 | 114.1 | C914 P915 C923 E925 Q926 G935 C936 | C914-F918 VanDerWaalsContact CB-O 3.32Å; C914-F918 WeakPolarHBondContact CB-O 3.25Å; P915-F918 HydrophobicContact CG-CB 4.39Å; P915-F918 HydrophobicContact CG-CD2 4.19Å; P915-F918 PolarHBondContact O-N 3.2Å; P915-F918 VanDerWaalsContact O-N 3.15Å; F918-C923 WeakPolarHBondContact CB-O 3.46Å; F918-E925 CarbonylContact C-O 3.55Å; F918-E925 WeakPolarHBondContact CA-O 3.29Å; F918-Q926 HydrophobicContact CD1-CG 4.18Å; F918-Q926 HydrophobicContact CE1-CG 3.8Å; F918-Q926 HydrophobicContact CZ-CG 4.43Å; F918-G935 CarbonylContact O-C 3.2Å; F918-G935 WeakPolarHBondContact O-CA 3.43Å; F918-G935 PolarHBondContact O-N 2.99Å; F918-G935 VanDerWaalsContact O-N 3.08Å; F918-C936 PolarHBondContact O-N 2.9Å |
| 919 | Y | 77.3 | Confident | 71.2 | Confident | 87 Ų | 87 | 69.9 Ų | 69.9 | 34% | 0.341 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | -173.6 | 177.9 | 78.4 | -75.1 | 0 | 0 | 0 | 112.5 | C923 D924 E925 Q926 G935 C936 | Y919-C923 CarbonylContact O-C 3.47Å; Y919-C923 VanDerWaalsContact O-C 3.32Å; Y919-C923 WeakPolarHBondContact O-CA 3.22Å; Y919-D924 PolarHBondContact O-N 2.85Å; Y919-E925 HydrophobicContact CD1-CB 3.81Å; Y919-E925 WeakPolarHBondContact CD1-O 3.18Å; Y919-E925 HydrophobicContact CD2-CB 4.48Å; Y919-E925 HydrophobicContact CE1-CB 3.49Å; Y919-E925 VanDerWaalsContact CE1-CB 3.49Å; Y919-E925 HydrophobicContact CE2-CB 4.15Å; Y919-E925 WeakPolarHBondContact CE2-OE2 3.29Å; Y919-E925 HydrophobicContact CG-CB 4.31Å; Y919-E925 PolarHBondContact N-O 2.87Å; Y919-E925 PolarHBondContact O-N 2.96Å; Y919-E925 PolarHBondContact OH-OE2 3.11Å; Y919-Q926 WeakPolarHBondContact CE1-O 3.32Å; Y919-G935 WeakPolarHBondContact CB-O 3.44Å; Y919-C936 HydrophobicContact CD1-CB 4.15Å; Y919-C936 WeakPolarHBondContact CD1-SG 3.45Å; Y919-C936 HydrophobicContact CG-CB 4.24Å |
| 920 | G | 68.8 | Low | 70.9 | Confident | 25 Ų | 25 | 74.8 Ų | 74.8 | 26% | 0.258 | 39% | 0.391 | S | S | . | . | S | Bend | trans | 98.6 | 161.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112 | S922 C923 | G920-S922 PolarHBondContact O-N 2.81Å; G920-S922 VanDerWaalsContact O-N 3.16Å; G920-C923 PolarHBondContact O-N 2.94Å |
| 921 | E | 67 | Low | 71.3 | Confident | 183 Ų | 183 | 75.8 Ų | 75.8 | 86% | 0.855 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -32.9 | -176.2 | -69.2 | -164.1 | 140.2 | 0 | 0 | 113.2 | C912 | C912-E921 PolarHBondContact SG-O 2.88Š|
| 922 | S | 65.7 | Low | 71.8 | Confident | 49 Ų | 49 | 73.3 Ų | 73.3 | 34% | 0.343 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97 | -1.6 | 176.6 | 59.9 | 0 | 0 | 0 | 0 | 114.3 | S900 G920 D924 | S900-S922 WeakPolarHBondContact CB-O 2.95Å; S900-S922 WeakPolarHBondContact OG-CA 3.15Å; S900-S922 WeakPolarHBondContact OG-CB 3.24Å; S900-S922 PolarHBondContact OG-O 2.99Å; G920-S922 PolarHBondContact O-N 2.81Å; G920-S922 VanDerWaalsContact O-N 3.16Å; S922-D924 WeakPolarHBondContact CB-OD2 3.42Å; S922-D924 PolarHBondContact OG-OD2 2.88Å |
| 923 | C | 70 | Confident | 71.6 | Confident | 10 Ų | 10 | 73 Ų | 73 | 7% | 0.068 | 38% | 0.38 | C | S | . | . | S | Bend | trans | 65.7 | 27.6 | -175.6 | -58.7 | 0 | 0 | 0 | 0 | 116.8 | C914 F918 Y919 G920 | C914-C923 WeakPolarHBondContact CA-SG 3.46Å; C914-C923 HydrophobicContact CB-CB 3.54Å; C914-C923 WeakPolarHBondContact CB-SG 3.4Å; C914-C923 VanDerWaalsContact SG-CA 3.5Å; C914-C923 WeakPolarHBondContact SG-CB 2.97Å; C914-C923 CovalentContact SG-SG 2.03Å; C914-C923 PolarHBondContact SG-SG 3.45Å; F918-C923 WeakPolarHBondContact CB-O 3.46Å; Y919-C923 CarbonylContact O-C 3.47Å; Y919-C923 VanDerWaalsContact O-C 3.32Å; Y919-C923 WeakPolarHBondContact O-CA 3.22Å; G920-C923 PolarHBondContact O-N 2.94Å |
| 924 | D | 75.2 | Confident | 71.7 | Confident | 117 Ų | 117 | 70.5 Ų | 70.5 | 63% | 0.626 | 38% | 0.375 | S | S | * | . | trans | -97.3 | -13.1 | -175.3 | -62.2 | -58.7 | 0 | 0 | 0 | 115.6 | Y919 S922 | Y919-D924 PolarHBondContact O-N 2.85Å; S922-D924 WeakPolarHBondContact CB-OD2 3.42Å; S922-D924 PolarHBondContact OG-OD2 2.88Å | ||
| 925 | E | 78.3 | Confident | 71.6 | Confident | 104 Ų | 104 | 70.8 Ų | 70.8 | 49% | 0.486 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 141.8 | -175.3 | -65 | -176.2 | -142.3 | 0 | 0 | 112.5 | F918 Y919 | F918-E925 CarbonylContact C-O 3.55Å; F918-E925 WeakPolarHBondContact CA-O 3.29Å; Y919-E925 HydrophobicContact CD1-CB 3.81Å; Y919-E925 WeakPolarHBondContact CD1-O 3.18Å; Y919-E925 HydrophobicContact CD2-CB 4.48Å; Y919-E925 HydrophobicContact CE1-CB 3.49Å; Y919-E925 VanDerWaalsContact CE1-CB 3.49Å; Y919-E925 HydrophobicContact CE2-CB 4.15Å; Y919-E925 WeakPolarHBondContact CE2-OE2 3.29Å; Y919-E925 HydrophobicContact CG-CB 4.31Å; Y919-E925 PolarHBondContact N-O 2.87Å; Y919-E925 PolarHBondContact O-N 2.96Å; Y919-E925 PolarHBondContact OH-OE2 3.11Å |
| 926 | Q | 69.2 | Low | 71.9 | Confident | 151 Ų | 151 | 68 Ų | 68 | 71% | 0.706 | 36% | 0.361 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 139.7 | -179.3 | -70.7 | -169.2 | -44 | 0 | 0 | 113.6 | F918 Y919 | F918-Q926 HydrophobicContact CD1-CG 4.18Å; F918-Q926 HydrophobicContact CE1-CG 3.8Å; F918-Q926 HydrophobicContact CZ-CG 4.43Å; Y919-Q926 WeakPolarHBondContact CE1-O 3.32Å |
| 927 | C | 76.6 | Confident | 72 | Confident | 16 Ų | 16 | 70.1 Ų | 70.1 | 11% | 0.108 | 37% | 0.367 | C | S | . | . | P | Polyproline II helix | trans | -54.4 | 143.6 | -178.4 | -55.6 | 0 | 0 | 0 | 0 | 114.6 | G917 T931 C936 P950 | G917-C927 VanDerWaalsContact CA-SG 3.52Å; G917-C927 PolarHBondContact O-N 2.03Å; G917-C927 PolarHBondContact O-SG 3.26Å; G917-C927 VanDerWaalsContact O-SG 3.35Å; C927-T931 WeakPolarHBondContact CB-O 3.41Å; C927-C936 WeakPolarHBondContact CA-SG 3.23Å; C927-C936 HydrophobicContact CB-CB 3.87Å; C927-C936 WeakPolarHBondContact CB-SG 3.44Å; C927-C936 VanDerWaalsContact SG-CA 3.57Å; C927-C936 WeakPolarHBondContact SG-CB 3.08Å; C927-C936 CovalentContact SG-SG 2.02Å; C927-C936 PolarHBondContact SG-SG 2.92Å; C927-P950 HydrophobicContact CB-CB 3.92Å |
| 928 | S | 74.1 | Confident | 71.8 | Confident | 56 Ų | 56 | 70.5 Ų | 70.5 | 39% | 0.392 | 37% | 0.371 | S | S | . | . | P | Polyproline II helix | trans | -70 | 164.9 | 172.3 | 80.9 | 0 | 0 | 0 | 0 | 112.5 | Y930 T931 | S928-Y930 PolarHBondContact O-N 2.93Å; S928-Y930 PolarHBondContact OG-N 2.89Å; S928-T931 PolarHBondContact N-OG1 3.43Å; S928-T931 PolarHBondContact O-N 3.47Å; S928-T931 VanDerWaalsContact O-O 3.05Å; S928-T931 PolarHBondContact OG-N 3.32Å; S928-T931 PolarHBondContact OG-OG1 3.07Å |
| 929 | N | 68.1 | Low | 71.7 | Confident | 118 Ų | 118 | 72 Ų | 72 | 63% | 0.631 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -0.6 | 174 | -81.3 | -8.6 | 0 | 0 | 0 | 115.6 | C948 | N929-C948 WeakPolarHBondContact O-CB 3.5Š|
| 930 | Y | 68.9 | Low | 71.4 | Confident | 182 Ų | 182 | 68.5 Ų | 68.5 | 71% | 0.714 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.4 | 1.6 | 177.1 | -51.5 | -72.3 | 0 | 0 | 0 | 113.3 | S928 C940 | S928-Y930 PolarHBondContact O-N 2.93Å; S928-Y930 PolarHBondContact OG-N 2.89Å; Y930-C940 VanDerWaalsContact O-CB 3.25Å; Y930-C940 WeakPolarHBondContact O-CB 3.48Å; Y930-C940 PolarHBondContact O-N 2.8Å |
| 931 | T | 78.6 | Confident | 71.7 | Confident | 32 Ų | 32 | 70.3 Ų | 70.3 | 20% | 0.196 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 151.7 | -177 | 47.3 | 0 | 0 | 0 | 0 | 111.9 | C927 S928 C936 G938 | C927-T931 WeakPolarHBondContact CB-O 3.41Å; S928-T931 PolarHBondContact N-OG1 3.43Å; S928-T931 PolarHBondContact O-N 3.47Å; S928-T931 VanDerWaalsContact O-O 3.05Å; S928-T931 PolarHBondContact OG-N 3.32Å; S928-T931 PolarHBondContact OG-OG1 3.07Å; T931-C936 WeakPolarHBondContact CB-O 3.14Å; T931-G938 CarbonylContact C-O 3.43Å; T931-G938 VanDerWaalsContact CA-O 3.32Å; T931-G938 WeakPolarHBondContact CA-O 3.37Å |
| 932 | Y | 79.4 | Confident | 72.1 | Confident | 54 Ų | 54 | 62.9 Ų | 62.9 | 21% | 0.212 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 166.2 | -176.6 | 75.8 | -89 | 0 | 0 | 0 | 113.6 | C936 G938 C940 P950 G953 | Y932-C936 CarbonylContact O-C 3.32Å; Y932-C936 WeakPolarHBondContact O-CA 3.29Å; Y932-G938 WeakPolarHBondContact CD1-O 3.28Å; Y932-G938 WeakPolarHBondContact CE1-O 3.32Å; Y932-G938 PolarHBondContact N-O 3.49Å; Y932-G938 WeakPolarHBondContact O-CA 3.18Å; Y932-G938 PolarHBondContact O-N 3.35Å; Y932-C940 HydrophobicContact CD1-CB 3.89Å; Y932-C940 HydrophobicContact CE1-CB 4.37Å; Y932-P950 WeakPolarHBondContact CA-O 3.17Å; Y932-P950 WeakPolarHBondContact CB-O 3.02Å; Y932-G953 VanDerWaalsContact CD2-N 3.28Å |
| 933 | G | 69.5 | Low | 72.4 | Confident | 12 Ų | 12 | 66.4 Ų | 66.4 | 12% | 0.124 | 36% | 0.361 | C | S | . | . | S | Bend | trans | 82 | -164.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 114 | G917 C936 P950 | G917-G933 PolarHBondContact N-O 3.08Å; G933-C936 PolarHBondContact O-N 2.98Å; G933-P950 PolarHBondContact N-O 2.87Å; G933-P950 VanDerWaalsContact N-O 3.13Å |
| 934 | A | 69.1 | Low | 72.3 | Confident | 48 Ų | 48 | 69.1 Ų | 69.1 | 40% | 0.397 | 37% | 0.374 | S | S | . | . | G | 310 helix | trans | -65.5 | 131.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | C914 C936 L937 | C914-A934 WeakPolarHBondContact O-CA 3.35Å; C914-A934 VanDerWaalsContact O-CB 3.24Å; C914-A934 WeakPolarHBondContact O-CB 3.22Å; A934-C936 PolarHBondContact O-N 2.83Å; A934-L937 PolarHBondContact O-N 2.03Å |
| 935 | G | 69 | Low | 71.8 | Confident | 14 Ų | 14 | 71.7 Ų | 71.7 | 14% | 0.144 | 39% | 0.388 | C | S | . | . | G | 310 helix | trans | 62.4 | 10 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | F918 Y919 L937 | F918-G935 CarbonylContact O-C 3.2Å; F918-G935 WeakPolarHBondContact O-CA 3.43Å; F918-G935 PolarHBondContact O-N 2.99Å; F918-G935 VanDerWaalsContact O-N 3.08Å; Y919-G935 WeakPolarHBondContact CB-O 3.44Å; G935-L937 PolarHBondContact O-N 3.46Å |
| 936 | C | 72.3 | Confident | 71.5 | Confident | 9 Ų | 9 | 67.3 Ų | 67.3 | 6% | 0.061 | 37% | 0.37 | C | S | . | . | G | 310 helix | trans | 52.3 | 21.7 | -167.8 | -53.4 | 0 | 0 | 0 | 0 | 114.4 | F918 Y919 C927 T931 Y932 G933 A934 G938 | F918-C936 PolarHBondContact O-N 2.9Å; Y919-C936 HydrophobicContact CD1-CB 4.15Å; Y919-C936 WeakPolarHBondContact CD1-SG 3.45Å; Y919-C936 HydrophobicContact CG-CB 4.24Å; C927-C936 WeakPolarHBondContact CA-SG 3.23Å; C927-C936 HydrophobicContact CB-CB 3.87Å; C927-C936 WeakPolarHBondContact CB-SG 3.44Å; C927-C936 VanDerWaalsContact SG-CA 3.57Å; C927-C936 WeakPolarHBondContact SG-CB 3.08Å; C927-C936 CovalentContact SG-SG 2.02Å; C927-C936 PolarHBondContact SG-SG 2.92Å; T931-C936 WeakPolarHBondContact CB-O 3.14Å; Y932-C936 CarbonylContact O-C 3.32Å; Y932-C936 WeakPolarHBondContact O-CA 3.29Å; G933-C936 PolarHBondContact O-N 2.98Å; A934-C936 PolarHBondContact O-N 2.83Å; C936-G938 PolarHBondContact O-N 3.33Å |
| 937 | L | 70.1 | Confident | 71.7 | Confident | 123 Ų | 123 | 63.9 Ų | 63.9 | 64% | 0.644 | 36% | 0.359 | S | S | * | . | trans | -68.1 | -19.1 | -175.6 | -64.9 | 171.5 | 0 | 0 | 0 | 113.2 | A934 G935 V939 | A934-L937 PolarHBondContact O-N 2.03Å; G935-L937 PolarHBondContact O-N 3.46Å; L937-V939 PolarHBondContact O-N 3.31Å; L937-V939 VanDerWaalsContact O-N 3.08Å | ||
| 938 | G | 66.8 | Low | 71.8 | Confident | 17 Ų | 17 | 63.8 Ų | 63.8 | 18% | 0.175 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 100 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | T931 Y932 C936 C940 | T931-G938 CarbonylContact C-O 3.43Å; T931-G938 VanDerWaalsContact CA-O 3.32Å; T931-G938 WeakPolarHBondContact CA-O 3.37Å; Y932-G938 WeakPolarHBondContact CD1-O 3.28Å; Y932-G938 WeakPolarHBondContact CE1-O 3.32Å; Y932-G938 PolarHBondContact N-O 3.49Å; Y932-G938 WeakPolarHBondContact O-CA 3.18Å; Y932-G938 PolarHBondContact O-N 3.35Å; C936-G938 PolarHBondContact O-N 3.33Å; G938-C940 PolarHBondContact O-N 3.46Å |
| 939 | V | 72.6 | Confident | 71.8 | Confident | 105 Ų | 105 | 64.4 Ų | 64.4 | 64% | 0.636 | 36% | 0.357 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 113.7 | 169.9 | -179 | 0 | 0 | 0 | 0 | 108.6 | L937 S941 | L937-V939 PolarHBondContact O-N 3.31Å; L937-V939 VanDerWaalsContact O-N 3.08Å; V939-S941 PolarHBondContact O-N 2.84Å; V939-S941 PolarHBondContact O-OG 3.5Å |
| 940 | C | 71.4 | Confident | 71.8 | Confident | 13 Ų | 13 | 61 Ų | 61 | 9% | 0.088 | 34% | 0.342 | C | S | . | . | trans | -72.8 | 99.6 | -174.3 | -139.5 | 0 | 0 | 0 | 0 | 109.4 | Y930 Y932 G938 C942 C948 G953 | Y930-C940 VanDerWaalsContact O-CB 3.25Å; Y930-C940 WeakPolarHBondContact O-CB 3.48Å; Y930-C940 PolarHBondContact O-N 2.8Å; Y932-C940 HydrophobicContact CD1-CB 3.89Å; Y932-C940 HydrophobicContact CE1-CB 4.37Å; G938-C940 PolarHBondContact O-N 3.46Å; C940-C942 PolarHBondContact O-N 2.75Å; C940-C942 PolarHBondContact SG-SG 2.72Å; C940-C948 HydrophobicContact CB-CB 3.66Å; C940-C948 WeakPolarHBondContact CB-SG 3.24Å; C940-C948 WeakPolarHBondContact SG-CB 3.43Å; C940-C948 CovalentContact SG-SG 2.02Å; C940-C948 PolarHBondContact SG-SG 2.99Å; C940-G953 PolarHBondContact SG-O 3.41Å; C940-G953 VanDerWaalsContact SG-O 3.38Å | ||
| 941 | S | 73.8 | Confident | 71.9 | Confident | 64 Ų | 64 | 58 Ų | 58 | 45% | 0.448 | 34% | 0.337 | S | S | . | . | trans | -74.2 | 26.3 | -172.5 | -68.8 | 0 | 0 | 0 | 0 | 114.2 | V939 K943 | V939-S941 PolarHBondContact O-N 2.84Å; V939-S941 PolarHBondContact O-OG 3.5Å; S941-K943 PolarHBondContact O-N 2.79Å | ||
| 942 | C | 76.2 | Confident | 71.7 | Confident | 27 Ų | 27 | 59.2 Ų | 59.2 | 18% | 0.182 | 35% | 0.347 | C | S | . | . | trans | -58.8 | 104.1 | -178.6 | -58.7 | 0 | 0 | 0 | 0 | 111.4 | C940 A946 C955 H965 | C940-C942 PolarHBondContact O-N 2.75Å; C940-C942 PolarHBondContact SG-SG 2.72Å; C942-A946 HydrophobicContact CB-CB 4.06Å; C942-A946 WeakPolarHBondContact CB-O 3.02Å; C942-C955 WeakPolarHBondContact CA-SG 3.34Å; C942-C955 HydrophobicContact CB-CB 3.84Å; C942-C955 WeakPolarHBondContact CB-SG 3.28Å; C942-C955 WeakPolarHBondContact SG-CB 3.31Å; C942-C955 CovalentContact SG-SG 2.04Å; C942-C955 PolarHBondContact SG-SG 2.86Å; C942-H965 WeakPolarHBondContact CA-O 3.41Å | ||
| 943 | K | 70.4 | Confident | 71.4 | Confident | 123 Ų | 123 | 56.8 Ų | 56.8 | 54% | 0.535 | 34% | 0.338 | S | S | . | . | trans | -76.6 | 166.5 | 174.3 | -60.2 | -64.3 | -178.7 | 176.7 | 0 | 110.3 | S941 N945 A946 H965 D967 | S941-K943 PolarHBondContact O-N 2.79Å; K943-N945 PolarHBondContact O-N 3.26Å; K943-A946 WeakPolarHBondContact O-CB 3.48Å; K943-A946 PolarHBondContact O-N 2.93Å; K943-H965 PolarHBondContact N-O 2.77Å; K943-D967 HydrophobicContact CG-CB 4.12Å | ||
| 944 | N | 69.3 | Low | 71.5 | Confident | 67 Ų | 67 | 62.4 Ų | 62.4 | 36% | 0.358 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58 | 42.7 | 165 | -54.5 | -55.1 | 0 | 0 | 0 | 115 | A946 A958 W961 C966 | N944-A946 PolarHBondContact O-N 3.47Å; N944-A958 WeakPolarHBondContact O-CB 3.31Å; N944-W961 HydrophobicContact CB-CD2 4.02Å; N944-W961 HydrophobicContact CB-CG 3.97Å; N944-W961 HydrophobicContact CB-CZ2 4.48Å; N944-W961 VanDerWaalsContact ND2-CE2 3.34Å; N944-W961 VanDerWaalsContact ND2-CZ3 3.34Å; N944-W961 WeakPolarHBondContact ND2-CZ3 3.39Å; N944-W961 WeakPolarHBondContact OD1-CZ2 3.4Å; N944-C966 PolarHBondContact ND2-O 3.33Å |
| 945 | N | 63.3 | Low | 72.1 | Confident | 170 Ų | 170 | 60.5 Ų | 60.5 | 91% | 0.909 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.6 | 24.3 | 178.4 | -100.2 | 17.7 | 0 | 0 | 0 | 115.3 | K943 | K943-N945 PolarHBondContact O-N 3.26Š|
| 946 | A | 73.1 | Confident | 72.2 | Confident | 13 Ų | 13 | 66 Ų | 66 | 11% | 0.107 | 37% | 0.365 | C | S | . | . | P | Polyproline II helix | trans | -73.3 | 139.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | C942 K943 N944 C955 E956 C966 | C942-A946 HydrophobicContact CB-CB 4.06Å; C942-A946 WeakPolarHBondContact CB-O 3.02Å; K943-A946 WeakPolarHBondContact O-CB 3.48Å; K943-A946 PolarHBondContact O-N 2.93Å; N944-A946 PolarHBondContact O-N 3.47Å; A946-C955 HydrophobicContact CB-CB 4.13Å; A946-E956 VanDerWaalsContact CA-O 3.24Å; A946-E956 WeakPolarHBondContact CA-O 3.42Å; A946-E956 WeakPolarHBondContact CB-O 3.26Å; A946-C966 HydrophobicContact CB-CB 3.72Å; A946-C966 WeakPolarHBondContact CB-SG 3.33Å |
| 947 | T | 74.3 | Confident | 72.5 | Confident | 78 Ų | 78 | 66.7 Ų | 66.7 | 48% | 0.479 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 135.5 | 178.4 | 27.5 | 0 | 0 | 0 | 0 | 111.9 | C955 E956 | T947-C955 CarbonylContact O-C 3.53Å; T947-C955 WeakPolarHBondContact O-CA 3Å; T947-E956 PolarHBondContact N-O 3.46Å; T947-E956 PolarHBondContact O-N 3.22Å; T947-E956 PolarHBondContact OG1-OE2 2.81Å |
| 948 | C | 78.6 | Confident | 72.8 | Confident | 14 Ų | 14 | 62.3 Ų | 62.3 | 10% | 0.095 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 143.4 | 177.4 | -175.4 | 0 | 0 | 0 | 0 | 112.4 | N929 C940 | N929-C948 WeakPolarHBondContact O-CB 3.5Å; C940-C948 HydrophobicContact CB-CB 3.66Å; C940-C948 WeakPolarHBondContact CB-SG 3.24Å; C940-C948 WeakPolarHBondContact SG-CB 3.43Å; C940-C948 CovalentContact SG-SG 2.02Å; C940-C948 PolarHBondContact SG-SG 2.99Å |
| 949 | N | 73.7 | Confident | 73.2 | Confident | 69 Ų | 69 | 64.4 Ų | 64.4 | 37% | 0.369 | 36% | 0.361 | S | S | . | . | trans | -89.7 | 115 | 162.8 | -178.5 | -81.9 | 0 | 0 | 0 | 110.9 | I951 S952 G953 K954 | N949-I951 PolarHBondContact O-N 2.03Å; N949-I951 VanDerWaalsContact O-N 3.11Å; N949-I951 PolarHBondContact OD1-N 3.04Å; N949-S952 PolarHBondContact O-N 3.29Å; N949-S952 PolarHBondContact OD1-N 3.25Å; N949-S952 PolarHBondContact OD1-OG 2.85Å; N949-G953 WeakPolarHBondContact O-CA 3.42Å; N949-G953 PolarHBondContact O-N 2.89Å; N949-K954 HydrophobicContact CB-CB 4.42Å; N949-K954 WeakPolarHBondContact CB-O 3.4Å; N949-K954 PolarHBondContact N-O 3.01Å | ||
| 950 | P | 67.6 | Low | 73.2 | Confident | 47 Ų | 47 | 59.4 Ų | 59.4 | 31% | 0.305 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -12 | -170.5 | 25.9 | -35 | 0 | 0 | 0 | 115.4 | C927 Y932 G933 | C927-P950 HydrophobicContact CB-CB 3.92Å; Y932-P950 WeakPolarHBondContact CA-O 3.17Å; Y932-P950 WeakPolarHBondContact CB-O 3.02Å; G933-P950 PolarHBondContact N-O 2.87Å; G933-P950 VanDerWaalsContact N-O 3.13Å |
| 951 | I | 70.1 | Confident | 73.6 | Confident | 118 Ų | 118 | 61.2 Ų | 61.2 | 61% | 0.605 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94 | -34.6 | 177.2 | -59.7 | 174 | 0 | 0 | 0 | 111.1 | N949 | N949-I951 PolarHBondContact O-N 2.03Å; N949-I951 VanDerWaalsContact O-N 3.11Å; N949-I951 PolarHBondContact OD1-N 3.04Å |
| 952 | S | 75.4 | Confident | 73.8 | Confident | 59 Ų | 59 | 63.2 Ų | 63.2 | 41% | 0.413 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.7 | -7.5 | -167.9 | 63.8 | 0 | 0 | 0 | 0 | 116 | N949 K954 | N949-S952 PolarHBondContact O-N 3.29Å; N949-S952 PolarHBondContact OD1-N 3.25Å; N949-S952 PolarHBondContact OD1-OG 2.85Å; S952-K954 PolarHBondContact O-N 3.27Å; S952-K954 VanDerWaalsContact O-N 3.11Å |
| 953 | G | 71.9 | Confident | 73.7 | Confident | 2 Ų | 2 | 63.6 Ų | 63.6 | 2% | 0.021 | 34% | 0.342 | C | S | . | . | trans | 70.3 | -0.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y932 C940 N949 C955 | Y932-G953 VanDerWaalsContact CD2-N 3.28Å; C940-G953 PolarHBondContact SG-O 3.41Å; C940-G953 VanDerWaalsContact SG-O 3.38Å; N949-G953 WeakPolarHBondContact O-CA 3.42Å; N949-G953 PolarHBondContact O-N 2.89Å; G953-C955 PolarHBondContact O-N 3.47Å | ||
| 954 | K | 73.3 | Confident | 73.8 | Confident | 130 Ų | 130 | 64.4 Ų | 64.4 | 57% | 0.565 | 34% | 0.342 | S | S | * | . | trans | -66.4 | 124.4 | 179.5 | -176.2 | -173.7 | 175.1 | -169.5 | 0 | 110.4 | N949 S952 | N949-K954 HydrophobicContact CB-CB 4.42Å; N949-K954 WeakPolarHBondContact CB-O 3.4Å; N949-K954 PolarHBondContact N-O 3.01Å; S952-K954 PolarHBondContact O-N 3.27Å; S952-K954 VanDerWaalsContact O-N 3.11Å | ||
| 955 | C | 80.4 | Confident | 74.1 | Confident | 9 Ų | 9 | 64.1 Ų | 64.1 | 6% | 0.061 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 142.6 | 175.6 | -54.5 | 0 | 0 | 0 | 0 | 112.3 | C942 A946 T947 G953 C966 | C942-C955 WeakPolarHBondContact CA-SG 3.34Å; C942-C955 HydrophobicContact CB-CB 3.84Å; C942-C955 WeakPolarHBondContact CB-SG 3.28Å; C942-C955 WeakPolarHBondContact SG-CB 3.31Å; C942-C955 CovalentContact SG-SG 2.04Å; C942-C955 PolarHBondContact SG-SG 2.86Å; A946-C955 HydrophobicContact CB-CB 4.13Å; T947-C955 CarbonylContact O-C 3.53Å; T947-C955 WeakPolarHBondContact O-CA 3Å; G953-C955 PolarHBondContact O-N 3.47Å; C955-C966 WeakPolarHBondContact CB-SG 3.29Å |
| 956 | E | 72.3 | Confident | 74.8 | Confident | 130 Ų | 130 | 56 Ų | 56 | 61% | 0.607 | 30% | 0.295 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 109.5 | 169.9 | -64.6 | -168.2 | 131.6 | 0 | 0 | 111.1 | A946 T947 | A946-E956 VanDerWaalsContact CA-O 3.24Å; A946-E956 WeakPolarHBondContact CA-O 3.42Å; A946-E956 WeakPolarHBondContact CB-O 3.26Å; T947-E956 PolarHBondContact N-O 3.46Å; T947-E956 PolarHBondContact O-N 3.22Å; T947-E956 PolarHBondContact OG1-OE2 2.81Å |
| 957 | C | 78.6 | Confident | 75.1 | Confident | 23 Ų | 23 | 58.6 Ų | 58.6 | 16% | 0.155 | 31% | 0.307 | C | S | . | . | P | Polyproline II helix | trans | -75.7 | 141.2 | -166 | -52.2 | 0 | 0 | 0 | 0 | 115.1 | W961 C966 | C957-W961 HydrophobicContact CB-CB 4.26Å; C957-W961 WeakPolarHBondContact CB-O 3.26Å; C957-C966 WeakPolarHBondContact CA-SG 3.01Å; C957-C966 HydrophobicContact CB-CB 3.71Å; C957-C966 WeakPolarHBondContact CB-SG 3.38Å; C957-C966 PolarHBondContact N-SG 2.72Å; C957-C966 VanDerWaalsContact N-SG 3.39Å; C957-C966 WeakPolarHBondContact SG-CA 3Å; C957-C966 WeakPolarHBondContact SG-CB 3.46Å; C957-C966 CovalentContact SG-SG 2.04Å; C957-C966 PolarHBondContact SG-SG 2.96Å |
| 958 | A | 75.2 | Confident | 75.1 | Confident | 30 Ų | 30 | 58.9 Ų | 58.9 | 25% | 0.248 | 31% | 0.305 | C | S | . | . | P | Polyproline II helix | trans | -67 | 160 | 166.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | N944 G960 W961 | N944-A958 WeakPolarHBondContact O-CB 3.31Å; A958-G960 PolarHBondContact O-N 3.32Å; A958-W961 PolarHBondContact O-N 3.48Å |
| 959 | P | 76 | Confident | 75.1 | Confident | 62 Ų | 62 | 60.7 Ų | 60.7 | 40% | 0.403 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.6 | 132.2 | 176.9 | -26.7 | 35.8 | 0 | 0 | 0 | 113.4 | R977 | P959-R977 HydrophobicContact CB-CB 4.35Å; P959-R977 HydrophobicContact CG-CB 4.18Å; P959-R977 HydrophobicContact CG-CG 4.3Å |
| 960 | G | 71.6 | Confident | 75.4 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 94.1 | -4.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 116 | A958 C970 G976 H1001 | A958-G960 PolarHBondContact O-N 3.32Å; G960-C970 PolarHBondContact O-N 2.94Å; G960-C970 PolarHBondContact O-SG 3.07Å; G960-C970 VanDerWaalsContact O-SG 3.39Å; G960-G976 PolarHBondContact N-O 2.01Å; G960-H1001 WeakPolarHBondContact CA-O 3.42Å; G960-H1001 PolarHBondContact O-CD2 2.94Å |
| 961 | W | 79.6 | Confident | 75.7 | Confident | 50 Ų | 50 | 58 Ų | 58 | 19% | 0.189 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 149 | -176 | -59.6 | 94.3 | 0 | 0 | 0 | 112.6 | N944 C957 A958 C966 D967 P969 H1001 | N944-W961 HydrophobicContact CB-CD2 4.02Å; N944-W961 HydrophobicContact CB-CG 3.97Å; N944-W961 HydrophobicContact CB-CZ2 4.48Å; N944-W961 VanDerWaalsContact ND2-CE2 3.34Å; N944-W961 VanDerWaalsContact ND2-CZ3 3.34Å; N944-W961 WeakPolarHBondContact ND2-CZ3 3.39Å; N944-W961 WeakPolarHBondContact OD1-CZ2 3.4Å; C957-W961 HydrophobicContact CB-CB 4.26Å; C957-W961 WeakPolarHBondContact CB-O 3.26Å; A958-W961 PolarHBondContact O-N 3.48Å; W961-C966 HydrophobicContact CB-CB 4.36Å; W961-D967 WeakPolarHBondContact CZ3-O 3.47Å; W961-P969 HydrophobicContact CE3-CB 4.48Å; W961-P969 HydrophobicContact CZ3-CB 4.33Å; W961-H1001 AromaticContact CE2-CD2 3.95Å; W961-H1001 AromaticContact CE2-NE2 3.69Å; W961-H1001 AromaticContact CH2-NE2 3.61Å; W961-H1001 AromaticContact CZ2-CD2 3.99Å; W961-H1001 AromaticContact CZ2-NE2 3.26Å; W961-H1001 VanDerWaalsContact CZ2-NE2 3.26Å; W961-H1001 WeakPolarHBondContact CZ2-NE2 3.28Å |
| 962 | R | 79.8 | Confident | 75.7 | Confident | 107 Ų | 107 | 56.4 Ų | 56.4 | 40% | 0.404 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | -176.2 | -179.4 | 82.2 | -171.9 | -150.1 | -109.4 | 11 | 110.1 | C966 D967 L968 P969 | R962-C966 CarbonylContact O-C 3.49Å; R962-C966 VanDerWaalsContact O-CA 3.3Å; R962-C966 WeakPolarHBondContact O-CA 3.35Å; R962-D967 PolarHBondContact O-N 3.4Å; R962-L968 HydrophobicContact CG-CB 3.7Å; R962-L968 PolarHBondContact N-O 3.43Å; R962-L968 PolarHBondContact O-N 3.35Å; R962-L968 VanDerWaalsContact O-O 3.08Å; R962-P969 WeakPolarHBondContact CD-O 3.48Å; R962-P969 WeakPolarHBondContact CG-O 3.22Å; R962-P969 PolarHBondContact NH1-O 2.92Å |
| 963 | G | 72.8 | Confident | 75.4 | Confident | 34 Ų | 34 | 54.7 Ų | 54.7 | 35% | 0.351 | 29% | 0.287 | S | S | . | . | S | Bend | trans | 88.2 | 170.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112 | H965 C966 | G963-H965 VanDerWaalsContact C-N 3.33Å; G963-H965 PolarHBondContact O-N 3.1Å; G963-C966 PolarHBondContact O-N 3.08Å |
| 964 | W | 72.3 | Confident | 75.7 | Confident | 140 Ų | 140 | 58.7 Ų | 58.7 | 53% | 0.53 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -30 | -172.7 | -167.8 | 66.8 | 0 | 0 | 0 | 112.5 | ||
| 965 | H | 75.5 | Confident | 76.1 | Confident | 61 Ų | 61 | 55 Ų | 55 | 28% | 0.282 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | 5.9 | 175.5 | -46.1 | 119.5 | 0 | 0 | 0 | 114.3 | C942 K943 G963 D967 | C942-H965 WeakPolarHBondContact CA-O 3.41Å; K943-H965 PolarHBondContact N-O 2.77Å; G963-H965 VanDerWaalsContact C-N 3.33Å; G963-H965 PolarHBondContact O-N 3.1Å; H965-D967 HydrophobicContact CB-CB 4.11Å; H965-D967 IonicContact CG-OD2 2.67Å; H965-D967 IonicContact ND1-OD2 3.3Å; H965-D967 PolarHBondContact ND1-OD2 3.05Å; H965-D967 VanDerWaalsContact ND1-OD2 3.08Å; H965-D967 PolarHBondContact O-N 2.03Å |
| 966 | C | 79 | Confident | 75.8 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 29% | 0.287 | C | S | . | . | S | Bend | trans | 57.6 | 30.7 | -170.7 | -51.6 | 0 | 0 | 0 | 0 | 113.9 | N944 A946 C955 C957 W961 R962 G963 | N944-C966 PolarHBondContact ND2-O 3.33Å; A946-C966 HydrophobicContact CB-CB 3.72Å; A946-C966 WeakPolarHBondContact CB-SG 3.33Å; C955-C966 WeakPolarHBondContact CB-SG 3.29Å; C957-C966 WeakPolarHBondContact CA-SG 3.01Å; C957-C966 HydrophobicContact CB-CB 3.71Å; C957-C966 WeakPolarHBondContact CB-SG 3.38Å; C957-C966 PolarHBondContact N-SG 2.72Å; C957-C966 VanDerWaalsContact N-SG 3.39Å; C957-C966 WeakPolarHBondContact SG-CA 3Å; C957-C966 WeakPolarHBondContact SG-CB 3.46Å; C957-C966 CovalentContact SG-SG 2.04Å; C957-C966 PolarHBondContact SG-SG 2.96Å; W961-C966 HydrophobicContact CB-CB 4.36Å; R962-C966 CarbonylContact O-C 3.49Å; R962-C966 VanDerWaalsContact O-CA 3.3Å; R962-C966 WeakPolarHBondContact O-CA 3.35Å; G963-C966 PolarHBondContact O-N 3.08Å |
| 967 | D | 78.8 | Confident | 76 | Confident | 68 Ų | 68 | 56.5 Ų | 56.5 | 36% | 0.364 | 29% | 0.288 | S | S | . | . | trans | -93.7 | -28.8 | -177.3 | 51.5 | -11.8 | 0 | 0 | 0 | 113.2 | K943 W961 R962 H965 | K943-D967 HydrophobicContact CG-CB 4.12Å; W961-D967 WeakPolarHBondContact CZ3-O 3.47Å; R962-D967 PolarHBondContact O-N 3.4Å; H965-D967 HydrophobicContact CB-CB 4.11Å; H965-D967 IonicContact CG-OD2 2.67Å; H965-D967 IonicContact ND1-OD2 3.3Å; H965-D967 PolarHBondContact ND1-OD2 3.05Å; H965-D967 VanDerWaalsContact ND1-OD2 3.08Å; H965-D967 PolarHBondContact O-N 2.03Å | ||
| 968 | L | 75.4 | Confident | 75.4 | Confident | 84 Ų | 84 | 61.9 Ų | 61.9 | 44% | 0.44 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 130.4 | 175.5 | -64.5 | 172.6 | 0 | 0 | 0 | 110 | R962 | R962-L968 HydrophobicContact CG-CB 3.7Å; R962-L968 PolarHBondContact N-O 3.43Å; R962-L968 PolarHBondContact O-N 3.35Å; R962-L968 VanDerWaalsContact O-O 3.08Å |
| 969 | P | 76.9 | Confident | 75.3 | Confident | 52 Ų | 52 | 61.2 Ų | 61.2 | 34% | 0.338 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 170.9 | 168.7 | 30 | -35.2 | 0 | 0 | 0 | 110.6 | W961 R962 H1001 | W961-P969 HydrophobicContact CE3-CB 4.48Å; W961-P969 HydrophobicContact CZ3-CB 4.33Å; R962-P969 WeakPolarHBondContact CD-O 3.48Å; R962-P969 WeakPolarHBondContact CG-O 3.22Å; R962-P969 PolarHBondContact NH1-O 2.92Å; P969-H1001 HydrophobicContact CB-CB 3.99Å |
| 970 | C | 80.6 | Confident | 75.3 | Confident | 9 Ų | 9 | 62.5 Ų | 62.5 | 6% | 0.061 | 32% | 0.319 | C | S | . | . | P | Polyproline II helix | trans | -56.7 | 155.4 | 168.7 | -73.4 | 0 | 0 | 0 | 0 | 113 | G960 F974 C979 H1001 | G960-C970 PolarHBondContact O-N 2.94Å; G960-C970 PolarHBondContact O-SG 3.07Å; G960-C970 VanDerWaalsContact O-SG 3.39Å; C970-F974 HydrophobicContact CB-CB 4.33Å; C970-F974 WeakPolarHBondContact CB-O 3.41Å; C970-C979 WeakPolarHBondContact CA-SG 3.5Å; C970-C979 HydrophobicContact CB-CB 3.73Å; C970-C979 WeakPolarHBondContact CB-SG 3.23Å; C970-C979 WeakPolarHBondContact SG-CA 3.41Å; C970-C979 WeakPolarHBondContact SG-CB 3.3Å; C970-C979 CovalentContact SG-SG 2.04Å; C970-C979 PolarHBondContact SG-SG 3.47Å; C970-H1001 HydrophobicContact CB-CB 4.05Å |
| 971 | P | 74 | Confident | 75.5 | Confident | 51 Ų | 51 | 69.6 Ų | 69.6 | 33% | 0.331 | 35% | 0.346 | S | S | . | . | P | Polyproline II helix | trans | -59.2 | 150.5 | 172.6 | -17.9 | 31.2 | 0 | 0 | 0 | 110.6 | G973 F974 | P971-G973 PolarHBondContact O-N 3.46Å; P971-F974 HydrophobicContact CB-CD2 4.2Å; P971-F974 PolarHBondContact O-N 2.87Å |
| 972 | D | 69.9 | Low | 74.9 | Confident | 84 Ų | 84 | 72.1 Ų | 72.1 | 45% | 0.449 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | 135 | 175.7 | -70.6 | -84.9 | 0 | 0 | 0 | 111.2 | K998 | D972-K998 VanDerWaalsContact OD1-CD 3.31Å; D972-K998 WeakPolarHBondContact OD1-CD 3Å; D972-K998 WeakPolarHBondContact OD1-CG 3.29Å; D972-K998 IonicContact OD1-NZ 3.98Å; D972-K998 PolarHBondContact OD1-NZ 3.47Å; D972-K998 IonicContact OD2-NZ 2.71Å; D972-K998 PolarHBondContact OD2-NZ 3.17Å |
| 973 | G | 69.8 | Low | 74.5 | Confident | 22 Ų | 22 | 67.9 Ų | 67.9 | 23% | 0.227 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 84.8 | -3.7 | -171.2 | 0 | 0 | 0 | 0 | 0 | 116 | P971 V982 C983 | P971-G973 PolarHBondContact O-N 3.46Å; G973-V982 CarbonylContact O-C 3.56Å; G973-V982 WeakPolarHBondContact O-CA 3.4Å; G973-C983 PolarHBondContact O-N 2.9Å |
| 974 | F | 79.1 | Confident | 74.3 | Confident | 87 Ų | 87 | 71.9 Ų | 71.9 | 38% | 0.382 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 149.4 | -179.3 | -64.5 | -98.5 | 0 | 0 | 0 | 114 | C970 P971 C979 R981 V982 | C970-F974 HydrophobicContact CB-CB 4.33Å; C970-F974 WeakPolarHBondContact CB-O 3.41Å; P971-F974 HydrophobicContact CB-CD2 4.2Å; P971-F974 PolarHBondContact O-N 2.87Å; F974-C979 HydrophobicContact CB-CB 4.09Å; F974-C979 WeakPolarHBondContact CD1-O 3.01Å; F974-R981 CarbonylContact C-O 3.5Å; F974-R981 VanDerWaalsContact CA-O 3.27Å; F974-R981 WeakPolarHBondContact CA-O 3.46Å; F974-V982 HydrophobicContact CD1-CG2 4.01Å; F974-V982 HydrophobicContact CE1-CG2 3.69Å; F974-V982 HydrophobicContact CZ-CG2 4.35Å |
| 975 | Y | 80.1 | Confident | 74.1 | Confident | 51 Ų | 51 | 65.7 Ų | 65.7 | 20% | 0.2 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 170.3 | 179.8 | 79.8 | -77 | 0 | 0 | 0 | 113.8 | C979 S980 R981 C983 H1001 G1004 | Y975-C979 CarbonylContact O-C 3.52Å; Y975-S980 PolarHBondContact O-N 2.93Å; Y975-R981 HydrophobicContact CD1-CB 3.57Å; Y975-R981 WeakPolarHBondContact CD1-O 3.3Å; Y975-R981 HydrophobicContact CD2-CB 4.42Å; Y975-R981 HydrophobicContact CE1-CB 3.37Å; Y975-R981 HydrophobicContact CE1-CG 4.43Å; Y975-R981 HydrophobicContact CE2-CB 4.26Å; Y975-R981 HydrophobicContact CG-CB 4.11Å; Y975-R981 PolarHBondContact N-O 2.81Å; Y975-R981 WeakPolarHBondContact O-CB 3.37Å; Y975-R981 PolarHBondContact O-N 3.2Å; Y975-R981 VanDerWaalsContact O-N 3.1Å; Y975-C983 VanDerWaalsContact CD1-SG 3.53Å; Y975-H1001 VanDerWaalsContact CA-O 3.23Å; Y975-H1001 WeakPolarHBondContact CA-O 3.42Å; Y975-H1001 VanDerWaalsContact CB-O 3.23Å; Y975-H1001 WeakPolarHBondContact CB-O 3.36Å; Y975-G1004 VanDerWaalsContact CD2-CA 3.48Å |
| 976 | G | 74.7 | Confident | 73.3 | Confident | 7 Ų | 7 | 63.5 Ų | 63.5 | 7% | 0.072 | 34% | 0.338 | C | S | . | . | S | Bend | trans | 81.9 | -169 | 173.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | G960 N978 C979 H1001 | G960-G976 PolarHBondContact N-O 2.01Å; G976-N978 PolarHBondContact O-N 2.91Å; G976-C979 PolarHBondContact O-N 2.84Å; G976-H1001 PolarHBondContact N-O 2.72Å |
| 977 | R | 75.8 | Confident | 71.9 | Confident | 165 Ų | 165 | 70.6 Ų | 70.6 | 62% | 0.623 | 37% | 0.366 | S | S | * | . | G | 310 helix | trans | -66.2 | 128.9 | -172.6 | -152.2 | 178 | -167.2 | -159.9 | 2.9 | 110.8 | P959 C979 S980 | P959-R977 HydrophobicContact CB-CB 4.35Å; P959-R977 HydrophobicContact CG-CB 4.18Å; P959-R977 HydrophobicContact CG-CG 4.3Å; R977-C979 PolarHBondContact O-N 2.69Å; R977-C979 VanDerWaalsContact O-N 3.12Å; R977-S980 WeakPolarHBondContact O-CB 3.29Å; R977-S980 PolarHBondContact O-N 3.45Å; R977-S980 PolarHBondContact O-OG 2.95Å |
| 978 | N | 67 | Low | 70.4 | Confident | 135 Ų | 135 | 73.1 Ų | 73.1 | 72% | 0.722 | 38% | 0.379 | S | S | * | . | G | 310 helix | trans | 50.2 | 27.1 | -169.8 | -59.6 | 1 | 0 | 0 | 0 | 113.9 | G976 S980 | G976-N978 PolarHBondContact O-N 2.91Å; N978-S980 PolarHBondContact O-N 2.86Å |
| 979 | C | 73.4 | Confident | 68.9 | Low | 16 Ų | 16 | 77.2 Ų | 77.2 | 11% | 0.108 | 40% | 0.399 | C | S | . | . | G | 310 helix | trans | 57.1 | 30.6 | -177.9 | -48.3 | 0 | 0 | 0 | 0 | 114.1 | C970 F974 Y975 G976 R977 R981 | C970-C979 WeakPolarHBondContact CA-SG 3.5Å; C970-C979 HydrophobicContact CB-CB 3.73Å; C970-C979 WeakPolarHBondContact CB-SG 3.23Å; C970-C979 WeakPolarHBondContact SG-CA 3.41Å; C970-C979 WeakPolarHBondContact SG-CB 3.3Å; C970-C979 CovalentContact SG-SG 2.04Å; C970-C979 PolarHBondContact SG-SG 3.47Å; F974-C979 HydrophobicContact CB-CB 4.09Å; F974-C979 WeakPolarHBondContact CD1-O 3.01Å; Y975-C979 CarbonylContact O-C 3.52Å; G976-C979 PolarHBondContact O-N 2.84Å; R977-C979 PolarHBondContact O-N 2.69Å; R977-C979 VanDerWaalsContact O-N 3.12Å; C979-R981 VanDerWaalsContact C-N 3.29Å; C979-R981 PolarHBondContact O-N 2.8Å |
| 980 | S | 74.4 | Confident | 67.3 | Low | 90 Ų | 90 | 80.2 Ų | 80.2 | 63% | 0.629 | 41% | 0.411 | S | S | * | . | trans | -77.1 | -1.3 | -171.1 | 54.1 | 0 | 0 | 0 | 0 | 115.9 | Y975 R977 N978 | Y975-S980 PolarHBondContact O-N 2.93Å; R977-S980 WeakPolarHBondContact O-CB 3.29Å; R977-S980 PolarHBondContact O-N 3.45Å; R977-S980 PolarHBondContact O-OG 2.95Å; N978-S980 PolarHBondContact O-N 2.86Å | ||
| 981 | R | 76.1 | Confident | 65.6 | Low | 148 Ų | 148 | 87 Ų | 87 | 56% | 0.558 | 45% | 0.446 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 139.7 | 178.8 | -60 | -178.1 | 174.6 | -175 | -2.4 | 110.7 | F974 Y975 C979 | F974-R981 CarbonylContact C-O 3.5Å; F974-R981 VanDerWaalsContact CA-O 3.27Å; F974-R981 WeakPolarHBondContact CA-O 3.46Å; Y975-R981 HydrophobicContact CD1-CB 3.57Å; Y975-R981 WeakPolarHBondContact CD1-O 3.3Å; Y975-R981 HydrophobicContact CD2-CB 4.42Å; Y975-R981 HydrophobicContact CE1-CB 3.37Å; Y975-R981 HydrophobicContact CE1-CG 4.43Å; Y975-R981 HydrophobicContact CE2-CB 4.26Å; Y975-R981 HydrophobicContact CG-CB 4.11Å; Y975-R981 PolarHBondContact N-O 2.81Å; Y975-R981 WeakPolarHBondContact O-CB 3.37Å; Y975-R981 PolarHBondContact O-N 3.2Å; Y975-R981 VanDerWaalsContact O-N 3.1Å; C979-R981 VanDerWaalsContact C-N 3.29Å; C979-R981 PolarHBondContact O-N 2.8Å |
| 982 | V | 68.1 | Low | 64.3 | Low | 103 Ų | 103 | 87.8 Ų | 87.8 | 62% | 0.624 | 46% | 0.464 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 138.6 | 174.8 | -175.6 | 0 | 0 | 0 | 0 | 109.7 | G973 F974 | G973-V982 CarbonylContact O-C 3.56Å; G973-V982 WeakPolarHBondContact O-CA 3.4Å; F974-V982 HydrophobicContact CD1-CG2 4.01Å; F974-V982 HydrophobicContact CE1-CG2 3.69Å; F974-V982 HydrophobicContact CZ-CG2 4.35Å |
| 983 | C | 70.5 | Confident | 62.9 | Low | 18 Ų | 18 | 89.2 Ų | 89.2 | 12% | 0.122 | 47% | 0.471 | C | S | . | . | trans | -79.1 | 139 | 176.7 | -63.7 | 0 | 0 | 0 | 0 | 111.5 | G973 Y975 C985 C999 | G973-C983 PolarHBondContact O-N 2.9Å; Y975-C983 VanDerWaalsContact CD1-SG 3.53Å; C983-C985 PolarHBondContact O-N 2.83Å; C983-C999 HydrophobicContact CB-CB 3.59Å; C983-C999 WeakPolarHBondContact CB-SG 3.42Å; C983-C999 WeakPolarHBondContact SG-CB 3.38Å; C983-C999 CovalentContact SG-SG 2.03Å; C983-C999 PolarHBondContact SG-SG 2.75Å | ||
| 984 | N | 69.4 | Low | 61.9 | Low | 118 Ų | 118 | 96.8 Ų | 96.8 | 63% | 0.631 | 50% | 0.501 | S | S | * | . | trans | -101.5 | 64.2 | 175.4 | -177 | 18.9 | 0 | 0 | 0 | 110.5 | D1016 R1018 | N984-D1016 VanDerWaalsContact O-CB 3.24Å; N984-D1016 WeakPolarHBondContact O-CB 3.35Å; N984-R1018 PolarHBondContact OD1-NH2 2.92Å | ||
| 985 | C | 68 | Low | 60.3 | Low | 11 Ų | 11 | 102.3 Ų | 102.3 | 7% | 0.074 | 52% | 0.519 | C | S | . | . | trans | -92.8 | 152.8 | 171.2 | -49.1 | 0 | 0 | 0 | 0 | 110.1 | C983 Y987 V997 C1006 | C983-C985 PolarHBondContact O-N 2.83Å; C985-Y987 PolarHBondContact O-N 3.24Å; C985-V997 HydrophobicContact CB-CB 4.03Å; C985-V997 HydrophobicContact CB-CG1 3.76Å; C985-V997 WeakPolarHBondContact CB-O 3.29Å; C985-C1006 WeakPolarHBondContact CA-SG 3.05Å; C985-C1006 HydrophobicContact CB-CB 3.92Å; C985-C1006 WeakPolarHBondContact CB-SG 3.5Å; C985-C1006 WeakPolarHBondContact SG-CB 3.39Å; C985-C1006 CovalentContact SG-SG 2.04Å; C985-C1006 PolarHBondContact SG-SG 3.04Å | ||
| 986 | G | 59.1 | Low | 58.9 | Low | 14 Ų | 14 | 104.4 Ų | 104.4 | 14% | 0.144 | 53% | 0.531 | C | S | . | . | trans | -69.5 | 86.4 | -173.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | D988 D1016 | G986-D988 PolarHBondContact O-N 3.44Å; G986-D1016 PolarHBondContact N-O 2.03Å | ||
| 987 | Y | 49.2 | Very low | 58.2 | Low | 149 Ų | 149 | 105.2 Ų | 105.2 | 58% | 0.584 | 53% | 0.534 | S | S | * | . | trans | -71.7 | 105.1 | 158 | -88.5 | -94.9 | 0 | 0 | 0 | 110.2 | C985 | C985-Y987 PolarHBondContact O-N 3.24Š| ||
| 988 | D | 47.5 | Very low | 57.8 | Low | 121 Ų | 121 | 101.5 Ų | 101.5 | 65% | 0.647 | 52% | 0.523 | S | S | * | . | trans | -130.3 | 114.8 | 162.5 | -86.3 | -68.8 | 0 | 0 | 0 | 108.1 | G986 I990 R1018 | G986-D988 PolarHBondContact O-N 3.44Å; D988-I990 PolarHBondContact O-N 3.37Å; D988-I990 VanDerWaalsContact O-N 3.11Å; D988-R1018 IonicContact OD2-NH1 2.69Å; D988-R1018 PolarHBondContact OD2-NH1 3.18Å | ||
| 989 | M | 43.4 | Very low | 58.1 | Low | 171 Ų | 171 | 95.8 Ų | 95.8 | 84% | 0.842 | 49% | 0.493 | S | S | * | . | trans | -72.9 | 101.4 | -179.9 | -75.2 | -177.4 | 174.1 | 0 | 0 | 110.6 | ||||
| 990 | I | 43.3 | Very low | 58.1 | Low | 115 Ų | 115 | 97.6 Ų | 97.6 | 59% | 0.59 | 50% | 0.5 | S | S | * | . | trans | -97.4 | 118.1 | 169.1 | -56.8 | 179.1 | 0 | 0 | 0 | 108.4 | D988 G992 | D988-I990 PolarHBondContact O-N 3.37Å; D988-I990 VanDerWaalsContact O-N 3.11Å; I990-G992 VanDerWaalsContact C-N 3.27Å; I990-G992 PolarHBondContact O-N 3Å; I990-G992 VanDerWaalsContact O-N 3.11Å | ||
| 991 | D | 45.4 | Very low | 58.1 | Low | 150 Ų | 150 | 95.3 Ų | 95.3 | 80% | 0.802 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.5 | 35.7 | 173.5 | -62.6 | -33.4 | 0 | 0 | 0 | 116.8 | N993 | D991-N993 VanDerWaalsContact C-N 3.28Å; D991-N993 PolarHBondContact O-N 2.85Å |
| 992 | G | 45.6 | Very low | 58 | Low | 69 Ų | 69 | 90.9 Ų | 90.9 | 71% | 0.711 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.9 | 7.2 | 162.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | I990 | I990-G992 VanDerWaalsContact C-N 3.27Å; I990-G992 PolarHBondContact O-N 3Å; I990-G992 VanDerWaalsContact O-N 3.11Å |
| 993 | N | 41.7 | Very low | 58.5 | Low | 113 Ų | 113 | 89.6 Ų | 89.6 | 60% | 0.604 | 46% | 0.461 | S | S | * | . | trans | -93 | 129 | 170.2 | -70.1 | -59.3 | 0 | 0 | 0 | 110.3 | D991 W995 | D991-N993 VanDerWaalsContact C-N 3.28Å; D991-N993 PolarHBondContact O-N 2.85Å; N993-W995 PolarHBondContact O-N 2.77Å; N993-W995 VanDerWaalsContact O-N 3.14Å | ||
| 994 | E | 48.4 | Very low | 58.5 | Low | 182 Ų | 182 | 89.6 Ų | 89.6 | 85% | 0.85 | 46% | 0.464 | S | S | * | . | trans | -73.2 | 101.5 | 174.1 | -73.6 | 178.3 | 124.2 | 0 | 0 | 111 | ||||
| 995 | W | 44.7 | Very low | 58.7 | Low | 203 Ų | 203 | 88.1 Ų | 88.1 | 77% | 0.769 | 46% | 0.459 | S | S | * | . | trans | -102 | 92.9 | 166.8 | -71.2 | 85.1 | 0 | 0 | 0 | 109.2 | N993 V997 | N993-W995 PolarHBondContact O-N 2.77Å; N993-W995 VanDerWaalsContact O-N 3.14Å; W995-V997 PolarHBondContact O-N 3.14Å; W995-V997 VanDerWaalsContact O-N 3.16Å | ||
| 996 | E | 51.4 | Low | 59.1 | Low | 94 Ų | 94 | 88.1 Ų | 88.1 | 44% | 0.439 | 46% | 0.459 | S | S | . | . | trans | -66.4 | 108.6 | 176.1 | -64.6 | -172.7 | 136.6 | 0 | 0 | 111.1 | K998 | E996-K998 HydrophobicContact CB-CG 4.39Å; E996-K998 PolarHBondContact O-N 2.61Å; E996-K998 VanDerWaalsContact O-N 3.17Å; E996-K998 IonicContact OE2-NZ 3.53Å; E996-K998 PolarHBondContact OE2-NZ 2.02Å | ||
| 997 | V | 60.4 | Low | 59.7 | Low | 24 Ų | 24 | 93 Ų | 93 | 15% | 0.145 | 47% | 0.474 | C | S | . | . | trans | -78.5 | 98.8 | 171.4 | -174.4 | 0 | 0 | 0 | 0 | 108.9 | C985 W995 C1017 | C985-V997 HydrophobicContact CB-CB 4.03Å; C985-V997 HydrophobicContact CB-CG1 3.76Å; C985-V997 WeakPolarHBondContact CB-O 3.29Å; W995-V997 PolarHBondContact O-N 3.14Å; W995-V997 VanDerWaalsContact O-N 3.16Å; V997-C1017 HydrophobicContact CG1-CB 3.97Å | ||
| 998 | K | 66 | Low | 61 | Low | 87 Ų | 87 | 86.5 Ų | 86.5 | 38% | 0.378 | 45% | 0.45 | S | S | . | . | trans | -77.6 | 149.9 | -171.1 | -60.4 | -178 | -178.5 | -88.6 | 0 | 112.1 | D972 E996 Y1007 | D972-K998 VanDerWaalsContact OD1-CD 3.31Å; D972-K998 WeakPolarHBondContact OD1-CD 3Å; D972-K998 WeakPolarHBondContact OD1-CG 3.29Å; D972-K998 IonicContact OD1-NZ 3.98Å; D972-K998 PolarHBondContact OD1-NZ 3.47Å; D972-K998 IonicContact OD2-NZ 2.71Å; D972-K998 PolarHBondContact OD2-NZ 3.17Å; E996-K998 HydrophobicContact CB-CG 4.39Å; E996-K998 PolarHBondContact O-N 2.61Å; E996-K998 VanDerWaalsContact O-N 3.17Å; E996-K998 IonicContact OE2-NZ 3.53Å; E996-K998 PolarHBondContact OE2-NZ 2.02Å; K998-Y1007 PolarHBondContact O-N 2.99Å | ||
| 999 | C | 74.2 | Confident | 62 | Low | 15 Ų | 15 | 83.3 Ų | 83.3 | 10% | 0.101 | 44% | 0.436 | C | S | . | . | B | Isolated β-bridge | trans | -114.7 | 153.9 | 174.2 | 59.9 | 0 | 0 | 0 | 0 | 112.2 | C983 H1001 V1005 | C983-C999 HydrophobicContact CB-CB 3.59Å; C983-C999 WeakPolarHBondContact CB-SG 3.42Å; C983-C999 WeakPolarHBondContact SG-CB 3.38Å; C983-C999 CovalentContact SG-SG 2.03Å; C983-C999 PolarHBondContact SG-SG 2.75Å; C999-H1001 PolarHBondContact O-N 2.97Å; C999-H1001 VanDerWaalsContact O-N 3.12Å; C999-V1005 CarbonylContact C-O 3.58Å; C999-V1005 WeakPolarHBondContact CA-O 3.33Å |
| 1000 | H | 73.6 | Confident | 63.7 | Low | 54 Ų | 54 | 77.3 Ų | 77.3 | 25% | 0.25 | 41% | 0.411 | C | S | . | . | trans | -68.7 | 107.5 | 172.2 | -173.8 | -4.2 | 0 | 0 | 0 | 110.2 | V1002 T1003 G1004 V1005 Y1007 | H1000-V1002 PolarHBondContact ND1-N 3.41Å; H1000-V1002 PolarHBondContact O-N 2.99Å; H1000-T1003 WeakPolarHBondContact CB-OG1 3.4Å; H1000-T1003 PolarHBondContact CD2-OG1 2.68Å; H1000-T1003 PolarHBondContact O-N 2.84Å; H1000-T1003 VanDerWaalsContact O-N 3.09Å; H1000-G1004 PolarHBondContact O-N 3.09Å; H1000-V1005 PolarHBondContact N-O 3.31Å; H1000-Y1007 HydrophobicContact CB-CE2 3.71Å | ||
| 1001 | H | 73.7 | Confident | 65.3 | Low | 42 Ų | 42 | 72 Ų | 72 | 19% | 0.194 | 39% | 0.385 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -48.5 | -25.8 | -178.1 | 54.5 | -89 | 0 | 0 | 0 | 116.1 | G960 W961 P969 C970 Y975 G976 C999 | G960-H1001 WeakPolarHBondContact CA-O 3.42Å; G960-H1001 PolarHBondContact O-CD2 2.94Å; W961-H1001 AromaticContact CE2-CD2 3.95Å; W961-H1001 AromaticContact CE2-NE2 3.69Å; W961-H1001 AromaticContact CH2-NE2 3.61Å; W961-H1001 AromaticContact CZ2-CD2 3.99Å; W961-H1001 AromaticContact CZ2-NE2 3.26Å; W961-H1001 VanDerWaalsContact CZ2-NE2 3.26Å; W961-H1001 WeakPolarHBondContact CZ2-NE2 3.28Å; P969-H1001 HydrophobicContact CB-CB 3.99Å; C970-H1001 HydrophobicContact CB-CB 4.05Å; Y975-H1001 VanDerWaalsContact CA-O 3.23Å; Y975-H1001 WeakPolarHBondContact CA-O 3.42Å; Y975-H1001 VanDerWaalsContact CB-O 3.23Å; Y975-H1001 WeakPolarHBondContact CB-O 3.36Å; G976-H1001 PolarHBondContact N-O 2.72Å; C999-H1001 PolarHBondContact O-N 2.97Å; C999-H1001 VanDerWaalsContact O-N 3.12Å |
| 1002 | V | 74.4 | Confident | 67 | Low | 56 Ų | 56 | 69.6 Ų | 69.6 | 34% | 0.339 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -53.2 | 173.6 | -174 | 0 | 0 | 0 | 0 | 111.9 | H1000 | H1000-V1002 PolarHBondContact ND1-N 3.41Å; H1000-V1002 PolarHBondContact O-N 2.99Å |
| 1003 | T | 79.4 | Confident | 68.7 | Low | 76 Ų | 76 | 68.4 Ų | 68.4 | 47% | 0.466 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | -21.7 | -166.6 | 64 | 0 | 0 | 0 | 0 | 114.6 | H1000 V1005 | H1000-T1003 WeakPolarHBondContact CB-OG1 3.4Å; H1000-T1003 PolarHBondContact CD2-OG1 2.68Å; H1000-T1003 PolarHBondContact O-N 2.84Å; H1000-T1003 VanDerWaalsContact O-N 3.09Å; T1003-V1005 VanDerWaalsContact C-N 3.3Å; T1003-V1005 WeakPolarHBondContact OG1-CG2 3.33Å; T1003-V1005 PolarHBondContact OG1-N 2.79Å |
| 1004 | G | 70 | Confident | 70.3 | Confident | 17 Ų | 17 | 64.2 Ų | 64.2 | 18% | 0.175 | 33% | 0.327 | C | S | . | . | trans | 80 | 3.6 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y975 H1000 | Y975-G1004 VanDerWaalsContact CD2-CA 3.48Å; H1000-G1004 PolarHBondContact O-N 3.09Å | ||
| 1005 | V | 73.6 | Confident | 71.4 | Confident | 87 Ų | 87 | 61 Ų | 61 | 53% | 0.527 | 32% | 0.322 | S | S | . | . | P | Polyproline II helix | trans | -69.6 | 131 | 176.9 | 177.2 | 0 | 0 | 0 | 0 | 109.9 | C999 H1000 T1003 | C999-V1005 CarbonylContact C-O 3.58Å; C999-V1005 WeakPolarHBondContact CA-O 3.33Å; H1000-V1005 PolarHBondContact N-O 3.31Å; T1003-V1005 VanDerWaalsContact C-N 3.3Å; T1003-V1005 WeakPolarHBondContact OG1-CG2 3.33Å; T1003-V1005 PolarHBondContact OG1-N 2.79Å |
| 1006 | C | 76.2 | Confident | 72.5 | Confident | 11 Ų | 11 | 53.3 Ų | 53.3 | 7% | 0.074 | 30% | 0.296 | C | S | . | . | B | Isolated β-bridge | trans | -76.2 | 136.9 | 177.2 | -58.2 | 0 | 0 | 0 | 0 | 111.5 | C985 P1015 C1017 | C985-C1006 WeakPolarHBondContact CA-SG 3.05Å; C985-C1006 HydrophobicContact CB-CB 3.92Å; C985-C1006 WeakPolarHBondContact CB-SG 3.5Å; C985-C1006 WeakPolarHBondContact SG-CB 3.39Å; C985-C1006 CovalentContact SG-SG 2.04Å; C985-C1006 PolarHBondContact SG-SG 3.04Å; C1006-P1015 PolarHBondContact SG-O 2.96Å; C1006-P1015 VanDerWaalsContact SG-O 3.41Å; C1006-C1017 WeakPolarHBondContact CB-SG 3.46Å |
| 1007 | Y | 72.6 | Confident | 73.5 | Confident | 117 Ų | 117 | 49.2 Ų | 49.2 | 46% | 0.459 | 28% | 0.277 | S | S | . | . | P | Polyproline II helix | trans | -89 | 120.4 | 167.7 | -64 | -74 | 0 | 0 | 0 | 108.5 | K998 H1000 | K998-Y1007 PolarHBondContact O-N 2.99Å; H1000-Y1007 HydrophobicContact CB-CE2 3.71Å |
| 1008 | C | 74.9 | Confident | 74 | Confident | 12 Ų | 12 | 52.9 Ų | 52.9 | 8% | 0.081 | 29% | 0.289 | C | S | . | . | P | Polyproline II helix | trans | -95.2 | 120 | -171.3 | -54.7 | 0 | 0 | 0 | 0 | 111 | W1012 G1014 C1017 E1028 G1029 | C1008-W1012 HydrophobicContact CB-CB 4.16Å; C1008-W1012 WeakPolarHBondContact CB-O 3.49Å; C1008-G1014 PolarHBondContact SG-O 3.34Å; C1008-G1014 VanDerWaalsContact SG-O 3.33Å; C1008-C1017 WeakPolarHBondContact CA-SG 3.15Å; C1008-C1017 HydrophobicContact CB-CB 3.64Å; C1008-C1017 WeakPolarHBondContact CB-SG 3.3Å; C1008-C1017 PolarHBondContact N-SG 2.99Å; C1008-C1017 WeakPolarHBondContact SG-CA 3.06Å; C1008-C1017 WeakPolarHBondContact SG-CB 3.44Å; C1008-C1017 CovalentContact SG-SG 2.04Å; C1008-C1017 PolarHBondContact SG-SG 3.33Å; C1008-E1028 WeakPolarHBondContact O-CG 3.41Å; C1008-G1029 PolarHBondContact O-N 2.98Å |
| 1009 | P | 70.2 | Confident | 74.5 | Confident | 54 Ų | 54 | 52.1 Ų | 52.1 | 35% | 0.351 | 29% | 0.291 | S | S | . | . | P | Polyproline II helix | trans | -60.6 | 153.7 | 178.9 | 27 | -34.5 | 0 | 0 | 0 | 110.6 | G1011 W1012 | P1009-G1011 PolarHBondContact O-N 2.04Å; P1009-W1012 WeakPolarHBondContact O-CB 3.18Å; P1009-W1012 PolarHBondContact O-N 2.81Å |
| 1010 | S | 78.9 | Confident | 74.6 | Confident | 45 Ų | 45 | 55.2 Ų | 55.2 | 32% | 0.315 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.3 | 129.7 | -174.4 | -57.2 | 0 | 0 | 0 | 0 | 113 | G1027 E1028 | S1010-G1027 WeakPolarHBondContact CA-O 3.48Å; S1010-E1028 PolarHBondContact OG-N 2.99Å |
| 1011 | G | 76.6 | Confident | 75 | Confident | 4 Ų | 4 | 53.3 Ų | 53.3 | 4% | 0.041 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 98.1 | -7.6 | -172.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | P1009 P1020 C1021 G1027 P1044 | P1009-G1011 PolarHBondContact O-N 2.04Å; G1011-P1020 CarbonylContact O-C 3.57Å; G1011-P1020 WeakPolarHBondContact O-CA 3.03Å; G1011-C1021 WeakPolarHBondContact CA-SG 3.5Å; G1011-C1021 PolarHBondContact O-N 3.48Å; G1011-C1021 PolarHBondContact O-SG 3.15Å; G1011-G1027 PolarHBondContact N-O 2.83Å; G1011-P1044 VanDerWaalsContact CA-O 3.26Å; G1011-P1044 WeakPolarHBondContact CA-O 3.42Å; G1011-P1044 PolarHBondContact N-O 2.03Å |
| 1012 | W | 80.4 | Confident | 75.3 | Confident | 100 Ų | 100 | 53.8 Ų | 53.8 | 38% | 0.379 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 153.5 | -177.4 | -57.9 | 88.7 | 0 | 0 | 0 | 113.2 | C1008 P1009 T1019 P1020 | C1008-W1012 HydrophobicContact CB-CB 4.16Å; C1008-W1012 WeakPolarHBondContact CB-O 3.49Å; P1009-W1012 WeakPolarHBondContact O-CB 3.18Å; P1009-W1012 PolarHBondContact O-N 2.81Å; W1012-T1019 CarbonylContact C-O 3.16Å; W1012-T1019 WeakPolarHBondContact CA-O 3.03Å; W1012-P1020 HydrophobicContact CE3-CB 4.43Å; W1012-P1020 HydrophobicContact CZ3-CB 4.37Å |
| 1013 | T | 82.4 | Confident | 75 | Confident | 43 Ų | 43 | 56.8 Ų | 56.8 | 26% | 0.264 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | -176.8 | -179 | -165.3 | 0 | 0 | 0 | 0 | 111.2 | C1017 T1019 G1029 | T1013-C1017 CarbonylContact O-C 3.5Å; T1013-C1017 WeakPolarHBondContact O-CA 3.43Å; T1013-T1019 PolarHBondContact N-O 2.88Å; T1013-T1019 VanDerWaalsContact O-CB 3.27Å; T1013-T1019 WeakPolarHBondContact O-CB 2.96Å; T1013-T1019 PolarHBondContact O-N 2.91Å; T1013-T1019 VanDerWaalsContact O-N 3.17Å; T1013-T1019 VanDerWaalsContact O-O 3.11Å; T1013-G1029 PolarHBondContact OG1-O 2.9Å |
| 1014 | G | 75.3 | Confident | 74.8 | Confident | 26 Ų | 26 | 57.4 Ų | 57.4 | 27% | 0.268 | 33% | 0.332 | S | S | . | . | S | Bend | trans | 84.4 | 163.8 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | C1008 D1016 C1017 | C1008-G1014 PolarHBondContact SG-O 3.34Å; C1008-G1014 VanDerWaalsContact SG-O 3.33Å; G1014-D1016 VanDerWaalsContact C-N 3.26Å; G1014-D1016 PolarHBondContact O-N 2.97Å; G1014-D1016 VanDerWaalsContact O-N 3.16Å; G1014-C1017 PolarHBondContact O-N 2.79Å |
| 1015 | P | 70.5 | Confident | 75.6 | Confident | 115 Ų | 115 | 61 Ų | 61 | 75% | 0.747 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -18.8 | -165.5 | 27.7 | -36.5 | 0 | 0 | 0 | 115 | C1006 | C1006-P1015 PolarHBondContact SG-O 2.96Å; C1006-P1015 VanDerWaalsContact SG-O 3.41Å |
| 1016 | D | 67.9 | Low | 76.1 | Confident | 40 Ų | 40 | 60.2 Ų | 60.2 | 21% | 0.214 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.1 | 7 | 174.6 | 70.3 | -17.1 | 0 | 0 | 0 | 112.9 | N984 G986 G1014 R1018 | N984-D1016 VanDerWaalsContact O-CB 3.24Å; N984-D1016 WeakPolarHBondContact O-CB 3.35Å; G986-D1016 PolarHBondContact N-O 2.03Å; G1014-D1016 VanDerWaalsContact C-N 3.26Å; G1014-D1016 PolarHBondContact O-N 2.97Å; G1014-D1016 VanDerWaalsContact O-N 3.16Å; D1016-R1018 PolarHBondContact O-N 3.32Å; D1016-R1018 PolarHBondContact OD1-N 2.04Å; D1016-R1018 WeakPolarHBondContact OD2-CD 3.01Å; D1016-R1018 WeakPolarHBondContact OD2-CG 3.2Å; D1016-R1018 IonicContact OD2-CZ 2.72Å; D1016-R1018 IonicContact OD2-NE 2.7Å; D1016-R1018 PolarHBondContact OD2-NE 2.72Å |
| 1017 | C | 71.5 | Confident | 76.2 | Confident | 8 Ų | 8 | 60 Ų | 60 | 5% | 0.054 | 33% | 0.328 | C | S | . | . | S | Bend | trans | 59.1 | 18.5 | -177.5 | -52.7 | 0 | 0 | 0 | 0 | 116.5 | V997 C1006 C1008 T1013 G1014 | V997-C1017 HydrophobicContact CG1-CB 3.97Å; C1006-C1017 WeakPolarHBondContact CB-SG 3.46Å; C1008-C1017 WeakPolarHBondContact CA-SG 3.15Å; C1008-C1017 HydrophobicContact CB-CB 3.64Å; C1008-C1017 WeakPolarHBondContact CB-SG 3.3Å; C1008-C1017 PolarHBondContact N-SG 2.99Å; C1008-C1017 WeakPolarHBondContact SG-CA 3.06Å; C1008-C1017 WeakPolarHBondContact SG-CB 3.44Å; C1008-C1017 CovalentContact SG-SG 2.04Å; C1008-C1017 PolarHBondContact SG-SG 3.33Å; T1013-C1017 CarbonylContact O-C 3.5Å; T1013-C1017 WeakPolarHBondContact O-CA 3.43Å; G1014-C1017 PolarHBondContact O-N 2.79Å |
| 1018 | R | 71.5 | Confident | 76.4 | Confident | 102 Ų | 102 | 60.4 Ų | 60.4 | 39% | 0.385 | 33% | 0.333 | S | S | . | . | trans | -87.4 | -0.5 | 176.5 | -60 | -175.2 | -148.3 | -96.1 | -4.6 | 114.3 | N984 D988 D1016 | N984-R1018 PolarHBondContact OD1-NH2 2.92Å; D988-R1018 IonicContact OD2-NH1 2.69Å; D988-R1018 PolarHBondContact OD2-NH1 3.18Å; D1016-R1018 PolarHBondContact O-N 3.32Å; D1016-R1018 PolarHBondContact OD1-N 2.04Å; D1016-R1018 WeakPolarHBondContact OD2-CD 3.01Å; D1016-R1018 WeakPolarHBondContact OD2-CG 3.2Å; D1016-R1018 IonicContact OD2-CZ 2.72Å; D1016-R1018 IonicContact OD2-NE 2.7Å; D1016-R1018 PolarHBondContact OD2-NE 2.72Å | ||
| 1019 | T | 77 | Confident | 76.5 | Confident | 71 Ų | 71 | 61.1 Ų | 61.1 | 44% | 0.436 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 119.7 | -179.6 | -43.8 | 0 | 0 | 0 | 0 | 108.9 | W1012 T1013 | W1012-T1019 CarbonylContact C-O 3.16Å; W1012-T1019 WeakPolarHBondContact CA-O 3.03Å; T1013-T1019 PolarHBondContact N-O 2.88Å; T1013-T1019 VanDerWaalsContact O-CB 3.27Å; T1013-T1019 WeakPolarHBondContact O-CB 2.96Å; T1013-T1019 PolarHBondContact O-N 2.91Å; T1013-T1019 VanDerWaalsContact O-N 3.17Å; T1013-T1019 VanDerWaalsContact O-O 3.11Å |
| 1020 | P | 75.6 | Confident | 77 | Confident | 79 Ų | 79 | 58.9 Ų | 58.9 | 51% | 0.513 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 159 | 173 | 29.4 | -34.9 | 0 | 0 | 0 | 111 | G1011 W1012 | G1011-P1020 CarbonylContact O-C 3.57Å; G1011-P1020 WeakPolarHBondContact O-CA 3.03Å; W1012-P1020 HydrophobicContact CE3-CB 4.43Å; W1012-P1020 HydrophobicContact CZ3-CB 4.37Å |
| 1021 | C | 82.7 | Confident | 77.2 | Confident | 14 Ų | 14 | 64.3 Ų | 64.3 | 10% | 0.095 | 35% | 0.349 | C | S | . | . | P | Polyproline II helix | trans | -56.1 | 145.8 | 177.1 | -62.7 | 0 | 0 | 0 | 0 | 112.7 | G1011 R1025 C1030 P1044 | G1011-C1021 WeakPolarHBondContact CA-SG 3.5Å; G1011-C1021 PolarHBondContact O-N 3.48Å; G1011-C1021 PolarHBondContact O-SG 3.15Å; C1021-R1025 WeakPolarHBondContact CB-O 3.37Å; C1021-C1030 WeakPolarHBondContact CA-SG 3.44Å; C1021-C1030 HydrophobicContact CB-CB 3.76Å; C1021-C1030 WeakPolarHBondContact CB-SG 3.44Å; C1021-C1030 WeakPolarHBondContact SG-CB 3.15Å; C1021-C1030 CovalentContact SG-SG 2.02Å; C1021-C1030 PolarHBondContact SG-SG 2.86Å; C1021-P1044 HydrophobicContact CB-CB 4.1Å |
| 1022 | P | 78.9 | Confident | 77.3 | Confident | 53 Ų | 53 | 69.7 Ų | 69.7 | 34% | 0.344 | 37% | 0.373 | S | S | . | . | P | Polyproline II helix | trans | -66.3 | 152.7 | 167.4 | 32.1 | -35.1 | 0 | 0 | 0 | 109.9 | D1024 R1025 | P1022-D1024 WeakPolarHBondContact CB-OD1 3.26Å; P1022-D1024 PolarHBondContact O-N 2.68Å; P1022-R1025 HydrophobicContact CG-CB 4.06Å; P1022-R1025 HydrophobicContact CG-CG 4.3Å; P1022-R1025 PolarHBondContact O-N 3.45Å |
| 1023 | P | 69.6 | Low | 77.4 | Confident | 119 Ų | 119 | 68.5 Ų | 68.5 | 77% | 0.773 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -14.6 | -164.8 | -23.7 | 35 | 0 | 0 | 0 | 116.1 | ||
| 1024 | D | 75.2 | Confident | 77.3 | Confident | 89 Ų | 89 | 67.5 Ų | 67.5 | 48% | 0.476 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | 0.5 | 178.1 | 60.1 | -58.5 | 0 | 0 | 0 | 113.8 | P1022 C1034 | P1022-D1024 WeakPolarHBondContact CB-OD1 3.26Å; P1022-D1024 PolarHBondContact O-N 2.68Å; D1024-C1034 WeakPolarHBondContact O-CB 3.31Å; D1024-C1034 PolarHBondContact O-N 2.78Å |
| 1025 | R | 85.6 | Confident | 77.6 | Confident | 92 Ų | 92 | 74.2 Ų | 74.2 | 35% | 0.347 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 156.7 | -174.2 | -69.3 | 175 | 158.4 | -79.8 | -8.6 | 114.2 | C1021 P1022 C1030 E1031 E1032 | C1021-R1025 WeakPolarHBondContact CB-O 3.37Å; P1022-R1025 HydrophobicContact CG-CB 4.06Å; P1022-R1025 HydrophobicContact CG-CG 4.3Å; P1022-R1025 PolarHBondContact O-N 3.45Å; R1025-C1030 HydrophobicContact CB-CB 4.12Å; R1025-C1030 WeakPolarHBondContact CD-O 3.45Å; R1025-C1030 PolarHBondContact NH1-O 3.4Å; R1025-E1031 VanDerWaalsContact NH1-C 3.34Å; R1025-E1031 PolarHBondContact NH1-O 3.27Å; R1025-E1032 CarbonylContact C-O 3.57Å; R1025-E1032 WeakPolarHBondContact CA-O 3.47Å; R1025-E1032 WeakPolarHBondContact CB-O 3.4Å |
| 1026 | W | 85 | Confident | 78.1 | Confident | 71 Ų | 71 | 70.3 Ų | 70.3 | 27% | 0.269 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 175.9 | -178.3 | 70.7 | -81.1 | 0 | 0 | 0 | 112.7 | C1030 E1031 E1032 P1044 T1046 G1047 | W1026-C1030 CarbonylContact O-C 3.5Å; W1026-C1030 WeakPolarHBondContact O-CA 3.47Å; W1026-E1031 PolarHBondContact O-N 3.1Å; W1026-E1032 HydrophobicContact CD2-CB 3.9Å; W1026-E1032 VanDerWaalsContact CE2-CB 3.5Å; W1026-E1032 HydrophobicContact CG-CB 4.1Å; W1026-E1032 HydrophobicContact CZ2-CB 3.96Å; W1026-E1032 HydrophobicContact CZ2-CG 4.12Å; W1026-E1032 PolarHBondContact N-O 3.26Å; W1026-E1032 PolarHBondContact O-N 2.02Å; W1026-E1032 VanDerWaalsContact O-N 3.16Å; W1026-P1044 CarbonylContact C-O 3.6Å; W1026-P1044 WeakPolarHBondContact CA-O 3.24Å; W1026-P1044 WeakPolarHBondContact CB-O 3.44Å; W1026-T1046 VanDerWaalsContact CZ3-C 3.44Å; W1026-T1046 WeakPolarHBondContact CZ3-O 3.22Å; W1026-G1047 VanDerWaalsContact CD2-N 3.27Å |
| 1027 | G | 78.7 | Confident | 78.7 | Confident | 7 Ų | 7 | 73 Ų | 73 | 7% | 0.072 | 38% | 0.375 | C | S | . | . | S | Bend | trans | 88.7 | -173.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | S1010 G1011 G1029 C1030 P1044 | S1010-G1027 WeakPolarHBondContact CA-O 3.48Å; G1011-G1027 PolarHBondContact N-O 2.83Å; G1027-G1029 PolarHBondContact O-N 3.15Å; G1027-C1030 PolarHBondContact O-N 3.11Å; G1027-C1030 VanDerWaalsContact O-N 3.15Å; G1027-P1044 PolarHBondContact N-O 2.95Å |
| 1028 | E | 76.2 | Confident | 79 | Confident | 124 Ų | 124 | 76.5 Ų | 76.5 | 58% | 0.579 | 39% | 0.393 | S | S | * | . | G | 310 helix | trans | -60.7 | 130.7 | 176.4 | -162.4 | 178.3 | 163.2 | 0 | 0 | 109.4 | C1008 S1010 C1030 E1031 | C1008-E1028 WeakPolarHBondContact O-CG 3.41Å; S1010-E1028 PolarHBondContact OG-N 2.99Å; E1028-C1030 PolarHBondContact O-N 3.11Å; E1028-E1031 PolarHBondContact O-N 2.79Å |
| 1029 | G | 76.8 | Confident | 79 | Confident | 28 Ų | 28 | 74.9 Ų | 74.9 | 29% | 0.289 | 41% | 0.408 | S | S | . | . | G | 310 helix | trans | 62.2 | -2.1 | -174.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | C1008 T1013 G1027 | C1008-G1029 PolarHBondContact O-N 2.98Å; T1013-G1029 PolarHBondContact OG1-O 2.9Å; G1027-G1029 PolarHBondContact O-N 3.15Å |
| 1030 | C | 81.6 | Confident | 79 | Confident | 6 Ų | 6 | 72.1 Ų | 72.1 | 4% | 0.041 | 39% | 0.393 | C | S | . | . | G | 310 helix | trans | 66.9 | 34.5 | -171.2 | -43.2 | 0 | 0 | 0 | 0 | 114.9 | C1021 R1025 W1026 G1027 E1028 | C1021-C1030 WeakPolarHBondContact CA-SG 3.44Å; C1021-C1030 HydrophobicContact CB-CB 3.76Å; C1021-C1030 WeakPolarHBondContact CB-SG 3.44Å; C1021-C1030 WeakPolarHBondContact SG-CB 3.15Å; C1021-C1030 CovalentContact SG-SG 2.02Å; C1021-C1030 PolarHBondContact SG-SG 2.86Å; R1025-C1030 HydrophobicContact CB-CB 4.12Å; R1025-C1030 WeakPolarHBondContact CD-O 3.45Å; R1025-C1030 PolarHBondContact NH1-O 3.4Å; W1026-C1030 CarbonylContact O-C 3.5Å; W1026-C1030 WeakPolarHBondContact O-CA 3.47Å; G1027-C1030 PolarHBondContact O-N 3.11Å; G1027-C1030 VanDerWaalsContact O-N 3.15Å; E1028-C1030 PolarHBondContact O-N 3.11Å |
| 1031 | E | 82.5 | Confident | 79.1 | Confident | 160 Ų | 160 | 72.9 Ų | 72.9 | 75% | 0.748 | 40% | 0.397 | S | S | * | . | trans | -72.8 | -33.3 | -177.2 | -63 | -164 | 161.2 | 0 | 0 | 113.9 | R1025 W1026 E1028 | R1025-E1031 VanDerWaalsContact NH1-C 3.34Å; R1025-E1031 PolarHBondContact NH1-O 3.27Å; W1026-E1031 PolarHBondContact O-N 3.1Å; E1028-E1031 PolarHBondContact O-N 2.79Å | ||
| 1032 | E | 79.1 | Confident | 79 | Confident | 116 Ų | 116 | 73.3 Ų | 73.3 | 54% | 0.542 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 152.7 | -177 | -76.4 | -68.3 | 167.6 | 0 | 0 | 113.2 | R1025 W1026 | R1025-E1032 CarbonylContact C-O 3.57Å; R1025-E1032 WeakPolarHBondContact CA-O 3.47Å; R1025-E1032 WeakPolarHBondContact CB-O 3.4Å; W1026-E1032 HydrophobicContact CD2-CB 3.9Å; W1026-E1032 VanDerWaalsContact CE2-CB 3.5Å; W1026-E1032 HydrophobicContact CG-CB 4.1Å; W1026-E1032 HydrophobicContact CZ2-CB 3.96Å; W1026-E1032 HydrophobicContact CZ2-CG 4.12Å; W1026-E1032 PolarHBondContact N-O 3.26Å; W1026-E1032 PolarHBondContact O-N 2.02Å; W1026-E1032 VanDerWaalsContact O-N 3.16Å |
| 1033 | V | 80.9 | Confident | 79 | Confident | 76 Ų | 76 | 73.5 Ų | 73.5 | 46% | 0.461 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 126.2 | -172.8 | -179.7 | 0 | 0 | 0 | 0 | 111.7 | ||
| 1034 | C | 80.7 | Confident | 79.2 | Confident | 21 Ų | 21 | 70.1 Ų | 70.1 | 14% | 0.142 | 38% | 0.376 | C | S | . | . | trans | -70.1 | 140.3 | 175.3 | -64.8 | 0 | 0 | 0 | 0 | 111.6 | D1024 C1042 | D1024-C1034 WeakPolarHBondContact O-CB 3.31Å; D1024-C1034 PolarHBondContact O-N 2.78Å; C1034-C1042 HydrophobicContact CB-CB 3.58Å; C1034-C1042 WeakPolarHBondContact CB-SG 3.27Å; C1034-C1042 WeakPolarHBondContact SG-CB 3.31Å; C1034-C1042 CovalentContact SG-SG 2.03Å; C1034-C1042 PolarHBondContact SG-SG 2.86Å | ||
| 1035 | R | 81.3 | Confident | 79.4 | Confident | 167 Ų | 167 | 70.4 Ų | 70.4 | 63% | 0.63 | 38% | 0.376 | S | S | * | . | trans | -133.2 | 51.6 | -177.7 | -56.5 | -178.6 | 85 | 162.5 | 7 | 111.1 | R1059 | R1035-R1059 VanDerWaalsContact O-CB 3.3Å; R1035-R1059 WeakPolarHBondContact O-CB 3.39Å; R1035-R1059 WeakPolarHBondContact O-CD 3.02Å; R1035-R1059 WeakPolarHBondContact O-CG 3.34Å | ||
| 1036 | C | 82.3 | Confident | 79.2 | Confident | 34 Ų | 34 | 69.4 Ų | 69.4 | 23% | 0.23 | 38% | 0.381 | C | S | . | . | trans | -88.3 | 129 | 179.7 | -51.5 | 0 | 0 | 0 | 0 | 110.9 | G1040 C1049 | C1036-G1040 WeakPolarHBondContact CB-O 3.38Å; C1036-C1049 WeakPolarHBondContact CA-SG 3.44Å; C1036-C1049 HydrophobicContact CB-CB 3.8Å; C1036-C1049 WeakPolarHBondContact CB-SG 3.34Å; C1036-C1049 VanDerWaalsContact SG-CA 3.52Å; C1036-C1049 WeakPolarHBondContact SG-CB 3.04Å; C1036-C1049 CovalentContact SG-SG 2.04Å; C1036-C1049 PolarHBondContact SG-SG 3.19Å | ||
| 1037 | E | 80.4 | Confident | 78.8 | Confident | 96 Ų | 96 | 66.9 Ų | 66.9 | 45% | 0.449 | 38% | 0.377 | S | S | . | . | trans | -100.5 | 176 | 176.9 | -63.5 | 171.8 | -146.5 | 0 | 0 | 109.6 | G1039 G1040 R1059 | E1037-G1039 PolarHBondContact O-N 3.04Å; E1037-G1040 PolarHBondContact O-N 2.79Å; E1037-R1059 WeakPolarHBondContact CA-O 3.3Å; E1037-R1059 WeakPolarHBondContact CB-O 3.21Å; E1037-R1059 PolarHBondContact N-O 2.97Å | ||
| 1038 | N | 77.3 | Confident | 78.7 | Confident | 82 Ų | 82 | 72.4 Ų | 72.4 | 44% | 0.439 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.9 | 22.5 | 177.3 | -64.7 | -44 | 0 | 0 | 0 | 116.6 | P1052 W1055 C1060 | N1038-P1052 VanDerWaalsContact O-CG 3.26Å; N1038-P1052 WeakPolarHBondContact O-CG 3.43Å; N1038-W1055 HydrophobicContact CB-CD2 4.06Å; N1038-W1055 HydrophobicContact CB-CE3 4.34Å; N1038-W1055 HydrophobicContact CB-CG 4.3Å; N1038-W1055 VanDerWaalsContact ND2-CE3 3.26Å; N1038-W1055 VanDerWaalsContact ND2-CZ3 3.29Å; N1038-W1055 WeakPolarHBondContact ND2-CZ3 3.27Å; N1038-C1060 PolarHBondContact ND2-O 2.04Å |
| 1039 | G | 71.7 | Confident | 79.1 | Confident | 68 Ų | 68 | 66.9 Ų | 66.9 | 70% | 0.701 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81 | 19.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | E1037 | E1037-G1039 PolarHBondContact O-N 3.04Š|
| 1040 | G | 76.3 | Confident | 79.2 | Confident | 12 Ų | 12 | 68.1 Ų | 68.1 | 12% | 0.124 | 38% | 0.379 | C | S | . | . | P | Polyproline II helix | trans | -63.6 | 133.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113 | C1036 E1037 T1050 | C1036-G1040 WeakPolarHBondContact CB-O 3.38Å; E1037-G1040 PolarHBondContact O-N 2.79Å; G1040-T1050 CarbonylContact C-O 3.5Å; G1040-T1050 VanDerWaalsContact CA-O 3.22Å; G1040-T1050 WeakPolarHBondContact CA-O 3.37Å |
| 1041 | T | 77.8 | Confident | 79.4 | Confident | 95 Ų | 95 | 67.9 Ų | 67.9 | 58% | 0.583 | 38% | 0.378 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 129.1 | 176.5 | 29.9 | 0 | 0 | 0 | 0 | 111.2 | T1050 | T1041-T1050 PolarHBondContact N-O 3.24Å; T1041-T1050 PolarHBondContact O-N 3.23Å; T1041-T1050 PolarHBondContact O-OG1 2.89Å; T1041-T1050 PolarHBondContact OG1-O 3.42Å; T1041-T1050 PolarHBondContact OG1-OG1 3.19Å |
| 1042 | C | 81.8 | Confident | 79.3 | Confident | 24 Ų | 24 | 62.6 Ų | 62.6 | 16% | 0.162 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 137.4 | -179.1 | -163.3 | 0 | 0 | 0 | 0 | 111.7 | C1034 P1044 | C1034-C1042 HydrophobicContact CB-CB 3.58Å; C1034-C1042 WeakPolarHBondContact CB-SG 3.27Å; C1034-C1042 WeakPolarHBondContact SG-CB 3.31Å; C1034-C1042 CovalentContact SG-SG 2.03Å; C1034-C1042 PolarHBondContact SG-SG 2.86Å; C1042-P1044 WeakPolarHBondContact O-CD 3.35Å |
| 1043 | D | 77.5 | Confident | 79.4 | Confident | 56 Ų | 56 | 58.7 Ų | 58.7 | 30% | 0.299 | 35% | 0.345 | S | S | . | . | P | Polyproline II helix | trans | -76.3 | 120.3 | 168.5 | 179.5 | -88.9 | 0 | 0 | 0 | 110.6 | I1045 T1046 G1047 M1048 | D1043-I1045 PolarHBondContact O-N 3.44Å; D1043-I1045 VanDerWaalsContact O-N 3.15Å; D1043-I1045 WeakPolarHBondContact OD1-CA 3.04Å; D1043-I1045 WeakPolarHBondContact OD1-CB 3.44Å; D1043-I1045 PolarHBondContact OD1-N 3.07Å; D1043-T1046 WeakPolarHBondContact CB-OG1 3.03Å; D1043-T1046 PolarHBondContact O-N 3.34Å; D1043-T1046 WeakPolarHBondContact OD1-CB 3.38Å; D1043-T1046 PolarHBondContact OD1-N 2.81Å; D1043-T1046 PolarHBondContact OD1-OG1 2.85Å; D1043-G1047 WeakPolarHBondContact O-CA 3.32Å; D1043-G1047 PolarHBondContact O-N 3.16Å; D1043-M1048 HydrophobicContact CB-CB 4.25Å; D1043-M1048 WeakPolarHBondContact CB-O 3.41Å; D1043-M1048 PolarHBondContact N-O 3.04Å |
| 1044 | P | 75.4 | Confident | 79.6 | Confident | 49 Ų | 49 | 55.3 Ų | 55.3 | 32% | 0.318 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -22.8 | -176.8 | -28.3 | 37.7 | 0 | 0 | 0 | 115.4 | G1011 C1021 W1026 G1027 C1042 | G1011-P1044 VanDerWaalsContact CA-O 3.26Å; G1011-P1044 WeakPolarHBondContact CA-O 3.42Å; G1011-P1044 PolarHBondContact N-O 2.03Å; C1021-P1044 HydrophobicContact CB-CB 4.1Å; W1026-P1044 CarbonylContact C-O 3.6Å; W1026-P1044 WeakPolarHBondContact CA-O 3.24Å; W1026-P1044 WeakPolarHBondContact CB-O 3.44Å; G1027-P1044 PolarHBondContact N-O 2.95Å; C1042-P1044 WeakPolarHBondContact O-CD 3.35Å |
| 1045 | I | 78.6 | Confident | 79.9 | Confident | 94 Ų | 94 | 57.6 Ų | 57.6 | 48% | 0.482 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | -36.6 | -172.2 | -48.9 | -173.5 | 0 | 0 | 0 | 110.4 | D1043 | D1043-I1045 PolarHBondContact O-N 3.44Å; D1043-I1045 VanDerWaalsContact O-N 3.15Å; D1043-I1045 WeakPolarHBondContact OD1-CA 3.04Å; D1043-I1045 WeakPolarHBondContact OD1-CB 3.44Å; D1043-I1045 PolarHBondContact OD1-N 3.07Å |
| 1046 | T | 80.8 | Confident | 80.1 | Confident | 72 Ų | 72 | 51.9 Ų | 51.9 | 44% | 0.442 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124.8 | -7.3 | -166.5 | 63.2 | 0 | 0 | 0 | 0 | 115 | W1026 D1043 M1048 | W1026-T1046 VanDerWaalsContact CZ3-C 3.44Å; W1026-T1046 WeakPolarHBondContact CZ3-O 3.22Å; D1043-T1046 WeakPolarHBondContact CB-OG1 3.03Å; D1043-T1046 PolarHBondContact O-N 3.34Å; D1043-T1046 WeakPolarHBondContact OD1-CB 3.38Å; D1043-T1046 PolarHBondContact OD1-N 2.81Å; D1043-T1046 PolarHBondContact OD1-OG1 2.85Å; T1046-M1048 PolarHBondContact O-N 3.47Å |
| 1047 | G | 76.3 | Confident | 80.1 | Confident | 18 Ų | 18 | 51.7 Ų | 51.7 | 19% | 0.186 | 31% | 0.314 | C | S | . | . | trans | 69.7 | 8.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | W1026 D1043 C1049 | W1026-G1047 VanDerWaalsContact CD2-N 3.27Å; D1043-G1047 WeakPolarHBondContact O-CA 3.32Å; D1043-G1047 PolarHBondContact O-N 3.16Å; G1047-C1049 PolarHBondContact O-N 3.22Å | ||
| 1048 | M | 78.2 | Confident | 80 | Confident | 123 Ų | 123 | 56.1 Ų | 56.1 | 61% | 0.606 | 33% | 0.332 | S | S | * | . | trans | -73 | 125.2 | -177 | -165.7 | -178.6 | -52.2 | 0 | 0 | 110.2 | D1043 T1046 T1050 | D1043-M1048 HydrophobicContact CB-CB 4.25Å; D1043-M1048 WeakPolarHBondContact CB-O 3.41Å; D1043-M1048 PolarHBondContact N-O 3.04Å; T1046-M1048 PolarHBondContact O-N 3.47Å; M1048-T1050 PolarHBondContact O-N 3.26Å | ||
| 1049 | C | 83 | Confident | 80.2 | Confident | 8 Ų | 8 | 56.9 Ų | 56.9 | 5% | 0.054 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 124 | 174.5 | -60.4 | 0 | 0 | 0 | 0 | 110.6 | C1036 G1047 | C1036-C1049 WeakPolarHBondContact CA-SG 3.44Å; C1036-C1049 HydrophobicContact CB-CB 3.8Å; C1036-C1049 WeakPolarHBondContact CB-SG 3.34Å; C1036-C1049 VanDerWaalsContact SG-CA 3.52Å; C1036-C1049 WeakPolarHBondContact SG-CB 3.04Å; C1036-C1049 CovalentContact SG-SG 2.04Å; C1036-C1049 PolarHBondContact SG-SG 3.19Å; G1047-C1049 PolarHBondContact O-N 3.22Å |
| 1050 | T | 79.5 | Confident | 80.9 | Confident | 53 Ų | 53 | 53.7 Ų | 53.7 | 33% | 0.325 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 112.6 | 170 | 52.2 | 0 | 0 | 0 | 0 | 109.2 | G1040 T1041 M1048 | G1040-T1050 CarbonylContact C-O 3.5Å; G1040-T1050 VanDerWaalsContact CA-O 3.22Å; G1040-T1050 WeakPolarHBondContact CA-O 3.37Å; T1041-T1050 PolarHBondContact N-O 3.24Å; T1041-T1050 PolarHBondContact O-N 3.23Å; T1041-T1050 PolarHBondContact O-OG1 2.89Å; T1041-T1050 PolarHBondContact OG1-O 3.42Å; T1041-T1050 PolarHBondContact OG1-OG1 3.19Å; M1048-T1050 PolarHBondContact O-N 3.26Å |
| 1051 | C | 85.2 | Confident | 81.4 | Confident | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.007 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -92.1 | 133.1 | -164.5 | -55.9 | 0 | 0 | 0 | 0 | 112.4 | W1055 C1060 V1071 N1072 | C1051-W1055 HydrophobicContact CB-CB 4.16Å; C1051-W1055 WeakPolarHBondContact CB-O 3.01Å; C1051-C1060 WeakPolarHBondContact CA-SG 3.25Å; C1051-C1060 HydrophobicContact CB-CB 3.58Å; C1051-C1060 WeakPolarHBondContact CB-SG 3.36Å; C1051-C1060 WeakPolarHBondContact SG-CA 3.04Å; C1051-C1060 WeakPolarHBondContact SG-CB 3.06Å; C1051-C1060 CovalentContact SG-SG 2.03Å; C1051-C1060 PolarHBondContact SG-SG 2.77Å; C1051-V1071 WeakPolarHBondContact O-CA 3.42Å; C1051-V1071 WeakPolarHBondContact O-CG1 3.44Å; C1051-N1072 VanDerWaalsContact CB-OD1 3.32Å; C1051-N1072 WeakPolarHBondContact CB-OD1 3.41Å; C1051-N1072 PolarHBondContact N-OD1 3.45Å; C1051-N1072 PolarHBondContact O-N 2.03Å; C1051-N1072 PolarHBondContact SG-OD1 2.92Å |
| 1052 | P | 81 | Confident | 81.8 | Confident | 49 Ų | 49 | 59.3 Ų | 59.3 | 32% | 0.318 | 31% | 0.306 | S | S | . | . | P | Polyproline II helix | trans | -61.4 | 157.4 | 177.2 | 26.5 | -34 | 0 | 0 | 0 | 111.2 | N1038 G1054 W1055 | N1038-P1052 VanDerWaalsContact O-CG 3.26Å; N1038-P1052 WeakPolarHBondContact O-CG 3.43Å; P1052-G1054 PolarHBondContact O-N 2.72Å; P1052-W1055 PolarHBondContact O-N 3.45Å; P1052-W1055 VanDerWaalsContact O-N 3.08Å |
| 1053 | A | 82.5 | Confident | 81.8 | Confident | 34 Ų | 34 | 65 Ų | 65 | 28% | 0.281 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | 131.3 | -172 | 0 | 0 | 0 | 0 | 0 | 112.5 | G1070 R1088 | A1053-G1070 WeakPolarHBondContact CA-O 3.16Å; A1053-R1088 HydrophobicContact CB-CB 4.26Å; A1053-R1088 WeakPolarHBondContact O-CG 3.44Å |
| 1054 | G | 83.3 | Confident | 82.2 | Confident | 5 Ų | 5 | 63.2 Ų | 63.2 | 5% | 0.052 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 100.3 | -9.6 | -172.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | P1052 E1063 C1064 G1070 P1087 | P1052-G1054 PolarHBondContact O-N 2.72Å; G1054-E1063 CarbonylContact O-C 3.42Å; G1054-E1063 WeakPolarHBondContact O-CA 3.46Å; G1054-C1064 WeakPolarHBondContact CA-SG 3.4Å; G1054-C1064 PolarHBondContact O-N 3.24Å; G1054-C1064 PolarHBondContact O-SG 3.2Å; G1054-C1064 VanDerWaalsContact O-SG 3.4Å; G1054-G1070 PolarHBondContact N-O 3.24Å; G1054-P1087 WeakPolarHBondContact CA-O 3.47Å; G1054-P1087 PolarHBondContact N-O 2.93Å |
| 1055 | W | 87.7 | Confident | 82.5 | Confident | 70 Ų | 70 | 63.2 Ų | 63.2 | 27% | 0.265 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 147.5 | -176.3 | -61.4 | 90.5 | 0 | 0 | 0 | 113.5 | N1038 C1051 P1052 C1060 R1062 E1063 N1072 | N1038-W1055 HydrophobicContact CB-CD2 4.06Å; N1038-W1055 HydrophobicContact CB-CE3 4.34Å; N1038-W1055 HydrophobicContact CB-CG 4.3Å; N1038-W1055 VanDerWaalsContact ND2-CE3 3.26Å; N1038-W1055 VanDerWaalsContact ND2-CZ3 3.29Å; N1038-W1055 WeakPolarHBondContact ND2-CZ3 3.27Å; C1051-W1055 HydrophobicContact CB-CB 4.16Å; C1051-W1055 WeakPolarHBondContact CB-O 3.01Å; P1052-W1055 PolarHBondContact O-N 3.45Å; P1052-W1055 VanDerWaalsContact O-N 3.08Å; W1055-C1060 HydrophobicContact CB-CB 4.33Å; W1055-R1062 CarbonylContact C-O 3.5Å; W1055-R1062 WeakPolarHBondContact CA-O 3.32Å; W1055-E1063 HydrophobicContact CE3-CG 4.23Å; W1055-E1063 HydrophobicContact CH2-CG 3.64Å; W1055-E1063 HydrophobicContact CZ2-CG 4.22Å; W1055-E1063 HydrophobicContact CZ3-CG 3.66Å; W1055-N1072 CarbonylContact O-C 3.56Å; W1055-N1072 WeakPolarHBondContact O-CA 3.27Å |
| 1056 | F | 86.6 | Confident | 82.5 | Confident | 47 Ų | 47 | 66.5 Ų | 66.5 | 21% | 0.206 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | -178.9 | 170.7 | 84.7 | -54.6 | 0 | 0 | 0 | 111.4 | C1060 E1061 R1062 E1063 P1065 C1073 | F1056-C1060 CarbonylContact O-C 3.35Å; F1056-C1060 WeakPolarHBondContact O-CA 3.42Å; F1056-E1061 PolarHBondContact O-N 3.41Å; F1056-R1062 HydrophobicContact CD1-CB 3.77Å; F1056-R1062 WeakPolarHBondContact CD1-O 3.35Å; F1056-R1062 HydrophobicContact CE1-CB 3.53Å; F1056-R1062 HydrophobicContact CE1-CG 4.5Å; F1056-R1062 HydrophobicContact CZ-CB 4.4Å; F1056-R1062 VanDerWaalsContact CZ-CZ 3.49Å; F1056-R1062 PolarHBondContact N-O 3.45Å; F1056-R1062 PolarHBondContact O-N 2.82Å; F1056-R1062 VanDerWaalsContact O-O 3.12Å; F1056-E1063 VanDerWaalsContact CE1-O 3.23Å; F1056-E1063 WeakPolarHBondContact CE1-O 3.47Å; F1056-P1065 HydrophobicContact CE1-CG 3.9Å; F1056-P1065 HydrophobicContact CE2-CG 4.31Å; F1056-P1065 HydrophobicContact CZ-CG 3.65Å; F1056-C1073 HydrophobicContact CB-CB 4.12Å; F1056-C1073 HydrophobicContact CG-CB 4.47Å |
| 1057 | G | 82.3 | Confident | 82.3 | Confident | 29 Ų | 29 | 64.1 Ų | 64.1 | 30% | 0.299 | 34% | 0.336 | S | S | . | . | S | Bend | trans | 116.3 | 175.4 | -173.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | R1059 E1061 | G1057-R1059 PolarHBondContact O-N 3.41Å; G1057-E1061 VanDerWaalsContact CA-OE2 3.26Å; G1057-E1061 WeakPolarHBondContact CA-OE2 3.36Å |
| 1058 | K | 77.4 | Confident | 82.7 | Confident | 189 Ų | 189 | 66 Ų | 66 | 82% | 0.822 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -72 | -16.5 | -178.9 | -73.1 | -166.4 | 175.4 | -170.2 | 0 | 113.1 | E1061 | K1058-E1061 PolarHBondContact N-OE1 3.13Å; K1058-E1061 PolarHBondContact N-OE2 3.38Å |
| 1059 | R | 82.1 | Confident | 82.9 | Confident | 99 Ų | 99 | 61.3 Ų | 61.3 | 37% | 0.374 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -133.7 | 13.2 | -177.6 | -58.6 | -174.7 | 179.2 | 175.6 | 4.9 | 111.8 | R1035 E1037 G1057 E1061 | R1035-R1059 VanDerWaalsContact O-CB 3.3Å; R1035-R1059 WeakPolarHBondContact O-CB 3.39Å; R1035-R1059 WeakPolarHBondContact O-CD 3.02Å; R1035-R1059 WeakPolarHBondContact O-CG 3.34Å; E1037-R1059 WeakPolarHBondContact CA-O 3.3Å; E1037-R1059 WeakPolarHBondContact CB-O 3.21Å; E1037-R1059 PolarHBondContact N-O 2.97Å; G1057-R1059 PolarHBondContact O-N 3.41Å; R1059-E1061 VanDerWaalsContact C-N 3.25Å; R1059-E1061 VanDerWaalsContact CA-OE2 3.31Å; R1059-E1061 WeakPolarHBondContact CA-OE2 3.28Å; R1059-E1061 HydrophobicContact CB-CB 4.49Å; R1059-E1061 WeakPolarHBondContact CB-OE2 3.41Å; R1059-E1061 PolarHBondContact N-OE2 3.01Å; R1059-E1061 PolarHBondContact O-N 2.96Å |
| 1060 | C | 86.3 | Confident | 82.9 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 32% | 0.317 | C | S | . | . | S | Bend | trans | 65.2 | 27.4 | -172.8 | -43.4 | 0 | 0 | 0 | 0 | 114 | N1038 C1051 W1055 F1056 R1062 | N1038-C1060 PolarHBondContact ND2-O 2.04Å; C1051-C1060 WeakPolarHBondContact CA-SG 3.25Å; C1051-C1060 HydrophobicContact CB-CB 3.58Å; C1051-C1060 WeakPolarHBondContact CB-SG 3.36Å; C1051-C1060 WeakPolarHBondContact SG-CA 3.04Å; C1051-C1060 WeakPolarHBondContact SG-CB 3.06Å; C1051-C1060 CovalentContact SG-SG 2.03Å; C1051-C1060 PolarHBondContact SG-SG 2.77Å; W1055-C1060 HydrophobicContact CB-CB 4.33Å; F1056-C1060 CarbonylContact O-C 3.35Å; F1056-C1060 WeakPolarHBondContact O-CA 3.42Å; C1060-R1062 VanDerWaalsContact C-N 3.29Å; C1060-R1062 PolarHBondContact O-N 2.8Å |
| 1061 | E | 85.6 | Confident | 82.9 | Confident | 83 Ų | 83 | 62.6 Ų | 62.6 | 39% | 0.388 | 33% | 0.326 | S | S | . | . | trans | -80.6 | 3.5 | -171.5 | 73.8 | -71.2 | -179.3 | 0 | 0 | 114.8 | F1056 G1057 K1058 R1059 | F1056-E1061 PolarHBondContact O-N 3.41Å; G1057-E1061 VanDerWaalsContact CA-OE2 3.26Å; G1057-E1061 WeakPolarHBondContact CA-OE2 3.36Å; K1058-E1061 PolarHBondContact N-OE1 3.13Å; K1058-E1061 PolarHBondContact N-OE2 3.38Å; R1059-E1061 VanDerWaalsContact C-N 3.25Å; R1059-E1061 VanDerWaalsContact CA-OE2 3.31Å; R1059-E1061 WeakPolarHBondContact CA-OE2 3.28Å; R1059-E1061 HydrophobicContact CB-CB 4.49Å; R1059-E1061 WeakPolarHBondContact CB-OE2 3.41Å; R1059-E1061 PolarHBondContact N-OE2 3.01Å; R1059-E1061 PolarHBondContact O-N 2.96Å | ||
| 1062 | R | 86.9 | Confident | 82.7 | Confident | 142 Ų | 142 | 65.5 Ų | 65.5 | 54% | 0.536 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 140.6 | -175.7 | -58.7 | 174.5 | 63.3 | -171.4 | -1.6 | 112.9 | W1055 F1056 C1060 | W1055-R1062 CarbonylContact C-O 3.5Å; W1055-R1062 WeakPolarHBondContact CA-O 3.32Å; F1056-R1062 HydrophobicContact CD1-CB 3.77Å; F1056-R1062 WeakPolarHBondContact CD1-O 3.35Å; F1056-R1062 HydrophobicContact CE1-CB 3.53Å; F1056-R1062 HydrophobicContact CE1-CG 4.5Å; F1056-R1062 HydrophobicContact CZ-CB 4.4Å; F1056-R1062 VanDerWaalsContact CZ-CZ 3.49Å; F1056-R1062 PolarHBondContact N-O 3.45Å; F1056-R1062 PolarHBondContact O-N 2.82Å; F1056-R1062 VanDerWaalsContact O-O 3.12Å; C1060-R1062 VanDerWaalsContact C-N 3.29Å; C1060-R1062 PolarHBondContact O-N 2.8Å |
| 1063 | E | 82.3 | Confident | 82.8 | Confident | 145 Ų | 145 | 63.4 Ų | 63.4 | 68% | 0.678 | 33% | 0.328 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 152.1 | 169.2 | -60 | 179.1 | 166.3 | 0 | 0 | 111.4 | G1054 W1055 F1056 | G1054-E1063 CarbonylContact O-C 3.42Å; G1054-E1063 WeakPolarHBondContact O-CA 3.46Å; W1055-E1063 HydrophobicContact CE3-CG 4.23Å; W1055-E1063 HydrophobicContact CH2-CG 3.64Å; W1055-E1063 HydrophobicContact CZ2-CG 4.22Å; W1055-E1063 HydrophobicContact CZ3-CG 3.66Å; F1056-E1063 VanDerWaalsContact CE1-O 3.23Å; F1056-E1063 WeakPolarHBondContact CE1-O 3.47Å |
| 1064 | C | 84.4 | Confident | 82.7 | Confident | 17 Ų | 17 | 65.8 Ų | 65.8 | 12% | 0.115 | 35% | 0.348 | C | S | . | . | P | Polyproline II helix | trans | -56.6 | 138.5 | -179 | -62.9 | 0 | 0 | 0 | 0 | 113.4 | G1054 L1068 C1073 P1087 | G1054-C1064 WeakPolarHBondContact CA-SG 3.4Å; G1054-C1064 PolarHBondContact O-N 3.24Å; G1054-C1064 PolarHBondContact O-SG 3.2Å; G1054-C1064 VanDerWaalsContact O-SG 3.4Å; C1064-L1068 WeakPolarHBondContact CB-O 3.43Å; C1064-C1073 WeakPolarHBondContact CA-SG 3.39Å; C1064-C1073 HydrophobicContact CB-CB 3.8Å; C1064-C1073 WeakPolarHBondContact CB-SG 3.25Å; C1064-C1073 WeakPolarHBondContact SG-CB 2.99Å; C1064-C1073 CovalentContact SG-SG 2.03Å; C1064-C1073 PolarHBondContact SG-SG 2.82Å; C1064-P1087 HydrophobicContact CB-CB 4.15Å |
| 1065 | P | 82.1 | Confident | 82.1 | Confident | 50 Ų | 50 | 70.8 Ų | 70.8 | 33% | 0.325 | 37% | 0.369 | S | S | . | . | P | Polyproline II helix | trans | -61.1 | 148.1 | 167.7 | -19.2 | 32.9 | 0 | 0 | 0 | 111.3 | F1056 G1067 L1068 | F1056-P1065 HydrophobicContact CE1-CG 3.9Å; F1056-P1065 HydrophobicContact CE2-CG 4.31Å; F1056-P1065 HydrophobicContact CZ-CG 3.65Å; P1065-G1067 PolarHBondContact O-N 3.1Å; P1065-G1067 VanDerWaalsContact O-N 3.17Å; P1065-L1068 HydrophobicContact CB-CD1 4.33Å; P1065-L1068 HydrophobicContact CG-CD1 4.1Å; P1065-L1068 PolarHBondContact O-N 2.66Å |
| 1066 | V | 79.2 | Confident | 81.8 | Confident | 162 Ų | 162 | 73 Ų | 73 | 98% | 0.982 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | 122 | 176.1 | -176.1 | 0 | 0 | 0 | 0 | 109.8 | ||
| 1067 | G | 75.9 | Confident | 81.5 | Confident | 23 Ų | 23 | 71.3 Ų | 71.3 | 24% | 0.237 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 104.9 | -3.4 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115 | P1065 C1077 | P1065-G1067 PolarHBondContact O-N 3.1Å; P1065-G1067 VanDerWaalsContact O-N 3.17Å; G1067-C1077 VanDerWaalsContact C-SG 3.5Å; G1067-C1077 WeakPolarHBondContact O-CB 3.26Å; G1067-C1077 PolarHBondContact O-N 3.01Å |
| 1068 | L | 84.9 | Confident | 81.3 | Confident | 58 Ų | 58 | 76.7 Ų | 76.7 | 30% | 0.304 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 147.7 | 176 | -64.1 | 171.7 | 0 | 0 | 0 | 111.7 | C1064 P1065 C1073 Q1075 | C1064-L1068 WeakPolarHBondContact CB-O 3.43Å; P1065-L1068 HydrophobicContact CB-CD1 4.33Å; P1065-L1068 HydrophobicContact CG-CD1 4.1Å; P1065-L1068 PolarHBondContact O-N 2.66Å; L1068-C1073 HydrophobicContact CB-CB 4.07Å; L1068-Q1075 CarbonylContact C-O 3.32Å; L1068-Q1075 WeakPolarHBondContact CA-O 3.04Å |
| 1069 | H | 83.7 | Confident | 81.3 | Confident | 23 Ų | 23 | 68.9 Ų | 68.9 | 11% | 0.106 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 174.4 | 178.1 | 75.8 | 83.7 | 0 | 0 | 0 | 113.2 | C1073 A1074 Q1075 P1087 G1090 | H1069-C1073 CarbonylContact O-C 3.59Å; H1069-C1073 VanDerWaalsContact O-C 3.27Å; H1069-C1073 WeakPolarHBondContact O-CA 3.41Å; H1069-A1074 PolarHBondContact O-N 2.98Å; H1069-Q1075 VanDerWaalsContact CE1-CB 3.47Å; H1069-Q1075 WeakPolarHBondContact CE1-CB 3.15Å; H1069-Q1075 PolarHBondContact CE1-OE1 2.02Å; H1069-Q1075 PolarHBondContact N-O 2.58Å; H1069-Q1075 PolarHBondContact ND1-OE1 3.17Å; H1069-Q1075 WeakPolarHBondContact O-CB 3.48Å; H1069-Q1075 PolarHBondContact O-N 3.22Å; H1069-Q1075 VanDerWaalsContact O-N 3.09Å; H1069-P1087 CarbonylContact C-O 3.55Å; H1069-P1087 WeakPolarHBondContact CA-O 3.46Å; H1069-P1087 WeakPolarHBondContact CB-O 3.25Å; H1069-G1090 VanDerWaalsContact CG-CA 3.46Å |
| 1070 | G | 81.5 | Confident | 80.8 | Confident | 3 Ų | 3 | 68.6 Ų | 68.6 | 3% | 0.031 | 37% | 0.368 | C | S | . | . | S | Bend | trans | 83 | -171.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | A1053 G1054 C1073 P1087 | A1053-G1070 WeakPolarHBondContact CA-O 3.16Å; G1054-G1070 PolarHBondContact N-O 3.24Å; G1070-C1073 WeakPolarHBondContact O-CA 3.19Å; G1070-C1073 PolarHBondContact O-N 3.39Å; G1070-P1087 PolarHBondContact N-O 2.97Å |
| 1071 | V | 81.1 | Confident | 80.2 | Confident | 85 Ų | 85 | 71.7 Ų | 71.7 | 52% | 0.515 | 38% | 0.384 | S | S | . | . | G | 310 helix | trans | -58.7 | 133.5 | 178.5 | 172.2 | 0 | 0 | 0 | 0 | 109.6 | C1051 C1073 A1074 | C1051-V1071 WeakPolarHBondContact O-CA 3.42Å; C1051-V1071 WeakPolarHBondContact O-CG1 3.44Å; V1071-C1073 PolarHBondContact O-N 3.43Å; V1071-A1074 WeakPolarHBondContact O-CB 3.38Å; V1071-A1074 PolarHBondContact O-N 2.98Å |
| 1072 | N | 80.5 | Confident | 79.4 | Confident | 63 Ų | 63 | 74.8 Ų | 74.8 | 34% | 0.337 | 40% | 0.404 | S | S | . | . | G | 310 helix | trans | 53.6 | 13.7 | -171.2 | -67 | -32.8 | 0 | 0 | 0 | 115.3 | C1051 W1055 A1074 | C1051-N1072 VanDerWaalsContact CB-OD1 3.32Å; C1051-N1072 WeakPolarHBondContact CB-OD1 3.41Å; C1051-N1072 PolarHBondContact N-OD1 3.45Å; C1051-N1072 PolarHBondContact O-N 2.03Å; C1051-N1072 PolarHBondContact SG-OD1 2.92Å; W1055-N1072 CarbonylContact O-C 3.56Å; W1055-N1072 WeakPolarHBondContact O-CA 3.27Å; N1072-A1074 HydrophobicContact CB-CB 4.43Å; N1072-A1074 PolarHBondContact O-N 2.88Å |
| 1073 | C | 83.1 | Confident | 78.9 | Confident | 5 Ų | 5 | 68.7 Ų | 68.7 | 3% | 0.034 | 38% | 0.384 | C | S | . | . | G | 310 helix | trans | 53.5 | 31.4 | -167 | -49.5 | 0 | 0 | 0 | 0 | 113.3 | F1056 C1064 L1068 H1069 G1070 V1071 Q1075 | F1056-C1073 HydrophobicContact CB-CB 4.12Å; F1056-C1073 HydrophobicContact CG-CB 4.47Å; C1064-C1073 WeakPolarHBondContact CA-SG 3.39Å; C1064-C1073 HydrophobicContact CB-CB 3.8Å; C1064-C1073 WeakPolarHBondContact CB-SG 3.25Å; C1064-C1073 WeakPolarHBondContact SG-CB 2.99Å; C1064-C1073 CovalentContact SG-SG 2.03Å; C1064-C1073 PolarHBondContact SG-SG 2.82Å; L1068-C1073 HydrophobicContact CB-CB 4.07Å; H1069-C1073 CarbonylContact O-C 3.59Å; H1069-C1073 VanDerWaalsContact O-C 3.27Å; H1069-C1073 WeakPolarHBondContact O-CA 3.41Å; G1070-C1073 WeakPolarHBondContact O-CA 3.19Å; G1070-C1073 PolarHBondContact O-N 3.39Å; V1071-C1073 PolarHBondContact O-N 3.43Å; C1073-Q1075 VanDerWaalsContact C-N 3.29Å; C1073-Q1075 PolarHBondContact O-N 2.76Å |
| 1074 | A | 80 | Confident | 78.6 | Confident | 84 Ų | 84 | 67.1 Ų | 67.1 | 69% | 0.694 | 38% | 0.38 | S | S | * | . | trans | -78.7 | -4.7 | -170.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | H1069 V1071 N1072 | H1069-A1074 PolarHBondContact O-N 2.98Å; V1071-A1074 WeakPolarHBondContact O-CB 3.38Å; V1071-A1074 PolarHBondContact O-N 2.98Å; N1072-A1074 HydrophobicContact CB-CB 4.43Å; N1072-A1074 PolarHBondContact O-N 2.88Å | ||
| 1075 | Q | 70.9 | Confident | 78.5 | Confident | 109 Ų | 109 | 67.4 Ų | 67.4 | 51% | 0.509 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 137.2 | -178.1 | -61.1 | 177 | -55 | 0 | 0 | 110.3 | L1068 H1069 C1073 | L1068-Q1075 CarbonylContact C-O 3.32Å; L1068-Q1075 WeakPolarHBondContact CA-O 3.04Å; H1069-Q1075 VanDerWaalsContact CE1-CB 3.47Å; H1069-Q1075 WeakPolarHBondContact CE1-CB 3.15Å; H1069-Q1075 PolarHBondContact CE1-OE1 2.02Å; H1069-Q1075 PolarHBondContact N-O 2.58Å; H1069-Q1075 PolarHBondContact ND1-OE1 3.17Å; H1069-Q1075 WeakPolarHBondContact O-CB 3.48Å; H1069-Q1075 PolarHBondContact O-N 3.22Å; H1069-Q1075 VanDerWaalsContact O-N 3.09Å; C1073-Q1075 VanDerWaalsContact C-N 3.29Å; C1073-Q1075 PolarHBondContact O-N 2.76Å |
| 1076 | H | 80 | Confident | 78.4 | Confident | 116 Ų | 116 | 67.8 Ų | 67.8 | 54% | 0.537 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 132.9 | 177.8 | -164.8 | -73.8 | 0 | 0 | 0 | 110.5 | H1078 | H1076-H1078 PolarHBondContact O-CD2 3.46Å; H1076-H1078 PolarHBondContact O-N 2.99Å |
| 1077 | C | 80.6 | Confident | 78.4 | Confident | 12 Ų | 12 | 62.9 Ų | 62.9 | 8% | 0.081 | 35% | 0.352 | C | S | . | . | trans | -66.1 | 116.9 | 172.4 | -65 | 0 | 0 | 0 | 0 | 109.6 | G1067 C1079 C1085 | G1067-C1077 VanDerWaalsContact C-SG 3.5Å; G1067-C1077 WeakPolarHBondContact O-CB 3.26Å; G1067-C1077 PolarHBondContact O-N 3.01Å; C1077-C1079 PolarHBondContact O-N 2.93Å; C1077-C1085 HydrophobicContact CB-CB 3.52Å; C1077-C1085 WeakPolarHBondContact CB-SG 3.45Å; C1077-C1085 WeakPolarHBondContact SG-CB 3.21Å; C1077-C1085 CovalentContact SG-SG 2.03Å; C1077-C1085 PolarHBondContact SG-SG 3.23Å | ||
| 1078 | H | 78.1 | Confident | 78.7 | Confident | 143 Ų | 143 | 69.7 Ų | 69.7 | 66% | 0.662 | 37% | 0.371 | S | S | * | . | trans | -87.4 | 22 | 179 | -72.7 | -80.1 | 0 | 0 | 0 | 113.3 | H1076 L1080 A1102 | H1076-H1078 PolarHBondContact O-CD2 3.46Å; H1076-H1078 PolarHBondContact O-N 2.99Å; H1078-L1080 PolarHBondContact O-N 3.27Å; H1078-L1080 VanDerWaalsContact O-N 3.14Å; H1078-A1102 WeakPolarHBondContact O-CB 3.4Å | ||
| 1079 | C | 78.8 | Confident | 78.5 | Confident | 24 Ų | 24 | 71.2 Ų | 71.2 | 16% | 0.162 | 38% | 0.383 | C | S | . | . | trans | -71.5 | 106 | -178.4 | -48.6 | 0 | 0 | 0 | 0 | 111.5 | C1077 G1083 C1092 | C1077-C1079 PolarHBondContact O-N 2.93Å; C1079-G1083 VanDerWaalsContact CB-O 3.26Å; C1079-G1083 WeakPolarHBondContact CB-O 3.33Å; C1079-C1092 WeakPolarHBondContact CA-SG 3.13Å; C1079-C1092 HydrophobicContact CB-CB 3.78Å; C1079-C1092 WeakPolarHBondContact CB-SG 3.47Å; C1079-C1092 VanDerWaalsContact SG-CA 3.53Å; C1079-C1092 WeakPolarHBondContact SG-CB 3.21Å; C1079-C1092 CovalentContact SG-SG 2.04Å; C1079-C1092 PolarHBondContact SG-SG 2.93Å | ||
| 1080 | L | 71.6 | Confident | 78.1 | Confident | 93 Ų | 93 | 70.9 Ų | 70.9 | 49% | 0.487 | 39% | 0.385 | S | S | . | . | trans | -75.4 | 170 | 173 | -62.7 | 169.7 | 0 | 0 | 0 | 110.9 | H1078 N1082 G1083 A1102 E1104 | H1078-L1080 PolarHBondContact O-N 3.27Å; H1078-L1080 VanDerWaalsContact O-N 3.14Å; L1080-N1082 VanDerWaalsContact C-N 3.3Å; L1080-N1082 PolarHBondContact O-N 3.17Å; L1080-N1082 VanDerWaalsContact O-N 3.15Å; L1080-G1083 PolarHBondContact O-N 3.35Å; L1080-A1102 WeakPolarHBondContact CB-O 3.22Å; L1080-A1102 PolarHBondContact N-O 3.47Å; L1080-E1104 HydrophobicContact CD1-CB 3.84Å | ||
| 1081 | N | 73.4 | Confident | 77.9 | Confident | 65 Ų | 65 | 77.4 Ų | 77.4 | 35% | 0.348 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53 | 41.1 | 168.1 | -56.4 | -57.8 | 0 | 0 | 0 | 114.8 | G1083 W1098 C1103 | N1081-G1083 VanDerWaalsContact C-N 3.27Å; N1081-G1083 PolarHBondContact O-N 2.84Å; N1081-W1098 HydrophobicContact CB-CD2 3.57Å; N1081-W1098 HydrophobicContact CB-CE3 4.07Å; N1081-W1098 HydrophobicContact CB-CG 3.77Å; N1081-W1098 HydrophobicContact CB-CZ2 4.12Å; N1081-W1098 WeakPolarHBondContact ND2-CZ3 3.32Å; N1081-W1098 WeakPolarHBondContact OD1-CH2 3.28Å; N1081-W1098 WeakPolarHBondContact OD1-CZ2 3.24Å; N1081-C1103 PolarHBondContact ND2-O 2.76Å |
| 1082 | N | 67.9 | Low | 77.9 | Confident | 149 Ų | 149 | 74.2 Ų | 74.2 | 80% | 0.797 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.9 | 28.4 | -177.3 | -60.5 | -11.4 | 0 | 0 | 0 | 114.7 | L1080 | L1080-N1082 VanDerWaalsContact C-N 3.3Å; L1080-N1082 PolarHBondContact O-N 3.17Å; L1080-N1082 VanDerWaalsContact O-N 3.15Å |
| 1083 | G | 76 | Confident | 77.9 | Confident | 13 Ų | 13 | 79.7 Ų | 79.7 | 13% | 0.134 | 41% | 0.412 | C | S | . | . | P | Polyproline II helix | trans | -62 | 135.2 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | C1079 L1080 N1081 R1093 | C1079-G1083 VanDerWaalsContact CB-O 3.26Å; C1079-G1083 WeakPolarHBondContact CB-O 3.33Å; L1080-G1083 PolarHBondContact O-N 3.35Å; N1081-G1083 VanDerWaalsContact C-N 3.27Å; N1081-G1083 PolarHBondContact O-N 2.84Å; G1083-R1093 WeakPolarHBondContact CA-O 3.03Å |
| 1084 | I | 76.1 | Confident | 77.8 | Confident | 112 Ų | 112 | 79.9 Ų | 79.9 | 57% | 0.574 | 41% | 0.414 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 119.7 | -179.4 | -60.2 | 173.5 | 0 | 0 | 0 | 109.2 | R1093 | I1084-R1093 PolarHBondContact N-O 2.93Å; I1084-R1093 PolarHBondContact O-N 3.18Å |
| 1085 | C | 82.9 | Confident | 77.9 | Confident | 24 Ų | 24 | 77.2 Ų | 77.2 | 16% | 0.162 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 139.7 | -178.1 | -170.8 | 0 | 0 | 0 | 0 | 112.4 | C1077 E1091 | C1077-C1085 HydrophobicContact CB-CB 3.52Å; C1077-C1085 WeakPolarHBondContact CB-SG 3.45Å; C1077-C1085 WeakPolarHBondContact SG-CB 3.21Å; C1077-C1085 CovalentContact SG-SG 2.03Å; C1077-C1085 PolarHBondContact SG-SG 3.23Å; C1085-E1091 CarbonylContact C-O 3.52Å; C1085-E1091 WeakPolarHBondContact CA-O 3.19Å |
| 1086 | D | 80.8 | Confident | 78.3 | Confident | 57 Ų | 57 | 74.8 Ų | 74.8 | 31% | 0.305 | 39% | 0.385 | S | S | . | . | P | Polyproline II helix | trans | -76.2 | 123.9 | 163.9 | -177.1 | -73.2 | 0 | 0 | 0 | 110.5 | R1088 T1089 G1090 E1091 | D1086-R1088 PolarHBondContact O-N 2.92Å; D1086-R1088 WeakPolarHBondContact OD1-CA 3.24Å; D1086-R1088 WeakPolarHBondContact OD1-CB 3.43Å; D1086-R1088 PolarHBondContact OD1-N 2.86Å; D1086-T1089 WeakPolarHBondContact CB-OG1 3.39Å; D1086-T1089 PolarHBondContact OD1-N 3.3Å; D1086-G1090 WeakPolarHBondContact O-CA 3.17Å; D1086-G1090 PolarHBondContact O-N 3.11Å; D1086-E1091 PolarHBondContact N-O 2.8Å |
| 1087 | P | 79.6 | Confident | 78.3 | Confident | 59 Ų | 59 | 69.2 Ų | 69.2 | 38% | 0.383 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -15.8 | -178 | -28.3 | 37 | 0 | 0 | 0 | 116.1 | G1054 C1064 H1069 G1070 | G1054-P1087 WeakPolarHBondContact CA-O 3.47Å; G1054-P1087 PolarHBondContact N-O 2.93Å; C1064-P1087 HydrophobicContact CB-CB 4.15Å; H1069-P1087 CarbonylContact C-O 3.55Å; H1069-P1087 WeakPolarHBondContact CA-O 3.46Å; H1069-P1087 WeakPolarHBondContact CB-O 3.25Å; G1070-P1087 PolarHBondContact N-O 2.97Å |
| 1088 | R | 80.4 | Confident | 78.5 | Confident | 167 Ų | 167 | 71.4 Ų | 71.4 | 63% | 0.63 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.9 | -42.1 | -174.5 | -53.5 | -170.6 | -72.3 | -169.3 | -5.7 | 112.1 | A1053 D1086 | A1053-R1088 HydrophobicContact CB-CB 4.26Å; A1053-R1088 WeakPolarHBondContact O-CG 3.44Å; D1086-R1088 PolarHBondContact O-N 2.92Å; D1086-R1088 WeakPolarHBondContact OD1-CA 3.24Å; D1086-R1088 WeakPolarHBondContact OD1-CB 3.43Å; D1086-R1088 PolarHBondContact OD1-N 2.86Å |
| 1089 | T | 81.2 | Confident | 78.7 | Confident | 90 Ų | 90 | 67.7 Ų | 67.7 | 55% | 0.552 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.7 | -22.1 | -178.5 | 67 | 0 | 0 | 0 | 0 | 114.1 | D1086 E1091 | D1086-T1089 WeakPolarHBondContact CB-OG1 3.39Å; D1086-T1089 PolarHBondContact OD1-N 3.3Å; T1089-E1091 VanDerWaalsContact C-N 3.27Å; T1089-E1091 WeakPolarHBondContact OG1-CB 3.15Å; T1089-E1091 PolarHBondContact OG1-N 3.14Å |
| 1090 | G | 76.5 | Confident | 78.7 | Confident | 15 Ų | 15 | 68.1 Ų | 68.1 | 16% | 0.155 | 36% | 0.358 | C | S | . | . | trans | 78.5 | 4.6 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | H1069 D1086 | H1069-G1090 VanDerWaalsContact CG-CA 3.46Å; D1086-G1090 WeakPolarHBondContact O-CA 3.17Å; D1086-G1090 PolarHBondContact O-N 3.11Å | ||
| 1091 | E | 75.4 | Confident | 78.9 | Confident | 140 Ų | 140 | 68.8 Ų | 68.8 | 65% | 0.654 | 37% | 0.371 | S | S | * | . | trans | -69.4 | 130.1 | -175.4 | -170.2 | 179.8 | 163.1 | 0 | 0 | 112.1 | C1085 D1086 T1089 | C1085-E1091 CarbonylContact C-O 3.52Å; C1085-E1091 WeakPolarHBondContact CA-O 3.19Å; D1086-E1091 PolarHBondContact N-O 2.8Å; T1089-E1091 VanDerWaalsContact C-N 3.27Å; T1089-E1091 WeakPolarHBondContact OG1-CB 3.15Å; T1089-E1091 PolarHBondContact OG1-N 3.14Å | ||
| 1092 | C | 82.4 | Confident | 79.1 | Confident | 18 Ų | 18 | 66.8 Ų | 66.8 | 12% | 0.122 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 108 | -175.9 | -62.6 | 0 | 0 | 0 | 0 | 112.6 | C1079 C1094 | C1079-C1092 WeakPolarHBondContact CA-SG 3.13Å; C1079-C1092 HydrophobicContact CB-CB 3.78Å; C1079-C1092 WeakPolarHBondContact CB-SG 3.47Å; C1079-C1092 VanDerWaalsContact SG-CA 3.53Å; C1079-C1092 WeakPolarHBondContact SG-CB 3.21Å; C1079-C1092 CovalentContact SG-SG 2.04Å; C1079-C1092 PolarHBondContact SG-SG 2.93Å; C1092-C1094 PolarHBondContact O-N 2.72Å |
| 1093 | R | 79.4 | Confident | 79.9 | Confident | 178 Ų | 178 | 59.7 Ų | 59.7 | 67% | 0.672 | 33% | 0.325 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 100.7 | 165.9 | -74.4 | -178 | 60.2 | -120.1 | -3.6 | 110.3 | G1083 I1084 | G1083-R1093 WeakPolarHBondContact CA-O 3.03Å; I1084-R1093 PolarHBondContact N-O 2.93Å; I1084-R1093 PolarHBondContact O-N 3.18Å |
| 1094 | C | 82.8 | Confident | 80.1 | Confident | 10 Ų | 10 | 62.1 Ų | 62.1 | 7% | 0.068 | 33% | 0.333 | C | S | . | . | P | Polyproline II helix | trans | -66 | 140.2 | -176.1 | -55.4 | 0 | 0 | 0 | 0 | 114 | C1092 W1098 C1103 | C1092-C1094 PolarHBondContact O-N 2.72Å; C1094-W1098 HydrophobicContact CB-CB 4.23Å; C1094-W1098 WeakPolarHBondContact CB-O 3.36Å; C1094-C1103 WeakPolarHBondContact CA-SG 3.26Å; C1094-C1103 HydrophobicContact CB-CB 3.8Å; C1094-C1103 WeakPolarHBondContact CB-SG 3.36Å; C1094-C1103 WeakPolarHBondContact SG-CA 3.28Å; C1094-C1103 WeakPolarHBondContact SG-CB 3.41Å; C1094-C1103 CovalentContact SG-SG 2.04Å; C1094-C1103 PolarHBondContact SG-SG 2.65Å |
| 1095 | A | 80.4 | Confident | 80.4 | Confident | 27 Ų | 27 | 62.9 Ų | 62.9 | 22% | 0.223 | 33% | 0.332 | C | S | . | . | P | Polyproline II helix | trans | -63.4 | 156.2 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | G1097 W1098 | A1095-G1097 PolarHBondContact O-N 3.33Å; A1095-W1098 PolarHBondContact O-N 3.39Å |
| 1096 | P | 80 | Confident | 80.2 | Confident | 58 Ų | 58 | 69.5 Ų | 69.5 | 38% | 0.377 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56 | 129.3 | -179.8 | -25.9 | 35.3 | 0 | 0 | 0 | 113.3 | G1113 P1114 V1131 | P1096-G1113 WeakPolarHBondContact CA-O 3.05Å; P1096-P1114 HydrophobicContact CG-CB 4.33Å; P1096-V1131 HydrophobicContact CB-CG1 4.06Å |
| 1097 | G | 80.9 | Confident | 80.3 | Confident | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 104.7 | -6.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | A1095 R1106 C1107 G1113 H1130 | A1095-G1097 PolarHBondContact O-N 3.33Å; G1097-R1106 WeakPolarHBondContact O-CA 3.41Å; G1097-C1107 VanDerWaalsContact CA-SG 3.54Å; G1097-C1107 PolarHBondContact O-N 3.46Å; G1097-C1107 PolarHBondContact O-SG 3.03Å; G1097-C1107 VanDerWaalsContact O-SG 3.32Å; G1097-G1113 PolarHBondContact N-O 2.86Å; G1097-H1130 VanDerWaalsContact CA-O 3.28Å; G1097-H1130 WeakPolarHBondContact CA-O 3.37Å; G1097-H1130 PolarHBondContact N-O 3.48Å |
| 1098 | W | 85 | Confident | 80.2 | Confident | 58 Ų | 58 | 67.3 Ų | 67.3 | 22% | 0.22 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 150 | -173.7 | -57.3 | 92.5 | 0 | 0 | 0 | 113.4 | N1081 C1094 A1095 C1103 F1105 R1106 S1115 | N1081-W1098 HydrophobicContact CB-CD2 3.57Å; N1081-W1098 HydrophobicContact CB-CE3 4.07Å; N1081-W1098 HydrophobicContact CB-CG 3.77Å; N1081-W1098 HydrophobicContact CB-CZ2 4.12Å; N1081-W1098 WeakPolarHBondContact ND2-CZ3 3.32Å; N1081-W1098 WeakPolarHBondContact OD1-CH2 3.28Å; N1081-W1098 WeakPolarHBondContact OD1-CZ2 3.24Å; C1094-W1098 HydrophobicContact CB-CB 4.23Å; C1094-W1098 WeakPolarHBondContact CB-O 3.36Å; A1095-W1098 PolarHBondContact O-N 3.39Å; W1098-C1103 HydrophobicContact CB-CB 4.27Å; W1098-F1105 CarbonylContact C-O 3.55Å; W1098-F1105 WeakPolarHBondContact CA-O 3.01Å; W1098-R1106 HydrophobicContact CE3-CG 3.96Å; W1098-R1106 HydrophobicContact CH2-CG 3.69Å; W1098-R1106 HydrophobicContact CZ2-CG 4.34Å; W1098-R1106 HydrophobicContact CZ3-CB 4.43Å; W1098-R1106 HydrophobicContact CZ3-CG 3.47Å; W1098-R1106 VanDerWaalsContact CZ3-CG 3.47Å; W1098-S1115 WeakPolarHBondContact O-CA 3.25Å |
| 1099 | M | 81.6 | Confident | 80 | Confident | 64 Ų | 64 | 69.2 Ų | 69.2 | 32% | 0.315 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 179 | 178.7 | 58.1 | 153.3 | 59.3 | 0 | 0 | 110.6 | C1103 E1104 F1105 C1116 | M1099-C1103 CarbonylContact O-C 3.56Å; M1099-C1103 WeakPolarHBondContact O-CA 3.14Å; M1099-E1104 PolarHBondContact O-N 3.09Å; M1099-F1105 HydrophobicContact CG-CB 4.17Å; M1099-F1105 PolarHBondContact N-O 2.94Å; M1099-F1105 PolarHBondContact O-N 3.09Å; M1099-F1105 VanDerWaalsContact O-O 3.05Å; M1099-C1116 HydrophobicContact CB-CB 4.4Å; M1099-C1116 HydrophobicContact CE-CB 3.48Å; M1099-C1116 VanDerWaalsContact CE-CB 3.48Å |
| 1100 | G | 77.5 | Confident | 79.8 | Confident | 33 Ų | 33 | 66.6 Ų | 66.6 | 34% | 0.34 | 35% | 0.351 | S | S | . | . | S | Bend | trans | 96.2 | 162 | -167.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | A1102 C1103 E1104 | G1100-A1102 PolarHBondContact O-N 2.76Å; G1100-C1103 PolarHBondContact O-N 3.09Å; G1100-E1104 VanDerWaalsContact CA-OE2 3.26Å; G1100-E1104 WeakPolarHBondContact CA-OE2 3.46Å |
| 1101 | S | 76.1 | Confident | 80.2 | Confident | 108 Ų | 108 | 71.2 Ų | 71.2 | 76% | 0.755 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -21.7 | -174.4 | 47.6 | 0 | 0 | 0 | 0 | 113.2 | E1104 | S1101-E1104 PolarHBondContact N-OE2 2.04Š|
| 1102 | A | 78.7 | Confident | 80.7 | Confident | 23 Ų | 23 | 68.3 Ų | 68.3 | 19% | 0.19 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.2 | 11.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | H1078 L1080 G1100 E1104 | H1078-A1102 WeakPolarHBondContact O-CB 3.4Å; L1080-A1102 WeakPolarHBondContact CB-O 3.22Å; L1080-A1102 PolarHBondContact N-O 3.47Å; G1100-A1102 PolarHBondContact O-N 2.76Å; A1102-E1104 VanDerWaalsContact C-OE2 3.27Å; A1102-E1104 VanDerWaalsContact CA-OE2 3.29Å; A1102-E1104 WeakPolarHBondContact CA-OE2 3.02Å; A1102-E1104 HydrophobicContact CB-CB 4.48Å; A1102-E1104 WeakPolarHBondContact CB-OE2 3.46Å; A1102-E1104 PolarHBondContact N-OE2 2.85Å; A1102-E1104 PolarHBondContact O-N 3.03Å |
| 1103 | C | 85.3 | Confident | 80.6 | Confident | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 35% | 0.345 | C | S | . | . | S | Bend | trans | 58.5 | 29.6 | -171.6 | -49.2 | 0 | 0 | 0 | 0 | 113.8 | N1081 C1094 W1098 M1099 G1100 | N1081-C1103 PolarHBondContact ND2-O 2.76Å; C1094-C1103 WeakPolarHBondContact CA-SG 3.26Å; C1094-C1103 HydrophobicContact CB-CB 3.8Å; C1094-C1103 WeakPolarHBondContact CB-SG 3.36Å; C1094-C1103 WeakPolarHBondContact SG-CA 3.28Å; C1094-C1103 WeakPolarHBondContact SG-CB 3.41Å; C1094-C1103 CovalentContact SG-SG 2.04Å; C1094-C1103 PolarHBondContact SG-SG 2.65Å; W1098-C1103 HydrophobicContact CB-CB 4.27Å; M1099-C1103 CarbonylContact O-C 3.56Å; M1099-C1103 WeakPolarHBondContact O-CA 3.14Å; G1100-C1103 PolarHBondContact O-N 3.09Å |
| 1104 | E | 80.2 | Confident | 80.5 | Confident | 64 Ų | 64 | 62.7 Ų | 62.7 | 30% | 0.299 | 34% | 0.336 | S | S | . | . | trans | -76.6 | -26.9 | -172.5 | 69.8 | -81.5 | -160.4 | 0 | 0 | 113.8 | L1080 M1099 G1100 S1101 A1102 | L1080-E1104 HydrophobicContact CD1-CB 3.84Å; M1099-E1104 PolarHBondContact O-N 3.09Å; G1100-E1104 VanDerWaalsContact CA-OE2 3.26Å; G1100-E1104 WeakPolarHBondContact CA-OE2 3.46Å; S1101-E1104 PolarHBondContact N-OE2 2.04Å; A1102-E1104 VanDerWaalsContact C-OE2 3.27Å; A1102-E1104 VanDerWaalsContact CA-OE2 3.29Å; A1102-E1104 WeakPolarHBondContact CA-OE2 3.02Å; A1102-E1104 HydrophobicContact CB-CB 4.48Å; A1102-E1104 WeakPolarHBondContact CB-OE2 3.46Å; A1102-E1104 PolarHBondContact N-OE2 2.85Å; A1102-E1104 PolarHBondContact O-N 3.03Å | ||
| 1105 | F | 80.8 | Confident | 80.1 | Confident | 127 Ų | 127 | 65.1 Ų | 65.1 | 56% | 0.557 | 35% | 0.353 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 137.6 | -177.4 | -55.4 | -61.4 | 0 | 0 | 0 | 111.5 | W1098 M1099 | W1098-F1105 CarbonylContact C-O 3.55Å; W1098-F1105 WeakPolarHBondContact CA-O 3.01Å; M1099-F1105 HydrophobicContact CG-CB 4.17Å; M1099-F1105 PolarHBondContact N-O 2.94Å; M1099-F1105 PolarHBondContact O-N 3.09Å; M1099-F1105 VanDerWaalsContact O-O 3.05Å |
| 1106 | R | 80.3 | Confident | 80.1 | Confident | 164 Ų | 164 | 64 Ų | 64 | 62% | 0.619 | 34% | 0.344 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 157.8 | 164.1 | -61 | -169.5 | -45.3 | -131.5 | -1.5 | 109.9 | G1097 W1098 A1108 | G1097-R1106 WeakPolarHBondContact O-CA 3.41Å; W1098-R1106 HydrophobicContact CE3-CG 3.96Å; W1098-R1106 HydrophobicContact CH2-CG 3.69Å; W1098-R1106 HydrophobicContact CZ2-CG 4.34Å; W1098-R1106 HydrophobicContact CZ3-CB 4.43Å; W1098-R1106 HydrophobicContact CZ3-CG 3.47Å; W1098-R1106 VanDerWaalsContact CZ3-CG 3.47Å; R1106-A1108 PolarHBondContact O-N 3.15Å |
| 1107 | C | 82.8 | Confident | 80 | Confident | 15 Ų | 15 | 66.7 Ų | 66.7 | 10% | 0.101 | 36% | 0.359 | C | S | . | . | P | Polyproline II helix | trans | -50.6 | 136.6 | 168.2 | -56.3 | 0 | 0 | 0 | 0 | 112.3 | G1097 Y1111 C1116 H1130 | G1097-C1107 VanDerWaalsContact CA-SG 3.54Å; G1097-C1107 PolarHBondContact O-N 3.46Å; G1097-C1107 PolarHBondContact O-SG 3.03Å; G1097-C1107 VanDerWaalsContact O-SG 3.32Å; C1107-Y1111 VanDerWaalsContact CB-O 3.24Å; C1107-Y1111 WeakPolarHBondContact CB-O 3.26Å; C1107-C1116 WeakPolarHBondContact CA-SG 3.36Å; C1107-C1116 HydrophobicContact CB-CB 3.75Å; C1107-C1116 WeakPolarHBondContact CB-SG 3.24Å; C1107-C1116 VanDerWaalsContact SG-CA 3.57Å; C1107-C1116 WeakPolarHBondContact SG-CB 3.02Å; C1107-C1116 CovalentContact SG-SG 2.03Å; C1107-C1116 PolarHBondContact SG-SG 2.89Å; C1107-H1130 HydrophobicContact CB-CB 4.16Å |
| 1108 | A | 76.5 | Confident | 79.9 | Confident | 55 Ų | 55 | 67.6 Ų | 67.6 | 46% | 0.455 | 37% | 0.368 | S | S | . | . | P | Polyproline II helix | trans | -61 | 156.3 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | R1106 G1110 Y1111 | R1106-A1108 PolarHBondContact O-N 3.15Å; A1108-G1110 PolarHBondContact O-N 3.04Å; A1108-G1110 VanDerWaalsContact O-N 3.17Å; A1108-Y1111 HydrophobicContact CB-CD2 4.16Å; A1108-Y1111 PolarHBondContact O-N 3.31Å |
| 1109 | F | 76.9 | Confident | 79.6 | Confident | 207 Ų | 207 | 68.9 Ų | 68.9 | 91% | 0.908 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | 123 | 179.1 | -67.3 | -75 | 0 | 0 | 0 | 111.1 | ||
| 1110 | G | 77.3 | Confident | 79.5 | Confident | 34 Ų | 34 | 67 Ų | 67 | 35% | 0.351 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 98 | -0.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | A1108 T1119 C1120 | A1108-G1110 PolarHBondContact O-N 3.04Å; A1108-G1110 VanDerWaalsContact O-N 3.17Å; G1110-T1119 WeakPolarHBondContact O-CA 3.41Å; G1110-C1120 PolarHBondContact O-N 3.29Å |
| 1111 | Y | 84.5 | Confident | 79.4 | Confident | 112 Ų | 112 | 71.3 Ų | 71.3 | 44% | 0.439 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 150.8 | 179.8 | -63.5 | -95.4 | 0 | 0 | 0 | 112.7 | C1107 A1108 G1118 T1119 | C1107-Y1111 VanDerWaalsContact CB-O 3.24Å; C1107-Y1111 WeakPolarHBondContact CB-O 3.26Å; A1108-Y1111 HydrophobicContact CB-CD2 4.16Å; A1108-Y1111 PolarHBondContact O-N 3.31Å; Y1111-G1118 CarbonylContact C-O 3.24Å; Y1111-G1118 VanDerWaalsContact CA-O 3.28Å; Y1111-G1118 WeakPolarHBondContact CA-O 3.49Å; Y1111-T1119 HydrophobicContact CD1-CG2 3.84Å; Y1111-T1119 HydrophobicContact CE1-CG2 3.59Å |
| 1112 | Y | 85.3 | Confident | 79.6 | Confident | 79 Ų | 79 | 67.8 Ų | 67.8 | 31% | 0.31 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 169.6 | -177.8 | 79.2 | -84.3 | 0 | 0 | 0 | 114.1 | C1116 T1117 G1118 H1130 | Y1112-C1116 CarbonylContact O-C 3.53Å; Y1112-C1116 WeakPolarHBondContact O-CA 3.41Å; Y1112-T1117 PolarHBondContact O-N 2.84Å; Y1112-G1118 VanDerWaalsContact CD1-C 3.46Å; Y1112-G1118 WeakPolarHBondContact CD1-O 3.4Å; Y1112-G1118 PolarHBondContact N-O 3.34Å; Y1112-G1118 PolarHBondContact O-N 2.83Å; Y1112-H1130 CarbonylContact C-O 3.55Å; Y1112-H1130 WeakPolarHBondContact CA-O 3.1Å; Y1112-H1130 WeakPolarHBondContact CB-O 3.48Å |
| 1113 | G | 80 | Confident | 79.3 | Confident | 5 Ų | 5 | 72.9 Ų | 72.9 | 5% | 0.052 | 38% | 0.38 | C | S | . | . | S | Bend | trans | 88.5 | -174.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | P1096 G1097 S1115 C1116 H1130 | P1096-G1113 WeakPolarHBondContact CA-O 3.05Å; G1097-G1113 PolarHBondContact N-O 2.86Å; G1113-S1115 PolarHBondContact O-N 2.92Å; G1113-C1116 PolarHBondContact O-N 2.9Å; G1113-H1130 PolarHBondContact N-O 2.77Å |
| 1114 | P | 78.4 | Confident | 78.3 | Confident | 73 Ų | 73 | 75.2 Ų | 75.2 | 47% | 0.474 | 40% | 0.399 | S | S | . | . | G | 310 helix | trans | -63.5 | 129.9 | 179.1 | 26.9 | -33.5 | 0 | 0 | 0 | 110.3 | P1096 C1116 T1117 | P1096-P1114 HydrophobicContact CG-CB 4.33Å; P1114-C1116 PolarHBondContact O-N 2.78Å; P1114-T1117 PolarHBondContact O-N 2.03Å; P1114-T1117 PolarHBondContact O-OG1 3.29Å |
| 1115 | S | 73.2 | Confident | 77.4 | Confident | 61 Ų | 61 | 75.4 Ų | 75.4 | 43% | 0.427 | 42% | 0.418 | S | S | . | . | G | 310 helix | trans | 50 | 26.2 | -170 | -54.1 | 0 | 0 | 0 | 0 | 113.9 | W1098 G1113 T1117 | W1098-S1115 WeakPolarHBondContact O-CA 3.25Å; G1113-S1115 PolarHBondContact O-N 2.92Å; S1115-T1117 VanDerWaalsContact C-N 3.25Å; S1115-T1117 PolarHBondContact O-N 3.14Å |
| 1116 | C | 79.9 | Confident | 77.2 | Confident | 5 Ų | 5 | 70 Ų | 70 | 3% | 0.034 | 40% | 0.397 | C | S | . | . | G | 310 helix | trans | 56.6 | 31.1 | 177.5 | -53.9 | 0 | 0 | 0 | 0 | 115.5 | M1099 C1107 Y1112 G1113 P1114 G1118 | M1099-C1116 HydrophobicContact CB-CB 4.4Å; M1099-C1116 HydrophobicContact CE-CB 3.48Å; M1099-C1116 VanDerWaalsContact CE-CB 3.48Å; C1107-C1116 WeakPolarHBondContact CA-SG 3.36Å; C1107-C1116 HydrophobicContact CB-CB 3.75Å; C1107-C1116 WeakPolarHBondContact CB-SG 3.24Å; C1107-C1116 VanDerWaalsContact SG-CA 3.57Å; C1107-C1116 WeakPolarHBondContact SG-CB 3.02Å; C1107-C1116 CovalentContact SG-SG 2.03Å; C1107-C1116 PolarHBondContact SG-SG 2.89Å; Y1112-C1116 CarbonylContact O-C 3.53Å; Y1112-C1116 WeakPolarHBondContact O-CA 3.41Å; G1113-C1116 PolarHBondContact O-N 2.9Å; P1114-C1116 PolarHBondContact O-N 2.78Å; C1116-G1118 PolarHBondContact O-N 2.91Å |
| 1117 | T | 78.7 | Confident | 76.7 | Confident | 114 Ų | 114 | 65.7 Ų | 65.7 | 70% | 0.699 | 39% | 0.391 | S | S | * | . | trans | -74.5 | -16.2 | -172.5 | 46.3 | 0 | 0 | 0 | 0 | 115.3 | Y1112 P1114 S1115 | Y1112-T1117 PolarHBondContact O-N 2.84Å; P1114-T1117 PolarHBondContact O-N 2.03Å; P1114-T1117 PolarHBondContact O-OG1 3.29Å; S1115-T1117 VanDerWaalsContact C-N 3.25Å; S1115-T1117 PolarHBondContact O-N 3.14Å | ||
| 1118 | G | 79.1 | Confident | 76.7 | Confident | 18 Ų | 18 | 66.1 Ų | 66.1 | 19% | 0.186 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 145.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113 | Y1111 Y1112 C1116 | Y1111-G1118 CarbonylContact C-O 3.24Å; Y1111-G1118 VanDerWaalsContact CA-O 3.28Å; Y1111-G1118 WeakPolarHBondContact CA-O 3.49Å; Y1112-G1118 VanDerWaalsContact CD1-C 3.46Å; Y1112-G1118 WeakPolarHBondContact CD1-O 3.4Å; Y1112-G1118 PolarHBondContact N-O 3.34Å; Y1112-G1118 PolarHBondContact O-N 2.83Å; C1116-G1118 PolarHBondContact O-N 2.91Å |
| 1119 | T | 78.4 | Confident | 76.7 | Confident | 85 Ų | 85 | 65.8 Ų | 65.8 | 52% | 0.521 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 128.4 | 174.6 | 47.4 | 0 | 0 | 0 | 0 | 111.9 | G1110 Y1111 | G1110-T1119 WeakPolarHBondContact O-CA 3.41Å; Y1111-T1119 HydrophobicContact CD1-CG2 3.84Å; Y1111-T1119 HydrophobicContact CE1-CG2 3.59Å |
| 1120 | C | 79.1 | Confident | 76.7 | Confident | 25 Ų | 25 | 59 Ų | 59 | 17% | 0.169 | 36% | 0.356 | C | S | . | . | trans | -75.2 | 142.2 | -178.9 | -54.3 | 0 | 0 | 0 | 0 | 111.6 | G1110 C1128 | G1110-C1120 PolarHBondContact O-N 3.29Å; C1120-C1128 HydrophobicContact CB-CB 3.61Å; C1120-C1128 WeakPolarHBondContact CB-SG 3.01Å; C1120-C1128 WeakPolarHBondContact SG-CB 3.25Å; C1120-C1128 CovalentContact SG-SG 2.03Å; C1120-C1128 PolarHBondContact SG-SG 3.38Å | ||
| 1121 | Q | 75.9 | Confident | 77 | Confident | 124 Ų | 124 | 60.4 Ų | 60.4 | 58% | 0.579 | 36% | 0.358 | S | S | * | . | trans | -111.2 | 31.8 | 178.5 | -61 | -172.6 | 2.1 | 0 | 0 | 112.9 | K1145 | Q1121-K1145 HydrophobicContact CB-CD 4.07Š| ||
| 1122 | C | 80.4 | Confident | 76.9 | Confident | 33 Ų | 33 | 59 Ų | 59 | 22% | 0.223 | 36% | 0.361 | C | S | . | . | trans | -69.8 | 132.5 | -179.9 | -51.7 | 0 | 0 | 0 | 0 | 111.3 | A1126 C1135 | C1122-A1126 HydrophobicContact CB-CB 4.28Å; C1122-C1135 WeakPolarHBondContact CA-SG 3.4Å; C1122-C1135 HydrophobicContact CB-CB 3.84Å; C1122-C1135 WeakPolarHBondContact CB-SG 3.46Å; C1122-C1135 VanDerWaalsContact SG-CA 3.59Å; C1122-C1135 WeakPolarHBondContact SG-CB 3.39Å; C1122-C1135 CovalentContact SG-SG 2.04Å; C1122-C1135 PolarHBondContact SG-SG 2.81Å | ||
| 1123 | K | 72 | Confident | 76.6 | Confident | 131 Ų | 131 | 56 Ų | 56 | 57% | 0.57 | 35% | 0.354 | S | S | * | . | trans | -102.3 | 177.3 | 174.9 | -69.7 | -170.2 | 175.2 | -179.2 | 0 | 111.2 | G1125 A1126 K1145 D1147 | K1123-G1125 PolarHBondContact O-N 2.99Å; K1123-A1126 WeakPolarHBondContact O-CB 3.41Å; K1123-A1126 PolarHBondContact O-N 2.83Å; K1123-K1145 PolarHBondContact N-O 2.96Å; K1123-D1147 HydrophobicContact CB-CB 4.43Å; K1123-D1147 HydrophobicContact CD-CB 4.13Å | ||
| 1124 | A | 64.3 | Low | 76.6 | Confident | 49 Ų | 49 | 61.5 Ų | 61.5 | 41% | 0.405 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.2 | 23.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | A1126 W1141 | A1124-A1126 VanDerWaalsContact C-N 3.29Å; A1124-A1126 PolarHBondContact O-N 3.11Å; A1124-W1141 HydrophobicContact CB-CD2 3.78Å; A1124-W1141 HydrophobicContact CB-CE3 3.91Å; A1124-W1141 HydrophobicContact CB-CG 4.37Å; A1124-W1141 HydrophobicContact CB-CH2 4.11Å; A1124-W1141 HydrophobicContact CB-CZ2 3.97Å; A1124-W1141 HydrophobicContact CB-CZ3 4.08Å |
| 1125 | G | 61.8 | Low | 76.8 | Confident | 68 Ų | 68 | 58.4 Ų | 58.4 | 70% | 0.701 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.8 | 14.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | K1123 | K1123-G1125 PolarHBondContact O-N 2.99Š|
| 1126 | A | 75.8 | Confident | 76.9 | Confident | 13 Ų | 13 | 59.5 Ų | 59.5 | 11% | 0.107 | 36% | 0.358 | C | S | . | . | P | Polyproline II helix | trans | -61.7 | 141.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | C1122 K1123 A1124 C1146 | C1122-A1126 HydrophobicContact CB-CB 4.28Å; K1123-A1126 WeakPolarHBondContact O-CB 3.41Å; K1123-A1126 PolarHBondContact O-N 2.83Å; A1124-A1126 VanDerWaalsContact C-N 3.29Å; A1124-A1126 PolarHBondContact O-N 3.11Å; A1126-C1146 HydrophobicContact CB-CB 3.54Å; A1126-C1146 WeakPolarHBondContact CB-SG 3.43Å |
| 1127 | S | 71.4 | Confident | 76.9 | Confident | 73 Ų | 73 | 60.6 Ų | 60.6 | 51% | 0.51 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 140.2 | -179.3 | -179.6 | 0 | 0 | 0 | 0 | 110.3 | C1135 D1136 | S1127-C1135 CarbonylContact O-C 3.57Å; S1127-C1135 WeakPolarHBondContact O-CA 3.42Å; S1127-D1136 PolarHBondContact N-O 3.11Å; S1127-D1136 PolarHBondContact O-N 3.12Å |
| 1128 | C | 80.9 | Confident | 76.8 | Confident | 25 Ų | 25 | 59.2 Ų | 59.2 | 17% | 0.169 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 132.3 | 173.9 | -169.7 | 0 | 0 | 0 | 0 | 111.1 | C1120 H1130 | C1120-C1128 HydrophobicContact CB-CB 3.61Å; C1120-C1128 WeakPolarHBondContact CB-SG 3.01Å; C1120-C1128 WeakPolarHBondContact SG-CB 3.25Å; C1120-C1128 CovalentContact SG-SG 2.03Å; C1120-C1128 PolarHBondContact SG-SG 3.38Å; C1128-H1130 PolarHBondContact O-N 2.98Å; C1128-H1130 VanDerWaalsContact O-N 3.08Å |
| 1129 | N | 77.5 | Confident | 76.7 | Confident | 48 Ų | 48 | 60.8 Ų | 60.8 | 26% | 0.257 | 36% | 0.359 | S | S | . | . | trans | -72.3 | 100.1 | 170.3 | -173.8 | -34.3 | 0 | 0 | 0 | 110 | V1131 T1132 G1133 K1134 | N1129-V1131 PolarHBondContact O-N 3.42Å; N1129-V1131 WeakPolarHBondContact OD1-CB 3.49Å; N1129-V1131 PolarHBondContact OD1-N 3.21Å; N1129-T1132 PolarHBondContact O-N 2.79Å; N1129-G1133 PolarHBondContact O-N 2.03Å; N1129-K1134 HydrophobicContact CB-CB 4.44Å; N1129-K1134 WeakPolarHBondContact CB-O 3.49Å; N1129-K1134 PolarHBondContact N-O 3.34Å | ||
| 1130 | H | 77.9 | Confident | 76.6 | Confident | 64 Ų | 64 | 56.7 Ų | 56.7 | 30% | 0.296 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -43.5 | -28.7 | 175.4 | 61.5 | -56.7 | 0 | 0 | 0 | 116.1 | G1097 C1107 Y1112 G1113 C1128 | G1097-H1130 VanDerWaalsContact CA-O 3.28Å; G1097-H1130 WeakPolarHBondContact CA-O 3.37Å; G1097-H1130 PolarHBondContact N-O 3.48Å; C1107-H1130 HydrophobicContact CB-CB 4.16Å; Y1112-H1130 CarbonylContact C-O 3.55Å; Y1112-H1130 WeakPolarHBondContact CA-O 3.1Å; Y1112-H1130 WeakPolarHBondContact CB-O 3.48Å; G1113-H1130 PolarHBondContact N-O 2.77Å; C1128-H1130 PolarHBondContact O-N 2.98Å; C1128-H1130 VanDerWaalsContact O-N 3.08Å |
| 1131 | V | 82.4 | Confident | 76.8 | Confident | 63 Ų | 63 | 58.8 Ų | 58.8 | 38% | 0.382 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -41.7 | 179.6 | -174 | 0 | 0 | 0 | 0 | 111.7 | P1096 N1129 | P1096-V1131 HydrophobicContact CB-CG1 4.06Å; N1129-V1131 PolarHBondContact O-N 3.42Å; N1129-V1131 WeakPolarHBondContact OD1-CB 3.49Å; N1129-V1131 PolarHBondContact OD1-N 3.21Å |
| 1132 | T | 83.2 | Confident | 76.8 | Confident | 83 Ų | 83 | 55.4 Ų | 55.4 | 51% | 0.509 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118 | -15.4 | -165.5 | 60.1 | 0 | 0 | 0 | 0 | 115.4 | N1129 K1134 | N1129-T1132 PolarHBondContact O-N 2.79Å; T1132-K1134 PolarHBondContact O-N 3.46Å; T1132-K1134 PolarHBondContact OG1-N 3.47Å |
| 1133 | G | 78.2 | Confident | 76.6 | Confident | 15 Ų | 15 | 55 Ų | 55 | 16% | 0.155 | 33% | 0.326 | C | S | . | . | trans | 79.1 | -1.4 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | N1129 | N1129-G1133 PolarHBondContact O-N 2.03Š| ||
| 1134 | K | 80 | Confident | 76.8 | Confident | 121 Ų | 121 | 55.9 Ų | 55.9 | 53% | 0.526 | 33% | 0.332 | S | S | . | . | trans | -67.3 | 136.8 | 178.6 | -173.7 | 175.8 | -178.7 | -179.8 | 0 | 110.9 | N1129 T1132 | N1129-K1134 HydrophobicContact CB-CB 4.44Å; N1129-K1134 WeakPolarHBondContact CB-O 3.49Å; N1129-K1134 PolarHBondContact N-O 3.34Å; T1132-K1134 PolarHBondContact O-N 3.46Å; T1132-K1134 PolarHBondContact OG1-N 3.47Å | ||
| 1135 | C | 83 | Confident | 77.3 | Confident | 9 Ų | 9 | 57.8 Ų | 57.8 | 6% | 0.061 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 123.8 | 175.1 | -54.9 | 0 | 0 | 0 | 0 | 111.1 | C1122 S1127 E1144 C1146 | C1122-C1135 WeakPolarHBondContact CA-SG 3.4Å; C1122-C1135 HydrophobicContact CB-CB 3.84Å; C1122-C1135 WeakPolarHBondContact CB-SG 3.46Å; C1122-C1135 VanDerWaalsContact SG-CA 3.59Å; C1122-C1135 WeakPolarHBondContact SG-CB 3.39Å; C1122-C1135 CovalentContact SG-SG 2.04Å; C1122-C1135 PolarHBondContact SG-SG 2.81Å; S1127-C1135 CarbonylContact O-C 3.57Å; S1127-C1135 WeakPolarHBondContact O-CA 3.42Å; C1135-E1144 PolarHBondContact SG-O 3.45Å; C1135-C1146 VanDerWaalsContact CB-SG 3.53Å |
| 1136 | D | 75.1 | Confident | 78.2 | Confident | 84 Ų | 84 | 54.5 Ų | 54.5 | 45% | 0.449 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 103.8 | 170.8 | -65 | -43.7 | 0 | 0 | 0 | 108.5 | S1127 | S1127-D1136 PolarHBondContact N-O 3.11Å; S1127-D1136 PolarHBondContact O-N 3.12Å |
| 1137 | C | 79.6 | Confident | 78.2 | Confident | 27 Ų | 27 | 57.9 Ų | 57.9 | 18% | 0.182 | 31% | 0.314 | C | S | . | . | P | Polyproline II helix | trans | -72.1 | 135.2 | -172.5 | -55 | 0 | 0 | 0 | 0 | 112.7 | W1141 C1146 | C1137-W1141 HydrophobicContact CB-CB 4.23Å; C1137-W1141 WeakPolarHBondContact CB-O 3.01Å; C1137-C1146 WeakPolarHBondContact CA-SG 3.36Å; C1137-C1146 HydrophobicContact CB-CB 3.77Å; C1137-C1146 WeakPolarHBondContact CB-SG 3.36Å; C1137-C1146 PolarHBondContact N-SG 2.79Å; C1137-C1146 VanDerWaalsContact SG-CA 3.51Å; C1137-C1146 WeakPolarHBondContact SG-CB 3.2Å; C1137-C1146 CovalentContact SG-SG 2.04Å; C1137-C1146 PolarHBondContact SG-SG 2.88Å |
| 1138 | L | 76.2 | Confident | 78.7 | Confident | 86 Ų | 86 | 61.8 Ų | 61.8 | 45% | 0.45 | 32% | 0.317 | S | S | . | . | P | Polyproline II helix | trans | -62.6 | 150.4 | 168.8 | -64.9 | 172.7 | 0 | 0 | 0 | 110.2 | G1140 W1141 | L1138-G1140 PolarHBondContact O-N 3.12Å; L1138-W1141 PolarHBondContact O-N 3.36Å; L1138-W1141 VanDerWaalsContact O-N 3.12Å |
| 1139 | P | 78.7 | Confident | 78.6 | Confident | 50 Ų | 50 | 67.8 Ų | 67.8 | 33% | 0.325 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47.7 | 135.6 | 175.5 | -29.9 | 36.5 | 0 | 0 | 0 | 112.3 | G1156 L1157 I1174 | P1139-G1156 WeakPolarHBondContact CA-O 3.47Å; P1139-L1157 HydrophobicContact CG-CD1 4.31Å; P1139-I1174 HydrophobicContact CB-CG2 4.42Å |
| 1140 | G | 75.4 | Confident | 78.9 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 91.8 | -4.6 | -174.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | L1138 C1150 G1156 H1173 | L1138-G1140 PolarHBondContact O-N 3.12Å; G1140-C1150 VanDerWaalsContact C-SG 3.56Å; G1140-C1150 WeakPolarHBondContact CA-SG 3.21Å; G1140-C1150 PolarHBondContact O-N 3.16Å; G1140-G1156 PolarHBondContact N-O 3.15Å; G1140-H1173 WeakPolarHBondContact CA-O 3.31Å; G1140-H1173 PolarHBondContact O-ND1 2.93Å |
| 1141 | W | 82.6 | Confident | 78.9 | Confident | 69 Ų | 69 | 66 Ų | 66 | 26% | 0.261 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 152.3 | -177 | -59.7 | 88.2 | 0 | 0 | 0 | 113.4 | A1124 C1137 L1138 C1146 R1148 H1173 | A1124-W1141 HydrophobicContact CB-CD2 3.78Å; A1124-W1141 HydrophobicContact CB-CE3 3.91Å; A1124-W1141 HydrophobicContact CB-CG 4.37Å; A1124-W1141 HydrophobicContact CB-CH2 4.11Å; A1124-W1141 HydrophobicContact CB-CZ2 3.97Å; A1124-W1141 HydrophobicContact CB-CZ3 4.08Å; C1137-W1141 HydrophobicContact CB-CB 4.23Å; C1137-W1141 WeakPolarHBondContact CB-O 3.01Å; L1138-W1141 PolarHBondContact O-N 3.36Å; L1138-W1141 VanDerWaalsContact O-N 3.12Å; W1141-C1146 HydrophobicContact CB-CB 4.42Å; W1141-R1148 CarbonylContact C-O 3.44Å; W1141-R1148 WeakPolarHBondContact CA-O 3.05Å; W1141-H1173 AromaticContact CE2-CE1 3.83Å; W1141-H1173 AromaticContact CZ2-CE1 3.91Å; W1141-H1173 AromaticContact NE1-CE1 3.87Å |
| 1142 | L | 76.4 | Confident | 78.5 | Confident | 52 Ų | 52 | 71.4 Ų | 71.4 | 27% | 0.272 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 164.4 | -171.8 | -88.6 | 172.4 | 0 | 0 | 0 | 112 | C1146 D1147 R1148 C1159 | L1142-C1146 CarbonylContact O-C 3.55Å; L1142-C1146 WeakPolarHBondContact O-CA 3.37Å; L1142-D1147 PolarHBondContact O-N 3.14Å; L1142-R1148 HydrophobicContact CB-CB 4.31Å; L1142-R1148 PolarHBondContact N-O 3.38Å; L1142-R1148 WeakPolarHBondContact O-CB 3.05Å; L1142-R1148 PolarHBondContact O-N 3.5Å; L1142-C1159 HydrophobicContact CD1-CB 4.22Å; L1142-C1159 WeakPolarHBondContact CD1-SG 3.03Å |
| 1143 | G | 75.8 | Confident | 78.2 | Confident | 24 Ų | 24 | 68.5 Ų | 68.5 | 25% | 0.247 | 35% | 0.35 | C | S | . | . | S | Bend | trans | 93.5 | 158.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | K1145 C1146 | G1143-K1145 PolarHBondContact O-N 3.34Å; G1143-C1146 PolarHBondContact O-N 3.17Å |
| 1144 | E | 76.3 | Confident | 78.4 | Confident | 151 Ų | 151 | 72.9 Ų | 72.9 | 71% | 0.706 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -22.5 | -174.6 | -66.2 | -60.2 | 117.6 | 0 | 0 | 114.5 | C1135 | C1135-E1144 PolarHBondContact SG-O 3.45Š|
| 1145 | K | 75.6 | Confident | 78.5 | Confident | 88 Ų | 88 | 70.1 Ų | 70.1 | 38% | 0.383 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.8 | 9.6 | 176.8 | -61 | -175.7 | -173.6 | -178.2 | 0 | 113.3 | Q1121 K1123 G1143 D1147 | Q1121-K1145 HydrophobicContact CB-CD 4.07Å; K1123-K1145 PolarHBondContact N-O 2.96Å; G1143-K1145 PolarHBondContact O-N 3.34Å; K1145-D1147 VanDerWaalsContact C-N 3.27Å; K1145-D1147 PolarHBondContact O-N 3.16Å |
| 1146 | C | 80.7 | Confident | 78.2 | Confident | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 35% | 0.351 | C | S | . | . | S | Bend | trans | 54.5 | 39.4 | -177.5 | -50.9 | 0 | 0 | 0 | 0 | 113.8 | A1126 C1135 C1137 W1141 L1142 G1143 | A1126-C1146 HydrophobicContact CB-CB 3.54Å; A1126-C1146 WeakPolarHBondContact CB-SG 3.43Å; C1135-C1146 VanDerWaalsContact CB-SG 3.53Å; C1137-C1146 WeakPolarHBondContact CA-SG 3.36Å; C1137-C1146 HydrophobicContact CB-CB 3.77Å; C1137-C1146 WeakPolarHBondContact CB-SG 3.36Å; C1137-C1146 PolarHBondContact N-SG 2.79Å; C1137-C1146 VanDerWaalsContact SG-CA 3.51Å; C1137-C1146 WeakPolarHBondContact SG-CB 3.2Å; C1137-C1146 CovalentContact SG-SG 2.04Å; C1137-C1146 PolarHBondContact SG-SG 2.88Å; W1141-C1146 HydrophobicContact CB-CB 4.42Å; L1142-C1146 CarbonylContact O-C 3.55Å; L1142-C1146 WeakPolarHBondContact O-CA 3.37Å; G1143-C1146 PolarHBondContact O-N 3.17Å |
| 1147 | D | 76.3 | Confident | 78.2 | Confident | 84 Ų | 84 | 71.1 Ų | 71.1 | 45% | 0.449 | 36% | 0.356 | S | S | . | . | trans | -101 | -8.8 | -173.3 | 61.2 | -21 | 0 | 0 | 0 | 114.1 | K1123 L1142 K1145 | K1123-D1147 HydrophobicContact CB-CB 4.43Å; K1123-D1147 HydrophobicContact CD-CB 4.13Å; L1142-D1147 PolarHBondContact O-N 3.14Å; K1145-D1147 VanDerWaalsContact C-N 3.27Å; K1145-D1147 PolarHBondContact O-N 3.16Å | ||
| 1148 | R | 81.5 | Confident | 77.8 | Confident | 155 Ų | 155 | 75.6 Ų | 75.6 | 59% | 0.585 | 38% | 0.378 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103 | 131.5 | 176.2 | -65.3 | 166.4 | 55.1 | -140 | -5.3 | 110.8 | W1141 L1142 | W1141-R1148 CarbonylContact C-O 3.44Å; W1141-R1148 WeakPolarHBondContact CA-O 3.05Å; L1142-R1148 HydrophobicContact CB-CB 4.31Å; L1142-R1148 PolarHBondContact N-O 3.38Å; L1142-R1148 WeakPolarHBondContact O-CB 3.05Å; L1142-R1148 PolarHBondContact O-N 3.5Å |
| 1149 | K | 79.1 | Confident | 77.9 | Confident | 151 Ų | 151 | 72 Ų | 72 | 66% | 0.657 | 36% | 0.36 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 158.7 | 165.7 | 60.8 | -176.8 | 179 | -179.6 | 0 | 111.4 | ||
| 1150 | C | 82.4 | Confident | 77.8 | Confident | 11 Ų | 11 | 73.2 Ų | 73.2 | 7% | 0.074 | 37% | 0.369 | C | S | . | . | P | Polyproline II helix | trans | -53.3 | 153 | 170.3 | -64.5 | 0 | 0 | 0 | 0 | 112.6 | G1140 Y1154 C1159 H1173 | G1140-C1150 VanDerWaalsContact C-SG 3.56Å; G1140-C1150 WeakPolarHBondContact CA-SG 3.21Å; G1140-C1150 PolarHBondContact O-N 3.16Å; C1150-Y1154 VanDerWaalsContact CB-O 3.24Å; C1150-Y1154 WeakPolarHBondContact CB-O 3.04Å; C1150-C1159 WeakPolarHBondContact CA-SG 3.41Å; C1150-C1159 HydrophobicContact CB-CB 3.83Å; C1150-C1159 WeakPolarHBondContact CB-SG 3.04Å; C1150-C1159 WeakPolarHBondContact SG-CB 3.35Å; C1150-C1159 CovalentContact SG-SG 2.03Å; C1150-C1159 PolarHBondContact SG-SG 3.41Å; C1150-H1173 HydrophobicContact CB-CB 4Å |
| 1151 | A | 77.9 | Confident | 77.8 | Confident | 64 Ų | 64 | 77.5 Ų | 77.5 | 53% | 0.529 | 39% | 0.39 | S | S | . | . | P | Polyproline II helix | trans | -63.1 | 149.7 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | G1153 Y1154 | A1151-G1153 PolarHBondContact O-N 3.04Å; A1151-Y1154 HydrophobicContact CB-CD2 4.06Å; A1151-Y1154 PolarHBondContact O-N 3.33Å |
| 1152 | Q | 74.7 | Confident | 77.6 | Confident | 176 Ų | 176 | 78.5 Ų | 78.5 | 82% | 0.822 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | 121.5 | -174.3 | -164.3 | 162.9 | -7.3 | 0 | 0 | 110.4 | ||
| 1153 | G | 75.8 | Confident | 77.6 | Confident | 21 Ų | 21 | 77 Ų | 77 | 22% | 0.216 | 40% | 0.397 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 105.2 | -8.8 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | A1151 C1163 | A1151-G1153 PolarHBondContact O-N 3.04Å; G1153-C1163 WeakPolarHBondContact O-CB 3.5Å; G1153-C1163 PolarHBondContact O-N 3.48Å |
| 1154 | Y | 83.4 | Confident | 77.7 | Confident | 108 Ų | 108 | 81.8 Ų | 81.8 | 42% | 0.424 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 146.8 | -179.5 | -63.4 | -96.7 | 0 | 0 | 0 | 112.3 | C1150 A1151 E1161 V1162 | C1150-Y1154 VanDerWaalsContact CB-O 3.24Å; C1150-Y1154 WeakPolarHBondContact CB-O 3.04Å; A1151-Y1154 HydrophobicContact CB-CD2 4.06Å; A1151-Y1154 PolarHBondContact O-N 3.33Å; Y1154-E1161 CarbonylContact C-O 3.53Å; Y1154-E1161 VanDerWaalsContact CA-O 3.29Å; Y1154-E1161 WeakPolarHBondContact CA-O 3.06Å; Y1154-V1162 HydrophobicContact CD1-CG2 4.01Å; Y1154-V1162 HydrophobicContact CE1-CG2 3.77Å |
| 1155 | Y | 83 | Confident | 77.9 | Confident | 63 Ų | 63 | 76.3 Ų | 76.3 | 25% | 0.247 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 175.3 | 179.6 | 76 | -87.6 | 0 | 0 | 0 | 113.7 | C1159 S1160 E1161 C1163 H1173 | Y1155-C1159 CarbonylContact O-C 3.59Å; Y1155-C1159 VanDerWaalsContact O-C 3.3Å; Y1155-C1159 VanDerWaalsContact O-CA 3.29Å; Y1155-C1159 WeakPolarHBondContact O-CA 3.49Å; Y1155-S1160 PolarHBondContact O-N 3.17Å; Y1155-E1161 HydrophobicContact CD1-CB 3.64Å; Y1155-E1161 WeakPolarHBondContact CD1-O 3.41Å; Y1155-E1161 HydrophobicContact CD2-CB 3.84Å; Y1155-E1161 HydrophobicContact CD2-CG 4.3Å; Y1155-E1161 HydrophobicContact CE1-CB 3.39Å; Y1155-E1161 HydrophobicContact CE2-CB 3.59Å; Y1155-E1161 HydrophobicContact CE2-CG 3.92Å; Y1155-E1161 HydrophobicContact CG-CB 3.87Å; Y1155-E1161 PolarHBondContact N-O 2.04Å; Y1155-E1161 WeakPolarHBondContact O-CB 3.04Å; Y1155-E1161 PolarHBondContact O-N 2.9Å; Y1155-C1163 VanDerWaalsContact CD1-SG 3.57Å; Y1155-H1173 WeakPolarHBondContact CA-O 3.39Å; Y1155-H1173 VanDerWaalsContact CB-O 3.26Å; Y1155-H1173 WeakPolarHBondContact CB-O 3.37Å |
| 1156 | G | 74.7 | Confident | 77.8 | Confident | 9 Ų | 9 | 75.7 Ų | 75.7 | 9% | 0.093 | 39% | 0.389 | C | S | . | . | S | Bend | trans | 88.5 | -165.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | P1139 G1140 C1159 H1173 | P1139-G1156 WeakPolarHBondContact CA-O 3.47Å; G1140-G1156 PolarHBondContact N-O 3.15Å; G1156-C1159 PolarHBondContact O-N 3.41Å; G1156-H1173 PolarHBondContact N-O 3.42Å |
| 1157 | L | 75.5 | Confident | 77.2 | Confident | 104 Ų | 104 | 79.5 Ų | 79.5 | 55% | 0.545 | 41% | 0.406 | S | S | . | . | G | 310 helix | trans | -69.1 | 131.7 | 178.6 | -169.2 | 68.4 | 0 | 0 | 0 | 109.4 | P1139 C1159 S1160 | P1139-L1157 HydrophobicContact CG-CD1 4.31Å; L1157-C1159 PolarHBondContact O-N 3.32Å; L1157-S1160 PolarHBondContact O-N 2.04Å; L1157-S1160 PolarHBondContact O-OG 3.47Å |
| 1158 | N | 71.1 | Confident | 76.7 | Confident | 121 Ų | 121 | 80.7 Ų | 80.7 | 65% | 0.647 | 42% | 0.421 | S | S | * | . | G | 310 helix | trans | 54.1 | 14 | -171.6 | -58.6 | -29.5 | 0 | 0 | 0 | 115.3 | S1160 | N1158-S1160 VanDerWaalsContact C-N 3.32Å; N1158-S1160 PolarHBondContact O-N 3.44Å |
| 1159 | C | 77.9 | Confident | 76.3 | Confident | 11 Ų | 11 | 73.8 Ų | 73.8 | 7% | 0.074 | 40% | 0.398 | C | S | . | . | G | 310 helix | trans | 58.8 | 34.4 | -174.7 | -48.6 | 0 | 0 | 0 | 0 | 114.4 | L1142 C1150 Y1155 G1156 L1157 | L1142-C1159 HydrophobicContact CD1-CB 4.22Å; L1142-C1159 WeakPolarHBondContact CD1-SG 3.03Å; C1150-C1159 WeakPolarHBondContact CA-SG 3.41Å; C1150-C1159 HydrophobicContact CB-CB 3.83Å; C1150-C1159 WeakPolarHBondContact CB-SG 3.04Å; C1150-C1159 WeakPolarHBondContact SG-CB 3.35Å; C1150-C1159 CovalentContact SG-SG 2.03Å; C1150-C1159 PolarHBondContact SG-SG 3.41Å; Y1155-C1159 CarbonylContact O-C 3.59Å; Y1155-C1159 VanDerWaalsContact O-C 3.3Å; Y1155-C1159 VanDerWaalsContact O-CA 3.29Å; Y1155-C1159 WeakPolarHBondContact O-CA 3.49Å; G1156-C1159 PolarHBondContact O-N 3.41Å; L1157-C1159 PolarHBondContact O-N 3.32Å |
| 1160 | S | 76.7 | Confident | 75.9 | Confident | 75 Ų | 75 | 68.9 Ų | 68.9 | 52% | 0.524 | 38% | 0.383 | S | S | . | . | trans | -70 | -29.1 | -178.5 | 56.5 | 0 | 0 | 0 | 0 | 114.7 | Y1155 L1157 N1158 | Y1155-S1160 PolarHBondContact O-N 3.17Å; L1157-S1160 PolarHBondContact O-N 2.04Å; L1157-S1160 PolarHBondContact O-OG 3.47Å; N1158-S1160 VanDerWaalsContact C-N 3.32Å; N1158-S1160 PolarHBondContact O-N 3.44Å | ||
| 1161 | E | 76.9 | Confident | 75.9 | Confident | 91 Ų | 91 | 69.4 Ų | 69.4 | 43% | 0.425 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 136.9 | -169.6 | -53 | -51.1 | 117.1 | 0 | 0 | 111.5 | Y1154 Y1155 | Y1154-E1161 CarbonylContact C-O 3.53Å; Y1154-E1161 VanDerWaalsContact CA-O 3.29Å; Y1154-E1161 WeakPolarHBondContact CA-O 3.06Å; Y1155-E1161 HydrophobicContact CD1-CB 3.64Å; Y1155-E1161 WeakPolarHBondContact CD1-O 3.41Å; Y1155-E1161 HydrophobicContact CD2-CB 3.84Å; Y1155-E1161 HydrophobicContact CD2-CG 4.3Å; Y1155-E1161 HydrophobicContact CE1-CB 3.39Å; Y1155-E1161 HydrophobicContact CE2-CB 3.59Å; Y1155-E1161 HydrophobicContact CE2-CG 3.92Å; Y1155-E1161 HydrophobicContact CG-CB 3.87Å; Y1155-E1161 PolarHBondContact N-O 2.04Å; Y1155-E1161 WeakPolarHBondContact O-CB 3.04Å; Y1155-E1161 PolarHBondContact O-N 2.9Å |
| 1162 | V | 77.5 | Confident | 75.9 | Confident | 90 Ų | 90 | 69.3 Ų | 69.3 | 55% | 0.545 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 122.7 | -177.5 | -175.5 | 0 | 0 | 0 | 0 | 111 | Y1154 | Y1154-V1162 HydrophobicContact CD1-CG2 4.01Å; Y1154-V1162 HydrophobicContact CE1-CG2 3.77Å |
| 1163 | C | 77.2 | Confident | 76 | Confident | 20 Ų | 20 | 63.1 Ų | 63.1 | 14% | 0.135 | 35% | 0.345 | C | S | . | . | trans | -72.8 | 127.2 | 175.5 | -90.7 | 0 | 0 | 0 | 0 | 112.3 | G1153 Y1155 C1165 C1171 G1176 | G1153-C1163 WeakPolarHBondContact O-CB 3.5Å; G1153-C1163 PolarHBondContact O-N 3.48Å; Y1155-C1163 VanDerWaalsContact CD1-SG 3.57Å; C1163-C1165 PolarHBondContact O-N 3.17Å; C1163-C1171 HydrophobicContact CB-CB 3.46Å; C1163-C1171 VanDerWaalsContact CB-CB 3.46Å; C1163-C1171 WeakPolarHBondContact CB-SG 3.4Å; C1163-C1171 WeakPolarHBondContact SG-CB 3.42Å; C1163-C1171 CovalentContact SG-SG 2.03Å; C1163-C1171 PolarHBondContact SG-SG 2.94Å; C1163-G1176 PolarHBondContact SG-O 3.03Å; C1163-G1176 VanDerWaalsContact SG-O 3.38Å | ||
| 1164 | Q | 78 | Confident | 76.2 | Confident | 124 Ų | 124 | 65.4 Ų | 65.4 | 58% | 0.579 | 35% | 0.352 | S | S | * | . | trans | -96.7 | 70.3 | 170.7 | -65.6 | 177.5 | -10.2 | 0 | 0 | 110.3 | R1188 | Q1164-R1188 WeakPolarHBondContact O-CB 3.1Å; Q1164-R1188 WeakPolarHBondContact O-CD 3.49Å; Q1164-R1188 WeakPolarHBondContact O-CG 3.47Å; Q1164-R1188 VanDerWaalsContact OE1-CZ 3.32Å | ||
| 1165 | C | 79.4 | Confident | 76 | Confident | 36 Ų | 36 | 64.2 Ų | 64.2 | 24% | 0.243 | 36% | 0.356 | C | S | . | . | trans | -99.2 | 129.3 | -179.6 | -54.4 | 0 | 0 | 0 | 0 | 111.5 | C1163 A1169 C1178 | C1163-C1165 PolarHBondContact O-N 3.17Å; C1165-A1169 HydrophobicContact CB-CB 4.13Å; C1165-A1169 WeakPolarHBondContact CB-O 3.31Å; C1165-C1178 WeakPolarHBondContact CA-SG 3.34Å; C1165-C1178 HydrophobicContact CB-CB 3.83Å; C1165-C1178 WeakPolarHBondContact CB-SG 3.36Å; C1165-C1178 VanDerWaalsContact SG-CA 3.52Å; C1165-C1178 WeakPolarHBondContact SG-CB 3.27Å; C1165-C1178 CovalentContact SG-SG 2.04Å; C1165-C1178 PolarHBondContact SG-SG 3.16Å | ||
| 1166 | E | 73.5 | Confident | 75.7 | Confident | 76 Ų | 76 | 62 Ų | 62 | 36% | 0.355 | 35% | 0.352 | S | S | . | . | trans | -99.6 | 174.4 | 177.8 | -65.1 | 163.8 | -145.2 | 0 | 0 | 111 | S1168 A1169 R1188 H1190 | E1166-S1168 VanDerWaalsContact C-N 3.25Å; E1166-S1168 PolarHBondContact O-N 2.85Å; E1166-S1168 VanDerWaalsContact O-N 3.1Å; E1166-A1169 VanDerWaalsContact O-CB 3.27Å; E1166-A1169 WeakPolarHBondContact O-CB 2.93Å; E1166-A1169 PolarHBondContact O-N 2.87Å; E1166-R1188 WeakPolarHBondContact CB-O 3.32Å; E1166-R1188 PolarHBondContact N-O 3.46Å; E1166-R1188 WeakPolarHBondContact OE1-CD 3.35Å; E1166-H1190 WeakPolarHBondContact OE2-CB 3.38Å | ||
| 1167 | H | 68.3 | Low | 75.9 | Confident | 79 Ų | 79 | 66.4 Ų | 66.4 | 37% | 0.366 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.9 | 38 | 175.9 | -52 | 101.6 | 0 | 0 | 0 | 115.3 | A1169 T1181 W1184 C1189 | H1167-A1169 PolarHBondContact O-N 2.04Å; H1167-T1181 PolarHBondContact O-OG1 2.02Å; H1167-W1184 HydrophobicContact CB-CD2 3.97Å; H1167-W1184 HydrophobicContact CB-CG 4.12Å; H1167-W1184 HydrophobicContact CB-CZ2 4.48Å; H1167-W1184 AromaticContact CD2-CH2 3.67Å; H1167-W1184 AromaticContact CD2-CZ2 3.69Å; H1167-W1184 AromaticContact CE1-CE3 3.9Å; H1167-W1184 AromaticContact CE1-CH2 3.89Å; H1167-W1184 AromaticContact CE1-CZ3 3.53Å; H1167-W1184 AromaticContact CG-CD2 3.77Å; H1167-W1184 AromaticContact CG-CE2 3.79Å; H1167-W1184 AromaticContact CG-CE3 3.86Å; H1167-W1184 AromaticContact CG-CZ2 3.92Å; H1167-W1184 AromaticContact CG-CZ3 3.98Å; H1167-W1184 AromaticContact ND1-CD2 3.9Å; H1167-W1184 AromaticContact ND1-CE3 3.54Å; H1167-W1184 AromaticContact ND1-CZ3 3.66Å; H1167-W1184 AromaticContact NE2-CH2 3.61Å; H1167-W1184 AromaticContact NE2-CZ3 3.76Å; H1167-C1189 PolarHBondContact ND1-O 2.04Å |
| 1168 | S | 65.8 | Low | 76.1 | Confident | 109 Ų | 109 | 61.7 Ų | 61.7 | 76% | 0.762 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.3 | 18.8 | -177.4 | 63.3 | 0 | 0 | 0 | 0 | 116 | E1166 | E1166-S1168 VanDerWaalsContact C-N 3.25Å; E1166-S1168 PolarHBondContact O-N 2.85Å; E1166-S1168 VanDerWaalsContact O-N 3.1Å |
| 1169 | A | 72.7 | Confident | 76.5 | Confident | 11 Ų | 11 | 59 Ų | 59 | 9% | 0.091 | 33% | 0.331 | C | S | . | . | P | Polyproline II helix | trans | -61.1 | 139.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | C1165 E1166 H1167 C1178 I1179 C1189 | C1165-A1169 HydrophobicContact CB-CB 4.13Å; C1165-A1169 WeakPolarHBondContact CB-O 3.31Å; E1166-A1169 VanDerWaalsContact O-CB 3.27Å; E1166-A1169 WeakPolarHBondContact O-CB 2.93Å; E1166-A1169 PolarHBondContact O-N 2.87Å; H1167-A1169 PolarHBondContact O-N 2.04Å; A1169-C1178 HydrophobicContact CB-CB 4.39Å; A1169-I1179 CarbonylContact C-O 3.36Å; A1169-I1179 VanDerWaalsContact CA-O 3.26Å; A1169-I1179 WeakPolarHBondContact CA-O 3.23Å; A1169-I1179 VanDerWaalsContact CB-O 3.29Å; A1169-I1179 WeakPolarHBondContact CB-O 3.01Å; A1169-C1189 HydrophobicContact CB-CB 3.65Å; A1169-C1189 WeakPolarHBondContact CB-SG 3.24Å |
| 1170 | S | 72.2 | Confident | 76.7 | Confident | 48 Ų | 48 | 58.7 Ų | 58.7 | 34% | 0.336 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 133.5 | -172.3 | 73 | 0 | 0 | 0 | 0 | 113 | H1172 I1179 | S1170-H1172 PolarHBondContact O-N 2.98Å; S1170-I1179 PolarHBondContact N-O 3.46Å; S1170-I1179 WeakPolarHBondContact O-CB 3.49Å; S1170-I1179 PolarHBondContact O-N 3.49Å |
| 1171 | C | 81.6 | Confident | 76.8 | Confident | 21 Ų | 21 | 57.2 Ų | 57.2 | 14% | 0.142 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 121.3 | 179.2 | -177.9 | 0 | 0 | 0 | 0 | 111.5 | C1163 H1173 | C1163-C1171 HydrophobicContact CB-CB 3.46Å; C1163-C1171 VanDerWaalsContact CB-CB 3.46Å; C1163-C1171 WeakPolarHBondContact CB-SG 3.4Å; C1163-C1171 WeakPolarHBondContact SG-CB 3.42Å; C1163-C1171 CovalentContact SG-SG 2.03Å; C1163-C1171 PolarHBondContact SG-SG 2.94Å; C1171-H1173 PolarHBondContact O-N 3.06Å |
| 1172 | H | 78.4 | Confident | 76.9 | Confident | 62 Ų | 62 | 55.1 Ų | 55.1 | 29% | 0.287 | 31% | 0.312 | S | S | . | . | trans | -73.7 | 107.2 | 173.6 | -175.2 | -104.8 | 0 | 0 | 0 | 111.1 | S1170 I1174 T1175 G1176 H1177 I1179 | S1170-H1172 PolarHBondContact O-N 2.98Å; H1172-I1174 PolarHBondContact O-N 3.26Å; H1172-T1175 PolarHBondContact ND1-OG1 2.95Å; H1172-T1175 PolarHBondContact O-N 2.92Å; H1172-G1176 PolarHBondContact O-N 2.74Å; H1172-H1177 HydrophobicContact CB-CB 4.27Å; H1172-H1177 VanDerWaalsContact CB-O 3.28Å; H1172-H1177 WeakPolarHBondContact CB-O 3.33Å; H1172-H1177 PolarHBondContact N-O 3.04Å; H1172-I1179 HydrophobicContact CB-CD1 4.21Å; H1172-I1179 HydrophobicContact CB-CG1 4.37Å | ||
| 1173 | H | 77.2 | Confident | 77 | Confident | 46 Ų | 46 | 50.9 Ų | 50.9 | 21% | 0.213 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | -28.5 | -168 | 68.1 | 116.6 | 0 | 0 | 0 | 116.3 | G1140 W1141 C1150 Y1155 G1156 C1171 | G1140-H1173 WeakPolarHBondContact CA-O 3.31Å; G1140-H1173 PolarHBondContact O-ND1 2.93Å; W1141-H1173 AromaticContact CE2-CE1 3.83Å; W1141-H1173 AromaticContact CZ2-CE1 3.91Å; W1141-H1173 AromaticContact NE1-CE1 3.87Å; C1150-H1173 HydrophobicContact CB-CB 4Å; Y1155-H1173 WeakPolarHBondContact CA-O 3.39Å; Y1155-H1173 VanDerWaalsContact CB-O 3.26Å; Y1155-H1173 WeakPolarHBondContact CB-O 3.37Å; G1156-H1173 PolarHBondContact N-O 3.42Å; C1171-H1173 PolarHBondContact O-N 3.06Å |
| 1174 | I | 78.8 | Confident | 77.3 | Confident | 70 Ų | 70 | 52.6 Ų | 52.6 | 36% | 0.359 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -37.4 | 179.4 | -53 | -176.2 | 0 | 0 | 0 | 111.9 | P1139 H1172 | P1139-I1174 HydrophobicContact CB-CG2 4.42Å; H1172-I1174 PolarHBondContact O-N 3.26Å |
| 1175 | T | 80 | Confident | 77.4 | Confident | 83 Ų | 83 | 50.3 Ų | 50.3 | 51% | 0.509 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.5 | -9.5 | -163 | 62.4 | 0 | 0 | 0 | 0 | 115.4 | H1172 H1177 | H1172-T1175 PolarHBondContact ND1-OG1 2.95Å; H1172-T1175 PolarHBondContact O-N 2.92Å; T1175-H1177 PolarHBondContact O-N 2.97Å |
| 1176 | G | 76.9 | Confident | 77.3 | Confident | 15 Ų | 15 | 50.4 Ų | 50.4 | 16% | 0.155 | 28% | 0.283 | C | S | . | . | trans | 72.7 | 6.4 | -177 | 0 | 0 | 0 | 0 | 0 | 115 | C1163 H1172 C1178 | C1163-G1176 PolarHBondContact SG-O 3.03Å; C1163-G1176 VanDerWaalsContact SG-O 3.38Å; H1172-G1176 PolarHBondContact O-N 2.74Å; G1176-C1178 PolarHBondContact O-N 3.15Å | ||
| 1177 | H | 77.9 | Confident | 77.3 | Confident | 102 Ų | 102 | 56.4 Ų | 56.4 | 47% | 0.472 | 31% | 0.308 | S | S | . | . | trans | -68.4 | 122 | 176.8 | -172.1 | -72.8 | 0 | 0 | 0 | 110.3 | H1172 T1175 I1179 H1201 | H1172-H1177 HydrophobicContact CB-CB 4.27Å; H1172-H1177 VanDerWaalsContact CB-O 3.28Å; H1172-H1177 WeakPolarHBondContact CB-O 3.33Å; H1172-H1177 PolarHBondContact N-O 3.04Å; T1175-H1177 PolarHBondContact O-N 2.97Å; H1177-I1179 PolarHBondContact O-N 3.15Å; H1177-H1201 AromaticContact CE1-CE1 3.58Å | ||
| 1178 | C | 81.4 | Confident | 77.6 | Confident | 6 Ų | 6 | 58.1 Ų | 58.1 | 4% | 0.041 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 113.5 | 171.8 | -63.1 | 0 | 0 | 0 | 0 | 110.1 | C1165 A1169 G1176 C1180 | C1165-C1178 WeakPolarHBondContact CA-SG 3.34Å; C1165-C1178 HydrophobicContact CB-CB 3.83Å; C1165-C1178 WeakPolarHBondContact CB-SG 3.36Å; C1165-C1178 VanDerWaalsContact SG-CA 3.52Å; C1165-C1178 WeakPolarHBondContact SG-CB 3.27Å; C1165-C1178 CovalentContact SG-SG 2.04Å; C1165-C1178 PolarHBondContact SG-SG 3.16Å; A1169-C1178 HydrophobicContact CB-CB 4.39Å; G1176-C1178 PolarHBondContact O-N 3.15Å; C1178-C1180 PolarHBondContact O-N 2.85Å |
| 1179 | I | 78.1 | Confident | 78.3 | Confident | 64 Ų | 64 | 52.9 Ų | 52.9 | 33% | 0.328 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 104.1 | 173.8 | -59.4 | 173.1 | 0 | 0 | 0 | 107.8 | A1169 S1170 H1172 H1177 H1201 | A1169-I1179 CarbonylContact C-O 3.36Å; A1169-I1179 VanDerWaalsContact CA-O 3.26Å; A1169-I1179 WeakPolarHBondContact CA-O 3.23Å; A1169-I1179 VanDerWaalsContact CB-O 3.29Å; A1169-I1179 WeakPolarHBondContact CB-O 3.01Å; S1170-I1179 PolarHBondContact N-O 3.46Å; S1170-I1179 WeakPolarHBondContact O-CB 3.49Å; S1170-I1179 PolarHBondContact O-N 3.49Å; H1172-I1179 HydrophobicContact CB-CD1 4.21Å; H1172-I1179 HydrophobicContact CB-CG1 4.37Å; H1177-I1179 PolarHBondContact O-N 3.15Å; I1179-H1201 VanDerWaalsContact CA-NE2 3.31Å; I1179-H1201 WeakPolarHBondContact CA-NE2 3.38Å |
| 1180 | C | 81.7 | Confident | 78.5 | Confident | 5 Ų | 5 | 56.7 Ų | 56.7 | 3% | 0.034 | 29% | 0.29 | C | S | . | . | P | Polyproline II helix | trans | -72.9 | 131.7 | -171.7 | -55.4 | 0 | 0 | 0 | 0 | 112.7 | C1178 W1184 C1189 H1201 | C1178-C1180 PolarHBondContact O-N 2.85Å; C1180-W1184 HydrophobicContact CB-CB 4.25Å; C1180-W1184 WeakPolarHBondContact CB-O 3.35Å; C1180-C1189 WeakPolarHBondContact CA-SG 3.02Å; C1180-C1189 HydrophobicContact CB-CB 3.68Å; C1180-C1189 WeakPolarHBondContact CB-SG 3.29Å; C1180-C1189 VanDerWaalsContact SG-CA 3.56Å; C1180-C1189 WeakPolarHBondContact SG-CB 3.38Å; C1180-C1189 CovalentContact SG-SG 2.03Å; C1180-C1189 PolarHBondContact SG-SG 3.26Å; C1180-H1201 PolarHBondContact N-CD2 2.69Å; C1180-H1201 PolarHBondContact N-NE2 2.73Å; C1180-H1201 VanDerWaalsContact N-NE2 3.14Å; C1180-H1201 PolarHBondContact O-N 3.07Å |
| 1181 | T | 80.3 | Confident | 78.8 | Confident | 44 Ų | 44 | 60.9 Ų | 60.9 | 27% | 0.27 | 30% | 0.299 | S | S | . | . | P | Polyproline II helix | trans | -57.3 | 158.9 | 166.8 | 42.6 | 0 | 0 | 0 | 0 | 111.6 | H1167 G1183 W1184 | H1167-T1181 PolarHBondContact O-OG1 2.02Å; T1181-G1183 PolarHBondContact O-N 3.03Å; T1181-W1184 PolarHBondContact O-N 3.43Å |
| 1182 | S | 79.1 | Confident | 78.6 | Confident | 47 Ų | 47 | 63 Ų | 63 | 33% | 0.329 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | 132.8 | -177.8 | -60.1 | 0 | 0 | 0 | 0 | 112.1 | G1199 I1217 | S1182-G1199 WeakPolarHBondContact CA-O 3.15Å; S1182-I1217 WeakPolarHBondContact CB-O 3.5Å |
| 1183 | G | 77.7 | Confident | 78.7 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 94.2 | -8.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | T1181 P1192 C1193 G1199 H1216 | T1181-G1183 PolarHBondContact O-N 3.03Å; G1183-P1192 CarbonylContact O-C 3.58Å; G1183-P1192 VanDerWaalsContact O-CA 3.31Å; G1183-P1192 WeakPolarHBondContact O-CA 3.46Å; G1183-C1193 WeakPolarHBondContact CA-SG 3.46Å; G1183-C1193 PolarHBondContact O-N 2.97Å; G1183-C1193 PolarHBondContact O-SG 3.14Å; G1183-G1199 PolarHBondContact N-O 3.28Å; G1183-H1216 WeakPolarHBondContact CA-O 3.23Å |
| 1184 | W | 83.7 | Confident | 78.8 | Confident | 57 Ų | 57 | 63.5 Ų | 63.5 | 22% | 0.216 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 147.6 | -171.3 | -58.5 | 93.9 | 0 | 0 | 0 | 114.6 | H1167 C1180 T1181 C1189 | H1167-W1184 HydrophobicContact CB-CD2 3.97Å; H1167-W1184 HydrophobicContact CB-CG 4.12Å; H1167-W1184 HydrophobicContact CB-CZ2 4.48Å; H1167-W1184 AromaticContact CD2-CH2 3.67Å; H1167-W1184 AromaticContact CD2-CZ2 3.69Å; H1167-W1184 AromaticContact CE1-CE3 3.9Å; H1167-W1184 AromaticContact CE1-CH2 3.89Å; H1167-W1184 AromaticContact CE1-CZ3 3.53Å; H1167-W1184 AromaticContact CG-CD2 3.77Å; H1167-W1184 AromaticContact CG-CE2 3.79Å; H1167-W1184 AromaticContact CG-CE3 3.86Å; H1167-W1184 AromaticContact CG-CZ2 3.92Å; H1167-W1184 AromaticContact CG-CZ3 3.98Å; H1167-W1184 AromaticContact ND1-CD2 3.9Å; H1167-W1184 AromaticContact ND1-CE3 3.54Å; H1167-W1184 AromaticContact ND1-CZ3 3.66Å; H1167-W1184 AromaticContact NE2-CH2 3.61Å; H1167-W1184 AromaticContact NE2-CZ3 3.76Å; C1180-W1184 HydrophobicContact CB-CB 4.25Å; C1180-W1184 WeakPolarHBondContact CB-O 3.35Å; T1181-W1184 PolarHBondContact O-N 3.43Å; W1184-C1189 HydrophobicContact CB-CB 4.22Å |
| 1185 | R | 81 | Confident | 78.5 | Confident | 75 Ų | 75 | 68.7 Ų | 68.7 | 28% | 0.283 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 173.8 | 179.6 | 62 | 171.8 | -175.8 | 120.9 | 3.5 | 113.3 | C1189 H1190 R1191 P1192 | R1185-C1189 CarbonylContact O-C 3.31Å; R1185-C1189 WeakPolarHBondContact O-CA 3.35Å; R1185-H1190 PolarHBondContact O-N 3Å; R1185-R1191 HydrophobicContact CG-CB 4.17Å; R1185-R1191 WeakPolarHBondContact CG-O 3.45Å; R1185-R1191 PolarHBondContact N-O 3.07Å; R1185-R1191 PolarHBondContact O-N 3.19Å; R1185-R1191 VanDerWaalsContact O-N 3.09Å; R1185-P1192 PolarHBondContact NE-O 2.99Å |
| 1186 | G | 76.1 | Confident | 78.2 | Confident | 39 Ų | 39 | 66 Ų | 66 | 40% | 0.402 | 33% | 0.329 | S | S | . | . | S | Bend | trans | 93.1 | 166.2 | -179 | 0 | 0 | 0 | 0 | 0 | 112.5 | R1188 C1189 | G1186-R1188 PolarHBondContact O-N 3.25Å; G1186-C1189 PolarHBondContact O-N 3.36Å |
| 1187 | K | 74.2 | Confident | 78.5 | Confident | 202 Ų | 202 | 70.4 Ų | 70.4 | 88% | 0.878 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -25.2 | -168.6 | -71.4 | -168.8 | 175.3 | -173.2 | 0 | 115.5 | ||
| 1188 | R | 75.8 | Confident | 78.6 | Confident | 114 Ų | 114 | 68.4 Ų | 68.4 | 43% | 0.43 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112 | 7.2 | 173.9 | -59.2 | -166.5 | -179.9 | 144.3 | -3.2 | 114.3 | Q1164 E1166 G1186 H1190 | Q1164-R1188 WeakPolarHBondContact O-CB 3.1Å; Q1164-R1188 WeakPolarHBondContact O-CD 3.49Å; Q1164-R1188 WeakPolarHBondContact O-CG 3.47Å; Q1164-R1188 VanDerWaalsContact OE1-CZ 3.32Å; E1166-R1188 WeakPolarHBondContact CB-O 3.32Å; E1166-R1188 PolarHBondContact N-O 3.46Å; E1166-R1188 WeakPolarHBondContact OE1-CD 3.35Å; G1186-R1188 PolarHBondContact O-N 3.25Å; R1188-H1190 HydrophobicContact CB-CB 4.43Å |
| 1189 | C | 79.8 | Confident | 78.3 | Confident | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 33% | 0.328 | C | S | . | . | S | Bend | trans | 60.1 | 40.4 | -171.9 | -50.4 | 0 | 0 | 0 | 0 | 113.8 | H1167 A1169 C1180 W1184 R1185 G1186 | H1167-C1189 PolarHBondContact ND1-O 2.04Å; A1169-C1189 HydrophobicContact CB-CB 3.65Å; A1169-C1189 WeakPolarHBondContact CB-SG 3.24Å; C1180-C1189 WeakPolarHBondContact CA-SG 3.02Å; C1180-C1189 HydrophobicContact CB-CB 3.68Å; C1180-C1189 WeakPolarHBondContact CB-SG 3.29Å; C1180-C1189 VanDerWaalsContact SG-CA 3.56Å; C1180-C1189 WeakPolarHBondContact SG-CB 3.38Å; C1180-C1189 CovalentContact SG-SG 2.03Å; C1180-C1189 PolarHBondContact SG-SG 3.26Å; W1184-C1189 HydrophobicContact CB-CB 4.22Å; R1185-C1189 CarbonylContact O-C 3.31Å; R1185-C1189 WeakPolarHBondContact O-CA 3.35Å; G1186-C1189 PolarHBondContact O-N 3.36Å |
| 1190 | H | 76.8 | Confident | 78.3 | Confident | 90 Ų | 90 | 68.7 Ų | 68.7 | 42% | 0.417 | 34% | 0.335 | S | S | . | . | trans | -106.4 | 4.5 | -170.4 | 74.5 | 96.5 | 0 | 0 | 0 | 114.4 | E1166 R1185 R1188 | E1166-H1190 WeakPolarHBondContact OE2-CB 3.38Å; R1185-H1190 PolarHBondContact O-N 3Å; R1188-H1190 HydrophobicContact CB-CB 4.43Å | ||
| 1191 | R | 77.6 | Confident | 78 | Confident | 136 Ų | 136 | 72.2 Ų | 72.2 | 51% | 0.513 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 138.7 | 178.6 | -50.6 | -176.3 | 79.6 | 164.3 | 4.3 | 109.5 | R1185 | R1185-R1191 HydrophobicContact CG-CB 4.17Å; R1185-R1191 WeakPolarHBondContact CG-O 3.45Å; R1185-R1191 PolarHBondContact N-O 3.07Å; R1185-R1191 PolarHBondContact O-N 3.19Å; R1185-R1191 VanDerWaalsContact O-N 3.09Å |
| 1192 | P | 78 | Confident | 77.9 | Confident | 65 Ų | 65 | 70.8 Ų | 70.8 | 42% | 0.422 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 161.6 | 172.3 | 28 | -34.7 | 0 | 0 | 0 | 111.7 | G1183 R1185 | G1183-P1192 CarbonylContact O-C 3.58Å; G1183-P1192 VanDerWaalsContact O-CA 3.31Å; G1183-P1192 WeakPolarHBondContact O-CA 3.46Å; R1185-P1192 PolarHBondContact NE-O 2.99Å |
| 1193 | C | 81.5 | Confident | 77.9 | Confident | 16 Ų | 16 | 72.5 Ų | 72.5 | 11% | 0.108 | 36% | 0.359 | C | S | . | . | P | Polyproline II helix | trans | -55.8 | 158.5 | 172.1 | -61.9 | 0 | 0 | 0 | 0 | 113.3 | G1183 Y1197 C1202 H1216 | G1183-C1193 WeakPolarHBondContact CA-SG 3.46Å; G1183-C1193 PolarHBondContact O-N 2.97Å; G1183-C1193 PolarHBondContact O-SG 3.14Å; C1193-Y1197 WeakPolarHBondContact CB-O 3.27Å; C1193-C1202 WeakPolarHBondContact CA-SG 3.12Å; C1193-C1202 HydrophobicContact CB-CB 3.77Å; C1193-C1202 WeakPolarHBondContact CB-SG 3.37Å; C1193-C1202 VanDerWaalsContact SG-CA 3.56Å; C1193-C1202 WeakPolarHBondContact SG-CB 3.36Å; C1193-C1202 CovalentContact SG-SG 2.03Å; C1193-C1202 PolarHBondContact SG-SG 3.13Å; C1193-H1216 HydrophobicContact CB-CB 4.31Å |
| 1194 | L | 78 | Confident | 77.8 | Confident | 103 Ų | 103 | 77.1 Ų | 77.1 | 54% | 0.539 | 38% | 0.38 | S | S | . | . | P | Polyproline II helix | trans | -77.6 | 153.9 | 170 | -66.8 | 168.9 | 0 | 0 | 0 | 109.2 | G1196 Y1197 | L1194-G1196 PolarHBondContact O-N 3.46Å; L1194-Y1197 HydrophobicContact CB-CD2 4.16Å; L1194-Y1197 PolarHBondContact O-N 3.41Å |
| 1195 | K | 73.7 | Confident | 77.5 | Confident | 179 Ų | 179 | 78.7 Ų | 78.7 | 78% | 0.778 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53 | 133.9 | 176.6 | -69.1 | -173.9 | 175.7 | -172.5 | 0 | 110.4 | Y1197 | K1195-Y1197 WeakPolarHBondContact O-CD2 3.5Š|
| 1196 | G | 72.9 | Confident | 76.8 | Confident | 28 Ų | 28 | 76.1 Ų | 76.1 | 29% | 0.289 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.1 | 5.9 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | L1194 T1205 C1206 | L1194-G1196 PolarHBondContact O-N 3.46Å; G1196-T1205 CarbonylContact O-C 3.51Å; G1196-T1205 WeakPolarHBondContact O-CA 3.49Å; G1196-C1206 PolarHBondContact O-N 2.03Å |
| 1197 | Y | 82.4 | Confident | 76.4 | Confident | 106 Ų | 106 | 81 Ų | 81 | 42% | 0.416 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 142.8 | 177.9 | -62.1 | -94.1 | 0 | 0 | 0 | 111.9 | C1193 L1194 K1195 Q1204 | C1193-Y1197 WeakPolarHBondContact CB-O 3.27Å; L1194-Y1197 HydrophobicContact CB-CD2 4.16Å; L1194-Y1197 PolarHBondContact O-N 3.41Å; K1195-Y1197 WeakPolarHBondContact O-CD2 3.5Å; Y1197-Q1204 CarbonylContact C-O 3.55Å; Y1197-Q1204 WeakPolarHBondContact CA-O 3.44Å |
| 1198 | Y | 81.4 | Confident | 75.9 | Confident | 60 Ų | 60 | 72.2 Ų | 72.2 | 24% | 0.235 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | -178 | -178.2 | 78.2 | -74 | 0 | 0 | 0 | 111.9 | C1202 Q1204 C1206 H1216 | Y1198-C1202 CarbonylContact O-C 3.28Å; Y1198-C1202 VanDerWaalsContact O-C 3.3Å; Y1198-C1202 VanDerWaalsContact O-CA 3.28Å; Y1198-C1202 WeakPolarHBondContact O-CA 3.01Å; Y1198-Q1204 HydrophobicContact CD1-CB 3.78Å; Y1198-Q1204 VanDerWaalsContact CD1-O 3.23Å; Y1198-Q1204 WeakPolarHBondContact CD1-O 3.02Å; Y1198-Q1204 HydrophobicContact CD2-CB 4.47Å; Y1198-Q1204 HydrophobicContact CE1-CB 3.52Å; Y1198-Q1204 HydrophobicContact CE2-CB 4.24Å; Y1198-Q1204 HydrophobicContact CG-CB 4.27Å; Y1198-Q1204 PolarHBondContact N-O 2.03Å; Y1198-Q1204 PolarHBondContact O-N 3.19Å; Y1198-Q1204 VanDerWaalsContact O-N 3.15Å; Y1198-C1206 HydrophobicContact CD1-CB 4.37Å; Y1198-C1206 WeakPolarHBondContact CD1-SG 3.31Å; Y1198-H1216 WeakPolarHBondContact CA-O 3.47Å; Y1198-H1216 WeakPolarHBondContact CB-O 3.44Å |
| 1199 | G | 75.4 | Confident | 75.1 | Confident | 1 Ų | 1 | 70.6 Ų | 70.6 | 1% | 0.01 | 38% | 0.375 | C | S | . | . | S | Bend | trans | 77.3 | -173.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | S1182 G1183 H1201 C1202 | S1182-G1199 WeakPolarHBondContact CA-O 3.15Å; G1183-G1199 PolarHBondContact N-O 3.28Å; G1199-H1201 PolarHBondContact O-N 3.24Å; G1199-C1202 PolarHBondContact O-N 2.88Å |
| 1200 | V | 77.9 | Confident | 74 | Confident | 76 Ų | 76 | 81.8 Ų | 81.8 | 46% | 0.461 | 42% | 0.417 | S | S | . | . | G | 310 helix | trans | -56.8 | 129.4 | -178.7 | 170.8 | 0 | 0 | 0 | 0 | 109.9 | C1202 A1203 | V1200-C1202 PolarHBondContact O-N 3.49Å; V1200-A1203 VanDerWaalsContact O-CB 3.31Å; V1200-A1203 WeakPolarHBondContact O-CB 3.05Å; V1200-A1203 PolarHBondContact O-N 2.79Å |
| 1201 | H | 74.4 | Confident | 72.9 | Confident | 79 Ų | 79 | 86.6 Ų | 86.6 | 37% | 0.366 | 44% | 0.44 | S | S | . | . | G | 310 helix | trans | 56.7 | 11.7 | -174.2 | -66.8 | -157.7 | 0 | 0 | 0 | 115.4 | H1177 I1179 C1180 G1199 A1203 | H1177-H1201 AromaticContact CE1-CE1 3.58Å; I1179-H1201 VanDerWaalsContact CA-NE2 3.31Å; I1179-H1201 WeakPolarHBondContact CA-NE2 3.38Å; C1180-H1201 PolarHBondContact N-CD2 2.69Å; C1180-H1201 PolarHBondContact N-NE2 2.73Å; C1180-H1201 VanDerWaalsContact N-NE2 3.14Å; C1180-H1201 PolarHBondContact O-N 3.07Å; G1199-H1201 PolarHBondContact O-N 3.24Å; H1201-A1203 PolarHBondContact O-N 2.86Å |
| 1202 | C | 77.7 | Confident | 71.8 | Confident | 14 Ų | 14 | 84.7 Ų | 84.7 | 10% | 0.095 | 44% | 0.44 | C | S | . | . | G | 310 helix | trans | 60.5 | 26.7 | -166.5 | -47.2 | 0 | 0 | 0 | 0 | 113.8 | C1193 Y1198 G1199 V1200 Q1204 | C1193-C1202 WeakPolarHBondContact CA-SG 3.12Å; C1193-C1202 HydrophobicContact CB-CB 3.77Å; C1193-C1202 WeakPolarHBondContact CB-SG 3.37Å; C1193-C1202 VanDerWaalsContact SG-CA 3.56Å; C1193-C1202 WeakPolarHBondContact SG-CB 3.36Å; C1193-C1202 CovalentContact SG-SG 2.03Å; C1193-C1202 PolarHBondContact SG-SG 3.13Å; Y1198-C1202 CarbonylContact O-C 3.28Å; Y1198-C1202 VanDerWaalsContact O-C 3.3Å; Y1198-C1202 VanDerWaalsContact O-CA 3.28Å; Y1198-C1202 WeakPolarHBondContact O-CA 3.01Å; G1199-C1202 PolarHBondContact O-N 2.88Å; V1200-C1202 PolarHBondContact O-N 3.49Å; C1202-Q1204 VanDerWaalsContact C-N 3.26Å; C1202-Q1204 PolarHBondContact O-N 2.82Å |
| 1203 | A | 79.6 | Confident | 70.7 | Confident | 82 Ų | 82 | 86.9 Ų | 86.9 | 68% | 0.678 | 45% | 0.448 | S | S | * | . | trans | -77.6 | -5.7 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | V1200 H1201 | V1200-A1203 VanDerWaalsContact O-CB 3.31Å; V1200-A1203 WeakPolarHBondContact O-CB 3.05Å; V1200-A1203 PolarHBondContact O-N 2.79Å; H1201-A1203 PolarHBondContact O-N 2.86Å | ||
| 1204 | Q | 75.4 | Confident | 69.9 | Low | 97 Ų | 97 | 87 Ų | 87 | 45% | 0.453 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 126.1 | -179.4 | -62 | 174.5 | -51.1 | 0 | 0 | 109.8 | Y1197 Y1198 C1202 | Y1197-Q1204 CarbonylContact C-O 3.55Å; Y1197-Q1204 WeakPolarHBondContact CA-O 3.44Å; Y1198-Q1204 HydrophobicContact CD1-CB 3.78Å; Y1198-Q1204 VanDerWaalsContact CD1-O 3.23Å; Y1198-Q1204 WeakPolarHBondContact CD1-O 3.02Å; Y1198-Q1204 HydrophobicContact CD2-CB 4.47Å; Y1198-Q1204 HydrophobicContact CE1-CB 3.52Å; Y1198-Q1204 HydrophobicContact CE2-CB 4.24Å; Y1198-Q1204 HydrophobicContact CG-CB 4.27Å; Y1198-Q1204 PolarHBondContact N-O 2.03Å; Y1198-Q1204 PolarHBondContact O-N 3.19Å; Y1198-Q1204 VanDerWaalsContact O-N 3.15Å; C1202-Q1204 VanDerWaalsContact C-N 3.26Å; C1202-Q1204 PolarHBondContact O-N 2.82Å |
| 1205 | T | 77 | Confident | 69.3 | Low | 91 Ų | 91 | 85.1 Ų | 85.1 | 56% | 0.558 | 44% | 0.439 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 133.5 | 173.3 | -53.8 | 0 | 0 | 0 | 0 | 109.9 | G1196 | G1196-T1205 CarbonylContact O-C 3.51Å; G1196-T1205 WeakPolarHBondContact O-CA 3.49Å |
| 1206 | C | 67.6 | Low | 69.4 | Low | 21 Ų | 21 | 79.7 Ų | 79.7 | 14% | 0.142 | 42% | 0.416 | C | S | . | . | trans | -70.9 | 128.1 | 174.8 | -61.9 | 0 | 0 | 0 | 0 | 110.7 | G1196 Y1198 C1214 | G1196-C1206 PolarHBondContact O-N 2.03Å; Y1198-C1206 HydrophobicContact CD1-CB 4.37Å; Y1198-C1206 WeakPolarHBondContact CD1-SG 3.31Å; C1206-C1214 HydrophobicContact CB-CB 3.65Å; C1206-C1214 WeakPolarHBondContact CB-SG 3.21Å; C1206-C1214 WeakPolarHBondContact SG-CB 3.39Å; C1206-C1214 CovalentContact SG-SG 2.02Å; C1206-C1214 PolarHBondContact SG-SG 2.76Å | ||
| 1207 | N | 67.1 | Low | 69.1 | Low | 140 Ų | 140 | 82.1 Ų | 82.1 | 75% | 0.749 | 42% | 0.422 | S | S | * | . | trans | -108.8 | 43.5 | -179 | -159.6 | 25.5 | 0 | 0 | 0 | 111.7 | ||||
| 1208 | C | 63.5 | Low | 68.5 | Low | 18 Ų | 18 | 81 Ų | 81 | 12% | 0.122 | 43% | 0.426 | C | S | . | . | trans | -78.2 | 131.8 | 177.3 | -58.5 | 0 | 0 | 0 | 0 | 110.4 | N1212 C1221 | C1208-N1212 HydrophobicContact CB-CB 4.45Å; C1208-N1212 WeakPolarHBondContact CB-O 3.4Å; C1208-C1221 WeakPolarHBondContact CA-SG 3.05Å; C1208-C1221 HydrophobicContact CB-CB 3.94Å; C1208-C1221 WeakPolarHBondContact CB-SG 3.44Å; C1208-C1221 WeakPolarHBondContact SG-CB 3.31Å; C1208-C1221 CovalentContact SG-SG 2.04Å; C1208-C1221 PolarHBondContact SG-SG 3.25Å | ||
| 1209 | P | 60.3 | Low | 67.8 | Low | 80 Ų | 80 | 78.6 Ų | 78.6 | 52% | 0.519 | 42% | 0.42 | S | S | . | . | S | Bend | trans | -60.5 | 142.1 | 177.9 | -25.7 | 35.1 | 0 | 0 | 0 | 113.7 | N1212 | P1209-N1212 PolarHBondContact O-ND2 2.8Š|
| 1210 | R | 56.8 | Low | 67.2 | Low | 235 Ų | 235 | 84.7 Ų | 84.7 | 89% | 0.887 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.5 | 52.6 | 171.9 | -57.1 | -177.4 | 176.7 | -175.2 | -0.4 | 115.8 | N1212 | R1210-N1212 PolarHBondContact O-N 2.94Å; R1210-N1212 PolarHBondContact O-ND2 3.38Å |
| 1211 | E | 51.9 | Low | 66.6 | Low | 191 Ų | 191 | 81.8 Ų | 81.8 | 89% | 0.893 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.1 | 12.5 | 175.2 | -60 | -161.3 | 165.1 | 0 | 0 | 116.4 | N1213 | E1211-N1213 PolarHBondContact O-N 2.76Š|
| 1212 | N | 54.9 | Low | 65.7 | Low | 97 Ų | 97 | 84.2 Ų | 84.2 | 52% | 0.519 | 45% | 0.452 | S | S | . | . | P | Polyproline II helix | trans | -64.8 | 129.8 | 176.2 | -71.3 | -66.2 | 0 | 0 | 0 | 110.3 | C1208 P1209 R1210 C1214 | C1208-N1212 HydrophobicContact CB-CB 4.45Å; C1208-N1212 WeakPolarHBondContact CB-O 3.4Å; P1209-N1212 PolarHBondContact O-ND2 2.8Å; R1210-N1212 PolarHBondContact O-N 2.94Å; R1210-N1212 PolarHBondContact O-ND2 3.38Å; N1212-C1214 PolarHBondContact O-N 3.38Å |
| 1213 | N | 54.4 | Low | 64.9 | Low | 110 Ų | 110 | 85.3 Ų | 85.3 | 59% | 0.588 | 46% | 0.459 | S | S | * | . | P | Polyproline II helix | trans | -75.7 | 121.6 | -176.3 | -68.8 | -95.4 | 0 | 0 | 0 | 110 | E1211 | E1211-N1213 PolarHBondContact O-N 2.76Š|
| 1214 | C | 65.6 | Low | 63.8 | Low | 20 Ų | 20 | 85.5 Ų | 85.5 | 14% | 0.135 | 45% | 0.453 | C | S | . | . | P | Polyproline II helix | trans | -63.1 | 157.7 | 162.2 | 53.4 | 0 | 0 | 0 | 0 | 111.8 | C1206 N1212 | C1206-C1214 HydrophobicContact CB-CB 3.65Å; C1206-C1214 WeakPolarHBondContact CB-SG 3.21Å; C1206-C1214 WeakPolarHBondContact SG-CB 3.39Å; C1206-C1214 CovalentContact SG-SG 2.02Å; C1206-C1214 PolarHBondContact SG-SG 2.76Å; N1212-C1214 PolarHBondContact O-N 3.38Å |
| 1215 | D | 66.4 | Low | 62.7 | Low | 62 Ų | 62 | 82.9 Ų | 82.9 | 33% | 0.332 | 45% | 0.448 | S | S | . | . | P | Polyproline II helix | trans | -68.9 | 137.5 | 156.8 | 164.4 | -114.4 | 0 | 0 | 0 | 110.8 | I1217 T1218 G1219 | D1215-I1217 VanDerWaalsContact C-N 3.34Å; D1215-I1217 PolarHBondContact O-N 3.47Å; D1215-I1217 PolarHBondContact OD1-N 2.92Å; D1215-I1217 VanDerWaalsContact OD1-N 3.09Å; D1215-I1217 PolarHBondContact OD2-N 3.3Å; D1215-T1218 WeakPolarHBondContact CB-OG1 3.26Å; D1215-T1218 WeakPolarHBondContact OD1-CB 3.44Å; D1215-T1218 WeakPolarHBondContact OD1-CG2 3.32Å; D1215-T1218 PolarHBondContact OD1-N 3.39Å; D1215-T1218 PolarHBondContact OD1-OG1 3.21Å; D1215-G1219 VanDerWaalsContact O-CA 3.24Å; D1215-G1219 WeakPolarHBondContact O-CA 3.2Å; D1215-G1219 PolarHBondContact O-N 3.07Å |
| 1216 | H | 74.1 | Confident | 61.8 | Low | 65 Ų | 65 | 78.6 Ų | 78.6 | 30% | 0.301 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -21.1 | -177.8 | 66.5 | -30.4 | 0 | 0 | 0 | 115.7 | G1183 C1193 Y1198 | G1183-H1216 WeakPolarHBondContact CA-O 3.23Å; C1193-H1216 HydrophobicContact CB-CB 4.31Å; Y1198-H1216 WeakPolarHBondContact CA-O 3.47Å; Y1198-H1216 WeakPolarHBondContact CB-O 3.44Å |
| 1217 | I | 67.7 | Low | 61.5 | Low | 79 Ų | 79 | 81.8 Ų | 81.8 | 41% | 0.405 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | -45.2 | -178.7 | -68.1 | 163.5 | 0 | 0 | 0 | 110.5 | S1182 D1215 | S1182-I1217 WeakPolarHBondContact CB-O 3.5Å; D1215-I1217 VanDerWaalsContact C-N 3.34Å; D1215-I1217 PolarHBondContact O-N 3.47Å; D1215-I1217 PolarHBondContact OD1-N 2.92Å; D1215-I1217 VanDerWaalsContact OD1-N 3.09Å; D1215-I1217 PolarHBondContact OD2-N 3.3Å |
| 1218 | T | 70 | Confident | 61.3 | Low | 83 Ų | 83 | 77.9 Ų | 77.9 | 51% | 0.509 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | -25 | -172.6 | 60.2 | 0 | 0 | 0 | 0 | 114.3 | D1215 Q1220 | D1215-T1218 WeakPolarHBondContact CB-OG1 3.26Å; D1215-T1218 WeakPolarHBondContact OD1-CB 3.44Å; D1215-T1218 WeakPolarHBondContact OD1-CG2 3.32Å; D1215-T1218 PolarHBondContact OD1-N 3.39Å; D1215-T1218 PolarHBondContact OD1-OG1 3.21Å; T1218-Q1220 PolarHBondContact O-N 2.84Å; T1218-Q1220 PolarHBondContact OG1-N 2.85Å |
| 1219 | G | 66.9 | Low | 61.1 | Low | 9 Ų | 9 | 78.2 Ų | 78.2 | 9% | 0.093 | 42% | 0.42 | C | S | . | . | trans | 74.9 | 2.4 | -172.9 | 0 | 0 | 0 | 0 | 0 | 115 | D1215 | D1215-G1219 VanDerWaalsContact O-CA 3.24Å; D1215-G1219 WeakPolarHBondContact O-CA 3.2Å; D1215-G1219 PolarHBondContact O-N 3.07Å | ||
| 1220 | Q | 62.9 | Low | 60.9 | Low | 130 Ų | 130 | 78.8 Ų | 78.8 | 61% | 0.607 | 42% | 0.423 | S | S | * | . | P | Polyproline II helix | trans | -69.1 | 131.1 | -170.4 | -172.9 | 171.6 | -7.7 | 0 | 0 | 112.5 | T1218 | T1218-Q1220 PolarHBondContact O-N 2.84Å; T1218-Q1220 PolarHBondContact OG1-N 2.85Å |
| 1221 | C | 65.1 | Low | 61 | Low | 14 Ų | 14 | 69 Ų | 69 | 10% | 0.095 | 39% | 0.393 | C | S | . | . | P | Polyproline II helix | trans | -94.4 | 161.4 | 171.9 | -45.7 | 0 | 0 | 0 | 0 | 111.4 | C1208 P1230 | C1208-C1221 WeakPolarHBondContact CA-SG 3.05Å; C1208-C1221 HydrophobicContact CB-CB 3.94Å; C1208-C1221 WeakPolarHBondContact CB-SG 3.44Å; C1208-C1221 WeakPolarHBondContact SG-CB 3.31Å; C1208-C1221 CovalentContact SG-SG 2.04Å; C1208-C1221 PolarHBondContact SG-SG 3.25Å; C1221-P1230 PolarHBondContact N-O 2.85Å; C1221-P1230 PolarHBondContact SG-O 2.88Å |
| 1222 | T | 55.7 | Low | 61.4 | Low | 131 Ų | 131 | 60.7 Ų | 60.7 | 80% | 0.804 | 36% | 0.356 | S | S | * | . | P | Polyproline II helix | trans | -100.3 | 140.4 | 169.8 | 46.1 | 0 | 0 | 0 | 0 | 111.3 | C1232 | T1222-C1232 PolarHBondContact O-SG 3.11Å; T1222-C1232 VanDerWaalsContact O-SG 3.35Å |
| 1223 | C | 59.2 | Low | 61.6 | Low | 37 Ų | 37 | 59.7 Ų | 59.7 | 25% | 0.25 | 36% | 0.356 | C | S | . | . | trans | -116.7 | 146.3 | -159.5 | -55.1 | 0 | 0 | 0 | 0 | 115.4 | C1232 | C1223-C1232 WeakPolarHBondContact CA-SG 3.43Å; C1223-C1232 HydrophobicContact CB-CB 3.65Å; C1223-C1232 WeakPolarHBondContact CB-SG 3.48Å; C1223-C1232 WeakPolarHBondContact SG-CA 3.24Å; C1223-C1232 WeakPolarHBondContact SG-CB 3.39Å; C1223-C1232 CovalentContact SG-SG 2.04Å; C1223-C1232 PolarHBondContact SG-SG 3.43Å | ||
| 1224 | P | 57.5 | Low | 61.7 | Low | 85 Ų | 85 | 59.6 Ų | 59.6 | 55% | 0.552 | 35% | 0.352 | S | S | * | . | trans | -75.8 | 166.1 | 167.5 | -12.6 | 29.6 | 0 | 0 | 0 | 113.1 | Y1227 | P1224-Y1227 PolarHBondContact O-N 2.94Š| ||
| 1225 | A | 53.2 | Low | 61.2 | Low | 43 Ų | 43 | 63.7 Ų | 63.7 | 36% | 0.355 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | 146.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y1227 Q1243 | A1225-Y1227 VanDerWaalsContact C-N 3.28Å; A1225-Y1227 WeakPolarHBondContact O-CD2 3.4Å; A1225-Q1243 HydrophobicContact CB-CB 3.78Å; A1225-Q1243 HydrophobicContact CB-CG 4.13Å |
| 1226 | G | 56.6 | Low | 61.4 | Low | 1 Ų | 1 | 61.3 Ų | 61.3 | 1% | 0.01 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 84.6 | -8.6 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | L1235 C1236 G1242 | G1226-L1235 WeakPolarHBondContact O-CA 3.25Å; G1226-C1236 PolarHBondContact O-N 3.5Å; G1226-G1242 PolarHBondContact N-O 3.16Å |
| 1227 | Y | 61.4 | Low | 61 | Low | 88 Ų | 88 | 62.1 Ų | 62.1 | 35% | 0.345 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 150.6 | -175.3 | -64.1 | -89.4 | 0 | 0 | 0 | 113 | P1224 A1225 C1232 H1234 L1235 | P1224-Y1227 PolarHBondContact O-N 2.94Å; A1225-Y1227 VanDerWaalsContact C-N 3.28Å; A1225-Y1227 WeakPolarHBondContact O-CD2 3.4Å; Y1227-C1232 WeakPolarHBondContact CD1-O 3.37Å; Y1227-H1234 CarbonylContact C-O 3.43Å; Y1227-H1234 VanDerWaalsContact CA-O 3.32Å; Y1227-H1234 WeakPolarHBondContact CA-O 3.48Å; Y1227-L1235 HydrophobicContact CD1-CD1 4.39Å; Y1227-L1235 HydrophobicContact CE1-CD1 3.91Å; Y1227-L1235 HydrophobicContact CE1-CG 4.33Å |
| 1228 | T | 64 | Low | 60.4 | Low | 57 Ų | 57 | 67.2 Ų | 67.2 | 35% | 0.35 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | -174.6 | 179.6 | -166.4 | 0 | 0 | 0 | 0 | 110.6 | C1232 S1233 H1234 | T1228-C1232 CarbonylContact O-C 3.55Å; T1228-S1233 PolarHBondContact O-N 3.29Å; T1228-H1234 HydrophobicContact CG2-CB 3.99Å; T1228-H1234 PolarHBondContact N-O 2.84Å; T1228-H1234 WeakPolarHBondContact O-CB 3.23Å; T1228-H1234 PolarHBondContact O-N 3.38Å; T1228-H1234 VanDerWaalsContact O-N 3.09Å |
| 1229 | G | 57.8 | Low | 60.1 | Low | 26 Ų | 26 | 64.5 Ų | 64.5 | 27% | 0.268 | 38% | 0.382 | S | S | . | . | S | Bend | trans | 76 | 168.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | A1231 C1232 | G1229-A1231 VanDerWaalsContact C-N 3.32Å; G1229-A1231 PolarHBondContact O-N 3.39Å; G1229-C1232 PolarHBondContact O-N 3.18Å |
| 1230 | P | 56.6 | Low | 60.3 | Low | 91 Ų | 91 | 65.8 Ų | 65.8 | 59% | 0.591 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -26 | -160.7 | 23.6 | -34.2 | 0 | 0 | 0 | 115.4 | C1221 | C1221-P1230 PolarHBondContact N-O 2.85Å; C1221-P1230 PolarHBondContact SG-O 2.88Å |
| 1231 | A | 58.6 | Low | 60.6 | Low | 31 Ų | 31 | 62.6 Ų | 62.6 | 26% | 0.256 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.5 | 12.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | G1229 S1233 | G1229-A1231 VanDerWaalsContact C-N 3.32Å; G1229-A1231 PolarHBondContact O-N 3.39Å; A1231-S1233 PolarHBondContact O-N 3.47Å |
| 1232 | C | 61 | Low | 60.4 | Low | 15 Ų | 15 | 62.8 Ų | 62.8 | 10% | 0.101 | 38% | 0.376 | C | S | . | . | S | Bend | trans | 54.4 | 31.6 | -172.4 | -51 | 0 | 0 | 0 | 0 | 113.6 | T1222 C1223 Y1227 T1228 G1229 | T1222-C1232 PolarHBondContact O-SG 3.11Å; T1222-C1232 VanDerWaalsContact O-SG 3.35Å; C1223-C1232 WeakPolarHBondContact CA-SG 3.43Å; C1223-C1232 HydrophobicContact CB-CB 3.65Å; C1223-C1232 WeakPolarHBondContact CB-SG 3.48Å; C1223-C1232 WeakPolarHBondContact SG-CA 3.24Å; C1223-C1232 WeakPolarHBondContact SG-CB 3.39Å; C1223-C1232 CovalentContact SG-SG 2.04Å; C1223-C1232 PolarHBondContact SG-SG 3.43Å; Y1227-C1232 WeakPolarHBondContact CD1-O 3.37Å; T1228-C1232 CarbonylContact O-C 3.55Å; G1229-C1232 PolarHBondContact O-N 3.18Å |
| 1233 | S | 58.1 | Low | 60.6 | Low | 77 Ų | 77 | 62.8 Ų | 62.8 | 54% | 0.538 | 37% | 0.368 | S | S | . | . | trans | -110.8 | -9.6 | -170.4 | 62.3 | 0 | 0 | 0 | 0 | 113.9 | T1228 A1231 | T1228-S1233 PolarHBondContact O-N 3.29Å; A1231-S1233 PolarHBondContact O-N 3.47Å | ||
| 1234 | H | 57.2 | Low | 60.3 | Low | 107 Ų | 107 | 66 Ų | 66 | 50% | 0.495 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 131.5 | 173.3 | -61.7 | -110.8 | 0 | 0 | 0 | 107.4 | Y1227 T1228 | Y1227-H1234 CarbonylContact C-O 3.43Å; Y1227-H1234 VanDerWaalsContact CA-O 3.32Å; Y1227-H1234 WeakPolarHBondContact CA-O 3.48Å; T1228-H1234 HydrophobicContact CG2-CB 3.99Å; T1228-H1234 PolarHBondContact N-O 2.84Å; T1228-H1234 WeakPolarHBondContact O-CB 3.23Å; T1228-H1234 PolarHBondContact O-N 3.38Å; T1228-H1234 VanDerWaalsContact O-N 3.09Å |
| 1235 | L | 56.3 | Low | 60.6 | Low | 106 Ų | 106 | 62.8 Ų | 62.8 | 56% | 0.555 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 166 | 166.9 | -82.7 | 72.9 | 0 | 0 | 0 | 109.6 | G1226 Y1227 A1259 | G1226-L1235 WeakPolarHBondContact O-CA 3.25Å; Y1227-L1235 HydrophobicContact CD1-CD1 4.39Å; Y1227-L1235 HydrophobicContact CE1-CD1 3.91Å; Y1227-L1235 HydrophobicContact CE1-CG 4.33Å; L1235-A1259 HydrophobicContact CB-CB 4.47Å; L1235-A1259 HydrophobicContact CD2-CB 4.32Å |
| 1236 | C | 68.7 | Low | 61 | Low | 12 Ų | 12 | 67.4 Ų | 67.4 | 8% | 0.081 | 38% | 0.38 | C | S | . | . | P | Polyproline II helix | trans | -53.6 | 144.2 | 169.6 | -64.6 | 0 | 0 | 0 | 0 | 112.3 | G1226 T1240 C1245 A1259 | G1226-C1236 PolarHBondContact O-N 3.5Å; C1236-T1240 WeakPolarHBondContact CB-O 3.35Å; C1236-C1245 WeakPolarHBondContact CA-SG 3.3Å; C1236-C1245 HydrophobicContact CB-CB 3.55Å; C1236-C1245 WeakPolarHBondContact CB-SG 3.46Å; C1236-C1245 WeakPolarHBondContact SG-CA 3.39Å; C1236-C1245 WeakPolarHBondContact SG-CB 3Å; C1236-C1245 CovalentContact SG-SG 2.03Å; C1236-C1245 PolarHBondContact SG-SG 2.9Å; C1236-A1259 HydrophobicContact CB-CB 3.99Å |
| 1237 | P | 65.9 | Low | 61.2 | Low | 82 Ų | 82 | 68.3 Ų | 68.3 | 53% | 0.532 | 39% | 0.39 | S | S | . | . | P | Polyproline II helix | trans | -52.1 | 150.2 | 175.4 | -28 | 35.4 | 0 | 0 | 0 | 113.2 | G1239 T1240 | P1237-G1239 PolarHBondContact O-N 3.46Å; P1237-G1239 VanDerWaalsContact O-N 3.11Å; P1237-T1240 PolarHBondContact O-N 3.21Å; P1237-T1240 PolarHBondContact O-OG1 2.82Å |
| 1238 | E | 55.9 | Low | 61.1 | Low | 187 Ų | 187 | 74.3 Ų | 74.3 | 87% | 0.874 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.4 | 120.8 | -176.9 | -75.9 | -173.8 | -160 | 0 | 0 | 112.3 | ||
| 1239 | G | 62.9 | Low | 60.8 | Low | 26 Ų | 26 | 72.4 Ų | 72.4 | 27% | 0.268 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.1 | 11 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | P1237 R1248 C1249 | P1237-G1239 PolarHBondContact O-N 3.46Å; P1237-G1239 VanDerWaalsContact O-N 3.11Å; G1239-R1248 CarbonylContact O-C 3.46Å; G1239-R1248 WeakPolarHBondContact O-CA 3.48Å; G1239-R1248 WeakPolarHBondContact O-CG 3.45Å; G1239-C1249 PolarHBondContact O-N 3.09Å |
| 1240 | T | 72.4 | Confident | 60.9 | Low | 36 Ų | 36 | 76.8 Ų | 76.8 | 22% | 0.221 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 157 | 165.6 | 72.5 | 0 | 0 | 0 | 0 | 113.6 | C1236 P1237 C1245 G1247 | C1236-T1240 WeakPolarHBondContact CB-O 3.35Å; P1237-T1240 PolarHBondContact O-N 3.21Å; P1237-T1240 PolarHBondContact O-OG1 2.82Å; T1240-C1245 WeakPolarHBondContact CB-O 3.48Å; T1240-C1245 PolarHBondContact OG1-O 3.31Å; T1240-G1247 CarbonylContact C-O 3.55Å; T1240-G1247 WeakPolarHBondContact CA-O 3Å; T1240-G1247 WeakPolarHBondContact CB-O 3.37Å |
| 1241 | F | 69.1 | Low | 61.3 | Low | 62 Ų | 62 | 74.8 Ų | 74.8 | 27% | 0.272 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 165.2 | -173.9 | 72.6 | -87.2 | 0 | 0 | 0 | 114.2 | C1245 N1246 G1247 A1259 | F1241-C1245 CarbonylContact O-C 3.52Å; F1241-N1246 PolarHBondContact O-N 2.93Å; F1241-G1247 PolarHBondContact N-O 2.81Å; F1241-G1247 PolarHBondContact O-N 3.4Å; F1241-A1259 CarbonylContact C-O 3.33Å; F1241-A1259 WeakPolarHBondContact CA-O 3.21Å; F1241-A1259 WeakPolarHBondContact CB-O 3.4Å |
| 1242 | G | 61.4 | Low | 61.4 | Low | 18 Ų | 18 | 77.3 Ų | 77.3 | 19% | 0.186 | 43% | 0.43 | C | S | . | . | S | Bend | trans | 94.3 | -164.8 | 170.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | G1226 D1244 C1245 A1259 | G1226-G1242 PolarHBondContact N-O 3.16Å; G1242-D1244 PolarHBondContact O-N 2.82Å; G1242-C1245 PolarHBondContact O-N 2.84Å; G1242-A1259 PolarHBondContact N-O 3.48Å |
| 1243 | Q | 59.8 | Low | 61.5 | Low | 132 Ų | 132 | 80.6 Ų | 80.6 | 62% | 0.617 | 46% | 0.459 | S | S | * | . | G | 310 helix | trans | -73.1 | 127.4 | 179.3 | -162.9 | 168.3 | 3.6 | 0 | 0 | 110.7 | A1225 C1245 N1246 | A1225-Q1243 HydrophobicContact CB-CB 3.78Å; A1225-Q1243 HydrophobicContact CB-CG 4.13Å; Q1243-C1245 PolarHBondContact O-N 3.38Å; Q1243-N1246 PolarHBondContact O-ND2 3.18Å; Q1243-N1246 VanDerWaalsContact O-ND2 3.12Å |
| 1244 | D | 52.7 | Low | 61.5 | Low | 105 Ų | 105 | 79.9 Ų | 79.9 | 56% | 0.561 | 45% | 0.449 | S | S | * | . | G | 310 helix | trans | 48.3 | 27.2 | -167.4 | -58.4 | -54.3 | 0 | 0 | 0 | 113.9 | G1242 N1246 | G1242-D1244 PolarHBondContact O-N 2.82Å; D1244-N1246 PolarHBondContact O-N 2.02Å; D1244-N1246 PolarHBondContact O-ND2 3.34Å |
| 1245 | C | 63.9 | Low | 61.6 | Low | 17 Ų | 17 | 75.6 Ų | 75.6 | 12% | 0.115 | 43% | 0.431 | C | S | . | . | G | 310 helix | trans | 62.1 | 33.7 | 168 | -51.5 | 0 | 0 | 0 | 0 | 116.4 | C1236 T1240 F1241 G1242 Q1243 | C1236-C1245 WeakPolarHBondContact CA-SG 3.3Å; C1236-C1245 HydrophobicContact CB-CB 3.55Å; C1236-C1245 WeakPolarHBondContact CB-SG 3.46Å; C1236-C1245 WeakPolarHBondContact SG-CA 3.39Å; C1236-C1245 WeakPolarHBondContact SG-CB 3Å; C1236-C1245 CovalentContact SG-SG 2.03Å; C1236-C1245 PolarHBondContact SG-SG 2.9Å; T1240-C1245 WeakPolarHBondContact CB-O 3.48Å; T1240-C1245 PolarHBondContact OG1-O 3.31Å; F1241-C1245 CarbonylContact O-C 3.52Å; G1242-C1245 PolarHBondContact O-N 2.84Å; Q1243-C1245 PolarHBondContact O-N 3.38Å |
| 1246 | N | 61.2 | Low | 61.5 | Low | 139 Ų | 139 | 75.5 Ų | 75.5 | 74% | 0.743 | 43% | 0.428 | S | S | * | . | trans | -82.1 | -15.4 | -173.3 | -74.3 | -73.2 | 0 | 0 | 0 | 116.5 | F1241 Q1243 D1244 | F1241-N1246 PolarHBondContact O-N 2.93Å; Q1243-N1246 PolarHBondContact O-ND2 3.18Å; Q1243-N1246 VanDerWaalsContact O-ND2 3.12Å; D1244-N1246 PolarHBondContact O-N 2.02Å; D1244-N1246 PolarHBondContact O-ND2 3.34Å | ||
| 1247 | G | 60.2 | Low | 61.4 | Low | 21 Ų | 21 | 76.4 Ų | 76.4 | 22% | 0.216 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 161.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | T1240 F1241 | T1240-G1247 CarbonylContact C-O 3.55Å; T1240-G1247 WeakPolarHBondContact CA-O 3Å; T1240-G1247 WeakPolarHBondContact CB-O 3.37Å; F1241-G1247 PolarHBondContact N-O 2.81Å; F1241-G1247 PolarHBondContact O-N 3.4Å |
| 1248 | R | 60.3 | Low | 61.2 | Low | 213 Ų | 213 | 74.2 Ų | 74.2 | 80% | 0.804 | 42% | 0.418 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 137.4 | 177.5 | -166.5 | 179.4 | -172.7 | -115.9 | 1.9 | 112.8 | G1239 | G1239-R1248 CarbonylContact O-C 3.46Å; G1239-R1248 WeakPolarHBondContact O-CA 3.48Å; G1239-R1248 WeakPolarHBondContact O-CG 3.45Å |
| 1249 | C | 57.6 | Low | 61.5 | Low | 18 Ų | 18 | 65.9 Ų | 65.9 | 12% | 0.122 | 38% | 0.38 | C | S | . | . | trans | -89.8 | 170.7 | -174.9 | -50.4 | 0 | 0 | 0 | 0 | 114.3 | G1239 C1257 | G1239-C1249 PolarHBondContact O-N 3.09Å; C1249-C1257 HydrophobicContact CB-CB 3.64Å; C1249-C1257 WeakPolarHBondContact CB-SG 3.33Å; C1249-C1257 WeakPolarHBondContact SG-CB 3.37Å; C1249-C1257 CovalentContact SG-SG 2.03Å; C1249-C1257 PolarHBondContact SG-SG 3.48Å | ||
| 1250 | S | 59.8 | Low | 61 | Low | 118 Ų | 118 | 69.4 Ų | 69.4 | 83% | 0.825 | 39% | 0.392 | S | S | * | . | trans | -147.9 | 88.4 | 171.1 | -72.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1251 | C | 65.3 | Low | 60.7 | Low | 48 Ų | 48 | 71.6 Ų | 71.6 | 32% | 0.324 | 41% | 0.405 | S | S | . | . | trans | -116.8 | 163.1 | -175.2 | -59.3 | 0 | 0 | 0 | 0 | 112.2 | C1264 | C1251-C1264 WeakPolarHBondContact CA-SG 3.23Å; C1251-C1264 HydrophobicContact CB-CB 3.8Å; C1251-C1264 WeakPolarHBondContact CB-SG 2.99Å; C1251-C1264 WeakPolarHBondContact SG-CB 3Å; C1251-C1264 CovalentContact SG-SG 2.04Å; C1251-C1264 PolarHBondContact SG-SG 2.99Å | ||
| 1252 | S | 59.9 | Low | 60.2 | Low | 84 Ų | 84 | 69.6 Ų | 69.6 | 59% | 0.587 | 40% | 0.403 | S | S | * | . | trans | -70 | 154.8 | 171.3 | -57.2 | 0 | 0 | 0 | 0 | 111.5 | N1254 S1255 | S1252-N1254 VanDerWaalsContact C-N 3.28Å; S1252-N1254 PolarHBondContact O-N 3.1Å; S1252-S1255 WeakPolarHBondContact CB-OG 3.23Å; S1252-S1255 PolarHBondContact N-OG 2.95Å; S1252-S1255 VanDerWaalsContact N-OG 3.17Å; S1252-S1255 PolarHBondContact O-N 3.46Å; S1252-S1255 VanDerWaalsContact O-O 3.12Å; S1252-S1255 PolarHBondContact O-OG 3.18Å; S1252-S1255 VanDerWaalsContact O-OG 3.06Å | ||
| 1253 | A | 62.9 | Low | 60.1 | Low | 84 Ų | 84 | 73.8 Ų | 73.8 | 69% | 0.694 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -34.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115 | S1255 K1267 | A1253-S1255 VanDerWaalsContact C-N 3.3Å; A1253-K1267 PolarHBondContact O-NZ 3.12Å |
| 1254 | N | 58.3 | Low | 60.4 | Low | 63 Ų | 63 | 70.1 Ų | 70.1 | 34% | 0.337 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | 10.2 | 177.1 | -70.8 | 17.9 | 0 | 0 | 0 | 113.2 | S1252 K1267 C1275 | S1252-N1254 VanDerWaalsContact C-N 3.28Å; S1252-N1254 PolarHBondContact O-N 3.1Å; N1254-K1267 PolarHBondContact O-N 3.29Å; N1254-C1275 HydrophobicContact CB-CB 3.69Å; N1254-C1275 WeakPolarHBondContact CB-O 2.98Å; N1254-C1275 PolarHBondContact ND2-O 2.66Å |
| 1255 | S | 59.8 | Low | 60.9 | Low | 16 Ų | 16 | 70.8 Ų | 70.8 | 11% | 0.112 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 159.8 | 171.2 | 55.8 | 0 | 0 | 0 | 0 | 112.6 | S1252 A1253 Y1265 | S1252-S1255 WeakPolarHBondContact CB-OG 3.23Å; S1252-S1255 PolarHBondContact N-OG 2.95Å; S1252-S1255 VanDerWaalsContact N-OG 3.17Å; S1252-S1255 PolarHBondContact O-N 3.46Å; S1252-S1255 VanDerWaalsContact O-O 3.12Å; S1252-S1255 PolarHBondContact O-OG 3.18Å; S1252-S1255 VanDerWaalsContact O-OG 3.06Å; A1253-S1255 VanDerWaalsContact C-N 3.3Å; S1255-Y1265 CarbonylContact C-O 3.45Å; S1255-Y1265 WeakPolarHBondContact CA-O 3.16Å; S1255-Y1265 WeakPolarHBondContact CB-O 2.99Å |
| 1256 | E | 54.4 | Low | 61 | Low | 105 Ų | 105 | 71 Ų | 71 | 49% | 0.491 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 146.9 | -169 | -169 | 172.4 | 171.1 | 0 | 0 | 109.2 | C1264 Y1265 K1267 | E1256-C1264 CarbonylContact O-C 3.51Å; E1256-C1264 WeakPolarHBondContact O-CA 3.34Å; E1256-Y1265 PolarHBondContact N-O 3.22Å; E1256-Y1265 PolarHBondContact O-N 3.19Å; E1256-K1267 HydrophobicContact CB-CG 4.2Å |
| 1257 | C | 66.6 | Low | 61 | Low | 30 Ų | 30 | 68 Ų | 68 | 20% | 0.203 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 135.5 | -170 | -167.5 | 0 | 0 | 0 | 0 | 113 | C1249 A1259 G1262 | C1249-C1257 HydrophobicContact CB-CB 3.64Å; C1249-C1257 WeakPolarHBondContact CB-SG 3.33Å; C1249-C1257 WeakPolarHBondContact SG-CB 3.37Å; C1249-C1257 CovalentContact SG-SG 2.03Å; C1249-C1257 PolarHBondContact SG-SG 3.48Å; C1257-A1259 PolarHBondContact O-N 2.65Å; C1257-G1262 VanDerWaalsContact SG-C 3.53Å; C1257-G1262 VanDerWaalsContact SG-CA 3.59Å; C1257-G1262 PolarHBondContact SG-O 2.7Å |
| 1258 | D | 60.2 | Low | 61.3 | Low | 37 Ų | 37 | 69.5 Ų | 69.5 | 20% | 0.198 | 39% | 0.389 | C | S | . | . | trans | -65.2 | 114.3 | 169.7 | -174.4 | -35.2 | 0 | 0 | 0 | 111.5 | I1260 T1261 G1262 Q1263 Y1265 | D1258-I1260 PolarHBondContact O-N 3.27Å; D1258-I1260 VanDerWaalsContact O-N 3.14Å; D1258-I1260 WeakPolarHBondContact OD1-CA 3.08Å; D1258-I1260 WeakPolarHBondContact OD1-CB 3.5Å; D1258-I1260 PolarHBondContact OD1-N 2.94Å; D1258-T1261 WeakPolarHBondContact CB-OG1 3.08Å; D1258-T1261 PolarHBondContact O-N 3.01Å; D1258-T1261 PolarHBondContact OD1-N 3.02Å; D1258-T1261 PolarHBondContact OD2-OG1 3.22Å; D1258-G1262 WeakPolarHBondContact O-CA 3.1Å; D1258-G1262 PolarHBondContact O-N 3.42Å; D1258-Q1263 HydrophobicContact CB-CB 4.22Å; D1258-Q1263 WeakPolarHBondContact CB-O 3.4Å; D1258-Q1263 PolarHBondContact N-O 2.04Å; D1258-Y1265 HydrophobicContact CB-CE2 4.12Å | ||
| 1259 | A | 62 | Low | 61.3 | Low | 11 Ų | 11 | 59.7 Ų | 59.7 | 9% | 0.091 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -8.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | L1235 C1236 F1241 G1242 C1257 | L1235-A1259 HydrophobicContact CB-CB 4.47Å; L1235-A1259 HydrophobicContact CD2-CB 4.32Å; C1236-A1259 HydrophobicContact CB-CB 3.99Å; F1241-A1259 CarbonylContact C-O 3.33Å; F1241-A1259 WeakPolarHBondContact CA-O 3.21Å; F1241-A1259 WeakPolarHBondContact CB-O 3.4Å; G1242-A1259 PolarHBondContact N-O 3.48Å; C1257-A1259 PolarHBondContact O-N 2.65Å |
| 1260 | I | 53.5 | Low | 61.7 | Low | 101 Ų | 101 | 61.8 Ų | 61.8 | 52% | 0.518 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.2 | -43.3 | 177.5 | -57.1 | 174.3 | 0 | 0 | 0 | 110.4 | D1258 | D1258-I1260 PolarHBondContact O-N 3.27Å; D1258-I1260 VanDerWaalsContact O-N 3.14Å; D1258-I1260 WeakPolarHBondContact OD1-CA 3.08Å; D1258-I1260 WeakPolarHBondContact OD1-CB 3.5Å; D1258-I1260 PolarHBondContact OD1-N 2.94Å |
| 1261 | T | 65.9 | Low | 61.9 | Low | 81 Ų | 81 | 57.1 Ų | 57.1 | 50% | 0.497 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.8 | -17.4 | -170.2 | 73.5 | 0 | 0 | 0 | 0 | 115.9 | D1258 Q1263 | D1258-T1261 WeakPolarHBondContact CB-OG1 3.08Å; D1258-T1261 PolarHBondContact O-N 3.01Å; D1258-T1261 PolarHBondContact OD1-N 3.02Å; D1258-T1261 PolarHBondContact OD2-OG1 3.22Å; T1261-Q1263 WeakPolarHBondContact OG1-CB 3.31Å; T1261-Q1263 PolarHBondContact OG1-N 3.17Å |
| 1262 | G | 58.2 | Low | 61.6 | Low | 21 Ų | 21 | 56.2 Ų | 56.2 | 22% | 0.216 | 33% | 0.329 | C | S | . | . | trans | 82 | 4.3 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | C1257 D1258 | C1257-G1262 VanDerWaalsContact SG-C 3.53Å; C1257-G1262 VanDerWaalsContact SG-CA 3.59Å; C1257-G1262 PolarHBondContact SG-O 2.7Å; D1258-G1262 WeakPolarHBondContact O-CA 3.1Å; D1258-G1262 PolarHBondContact O-N 3.42Å | ||
| 1263 | Q | 59.1 | Low | 61.5 | Low | 105 Ų | 105 | 61.4 Ų | 61.4 | 49% | 0.491 | 35% | 0.35 | S | S | . | . | trans | -76.7 | 140.1 | -177.9 | -176.5 | 170.1 | -21.8 | 0 | 0 | 113.2 | D1258 T1261 Y1265 | D1258-Q1263 HydrophobicContact CB-CB 4.22Å; D1258-Q1263 WeakPolarHBondContact CB-O 3.4Å; D1258-Q1263 PolarHBondContact N-O 2.04Å; T1261-Q1263 WeakPolarHBondContact OG1-CB 3.31Å; T1261-Q1263 PolarHBondContact OG1-N 3.17Å; Q1263-Y1265 HydrophobicContact CB-CE2 4.2Å; Q1263-Y1265 VanDerWaalsContact CD-OH 3.31Å; Q1263-Y1265 HydrophobicContact CG-CE1 4.37Å; Q1263-Y1265 HydrophobicContact CG-CE2 4.08Å; Q1263-Y1265 PolarHBondContact NE2-OH 3.08Å | ||
| 1264 | C | 65.9 | Low | 61.4 | Low | 55 Ų | 55 | 60.9 Ų | 60.9 | 37% | 0.372 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 132.4 | 179.9 | -51 | 0 | 0 | 0 | 0 | 112.8 | C1251 E1256 | C1251-C1264 WeakPolarHBondContact CA-SG 3.23Å; C1251-C1264 HydrophobicContact CB-CB 3.8Å; C1251-C1264 WeakPolarHBondContact CB-SG 2.99Å; C1251-C1264 WeakPolarHBondContact SG-CB 3Å; C1251-C1264 CovalentContact SG-SG 2.04Å; C1251-C1264 PolarHBondContact SG-SG 2.99Å; E1256-C1264 CarbonylContact O-C 3.51Å; E1256-C1264 WeakPolarHBondContact O-CA 3.34Å |
| 1265 | Y | 63.1 | Low | 61.6 | Low | 120 Ų | 120 | 58.3 Ų | 58.3 | 47% | 0.471 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 145.7 | 176.6 | -62.1 | -78.8 | 0 | 0 | 0 | 112.3 | S1255 E1256 D1258 Q1263 | S1255-Y1265 CarbonylContact C-O 3.45Å; S1255-Y1265 WeakPolarHBondContact CA-O 3.16Å; S1255-Y1265 WeakPolarHBondContact CB-O 2.99Å; E1256-Y1265 PolarHBondContact N-O 3.22Å; E1256-Y1265 PolarHBondContact O-N 3.19Å; D1258-Y1265 HydrophobicContact CB-CE2 4.12Å; Q1263-Y1265 HydrophobicContact CB-CE2 4.2Å; Q1263-Y1265 VanDerWaalsContact CD-OH 3.31Å; Q1263-Y1265 HydrophobicContact CG-CE1 4.37Å; Q1263-Y1265 HydrophobicContact CG-CE2 4.08Å; Q1263-Y1265 PolarHBondContact NE2-OH 3.08Å |
| 1266 | C | 66 | Low | 61.7 | Low | 22 Ų | 22 | 67.6 Ų | 67.6 | 15% | 0.149 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 135.8 | 174.9 | -67.3 | 0 | 0 | 0 | 0 | 111.9 | C1275 S1286 | C1266-C1275 WeakPolarHBondContact CA-SG 3.15Å; C1266-C1275 HydrophobicContact CB-CB 3.7Å; C1266-C1275 WeakPolarHBondContact CB-SG 3.47Å; C1266-C1275 WeakPolarHBondContact SG-CB 3.44Å; C1266-C1275 CovalentContact SG-SG 2.04Å; C1266-C1275 PolarHBondContact SG-SG 3.49Å; C1266-S1286 WeakPolarHBondContact O-CB 3.26Å |
| 1267 | K | 62.9 | Low | 62 | Low | 75 Ų | 75 | 67.5 Ų | 67.5 | 33% | 0.326 | 37% | 0.368 | S | S | . | . | P | Polyproline II helix | trans | -61.4 | 148.8 | 173.9 | -70.4 | 172.3 | 179.2 | 169 | 0 | 111 | A1253 N1254 E1256 H1270 | A1253-K1267 PolarHBondContact O-NZ 3.12Å; N1254-K1267 PolarHBondContact O-N 3.29Å; E1256-K1267 HydrophobicContact CB-CG 4.2Å; K1267-H1270 PolarHBondContact O-N 3.13Å |
| 1268 | P | 65.7 | Low | 61.8 | Low | 52 Ų | 52 | 68.9 Ų | 68.9 | 34% | 0.338 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | 156.4 | 177.3 | -25 | 35.1 | 0 | 0 | 0 | 113.3 | H1270 E1303 | P1268-H1270 PolarHBondContact O-N 2.84Å; P1268-E1303 HydrophobicContact CB-CB 4.11Å; P1268-E1303 WeakPolarHBondContact CB-O 3.3Å |
| 1269 | G | 60.8 | Low | 62.4 | Low | 8 Ų | 8 | 68.3 Ų | 68.3 | 8% | 0.082 | 39% | 0.385 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.8 | -15.1 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | G1278 C1279 G1285 P1302 | G1269-G1278 WeakPolarHBondContact O-CA 3.31Å; G1269-C1279 VanDerWaalsContact C-SG 3.53Å; G1269-C1279 VanDerWaalsContact CA-SG 3.58Å; G1269-C1279 PolarHBondContact O-N 3.26Å; G1269-C1279 PolarHBondContact O-SG 3.26Å; G1269-C1279 VanDerWaalsContact O-SG 3.32Å; G1269-G1285 PolarHBondContact N-O 3.12Å; G1269-G1285 VanDerWaalsContact N-O 3.12Å; G1269-P1302 WeakPolarHBondContact CA-O 3.35Å |
| 1270 | H | 66.6 | Low | 62.8 | Low | 61 Ų | 61 | 72.8 Ų | 72.8 | 28% | 0.282 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 149.3 | 179.7 | -65.9 | -68.8 | 0 | 0 | 0 | 114.1 | K1267 P1268 C1275 D1277 N1287 | K1267-H1270 PolarHBondContact O-N 3.13Å; P1268-H1270 PolarHBondContact O-N 2.84Å; H1270-C1275 HydrophobicContact CB-CB 4.36Å; H1270-D1277 CarbonylContact C-O 3.43Å; H1270-D1277 VanDerWaalsContact CA-O 3.27Å; H1270-D1277 WeakPolarHBondContact CA-O 3.03Å; H1270-N1287 VanDerWaalsContact O-CA 3.29Å; H1270-N1287 WeakPolarHBondContact O-CA 3.41Å; H1270-N1287 PolarHBondContact O-N 3.06Å |
| 1271 | A | 62.1 | Low | 63.5 | Low | 20 Ų | 20 | 75.4 Ų | 75.4 | 17% | 0.165 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 178.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | C1275 R1276 D1277 | A1271-C1275 CarbonylContact O-C 3.58Å; A1271-C1275 WeakPolarHBondContact O-CA 3.07Å; A1271-R1276 PolarHBondContact O-N 3.48Å; A1271-D1277 PolarHBondContact N-O 3.31Å; A1271-D1277 PolarHBondContact O-N 3.14Å; A1271-D1277 VanDerWaalsContact O-N 3.09Å |
| 1272 | G | 60.7 | Low | 63.6 | Low | 29 Ų | 29 | 72.7 Ų | 72.7 | 30% | 0.299 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.9 | 160.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | A1274 C1275 | G1272-A1274 PolarHBondContact O-N 3.05Å; G1272-C1275 PolarHBondContact O-N 2.03Å |
| 1273 | L | 57.9 | Low | 64.3 | Low | 194 Ų | 194 | 76 Ų | 76 | 100% | 1.016 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -18.8 | -171.5 | -155.8 | 77.4 | 0 | 0 | 0 | 114.2 | ||
| 1274 | A | 59.4 | Low | 64.7 | Low | 72 Ų | 72 | 72.3 Ų | 72.3 | 60% | 0.595 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.6 | 17.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | G1272 R1276 | G1272-A1274 PolarHBondContact O-N 3.05Å; A1274-R1276 PolarHBondContact O-N 2.02Å |
| 1275 | C | 63.9 | Low | 64.5 | Low | 9 Ų | 9 | 70.1 Ų | 70.1 | 6% | 0.061 | 39% | 0.387 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 52.7 | 47.3 | 179.5 | -40.4 | 0 | 0 | 0 | 0 | 113.2 | N1254 C1266 H1270 A1271 G1272 | N1254-C1275 HydrophobicContact CB-CB 3.69Å; N1254-C1275 WeakPolarHBondContact CB-O 2.98Å; N1254-C1275 PolarHBondContact ND2-O 2.66Å; C1266-C1275 WeakPolarHBondContact CA-SG 3.15Å; C1266-C1275 HydrophobicContact CB-CB 3.7Å; C1266-C1275 WeakPolarHBondContact CB-SG 3.47Å; C1266-C1275 WeakPolarHBondContact SG-CB 3.44Å; C1266-C1275 CovalentContact SG-SG 2.04Å; C1266-C1275 PolarHBondContact SG-SG 3.49Å; H1270-C1275 HydrophobicContact CB-CB 4.36Å; A1271-C1275 CarbonylContact O-C 3.58Å; A1271-C1275 WeakPolarHBondContact O-CA 3.07Å; G1272-C1275 PolarHBondContact O-N 2.03Å |
| 1276 | R | 61.6 | Low | 64.5 | Low | 212 Ų | 212 | 67.3 Ų | 67.3 | 80% | 0.8 | 39% | 0.385 | S | S | * | . | trans | -114.9 | -27.5 | -168.6 | -155.3 | 179.7 | -142.5 | -171.8 | 6.8 | 114.4 | A1271 A1274 | A1271-R1276 PolarHBondContact O-N 3.48Å; A1274-R1276 PolarHBondContact O-N 2.02Å | ||
| 1277 | D | 59.1 | Low | 64.3 | Low | 103 Ų | 103 | 69.6 Ų | 69.6 | 55% | 0.551 | 40% | 0.396 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 148.2 | -177.8 | -52.6 | -53.2 | 0 | 0 | 0 | 110.2 | H1270 A1271 | H1270-D1277 CarbonylContact C-O 3.43Å; H1270-D1277 VanDerWaalsContact CA-O 3.27Å; H1270-D1277 WeakPolarHBondContact CA-O 3.03Å; A1271-D1277 PolarHBondContact N-O 3.31Å; A1271-D1277 PolarHBondContact O-N 3.14Å; A1271-D1277 VanDerWaalsContact O-N 3.09Å |
| 1278 | G | 62.4 | Low | 64.4 | Low | 58 Ų | 58 | 67 Ų | 67 | 60% | 0.598 | 39% | 0.386 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 157.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | G1269 | G1269-G1278 WeakPolarHBondContact O-CA 3.31Å |
| 1279 | C | 72.8 | Confident | 64.3 | Low | 25 Ų | 25 | 72.4 Ų | 72.4 | 17% | 0.169 | 41% | 0.405 | C | S | . | . | P | Polyproline II helix | trans | -70 | 146.6 | 177.1 | -53.6 | 0 | 0 | 0 | 0 | 113.7 | G1269 K1283 C1288 P1302 | G1269-C1279 VanDerWaalsContact C-SG 3.53Å; G1269-C1279 VanDerWaalsContact CA-SG 3.58Å; G1269-C1279 PolarHBondContact O-N 3.26Å; G1269-C1279 PolarHBondContact O-SG 3.26Å; G1269-C1279 VanDerWaalsContact O-SG 3.32Å; C1279-K1283 WeakPolarHBondContact CB-O 3.05Å; C1279-C1288 WeakPolarHBondContact CA-SG 3.35Å; C1279-C1288 HydrophobicContact CB-CB 3.69Å; C1279-C1288 WeakPolarHBondContact CB-SG 3.2Å; C1279-C1288 PolarHBondContact N-SG 2.84Å; C1279-C1288 WeakPolarHBondContact SG-CA 3.44Å; C1279-C1288 WeakPolarHBondContact SG-CB 3.07Å; C1279-C1288 CovalentContact SG-SG 2.03Å; C1279-C1288 PolarHBondContact SG-SG 3.12Å; C1279-P1302 HydrophobicContact CB-CB 4.22Å |
| 1280 | V | 72.3 | Confident | 64.6 | Low | 105 Ų | 105 | 77.7 Ų | 77.7 | 64% | 0.636 | 43% | 0.427 | S | S | * | . | P | Polyproline II helix | trans | -82.3 | 149.8 | 173.3 | -65.2 | 0 | 0 | 0 | 0 | 111.7 | G1282 K1283 | V1280-G1282 PolarHBondContact O-N 2.89Å; V1280-K1283 HydrophobicContact CG2-CB 4.46Å; V1280-K1283 PolarHBondContact O-N 2.84Å |
| 1281 | Q | 66.9 | Low | 64.5 | Low | 156 Ų | 156 | 79.9 Ų | 79.9 | 73% | 0.729 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.3 | 122.4 | -177.5 | -154.6 | 79.7 | 3 | 0 | 0 | 112 | ||
| 1282 | G | 67.5 | Low | 64.7 | Low | 25 Ų | 25 | 80 Ų | 80 | 26% | 0.258 | 44% | 0.441 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96.1 | -5.7 | -178 | 0 | 0 | 0 | 0 | 0 | 115.3 | V1280 C1292 | V1280-G1282 PolarHBondContact O-N 2.89Å; G1282-C1292 PolarHBondContact O-N 3.18Å |
| 1283 | K | 72.8 | Confident | 65.2 | Low | 89 Ų | 89 | 82.7 Ų | 82.7 | 39% | 0.387 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 150.4 | 170.1 | -67.2 | -162 | 175.9 | -165.8 | 0 | 112.8 | C1279 V1280 E1290 | C1279-K1283 WeakPolarHBondContact CB-O 3.05Å; V1280-K1283 HydrophobicContact CG2-CB 4.46Å; V1280-K1283 PolarHBondContact O-N 2.84Å; K1283-E1290 CarbonylContact C-O 3.56Å; K1283-E1290 WeakPolarHBondContact CA-O 3Å; K1283-E1290 WeakPolarHBondContact CB-O 3.26Å |
| 1284 | F | 68 | Low | 65.8 | Low | 29 Ų | 29 | 75 Ų | 75 | 13% | 0.127 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 178 | -174.5 | 73.2 | -89.1 | 0 | 0 | 0 | 113.9 | C1288 K1289 E1290 D1301 P1302 G1305 | F1284-C1288 CarbonylContact O-C 3.5Å; F1284-C1288 VanDerWaalsContact O-C 3.28Å; F1284-C1288 VanDerWaalsContact O-CA 3.31Å; F1284-C1288 WeakPolarHBondContact O-CA 3.35Å; F1284-K1289 PolarHBondContact O-N 3.01Å; F1284-E1290 HydrophobicContact CD1-CB 3.91Å; F1284-E1290 HydrophobicContact CD2-CB 4Å; F1284-E1290 HydrophobicContact CE1-CB 3.52Å; F1284-E1290 HydrophobicContact CE2-CB 3.6Å; F1284-E1290 HydrophobicContact CE2-CG 4.31Å; F1284-E1290 WeakPolarHBondContact CE2-OE2 3.5Å; F1284-E1290 HydrophobicContact CG-CB 4.14Å; F1284-E1290 HydrophobicContact CZ-CB 3.35Å; F1284-E1290 HydrophobicContact CZ-CG 4.27Å; F1284-E1290 VanDerWaalsContact CZ-OE2 3.29Å; F1284-E1290 WeakPolarHBondContact CZ-OE2 3.35Å; F1284-E1290 PolarHBondContact N-O 3.23Å; F1284-E1290 PolarHBondContact O-N 2.04Å; F1284-E1290 VanDerWaalsContact O-N 3.09Å; F1284-D1301 WeakPolarHBondContact CB-O 3.36Å; F1284-P1302 WeakPolarHBondContact CA-O 3.03Å; F1284-P1302 WeakPolarHBondContact CB-O 3.19Å; F1284-G1305 VanDerWaalsContact CG-N 3.32Å |
| 1285 | G | 61.4 | Low | 66.2 | Low | 8 Ų | 8 | 76.6 Ų | 76.6 | 8% | 0.082 | 41% | 0.412 | C | S | . | . | S | Bend | trans | 90 | -176.2 | 173 | 0 | 0 | 0 | 0 | 0 | 113.4 | G1269 N1287 C1288 P1302 E1303 | G1269-G1285 PolarHBondContact N-O 3.12Å; G1269-G1285 VanDerWaalsContact N-O 3.12Å; G1285-N1287 PolarHBondContact O-N 2.85Å; G1285-C1288 PolarHBondContact O-N 2.69Å; G1285-C1288 VanDerWaalsContact O-N 3.08Å; G1285-P1302 PolarHBondContact N-O 2.7Å; G1285-E1303 WeakPolarHBondContact CA-O 3.47Å; G1285-E1303 PolarHBondContact N-O 3.12Å |
| 1286 | S | 64 | Low | 65.7 | Low | 62 Ų | 62 | 80.5 Ų | 80.5 | 43% | 0.434 | 43% | 0.432 | S | S | . | . | G | 310 helix | trans | -70.3 | 125.4 | 177.4 | 54.7 | 0 | 0 | 0 | 0 | 110.6 | C1266 C1288 | C1266-S1286 WeakPolarHBondContact O-CB 3.26Å; S1286-C1288 PolarHBondContact O-N 3.27Å |
| 1287 | N | 61.7 | Low | 65.3 | Low | 70 Ų | 70 | 73.9 Ų | 73.9 | 37% | 0.374 | 43% | 0.43 | S | S | . | . | G | 310 helix | trans | 59.3 | 23.8 | -167.5 | -53.1 | -90.2 | 0 | 0 | 0 | 114.7 | H1270 G1285 K1289 | H1270-N1287 VanDerWaalsContact O-CA 3.29Å; H1270-N1287 WeakPolarHBondContact O-CA 3.41Å; H1270-N1287 PolarHBondContact O-N 3.06Å; G1285-N1287 PolarHBondContact O-N 2.85Å; N1287-K1289 VanDerWaalsContact C-N 3.26Å; N1287-K1289 HydrophobicContact CB-CG 4.42Å; N1287-K1289 PolarHBondContact O-N 3.38Å; N1287-K1289 VanDerWaalsContact O-N 3.14Å |
| 1288 | C | 65 | Low | 65.5 | Low | 19 Ų | 19 | 69.6 Ų | 69.6 | 13% | 0.128 | 41% | 0.409 | C | S | . | . | G | 310 helix | trans | 56.3 | 33.8 | 169.3 | -48.3 | 0 | 0 | 0 | 0 | 114.9 | C1279 F1284 G1285 S1286 | C1279-C1288 WeakPolarHBondContact CA-SG 3.35Å; C1279-C1288 HydrophobicContact CB-CB 3.69Å; C1279-C1288 WeakPolarHBondContact CB-SG 3.2Å; C1279-C1288 PolarHBondContact N-SG 2.84Å; C1279-C1288 WeakPolarHBondContact SG-CA 3.44Å; C1279-C1288 WeakPolarHBondContact SG-CB 3.07Å; C1279-C1288 CovalentContact SG-SG 2.03Å; C1279-C1288 PolarHBondContact SG-SG 3.12Å; F1284-C1288 CarbonylContact O-C 3.5Å; F1284-C1288 VanDerWaalsContact O-C 3.28Å; F1284-C1288 VanDerWaalsContact O-CA 3.31Å; F1284-C1288 WeakPolarHBondContact O-CA 3.35Å; G1285-C1288 PolarHBondContact O-N 2.69Å; G1285-C1288 VanDerWaalsContact O-N 3.08Å; S1286-C1288 PolarHBondContact O-N 3.27Å |
| 1289 | K | 64.3 | Low | 65.4 | Low | 166 Ų | 166 | 70.2 Ų | 70.2 | 72% | 0.722 | 40% | 0.402 | S | S | * | . | trans | -80.9 | -31.1 | -171.7 | -72.3 | -175.6 | 176.2 | 178.4 | 0 | 114.1 | F1284 N1287 | F1284-K1289 PolarHBondContact O-N 3.01Å; N1287-K1289 VanDerWaalsContact C-N 3.26Å; N1287-K1289 HydrophobicContact CB-CG 4.42Å; N1287-K1289 PolarHBondContact O-N 3.38Å; N1287-K1289 VanDerWaalsContact O-N 3.14Å | ||
| 1290 | E | 65.8 | Low | 65.2 | Low | 119 Ų | 119 | 69.7 Ų | 69.7 | 56% | 0.556 | 40% | 0.398 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 158.6 | -173.4 | -64.9 | -171.9 | -140.1 | 0 | 0 | 111.8 | K1283 F1284 | K1283-E1290 CarbonylContact C-O 3.56Å; K1283-E1290 WeakPolarHBondContact CA-O 3Å; K1283-E1290 WeakPolarHBondContact CB-O 3.26Å; F1284-E1290 HydrophobicContact CD1-CB 3.91Å; F1284-E1290 HydrophobicContact CD2-CB 4Å; F1284-E1290 HydrophobicContact CE1-CB 3.52Å; F1284-E1290 HydrophobicContact CE2-CB 3.6Å; F1284-E1290 HydrophobicContact CE2-CG 4.31Å; F1284-E1290 WeakPolarHBondContact CE2-OE2 3.5Å; F1284-E1290 HydrophobicContact CG-CB 4.14Å; F1284-E1290 HydrophobicContact CZ-CB 3.35Å; F1284-E1290 HydrophobicContact CZ-CG 4.27Å; F1284-E1290 VanDerWaalsContact CZ-OE2 3.29Å; F1284-E1290 WeakPolarHBondContact CZ-OE2 3.35Å; F1284-E1290 PolarHBondContact N-O 3.23Å; F1284-E1290 PolarHBondContact O-N 2.04Å; F1284-E1290 VanDerWaalsContact O-N 3.09Å |
| 1291 | N | 65.5 | Low | 64.9 | Low | 108 Ų | 108 | 66.9 Ų | 66.9 | 58% | 0.578 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 125.8 | -167 | -163.6 | 89.7 | 0 | 0 | 0 | 110.2 | ||
| 1292 | C | 65.5 | Low | 64.6 | Low | 23 Ų | 23 | 62.4 Ų | 62.4 | 16% | 0.155 | 36% | 0.364 | C | S | . | . | trans | -76.5 | 132.1 | -174.8 | -90.9 | 0 | 0 | 0 | 0 | 112.9 | G1282 C1300 G1305 | G1282-C1292 PolarHBondContact O-N 3.18Å; C1292-C1300 HydrophobicContact CB-CB 3.6Å; C1292-C1300 WeakPolarHBondContact CB-SG 3.25Å; C1292-C1300 WeakPolarHBondContact SG-CB 3.4Å; C1292-C1300 CovalentContact SG-SG 2.03Å; C1292-C1300 PolarHBondContact SG-SG 2.77Å; C1292-G1305 PolarHBondContact SG-O 2.87Å; C1292-G1305 VanDerWaalsContact SG-O 3.33Å | ||
| 1293 | S | 71.2 | Confident | 64 | Low | 85 Ų | 85 | 65.5 Ų | 65.5 | 59% | 0.594 | 37% | 0.372 | S | S | * | . | trans | -103.3 | 29.6 | 176.7 | -59.3 | 0 | 0 | 0 | 0 | 113.1 | Q1295 | S1293-Q1295 PolarHBondContact O-N 2.04Š| ||
| 1294 | C | 70.5 | Confident | 63.8 | Low | 33 Ų | 33 | 67.9 Ų | 67.9 | 22% | 0.223 | 38% | 0.382 | C | S | . | . | trans | -64 | 128.1 | -171.3 | -58.8 | 0 | 0 | 0 | 0 | 113 | A1298 C1307 | C1294-A1298 HydrophobicContact CB-CB 4.22Å; C1294-A1298 WeakPolarHBondContact CB-O 3.01Å; C1294-C1307 WeakPolarHBondContact CA-SG 3.06Å; C1294-C1307 HydrophobicContact CB-CB 3.76Å; C1294-C1307 WeakPolarHBondContact CB-SG 3.36Å; C1294-C1307 WeakPolarHBondContact SG-CA 3.36Å; C1294-C1307 WeakPolarHBondContact SG-CB 3.07Å; C1294-C1307 CovalentContact SG-SG 2.04Å; C1294-C1307 PolarHBondContact SG-SG 3.39Å | ||
| 1295 | Q | 67.9 | Low | 63.7 | Low | 104 Ų | 104 | 67.1 Ų | 67.1 | 49% | 0.486 | 38% | 0.382 | S | S | . | . | trans | -92.9 | 173.4 | 176.8 | -61 | -170.8 | -6.6 | 0 | 0 | 111.7 | S1293 G1297 A1298 L1317 | S1293-Q1295 PolarHBondContact O-N 2.04Å; Q1295-G1297 PolarHBondContact O-N 2.97Å; Q1295-A1298 WeakPolarHBondContact O-CB 3.36Å; Q1295-A1298 PolarHBondContact O-N 3.34Å; Q1295-A1298 VanDerWaalsContact O-N 3.15Å; Q1295-L1317 PolarHBondContact N-O 2.88Å | ||
| 1296 | N | 53.2 | Low | 64 | Low | 91 Ų | 91 | 73 Ų | 73 | 49% | 0.487 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.6 | 28.8 | 172.4 | -57.6 | -40.4 | 0 | 0 | 0 | 115.3 | A1298 C1318 | N1296-A1298 VanDerWaalsContact C-N 3.32Å; N1296-A1298 PolarHBondContact O-N 3.27Å; N1296-C1318 PolarHBondContact ND2-O 3.4Å; N1296-C1318 VanDerWaalsContact ND2-O 3.11Å |
| 1297 | G | 53.8 | Low | 64.3 | Low | 74 Ų | 74 | 70.3 Ų | 70.3 | 76% | 0.763 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.9 | 12.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q1295 | Q1295-G1297 PolarHBondContact O-N 2.97Š|
| 1298 | A | 62.3 | Low | 64.5 | Low | 13 Ų | 13 | 72.9 Ų | 72.9 | 11% | 0.107 | 40% | 0.397 | C | S | . | . | P | Polyproline II helix | trans | -66.6 | 140.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | C1294 Q1295 N1296 C1307 Q1308 C1318 | C1294-A1298 HydrophobicContact CB-CB 4.22Å; C1294-A1298 WeakPolarHBondContact CB-O 3.01Å; Q1295-A1298 WeakPolarHBondContact O-CB 3.36Å; Q1295-A1298 PolarHBondContact O-N 3.34Å; Q1295-A1298 VanDerWaalsContact O-N 3.15Å; N1296-A1298 VanDerWaalsContact C-N 3.32Å; N1296-A1298 PolarHBondContact O-N 3.27Å; A1298-C1307 HydrophobicContact CB-CB 4.14Å; A1298-Q1308 WeakPolarHBondContact CB-O 3.14Å; A1298-C1318 HydrophobicContact CB-CB 4.27Å; A1298-C1318 VanDerWaalsContact CB-SG 3.51Å |
| 1299 | T | 60.6 | Low | 64.8 | Low | 71 Ų | 71 | 72.1 Ų | 72.1 | 44% | 0.436 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 137 | -177 | -38.1 | 0 | 0 | 0 | 0 | 111.3 | Q1308 | T1299-Q1308 PolarHBondContact N-O 3.36Å; T1299-Q1308 PolarHBondContact O-N 2.72Å |
| 1300 | C | 68.6 | Low | 65.1 | Low | 13 Ų | 13 | 67.1 Ų | 67.1 | 9% | 0.088 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 123.8 | 178.2 | 178.3 | 0 | 0 | 0 | 0 | 111.7 | C1292 P1302 | C1292-C1300 HydrophobicContact CB-CB 3.6Å; C1292-C1300 WeakPolarHBondContact CB-SG 3.25Å; C1292-C1300 WeakPolarHBondContact SG-CB 3.4Å; C1292-C1300 CovalentContact SG-SG 2.03Å; C1292-C1300 PolarHBondContact SG-SG 2.77Å; C1300-P1302 WeakPolarHBondContact O-CD 3.34Å |
| 1301 | D | 65.4 | Low | 65.3 | Low | 47 Ų | 47 | 63.1 Ų | 63.1 | 25% | 0.251 | 37% | 0.365 | S | S | . | . | P | Polyproline II helix | trans | -66.3 | 119.3 | 169.2 | 178 | -35.2 | 0 | 0 | 0 | 110.8 | F1284 E1303 K1304 G1305 K1306 | F1284-D1301 WeakPolarHBondContact CB-O 3.36Å; D1301-E1303 VanDerWaalsContact C-N 3.31Å; D1301-E1303 PolarHBondContact O-N 2.95Å; D1301-E1303 WeakPolarHBondContact OD1-CA 3.5Å; D1301-E1303 WeakPolarHBondContact OD1-CB 3.49Å; D1301-E1303 PolarHBondContact OD1-N 3.33Å; D1301-K1304 PolarHBondContact O-N 2.89Å; D1301-K1304 PolarHBondContact OD1-N 3.31Å; D1301-G1305 WeakPolarHBondContact O-CA 3.44Å; D1301-G1305 PolarHBondContact O-N 3.13Å; D1301-K1306 HydrophobicContact CB-CB 3.97Å; D1301-K1306 VanDerWaalsContact CB-O 3.32Å; D1301-K1306 WeakPolarHBondContact CB-O 3.33Å; D1301-K1306 PolarHBondContact N-O 3.36Å |
| 1302 | P | 61.6 | Low | 65.4 | Low | 62 Ų | 62 | 58.2 Ų | 58.2 | 40% | 0.403 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -26.8 | -178.4 | -25.9 | 36.4 | 0 | 0 | 0 | 115.5 | G1269 C1279 F1284 G1285 C1300 | G1269-P1302 WeakPolarHBondContact CA-O 3.35Å; C1279-P1302 HydrophobicContact CB-CB 4.22Å; F1284-P1302 WeakPolarHBondContact CA-O 3.03Å; F1284-P1302 WeakPolarHBondContact CB-O 3.19Å; G1285-P1302 PolarHBondContact N-O 2.7Å; C1300-P1302 WeakPolarHBondContact O-CD 3.34Å |
| 1303 | E | 55.9 | Low | 66 | Low | 90 Ų | 90 | 61.5 Ų | 61.5 | 42% | 0.421 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -47.2 | 177.8 | -65.1 | -176.1 | 172.2 | 0 | 0 | 110.9 | P1268 G1285 D1301 | P1268-E1303 HydrophobicContact CB-CB 4.11Å; P1268-E1303 WeakPolarHBondContact CB-O 3.3Å; G1285-E1303 WeakPolarHBondContact CA-O 3.47Å; G1285-E1303 PolarHBondContact N-O 3.12Å; D1301-E1303 VanDerWaalsContact C-N 3.31Å; D1301-E1303 PolarHBondContact O-N 2.95Å; D1301-E1303 WeakPolarHBondContact OD1-CA 3.5Å; D1301-E1303 WeakPolarHBondContact OD1-CB 3.49Å; D1301-E1303 PolarHBondContact OD1-N 3.33Å |
| 1304 | K | 67.6 | Low | 65.8 | Low | 139 Ų | 139 | 60.7 Ų | 60.7 | 60% | 0.604 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.3 | -5.3 | -160.5 | -70.4 | 152.5 | -177.6 | 126.1 | 0 | 114.9 | D1301 K1306 | D1301-K1304 PolarHBondContact O-N 2.89Å; D1301-K1304 PolarHBondContact OD1-N 3.31Å; K1304-K1306 HydrophobicContact CB-CB 4.41Å; K1304-K1306 PolarHBondContact O-N 3.07Å |
| 1305 | G | 66.6 | Low | 65.8 | Low | 13 Ų | 13 | 60.7 Ų | 60.7 | 13% | 0.134 | 34% | 0.342 | C | S | . | . | trans | 65.9 | 7.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | F1284 C1292 D1301 C1307 | F1284-G1305 VanDerWaalsContact CG-N 3.32Å; C1292-G1305 PolarHBondContact SG-O 2.87Å; C1292-G1305 VanDerWaalsContact SG-O 3.33Å; D1301-G1305 WeakPolarHBondContact O-CA 3.44Å; D1301-G1305 PolarHBondContact O-N 3.13Å; G1305-C1307 PolarHBondContact O-N 3.17Å | ||
| 1306 | K | 66.2 | Low | 65.7 | Low | 130 Ų | 130 | 61.5 Ų | 61.5 | 57% | 0.565 | 36% | 0.355 | S | S | * | . | trans | -67.7 | 120.2 | -178.2 | -174.1 | -179.9 | 179.6 | -177 | 0 | 109.1 | D1301 K1304 Q1308 | D1301-K1306 HydrophobicContact CB-CB 3.97Å; D1301-K1306 VanDerWaalsContact CB-O 3.32Å; D1301-K1306 WeakPolarHBondContact CB-O 3.33Å; D1301-K1306 PolarHBondContact N-O 3.36Å; K1304-K1306 HydrophobicContact CB-CB 4.41Å; K1304-K1306 PolarHBondContact O-N 3.07Å; K1306-Q1308 PolarHBondContact O-N 3.26Å | ||
| 1307 | C | 71.2 | Confident | 66.4 | Low | 7 Ų | 7 | 60 Ų | 60 | 5% | 0.047 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 117.6 | 172.1 | -56 | 0 | 0 | 0 | 0 | 109.5 | C1294 A1298 G1305 C1309 C1318 | C1294-C1307 WeakPolarHBondContact CA-SG 3.06Å; C1294-C1307 HydrophobicContact CB-CB 3.76Å; C1294-C1307 WeakPolarHBondContact CB-SG 3.36Å; C1294-C1307 WeakPolarHBondContact SG-CA 3.36Å; C1294-C1307 WeakPolarHBondContact SG-CB 3.07Å; C1294-C1307 CovalentContact SG-SG 2.04Å; C1294-C1307 PolarHBondContact SG-SG 3.39Å; A1298-C1307 HydrophobicContact CB-CB 4.14Å; G1305-C1307 PolarHBondContact O-N 3.17Å; C1307-C1309 PolarHBondContact O-N 3.5Å; C1307-C1318 VanDerWaalsContact CB-SG 3.54Å |
| 1308 | Q | 65.8 | Low | 67.3 | Low | 124 Ų | 124 | 56.5 Ų | 56.5 | 58% | 0.579 | 31% | 0.31 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 95.6 | 174.7 | -174 | 168.6 | -7.2 | 0 | 0 | 108.8 | A1298 T1299 K1306 | A1298-Q1308 WeakPolarHBondContact CB-O 3.14Å; T1299-Q1308 PolarHBondContact N-O 3.36Å; T1299-Q1308 PolarHBondContact O-N 2.72Å; K1306-Q1308 PolarHBondContact O-N 3.26Å |
| 1309 | C | 71.6 | Confident | 67.7 | Low | 3 Ų | 3 | 59.7 Ų | 59.7 | 2% | 0.02 | 32% | 0.323 | C | S | . | . | P | Polyproline II helix | trans | -67.5 | 134.5 | -170.7 | -53.2 | 0 | 0 | 0 | 0 | 113.2 | C1307 Y1313 C1318 N1330 | C1307-C1309 PolarHBondContact O-N 3.5Å; C1309-Y1313 WeakPolarHBondContact CB-O 3.39Å; C1309-C1318 WeakPolarHBondContact CA-SG 3.42Å; C1309-C1318 HydrophobicContact CB-CB 3.73Å; C1309-C1318 WeakPolarHBondContact CB-SG 3.02Å; C1309-C1318 WeakPolarHBondContact SG-CA 3.3Å; C1309-C1318 WeakPolarHBondContact SG-CB 3.27Å; C1309-C1318 CovalentContact SG-SG 2.03Å; C1309-C1318 PolarHBondContact SG-SG 3.48Å; C1309-N1330 WeakPolarHBondContact CB-OD1 3.42Å; C1309-N1330 PolarHBondContact SG-OD1 3.04Å |
| 1310 | S | 70.4 | Confident | 68.2 | Low | 60 Ų | 60 | 59.5 Ų | 59.5 | 42% | 0.42 | 32% | 0.322 | S | S | . | . | P | Polyproline II helix | trans | -52.2 | 148.1 | 162.9 | -59 | 0 | 0 | 0 | 0 | 110.8 | G1312 Y1313 | S1310-G1312 PolarHBondContact O-N 3.36Å; S1310-Y1313 PolarHBondContact O-N 3.27Å |
| 1311 | A | 69.8 | Low | 68.2 | Low | 36 Ų | 36 | 62 Ų | 62 | 30% | 0.298 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | 140.7 | -175 | 0 | 0 | 0 | 0 | 0 | 112.6 | G1328 V1329 | A1311-G1328 WeakPolarHBondContact CA-O 3.41Å; A1311-V1329 HydrophobicContact CB-CG2 4.4Å |
| 1312 | G | 67.8 | Low | 68.8 | Low | 5 Ų | 5 | 60 Ų | 60 | 5% | 0.052 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 93.3 | -6.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | S1310 C1322 G1328 R1345 | S1310-G1312 PolarHBondContact O-N 3.36Å; G1312-C1322 VanDerWaalsContact CA-SG 3.56Å; G1312-C1322 PolarHBondContact O-N 3.22Å; G1312-C1322 PolarHBondContact O-SG 3.42Å; G1312-C1322 VanDerWaalsContact O-SG 3.35Å; G1312-G1328 PolarHBondContact N-O 3.11Å; G1312-R1345 VanDerWaalsContact CA-O 3.26Å; G1312-R1345 WeakPolarHBondContact CA-O 3.07Å; G1312-R1345 PolarHBondContact N-O 3.22Å |
| 1313 | Y | 77.6 | Confident | 69.4 | Low | 91 Ų | 91 | 59.7 Ų | 59.7 | 36% | 0.357 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 150.9 | 179.5 | -62.1 | -94.7 | 0 | 0 | 0 | 112.5 | C1309 S1310 N1330 | C1309-Y1313 WeakPolarHBondContact CB-O 3.39Å; S1310-Y1313 PolarHBondContact O-N 3.27Å; Y1313-N1330 WeakPolarHBondContact O-CA 3.32Å |
| 1314 | M | 68.1 | Low | 70.2 | Confident | 68 Ų | 68 | 61.1 Ų | 61.1 | 34% | 0.335 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | -166.4 | 172.6 | 61.1 | 174.9 | -73.1 | 0 | 0 | 109.3 | C1318 E1319 V1320 P1323 C1331 | M1314-C1318 CarbonylContact O-C 3.58Å; M1314-C1318 WeakPolarHBondContact O-CA 3.17Å; M1314-E1319 PolarHBondContact O-N 2.04Å; M1314-V1320 CarbonylContact C-O 3.55Å; M1314-V1320 HydrophobicContact CG-CB 4.17Å; M1314-V1320 HydrophobicContact CG-CG1 4.3Å; M1314-V1320 WeakPolarHBondContact CG-O 3.47Å; M1314-V1320 PolarHBondContact N-O 2.04Å; M1314-V1320 PolarHBondContact O-N 3.28Å; M1314-V1320 VanDerWaalsContact O-O 3.11Å; M1314-P1323 WeakPolarHBondContact SD-CD 3.48Å; M1314-P1323 HydrophobicContact SD-CG 4.29Å; M1314-C1331 HydrophobicContact SD-CB 4.13Å |
| 1315 | G | 69.2 | Low | 70.3 | Confident | 33 Ų | 33 | 58.6 Ų | 58.6 | 34% | 0.34 | 34% | 0.336 | S | S | . | . | S | Bend | trans | 87.7 | 163.8 | -168 | 0 | 0 | 0 | 0 | 0 | 111.5 | L1317 C1318 | G1315-L1317 VanDerWaalsContact C-N 3.33Å; G1315-L1317 PolarHBondContact O-N 3.02Å; G1315-C1318 PolarHBondContact O-N 3.13Å |
| 1316 | T | 66.9 | Low | 71 | Confident | 121 Ų | 121 | 62.1 Ų | 62.1 | 74% | 0.742 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -27.2 | -171.6 | 36.6 | 0 | 0 | 0 | 0 | 113.9 | E1319 | T1316-E1319 PolarHBondContact N-OE1 3.19Š|
| 1317 | L | 68 | Low | 71.5 | Confident | 59 Ų | 59 | 59.1 Ų | 59.1 | 31% | 0.309 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.8 | 11 | 176.9 | -56.8 | 171 | 0 | 0 | 0 | 112.2 | Q1295 G1315 E1319 | Q1295-L1317 PolarHBondContact N-O 2.88Å; G1315-L1317 VanDerWaalsContact C-N 3.33Å; G1315-L1317 PolarHBondContact O-N 3.02Å; L1317-E1319 WeakPolarHBondContact CB-OE2 3.42Å; L1317-E1319 PolarHBondContact N-OE1 3.45Å |
| 1318 | C | 72.2 | Confident | 71.5 | Confident | 1 Ų | 1 | 59.1 Ų | 59.1 | 1% | 0.007 | 33% | 0.332 | C | S | . | . | S | Bend | trans | 64.9 | 33.7 | -172.2 | -51 | 0 | 0 | 0 | 0 | 114.2 | N1296 A1298 C1307 C1309 M1314 G1315 | N1296-C1318 PolarHBondContact ND2-O 3.4Å; N1296-C1318 VanDerWaalsContact ND2-O 3.11Å; A1298-C1318 HydrophobicContact CB-CB 4.27Å; A1298-C1318 VanDerWaalsContact CB-SG 3.51Å; C1307-C1318 VanDerWaalsContact CB-SG 3.54Å; C1309-C1318 WeakPolarHBondContact CA-SG 3.42Å; C1309-C1318 HydrophobicContact CB-CB 3.73Å; C1309-C1318 WeakPolarHBondContact CB-SG 3.02Å; C1309-C1318 WeakPolarHBondContact SG-CA 3.3Å; C1309-C1318 WeakPolarHBondContact SG-CB 3.27Å; C1309-C1318 CovalentContact SG-SG 2.03Å; C1309-C1318 PolarHBondContact SG-SG 3.48Å; M1314-C1318 CarbonylContact O-C 3.58Å; M1314-C1318 WeakPolarHBondContact O-CA 3.17Å; G1315-C1318 PolarHBondContact O-N 3.13Å |
| 1319 | E | 70.7 | Confident | 71.8 | Confident | 80 Ų | 80 | 56.4 Ų | 56.4 | 37% | 0.374 | 32% | 0.323 | S | S | . | . | trans | -90 | -21.5 | -179.1 | 68.1 | -89.2 | 81.3 | 0 | 0 | 114.6 | M1314 T1316 L1317 | M1314-E1319 PolarHBondContact O-N 2.04Å; T1316-E1319 PolarHBondContact N-OE1 3.19Å; L1317-E1319 WeakPolarHBondContact CB-OE2 3.42Å; L1317-E1319 PolarHBondContact N-OE1 3.45Å | ||
| 1320 | V | 71.3 | Confident | 71.6 | Confident | 67 Ų | 67 | 58.7 Ų | 58.7 | 41% | 0.406 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 121.7 | -172 | -173.8 | 0 | 0 | 0 | 0 | 110.8 | M1314 | M1314-V1320 CarbonylContact C-O 3.55Å; M1314-V1320 HydrophobicContact CG-CB 4.17Å; M1314-V1320 HydrophobicContact CG-CG1 4.3Å; M1314-V1320 WeakPolarHBondContact CG-O 3.47Å; M1314-V1320 PolarHBondContact N-O 2.04Å; M1314-V1320 PolarHBondContact O-N 3.28Å; M1314-V1320 VanDerWaalsContact O-O 3.11Å |
| 1321 | P | 68.6 | Low | 71.9 | Confident | 65 Ų | 65 | 56 Ų | 56 | 42% | 0.422 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 149.4 | 173.5 | -17.9 | 31.5 | 0 | 0 | 0 | 112 | R1345 | P1321-R1345 VanDerWaalsContact CB-NH1 3.31Å |
| 1322 | C | 78.2 | Confident | 72.1 | Confident | 6 Ų | 6 | 59.1 Ų | 59.1 | 4% | 0.041 | 33% | 0.332 | C | S | . | . | P | Polyproline II helix | trans | -53.7 | 138.5 | -179.9 | -64 | 0 | 0 | 0 | 0 | 113.4 | G1312 R1326 C1331 R1345 | G1312-C1322 VanDerWaalsContact CA-SG 3.56Å; G1312-C1322 PolarHBondContact O-N 3.22Å; G1312-C1322 PolarHBondContact O-SG 3.42Å; G1312-C1322 VanDerWaalsContact O-SG 3.35Å; C1322-R1326 WeakPolarHBondContact CB-O 3.04Å; C1322-C1331 WeakPolarHBondContact CA-SG 3.49Å; C1322-C1331 HydrophobicContact CB-CB 3.77Å; C1322-C1331 WeakPolarHBondContact CB-SG 3.18Å; C1322-C1331 WeakPolarHBondContact SG-CB 3.47Å; C1322-C1331 CovalentContact SG-SG 2.02Å; C1322-C1331 PolarHBondContact SG-SG 3.4Å; C1322-R1345 HydrophobicContact CB-CB 4.08Å; C1322-R1345 HydrophobicContact CB-CG 3.93Å; C1322-R1345 VanDerWaalsContact O-CD 3.25Å; C1322-R1345 WeakPolarHBondContact O-CD 3.24Å |
| 1323 | P | 74.1 | Confident | 72.3 | Confident | 55 Ų | 55 | 62.4 Ų | 62.4 | 36% | 0.357 | 35% | 0.348 | S | S | . | . | P | Polyproline II helix | trans | -67.7 | 166.5 | 174.3 | 30.1 | -36.5 | 0 | 0 | 0 | 111.6 | M1314 N1325 R1326 | M1314-P1323 WeakPolarHBondContact SD-CD 3.48Å; M1314-P1323 HydrophobicContact SD-CG 4.29Å; P1323-N1325 PolarHBondContact O-N 2.04Å; P1323-R1326 HydrophobicContact CG-CB 4.47Å; P1323-R1326 PolarHBondContact O-N 2.82Å |
| 1324 | P | 72.9 | Confident | 72 | Confident | 121 Ų | 121 | 63.4 Ų | 63.4 | 79% | 0.786 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.8 | 139.2 | 178.2 | -27.9 | 36 | 0 | 0 | 0 | 113.2 | R1326 | P1324-R1326 VanDerWaalsContact C-N 3.29Å; P1324-R1326 PolarHBondContact O-N 3.32Å |
| 1325 | N | 69.5 | Low | 72.1 | Confident | 86 Ų | 86 | 60.8 Ų | 60.8 | 46% | 0.46 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.8 | 17.5 | 178.6 | -54.2 | -12.2 | 0 | 0 | 0 | 116.5 | P1323 C1335 | P1323-N1325 PolarHBondContact O-N 2.04Å; N1325-C1335 PolarHBondContact O-N 3.24Å; N1325-C1335 PolarHBondContact O-SG 3.34Å |
| 1326 | R | 80.3 | Confident | 72.4 | Confident | 86 Ų | 86 | 65.5 Ų | 65.5 | 33% | 0.325 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 149.6 | 169.8 | -69.6 | -170.6 | -179.6 | -73.7 | -13.1 | 113.4 | C1322 P1323 P1324 C1331 V1332 D1333 E1334 | C1322-R1326 WeakPolarHBondContact CB-O 3.04Å; P1323-R1326 HydrophobicContact CG-CB 4.47Å; P1323-R1326 PolarHBondContact O-N 2.82Å; P1324-R1326 VanDerWaalsContact C-N 3.29Å; P1324-R1326 PolarHBondContact O-N 3.32Å; R1326-C1331 HydrophobicContact CB-CB 4.16Å; R1326-C1331 WeakPolarHBondContact CB-O 3.23Å; R1326-C1331 WeakPolarHBondContact CD-O 3.49Å; R1326-V1332 PolarHBondContact NH1-O 2.94Å; R1326-D1333 CarbonylContact C-O 3.44Å; R1326-D1333 VanDerWaalsContact CA-O 3.28Å; R1326-D1333 WeakPolarHBondContact CA-O 3.35Å; R1326-E1334 IonicContact CZ-OE2 3.98Å; R1326-E1334 VanDerWaalsContact CZ-OE2 3.32Å; R1326-E1334 IonicContact NH1-OE2 3.24Å; R1326-E1334 PolarHBondContact NH1-OE2 2.71Å; R1326-E1334 IonicContact NH2-OE1 2.69Å; R1326-E1334 IonicContact NH2-OE2 2.84Å; R1326-E1334 PolarHBondContact NH2-OE2 3.27Å |
| 1327 | Y | 77.6 | Confident | 72.8 | Confident | 68 Ų | 68 | 61 Ų | 61 | 27% | 0.267 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 176.9 | -176.7 | 80 | -83.1 | 0 | 0 | 0 | 113.8 | C1331 V1332 D1333 C1335 S1344 R1345 G1348 | Y1327-C1331 CarbonylContact O-C 3.39Å; Y1327-C1331 VanDerWaalsContact O-C 3.24Å; Y1327-C1331 WeakPolarHBondContact O-CA 3.2Å; Y1327-V1332 PolarHBondContact O-N 3.19Å; Y1327-D1333 HydrophobicContact CD1-CB 3.51Å; Y1327-D1333 WeakPolarHBondContact CD1-O 3.06Å; Y1327-D1333 HydrophobicContact CD2-CB 4.14Å; Y1327-D1333 HydrophobicContact CE1-CB 3.22Å; Y1327-D1333 HydrophobicContact CE2-CB 3.86Å; Y1327-D1333 HydrophobicContact CG-CB 4Å; Y1327-D1333 VanDerWaalsContact CZ-CB 3.41Å; Y1327-D1333 PolarHBondContact N-O 2.83Å; Y1327-D1333 PolarHBondContact O-N 3.29Å; Y1327-D1333 VanDerWaalsContact O-N 3.15Å; Y1327-C1335 WeakPolarHBondContact CD1-SG 3.32Å; Y1327-S1344 WeakPolarHBondContact CB-O 3.38Å; Y1327-R1345 VanDerWaalsContact CA-O 3.25Å; Y1327-R1345 WeakPolarHBondContact CA-O 3.46Å; Y1327-R1345 WeakPolarHBondContact CB-O 3.48Å; Y1327-G1348 VanDerWaalsContact CD1-CA 3.48Å; Y1327-G1348 VanDerWaalsContact CE2-CA 3.4Å |
| 1328 | G | 71 | Confident | 72.9 | Confident | 7 Ų | 7 | 62.8 Ų | 62.8 | 7% | 0.072 | 34% | 0.337 | C | S | . | . | S | Bend | trans | 88.9 | -166.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113 | A1311 G1312 N1330 C1331 R1345 | A1311-G1328 WeakPolarHBondContact CA-O 3.41Å; G1312-G1328 PolarHBondContact N-O 3.11Å; G1328-N1330 PolarHBondContact O-N 3.33Å; G1328-C1331 PolarHBondContact O-N 2.89Å; G1328-R1345 PolarHBondContact N-O 2.99Å; G1328-R1345 VanDerWaalsContact N-O 3.14Å |
| 1329 | V | 71.7 | Confident | 72.5 | Confident | 66 Ų | 66 | 66.5 Ų | 66.5 | 40% | 0.4 | 36% | 0.357 | S | S | . | . | G | 310 helix | trans | -66.7 | 124.2 | 176.2 | 167.1 | 0 | 0 | 0 | 0 | 108.9 | A1311 C1331 V1332 | A1311-V1329 HydrophobicContact CB-CG2 4.4Å; V1329-C1331 PolarHBondContact O-N 3.3Å; V1329-C1331 VanDerWaalsContact O-N 3.13Å; V1329-V1332 WeakPolarHBondContact O-CG2 3.4Å |
| 1330 | N | 68.3 | Low | 72.1 | Confident | 51 Ų | 51 | 65.5 Ų | 65.5 | 27% | 0.273 | 37% | 0.368 | S | S | . | . | G | 310 helix | trans | 54.6 | 22.2 | -174 | -54.1 | -57.2 | 0 | 0 | 0 | 115.1 | C1309 Y1313 G1328 V1332 | C1309-N1330 WeakPolarHBondContact CB-OD1 3.42Å; C1309-N1330 PolarHBondContact SG-OD1 3.04Å; Y1313-N1330 WeakPolarHBondContact O-CA 3.32Å; G1328-N1330 PolarHBondContact O-N 3.33Å; N1330-V1332 VanDerWaalsContact C-N 3.28Å; N1330-V1332 HydrophobicContact CB-CG2 4.37Å; N1330-V1332 PolarHBondContact O-N 3.32Å |
| 1331 | C | 75.2 | Confident | 72 | Confident | 5 Ų | 5 | 62.6 Ų | 62.6 | 3% | 0.034 | 35% | 0.351 | C | S | . | . | G | 310 helix | trans | 59.8 | 30.8 | 176.8 | -42.9 | 0 | 0 | 0 | 0 | 114.6 | M1314 C1322 R1326 Y1327 G1328 V1329 | M1314-C1331 HydrophobicContact SD-CB 4.13Å; C1322-C1331 WeakPolarHBondContact CA-SG 3.49Å; C1322-C1331 HydrophobicContact CB-CB 3.77Å; C1322-C1331 WeakPolarHBondContact CB-SG 3.18Å; C1322-C1331 WeakPolarHBondContact SG-CB 3.47Å; C1322-C1331 CovalentContact SG-SG 2.02Å; C1322-C1331 PolarHBondContact SG-SG 3.4Å; R1326-C1331 HydrophobicContact CB-CB 4.16Å; R1326-C1331 WeakPolarHBondContact CB-O 3.23Å; R1326-C1331 WeakPolarHBondContact CD-O 3.49Å; Y1327-C1331 CarbonylContact O-C 3.39Å; Y1327-C1331 VanDerWaalsContact O-C 3.24Å; Y1327-C1331 WeakPolarHBondContact O-CA 3.2Å; G1328-C1331 PolarHBondContact O-N 2.89Å; V1329-C1331 PolarHBondContact O-N 3.3Å; V1329-C1331 VanDerWaalsContact O-N 3.13Å |
| 1332 | V | 74.9 | Confident | 72 | Confident | 101 Ų | 101 | 63.4 Ų | 63.4 | 61% | 0.612 | 36% | 0.355 | S | S | * | . | trans | -68.6 | -42.4 | -175.7 | 174.8 | 0 | 0 | 0 | 0 | 111.9 | R1326 Y1327 V1329 N1330 | R1326-V1332 PolarHBondContact NH1-O 2.94Å; Y1327-V1332 PolarHBondContact O-N 3.19Å; V1329-V1332 WeakPolarHBondContact O-CG2 3.4Å; N1330-V1332 VanDerWaalsContact C-N 3.28Å; N1330-V1332 HydrophobicContact CB-CG2 4.37Å; N1330-V1332 PolarHBondContact O-N 3.32Å | ||
| 1333 | D | 72.3 | Confident | 71.9 | Confident | 73 Ų | 73 | 64.1 Ų | 64.1 | 39% | 0.39 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 141.3 | -169.6 | -57.5 | -67.7 | 0 | 0 | 0 | 112.4 | R1326 Y1327 | R1326-D1333 CarbonylContact C-O 3.44Å; R1326-D1333 VanDerWaalsContact CA-O 3.28Å; R1326-D1333 WeakPolarHBondContact CA-O 3.35Å; Y1327-D1333 HydrophobicContact CD1-CB 3.51Å; Y1327-D1333 WeakPolarHBondContact CD1-O 3.06Å; Y1327-D1333 HydrophobicContact CD2-CB 4.14Å; Y1327-D1333 HydrophobicContact CE1-CB 3.22Å; Y1327-D1333 HydrophobicContact CE2-CB 3.86Å; Y1327-D1333 HydrophobicContact CG-CB 4Å; Y1327-D1333 VanDerWaalsContact CZ-CB 3.41Å; Y1327-D1333 PolarHBondContact N-O 2.83Å; Y1327-D1333 PolarHBondContact O-N 3.29Å; Y1327-D1333 VanDerWaalsContact O-N 3.15Å |
| 1334 | E | 70.3 | Confident | 71.7 | Confident | 112 Ų | 112 | 62.8 Ų | 62.8 | 52% | 0.523 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 119.9 | -169.3 | -171.1 | 161.9 | 179.3 | 0 | 0 | 113.1 | R1326 H1336 | R1326-E1334 IonicContact CZ-OE2 3.98Å; R1326-E1334 VanDerWaalsContact CZ-OE2 3.32Å; R1326-E1334 IonicContact NH1-OE2 3.24Å; R1326-E1334 PolarHBondContact NH1-OE2 2.71Å; R1326-E1334 IonicContact NH2-OE1 2.69Å; R1326-E1334 IonicContact NH2-OE2 2.84Å; R1326-E1334 PolarHBondContact NH2-OE2 3.27Å; E1334-H1336 PolarHBondContact O-N 3.39Å; E1334-H1336 PolarHBondContact O-ND1 3.4Å; E1334-H1336 VanDerWaalsContact O-ND1 3.13Å |
| 1335 | C | 70.8 | Confident | 71.6 | Confident | 13 Ų | 13 | 63.4 Ų | 63.4 | 9% | 0.088 | 34% | 0.338 | C | S | . | . | trans | -83.7 | 109.5 | -169.4 | -42.7 | 0 | 0 | 0 | 0 | 112.5 | N1325 Y1327 C1337 C1343 | N1325-C1335 PolarHBondContact O-N 3.24Å; N1325-C1335 PolarHBondContact O-SG 3.34Å; Y1327-C1335 WeakPolarHBondContact CD1-SG 3.32Å; C1335-C1337 PolarHBondContact O-N 3.3Å; C1335-C1343 HydrophobicContact CB-CB 3.49Å; C1335-C1343 VanDerWaalsContact CB-CB 3.49Å; C1335-C1343 WeakPolarHBondContact CB-SG 3.47Å; C1335-C1343 WeakPolarHBondContact SG-CB 3.43Å; C1335-C1343 CovalentContact SG-SG 2.02Å; C1335-C1343 PolarHBondContact SG-SG 3.34Å | ||
| 1336 | H | 75.3 | Confident | 71.4 | Confident | 133 Ų | 133 | 63 Ų | 63 | 62% | 0.616 | 34% | 0.339 | S | S | * | . | trans | -81.9 | 57.9 | 173.8 | -70.6 | 65.8 | 0 | 0 | 0 | 111.6 | E1334 Q1360 | E1334-H1336 PolarHBondContact O-N 3.39Å; E1334-H1336 PolarHBondContact O-ND1 3.4Å; E1334-H1336 VanDerWaalsContact O-ND1 3.13Å; H1336-Q1360 WeakPolarHBondContact O-CG 3.42Å | ||
| 1337 | C | 75.3 | Confident | 71.2 | Confident | 27 Ų | 27 | 63 Ų | 63 | 18% | 0.182 | 35% | 0.349 | C | S | . | . | trans | -82.3 | 127.3 | 178.7 | -57 | 0 | 0 | 0 | 0 | 111.1 | C1335 A1341 C1350 | C1335-C1337 PolarHBondContact O-N 3.3Å; C1337-A1341 HydrophobicContact CB-CB 4.12Å; C1337-C1350 WeakPolarHBondContact CA-SG 3.06Å; C1337-C1350 HydrophobicContact CB-CB 3.88Å; C1337-C1350 WeakPolarHBondContact CB-SG 3.46Å; C1337-C1350 WeakPolarHBondContact SG-CB 3.31Å; C1337-C1350 CovalentContact SG-SG 2.04Å; C1337-C1350 PolarHBondContact SG-SG 2.88Å | ||
| 1338 | Q | 70.5 | Confident | 70.8 | Confident | 96 Ų | 96 | 60.4 Ų | 60.4 | 45% | 0.449 | 34% | 0.343 | S | S | . | . | trans | -91.7 | 172.2 | 177.1 | -61.5 | -172.9 | -7.6 | 0 | 0 | 111.5 | G1340 A1341 Q1360 Q1362 | Q1338-G1340 PolarHBondContact O-N 3.28Å; Q1338-A1341 WeakPolarHBondContact O-CB 3.3Å; Q1338-A1341 PolarHBondContact O-N 3.03Å; Q1338-Q1360 WeakPolarHBondContact CB-O 3.3Å; Q1338-Q1360 PolarHBondContact N-O 3.38Å; Q1338-Q1362 VanDerWaalsContact OE1-CB 3.26Å | ||
| 1339 | N | 63.5 | Low | 70.8 | Confident | 79 Ų | 79 | 66.8 Ų | 66.8 | 42% | 0.422 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.8 | 29.3 | 170.7 | -57.9 | -42.1 | 0 | 0 | 0 | 115.8 | A1341 Y1356 C1361 | N1339-A1341 VanDerWaalsContact C-N 3.3Å; N1339-A1341 PolarHBondContact O-N 2.87Å; N1339-Y1356 HydrophobicContact CB-CD1 3.86Å; N1339-Y1356 HydrophobicContact CB-CD2 4.42Å; N1339-Y1356 HydrophobicContact CB-CE1 3.75Å; N1339-Y1356 HydrophobicContact CB-CE2 4.33Å; N1339-Y1356 HydrophobicContact CB-CG 4.2Å; N1339-C1361 PolarHBondContact ND2-O 2.98Å |
| 1340 | G | 63.3 | Low | 71.1 | Confident | 58 Ų | 58 | 64.4 Ų | 64.4 | 60% | 0.598 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.5 | 16.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q1338 Q1353 | Q1338-G1340 PolarHBondContact O-N 3.28Å; G1340-Q1353 WeakPolarHBondContact O-CG 3.4Å; G1340-Q1353 PolarHBondContact O-NE2 2.93Å |
| 1341 | A | 69.3 | Low | 71 | Confident | 7 Ų | 7 | 68.1 Ų | 68.1 | 6% | 0.058 | 37% | 0.374 | C | S | . | . | P | Polyproline II helix | trans | -66 | 141.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | C1337 Q1338 N1339 C1350 M1351 C1361 | C1337-A1341 HydrophobicContact CB-CB 4.12Å; Q1338-A1341 WeakPolarHBondContact O-CB 3.3Å; Q1338-A1341 PolarHBondContact O-N 3.03Å; N1339-A1341 VanDerWaalsContact C-N 3.3Å; N1339-A1341 PolarHBondContact O-N 2.87Å; A1341-C1350 HydrophobicContact CB-CB 4.4Å; A1341-M1351 WeakPolarHBondContact CA-O 3.2Å; A1341-M1351 WeakPolarHBondContact CB-O 3.4Å; A1341-C1361 HydrophobicContact CB-CB 3.75Å; A1341-C1361 WeakPolarHBondContact CB-SG 3.2Å |
| 1342 | T | 67.3 | Low | 71 | Confident | 82 Ų | 82 | 68.8 Ų | 68.8 | 50% | 0.503 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 145 | -179.1 | 49.5 | 0 | 0 | 0 | 0 | 111 | M1351 | T1342-M1351 PolarHBondContact N-O 3.26Å; T1342-M1351 WeakPolarHBondContact O-CA 3.49Å; T1342-M1351 WeakPolarHBondContact O-CB 3.36Å; T1342-M1351 PolarHBondContact O-N 3.48Å |
| 1343 | C | 76.2 | Confident | 71 | Confident | 20 Ų | 20 | 67.9 Ų | 67.9 | 14% | 0.135 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 137.2 | -174.9 | -164.2 | 0 | 0 | 0 | 0 | 113.4 | C1335 R1345 G1348 | C1335-C1343 HydrophobicContact CB-CB 3.49Å; C1335-C1343 VanDerWaalsContact CB-CB 3.49Å; C1335-C1343 WeakPolarHBondContact CB-SG 3.47Å; C1335-C1343 WeakPolarHBondContact SG-CB 3.43Å; C1335-C1343 CovalentContact SG-SG 2.02Å; C1335-C1343 PolarHBondContact SG-SG 3.34Å; C1343-R1345 PolarHBondContact O-N 3.08Å; C1343-G1348 PolarHBondContact SG-O 2.8Å |
| 1344 | S | 70.3 | Confident | 71.3 | Confident | 28 Ų | 28 | 66.8 Ų | 66.8 | 20% | 0.196 | 37% | 0.365 | C | S | . | . | trans | -65 | 111 | 166.8 | 176.1 | 0 | 0 | 0 | 0 | 110.5 | Y1327 T1346 T1347 G1348 Q1349 | Y1327-S1344 WeakPolarHBondContact CB-O 3.38Å; S1344-T1346 PolarHBondContact O-N 3.08Å; S1344-T1346 VanDerWaalsContact O-N 3.17Å; S1344-T1346 PolarHBondContact OG-OG1 3.34Å; S1344-T1347 VanDerWaalsContact CB-OG1 3.28Å; S1344-T1347 WeakPolarHBondContact CB-OG1 3.5Å; S1344-T1347 PolarHBondContact O-N 3.06Å; S1344-T1347 PolarHBondContact OG-N 3.01Å; S1344-T1347 PolarHBondContact OG-OG1 3.04Å; S1344-G1348 WeakPolarHBondContact O-CA 3.05Å; S1344-G1348 PolarHBondContact O-N 3.14Å; S1344-Q1349 VanDerWaalsContact CB-O 3.27Å; S1344-Q1349 WeakPolarHBondContact CB-O 3.23Å; S1344-Q1349 PolarHBondContact N-O 3.39Å | ||
| 1345 | R | 71.5 | Confident | 71.4 | Confident | 133 Ų | 133 | 61.5 Ų | 61.5 | 50% | 0.502 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -26.6 | -177.2 | -68.6 | 176.2 | -77.1 | 176.3 | -2 | 113.6 | G1312 P1321 C1322 Y1327 G1328 C1343 | G1312-R1345 VanDerWaalsContact CA-O 3.26Å; G1312-R1345 WeakPolarHBondContact CA-O 3.07Å; G1312-R1345 PolarHBondContact N-O 3.22Å; P1321-R1345 VanDerWaalsContact CB-NH1 3.31Å; C1322-R1345 HydrophobicContact CB-CB 4.08Å; C1322-R1345 HydrophobicContact CB-CG 3.93Å; C1322-R1345 VanDerWaalsContact O-CD 3.25Å; C1322-R1345 WeakPolarHBondContact O-CD 3.24Å; Y1327-R1345 VanDerWaalsContact CA-O 3.25Å; Y1327-R1345 WeakPolarHBondContact CA-O 3.46Å; Y1327-R1345 WeakPolarHBondContact CB-O 3.48Å; G1328-R1345 PolarHBondContact N-O 2.99Å; G1328-R1345 VanDerWaalsContact N-O 3.14Å; C1343-R1345 PolarHBondContact O-N 3.08Å |
| 1346 | T | 65.3 | Low | 71.9 | Confident | 78 Ų | 78 | 64.4 Ų | 64.4 | 48% | 0.479 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | -38.3 | 178.5 | 47.6 | 0 | 0 | 0 | 0 | 113.3 | S1344 | S1344-T1346 PolarHBondContact O-N 3.08Å; S1344-T1346 VanDerWaalsContact O-N 3.17Å; S1344-T1346 PolarHBondContact OG-OG1 3.34Å |
| 1347 | T | 74.4 | Confident | 72.1 | Confident | 85 Ų | 85 | 60 Ų | 60 | 52% | 0.521 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.9 | -6.2 | -167.5 | 60.5 | 0 | 0 | 0 | 0 | 115.8 | S1344 Q1349 | S1344-T1347 VanDerWaalsContact CB-OG1 3.28Å; S1344-T1347 WeakPolarHBondContact CB-OG1 3.5Å; S1344-T1347 PolarHBondContact O-N 3.06Å; S1344-T1347 PolarHBondContact OG-N 3.01Å; S1344-T1347 PolarHBondContact OG-OG1 3.04Å; T1347-Q1349 PolarHBondContact O-N 3.44Å |
| 1348 | G | 70.6 | Confident | 72.1 | Confident | 14 Ų | 14 | 60 Ų | 60 | 14% | 0.144 | 34% | 0.337 | C | S | . | . | trans | 73.5 | -7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y1327 C1343 S1344 C1350 | Y1327-G1348 VanDerWaalsContact CD1-CA 3.48Å; Y1327-G1348 VanDerWaalsContact CE2-CA 3.4Å; C1343-G1348 PolarHBondContact SG-O 2.8Å; S1344-G1348 WeakPolarHBondContact O-CA 3.05Å; S1344-G1348 PolarHBondContact O-N 3.14Å; G1348-C1350 PolarHBondContact O-N 3.06Å | ||
| 1349 | Q | 71.4 | Confident | 72.2 | Confident | 142 Ų | 142 | 62.8 Ų | 62.8 | 66% | 0.664 | 35% | 0.353 | S | S | * | . | trans | -63.5 | 122.3 | 177.5 | -170.9 | 173.2 | 4.6 | 0 | 0 | 110.1 | S1344 T1347 M1351 | S1344-Q1349 VanDerWaalsContact CB-O 3.27Å; S1344-Q1349 WeakPolarHBondContact CB-O 3.23Å; S1344-Q1349 PolarHBondContact N-O 3.39Å; T1347-Q1349 PolarHBondContact O-N 3.44Å; Q1349-M1351 PolarHBondContact O-N 2.79Å | ||
| 1350 | C | 77.6 | Confident | 72.7 | Confident | 15 Ų | 15 | 63 Ų | 63 | 10% | 0.101 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 116.7 | 173.2 | -61.5 | 0 | 0 | 0 | 0 | 109.6 | C1337 A1341 G1348 C1352 C1361 | C1337-C1350 WeakPolarHBondContact CA-SG 3.06Å; C1337-C1350 HydrophobicContact CB-CB 3.88Å; C1337-C1350 WeakPolarHBondContact CB-SG 3.46Å; C1337-C1350 WeakPolarHBondContact SG-CB 3.31Å; C1337-C1350 CovalentContact SG-SG 2.04Å; C1337-C1350 PolarHBondContact SG-SG 2.88Å; A1341-C1350 HydrophobicContact CB-CB 4.4Å; G1348-C1350 PolarHBondContact O-N 3.06Å; C1350-C1352 PolarHBondContact O-N 3.12Å; C1350-C1352 VanDerWaalsContact O-N 3.16Å; C1350-C1361 VanDerWaalsContact CB-SG 3.52Å |
| 1351 | M | 65.9 | Low | 73.4 | Confident | 129 Ų | 129 | 60.2 Ų | 60.2 | 64% | 0.635 | 32% | 0.323 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 97.5 | 166.9 | -66.2 | -155 | 72.2 | 0 | 0 | 108.6 | A1341 T1342 Q1349 Q1353 | A1341-M1351 WeakPolarHBondContact CA-O 3.2Å; A1341-M1351 WeakPolarHBondContact CB-O 3.4Å; T1342-M1351 PolarHBondContact N-O 3.26Å; T1342-M1351 WeakPolarHBondContact O-CA 3.49Å; T1342-M1351 WeakPolarHBondContact O-CB 3.36Å; T1342-M1351 PolarHBondContact O-N 3.48Å; Q1349-M1351 PolarHBondContact O-N 2.79Å; M1351-Q1353 PolarHBondContact O-N 2.03Å |
| 1352 | C | 75.4 | Confident | 73.6 | Confident | 19 Ų | 19 | 63.3 Ų | 63.3 | 13% | 0.128 | 34% | 0.337 | C | S | . | . | P | Polyproline II helix | trans | -63 | 133.1 | 179.8 | -55 | 0 | 0 | 0 | 0 | 111.4 | C1350 Y1356 C1361 | C1350-C1352 PolarHBondContact O-N 3.12Å; C1350-C1352 VanDerWaalsContact O-N 3.16Å; C1352-Y1356 VanDerWaalsContact CB-O 3.24Å; C1352-Y1356 WeakPolarHBondContact CB-O 3.45Å; C1352-C1361 WeakPolarHBondContact CA-SG 3.46Å; C1352-C1361 HydrophobicContact CB-CB 3.76Å; C1352-C1361 WeakPolarHBondContact CB-SG 3.14Å; C1352-C1361 PolarHBondContact N-SG 3.45Å; C1352-C1361 VanDerWaalsContact SG-CA 3.5Å; C1352-C1361 WeakPolarHBondContact SG-CB 3.01Å; C1352-C1361 CovalentContact SG-SG 2.04Å; C1352-C1361 PolarHBondContact SG-SG 3.04Å |
| 1353 | Q | 74.5 | Confident | 74.1 | Confident | 83 Ų | 83 | 63.5 Ų | 63.5 | 39% | 0.388 | 34% | 0.335 | S | S | . | . | P | Polyproline II helix | trans | -56.6 | 149.9 | 166.4 | -60.6 | -63.3 | -11.9 | 0 | 0 | 109.4 | G1340 M1351 G1355 Y1356 | G1340-Q1353 WeakPolarHBondContact O-CG 3.4Å; G1340-Q1353 PolarHBondContact O-NE2 2.93Å; M1351-Q1353 PolarHBondContact O-N 2.03Å; Q1353-G1355 PolarHBondContact O-N 3.33Å; Q1353-Y1356 HydrophobicContact CB-CD2 4.32Å; Q1353-Y1356 PolarHBondContact O-N 3.01Å; Q1353-Y1356 VanDerWaalsContact O-N 3.14Å |
| 1354 | P | 77.8 | Confident | 74.2 | Confident | 50 Ų | 50 | 66.7 Ų | 66.7 | 33% | 0.325 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | 133.1 | 178.6 | -24.4 | 33.7 | 0 | 0 | 0 | 111.8 | A1372 V1389 | P1354-A1372 HydrophobicContact CG-CB 4.45Å; P1354-V1389 HydrophobicContact CB-CG1 3.98Å; P1354-V1389 WeakPolarHBondContact CB-O 3.35Å |
| 1355 | G | 74.2 | Confident | 74.7 | Confident | 1 Ų | 1 | 66.1 Ų | 66.1 | 1% | 0.01 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 98.6 | -6.5 | -174.1 | 0 | 0 | 0 | 0 | 0 | 116 | Q1353 C1365 G1371 P1388 | Q1353-G1355 PolarHBondContact O-N 3.33Å; G1355-C1365 VanDerWaalsContact CA-SG 3.56Å; G1355-C1365 PolarHBondContact O-N 3.27Å; G1355-C1365 PolarHBondContact O-SG 2.83Å; G1355-G1371 PolarHBondContact N-O 3.11Å; G1355-P1388 VanDerWaalsContact CA-C 3.43Å; G1355-P1388 WeakPolarHBondContact CA-O 3.06Å; G1355-P1388 PolarHBondContact N-O 2.86Å |
| 1356 | Y | 80.9 | Confident | 74.9 | Confident | 73 Ų | 73 | 63.3 Ų | 63.3 | 29% | 0.286 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 152.5 | 178.4 | -60.5 | -88.2 | 0 | 0 | 0 | 113 | N1339 C1352 Q1353 N1363 V1364 G1373 | N1339-Y1356 HydrophobicContact CB-CD1 3.86Å; N1339-Y1356 HydrophobicContact CB-CD2 4.42Å; N1339-Y1356 HydrophobicContact CB-CE1 3.75Å; N1339-Y1356 HydrophobicContact CB-CE2 4.33Å; N1339-Y1356 HydrophobicContact CB-CG 4.2Å; C1352-Y1356 VanDerWaalsContact CB-O 3.24Å; C1352-Y1356 WeakPolarHBondContact CB-O 3.45Å; Q1353-Y1356 HydrophobicContact CB-CD2 4.32Å; Q1353-Y1356 PolarHBondContact O-N 3.01Å; Q1353-Y1356 VanDerWaalsContact O-N 3.14Å; Y1356-N1363 CarbonylContact C-O 3.52Å; Y1356-N1363 WeakPolarHBondContact CA-O 3.16Å; Y1356-V1364 HydrophobicContact CD1-CG2 4.44Å; Y1356-V1364 HydrophobicContact CE1-CG2 4.13Å; Y1356-G1373 WeakPolarHBondContact O-CA 3.48Å; Y1356-G1373 PolarHBondContact O-N 2.02Å |
| 1357 | T | 79.2 | Confident | 75.1 | Confident | 42 Ų | 42 | 68.1 Ų | 68.1 | 26% | 0.258 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | -179.2 | 179.2 | -167.7 | 0 | 0 | 0 | 0 | 111.3 | C1361 Q1362 N1363 C1374 | T1357-C1361 CarbonylContact O-C 3.56Å; T1357-C1361 WeakPolarHBondContact O-CA 3.35Å; T1357-Q1362 PolarHBondContact O-N 3.11Å; T1357-N1363 HydrophobicContact CG2-CB 4.19Å; T1357-N1363 PolarHBondContact N-O 3.11Å; T1357-N1363 WeakPolarHBondContact O-CB 3.25Å; T1357-N1363 PolarHBondContact O-N 3.44Å; T1357-C1374 VanDerWaalsContact CB-SG 3.57Å |
| 1358 | G | 75.3 | Confident | 74.7 | Confident | 27 Ų | 27 | 68.6 Ų | 68.6 | 28% | 0.278 | 36% | 0.364 | S | S | . | . | S | Bend | trans | 87.4 | 162.6 | -168.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q1360 C1361 | G1358-Q1360 PolarHBondContact O-N 2.04Å; G1358-Q1360 VanDerWaalsContact O-N 3.15Å; G1358-C1361 PolarHBondContact O-N 2.02Å |
| 1359 | I | 72.9 | Confident | 75.4 | Confident | 154 Ų | 154 | 73.3 Ų | 73.3 | 79% | 0.79 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -32 | -167.8 | -46.7 | 175.8 | 0 | 0 | 0 | 112.6 | ||
| 1360 | Q | 73.6 | Confident | 75.9 | Confident | 82 Ų | 82 | 69.6 Ų | 69.6 | 38% | 0.383 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112 | 13.4 | 178.6 | -68.3 | 176.8 | -30.5 | 0 | 0 | 112.2 | H1336 Q1338 G1358 Q1362 | H1336-Q1360 WeakPolarHBondContact O-CG 3.42Å; Q1338-Q1360 WeakPolarHBondContact CB-O 3.3Å; Q1338-Q1360 PolarHBondContact N-O 3.38Å; G1358-Q1360 PolarHBondContact O-N 2.04Å; G1358-Q1360 VanDerWaalsContact O-N 3.15Å; Q1360-Q1362 PolarHBondContact O-N 3.46Å |
| 1361 | C | 77 | Confident | 75.9 | Confident | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 36% | 0.358 | C | S | . | . | S | Bend | trans | 58.6 | 28 | -173.1 | -49.7 | 0 | 0 | 0 | 0 | 114 | N1339 A1341 C1350 C1352 T1357 G1358 | N1339-C1361 PolarHBondContact ND2-O 2.98Å; A1341-C1361 HydrophobicContact CB-CB 3.75Å; A1341-C1361 WeakPolarHBondContact CB-SG 3.2Å; C1350-C1361 VanDerWaalsContact CB-SG 3.52Å; C1352-C1361 WeakPolarHBondContact CA-SG 3.46Å; C1352-C1361 HydrophobicContact CB-CB 3.76Å; C1352-C1361 WeakPolarHBondContact CB-SG 3.14Å; C1352-C1361 PolarHBondContact N-SG 3.45Å; C1352-C1361 VanDerWaalsContact SG-CA 3.5Å; C1352-C1361 WeakPolarHBondContact SG-CB 3.01Å; C1352-C1361 CovalentContact SG-SG 2.04Å; C1352-C1361 PolarHBondContact SG-SG 3.04Å; T1357-C1361 CarbonylContact O-C 3.56Å; T1357-C1361 WeakPolarHBondContact O-CA 3.35Å; G1358-C1361 PolarHBondContact O-N 2.02Å |
| 1362 | Q | 74.8 | Confident | 76.2 | Confident | 73 Ų | 73 | 66.2 Ų | 66.2 | 34% | 0.341 | 35% | 0.352 | S | S | . | . | trans | -78.2 | -20.4 | -175.7 | 75.4 | -82.1 | 26.8 | 0 | 0 | 113.7 | Q1338 T1357 Q1360 | Q1338-Q1362 VanDerWaalsContact OE1-CB 3.26Å; T1357-Q1362 PolarHBondContact O-N 3.11Å; Q1360-Q1362 PolarHBondContact O-N 3.46Å | ||
| 1363 | N | 77.1 | Confident | 76 | Confident | 86 Ų | 86 | 67.1 Ų | 67.1 | 46% | 0.46 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 136.6 | -178.8 | -61.3 | -29.8 | 0 | 0 | 0 | 110.4 | Y1356 T1357 | Y1356-N1363 CarbonylContact C-O 3.52Å; Y1356-N1363 WeakPolarHBondContact CA-O 3.16Å; T1357-N1363 HydrophobicContact CG2-CB 4.19Å; T1357-N1363 PolarHBondContact N-O 3.11Å; T1357-N1363 WeakPolarHBondContact O-CB 3.25Å; T1357-N1363 PolarHBondContact O-N 3.44Å |
| 1364 | V | 78.1 | Confident | 76.1 | Confident | 87 Ų | 87 | 63.5 Ų | 63.5 | 53% | 0.527 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 154.5 | 163.2 | -177.6 | 0 | 0 | 0 | 0 | 108.9 | Y1356 P1388 | Y1356-V1364 HydrophobicContact CD1-CG2 4.44Å; Y1356-V1364 HydrophobicContact CE1-CG2 4.13Å; V1364-P1388 HydrophobicContact CG1-CB 4.3Å; V1364-P1388 HydrophobicContact CG1-CG 3.98Å |
| 1365 | C | 81.2 | Confident | 76.2 | Confident | 15 Ų | 15 | 64.4 Ų | 64.4 | 10% | 0.101 | 36% | 0.357 | C | S | . | . | P | Polyproline II helix | trans | -53.6 | 136.4 | 176.2 | -66.9 | 0 | 0 | 0 | 0 | 112.7 | G1355 R1369 C1374 P1388 | G1355-C1365 VanDerWaalsContact CA-SG 3.56Å; G1355-C1365 PolarHBondContact O-N 3.27Å; G1355-C1365 PolarHBondContact O-SG 2.83Å; C1365-R1369 WeakPolarHBondContact CB-O 3.47Å; C1365-C1374 WeakPolarHBondContact CA-SG 3.43Å; C1365-C1374 HydrophobicContact CB-CB 3.8Å; C1365-C1374 WeakPolarHBondContact CB-SG 3.36Å; C1365-C1374 WeakPolarHBondContact SG-CB 3.32Å; C1365-C1374 CovalentContact SG-SG 2.02Å; C1365-C1374 PolarHBondContact SG-SG 2.95Å; C1365-P1388 HydrophobicContact CB-CB 4.05Å |
| 1366 | P | 74.9 | Confident | 76.4 | Confident | 74 Ų | 74 | 68.8 Ų | 68.8 | 48% | 0.481 | 38% | 0.377 | S | S | . | . | P | Polyproline II helix | trans | -66.1 | 155.6 | 170.5 | 30.2 | -35.3 | 0 | 0 | 0 | 110.6 | R1369 | P1366-R1369 PolarHBondContact O-N 2.97Š|
| 1367 | E | 70.3 | Confident | 76.2 | Confident | 179 Ų | 179 | 73.1 Ų | 73.1 | 84% | 0.836 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53 | 141.4 | -173.4 | -62.7 | -168.8 | 153.1 | 0 | 0 | 113.3 | R1369 | E1367-R1369 VanDerWaalsContact C-N 3.34Š|
| 1368 | N | 66.8 | Low | 76.2 | Confident | 96 Ų | 96 | 71.9 Ų | 71.9 | 51% | 0.513 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.2 | 16.6 | -177.3 | -49.2 | -83.9 | 0 | 0 | 0 | 116 | C1378 | N1368-C1378 PolarHBondContact O-N 3.41Å; N1368-C1378 PolarHBondContact O-SG 3.21Å |
| 1369 | R | 84 | Confident | 76.6 | Confident | 112 Ų | 112 | 80.3 Ų | 80.3 | 42% | 0.423 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 151.4 | 170.2 | -70 | 179.6 | 161.5 | -76.9 | -2.3 | 113.5 | C1365 P1366 E1367 C1374 S1375 E1376 C1378 | C1365-R1369 WeakPolarHBondContact CB-O 3.47Å; P1366-R1369 PolarHBondContact O-N 2.97Å; E1367-R1369 VanDerWaalsContact C-N 3.34Å; R1369-C1374 HydrophobicContact CB-CB 4.02Å; R1369-C1374 WeakPolarHBondContact CD-O 3.01Å; R1369-C1374 PolarHBondContact NH1-O 3.38Å; R1369-S1375 PolarHBondContact NH1-O 2.82Å; R1369-E1376 CarbonylContact C-O 3.58Å; R1369-E1376 WeakPolarHBondContact CA-O 3.36Å; R1369-C1378 PolarHBondContact N-SG 3.38Å |
| 1370 | Y | 83.4 | Confident | 76.9 | Confident | 64 Ų | 64 | 74 Ų | 74 | 25% | 0.251 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 174 | -179.5 | 77.7 | -89.1 | 0 | 0 | 0 | 113.2 | C1374 S1375 E1376 P1388 D1390 | Y1370-C1374 CarbonylContact O-C 3.52Å; Y1370-C1374 VanDerWaalsContact O-CA 3.3Å; Y1370-C1374 WeakPolarHBondContact O-CA 3.36Å; Y1370-S1375 PolarHBondContact O-N 3.11Å; Y1370-E1376 HydrophobicContact CD1-CB 3.64Å; Y1370-E1376 HydrophobicContact CD2-CB 3.98Å; Y1370-E1376 HydrophobicContact CD2-CG 4.46Å; Y1370-E1376 HydrophobicContact CE1-CB 3.4Å; Y1370-E1376 HydrophobicContact CE1-CG 4.46Å; Y1370-E1376 HydrophobicContact CE2-CB 3.75Å; Y1370-E1376 HydrophobicContact CE2-CG 4.05Å; Y1370-E1376 HydrophobicContact CG-CB 3.94Å; Y1370-E1376 VanDerWaalsContact CZ-CB 3.47Å; Y1370-E1376 PolarHBondContact N-O 2.85Å; Y1370-E1376 PolarHBondContact O-N 3.33Å; Y1370-E1376 VanDerWaalsContact O-N 3.09Å; Y1370-P1388 CarbonylContact C-O 3.31Å; Y1370-P1388 VanDerWaalsContact CA-O 3.23Å; Y1370-P1388 WeakPolarHBondContact CA-O 2.98Å; Y1370-P1388 WeakPolarHBondContact CB-O 3.33Å; Y1370-D1390 VanDerWaalsContact CE2-O 3.31Å; Y1370-D1390 WeakPolarHBondContact CE2-O 3.24Å |
| 1371 | G | 76.1 | Confident | 77.1 | Confident | 9 Ų | 9 | 76.2 Ų | 76.2 | 9% | 0.093 | 39% | 0.391 | C | S | . | . | S | Bend | trans | 91.3 | -175.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | G1355 G1373 C1374 P1388 | G1355-G1371 PolarHBondContact N-O 3.11Å; G1371-G1373 PolarHBondContact O-N 2.99Å; G1371-C1374 PolarHBondContact O-N 3.43Å; G1371-C1374 VanDerWaalsContact O-N 3.11Å; G1371-P1388 PolarHBondContact N-O 2.84Å |
| 1372 | A | 72.2 | Confident | 76.9 | Confident | 64 Ų | 64 | 79.8 Ų | 79.8 | 53% | 0.529 | 41% | 0.41 | S | S | . | . | G | 310 helix | trans | -65.5 | 119 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | P1354 C1374 | P1354-A1372 HydrophobicContact CG-CB 4.45Å; A1372-C1374 PolarHBondContact O-N 3.38Å |
| 1373 | G | 71.5 | Confident | 76.5 | Confident | 39 Ų | 39 | 79.5 Ų | 79.5 | 40% | 0.402 | 43% | 0.427 | S | S | . | . | G | 310 helix | trans | 69 | 7.1 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115 | Y1356 G1371 | Y1356-G1373 WeakPolarHBondContact O-CA 3.48Å; Y1356-G1373 PolarHBondContact O-N 2.02Å; G1371-G1373 PolarHBondContact O-N 2.99Å |
| 1374 | C | 77.3 | Confident | 76.4 | Confident | 6 Ų | 6 | 75.8 Ų | 75.8 | 4% | 0.041 | 41% | 0.409 | C | S | . | . | G | 310 helix | trans | 65.4 | 33.6 | 178.3 | -41.1 | 0 | 0 | 0 | 0 | 114.8 | T1357 C1365 R1369 Y1370 G1371 A1372 | T1357-C1374 VanDerWaalsContact CB-SG 3.57Å; C1365-C1374 WeakPolarHBondContact CA-SG 3.43Å; C1365-C1374 HydrophobicContact CB-CB 3.8Å; C1365-C1374 WeakPolarHBondContact CB-SG 3.36Å; C1365-C1374 WeakPolarHBondContact SG-CB 3.32Å; C1365-C1374 CovalentContact SG-SG 2.02Å; C1365-C1374 PolarHBondContact SG-SG 2.95Å; R1369-C1374 HydrophobicContact CB-CB 4.02Å; R1369-C1374 WeakPolarHBondContact CD-O 3.01Å; R1369-C1374 PolarHBondContact NH1-O 3.38Å; Y1370-C1374 CarbonylContact O-C 3.52Å; Y1370-C1374 VanDerWaalsContact O-CA 3.3Å; Y1370-C1374 WeakPolarHBondContact O-CA 3.36Å; G1371-C1374 PolarHBondContact O-N 3.43Å; G1371-C1374 VanDerWaalsContact O-N 3.11Å; A1372-C1374 PolarHBondContact O-N 3.38Å |
| 1375 | S | 78.9 | Confident | 76.3 | Confident | 70 Ų | 70 | 78.7 Ų | 78.7 | 49% | 0.49 | 41% | 0.412 | S | S | . | . | trans | -61.8 | -43.2 | 178.7 | 57 | 0 | 0 | 0 | 0 | 112.7 | R1369 Y1370 | R1369-S1375 PolarHBondContact NH1-O 2.82Å; Y1370-S1375 PolarHBondContact O-N 3.11Å | ||
| 1376 | E | 78.6 | Confident | 76.2 | Confident | 92 Ų | 92 | 78.8 Ų | 78.8 | 43% | 0.43 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 144.4 | -168.8 | -56 | -43 | 115 | 0 | 0 | 112.2 | R1369 Y1370 | R1369-E1376 CarbonylContact C-O 3.58Å; R1369-E1376 WeakPolarHBondContact CA-O 3.36Å; Y1370-E1376 HydrophobicContact CD1-CB 3.64Å; Y1370-E1376 HydrophobicContact CD2-CB 3.98Å; Y1370-E1376 HydrophobicContact CD2-CG 4.46Å; Y1370-E1376 HydrophobicContact CE1-CB 3.4Å; Y1370-E1376 HydrophobicContact CE1-CG 4.46Å; Y1370-E1376 HydrophobicContact CE2-CB 3.75Å; Y1370-E1376 HydrophobicContact CE2-CG 4.05Å; Y1370-E1376 HydrophobicContact CG-CB 3.94Å; Y1370-E1376 VanDerWaalsContact CZ-CB 3.47Å; Y1370-E1376 PolarHBondContact N-O 2.85Å; Y1370-E1376 PolarHBondContact O-N 3.33Å; Y1370-E1376 VanDerWaalsContact O-N 3.09Å |
| 1377 | K | 76.7 | Confident | 76.3 | Confident | 164 Ų | 164 | 77.3 Ų | 77.3 | 71% | 0.713 | 40% | 0.4 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100 | 123.8 | -179.9 | -170.6 | 177.8 | -179 | -179.7 | 0 | 110.1 | ||
| 1378 | C | 80.4 | Confident | 76.6 | Confident | 16 Ų | 16 | 69.7 Ų | 69.7 | 11% | 0.108 | 37% | 0.366 | C | S | . | . | P | Polyproline II helix | trans | -60.6 | 142.9 | -179 | -60.9 | 0 | 0 | 0 | 0 | 112.1 | N1368 R1369 C1386 | N1368-C1378 PolarHBondContact O-N 3.41Å; N1368-C1378 PolarHBondContact O-SG 3.21Å; R1369-C1378 PolarHBondContact N-SG 3.38Å; C1378-C1386 HydrophobicContact CB-CB 3.63Å; C1378-C1386 WeakPolarHBondContact CB-SG 3.25Å; C1378-C1386 WeakPolarHBondContact SG-CB 2.99Å; C1378-C1386 CovalentContact SG-SG 2.02Å; C1378-C1386 PolarHBondContact SG-SG 3.23Å |
| 1379 | R | 82.5 | Confident | 77.2 | Confident | 204 Ų | 204 | 68.5 Ų | 68.5 | 77% | 0.77 | 36% | 0.362 | S | S | * | . | trans | -96.2 | 2.7 | 177.9 | -74.9 | -179.3 | 163.9 | -174.6 | -4.4 | 114.1 | K1381 T1403 | R1379-K1381 PolarHBondContact O-N 3.07Å; R1379-T1403 HydrophobicContact CB-CG2 3.82Å | ||
| 1380 | C | 80.5 | Confident | 77.1 | Confident | 22 Ų | 22 | 67 Ų | 67 | 15% | 0.149 | 36% | 0.362 | C | S | . | . | trans | -65.3 | 129 | -172.2 | -45 | 0 | 0 | 0 | 0 | 112.1 | G1384 C1393 | C1380-G1384 WeakPolarHBondContact CB-O 2.95Å; C1380-C1393 WeakPolarHBondContact CA-SG 3.03Å; C1380-C1393 HydrophobicContact CB-CB 3.75Å; C1380-C1393 WeakPolarHBondContact CB-SG 3.5Å; C1380-C1393 PolarHBondContact N-SG 3.32Å; C1380-C1393 VanDerWaalsContact N-SG 3.43Å; C1380-C1393 VanDerWaalsContact SG-CA 3.53Å; C1380-C1393 WeakPolarHBondContact SG-CB 3.49Å; C1380-C1393 CovalentContact SG-SG 2.04Å; C1380-C1393 PolarHBondContact SG-SG 3.33Å | ||
| 1381 | K | 77.5 | Confident | 76.9 | Confident | 129 Ų | 129 | 64.4 Ų | 64.4 | 56% | 0.561 | 36% | 0.356 | S | S | * | . | trans | -102.8 | 173.9 | 172.6 | -66.2 | -169.2 | 178.3 | -178.3 | 0 | 110.7 | R1379 G1383 G1384 T1403 A1405 | R1379-K1381 PolarHBondContact O-N 3.07Å; K1381-G1383 PolarHBondContact O-N 3.27Å; K1381-G1384 PolarHBondContact O-N 2.87Å; K1381-T1403 PolarHBondContact N-O 3.03Å; K1381-A1405 HydrophobicContact CD-CB 4.13Å | ||
| 1382 | N | 72 | Confident | 77.1 | Confident | 75 Ų | 75 | 67.9 Ų | 67.9 | 40% | 0.401 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.9 | 29.2 | 170.4 | -55.6 | -34.9 | 0 | 0 | 0 | 114.8 | G1384 T1396 W1399 C1404 | N1382-G1384 VanDerWaalsContact C-N 3.3Å; N1382-G1384 PolarHBondContact O-N 3.49Å; N1382-T1396 PolarHBondContact O-OG1 2.88Å; N1382-W1399 HydrophobicContact CB-CD2 3.88Å; N1382-W1399 HydrophobicContact CB-CG 3.9Å; N1382-W1399 HydrophobicContact CB-CZ2 4.49Å; N1382-W1399 VanDerWaalsContact ND2-CD2 3.3Å; N1382-W1399 VanDerWaalsContact ND2-CZ3 3.32Å; N1382-W1399 WeakPolarHBondContact ND2-CZ3 3.23Å; N1382-C1404 PolarHBondContact ND2-O 2.83Å |
| 1383 | G | 67.4 | Low | 77.5 | Confident | 66 Ų | 66 | 65.7 Ų | 65.7 | 68% | 0.68 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.3 | 11.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | K1381 Y1385 T1396 | K1381-G1383 PolarHBondContact O-N 3.27Å; G1383-Y1385 PolarHBondContact O-N 3.11Å; G1383-T1396 VanDerWaalsContact O-CG2 3.27Å; G1383-T1396 WeakPolarHBondContact O-CG2 2.98Å |
| 1384 | G | 73.9 | Confident | 77.9 | Confident | 9 Ų | 9 | 71.3 Ų | 71.3 | 9% | 0.093 | 37% | 0.369 | C | S | . | . | P | Polyproline II helix | trans | -56.9 | 126.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | C1380 K1381 N1382 C1386 K1394 | C1380-G1384 WeakPolarHBondContact CB-O 2.95Å; K1381-G1384 PolarHBondContact O-N 2.87Å; N1382-G1384 VanDerWaalsContact C-N 3.3Å; N1382-G1384 PolarHBondContact O-N 3.49Å; G1384-C1386 PolarHBondContact O-N 3.26Å; G1384-K1394 CarbonylContact C-O 3.53Å |
| 1385 | Y | 75.2 | Confident | 78.1 | Confident | 148 Ų | 148 | 71.4 Ų | 71.4 | 58% | 0.58 | 37% | 0.37 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 120.7 | -178.8 | 173.4 | -88 | 0 | 0 | 0 | 110.1 | G1383 K1394 | G1383-Y1385 PolarHBondContact O-N 3.11Å; Y1385-K1394 HydrophobicContact CD1-CB 4.34Å; Y1385-K1394 PolarHBondContact N-O 3.01Å; Y1385-K1394 PolarHBondContact O-N 2.71Å |
| 1386 | C | 81 | Confident | 78 | Confident | 16 Ų | 16 | 70.4 Ų | 70.4 | 11% | 0.108 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 129 | 177.1 | -170 | 0 | 0 | 0 | 0 | 110.8 | C1378 G1384 P1388 | C1378-C1386 HydrophobicContact CB-CB 3.63Å; C1378-C1386 WeakPolarHBondContact CB-SG 3.25Å; C1378-C1386 WeakPolarHBondContact SG-CB 2.99Å; C1378-C1386 CovalentContact SG-SG 2.02Å; C1378-C1386 PolarHBondContact SG-SG 3.23Å; G1384-C1386 PolarHBondContact O-N 3.26Å; C1386-P1388 WeakPolarHBondContact O-CD 3.18Å |
| 1387 | N | 76.2 | Confident | 78.1 | Confident | 44 Ų | 44 | 70.5 Ų | 70.5 | 24% | 0.235 | 36% | 0.364 | C | S | . | . | P | Polyproline II helix | trans | -68 | 121 | 169.7 | -178.7 | 5.7 | 0 | 0 | 0 | 110 | V1389 D1390 G1391 T1392 | N1387-V1389 PolarHBondContact O-N 2.84Å; N1387-V1389 VanDerWaalsContact O-N 3.13Å; N1387-V1389 PolarHBondContact OD1-N 3.22Å; N1387-V1389 VanDerWaalsContact OD1-N 3.15Å; N1387-D1390 VanDerWaalsContact CB-OD1 3.3Å; N1387-D1390 WeakPolarHBondContact CB-OD1 3.32Å; N1387-D1390 PolarHBondContact ND2-OD1 3.08Å; N1387-D1390 PolarHBondContact ND2-OD2 2.86Å; N1387-G1391 WeakPolarHBondContact O-CA 3.26Å; N1387-G1391 PolarHBondContact O-N 2.87Å; N1387-T1392 WeakPolarHBondContact CB-OG1 3.43Å; N1387-T1392 PolarHBondContact N-O 3.25Å |
| 1388 | P | 75.8 | Confident | 78.1 | Confident | 18 Ų | 18 | 62.7 Ų | 62.7 | 12% | 0.117 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -29.7 | 177.6 | -28.9 | 37.7 | 0 | 0 | 0 | 114.2 | G1355 V1364 C1365 Y1370 G1371 C1386 | G1355-P1388 VanDerWaalsContact CA-C 3.43Å; G1355-P1388 WeakPolarHBondContact CA-O 3.06Å; G1355-P1388 PolarHBondContact N-O 2.86Å; V1364-P1388 HydrophobicContact CG1-CB 4.3Å; V1364-P1388 HydrophobicContact CG1-CG 3.98Å; C1365-P1388 HydrophobicContact CB-CB 4.05Å; Y1370-P1388 CarbonylContact C-O 3.31Å; Y1370-P1388 VanDerWaalsContact CA-O 3.23Å; Y1370-P1388 WeakPolarHBondContact CA-O 2.98Å; Y1370-P1388 WeakPolarHBondContact CB-O 3.33Å; G1371-P1388 PolarHBondContact N-O 2.84Å; C1386-P1388 WeakPolarHBondContact O-CD 3.18Å |
| 1389 | V | 79.3 | Confident | 78.2 | Confident | 71 Ų | 71 | 64.9 Ų | 64.9 | 43% | 0.43 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -53.2 | -172.2 | -173.3 | 0 | 0 | 0 | 0 | 111.7 | P1354 N1387 | P1354-V1389 HydrophobicContact CB-CG1 3.98Å; P1354-V1389 WeakPolarHBondContact CB-O 3.35Å; N1387-V1389 PolarHBondContact O-N 2.84Å; N1387-V1389 VanDerWaalsContact O-N 3.13Å; N1387-V1389 PolarHBondContact OD1-N 3.22Å; N1387-V1389 VanDerWaalsContact OD1-N 3.15Å |
| 1390 | D | 82.8 | Confident | 78.3 | Confident | 80 Ų | 80 | 56.7 Ų | 56.7 | 43% | 0.428 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.8 | -5.6 | -167.6 | 57.6 | 31.5 | 0 | 0 | 0 | 114.5 | Y1370 N1387 T1392 | Y1370-D1390 VanDerWaalsContact CE2-O 3.31Å; Y1370-D1390 WeakPolarHBondContact CE2-O 3.24Å; N1387-D1390 VanDerWaalsContact CB-OD1 3.3Å; N1387-D1390 WeakPolarHBondContact CB-OD1 3.32Å; N1387-D1390 PolarHBondContact ND2-OD1 3.08Å; N1387-D1390 PolarHBondContact ND2-OD2 2.86Å; D1390-T1392 VanDerWaalsContact C-N 3.29Å; D1390-T1392 PolarHBondContact O-N 3.39Å; D1390-T1392 VanDerWaalsContact OD1-CB 3.27Å; D1390-T1392 WeakPolarHBondContact OD1-CB 3.44Å; D1390-T1392 VanDerWaalsContact OD1-CG2 3.29Å; D1390-T1392 WeakPolarHBondContact OD1-CG2 3.34Å; D1390-T1392 PolarHBondContact OD1-N 3.42Å; D1390-T1392 PolarHBondContact OD1-OG1 2.62Å |
| 1391 | G | 78.3 | Confident | 78.3 | Confident | 11 Ų | 11 | 56.7 Ų | 56.7 | 11% | 0.113 | 31% | 0.312 | C | S | . | . | trans | 79.9 | 3.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | N1387 | N1387-G1391 WeakPolarHBondContact O-CA 3.26Å; N1387-G1391 PolarHBondContact O-N 2.87Å | ||
| 1392 | T | 80.9 | Confident | 78.3 | Confident | 82 Ų | 82 | 57.7 Ų | 57.7 | 50% | 0.503 | 32% | 0.324 | S | S | . | . | trans | -62.8 | 137.7 | 177.8 | 54.8 | 0 | 0 | 0 | 0 | 111.5 | N1387 D1390 | N1387-T1392 WeakPolarHBondContact CB-OG1 3.43Å; N1387-T1392 PolarHBondContact N-O 3.25Å; D1390-T1392 VanDerWaalsContact C-N 3.29Å; D1390-T1392 PolarHBondContact O-N 3.39Å; D1390-T1392 VanDerWaalsContact OD1-CB 3.27Å; D1390-T1392 WeakPolarHBondContact OD1-CB 3.44Å; D1390-T1392 VanDerWaalsContact OD1-CG2 3.29Å; D1390-T1392 WeakPolarHBondContact OD1-CG2 3.34Å; D1390-T1392 PolarHBondContact OD1-N 3.42Å; D1390-T1392 PolarHBondContact OD1-OG1 2.62Å | ||
| 1393 | C | 81.6 | Confident | 78.8 | Confident | 18 Ų | 18 | 56.5 Ų | 56.5 | 12% | 0.122 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 107.2 | -176 | -60 | 0 | 0 | 0 | 0 | 111.3 | C1380 C1395 D1402 C1404 | C1380-C1393 WeakPolarHBondContact CA-SG 3.03Å; C1380-C1393 HydrophobicContact CB-CB 3.75Å; C1380-C1393 WeakPolarHBondContact CB-SG 3.5Å; C1380-C1393 PolarHBondContact N-SG 3.32Å; C1380-C1393 VanDerWaalsContact N-SG 3.43Å; C1380-C1393 VanDerWaalsContact SG-CA 3.53Å; C1380-C1393 WeakPolarHBondContact SG-CB 3.49Å; C1380-C1393 CovalentContact SG-SG 2.04Å; C1380-C1393 PolarHBondContact SG-SG 3.33Å; C1393-C1395 PolarHBondContact O-N 3.09Å; C1393-D1402 WeakPolarHBondContact CB-O 3.26Å; C1393-D1402 PolarHBondContact SG-O 2.85Å; C1393-C1404 VanDerWaalsContact CB-SG 3.52Å; C1393-C1404 PolarHBondContact O-SG 3.21Å |
| 1394 | K | 79.5 | Confident | 79.5 | Confident | 156 Ų | 156 | 53.4 Ų | 53.4 | 68% | 0.678 | 29% | 0.287 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 104.7 | 169.8 | -176.8 | -176.2 | 177.6 | -175 | 0 | 109.4 | G1384 Y1385 | G1384-K1394 CarbonylContact C-O 3.53Å; Y1385-K1394 HydrophobicContact CD1-CB 4.34Å; Y1385-K1394 PolarHBondContact N-O 3.01Å; Y1385-K1394 PolarHBondContact O-N 2.71Å |
| 1395 | C | 81.6 | Confident | 79.9 | Confident | 8 Ų | 8 | 55 Ų | 55 | 5% | 0.054 | 30% | 0.3 | C | S | . | . | P | Polyproline II helix | trans | -70.9 | 146.5 | -170.6 | -53.4 | 0 | 0 | 0 | 0 | 114.5 | C1393 W1399 C1404 | C1393-C1395 PolarHBondContact O-N 3.09Å; C1395-W1399 HydrophobicContact CB-CB 4.22Å; C1395-W1399 WeakPolarHBondContact CB-O 3.36Å; C1395-C1404 WeakPolarHBondContact CA-SG 3.33Å; C1395-C1404 HydrophobicContact CB-CB 3.72Å; C1395-C1404 WeakPolarHBondContact CB-SG 3.36Å; C1395-C1404 PolarHBondContact N-SG 3.13Å; C1395-C1404 WeakPolarHBondContact SG-CA 3.06Å; C1395-C1404 WeakPolarHBondContact SG-CB 3.45Å; C1395-C1404 CovalentContact SG-SG 2.04Å; C1395-C1404 PolarHBondContact SG-SG 3.03Å |
| 1396 | T | 76.4 | Confident | 80.2 | Confident | 49 Ų | 49 | 54.1 Ų | 54.1 | 30% | 0.301 | 30% | 0.301 | S | S | . | . | P | Polyproline II helix | trans | -65.1 | 168.1 | 168 | 42.4 | 0 | 0 | 0 | 0 | 111 | N1382 G1383 G1398 W1399 | N1382-T1396 PolarHBondContact O-OG1 2.88Å; G1383-T1396 VanDerWaalsContact O-CG2 3.27Å; G1383-T1396 WeakPolarHBondContact O-CG2 2.98Å; T1396-G1398 PolarHBondContact O-N 2.03Å; T1396-W1399 PolarHBondContact O-N 3.04Å |
| 1397 | L | 79.9 | Confident | 80.2 | Confident | 94 Ų | 94 | 58.5 Ų | 58.5 | 49% | 0.492 | 32% | 0.319 | S | S | . | . | B | Isolated β-bridge | trans | -57.2 | 124.3 | 179.1 | -60.2 | 178.7 | 0 | 0 | 0 | 110.9 | P1415 I1432 | L1397-P1415 HydrophobicContact CD2-CB 4.2Å; L1397-P1415 HydrophobicContact CD2-CG 4.23Å; L1397-I1432 HydrophobicContact CB-CG2 3.73Å; L1397-I1432 HydrophobicContact CD1-CG2 4.33Å |
| 1398 | G | 76.5 | Confident | 80.5 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 94.4 | -1.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | T1396 C1408 G1414 R1431 | T1396-G1398 PolarHBondContact O-N 2.03Å; G1398-C1408 VanDerWaalsContact CA-SG 3.57Å; G1398-C1408 PolarHBondContact O-N 2.84Å; G1398-C1408 PolarHBondContact O-SG 2.95Å; G1398-G1414 PolarHBondContact N-O 2.76Å; G1398-R1431 VanDerWaalsContact CA-CG 3.48Å; G1398-R1431 VanDerWaalsContact CA-O 3.29Å; G1398-R1431 WeakPolarHBondContact CA-O 3.44Å; G1398-R1431 VanDerWaalsContact O-CD 3.23Å; G1398-R1431 WeakPolarHBondContact O-CD 3.35Å; G1398-R1431 VanDerWaalsContact O-CG 3.28Å; G1398-R1431 WeakPolarHBondContact O-CG 3.31Å |
| 1399 | W | 83.5 | Confident | 80.7 | Confident | 62 Ų | 62 | 59.6 Ų | 59.6 | 24% | 0.235 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 149.6 | -176.6 | -60.1 | 97 | 0 | 0 | 0 | 112.1 | N1382 C1395 T1396 C1404 Q1406 E1407 A1416 | N1382-W1399 HydrophobicContact CB-CD2 3.88Å; N1382-W1399 HydrophobicContact CB-CG 3.9Å; N1382-W1399 HydrophobicContact CB-CZ2 4.49Å; N1382-W1399 VanDerWaalsContact ND2-CD2 3.3Å; N1382-W1399 VanDerWaalsContact ND2-CZ3 3.32Å; N1382-W1399 WeakPolarHBondContact ND2-CZ3 3.23Å; C1395-W1399 HydrophobicContact CB-CB 4.22Å; C1395-W1399 WeakPolarHBondContact CB-O 3.36Å; T1396-W1399 PolarHBondContact O-N 3.04Å; W1399-C1404 HydrophobicContact CB-CB 4.3Å; W1399-Q1406 WeakPolarHBondContact CA-O 3.34Å; W1399-E1407 HydrophobicContact CH2-CG 4.33Å; W1399-E1407 HydrophobicContact CZ3-CG 3.79Å; W1399-A1416 WeakPolarHBondContact O-CA 3.34Å; W1399-A1416 PolarHBondContact O-N 3.36Å |
| 1400 | T | 84.5 | Confident | 80.7 | Confident | 33 Ų | 33 | 66.3 Ų | 66.3 | 20% | 0.202 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | -173.9 | -179.4 | -163.3 | 0 | 0 | 0 | 0 | 112.4 | C1404 Q1406 A1416 C1417 | T1400-C1404 CarbonylContact O-C 3.47Å; T1400-C1404 WeakPolarHBondContact O-CA 3.02Å; T1400-Q1406 HydrophobicContact CG2-CB 4.24Å; T1400-Q1406 PolarHBondContact N-O 2.02Å; T1400-Q1406 WeakPolarHBondContact O-CB 3.26Å; T1400-Q1406 PolarHBondContact O-N 3.35Å; T1400-Q1406 VanDerWaalsContact O-N 3.13Å; T1400-A1416 WeakPolarHBondContact CB-O 3.06Å; T1400-A1416 PolarHBondContact OG1-O 2.82Å; T1400-C1417 VanDerWaalsContact CB-SG 3.55Å; T1400-C1417 HydrophobicContact CG2-CB 4.29Å |
| 1401 | G | 80.9 | Confident | 80.4 | Confident | 21 Ų | 21 | 64 Ų | 64 | 22% | 0.216 | 35% | 0.348 | C | S | . | . | S | Bend | trans | 74 | 162.3 | -170 | 0 | 0 | 0 | 0 | 0 | 113 | T1403 C1404 | G1401-T1403 PolarHBondContact O-N 3.45Å; G1401-C1404 PolarHBondContact O-N 2.03Å |
| 1402 | D | 77.5 | Confident | 80.6 | Confident | 151 Ų | 151 | 67.6 Ų | 67.6 | 81% | 0.807 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -17.7 | -165.7 | -44.1 | -46.9 | 0 | 0 | 0 | 115.7 | C1393 | C1393-D1402 WeakPolarHBondContact CB-O 3.26Å; C1393-D1402 PolarHBondContact SG-O 2.85Å |
| 1403 | T | 81.4 | Confident | 80.8 | Confident | 50 Ų | 50 | 65.2 Ų | 65.2 | 31% | 0.307 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.4 | 6.6 | 179.8 | 55.5 | 0 | 0 | 0 | 0 | 113.4 | R1379 K1381 G1401 A1405 | R1379-T1403 HydrophobicContact CB-CG2 3.82Å; K1381-T1403 PolarHBondContact N-O 3.03Å; G1401-T1403 PolarHBondContact O-N 3.45Å; T1403-A1405 PolarHBondContact O-N 2.04Å; T1403-A1405 VanDerWaalsContact O-N 3.16Å |
| 1404 | C | 83.1 | Confident | 80.3 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 34% | 0.337 | C | S | . | . | S | Bend | trans | 57.7 | 21.8 | -174.8 | -49.8 | 0 | 0 | 0 | 0 | 114.6 | N1382 C1393 C1395 W1399 T1400 G1401 | N1382-C1404 PolarHBondContact ND2-O 2.83Å; C1393-C1404 VanDerWaalsContact CB-SG 3.52Å; C1393-C1404 PolarHBondContact O-SG 3.21Å; C1395-C1404 WeakPolarHBondContact CA-SG 3.33Å; C1395-C1404 HydrophobicContact CB-CB 3.72Å; C1395-C1404 WeakPolarHBondContact CB-SG 3.36Å; C1395-C1404 PolarHBondContact N-SG 3.13Å; C1395-C1404 WeakPolarHBondContact SG-CA 3.06Å; C1395-C1404 WeakPolarHBondContact SG-CB 3.45Å; C1395-C1404 CovalentContact SG-SG 2.04Å; C1395-C1404 PolarHBondContact SG-SG 3.03Å; W1399-C1404 HydrophobicContact CB-CB 4.3Å; T1400-C1404 CarbonylContact O-C 3.47Å; T1400-C1404 WeakPolarHBondContact O-CA 3.02Å; G1401-C1404 PolarHBondContact O-N 2.03Å |
| 1405 | A | 81.7 | Confident | 79.9 | Confident | 44 Ų | 44 | 59.4 Ų | 59.4 | 36% | 0.364 | 32% | 0.321 | S | S | . | . | trans | -87.4 | -14.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | K1381 T1403 | K1381-A1405 HydrophobicContact CD-CB 4.13Å; T1403-A1405 PolarHBondContact O-N 2.04Å; T1403-A1405 VanDerWaalsContact O-N 3.16Å | ||
| 1406 | Q | 82.4 | Confident | 79.5 | Confident | 129 Ų | 129 | 61.3 Ų | 61.3 | 60% | 0.603 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 138.1 | 179.3 | -66 | -179.4 | -10.4 | 0 | 0 | 110.8 | W1399 T1400 | W1399-Q1406 WeakPolarHBondContact CA-O 3.34Å; T1400-Q1406 HydrophobicContact CG2-CB 4.24Å; T1400-Q1406 PolarHBondContact N-O 2.02Å; T1400-Q1406 WeakPolarHBondContact O-CB 3.26Å; T1400-Q1406 PolarHBondContact O-N 3.35Å; T1400-Q1406 VanDerWaalsContact O-N 3.13Å |
| 1407 | E | 80.3 | Confident | 79.6 | Confident | 107 Ų | 107 | 59.5 Ų | 59.5 | 50% | 0.5 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 153 | 173 | -60.8 | -160.7 | 134.9 | 0 | 0 | 112 | W1399 R1431 | W1399-E1407 HydrophobicContact CH2-CG 4.33Å; W1399-E1407 HydrophobicContact CZ3-CG 3.79Å; E1407-R1431 VanDerWaalsContact CD-CZ 3.41Å; E1407-R1431 VanDerWaalsContact CD-NH2 3.33Å; E1407-R1431 IonicContact OE1-CZ 3.38Å; E1407-R1431 IonicContact OE1-NH1 2.65Å; E1407-R1431 PolarHBondContact OE1-NH1 3.06Å; E1407-R1431 IonicContact OE1-NH2 2.76Å; E1407-R1431 IonicContact OE2-CZ 3.1Å; E1407-R1431 VanDerWaalsContact OE2-CZ 3.27Å; E1407-R1431 IonicContact OE2-NH1 2.76Å; E1407-R1431 PolarHBondContact OE2-NH1 3.22Å; E1407-R1431 VanDerWaalsContact OE2-NH1 3.16Å; E1407-R1431 IonicContact OE2-NH2 2.73Å; E1407-R1431 PolarHBondContact OE2-NH2 3.25Å |
| 1408 | C | 82.4 | Confident | 79.6 | Confident | 8 Ų | 8 | 59.2 Ų | 59.2 | 5% | 0.054 | 33% | 0.332 | C | S | . | . | P | Polyproline II helix | trans | -60.3 | 134.8 | 170.7 | -61.1 | 0 | 0 | 0 | 0 | 112.3 | G1398 F1412 C1417 R1431 | G1398-C1408 VanDerWaalsContact CA-SG 3.57Å; G1398-C1408 PolarHBondContact O-N 2.84Å; G1398-C1408 PolarHBondContact O-SG 2.95Å; C1408-F1412 WeakPolarHBondContact CB-O 3.06Å; C1408-C1417 WeakPolarHBondContact CA-SG 3.42Å; C1408-C1417 HydrophobicContact CB-CB 3.75Å; C1408-C1417 WeakPolarHBondContact CB-SG 3.3Å; C1408-C1417 WeakPolarHBondContact SG-CB 3.38Å; C1408-C1417 CovalentContact SG-SG 2.02Å; C1408-C1417 PolarHBondContact SG-SG 3.11Å; C1408-R1431 HydrophobicContact CB-CG 3.93Å |
| 1409 | P | 80.6 | Confident | 79.5 | Confident | 78 Ų | 78 | 61.6 Ų | 61.6 | 51% | 0.506 | 34% | 0.344 | S | S | . | . | P | Polyproline II helix | trans | -57.3 | 157.6 | 165.8 | -23.4 | 34.2 | 0 | 0 | 0 | 112.3 | G1411 F1412 | P1409-G1411 PolarHBondContact O-N 3.29Å; P1409-F1412 HydrophobicContact CB-CD2 4.34Å; P1409-F1412 PolarHBondContact O-N 2.92Å; P1409-F1412 VanDerWaalsContact O-N 3.16Å |
| 1410 | K | 79 | Confident | 79.3 | Confident | 212 Ų | 212 | 65.4 Ų | 65.4 | 92% | 0.922 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | 131.7 | 172.9 | -68.6 | -177.6 | 177.7 | -177.7 | 0 | 109.9 | ||
| 1411 | G | 77.4 | Confident | 79 | Confident | 31 Ų | 31 | 64.7 Ų | 64.7 | 32% | 0.32 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.6 | -1.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | P1409 C1421 | P1409-G1411 PolarHBondContact O-N 3.29Å; G1411-C1421 VanDerWaalsContact C-SG 3.52Å; G1411-C1421 WeakPolarHBondContact O-CB 3.02Å; G1411-C1421 PolarHBondContact O-N 2.91Å; G1411-C1421 PolarHBondContact O-SG 3.19Å |
| 1412 | F | 82.4 | Confident | 78.8 | Confident | 87 Ų | 87 | 72.4 Ų | 72.4 | 38% | 0.382 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 147 | -179.3 | -66.3 | -86.8 | 0 | 0 | 0 | 112.8 | C1408 P1409 C1417 L1419 E1420 | C1408-F1412 WeakPolarHBondContact CB-O 3.06Å; P1409-F1412 HydrophobicContact CB-CD2 4.34Å; P1409-F1412 PolarHBondContact O-N 2.92Å; P1409-F1412 VanDerWaalsContact O-N 3.16Å; F1412-C1417 HydrophobicContact CB-CB 4.16Å; F1412-L1419 CarbonylContact C-O 3.33Å; F1412-L1419 WeakPolarHBondContact CA-O 3.43Å; F1412-E1420 HydrophobicContact CD1-CB 4.46Å; F1412-E1420 HydrophobicContact CE1-CB 4.18Å; F1412-E1420 HydrophobicContact CE1-CG 4.31Å |
| 1413 | Y | 83.7 | Confident | 78.9 | Confident | 31 Ų | 31 | 66.6 Ų | 66.6 | 12% | 0.122 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 174.7 | -177.2 | 79.7 | -83.6 | 0 | 0 | 0 | 113 | C1417 S1418 L1419 R1431 T1433 | Y1413-C1417 CarbonylContact O-C 3.58Å; Y1413-C1417 VanDerWaalsContact O-C 3.32Å; Y1413-C1417 VanDerWaalsContact O-CA 3.31Å; Y1413-C1417 WeakPolarHBondContact O-CA 3.44Å; Y1413-S1418 PolarHBondContact O-N 2.67Å; Y1413-L1419 HydrophobicContact CD1-CB 3.75Å; Y1413-L1419 VanDerWaalsContact CD1-O 3.24Å; Y1413-L1419 WeakPolarHBondContact CD1-O 3.42Å; Y1413-L1419 HydrophobicContact CD2-CB 4.27Å; Y1413-L1419 HydrophobicContact CD2-CD1 4.2Å; Y1413-L1419 HydrophobicContact CE1-CB 3.46Å; Y1413-L1419 VanDerWaalsContact CE1-CB 3.46Å; Y1413-L1419 HydrophobicContact CE1-CD1 4.47Å; Y1413-L1419 HydrophobicContact CE2-CB 4.01Å; Y1413-L1419 HydrophobicContact CE2-CD1 3.58Å; Y1413-L1419 HydrophobicContact CE2-CG 4.45Å; Y1413-L1419 HydrophobicContact CG-CB 4.16Å; Y1413-L1419 PolarHBondContact N-O 2.98Å; Y1413-L1419 WeakPolarHBondContact O-CB 3.33Å; Y1413-L1419 PolarHBondContact O-N 3.19Å; Y1413-R1431 WeakPolarHBondContact CA-O 3.17Å; Y1413-R1431 WeakPolarHBondContact CB-O 3.45Å; Y1413-T1433 WeakPolarHBondContact CE2-O 3.38Å |
| 1414 | G | 71.6 | Confident | 78.6 | Confident | 1 Ų | 1 | 68.7 Ų | 68.7 | 1% | 0.01 | 36% | 0.361 | C | S | . | . | S | Bend | trans | 84 | -163.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | G1398 A1416 C1417 R1431 | G1398-G1414 PolarHBondContact N-O 2.76Å; G1414-A1416 PolarHBondContact O-N 3.23Å; G1414-C1417 PolarHBondContact O-N 3.26Å; G1414-R1431 PolarHBondContact N-O 3.4Å |
| 1415 | P | 71.6 | Confident | 78.2 | Confident | 52 Ų | 52 | 72.1 Ų | 72.1 | 34% | 0.338 | 38% | 0.379 | S | S | . | . | B | Isolated β-bridge | trans | -74.7 | 127.6 | -172.8 | 30.7 | -31.6 | 0 | 0 | 0 | 110.4 | L1397 C1417 S1418 | L1397-P1415 HydrophobicContact CD2-CB 4.2Å; L1397-P1415 HydrophobicContact CD2-CG 4.23Å; P1415-C1417 PolarHBondContact O-N 2.87Å; P1415-C1417 VanDerWaalsContact O-N 3.12Å; P1415-S1418 PolarHBondContact O-N 2.82Å; P1415-S1418 PolarHBondContact O-OG 3.24Å; P1415-S1418 VanDerWaalsContact O-OG 3.13Å |
| 1416 | A | 73.8 | Confident | 77.7 | Confident | 48 Ų | 48 | 78.9 Ų | 78.9 | 40% | 0.397 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.4 | 14.8 | -169.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | W1399 T1400 G1414 S1418 | W1399-A1416 WeakPolarHBondContact O-CA 3.34Å; W1399-A1416 PolarHBondContact O-N 3.36Å; T1400-A1416 WeakPolarHBondContact CB-O 3.06Å; T1400-A1416 PolarHBondContact OG1-O 2.82Å; G1414-A1416 PolarHBondContact O-N 3.23Å; A1416-S1418 VanDerWaalsContact C-N 3.27Å; A1416-S1418 PolarHBondContact O-N 3Å |
| 1417 | C | 78.6 | Confident | 77.4 | Confident | 11 Ų | 11 | 73.3 Ų | 73.3 | 7% | 0.074 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 59.7 | 30.7 | -175.7 | -47.7 | 0 | 0 | 0 | 0 | 114.3 | T1400 C1408 F1412 Y1413 G1414 P1415 L1419 | T1400-C1417 VanDerWaalsContact CB-SG 3.55Å; T1400-C1417 HydrophobicContact CG2-CB 4.29Å; C1408-C1417 WeakPolarHBondContact CA-SG 3.42Å; C1408-C1417 HydrophobicContact CB-CB 3.75Å; C1408-C1417 WeakPolarHBondContact CB-SG 3.3Å; C1408-C1417 WeakPolarHBondContact SG-CB 3.38Å; C1408-C1417 CovalentContact SG-SG 2.02Å; C1408-C1417 PolarHBondContact SG-SG 3.11Å; F1412-C1417 HydrophobicContact CB-CB 4.16Å; Y1413-C1417 CarbonylContact O-C 3.58Å; Y1413-C1417 VanDerWaalsContact O-C 3.32Å; Y1413-C1417 VanDerWaalsContact O-CA 3.31Å; Y1413-C1417 WeakPolarHBondContact O-CA 3.44Å; G1414-C1417 PolarHBondContact O-N 3.26Å; P1415-C1417 PolarHBondContact O-N 2.87Å; P1415-C1417 VanDerWaalsContact O-N 3.12Å; C1417-L1419 VanDerWaalsContact C-N 3.28Å; C1417-L1419 PolarHBondContact O-N 3.42Å |
| 1418 | S | 78.6 | Confident | 77.4 | Confident | 87 Ų | 87 | 75 Ų | 75 | 61% | 0.608 | 38% | 0.381 | S | S | * | . | trans | -80 | 2.1 | -173.8 | 64.7 | 0 | 0 | 0 | 0 | 115.6 | Y1413 P1415 A1416 | Y1413-S1418 PolarHBondContact O-N 2.67Å; P1415-S1418 PolarHBondContact O-N 2.82Å; P1415-S1418 PolarHBondContact O-OG 3.24Å; P1415-S1418 VanDerWaalsContact O-OG 3.13Å; A1416-S1418 VanDerWaalsContact C-N 3.27Å; A1416-S1418 PolarHBondContact O-N 3Å | ||
| 1419 | L | 73.8 | Confident | 77.3 | Confident | 51 Ų | 51 | 75.6 Ų | 75.6 | 27% | 0.267 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 129.7 | -179.5 | -55.4 | 176.6 | 0 | 0 | 0 | 110.4 | F1412 Y1413 C1417 | F1412-L1419 CarbonylContact C-O 3.33Å; F1412-L1419 WeakPolarHBondContact CA-O 3.43Å; Y1413-L1419 HydrophobicContact CD1-CB 3.75Å; Y1413-L1419 VanDerWaalsContact CD1-O 3.24Å; Y1413-L1419 WeakPolarHBondContact CD1-O 3.42Å; Y1413-L1419 HydrophobicContact CD2-CB 4.27Å; Y1413-L1419 HydrophobicContact CD2-CD1 4.2Å; Y1413-L1419 HydrophobicContact CE1-CB 3.46Å; Y1413-L1419 VanDerWaalsContact CE1-CB 3.46Å; Y1413-L1419 HydrophobicContact CE1-CD1 4.47Å; Y1413-L1419 HydrophobicContact CE2-CB 4.01Å; Y1413-L1419 HydrophobicContact CE2-CD1 3.58Å; Y1413-L1419 HydrophobicContact CE2-CG 4.45Å; Y1413-L1419 HydrophobicContact CG-CB 4.16Å; Y1413-L1419 PolarHBondContact N-O 2.98Å; Y1413-L1419 WeakPolarHBondContact O-CB 3.33Å; Y1413-L1419 PolarHBondContact O-N 3.19Å; C1417-L1419 VanDerWaalsContact C-N 3.28Å; C1417-L1419 PolarHBondContact O-N 3.42Å |
| 1420 | E | 79.8 | Confident | 77.1 | Confident | 142 Ų | 142 | 74 Ų | 74 | 66% | 0.664 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 135.8 | 177.8 | -171.7 | 178.6 | -168.6 | 0 | 0 | 111.3 | F1412 R1422 | F1412-E1420 HydrophobicContact CD1-CB 4.46Å; F1412-E1420 HydrophobicContact CE1-CB 4.18Å; F1412-E1420 HydrophobicContact CE1-CG 4.31Å; E1420-R1422 PolarHBondContact O-N 2.04Å |
| 1421 | C | 78.4 | Confident | 77.1 | Confident | 18 Ų | 18 | 67 Ų | 67 | 12% | 0.122 | 34% | 0.341 | C | S | . | . | trans | -79.3 | 109.8 | 179 | -63.2 | 0 | 0 | 0 | 0 | 111.2 | G1411 C1423 C1429 | G1411-C1421 VanDerWaalsContact C-SG 3.52Å; G1411-C1421 WeakPolarHBondContact O-CB 3.02Å; G1411-C1421 PolarHBondContact O-N 2.91Å; G1411-C1421 PolarHBondContact O-SG 3.19Å; C1421-C1423 PolarHBondContact O-N 3.34Å; C1421-C1429 HydrophobicContact CB-CB 3.56Å; C1421-C1429 WeakPolarHBondContact CB-SG 3.44Å; C1421-C1429 WeakPolarHBondContact SG-CB 3.37Å; C1421-C1429 CovalentContact SG-SG 2.03Å; C1421-C1429 PolarHBondContact SG-SG 3.29Å | ||
| 1422 | R | 77.4 | Confident | 77 | Confident | 182 Ų | 182 | 69.6 Ų | 69.6 | 69% | 0.687 | 35% | 0.346 | S | S | * | . | trans | -81.8 | 42.7 | 175.8 | -55.1 | -169.7 | 74 | -167.2 | 2.1 | 112.9 | E1420 M1446 | E1420-R1422 PolarHBondContact O-N 2.04Å; R1422-M1446 HydrophobicContact CB-SD 4.03Å; R1422-M1446 WeakPolarHBondContact O-CB 3.19Å | ||
| 1423 | C | 79.9 | Confident | 76.6 | Confident | 30 Ų | 30 | 66.9 Ų | 66.9 | 20% | 0.203 | 34% | 0.337 | C | S | . | . | trans | -82.7 | 122.1 | -177.6 | -60.5 | 0 | 0 | 0 | 0 | 111.4 | C1421 A1427 C1436 | C1421-C1423 PolarHBondContact O-N 3.34Å; C1423-A1427 HydrophobicContact CB-CB 4.27Å; C1423-C1436 WeakPolarHBondContact CA-SG 3.49Å; C1423-C1436 HydrophobicContact CB-CB 3.83Å; C1423-C1436 WeakPolarHBondContact CB-SG 3.47Å; C1423-C1436 VanDerWaalsContact SG-CA 3.57Å; C1423-C1436 WeakPolarHBondContact SG-CB 3.03Å; C1423-C1436 CovalentContact SG-SG 2.04Å; C1423-C1436 PolarHBondContact SG-SG 3Å | ||
| 1424 | H | 74 | Confident | 76 | Confident | 94 Ų | 94 | 66 Ų | 66 | 44% | 0.435 | 34% | 0.338 | S | S | . | . | trans | -87.4 | 166.9 | 174.7 | -66.2 | -82.5 | 0 | 0 | 0 | 111.6 | E1426 A1427 M1446 | H1424-E1426 VanDerWaalsContact C-N 3.31Å; H1424-E1426 PolarHBondContact O-N 3.37Å; H1424-A1427 WeakPolarHBondContact O-CB 3.4Å; H1424-A1427 PolarHBondContact O-N 3.23Å; H1424-M1446 PolarHBondContact N-O 2.82Å | ||
| 1425 | N | 74.6 | Confident | 76.2 | Confident | 72 Ų | 72 | 66.5 Ų | 66.5 | 39% | 0.385 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.9 | 39.5 | 172.8 | -57.7 | -64.4 | 0 | 0 | 0 | 114.5 | A1427 Y1442 C1447 | N1425-A1427 PolarHBondContact O-N 3.1Å; N1425-A1427 VanDerWaalsContact O-N 3.1Å; N1425-Y1442 HydrophobicContact CB-CD1 4.1Å; N1425-Y1442 HydrophobicContact CB-CE1 4.01Å; N1425-Y1442 HydrophobicContact CB-CG 4.42Å; N1425-Y1442 WeakPolarHBondContact ND2-CD1 3.37Å; N1425-Y1442 WeakPolarHBondContact ND2-CE1 3.03Å; N1425-C1447 PolarHBondContact ND2-O 3.47Å |
| 1426 | E | 71.8 | Confident | 76.6 | Confident | 186 Ų | 186 | 64.3 Ų | 64.3 | 87% | 0.869 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.4 | 23.9 | 179.1 | -57.4 | -175.3 | 174.1 | 0 | 0 | 114.8 | H1424 | H1424-E1426 VanDerWaalsContact C-N 3.31Å; H1424-E1426 PolarHBondContact O-N 3.37Å |
| 1427 | A | 76.1 | Confident | 76.7 | Confident | 11 Ų | 11 | 63 Ų | 63 | 9% | 0.091 | 31% | 0.313 | C | S | . | . | P | Polyproline II helix | trans | -62.9 | 137.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | C1423 H1424 N1425 C1429 C1436 D1437 C1447 | C1423-A1427 HydrophobicContact CB-CB 4.27Å; H1424-A1427 WeakPolarHBondContact O-CB 3.4Å; H1424-A1427 PolarHBondContact O-N 3.23Å; N1425-A1427 PolarHBondContact O-N 3.1Å; N1425-A1427 VanDerWaalsContact O-N 3.1Å; A1427-C1429 PolarHBondContact O-N 3.11Å; A1427-C1436 HydrophobicContact CB-CB 4.1Å; A1427-D1437 WeakPolarHBondContact CB-O 3.47Å; A1427-C1447 HydrophobicContact CB-CB 3.76Å; A1427-C1447 WeakPolarHBondContact CB-SG 3.14Å |
| 1428 | Y | 80 | Confident | 76.7 | Confident | 142 Ų | 142 | 62.7 Ų | 62.7 | 56% | 0.557 | 31% | 0.311 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 120.2 | -178.4 | 166.8 | -96.9 | 0 | 0 | 0 | 110.4 | D1437 | Y1428-D1437 HydrophobicContact CD1-CB 4.18Å; Y1428-D1437 PolarHBondContact N-O 2.04Å; Y1428-D1437 PolarHBondContact O-N 3.44Å |
| 1429 | C | 81.1 | Confident | 76.8 | Confident | 21 Ų | 21 | 63.3 Ų | 63.3 | 14% | 0.142 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 124.4 | 176.3 | -169.6 | 0 | 0 | 0 | 0 | 111.4 | C1421 A1427 R1431 | C1421-C1429 HydrophobicContact CB-CB 3.56Å; C1421-C1429 WeakPolarHBondContact CB-SG 3.44Å; C1421-C1429 WeakPolarHBondContact SG-CB 3.37Å; C1421-C1429 CovalentContact SG-SG 2.03Å; C1421-C1429 PolarHBondContact SG-SG 3.29Å; A1427-C1429 PolarHBondContact O-N 3.11Å; C1429-R1431 PolarHBondContact O-N 2.88Å |
| 1430 | D | 76.4 | Confident | 77.1 | Confident | 44 Ų | 44 | 65 Ų | 65 | 24% | 0.235 | 31% | 0.311 | C | S | . | . | P | Polyproline II helix | trans | -67 | 129.3 | 170.5 | 175.7 | -103.2 | 0 | 0 | 0 | 111.6 | I1432 T1433 G1434 C1435 | D1430-I1432 VanDerWaalsContact C-N 3.34Å; D1430-I1432 PolarHBondContact O-N 2.86Å; D1430-I1432 PolarHBondContact OD1-N 3.49Å; D1430-T1433 WeakPolarHBondContact CB-OG1 3.49Å; D1430-T1433 WeakPolarHBondContact OD1-CB 3.36Å; D1430-T1433 PolarHBondContact OD1-N 2.93Å; D1430-T1433 PolarHBondContact OD1-OG1 2.04Å; D1430-G1434 VanDerWaalsContact O-CA 3.23Å; D1430-G1434 WeakPolarHBondContact O-CA 3.06Å; D1430-G1434 PolarHBondContact O-N 3.1Å; D1430-C1435 HydrophobicContact CB-CB 4.15Å; D1430-C1435 PolarHBondContact N-O 3.09Å |
| 1431 | R | 77.3 | Confident | 77.1 | Confident | 66 Ų | 66 | 58.3 Ų | 58.3 | 25% | 0.249 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -32.9 | -175 | 168.1 | 178.2 | -63.5 | 156.7 | -2.3 | 114.6 | G1398 E1407 C1408 Y1413 G1414 C1429 | G1398-R1431 VanDerWaalsContact CA-CG 3.48Å; G1398-R1431 VanDerWaalsContact CA-O 3.29Å; G1398-R1431 WeakPolarHBondContact CA-O 3.44Å; G1398-R1431 VanDerWaalsContact O-CD 3.23Å; G1398-R1431 WeakPolarHBondContact O-CD 3.35Å; G1398-R1431 VanDerWaalsContact O-CG 3.28Å; G1398-R1431 WeakPolarHBondContact O-CG 3.31Å; E1407-R1431 VanDerWaalsContact CD-CZ 3.41Å; E1407-R1431 VanDerWaalsContact CD-NH2 3.33Å; E1407-R1431 IonicContact OE1-CZ 3.38Å; E1407-R1431 IonicContact OE1-NH1 2.65Å; E1407-R1431 PolarHBondContact OE1-NH1 3.06Å; E1407-R1431 IonicContact OE1-NH2 2.76Å; E1407-R1431 IonicContact OE2-CZ 3.1Å; E1407-R1431 VanDerWaalsContact OE2-CZ 3.27Å; E1407-R1431 IonicContact OE2-NH1 2.76Å; E1407-R1431 PolarHBondContact OE2-NH1 3.22Å; E1407-R1431 VanDerWaalsContact OE2-NH1 3.16Å; E1407-R1431 IonicContact OE2-NH2 2.73Å; E1407-R1431 PolarHBondContact OE2-NH2 3.25Å; C1408-R1431 HydrophobicContact CB-CG 3.93Å; Y1413-R1431 WeakPolarHBondContact CA-O 3.17Å; Y1413-R1431 WeakPolarHBondContact CB-O 3.45Å; G1414-R1431 PolarHBondContact N-O 3.4Å; C1429-R1431 PolarHBondContact O-N 2.88Å |
| 1432 | I | 75.6 | Confident | 77.3 | Confident | 85 Ų | 85 | 60 Ų | 60 | 44% | 0.436 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | -42 | -172 | -60 | 179.6 | 0 | 0 | 0 | 110 | L1397 D1430 | L1397-I1432 HydrophobicContact CB-CG2 3.73Å; L1397-I1432 HydrophobicContact CD1-CG2 4.33Å; D1430-I1432 VanDerWaalsContact C-N 3.34Å; D1430-I1432 PolarHBondContact O-N 2.86Å; D1430-I1432 PolarHBondContact OD1-N 3.49Å |
| 1433 | T | 73.6 | Confident | 77.4 | Confident | 30 Ų | 30 | 54.6 Ų | 54.6 | 18% | 0.184 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.5 | -20 | -170.1 | 61.3 | 0 | 0 | 0 | 0 | 114.3 | Q57 Y1413 D1430 C1435 | Q57-T1433 PolarHBondContact NE2-O 2.88Å; Y1413-T1433 WeakPolarHBondContact CE2-O 3.38Å; D1430-T1433 WeakPolarHBondContact CB-OG1 3.49Å; D1430-T1433 WeakPolarHBondContact OD1-CB 3.36Å; D1430-T1433 PolarHBondContact OD1-N 2.93Å; D1430-T1433 PolarHBondContact OD1-OG1 2.04Å; T1433-C1435 VanDerWaalsContact C-N 3.27Å; T1433-C1435 WeakPolarHBondContact OG1-CB 3.45Å; T1433-C1435 PolarHBondContact OG1-N 3.34Å |
| 1434 | G | 73 | Confident | 76.9 | Confident | 14 Ų | 14 | 54 Ų | 54 | 14% | 0.144 | 26% | 0.264 | C | S | . | . | trans | 76.7 | 12.6 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | D1430 C1436 | D1430-G1434 VanDerWaalsContact O-CA 3.23Å; D1430-G1434 WeakPolarHBondContact O-CA 3.06Å; D1430-G1434 PolarHBondContact O-N 3.1Å; G1434-C1436 PolarHBondContact O-N 3.27Å | ||
| 1435 | C | 75.1 | Confident | 76.7 | Confident | 11 Ų | 11 | 51.5 Ų | 51.5 | 7% | 0.074 | 26% | 0.257 | C | S | . | . | trans | -72.4 | 125.5 | -176 | -144.8 | 0 | 0 | 0 | 0 | 111.5 | C55 D1430 T1433 D1437 | C55-C1435 HydrophobicContact CB-CB 4.14Å; C55-C1435 WeakPolarHBondContact CB-SG 3.02Å; C55-C1435 WeakPolarHBondContact SG-CB 3.31Å; C55-C1435 CovalentContact SG-SG 2.03Å; C55-C1435 PolarHBondContact SG-SG 3.4Å; D1430-C1435 HydrophobicContact CB-CB 4.15Å; D1430-C1435 PolarHBondContact N-O 3.09Å; T1433-C1435 VanDerWaalsContact C-N 3.27Å; T1433-C1435 WeakPolarHBondContact OG1-CB 3.45Å; T1433-C1435 PolarHBondContact OG1-N 3.34Å; C1435-D1437 PolarHBondContact O-N 2.82Å | ||
| 1436 | C | 80.7 | Confident | 76.6 | Confident | 5 Ų | 5 | 49.9 Ų | 49.9 | 3% | 0.034 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 116.6 | 174.4 | -51 | 0 | 0 | 0 | 0 | 110.4 | C1423 A1427 G1434 C1438 C1447 Y1459 | C1423-C1436 WeakPolarHBondContact CA-SG 3.49Å; C1423-C1436 HydrophobicContact CB-CB 3.83Å; C1423-C1436 WeakPolarHBondContact CB-SG 3.47Å; C1423-C1436 VanDerWaalsContact SG-CA 3.57Å; C1423-C1436 WeakPolarHBondContact SG-CB 3.03Å; C1423-C1436 CovalentContact SG-SG 2.04Å; C1423-C1436 PolarHBondContact SG-SG 3Å; A1427-C1436 HydrophobicContact CB-CB 4.1Å; G1434-C1436 PolarHBondContact O-N 3.27Å; C1436-C1438 PolarHBondContact O-N 3.49Å; C1436-C1447 VanDerWaalsContact CB-SG 3.5Å; C1436-Y1459 PolarHBondContact O-OH 3.4Å |
| 1437 | D | 74.3 | Confident | 77.1 | Confident | 21 Ų | 21 | 41.1 Ų | 41.1 | 11% | 0.112 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 100.5 | 172.2 | -154.5 | 39.7 | 0 | 0 | 0 | 108.9 | K95 R97 A1427 Y1428 C1435 | K95-D1437 IonicContact NZ-OD1 2.72Å; K95-D1437 PolarHBondContact NZ-OD1 2.97Å; R97-D1437 IonicContact CZ-OD2 3.16Å; R97-D1437 IonicContact NE-OD1 3.27Å; R97-D1437 IonicContact NE-OD2 3.5Å; R97-D1437 PolarHBondContact NE-OD2 3.2Å; R97-D1437 IonicContact NH2-OD2 3.62Å; R97-D1437 PolarHBondContact NH2-OD2 2.91Å; A1427-D1437 WeakPolarHBondContact CB-O 3.47Å; Y1428-D1437 HydrophobicContact CD1-CB 4.18Å; Y1428-D1437 PolarHBondContact N-O 2.04Å; Y1428-D1437 PolarHBondContact O-N 3.44Å; C1435-D1437 PolarHBondContact O-N 2.82Å |
| 1438 | C | 79.9 | Confident | 77.3 | Confident | 4 Ų | 4 | 43.8 Ų | 43.8 | 3% | 0.027 | 22% | 0.218 | C | C | . | . | P | Polyproline II helix | trans | -68.1 | 137.5 | -173.2 | -54 | 0 | 0 | 0 | 0 | 112.3 | C1436 C1447 W1458 Y1459 | C1436-C1438 PolarHBondContact O-N 3.49Å; C1438-C1447 WeakPolarHBondContact CA-SG 3.23Å; C1438-C1447 HydrophobicContact CB-CB 3.84Å; C1438-C1447 WeakPolarHBondContact CB-SG 3.5Å; C1438-C1447 PolarHBondContact N-SG 3.01Å; C1438-C1447 WeakPolarHBondContact SG-CA 3.45Å; C1438-C1447 WeakPolarHBondContact SG-CB 3.47Å; C1438-C1447 CovalentContact SG-SG 2.04Å; C1438-C1447 PolarHBondContact SG-SG 3.06Å; C1438-W1458 VanDerWaalsContact O-CD1 3.3Å; C1438-W1458 PolarHBondContact O-NE1 2.9Å; C1438-Y1459 HydrophobicContact CB-CE2 4.1Å; C1438-Y1459 VanDerWaalsContact SG-CZ 3.58Å; C1438-Y1459 PolarHBondContact SG-OH 3.5Å; C1438-Y1459 VanDerWaalsContact SG-OH 3.37Å |
| 1439 | Q | 79.9 | Confident | 77.4 | Confident | 100 Ų | 100 | 42.3 Ų | 42.3 | 47% | 0.467 | 22% | 0.215 | S | C | . | . | P | Polyproline II helix | trans | -64.2 | 152.4 | 165.3 | -60.5 | -62.9 | -21.1 | 0 | 0 | 110 | Y1442 | Q1439-Y1442 PolarHBondContact O-N 2.91Š|
| 1440 | E | 80.9 | Confident | 77.5 | Confident | 87 Ų | 87 | 48.7 Ų | 48.7 | 41% | 0.407 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | 144 | 178.7 | -61 | -160.3 | 111.3 | 0 | 0 | 111.8 | Y1442 W1458 K1475 | E1440-Y1442 VanDerWaalsContact C-N 3.34Å; E1440-W1458 HydrophobicContact CG-CB 4.16Å; E1440-W1458 PolarHBondContact OE1-N 2.94Å; E1440-K1475 HydrophobicContact CB-CB 4.42Å; E1440-K1475 VanDerWaalsContact O-CD 3.24Å; E1440-K1475 WeakPolarHBondContact O-CD 3.3Å; E1440-K1475 VanDerWaalsContact O-CE 3.23Å; E1440-K1475 WeakPolarHBondContact O-CE 3.29Å; E1440-K1475 VanDerWaalsContact O-CG 3.23Å; E1440-K1475 WeakPolarHBondContact O-CG 3.37Å |
| 1441 | G | 80.1 | Confident | 77.8 | Confident | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.01 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83.2 | 1 | -174 | 0 | 0 | 0 | 0 | 0 | 116 | R1450 C1451 G1457 P1474 | G1441-R1450 WeakPolarHBondContact O-CA 3.05Å; G1441-C1451 VanDerWaalsContact C-SG 3.5Å; G1441-C1451 PolarHBondContact O-N 3.18Å; G1441-G1457 PolarHBondContact N-O 2.87Å; G1441-G1457 VanDerWaalsContact N-O 3.13Å; G1441-P1474 WeakPolarHBondContact CA-O 3.39Å; G1441-P1474 PolarHBondContact N-O 2.93Å |
| 1442 | Y | 82.7 | Confident | 77.9 | Confident | 55 Ų | 55 | 47.6 Ų | 47.6 | 22% | 0.216 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 152.3 | 173.4 | -65.6 | -95.3 | 0 | 0 | 0 | 112.3 | N1425 Q1439 E1440 F1449 R1450 | N1425-Y1442 HydrophobicContact CB-CD1 4.1Å; N1425-Y1442 HydrophobicContact CB-CE1 4.01Å; N1425-Y1442 HydrophobicContact CB-CG 4.42Å; N1425-Y1442 WeakPolarHBondContact ND2-CD1 3.37Å; N1425-Y1442 WeakPolarHBondContact ND2-CE1 3.03Å; Q1439-Y1442 PolarHBondContact O-N 2.91Å; E1440-Y1442 VanDerWaalsContact C-N 3.34Å; Y1442-F1449 CarbonylContact C-O 3.34Å; Y1442-F1449 WeakPolarHBondContact CA-O 3.26Å; Y1442-R1450 HydrophobicContact CD1-CB 4.49Å; Y1442-R1450 HydrophobicContact CE1-CB 4.35Å |
| 1443 | F | 78.3 | Confident | 78 | Confident | 67 Ų | 67 | 52 Ų | 52 | 29% | 0.294 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 176.1 | 176.8 | 79.1 | -72.6 | 0 | 0 | 0 | 111.2 | C1447 E1448 F1449 R1450 Y1459 C1460 | F1443-C1447 CarbonylContact O-C 3.54Å; F1443-E1448 PolarHBondContact O-N 3.01Å; F1443-F1449 HydrophobicContact CD1-CB 3.79Å; F1443-F1449 HydrophobicContact CE1-CB 3.44Å; F1443-F1449 VanDerWaalsContact CE1-CB 3.44Å; F1443-F1449 HydrophobicContact CE1-CG 4.44Å; F1443-F1449 HydrophobicContact CE2-CB 4.4Å; F1443-F1449 HydrophobicContact CE2-CD2 4.45Å; F1443-F1449 HydrophobicContact CG-CB 4.41Å; F1443-F1449 HydrophobicContact CZ-CB 3.79Å; F1443-F1449 HydrophobicContact CZ-CD2 4.48Å; F1443-F1449 HydrophobicContact CZ-CG 4.33Å; F1443-F1449 PolarHBondContact N-O 2.8Å; F1443-F1449 PolarHBondContact O-N 3.35Å; F1443-R1450 WeakPolarHBondContact CE1-O 3.43Å; F1443-Y1459 HydrophobicContact CB-CD1 4Å; F1443-C1460 WeakPolarHBondContact CD1-SG 3.24Å |
| 1444 | G | 70.7 | Confident | 78.1 | Confident | 18 Ų | 18 | 52.2 Ų | 52.2 | 19% | 0.186 | 27% | 0.266 | C | S | . | . | S | Bend | trans | 114.4 | 175.2 | -170.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | E1448 | G1444-E1448 VanDerWaalsContact CA-OE2 3.31Å; G1444-E1448 WeakPolarHBondContact CA-OE2 3.4Å |
| 1445 | S | 68.7 | Low | 78.5 | Confident | 41 Ų | 41 | 52.9 Ų | 52.9 | 29% | 0.287 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -83.1 | -17.7 | 176.6 | 48.8 | 0 | 0 | 0 | 0 | 112.5 | E1448 | S1445-E1448 PolarHBondContact N-OE2 3.2Š|
| 1446 | M | 73.3 | Confident | 79 | Confident | 39 Ų | 39 | 54.8 Ų | 54.8 | 19% | 0.192 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -117.7 | 11.1 | 177.5 | -60.7 | -175.6 | -169.1 | 0 | 0 | 111.8 | A58 R1422 H1424 E1448 | A58-M1446 HydrophobicContact CB-CE 4.38Å; R1422-M1446 HydrophobicContact CB-SD 4.03Å; R1422-M1446 WeakPolarHBondContact O-CB 3.19Å; H1424-M1446 PolarHBondContact N-O 2.82Å; M1446-E1448 VanDerWaalsContact C-OE2 3.22Å; M1446-E1448 VanDerWaalsContact CA-OE2 3.27Å; M1446-E1448 WeakPolarHBondContact CA-OE2 3.25Å; M1446-E1448 HydrophobicContact CB-CB 4.47Å; M1446-E1448 WeakPolarHBondContact CB-OE2 3.48Å; M1446-E1448 PolarHBondContact N-OE2 2.59Å; M1446-E1448 PolarHBondContact O-N 3.15Å |
| 1447 | C | 81.4 | Confident | 78.7 | Confident | 1 Ų | 1 | 54.5 Ų | 54.5 | 1% | 0.007 | 27% | 0.272 | C | S | . | . | S | Bend | trans | 56.6 | 32.8 | -173.6 | -51.7 | 0 | 0 | 0 | 0 | 113.7 | N1425 A1427 C1436 C1438 F1443 | N1425-C1447 PolarHBondContact ND2-O 3.47Å; A1427-C1447 HydrophobicContact CB-CB 3.76Å; A1427-C1447 WeakPolarHBondContact CB-SG 3.14Å; C1436-C1447 VanDerWaalsContact CB-SG 3.5Å; C1438-C1447 WeakPolarHBondContact CA-SG 3.23Å; C1438-C1447 HydrophobicContact CB-CB 3.84Å; C1438-C1447 WeakPolarHBondContact CB-SG 3.5Å; C1438-C1447 PolarHBondContact N-SG 3.01Å; C1438-C1447 WeakPolarHBondContact SG-CA 3.45Å; C1438-C1447 WeakPolarHBondContact SG-CB 3.47Å; C1438-C1447 CovalentContact SG-SG 2.04Å; C1438-C1447 PolarHBondContact SG-SG 3.06Å; F1443-C1447 CarbonylContact O-C 3.54Å |
| 1448 | E | 79.6 | Confident | 78.6 | Confident | 67 Ų | 67 | 56.8 Ų | 56.8 | 31% | 0.313 | 28% | 0.279 | S | S | . | . | trans | -81.6 | -21.4 | -170.5 | 69.6 | -82 | -157.3 | 0 | 0 | 114 | F1443 G1444 S1445 M1446 | F1443-E1448 PolarHBondContact O-N 3.01Å; G1444-E1448 VanDerWaalsContact CA-OE2 3.31Å; G1444-E1448 WeakPolarHBondContact CA-OE2 3.4Å; S1445-E1448 PolarHBondContact N-OE2 3.2Å; M1446-E1448 VanDerWaalsContact C-OE2 3.22Å; M1446-E1448 VanDerWaalsContact CA-OE2 3.27Å; M1446-E1448 WeakPolarHBondContact CA-OE2 3.25Å; M1446-E1448 HydrophobicContact CB-CB 4.47Å; M1446-E1448 WeakPolarHBondContact CB-OE2 3.48Å; M1446-E1448 PolarHBondContact N-OE2 2.59Å; M1446-E1448 PolarHBondContact O-N 3.15Å | ||
| 1449 | F | 81.9 | Confident | 78.2 | Confident | 112 Ų | 112 | 60.5 Ų | 60.5 | 49% | 0.491 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 138.6 | -177.7 | -56.3 | -66.3 | 0 | 0 | 0 | 112.4 | Y1442 F1443 | Y1442-F1449 CarbonylContact C-O 3.34Å; Y1442-F1449 WeakPolarHBondContact CA-O 3.26Å; F1443-F1449 HydrophobicContact CD1-CB 3.79Å; F1443-F1449 HydrophobicContact CE1-CB 3.44Å; F1443-F1449 VanDerWaalsContact CE1-CB 3.44Å; F1443-F1449 HydrophobicContact CE1-CG 4.44Å; F1443-F1449 HydrophobicContact CE2-CB 4.4Å; F1443-F1449 HydrophobicContact CE2-CD2 4.45Å; F1443-F1449 HydrophobicContact CG-CB 4.41Å; F1443-F1449 HydrophobicContact CZ-CB 3.79Å; F1443-F1449 HydrophobicContact CZ-CD2 4.48Å; F1443-F1449 HydrophobicContact CZ-CG 4.33Å; F1443-F1449 PolarHBondContact N-O 2.8Å; F1443-F1449 PolarHBondContact O-N 3.35Å |
| 1450 | R | 83.8 | Confident | 78 | Confident | 155 Ų | 155 | 56.6 Ų | 56.6 | 59% | 0.585 | 28% | 0.276 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 144.4 | 166.1 | -169.8 | -179.4 | -172.4 | -162.5 | -1.6 | 109.3 | G1441 Y1442 F1443 P1474 | G1441-R1450 WeakPolarHBondContact O-CA 3.05Å; Y1442-R1450 HydrophobicContact CD1-CB 4.49Å; Y1442-R1450 HydrophobicContact CE1-CB 4.35Å; F1443-R1450 WeakPolarHBondContact CE1-O 3.43Å; R1450-P1474 HydrophobicContact CG-CB 4.26Å; R1450-P1474 HydrophobicContact CG-CG 4.16Å |
| 1451 | C | 82.7 | Confident | 77.7 | Confident | 12 Ų | 12 | 56.6 Ų | 56.6 | 8% | 0.081 | 29% | 0.286 | C | S | . | . | P | Polyproline II helix | trans | -54.2 | 141.3 | -176.7 | -64.1 | 0 | 0 | 0 | 0 | 113.4 | G1441 C1460 P1474 | G1441-C1451 VanDerWaalsContact C-SG 3.5Å; G1441-C1451 PolarHBondContact O-N 3.18Å; C1451-C1460 WeakPolarHBondContact CA-SG 3.03Å; C1451-C1460 HydrophobicContact CB-CB 3.72Å; C1451-C1460 WeakPolarHBondContact CB-SG 3.3Å; C1451-C1460 WeakPolarHBondContact SG-CA 3.13Å; C1451-C1460 WeakPolarHBondContact SG-CB 3.32Å; C1451-C1460 CovalentContact SG-SG 2.03Å; C1451-C1460 PolarHBondContact SG-SG 2.04Å; C1451-P1474 HydrophobicContact CB-CB 4.08Å |
| 1452 | P | 80.2 | Confident | 77.6 | Confident | 74 Ų | 74 | 61 Ų | 61 | 48% | 0.481 | 31% | 0.305 | S | S | . | . | P | Polyproline II helix | trans | -68.6 | 154.2 | 175.3 | 30.2 | -34.7 | 0 | 0 | 0 | 111.2 | T1455 | P1452-T1455 WeakPolarHBondContact CD-OG1 3.33Å; P1452-T1455 WeakPolarHBondContact CG-OG1 3.14Å; P1452-T1455 PolarHBondContact O-N 3.08Å; P1452-T1455 VanDerWaalsContact O-N 3.14Å; P1452-T1455 PolarHBondContact O-OG1 2.87Å |
| 1453 | E | 76.7 | Confident | 77.2 | Confident | 178 Ų | 178 | 65.3 Ų | 65.3 | 83% | 0.832 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | 142 | -178.4 | -63.8 | -154.2 | 138.1 | 0 | 0 | 112.3 | T1455 | E1453-T1455 VanDerWaalsContact C-N 3.34Š|
| 1454 | G | 76.2 | Confident | 77.2 | Confident | 34 Ų | 34 | 63.2 Ų | 63.2 | 35% | 0.351 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.8 | -0.9 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | M1463 C1464 | G1454-M1463 CarbonylContact O-C 3.53Å; G1454-M1463 VanDerWaalsContact O-CA 3.3Å; G1454-M1463 WeakPolarHBondContact O-CA 3.48Å; G1454-C1464 PolarHBondContact O-N 3Å |
| 1455 | T | 81.8 | Confident | 77.4 | Confident | 29 Ų | 29 | 67.7 Ų | 67.7 | 18% | 0.178 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 148.8 | 177.3 | 65.7 | 0 | 0 | 0 | 0 | 113.7 | P1452 E1453 K1462 | P1452-T1455 WeakPolarHBondContact CD-OG1 3.33Å; P1452-T1455 WeakPolarHBondContact CG-OG1 3.14Å; P1452-T1455 PolarHBondContact O-N 3.08Å; P1452-T1455 VanDerWaalsContact O-N 3.14Å; P1452-T1455 PolarHBondContact O-OG1 2.87Å; E1453-T1455 VanDerWaalsContact C-N 3.34Å; T1455-K1462 CarbonylContact C-O 2.94Å; T1455-K1462 VanDerWaalsContact CA-O 3.29Å; T1455-K1462 WeakPolarHBondContact CA-O 3.47Å |
| 1456 | Y | 84.8 | Confident | 78 | Confident | 50 Ų | 50 | 66.8 Ų | 66.8 | 20% | 0.196 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 171.4 | -177.9 | 80.2 | -83.5 | 0 | 0 | 0 | 114.3 | C1460 S1461 K1462 M1463 P1474 T1476 | Y1456-C1460 CarbonylContact O-C 3.57Å; Y1456-C1460 WeakPolarHBondContact O-CA 3.49Å; Y1456-S1461 PolarHBondContact O-N 3.11Å; Y1456-K1462 HydrophobicContact CD1-CB 3.73Å; Y1456-K1462 WeakPolarHBondContact CD1-O 3.49Å; Y1456-K1462 HydrophobicContact CD2-CB 4.47Å; Y1456-K1462 HydrophobicContact CD2-CD 4.15Å; Y1456-K1462 HydrophobicContact CE1-CB 3.45Å; Y1456-K1462 VanDerWaalsContact CE1-CB 3.45Å; Y1456-K1462 HydrophobicContact CE1-CD 4.15Å; Y1456-K1462 HydrophobicContact CE1-CG 4.46Å; Y1456-K1462 HydrophobicContact CE2-CB 4.25Å; Y1456-K1462 HydrophobicContact CE2-CD 3.51Å; Y1456-K1462 HydrophobicContact CG-CB 4.25Å; Y1456-K1462 PolarHBondContact N-O 3.09Å; Y1456-K1462 PolarHBondContact O-N 3.04Å; Y1456-M1463 WeakPolarHBondContact CE1-O 3.34Å; Y1456-P1474 CarbonylContact C-O 3.17Å; Y1456-P1474 WeakPolarHBondContact CA-O 3.16Å; Y1456-P1474 WeakPolarHBondContact CB-O 2.98Å; Y1456-T1476 VanDerWaalsContact CD2-C 3.44Å; Y1456-T1476 VanDerWaalsContact CE2-O 3.28Å; Y1456-T1476 WeakPolarHBondContact CE2-O 3.21Å |
| 1457 | G | 74.3 | Confident | 77.9 | Confident | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 35% | 0.35 | C | S | . | . | S | Bend | trans | 86.4 | -166.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114 | G1441 Y1459 C1460 P1474 | G1441-G1457 PolarHBondContact N-O 2.87Å; G1441-G1457 VanDerWaalsContact N-O 3.13Å; G1457-Y1459 PolarHBondContact O-N 3.45Å; G1457-C1460 PolarHBondContact O-N 3.38Å; G1457-C1460 VanDerWaalsContact O-N 3.11Å; G1457-P1474 PolarHBondContact N-O 2.02Å |
| 1458 | W | 72.1 | Confident | 77.3 | Confident | 69 Ų | 69 | 73.4 Ų | 73.4 | 26% | 0.261 | 37% | 0.371 | S | S | . | . | G | 310 helix | trans | -59.2 | 123.6 | 176.7 | -163.1 | 74.8 | 0 | 0 | 0 | 112 | E53 C1438 E1440 C1460 S1461 | E53-W1458 WeakPolarHBondContact OE1-CZ3 3.09Å; E53-W1458 WeakPolarHBondContact OE2-CH2 3.44Å; C1438-W1458 VanDerWaalsContact O-CD1 3.3Å; C1438-W1458 PolarHBondContact O-NE1 2.9Å; E1440-W1458 HydrophobicContact CG-CB 4.16Å; E1440-W1458 PolarHBondContact OE1-N 2.94Å; W1458-C1460 PolarHBondContact O-N 3.42Å; W1458-C1460 VanDerWaalsContact O-N 3.07Å; W1458-S1461 WeakPolarHBondContact O-CB 3.4Å; W1458-S1461 PolarHBondContact O-N 2.97Å; W1458-S1461 PolarHBondContact O-OG 2.03Å |
| 1459 | Y | 71.9 | Confident | 76.6 | Confident | 81 Ų | 81 | 72.8 Ų | 72.8 | 32% | 0.318 | 38% | 0.382 | S | S | . | . | G | 310 helix | trans | 44.4 | 32.6 | -169.8 | -75.1 | -96.5 | 0 | 0 | 0 | 114.9 | C1436 C1438 F1443 G1457 S1461 | C1436-Y1459 PolarHBondContact O-OH 3.4Å; C1438-Y1459 HydrophobicContact CB-CE2 4.1Å; C1438-Y1459 VanDerWaalsContact SG-CZ 3.58Å; C1438-Y1459 PolarHBondContact SG-OH 3.5Å; C1438-Y1459 VanDerWaalsContact SG-OH 3.37Å; F1443-Y1459 HydrophobicContact CB-CD1 4Å; G1457-Y1459 PolarHBondContact O-N 3.45Å; Y1459-S1461 PolarHBondContact O-N 3.26Å; Y1459-S1461 VanDerWaalsContact O-N 3.16Å |
| 1460 | C | 75.9 | Confident | 76.3 | Confident | 18 Ų | 18 | 68.1 Ų | 68.1 | 12% | 0.122 | 37% | 0.365 | C | S | . | . | G | 310 helix | trans | 60.1 | 25.8 | 175.4 | -38.4 | 0 | 0 | 0 | 0 | 114.1 | F1443 C1451 Y1456 G1457 W1458 K1462 | F1443-C1460 WeakPolarHBondContact CD1-SG 3.24Å; C1451-C1460 WeakPolarHBondContact CA-SG 3.03Å; C1451-C1460 HydrophobicContact CB-CB 3.72Å; C1451-C1460 WeakPolarHBondContact CB-SG 3.3Å; C1451-C1460 WeakPolarHBondContact SG-CA 3.13Å; C1451-C1460 WeakPolarHBondContact SG-CB 3.32Å; C1451-C1460 CovalentContact SG-SG 2.03Å; C1451-C1460 PolarHBondContact SG-SG 2.04Å; Y1456-C1460 CarbonylContact O-C 3.57Å; Y1456-C1460 WeakPolarHBondContact O-CA 3.49Å; G1457-C1460 PolarHBondContact O-N 3.38Å; G1457-C1460 VanDerWaalsContact O-N 3.11Å; W1458-C1460 PolarHBondContact O-N 3.42Å; W1458-C1460 VanDerWaalsContact O-N 3.07Å; C1460-K1462 PolarHBondContact O-N 2.03Å; C1460-K1462 VanDerWaalsContact O-N 3.17Å |
| 1461 | S | 75 | Confident | 76 | Confident | 88 Ų | 88 | 62.8 Ų | 62.8 | 62% | 0.615 | 35% | 0.351 | S | S | * | . | trans | -73.3 | -2.1 | -168.9 | 52.9 | 0 | 0 | 0 | 0 | 115.8 | Y1456 W1458 Y1459 | Y1456-S1461 PolarHBondContact O-N 3.11Å; W1458-S1461 WeakPolarHBondContact O-CB 3.4Å; W1458-S1461 PolarHBondContact O-N 2.97Å; W1458-S1461 PolarHBondContact O-OG 2.03Å; Y1459-S1461 PolarHBondContact O-N 3.26Å; Y1459-S1461 VanDerWaalsContact O-N 3.16Å | ||
| 1462 | K | 76.7 | Confident | 76 | Confident | 93 Ų | 93 | 62.9 Ų | 62.9 | 40% | 0.404 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 134 | -179.4 | -57.9 | 170.2 | -173.8 | 165.1 | 0 | 110.3 | T1455 Y1456 C1460 | T1455-K1462 CarbonylContact C-O 2.94Å; T1455-K1462 VanDerWaalsContact CA-O 3.29Å; T1455-K1462 WeakPolarHBondContact CA-O 3.47Å; Y1456-K1462 HydrophobicContact CD1-CB 3.73Å; Y1456-K1462 WeakPolarHBondContact CD1-O 3.49Å; Y1456-K1462 HydrophobicContact CD2-CB 4.47Å; Y1456-K1462 HydrophobicContact CD2-CD 4.15Å; Y1456-K1462 HydrophobicContact CE1-CB 3.45Å; Y1456-K1462 VanDerWaalsContact CE1-CB 3.45Å; Y1456-K1462 HydrophobicContact CE1-CD 4.15Å; Y1456-K1462 HydrophobicContact CE1-CG 4.46Å; Y1456-K1462 HydrophobicContact CE2-CB 4.25Å; Y1456-K1462 HydrophobicContact CE2-CD 3.51Å; Y1456-K1462 HydrophobicContact CG-CB 4.25Å; Y1456-K1462 PolarHBondContact N-O 3.09Å; Y1456-K1462 PolarHBondContact O-N 3.04Å; C1460-K1462 PolarHBondContact O-N 2.03Å; C1460-K1462 VanDerWaalsContact O-N 3.17Å |
| 1463 | M | 74.8 | Confident | 75.9 | Confident | 145 Ų | 145 | 61.2 Ų | 61.2 | 71% | 0.714 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 145 | 167.5 | -83.8 | 94.7 | 91.6 | 0 | 0 | 112.1 | G1454 Y1456 | G1454-M1463 CarbonylContact O-C 3.53Å; G1454-M1463 VanDerWaalsContact O-CA 3.3Å; G1454-M1463 WeakPolarHBondContact O-CA 3.48Å; Y1456-M1463 WeakPolarHBondContact CE1-O 3.34Å |
| 1464 | C | 78.1 | Confident | 76.1 | Confident | 23 Ų | 23 | 53.5 Ų | 53.5 | 16% | 0.155 | 30% | 0.304 | C | S | . | . | trans | -80 | 131.6 | 176.2 | -61.9 | 0 | 0 | 0 | 0 | 111.7 | G1454 C1466 C1472 | G1454-C1464 PolarHBondContact O-N 3Å; C1464-C1466 PolarHBondContact O-N 3.3Å; C1464-C1472 HydrophobicContact CB-CB 3.56Å; C1464-C1472 WeakPolarHBondContact CB-SG 3.26Å; C1464-C1472 WeakPolarHBondContact SG-CB 3Å; C1464-C1472 CovalentContact SG-SG 2.02Å; C1464-C1472 PolarHBondContact SG-SG 2.87Å | ||
| 1465 | N | 75.9 | Confident | 76.3 | Confident | 112 Ų | 112 | 56.2 Ų | 56.2 | 60% | 0.599 | 31% | 0.306 | S | S | * | . | trans | -101.1 | 45 | -176.7 | -69.5 | -45 | 0 | 0 | 0 | 112.3 | K1489 | N1465-K1489 WeakPolarHBondContact O-CB 3.46Å; N1465-K1489 WeakPolarHBondContact O-CG 3.41Å | ||
| 1466 | C | 80.2 | Confident | 76.3 | Confident | 23 Ų | 23 | 59.1 Ų | 59.1 | 16% | 0.155 | 32% | 0.324 | C | S | . | . | trans | -90.6 | 126.9 | -176.8 | -55.7 | 0 | 0 | 0 | 0 | 111.3 | C1464 A1470 C1479 | C1464-C1466 PolarHBondContact O-N 3.3Å; C1466-A1470 HydrophobicContact CB-CB 4.13Å; C1466-A1470 VanDerWaalsContact CB-O 3.25Å; C1466-A1470 WeakPolarHBondContact CB-O 3.03Å; C1466-C1479 WeakPolarHBondContact CA-SG 3.34Å; C1466-C1479 HydrophobicContact CB-CB 3.86Å; C1466-C1479 WeakPolarHBondContact CB-SG 3.47Å; C1466-C1479 VanDerWaalsContact SG-CA 3.57Å; C1466-C1479 WeakPolarHBondContact SG-CB 3.41Å; C1466-C1479 CovalentContact SG-SG 2.04Å; C1466-C1479 PolarHBondContact SG-SG 3.23Å | ||
| 1467 | L | 70.9 | Confident | 76 | Confident | 93 Ų | 93 | 57.3 Ų | 57.3 | 49% | 0.487 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -90.1 | 173.1 | 179.3 | -58.8 | 179.2 | 0 | 0 | 0 | 111.3 | G1469 A1470 K1489 E1491 | L1467-G1469 PolarHBondContact O-N 3.42Å; L1467-A1470 PolarHBondContact O-N 3.26Å; L1467-A1470 VanDerWaalsContact O-N 3.11Å; L1467-K1489 WeakPolarHBondContact CB-O 3.23Å; L1467-K1489 HydrophobicContact CG-CB 4.44Å; L1467-K1489 PolarHBondContact N-O 2.93Å; L1467-E1491 HydrophobicContact CD1-CB 4.08Å |
| 1468 | N | 68.9 | Low | 76.3 | Confident | 86 Ų | 86 | 63 Ų | 63 | 46% | 0.46 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55 | 21.7 | -179.7 | -60.1 | -55.3 | 0 | 0 | 0 | 114.2 | A1470 F1485 C1490 | N1468-A1470 VanDerWaalsContact C-N 3.33Å; N1468-A1470 PolarHBondContact O-N 2.03Å; N1468-F1485 HydrophobicContact CB-CD1 4.16Å; N1468-F1485 HydrophobicContact CB-CE1 4.04Å; N1468-F1485 HydrophobicContact CB-CZ 4.29Å; N1468-F1485 VanDerWaalsContact CG-CE1 3.5Å; N1468-F1485 WeakPolarHBondContact ND2-CD1 3.04Å; N1468-F1485 WeakPolarHBondContact ND2-CE1 3.36Å; N1468-C1490 PolarHBondContact ND2-O 3.22Å |
| 1469 | G | 65.2 | Low | 76.8 | Confident | 53 Ų | 53 | 60.5 Ų | 60.5 | 55% | 0.546 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.8 | 33.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | L1467 K1482 | L1467-G1469 PolarHBondContact O-N 3.42Å; G1469-K1482 WeakPolarHBondContact O-CE 3.07Å; G1469-K1482 PolarHBondContact O-NZ 2.9Å |
| 1470 | A | 76.6 | Confident | 77.1 | Confident | 14 Ų | 14 | 61.9 Ų | 61.9 | 12% | 0.116 | 35% | 0.349 | C | S | . | . | trans | -72.9 | 145.7 | 167.3 | 0 | 0 | 0 | 0 | 0 | 111 | C1466 L1467 N1468 Q1480 C1490 | C1466-A1470 HydrophobicContact CB-CB 4.13Å; C1466-A1470 VanDerWaalsContact CB-O 3.25Å; C1466-A1470 WeakPolarHBondContact CB-O 3.03Å; L1467-A1470 PolarHBondContact O-N 3.26Å; L1467-A1470 VanDerWaalsContact O-N 3.11Å; N1468-A1470 VanDerWaalsContact C-N 3.33Å; N1468-A1470 PolarHBondContact O-N 2.03Å; A1470-Q1480 WeakPolarHBondContact CB-O 3.44Å; A1470-C1490 HydrophobicContact CB-CB 4.01Å; A1470-C1490 WeakPolarHBondContact CB-SG 3.34Å | ||
| 1471 | S | 76.3 | Confident | 77.3 | Confident | 43 Ų | 43 | 61.2 Ų | 61.2 | 30% | 0.301 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 173.9 | 171.3 | 57.6 | 0 | 0 | 0 | 0 | 110.8 | C1479 Q1480 | S1471-C1479 CarbonylContact O-C 3.38Å; S1471-C1479 WeakPolarHBondContact O-CA 3Å; S1471-Q1480 PolarHBondContact O-N 2.94Å |
| 1472 | C | 82.6 | Confident | 77.3 | Confident | 15 Ų | 15 | 62.3 Ų | 62.3 | 10% | 0.101 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 154.4 | -179.6 | 51.7 | 0 | 0 | 0 | 0 | 111.7 | C1464 P1474 Q1478 | C1464-C1472 HydrophobicContact CB-CB 3.56Å; C1464-C1472 WeakPolarHBondContact CB-SG 3.26Å; C1464-C1472 WeakPolarHBondContact SG-CB 3Å; C1464-C1472 CovalentContact SG-SG 2.02Å; C1464-C1472 PolarHBondContact SG-SG 2.87Å; C1472-P1474 WeakPolarHBondContact O-CD 3.49Å; C1472-Q1478 CarbonylContact C-O 3.55Å; C1472-Q1478 WeakPolarHBondContact CA-O 3.03Å |
| 1473 | D | 79.1 | Confident | 77.5 | Confident | 39 Ų | 39 | 60.8 Ų | 60.8 | 21% | 0.209 | 34% | 0.338 | C | S | . | . | trans | -68.9 | 125.4 | 166.6 | -178.4 | -97.3 | 0 | 0 | 0 | 111 | K1475 T1476 G1477 Q1478 | D1473-K1475 PolarHBondContact O-N 2.96Å; D1473-K1475 VanDerWaalsContact O-N 3.17Å; D1473-K1475 WeakPolarHBondContact OD1-CA 3.24Å; D1473-K1475 VanDerWaalsContact OD1-CB 3.28Å; D1473-K1475 WeakPolarHBondContact OD1-CB 2.98Å; D1473-K1475 PolarHBondContact OD1-N 3.03Å; D1473-T1476 PolarHBondContact OD1-N 2.96Å; D1473-G1477 VanDerWaalsContact O-CA 3.29Å; D1473-G1477 WeakPolarHBondContact O-CA 3.47Å; D1473-G1477 PolarHBondContact O-N 2.85Å; D1473-Q1478 PolarHBondContact N-O 3.4Å | ||
| 1474 | P | 79.9 | Confident | 77.7 | Confident | 15 Ų | 15 | 54.1 Ų | 54.1 | 10% | 0.097 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -24.1 | 179.7 | -34.7 | 43.2 | 0 | 0 | 0 | 116.2 | G1441 R1450 C1451 Y1456 G1457 C1472 | G1441-P1474 WeakPolarHBondContact CA-O 3.39Å; G1441-P1474 PolarHBondContact N-O 2.93Å; R1450-P1474 HydrophobicContact CG-CB 4.26Å; R1450-P1474 HydrophobicContact CG-CG 4.16Å; C1451-P1474 HydrophobicContact CB-CB 4.08Å; Y1456-P1474 CarbonylContact C-O 3.17Å; Y1456-P1474 WeakPolarHBondContact CA-O 3.16Å; Y1456-P1474 WeakPolarHBondContact CB-O 2.98Å; G1457-P1474 PolarHBondContact N-O 2.02Å; C1472-P1474 WeakPolarHBondContact O-CD 3.49Å |
| 1475 | K | 81 | Confident | 77.8 | Confident | 91 Ų | 91 | 55.2 Ų | 55.2 | 40% | 0.396 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -58.3 | 178.2 | -50.6 | -150.6 | 168.9 | -171.2 | 0 | 110.5 | E1440 D1473 | E1440-K1475 HydrophobicContact CB-CB 4.42Å; E1440-K1475 VanDerWaalsContact O-CD 3.24Å; E1440-K1475 WeakPolarHBondContact O-CD 3.3Å; E1440-K1475 VanDerWaalsContact O-CE 3.23Å; E1440-K1475 WeakPolarHBondContact O-CE 3.29Å; E1440-K1475 VanDerWaalsContact O-CG 3.23Å; E1440-K1475 WeakPolarHBondContact O-CG 3.37Å; D1473-K1475 PolarHBondContact O-N 2.96Å; D1473-K1475 VanDerWaalsContact O-N 3.17Å; D1473-K1475 WeakPolarHBondContact OD1-CA 3.24Å; D1473-K1475 VanDerWaalsContact OD1-CB 3.28Å; D1473-K1475 WeakPolarHBondContact OD1-CB 2.98Å; D1473-K1475 PolarHBondContact OD1-N 3.03Å |
| 1476 | T | 83 | Confident | 77.9 | Confident | 90 Ų | 90 | 51.2 Ų | 51.2 | 55% | 0.552 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.5 | -21 | -168.1 | 64.5 | 0 | 0 | 0 | 0 | 114.3 | Y1456 D1473 Q1478 | Y1456-T1476 VanDerWaalsContact CD2-C 3.44Å; Y1456-T1476 VanDerWaalsContact CE2-O 3.28Å; Y1456-T1476 WeakPolarHBondContact CE2-O 3.21Å; D1473-T1476 PolarHBondContact OD1-N 2.96Å; T1476-Q1478 VanDerWaalsContact C-N 3.29Å; T1476-Q1478 WeakPolarHBondContact OG1-CB 2.96Å; T1476-Q1478 PolarHBondContact OG1-N 3.31Å |
| 1477 | G | 77 | Confident | 77.7 | Confident | 12 Ų | 12 | 51.8 Ų | 51.8 | 12% | 0.124 | 30% | 0.3 | C | S | . | . | trans | 81.2 | 2.9 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | D1473 C1479 | D1473-G1477 VanDerWaalsContact O-CA 3.29Å; D1473-G1477 WeakPolarHBondContact O-CA 3.47Å; D1473-G1477 PolarHBondContact O-N 2.85Å; G1477-C1479 PolarHBondContact O-N 2.87Å | ||
| 1478 | Q | 81.1 | Confident | 77.7 | Confident | 121 Ų | 121 | 54.3 Ų | 54.3 | 57% | 0.565 | 31% | 0.309 | S | S | * | . | trans | -64.6 | 129.6 | -177.6 | -173.2 | 176.2 | 23.1 | 0 | 0 | 111.6 | C1472 D1473 T1476 | C1472-Q1478 CarbonylContact C-O 3.55Å; C1472-Q1478 WeakPolarHBondContact CA-O 3.03Å; D1473-Q1478 PolarHBondContact N-O 3.4Å; T1476-Q1478 VanDerWaalsContact C-N 3.29Å; T1476-Q1478 WeakPolarHBondContact OG1-CB 2.96Å; T1476-Q1478 PolarHBondContact OG1-N 3.31Å | ||
| 1479 | C | 83.6 | Confident | 78 | Confident | 15 Ų | 15 | 55.2 Ų | 55.2 | 10% | 0.101 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 137.5 | -174.1 | -58.9 | 0 | 0 | 0 | 0 | 113.3 | C1466 S1471 G1477 E1488 C1490 | C1466-C1479 WeakPolarHBondContact CA-SG 3.34Å; C1466-C1479 HydrophobicContact CB-CB 3.86Å; C1466-C1479 WeakPolarHBondContact CB-SG 3.47Å; C1466-C1479 VanDerWaalsContact SG-CA 3.57Å; C1466-C1479 WeakPolarHBondContact SG-CB 3.41Å; C1466-C1479 CovalentContact SG-SG 2.04Å; C1466-C1479 PolarHBondContact SG-SG 3.23Å; S1471-C1479 CarbonylContact O-C 3.38Å; S1471-C1479 WeakPolarHBondContact O-CA 3Å; G1477-C1479 PolarHBondContact O-N 2.87Å; C1479-E1488 PolarHBondContact SG-O 3.1Å; C1479-E1488 VanDerWaalsContact SG-O 3.41Å; C1479-C1490 VanDerWaalsContact CB-SG 3.56Å |
| 1480 | Q | 77.2 | Confident | 78.7 | Confident | 111 Ų | 111 | 52.7 Ų | 52.7 | 52% | 0.519 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 93 | 174.6 | -62.5 | -170.7 | 6.7 | 0 | 0 | 109.7 | A1470 S1471 | A1470-Q1480 WeakPolarHBondContact CB-O 3.44Å; S1471-Q1480 PolarHBondContact O-N 2.94Å |
| 1481 | C | 79.4 | Confident | 78.7 | Confident | 4 Ų | 4 | 56.6 Ų | 56.6 | 3% | 0.027 | 30% | 0.299 | C | S | . | . | P | Polyproline II helix | trans | -69.3 | 133.8 | -173 | -52.2 | 0 | 0 | 0 | 0 | 113.1 | F1485 C1490 N1502 | C1481-F1485 HydrophobicContact CB-CB 4.25Å; C1481-F1485 WeakPolarHBondContact CB-O 3.46Å; C1481-C1490 WeakPolarHBondContact CA-SG 3.48Å; C1481-C1490 HydrophobicContact CB-CB 3.72Å; C1481-C1490 WeakPolarHBondContact CB-SG 3.03Å; C1481-C1490 PolarHBondContact N-SG 2.87Å; C1481-C1490 WeakPolarHBondContact SG-CA 3.27Å; C1481-C1490 WeakPolarHBondContact SG-CB 3.41Å; C1481-C1490 CovalentContact SG-SG 2.03Å; C1481-C1490 PolarHBondContact SG-SG 2.97Å; C1481-N1502 VanDerWaalsContact CB-OD1 3.31Å; C1481-N1502 WeakPolarHBondContact CB-OD1 3.25Å; C1481-N1502 PolarHBondContact SG-OD1 3.37Å; C1481-N1502 VanDerWaalsContact SG-OD1 3.34Å |
| 1482 | K | 76.3 | Confident | 78.8 | Confident | 111 Ų | 111 | 57.3 Ų | 57.3 | 48% | 0.483 | 30% | 0.304 | S | S | . | . | P | Polyproline II helix | trans | -60.3 | 153 | 169.3 | -72.6 | 169.6 | 174.3 | 164.1 | 0 | 110.4 | G1469 G1484 F1485 | G1469-K1482 WeakPolarHBondContact O-CE 3.07Å; G1469-K1482 PolarHBondContact O-NZ 2.9Å; K1482-G1484 PolarHBondContact O-N 3.09Å; K1482-F1485 PolarHBondContact O-N 2.04Å; K1482-F1485 VanDerWaalsContact O-N 3.14Å |
| 1483 | P | 80.8 | Confident | 78.4 | Confident | 60 Ų | 60 | 65.8 Ų | 65.8 | 39% | 0.39 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.8 | 136.6 | 175.2 | -27.3 | 34.9 | 0 | 0 | 0 | 112.3 | G1500 V1501 A1517 | P1483-G1500 WeakPolarHBondContact CA-O 3.12Å; P1483-V1501 HydrophobicContact CG-CG2 4.02Å; P1483-A1517 HydrophobicContact CB-CB 4.1Å; P1483-A1517 WeakPolarHBondContact CB-O 3Å |
| 1484 | G | 77.9 | Confident | 78.3 | Confident | 5 Ų | 5 | 64.6 Ų | 64.6 | 5% | 0.052 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 91.5 | -5.6 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | K1482 R1493 C1494 G1500 S1516 | K1482-G1484 PolarHBondContact O-N 3.09Å; G1484-R1493 CarbonylContact O-C 3.37Å; G1484-R1493 WeakPolarHBondContact O-CA 3.35Å; G1484-C1494 VanDerWaalsContact CA-SG 3.5Å; G1484-C1494 PolarHBondContact O-N 2.96Å; G1484-C1494 PolarHBondContact O-SG 3.11Å; G1484-G1500 PolarHBondContact N-O 3.25Å; G1484-S1516 WeakPolarHBondContact CA-O 3.02Å; G1484-S1516 PolarHBondContact N-O 3.41Å |
| 1485 | F | 80.7 | Confident | 78.1 | Confident | 46 Ų | 46 | 70.4 Ų | 70.4 | 20% | 0.202 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 155.6 | -179.4 | -62.7 | -91.3 | 0 | 0 | 0 | 113.3 | N1468 C1481 K1482 C1490 S1492 R1493 N1502 | N1468-F1485 HydrophobicContact CB-CD1 4.16Å; N1468-F1485 HydrophobicContact CB-CE1 4.04Å; N1468-F1485 HydrophobicContact CB-CZ 4.29Å; N1468-F1485 VanDerWaalsContact CG-CE1 3.5Å; N1468-F1485 WeakPolarHBondContact ND2-CD1 3.04Å; N1468-F1485 WeakPolarHBondContact ND2-CE1 3.36Å; C1481-F1485 HydrophobicContact CB-CB 4.25Å; C1481-F1485 WeakPolarHBondContact CB-O 3.46Å; K1482-F1485 PolarHBondContact O-N 2.04Å; K1482-F1485 VanDerWaalsContact O-N 3.14Å; F1485-C1490 HydrophobicContact CB-CB 4.38Å; F1485-S1492 CarbonylContact C-O 3.31Å; F1485-S1492 WeakPolarHBondContact CA-O 3.39Å; F1485-R1493 HydrophobicContact CD1-CG 4.4Å; F1485-R1493 HydrophobicContact CE1-CG 4.05Å; F1485-N1502 WeakPolarHBondContact O-CA 3.33Å; F1485-N1502 PolarHBondContact O-N 3.29Å |
| 1486 | S | 77.7 | Confident | 77.7 | Confident | 28 Ų | 28 | 71.3 Ų | 71.3 | 20% | 0.196 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.9 | 171.3 | -175.7 | 59.8 | 0 | 0 | 0 | 0 | 111.4 | C1490 E1491 S1492 | S1486-C1490 CarbonylContact O-C 3.55Å; S1486-C1490 WeakPolarHBondContact O-CA 2.99Å; S1486-E1491 PolarHBondContact O-N 3.08Å; S1486-S1492 PolarHBondContact N-O 2.96Å; S1486-S1492 WeakPolarHBondContact O-CB 3.43Å; S1486-S1492 PolarHBondContact O-N 3.21Å; S1486-S1492 PolarHBondContact OG-O 2.93Å |
| 1487 | G | 75.7 | Confident | 77.1 | Confident | 36 Ų | 36 | 70.1 Ų | 70.1 | 37% | 0.371 | 36% | 0.359 | S | S | . | . | S | Bend | trans | 100.9 | 160.9 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | K1489 C1490 E1491 | G1487-K1489 PolarHBondContact O-N 3.27Å; G1487-K1489 VanDerWaalsContact O-N 3.13Å; G1487-C1490 PolarHBondContact O-N 3.11Å; G1487-E1491 VanDerWaalsContact C-OE2 3.24Å; G1487-E1491 WeakPolarHBondContact CA-OE2 3.37Å |
| 1488 | E | 72.4 | Confident | 77.4 | Confident | 145 Ų | 145 | 74.2 Ų | 74.2 | 68% | 0.678 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -25.1 | -174.5 | -74 | -68.2 | 118.2 | 0 | 0 | 113.2 | C1479 E1491 | C1479-E1488 PolarHBondContact SG-O 3.1Å; C1479-E1488 VanDerWaalsContact SG-O 3.41Å; E1488-E1491 PolarHBondContact N-OE2 3.47Å |
| 1489 | K | 75.1 | Confident | 77.5 | Confident | 105 Ų | 105 | 71.5 Ų | 71.5 | 46% | 0.457 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116 | 12.2 | 176.4 | -59.1 | -179.2 | -175.6 | 174.7 | 0 | 112.3 | N1465 L1467 G1487 E1491 | N1465-K1489 WeakPolarHBondContact O-CB 3.46Å; N1465-K1489 WeakPolarHBondContact O-CG 3.41Å; L1467-K1489 WeakPolarHBondContact CB-O 3.23Å; L1467-K1489 HydrophobicContact CG-CB 4.44Å; L1467-K1489 PolarHBondContact N-O 2.93Å; G1487-K1489 PolarHBondContact O-N 3.27Å; G1487-K1489 VanDerWaalsContact O-N 3.13Å; K1489-E1491 VanDerWaalsContact C-OE2 3.3Å; K1489-E1491 WeakPolarHBondContact CA-OE2 3.28Å; K1489-E1491 PolarHBondContact N-OE2 3.21Å; K1489-E1491 PolarHBondContact O-N 3.4Å |
| 1490 | C | 79.9 | Confident | 77 | Confident | 1 Ų | 1 | 71.2 Ų | 71.2 | 1% | 0.007 | 36% | 0.355 | C | S | . | . | S | Bend | trans | 59.4 | 31.1 | -172.8 | -48.6 | 0 | 0 | 0 | 0 | 114 | N1468 A1470 C1479 C1481 F1485 S1486 G1487 | N1468-C1490 PolarHBondContact ND2-O 3.22Å; A1470-C1490 HydrophobicContact CB-CB 4.01Å; A1470-C1490 WeakPolarHBondContact CB-SG 3.34Å; C1479-C1490 VanDerWaalsContact CB-SG 3.56Å; C1481-C1490 WeakPolarHBondContact CA-SG 3.48Å; C1481-C1490 HydrophobicContact CB-CB 3.72Å; C1481-C1490 WeakPolarHBondContact CB-SG 3.03Å; C1481-C1490 PolarHBondContact N-SG 2.87Å; C1481-C1490 WeakPolarHBondContact SG-CA 3.27Å; C1481-C1490 WeakPolarHBondContact SG-CB 3.41Å; C1481-C1490 CovalentContact SG-SG 2.03Å; C1481-C1490 PolarHBondContact SG-SG 2.97Å; F1485-C1490 HydrophobicContact CB-CB 4.38Å; S1486-C1490 CarbonylContact O-C 3.55Å; S1486-C1490 WeakPolarHBondContact O-CA 2.99Å; G1487-C1490 PolarHBondContact O-N 3.11Å |
| 1491 | E | 76.8 | Confident | 76.9 | Confident | 95 Ų | 95 | 69.9 Ų | 69.9 | 44% | 0.444 | 36% | 0.355 | S | S | . | . | trans | -75.1 | -26.9 | -175.2 | 66.2 | -88.7 | -142.1 | 0 | 0 | 114.1 | L1467 S1486 G1487 E1488 K1489 | L1467-E1491 HydrophobicContact CD1-CB 4.08Å; S1486-E1491 PolarHBondContact O-N 3.08Å; G1487-E1491 VanDerWaalsContact C-OE2 3.24Å; G1487-E1491 WeakPolarHBondContact CA-OE2 3.37Å; E1488-E1491 PolarHBondContact N-OE2 3.47Å; K1489-E1491 VanDerWaalsContact C-OE2 3.3Å; K1489-E1491 WeakPolarHBondContact CA-OE2 3.28Å; K1489-E1491 PolarHBondContact N-OE2 3.21Å; K1489-E1491 PolarHBondContact O-N 3.4Å | ||
| 1492 | S | 77.7 | Confident | 76.5 | Confident | 58 Ų | 58 | 72.8 Ų | 72.8 | 41% | 0.406 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 131.3 | -172.8 | -64.8 | 0 | 0 | 0 | 0 | 111.8 | F1485 S1486 | F1485-S1492 CarbonylContact C-O 3.31Å; F1485-S1492 WeakPolarHBondContact CA-O 3.39Å; S1486-S1492 PolarHBondContact N-O 2.96Å; S1486-S1492 WeakPolarHBondContact O-CB 3.43Å; S1486-S1492 PolarHBondContact O-N 3.21Å; S1486-S1492 PolarHBondContact OG-O 2.93Å |
| 1493 | R | 74 | Confident | 76.7 | Confident | 194 Ų | 194 | 68.1 Ų | 68.1 | 73% | 0.732 | 35% | 0.351 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 158.4 | 164.7 | -65 | -171.9 | -176.1 | -151.1 | 1.2 | 110.3 | G1484 F1485 | G1484-R1493 CarbonylContact O-C 3.37Å; G1484-R1493 WeakPolarHBondContact O-CA 3.35Å; F1485-R1493 HydrophobicContact CD1-CG 4.4Å; F1485-R1493 HydrophobicContact CE1-CG 4.05Å |
| 1494 | C | 78 | Confident | 76.6 | Confident | 14 Ų | 14 | 74.8 Ų | 74.8 | 10% | 0.095 | 37% | 0.368 | C | S | . | . | P | Polyproline II helix | trans | -57.7 | 144.8 | 175.2 | -62.4 | 0 | 0 | 0 | 0 | 112.8 | G1484 R1498 C1503 | G1484-C1494 VanDerWaalsContact CA-SG 3.5Å; G1484-C1494 PolarHBondContact O-N 2.96Å; G1484-C1494 PolarHBondContact O-SG 3.11Å; C1494-R1498 VanDerWaalsContact CB-O 3.29Å; C1494-R1498 WeakPolarHBondContact CB-O 3.05Å; C1494-C1503 WeakPolarHBondContact CA-SG 3.16Å; C1494-C1503 HydrophobicContact CB-CB 3.75Å; C1494-C1503 WeakPolarHBondContact CB-SG 3.05Å; C1494-C1503 VanDerWaalsContact SG-CA 3.58Å; C1494-C1503 WeakPolarHBondContact SG-CB 3.01Å; C1494-C1503 CovalentContact SG-SG 2.03Å; C1494-C1503 PolarHBondContact SG-SG 2.92Å |
| 1495 | Q | 74.4 | Confident | 76.6 | Confident | 137 Ų | 137 | 78.9 Ų | 78.9 | 64% | 0.64 | 39% | 0.388 | S | S | * | . | P | Polyproline II helix | trans | -63 | 154.7 | 166.3 | -66.4 | -63.4 | -27.1 | 0 | 0 | 110.2 | N1497 R1498 | Q1495-N1497 PolarHBondContact O-N 2.81Å; Q1495-R1498 PolarHBondContact O-N 3.05Å |
| 1496 | P | 72.6 | Confident | 76.5 | Confident | 109 Ų | 109 | 83 Ų | 83 | 71% | 0.708 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.9 | 140.9 | 177.7 | -28.3 | 35.8 | 0 | 0 | 0 | 112.9 | R1498 | P1496-R1498 VanDerWaalsContact C-N 3.25Å; P1496-R1498 PolarHBondContact O-N 2.83Å |
| 1497 | N | 71 | Confident | 76.5 | Confident | 65 Ų | 65 | 82.4 Ų | 82.4 | 35% | 0.348 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.5 | 21.9 | -179.2 | -57.8 | 0.8 | 0 | 0 | 0 | 115.6 | Q1495 E1506 C1507 | Q1495-N1497 PolarHBondContact O-N 2.81Å; N1497-E1506 WeakPolarHBondContact O-CA 3.25Å; N1497-C1507 HydrophobicContact CB-CB 4.38Å; N1497-C1507 PolarHBondContact O-N 3.03Å |
| 1498 | R | 83 | Confident | 76.4 | Confident | 99 Ų | 99 | 85.3 Ų | 85.3 | 37% | 0.374 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 145.9 | 166.6 | -66.9 | -174.2 | -176.3 | -74.9 | -13.7 | 112.2 | C1494 Q1495 P1496 C1503 L1505 E1506 | C1494-R1498 VanDerWaalsContact CB-O 3.29Å; C1494-R1498 WeakPolarHBondContact CB-O 3.05Å; Q1495-R1498 PolarHBondContact O-N 3.05Å; P1496-R1498 VanDerWaalsContact C-N 3.25Å; P1496-R1498 PolarHBondContact O-N 2.83Å; R1498-C1503 HydrophobicContact CB-CB 4.13Å; R1498-L1505 CarbonylContact C-O 3.32Å; R1498-L1505 VanDerWaalsContact CA-O 3.23Å; R1498-L1505 WeakPolarHBondContact CA-O 3.47Å; R1498-E1506 HydrophobicContact CG-CG 4.32Å; R1498-E1506 IonicContact CZ-OE1 3.92Å; R1498-E1506 IonicContact NH1-OE1 2.66Å; R1498-E1506 PolarHBondContact NH1-OE1 3.3Å; R1498-E1506 IonicContact NH2-OE1 3.49Å; R1498-E1506 PolarHBondContact NH2-OE1 2.95Å |
| 1499 | Y | 83 | Confident | 76.4 | Confident | 64 Ų | 64 | 78.4 Ų | 78.4 | 25% | 0.251 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 175.6 | -177.9 | 80.6 | -80.4 | 0 | 0 | 0 | 114.1 | C1503 R1504 L1505 E1506 C1507 S1516 T1518 G1519 | Y1499-C1503 CarbonylContact O-C 3.53Å; Y1499-C1503 VanDerWaalsContact O-C 3.32Å; Y1499-C1503 WeakPolarHBondContact O-CA 3.36Å; Y1499-R1504 PolarHBondContact O-N 2.9Å; Y1499-L1505 HydrophobicContact CD1-CB 3.59Å; Y1499-L1505 HydrophobicContact CD2-CB 4.34Å; Y1499-L1505 HydrophobicContact CD2-CD1 4.15Å; Y1499-L1505 HydrophobicContact CE1-CB 3.39Å; Y1499-L1505 HydrophobicContact CE1-CD1 4.24Å; Y1499-L1505 HydrophobicContact CE1-CG 4.45Å; Y1499-L1505 HydrophobicContact CE2-CB 4.15Å; Y1499-L1505 HydrophobicContact CE2-CD1 3.55Å; Y1499-L1505 HydrophobicContact CG-CB 4.1Å; Y1499-L1505 PolarHBondContact N-O 2.84Å; Y1499-L1505 PolarHBondContact O-N 3.28Å; Y1499-L1505 VanDerWaalsContact O-N 3.13Å; Y1499-E1506 WeakPolarHBondContact CE1-O 3.48Å; Y1499-C1507 WeakPolarHBondContact CD1-SG 3.36Å; Y1499-S1516 WeakPolarHBondContact CA-O 3Å; Y1499-S1516 WeakPolarHBondContact CB-O 3.21Å; Y1499-T1518 VanDerWaalsContact CD2-C 3.5Å; Y1499-T1518 WeakPolarHBondContact CE2-O 3.37Å; Y1499-G1519 VanDerWaalsContact CD2-N 3.3Å |
| 1500 | G | 74 | Confident | 76.2 | Confident | 8 Ų | 8 | 75.9 Ų | 75.9 | 8% | 0.082 | 38% | 0.383 | C | S | . | . | S | Bend | trans | 83.5 | -170.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | P1483 G1484 N1502 C1503 S1516 | P1483-G1500 WeakPolarHBondContact CA-O 3.12Å; G1484-G1500 PolarHBondContact N-O 3.25Å; G1500-N1502 PolarHBondContact O-N 2.95Å; G1500-C1503 PolarHBondContact O-N 2.03Å; G1500-C1503 VanDerWaalsContact O-N 3.11Å; G1500-S1516 PolarHBondContact N-O 2.85Å; G1500-S1516 VanDerWaalsContact N-O 3.16Å |
| 1501 | V | 75.3 | Confident | 75.8 | Confident | 84 Ų | 84 | 83.9 Ų | 83.9 | 51% | 0.509 | 43% | 0.425 | S | S | . | . | G | 310 helix | trans | -62.5 | 125.4 | 179.4 | 173.9 | 0 | 0 | 0 | 0 | 110 | P1483 C1503 R1504 | P1483-V1501 HydrophobicContact CG-CG2 4.02Å; V1501-C1503 PolarHBondContact O-N 3.4Å; V1501-C1503 VanDerWaalsContact O-N 3.12Å; V1501-R1504 PolarHBondContact O-N 2.82Å |
| 1502 | N | 71.2 | Confident | 75.5 | Confident | 65 Ų | 65 | 83.3 Ų | 83.3 | 35% | 0.348 | 42% | 0.422 | S | S | . | . | G | 310 helix | trans | 52 | 28.2 | -174.1 | -68.4 | -33.1 | 0 | 0 | 0 | 113.8 | C1481 F1485 G1500 R1504 | C1481-N1502 VanDerWaalsContact CB-OD1 3.31Å; C1481-N1502 WeakPolarHBondContact CB-OD1 3.25Å; C1481-N1502 PolarHBondContact SG-OD1 3.37Å; C1481-N1502 VanDerWaalsContact SG-OD1 3.34Å; F1485-N1502 WeakPolarHBondContact O-CA 3.33Å; F1485-N1502 PolarHBondContact O-N 3.29Å; G1500-N1502 PolarHBondContact O-N 2.95Å; N1502-R1504 PolarHBondContact O-N 3.16Å; N1502-R1504 VanDerWaalsContact O-N 3.12Å |
| 1503 | C | 79 | Confident | 75.4 | Confident | 12 Ų | 12 | 83.8 Ų | 83.8 | 8% | 0.081 | 43% | 0.425 | C | S | . | . | G | 310 helix | trans | 55.7 | 30.7 | 175 | -47.3 | 0 | 0 | 0 | 0 | 114.2 | C1494 R1498 Y1499 G1500 V1501 L1505 | C1494-C1503 WeakPolarHBondContact CA-SG 3.16Å; C1494-C1503 HydrophobicContact CB-CB 3.75Å; C1494-C1503 WeakPolarHBondContact CB-SG 3.05Å; C1494-C1503 VanDerWaalsContact SG-CA 3.58Å; C1494-C1503 WeakPolarHBondContact SG-CB 3.01Å; C1494-C1503 CovalentContact SG-SG 2.03Å; C1494-C1503 PolarHBondContact SG-SG 2.92Å; R1498-C1503 HydrophobicContact CB-CB 4.13Å; Y1499-C1503 CarbonylContact O-C 3.53Å; Y1499-C1503 VanDerWaalsContact O-C 3.32Å; Y1499-C1503 WeakPolarHBondContact O-CA 3.36Å; G1500-C1503 PolarHBondContact O-N 2.03Å; G1500-C1503 VanDerWaalsContact O-N 3.11Å; V1501-C1503 PolarHBondContact O-N 3.4Å; V1501-C1503 VanDerWaalsContact O-N 3.12Å; C1503-L1505 VanDerWaalsContact C-N 3.35Å; C1503-L1505 PolarHBondContact O-N 3.21Å |
| 1504 | R | 78.9 | Confident | 75.7 | Confident | 201 Ų | 201 | 75.1 Ų | 75.1 | 76% | 0.758 | 39% | 0.394 | S | S | * | . | trans | -79.5 | -13.9 | -170 | -165.7 | 176.9 | -70 | 173.1 | -3.1 | 113.9 | Y1499 V1501 N1502 | Y1499-R1504 PolarHBondContact O-N 2.9Å; V1501-R1504 PolarHBondContact O-N 2.82Å; N1502-R1504 PolarHBondContact O-N 3.16Å; N1502-R1504 VanDerWaalsContact O-N 3.12Å | ||
| 1505 | L | 79.1 | Confident | 75.7 | Confident | 90 Ų | 90 | 77.5 Ų | 77.5 | 47% | 0.471 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 147.6 | 178.7 | -56.7 | 174.3 | 0 | 0 | 0 | 110.4 | R1498 Y1499 C1503 | R1498-L1505 CarbonylContact C-O 3.32Å; R1498-L1505 VanDerWaalsContact CA-O 3.23Å; R1498-L1505 WeakPolarHBondContact CA-O 3.47Å; Y1499-L1505 HydrophobicContact CD1-CB 3.59Å; Y1499-L1505 HydrophobicContact CD2-CB 4.34Å; Y1499-L1505 HydrophobicContact CD2-CD1 4.15Å; Y1499-L1505 HydrophobicContact CE1-CB 3.39Å; Y1499-L1505 HydrophobicContact CE1-CD1 4.24Å; Y1499-L1505 HydrophobicContact CE1-CG 4.45Å; Y1499-L1505 HydrophobicContact CE2-CB 4.15Å; Y1499-L1505 HydrophobicContact CE2-CD1 3.55Å; Y1499-L1505 HydrophobicContact CG-CB 4.1Å; Y1499-L1505 PolarHBondContact N-O 2.84Å; Y1499-L1505 PolarHBondContact O-N 3.28Å; Y1499-L1505 VanDerWaalsContact O-N 3.13Å; C1503-L1505 VanDerWaalsContact C-N 3.35Å; C1503-L1505 PolarHBondContact O-N 3.21Å |
| 1506 | E | 77.6 | Confident | 75.9 | Confident | 132 Ų | 132 | 72.9 Ų | 72.9 | 62% | 0.617 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 144.9 | 175.9 | -72.6 | 176.6 | -168.3 | 0 | 0 | 111 | N1497 R1498 Y1499 | N1497-E1506 WeakPolarHBondContact O-CA 3.25Å; R1498-E1506 HydrophobicContact CG-CG 4.32Å; R1498-E1506 IonicContact CZ-OE1 3.92Å; R1498-E1506 IonicContact NH1-OE1 2.66Å; R1498-E1506 PolarHBondContact NH1-OE1 3.3Å; R1498-E1506 IonicContact NH2-OE1 3.49Å; R1498-E1506 PolarHBondContact NH2-OE1 2.95Å; Y1499-E1506 WeakPolarHBondContact CE1-O 3.48Å |
| 1507 | C | 77.3 | Confident | 75.9 | Confident | 17 Ų | 17 | 69.8 Ų | 69.8 | 12% | 0.115 | 37% | 0.372 | C | S | . | . | trans | -93 | 120.8 | -176.4 | -60.2 | 0 | 0 | 0 | 0 | 112.1 | N1497 Y1499 C1509 C1514 | N1497-C1507 HydrophobicContact CB-CB 4.38Å; N1497-C1507 PolarHBondContact O-N 3.03Å; Y1499-C1507 WeakPolarHBondContact CD1-SG 3.36Å; C1507-C1509 VanDerWaalsContact C-N 3.34Å; C1507-C1509 PolarHBondContact O-N 2.86Å; C1507-C1514 HydrophobicContact CB-CB 3.55Å; C1507-C1514 WeakPolarHBondContact CB-SG 3.39Å; C1507-C1514 WeakPolarHBondContact SG-CB 3.38Å; C1507-C1514 CovalentContact SG-SG 2.02Å; C1507-C1514 PolarHBondContact SG-SG 3.44Å | ||
| 1508 | D | 74.9 | Confident | 76.4 | Confident | 96 Ų | 96 | 70.8 Ų | 70.8 | 51% | 0.513 | 38% | 0.381 | S | S | . | . | trans | -88.6 | 67 | 173.9 | -175 | 12.7 | 0 | 0 | 0 | 111.1 | R1531 | D1508-R1531 VanDerWaalsContact CG-NE 3.27Å; D1508-R1531 WeakPolarHBondContact O-CG 3.23Å; D1508-R1531 IonicContact OD1-CZ 3.4Å; D1508-R1531 IonicContact OD1-NE 3.99Å; D1508-R1531 PolarHBondContact OD1-NE 3.43Å; D1508-R1531 IonicContact OD1-NH2 3.71Å; D1508-R1531 PolarHBondContact OD1-NH2 3.25Å; D1508-R1531 IonicContact OD2-CZ 2.99Å; D1508-R1531 VanDerWaalsContact OD2-CZ 3.29Å; D1508-R1531 IonicContact OD2-NE 2.71Å; D1508-R1531 PolarHBondContact OD2-NE 2.9Å; D1508-R1531 IonicContact OD2-NH2 3.46Å; D1508-R1531 PolarHBondContact OD2-NH2 2.89Å | ||
| 1509 | C | 70.8 | Confident | 76.1 | Confident | 1 Ų | 1 | 66.8 Ų | 66.8 | 1% | 0.007 | 37% | 0.37 | C | S | . | . | trans | -112.4 | 12 | -176.9 | -62.7 | 0 | 0 | 0 | 0 | 113.7 | C1507 N1511 F1512 C1521 | C1507-C1509 VanDerWaalsContact C-N 3.34Å; C1507-C1509 PolarHBondContact O-N 2.86Å; C1509-N1511 PolarHBondContact O-N 3.17Å; C1509-F1512 WeakPolarHBondContact CB-O 3.47Å; C1509-F1512 PolarHBondContact O-N 3.11Å; C1509-F1512 VanDerWaalsContact O-N 3.07Å; C1509-C1521 VanDerWaalsContact CA-SG 3.51Å; C1509-C1521 HydrophobicContact CB-CB 3.82Å; C1509-C1521 WeakPolarHBondContact CB-SG 3.23Å; C1509-C1521 WeakPolarHBondContact SG-CA 3.46Å; C1509-C1521 WeakPolarHBondContact SG-CB 3.34Å; C1509-C1521 CovalentContact SG-SG 2.04Å; C1509-C1521 PolarHBondContact SG-SG 3.25Å | ||
| 1510 | G | 72.3 | Confident | 75.8 | Confident | 52 Ų | 52 | 68.8 Ų | 68.8 | 54% | 0.536 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.3 | -121 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 1511 | N | 70.2 | Confident | 76.1 | Confident | 168 Ų | 168 | 69 Ų | 69 | 90% | 0.898 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88 | -1.6 | 177.3 | -76.1 | -13.2 | 0 | 0 | 0 | 113.9 | C1509 | C1509-N1511 PolarHBondContact O-N 3.17Š|
| 1512 | F | 71.7 | Confident | 76.1 | Confident | 84 Ų | 84 | 68.3 Ų | 68.3 | 37% | 0.368 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -95.9 | 149.7 | -178.7 | -57.6 | -70 | 0 | 0 | 0 | 111.6 | C1509 P1524 C1532 | C1509-F1512 WeakPolarHBondContact CB-O 3.47Å; C1509-F1512 PolarHBondContact O-N 3.11Å; C1509-F1512 VanDerWaalsContact O-N 3.07Å; F1512-P1524 HydrophobicContact CD1-CG 4.48Å; F1512-P1524 HydrophobicContact CE1-CG 3.8Å; F1512-P1524 HydrophobicContact CZ-CG 4Å; F1512-C1532 HydrophobicContact CD2-CB 3.75Å; F1512-C1532 HydrophobicContact CE2-CB 3.95Å |
| 1513 | S | 74.9 | Confident | 76.4 | Confident | 68 Ų | 68 | 65.3 Ų | 65.3 | 48% | 0.476 | 36% | 0.36 | S | S | . | . | P | Polyproline II helix | trans | -76.8 | 151.1 | 176.1 | 67 | 0 | 0 | 0 | 0 | 111.7 | N1522 | S1513-N1522 WeakPolarHBondContact O-CB 3.26Å; S1513-N1522 PolarHBondContact O-N 3.43Å; S1513-N1522 PolarHBondContact O-ND2 3.38Å; S1513-N1522 PolarHBondContact OG-ND2 3.11Å |
| 1514 | C | 79.6 | Confident | 76 | Confident | 11 Ų | 11 | 67 Ų | 67 | 7% | 0.074 | 37% | 0.371 | C | S | . | . | B | Isolated β-bridge | trans | -100.3 | 159.3 | 169 | 55 | 0 | 0 | 0 | 0 | 112.2 | C1507 Q1520 N1522 | C1507-C1514 HydrophobicContact CB-CB 3.55Å; C1507-C1514 WeakPolarHBondContact CB-SG 3.39Å; C1507-C1514 WeakPolarHBondContact SG-CB 3.38Å; C1507-C1514 CovalentContact SG-SG 2.02Å; C1507-C1514 PolarHBondContact SG-SG 3.44Å; C1514-Q1520 CarbonylContact C-O 3.59Å; C1514-Q1520 VanDerWaalsContact CA-O 3.31Å; C1514-Q1520 WeakPolarHBondContact CA-O 3.47Å; C1514-N1522 VanDerWaalsContact C-ND2 3.35Å |
| 1515 | D | 78.2 | Confident | 75.7 | Confident | 64 Ų | 64 | 62 Ų | 62 | 34% | 0.342 | 36% | 0.358 | S | S | . | . | P | Polyproline II helix | trans | -64.7 | 132.8 | 159.6 | 177.5 | -94.3 | 0 | 0 | 0 | 110.7 | A1517 T1518 G1519 Q1520 | D1515-A1517 VanDerWaalsContact C-N 3.31Å; D1515-A1517 PolarHBondContact O-N 3.39Å; D1515-A1517 WeakPolarHBondContact OD1-CA 3.34Å; D1515-A1517 WeakPolarHBondContact OD1-CB 3.23Å; D1515-A1517 PolarHBondContact OD1-N 2.86Å; D1515-T1518 PolarHBondContact OD1-N 2.78Å; D1515-T1518 PolarHBondContact OD1-OG1 2.84Å; D1515-G1519 VanDerWaalsContact O-CA 3.3Å; D1515-G1519 WeakPolarHBondContact O-CA 3.4Å; D1515-G1519 PolarHBondContact O-N 2.94Å; D1515-Q1520 PolarHBondContact N-O 2.04Å |
| 1516 | S | 78.8 | Confident | 75.3 | Confident | 40 Ų | 40 | 57.7 Ų | 57.7 | 28% | 0.28 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -20.3 | -174.1 | -49.7 | 0 | 0 | 0 | 0 | 114.1 | G1484 Y1499 G1500 | G1484-S1516 WeakPolarHBondContact CA-O 3.02Å; G1484-S1516 PolarHBondContact N-O 3.41Å; Y1499-S1516 WeakPolarHBondContact CA-O 3Å; Y1499-S1516 WeakPolarHBondContact CB-O 3.21Å; G1500-S1516 PolarHBondContact N-O 2.85Å; G1500-S1516 VanDerWaalsContact N-O 3.16Å |
| 1517 | A | 73.7 | Confident | 75.3 | Confident | 44 Ų | 44 | 54.7 Ų | 54.7 | 36% | 0.364 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | -45.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | P1483 D1515 | P1483-A1517 HydrophobicContact CB-CB 4.1Å; P1483-A1517 WeakPolarHBondContact CB-O 3Å; D1515-A1517 VanDerWaalsContact C-N 3.31Å; D1515-A1517 PolarHBondContact O-N 3.39Å; D1515-A1517 WeakPolarHBondContact OD1-CA 3.34Å; D1515-A1517 WeakPolarHBondContact OD1-CB 3.23Å; D1515-A1517 PolarHBondContact OD1-N 2.86Å |
| 1518 | T | 80.8 | Confident | 75.3 | Confident | 87 Ų | 87 | 56.1 Ų | 56.1 | 53% | 0.534 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | -24.6 | -174.4 | 68.4 | 0 | 0 | 0 | 0 | 114.3 | Y1499 D1515 Q1520 | Y1499-T1518 VanDerWaalsContact CD2-C 3.5Å; Y1499-T1518 WeakPolarHBondContact CE2-O 3.37Å; D1515-T1518 PolarHBondContact OD1-N 2.78Å; D1515-T1518 PolarHBondContact OD1-OG1 2.84Å; T1518-Q1520 VanDerWaalsContact C-N 3.25Å; T1518-Q1520 WeakPolarHBondContact OG1-CB 3.49Å; T1518-Q1520 PolarHBondContact OG1-N 3.26Å |
| 1519 | G | 76 | Confident | 75.2 | Confident | 14 Ų | 14 | 52.5 Ų | 52.5 | 14% | 0.144 | 32% | 0.315 | C | S | . | . | trans | 79.7 | 0.1 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y1499 D1515 | Y1499-G1519 VanDerWaalsContact CD2-N 3.3Å; D1515-G1519 VanDerWaalsContact O-CA 3.3Å; D1515-G1519 WeakPolarHBondContact O-CA 3.4Å; D1515-G1519 PolarHBondContact O-N 2.94Å | ||
| 1520 | Q | 78.2 | Confident | 75 | Confident | 106 Ų | 106 | 57.2 Ų | 57.2 | 50% | 0.495 | 35% | 0.345 | S | S | . | . | trans | -66.5 | 133.1 | 179.4 | -175.1 | 172.6 | -21.6 | 0 | 0 | 110.9 | C1514 D1515 T1518 N1544 | C1514-Q1520 CarbonylContact C-O 3.59Å; C1514-Q1520 VanDerWaalsContact CA-O 3.31Å; C1514-Q1520 WeakPolarHBondContact CA-O 3.47Å; D1515-Q1520 PolarHBondContact N-O 2.04Å; T1518-Q1520 VanDerWaalsContact C-N 3.25Å; T1518-Q1520 WeakPolarHBondContact OG1-CB 3.49Å; T1518-Q1520 PolarHBondContact OG1-N 3.26Å; Q1520-N1544 PolarHBondContact NE2-ND2 3.48Å | ||
| 1521 | C | 80.4 | Confident | 75 | Confident | 14 Ų | 14 | 61.5 Ų | 61.5 | 10% | 0.095 | 35% | 0.345 | C | S | . | . | B | Isolated β-bridge | trans | -70.2 | 137.5 | -179.5 | -52.8 | 0 | 0 | 0 | 0 | 111.9 | C1509 C1523 P1530 C1532 N1544 | C1509-C1521 VanDerWaalsContact CA-SG 3.51Å; C1509-C1521 HydrophobicContact CB-CB 3.82Å; C1509-C1521 WeakPolarHBondContact CB-SG 3.23Å; C1509-C1521 WeakPolarHBondContact SG-CA 3.46Å; C1509-C1521 WeakPolarHBondContact SG-CB 3.34Å; C1509-C1521 CovalentContact SG-SG 2.04Å; C1509-C1521 PolarHBondContact SG-SG 3.25Å; C1521-C1523 PolarHBondContact O-N 3.18Å; C1521-P1530 PolarHBondContact SG-O 3.35Å; C1521-C1532 VanDerWaalsContact CB-SG 3.59Å; C1521-N1544 PolarHBondContact O-OD1 3.4Å |
| 1522 | N | 74.2 | Confident | 75.3 | Confident | 68 Ų | 68 | 53.7 Ų | 53.7 | 36% | 0.364 | 30% | 0.304 | S | S | . | . | trans | -85.7 | 79.7 | 175.5 | -62.9 | -50.4 | 0 | 0 | 0 | 109.4 | S1513 C1514 | S1513-N1522 WeakPolarHBondContact O-CB 3.26Å; S1513-N1522 PolarHBondContact O-N 3.43Å; S1513-N1522 PolarHBondContact O-ND2 3.38Å; S1513-N1522 PolarHBondContact OG-ND2 3.11Å; C1514-N1522 VanDerWaalsContact C-ND2 3.35Å | ||
| 1523 | C | 77.1 | Confident | 75.6 | Confident | 3 Ų | 3 | 54.4 Ų | 54.4 | 2% | 0.02 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -72.7 | 138.8 | -175.6 | -55.6 | 0 | 0 | 0 | 0 | 111.9 | C1521 F1527 C1532 L1543 N1544 | C1521-C1523 PolarHBondContact O-N 3.18Å; C1523-F1527 HydrophobicContact CB-CB 4.28Å; C1523-F1527 WeakPolarHBondContact CB-O 3.49Å; C1523-C1532 WeakPolarHBondContact CA-SG 3.35Å; C1523-C1532 HydrophobicContact CB-CB 3.61Å; C1523-C1532 WeakPolarHBondContact CB-SG 3.22Å; C1523-C1532 WeakPolarHBondContact SG-CA 3.48Å; C1523-C1532 WeakPolarHBondContact SG-CB 3.46Å; C1523-C1532 CovalentContact SG-SG 2.04Å; C1523-C1532 PolarHBondContact SG-SG 3.34Å; C1523-L1543 WeakPolarHBondContact O-CD1 3.23Å; C1523-N1544 VanDerWaalsContact CB-OD1 3.3Å; C1523-N1544 WeakPolarHBondContact CB-OD1 3.49Å; C1523-N1544 PolarHBondContact N-OD1 3.5Å |
| 1524 | P | 71.1 | Confident | 75.7 | Confident | 48 Ų | 48 | 54.6 Ų | 54.6 | 31% | 0.312 | 30% | 0.304 | S | S | . | . | P | Polyproline II helix | trans | -62.8 | 160 | 175.3 | 27 | -33.9 | 0 | 0 | 0 | 111.4 | F1512 G1526 F1527 | F1512-P1524 HydrophobicContact CD1-CG 4.48Å; F1512-P1524 HydrophobicContact CE1-CG 3.8Å; F1512-P1524 HydrophobicContact CZ-CG 4Å; P1524-G1526 PolarHBondContact O-N 3.48Å; P1524-F1527 HydrophobicContact CG-CB 4.36Å; P1524-F1527 HydrophobicContact CG-CD2 3.9Å; P1524-F1527 HydrophobicContact CG-CG 4.39Å; P1524-F1527 PolarHBondContact O-N 3.13Å |
| 1525 | L | 72.8 | Confident | 75.5 | Confident | 95 Ų | 95 | 58.4 Ų | 58.4 | 50% | 0.497 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.1 | 131.5 | 179.3 | -60.4 | 176.5 | 0 | 0 | 0 | 111.2 | F1560 | L1525-F1560 VanDerWaalsContact O-CD1 3.3Å; L1525-F1560 WeakPolarHBondContact O-CD1 3.03Å |
| 1526 | G | 70.1 | Confident | 75.5 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 89.3 | -8.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | P1524 C1536 G1542 M1559 | P1524-G1526 PolarHBondContact O-N 3.48Å; G1526-C1536 WeakPolarHBondContact CA-SG 3.36Å; G1526-C1536 PolarHBondContact O-N 2.8Å; G1526-C1536 PolarHBondContact O-SG 2.8Å; G1526-G1542 PolarHBondContact N-O 3.42Å; G1526-M1559 WeakPolarHBondContact O-CE 3.03Å |
| 1527 | F | 77.4 | Confident | 75.2 | Confident | 69 Ų | 69 | 64.4 Ų | 64.4 | 30% | 0.303 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 151.8 | -178.2 | -65.6 | -90.2 | 0 | 0 | 0 | 113 | C1523 P1524 C1532 D1534 F1560 | C1523-F1527 HydrophobicContact CB-CB 4.28Å; C1523-F1527 WeakPolarHBondContact CB-O 3.49Å; P1524-F1527 HydrophobicContact CG-CB 4.36Å; P1524-F1527 HydrophobicContact CG-CD2 3.9Å; P1524-F1527 HydrophobicContact CG-CG 4.39Å; P1524-F1527 PolarHBondContact O-N 3.13Å; F1527-C1532 WeakPolarHBondContact CD1-O 3.25Å; F1527-D1534 CarbonylContact C-O 3.44Å; F1527-D1534 WeakPolarHBondContact CA-O 3.29Å; F1527-F1560 AromaticContact CE2-CE1 3.97Å; F1527-F1560 HydrophobicContact CE2-CE1 3.97Å |
| 1528 | T | 77.7 | Confident | 75.3 | Confident | 46 Ų | 46 | 68.7 Ų | 68.7 | 28% | 0.282 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | -170.3 | 179.2 | -166.7 | 0 | 0 | 0 | 0 | 110.2 | C1532 Q1533 D1534 N1544 | T1528-C1532 CarbonylContact O-C 3.44Å; T1528-C1532 VanDerWaalsContact O-C 3.25Å; T1528-C1532 VanDerWaalsContact O-CA 3.25Å; T1528-C1532 WeakPolarHBondContact O-CA 3.45Å; T1528-Q1533 PolarHBondContact O-N 2.95Å; T1528-D1534 HydrophobicContact CG2-CB 4.07Å; T1528-D1534 PolarHBondContact N-O 2.03Å; T1528-D1534 WeakPolarHBondContact O-CB 3.32Å; T1528-D1534 PolarHBondContact O-N 3.38Å; T1528-N1544 PolarHBondContact OG1-O 3.33Å |
| 1529 | G | 72.2 | Confident | 75 | Confident | 21 Ų | 21 | 66 Ų | 66 | 22% | 0.216 | 36% | 0.357 | C | S | . | . | S | Bend | trans | 85.4 | 167 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | R1531 C1532 D1534 | G1529-R1531 VanDerWaalsContact C-N 3.27Å; G1529-R1531 PolarHBondContact O-N 2.87Å; G1529-R1531 VanDerWaalsContact O-N 3.13Å; G1529-C1532 PolarHBondContact O-N 3.05Å; G1529-D1534 WeakPolarHBondContact CA-OD2 3.23Å |
| 1530 | P | 67.9 | Low | 75.2 | Confident | 99 Ų | 99 | 70.4 Ų | 70.4 | 64% | 0.643 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -24.1 | -166.5 | 22.5 | -35 | 0 | 0 | 0 | 115.6 | C1521 | C1521-P1530 PolarHBondContact SG-O 3.35Š|
| 1531 | R | 71.3 | Confident | 75.3 | Confident | 142 Ų | 142 | 68.2 Ų | 68.2 | 54% | 0.536 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.8 | 22.3 | 174 | -65.4 | -178.2 | 173.3 | 159.3 | 0.9 | 112.4 | D1508 G1529 Q1533 | D1508-R1531 VanDerWaalsContact CG-NE 3.27Å; D1508-R1531 WeakPolarHBondContact O-CG 3.23Å; D1508-R1531 IonicContact OD1-CZ 3.4Å; D1508-R1531 IonicContact OD1-NE 3.99Å; D1508-R1531 PolarHBondContact OD1-NE 3.43Å; D1508-R1531 IonicContact OD1-NH2 3.71Å; D1508-R1531 PolarHBondContact OD1-NH2 3.25Å; D1508-R1531 IonicContact OD2-CZ 2.99Å; D1508-R1531 VanDerWaalsContact OD2-CZ 3.29Å; D1508-R1531 IonicContact OD2-NE 2.71Å; D1508-R1531 PolarHBondContact OD2-NE 2.9Å; D1508-R1531 IonicContact OD2-NH2 3.46Å; D1508-R1531 PolarHBondContact OD2-NH2 2.89Å; G1529-R1531 VanDerWaalsContact C-N 3.27Å; G1529-R1531 PolarHBondContact O-N 2.87Å; G1529-R1531 VanDerWaalsContact O-N 3.13Å; R1531-Q1533 PolarHBondContact O-N 3.34Å |
| 1532 | C | 76.5 | Confident | 74.7 | Confident | 5 Ų | 5 | 67.8 Ų | 67.8 | 3% | 0.034 | 36% | 0.355 | C | S | . | . | S | Bend | trans | 57.8 | 24.8 | -172.8 | -53.1 | 0 | 0 | 0 | 0 | 114.6 | F1512 C1521 C1523 F1527 T1528 G1529 | F1512-C1532 HydrophobicContact CD2-CB 3.75Å; F1512-C1532 HydrophobicContact CE2-CB 3.95Å; C1521-C1532 VanDerWaalsContact CB-SG 3.59Å; C1523-C1532 WeakPolarHBondContact CA-SG 3.35Å; C1523-C1532 HydrophobicContact CB-CB 3.61Å; C1523-C1532 WeakPolarHBondContact CB-SG 3.22Å; C1523-C1532 WeakPolarHBondContact SG-CA 3.48Å; C1523-C1532 WeakPolarHBondContact SG-CB 3.46Å; C1523-C1532 CovalentContact SG-SG 2.04Å; C1523-C1532 PolarHBondContact SG-SG 3.34Å; F1527-C1532 WeakPolarHBondContact CD1-O 3.25Å; T1528-C1532 CarbonylContact O-C 3.44Å; T1528-C1532 VanDerWaalsContact O-C 3.25Å; T1528-C1532 VanDerWaalsContact O-CA 3.25Å; T1528-C1532 WeakPolarHBondContact O-CA 3.45Å; G1529-C1532 PolarHBondContact O-N 3.05Å |
| 1533 | Q | 78.8 | Confident | 74.6 | Confident | 98 Ų | 98 | 69.2 Ų | 69.2 | 46% | 0.458 | 36% | 0.361 | S | S | . | . | trans | -88.9 | -15.2 | -175.5 | 83.1 | -63.5 | -25.5 | 0 | 0 | 114 | T1528 R1531 | T1528-Q1533 PolarHBondContact O-N 2.95Å; R1531-Q1533 PolarHBondContact O-N 3.34Å | ||
| 1534 | D | 78 | Confident | 74.2 | Confident | 73 Ų | 73 | 70.2 Ų | 70.2 | 39% | 0.39 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 134.6 | -175.4 | -59.5 | -34.8 | 0 | 0 | 0 | 111.1 | F1527 T1528 G1529 | F1527-D1534 CarbonylContact C-O 3.44Å; F1527-D1534 WeakPolarHBondContact CA-O 3.29Å; T1528-D1534 HydrophobicContact CG2-CB 4.07Å; T1528-D1534 PolarHBondContact N-O 2.03Å; T1528-D1534 WeakPolarHBondContact O-CB 3.32Å; T1528-D1534 PolarHBondContact O-N 3.38Å; G1529-D1534 WeakPolarHBondContact CA-OD2 3.23Å |
| 1535 | V | 74.3 | Confident | 74.4 | Confident | 90 Ų | 90 | 68.4 Ų | 68.4 | 55% | 0.545 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 140.3 | 175 | 175.7 | 0 | 0 | 0 | 0 | 109.9 | R1537 M1559 | V1535-R1537 PolarHBondContact O-N 2.93Å; V1535-M1559 HydrophobicContact CG1-CE 3.65Å; V1535-M1559 HydrophobicContact CG1-SD 3.59Å; V1535-M1559 VanDerWaalsContact CG1-SD 3.59Å |
| 1536 | C | 77.3 | Confident | 74.5 | Confident | 10 Ų | 10 | 70.1 Ų | 70.1 | 7% | 0.068 | 36% | 0.36 | C | S | . | . | P | Polyproline II helix | trans | -51.6 | 132.4 | 176.2 | -67.3 | 0 | 0 | 0 | 0 | 112.4 | G1526 R1540 C1545 M1559 | G1526-C1536 WeakPolarHBondContact CA-SG 3.36Å; G1526-C1536 PolarHBondContact O-N 2.8Å; G1526-C1536 PolarHBondContact O-SG 2.8Å; C1536-R1540 WeakPolarHBondContact CB-O 3.38Å; C1536-C1545 WeakPolarHBondContact CA-SG 3.2Å; C1536-C1545 HydrophobicContact CB-CB 3.88Å; C1536-C1545 WeakPolarHBondContact CB-SG 3.14Å; C1536-C1545 WeakPolarHBondContact SG-CB 3.34Å; C1536-C1545 CovalentContact SG-SG 2.03Å; C1536-C1545 PolarHBondContact SG-SG 2.75Å; C1536-M1559 HydrophobicContact CB-CB 4.14Å |
| 1537 | R | 74.2 | Confident | 74.7 | Confident | 220 Ų | 220 | 74.4 Ų | 74.4 | 83% | 0.83 | 38% | 0.383 | S | S | * | . | P | Polyproline II helix | trans | -62.2 | 142 | 170.8 | -68.4 | -175 | -178.2 | 175.8 | 1.9 | 110.4 | V1535 G1539 R1540 | V1535-R1537 PolarHBondContact O-N 2.93Å; R1537-G1539 PolarHBondContact O-N 2.88Å; R1537-R1540 PolarHBondContact O-N 3.38Å; R1537-R1540 VanDerWaalsContact O-N 3.07Å |
| 1538 | S | 74.4 | Confident | 74.8 | Confident | 134 Ų | 134 | 74.6 Ų | 74.6 | 94% | 0.937 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -44.7 | 126.5 | 179.6 | -52.2 | 0 | 0 | 0 | 0 | 112.6 | ||
| 1539 | G | 74.3 | Confident | 74.8 | Confident | 31 Ų | 31 | 73.5 Ų | 73.5 | 32% | 0.32 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.6 | 2.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | R1537 C1549 | R1537-G1539 PolarHBondContact O-N 2.88Å; G1539-C1549 PolarHBondContact O-N 2.93Å |
| 1540 | R | 80.7 | Confident | 75.1 | Confident | 106 Ų | 106 | 79.8 Ų | 79.8 | 40% | 0.4 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 150.5 | 171.7 | -75.8 | 177.5 | 163.4 | -78.9 | -5.5 | 112.7 | C1536 R1537 C1545 E1546 L1547 | C1536-R1540 WeakPolarHBondContact CB-O 3.38Å; R1537-R1540 PolarHBondContact O-N 3.38Å; R1537-R1540 VanDerWaalsContact O-N 3.07Å; R1540-C1545 HydrophobicContact CB-CB 4.23Å; R1540-C1545 WeakPolarHBondContact CD-O 3.47Å; R1540-C1545 PolarHBondContact NH1-O 2.56Å; R1540-E1546 VanDerWaalsContact NH1-C 3.28Å; R1540-E1546 PolarHBondContact NH1-O 3.43Å; R1540-L1547 CarbonylContact C-O 3.49Å; R1540-L1547 VanDerWaalsContact CA-O 3.23Å; R1540-L1547 WeakPolarHBondContact CA-O 3.34Å |
| 1541 | Y | 80.6 | Confident | 75.7 | Confident | 61 Ų | 61 | 76.6 Ų | 76.6 | 24% | 0.239 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | -178.4 | -178.3 | 76.2 | -79.2 | 0 | 0 | 0 | 111.6 | C1545 L1547 M1559 G1562 | Y1541-C1545 CarbonylContact O-C 3.46Å; Y1541-C1545 WeakPolarHBondContact O-CA 3.42Å; Y1541-L1547 HydrophobicContact CD1-CB 3.88Å; Y1541-L1547 HydrophobicContact CD2-CB 4.37Å; Y1541-L1547 HydrophobicContact CD2-CD1 4.23Å; Y1541-L1547 HydrophobicContact CE1-CB 3.6Å; Y1541-L1547 HydrophobicContact CE2-CB 4.12Å; Y1541-L1547 HydrophobicContact CE2-CD1 3.63Å; Y1541-L1547 HydrophobicContact CG-CB 4.26Å; Y1541-L1547 PolarHBondContact N-O 3.49Å; Y1541-L1547 WeakPolarHBondContact O-CB 3.22Å; Y1541-L1547 PolarHBondContact O-N 2.75Å; Y1541-L1547 VanDerWaalsContact O-N 3.12Å; Y1541-M1559 WeakPolarHBondContact CA-O 3.02Å; Y1541-M1559 VanDerWaalsContact CB-O 3.32Å; Y1541-M1559 WeakPolarHBondContact CB-O 3.29Å; Y1541-G1562 VanDerWaalsContact CD2-CA 3.4Å; Y1541-G1562 VanDerWaalsContact CD2-N 3.35Å |
| 1542 | G | 68.1 | Low | 75.9 | Confident | 5 Ų | 5 | 75 Ų | 75 | 5% | 0.052 | 38% | 0.382 | C | S | . | . | S | Bend | trans | 89.5 | -168.7 | 176 | 0 | 0 | 0 | 0 | 0 | 113.7 | G1526 C1545 | G1526-G1542 PolarHBondContact N-O 3.42Å; G1542-C1545 PolarHBondContact O-N 3.13Å |
| 1543 | L | 72.3 | Confident | 75.6 | Confident | 97 Ų | 97 | 77.3 Ų | 77.3 | 51% | 0.508 | 40% | 0.395 | S | S | . | . | G | 310 helix | trans | -64.7 | 133 | 175 | -158.2 | 80.2 | 0 | 0 | 0 | 108.9 | C1523 C1545 E1546 | C1523-L1543 WeakPolarHBondContact O-CD1 3.23Å; L1543-C1545 PolarHBondContact O-N 3.44Å; L1543-E1546 PolarHBondContact O-N 3.05Å |
| 1544 | N | 69 | Low | 75 | Confident | 25 Ų | 25 | 74.7 Ų | 74.7 | 13% | 0.134 | 39% | 0.394 | C | S | . | . | G | 310 helix | trans | 51.9 | 13.9 | -176.4 | -63.6 | -19.8 | 0 | 0 | 0 | 116 | Q1520 C1521 C1523 T1528 E1546 | Q1520-N1544 PolarHBondContact NE2-ND2 3.48Å; C1521-N1544 PolarHBondContact O-OD1 3.4Å; C1523-N1544 VanDerWaalsContact CB-OD1 3.3Å; C1523-N1544 WeakPolarHBondContact CB-OD1 3.49Å; C1523-N1544 PolarHBondContact N-OD1 3.5Å; T1528-N1544 PolarHBondContact OG1-O 3.33Å; N1544-E1546 HydrophobicContact CB-CG 4.3Å |
| 1545 | C | 73.9 | Confident | 74.8 | Confident | 9 Ų | 9 | 72 Ų | 72 | 6% | 0.061 | 38% | 0.382 | C | S | . | . | G | 310 helix | trans | 63.7 | 26.9 | -173.9 | -45 | 0 | 0 | 0 | 0 | 115.7 | C1536 R1540 Y1541 G1542 L1543 L1547 | C1536-C1545 WeakPolarHBondContact CA-SG 3.2Å; C1536-C1545 HydrophobicContact CB-CB 3.88Å; C1536-C1545 WeakPolarHBondContact CB-SG 3.14Å; C1536-C1545 WeakPolarHBondContact SG-CB 3.34Å; C1536-C1545 CovalentContact SG-SG 2.03Å; C1536-C1545 PolarHBondContact SG-SG 2.75Å; R1540-C1545 HydrophobicContact CB-CB 4.23Å; R1540-C1545 WeakPolarHBondContact CD-O 3.47Å; R1540-C1545 PolarHBondContact NH1-O 2.56Å; Y1541-C1545 CarbonylContact O-C 3.46Å; Y1541-C1545 WeakPolarHBondContact O-CA 3.42Å; G1542-C1545 PolarHBondContact O-N 3.13Å; L1543-C1545 PolarHBondContact O-N 3.44Å; C1545-L1547 PolarHBondContact O-N 2.04Å |
| 1546 | E | 75.1 | Confident | 74.8 | Confident | 131 Ų | 131 | 75.8 Ų | 75.8 | 61% | 0.612 | 39% | 0.386 | S | S | * | . | trans | -70.7 | -28.6 | -175.5 | -69.5 | -176.6 | -173.8 | 0 | 0 | 114.2 | R1540 L1543 N1544 | R1540-E1546 VanDerWaalsContact NH1-C 3.28Å; R1540-E1546 PolarHBondContact NH1-O 3.43Å; L1543-E1546 PolarHBondContact O-N 3.05Å; N1544-E1546 HydrophobicContact CB-CG 4.3Å | ||
| 1547 | L | 74.5 | Confident | 75 | Confident | 91 Ų | 91 | 76.8 Ų | 76.8 | 48% | 0.476 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 136.2 | -176.9 | -55.3 | 176.1 | 0 | 0 | 0 | 111.6 | R1540 Y1541 C1545 | R1540-L1547 CarbonylContact C-O 3.49Å; R1540-L1547 VanDerWaalsContact CA-O 3.23Å; R1540-L1547 WeakPolarHBondContact CA-O 3.34Å; Y1541-L1547 HydrophobicContact CD1-CB 3.88Å; Y1541-L1547 HydrophobicContact CD2-CB 4.37Å; Y1541-L1547 HydrophobicContact CD2-CD1 4.23Å; Y1541-L1547 HydrophobicContact CE1-CB 3.6Å; Y1541-L1547 HydrophobicContact CE2-CB 4.12Å; Y1541-L1547 HydrophobicContact CE2-CD1 3.63Å; Y1541-L1547 HydrophobicContact CG-CB 4.26Å; Y1541-L1547 PolarHBondContact N-O 3.49Å; Y1541-L1547 WeakPolarHBondContact O-CB 3.22Å; Y1541-L1547 PolarHBondContact O-N 2.75Å; Y1541-L1547 VanDerWaalsContact O-N 3.12Å; C1545-L1547 PolarHBondContact O-N 2.04Å |
| 1548 | S | 79.8 | Confident | 75.1 | Confident | 72 Ų | 72 | 68.7 Ų | 68.7 | 50% | 0.503 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 134.1 | 174.2 | -61 | 0 | 0 | 0 | 0 | 111.4 | ||
| 1549 | C | 78.1 | Confident | 74.8 | Confident | 23 Ų | 23 | 64.3 Ų | 64.3 | 16% | 0.155 | 33% | 0.331 | C | S | . | . | P | Polyproline II helix | trans | -69 | 150.7 | 171.6 | -92.9 | 0 | 0 | 0 | 0 | 112.1 | G1539 C1557 G1562 | G1539-C1549 PolarHBondContact O-N 2.93Å; C1549-C1557 HydrophobicContact CB-CB 3.55Å; C1549-C1557 WeakPolarHBondContact CB-SG 3.35Å; C1549-C1557 WeakPolarHBondContact SG-CB 3.45Å; C1549-C1557 CovalentContact SG-SG 2.03Å; C1549-C1557 PolarHBondContact SG-SG 3.33Å; C1549-G1562 PolarHBondContact SG-O 2.7Å |
| 1550 | K | 78.8 | Confident | 74.7 | Confident | 153 Ų | 153 | 67.2 Ų | 67.2 | 67% | 0.665 | 34% | 0.335 | S | S | * | . | trans | -120.8 | 59.7 | 171.5 | -69.3 | -169.8 | 177.6 | -176.7 | 0 | 110.7 | Y1552 T1574 | K1550-Y1552 HydrophobicContact CB-CE2 4.15Å; K1550-Y1552 WeakPolarHBondContact O-CD2 3.41Å; K1550-Y1552 WeakPolarHBondContact O-CE2 3.02Å; K1550-T1574 WeakPolarHBondContact O-CB 3.43Å; K1550-T1574 WeakPolarHBondContact O-CG2 3.34Å | ||
| 1551 | C | 79.3 | Confident | 74.5 | Confident | 33 Ų | 33 | 66.1 Ų | 66.1 | 22% | 0.223 | 34% | 0.341 | C | S | . | . | trans | -92.2 | 136.6 | 174.8 | -52.2 | 0 | 0 | 0 | 0 | 109.7 | A1555 C1564 | C1551-A1555 HydrophobicContact CB-CB 4.04Å; C1551-A1555 WeakPolarHBondContact CB-O 2.99Å; C1551-C1564 WeakPolarHBondContact CA-SG 3Å; C1551-C1564 HydrophobicContact CB-CB 3.79Å; C1551-C1564 WeakPolarHBondContact CB-SG 3.5Å; C1551-C1564 WeakPolarHBondContact SG-CB 3.47Å; C1551-C1564 CovalentContact SG-SG 2.04Å; C1551-C1564 PolarHBondContact SG-SG 2.03Å | ||
| 1552 | Y | 76.4 | Confident | 74.2 | Confident | 107 Ų | 107 | 63.9 Ų | 63.9 | 42% | 0.42 | 34% | 0.337 | S | S | . | . | trans | -117.4 | 174.8 | -178.6 | -64.5 | -97.7 | 0 | 0 | 0 | 111 | K1550 G1554 A1555 T1574 Q1576 | K1550-Y1552 HydrophobicContact CB-CE2 4.15Å; K1550-Y1552 WeakPolarHBondContact O-CD2 3.41Å; K1550-Y1552 WeakPolarHBondContact O-CE2 3.02Å; Y1552-G1554 VanDerWaalsContact C-N 3.3Å; Y1552-G1554 PolarHBondContact O-N 2.91Å; Y1552-A1555 WeakPolarHBondContact O-CB 3Å; Y1552-A1555 PolarHBondContact O-N 3.34Å; Y1552-T1574 PolarHBondContact N-O 2.84Å; Y1552-Q1576 VanDerWaalsContact CD2-CD 3.47Å; Y1552-Q1576 HydrophobicContact CD2-CG 3.62Å; Y1552-Q1576 HydrophobicContact CE2-CG 4.41Å; Y1552-Q1576 HydrophobicContact CG-CG 3.72Å | ||
| 1553 | N | 69.9 | Low | 74.6 | Confident | 54 Ų | 54 | 70.1 Ų | 70.1 | 29% | 0.289 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.3 | 39.1 | 172.8 | -56.9 | -36.9 | 0 | 0 | 0 | 114.7 | A1555 W1570 C1575 | N1553-A1555 VanDerWaalsContact C-N 3.26Å; N1553-A1555 PolarHBondContact O-N 3.42Å; N1553-W1570 HydrophobicContact CB-CD2 3.86Å; N1553-W1570 HydrophobicContact CB-CE3 4.34Å; N1553-W1570 HydrophobicContact CB-CG 4.15Å; N1553-W1570 HydrophobicContact CB-CZ2 4.23Å; N1553-W1570 WeakPolarHBondContact ND2-CZ3 3.01Å; N1553-C1575 PolarHBondContact ND2-O 2.6Å |
| 1554 | G | 65.2 | Low | 75.1 | Confident | 44 Ų | 44 | 66.3 Ų | 66.3 | 45% | 0.454 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.3 | 4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | Y1552 | Y1552-G1554 VanDerWaalsContact C-N 3.3Å; Y1552-G1554 PolarHBondContact O-N 2.91Å |
| 1555 | A | 74.9 | Confident | 75.4 | Confident | 15 Ų | 15 | 69.7 Ų | 69.7 | 12% | 0.124 | 36% | 0.36 | C | S | . | . | P | Polyproline II helix | trans | -64.4 | 141.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | C1551 Y1552 N1553 C1564 E1565 C1575 | C1551-A1555 HydrophobicContact CB-CB 4.04Å; C1551-A1555 WeakPolarHBondContact CB-O 2.99Å; Y1552-A1555 WeakPolarHBondContact O-CB 3Å; Y1552-A1555 PolarHBondContact O-N 3.34Å; N1553-A1555 VanDerWaalsContact C-N 3.26Å; N1553-A1555 PolarHBondContact O-N 3.42Å; A1555-C1564 HydrophobicContact CB-CB 4.37Å; A1555-E1565 CarbonylContact C-O 3.56Å; A1555-E1565 WeakPolarHBondContact CA-O 3.02Å; A1555-E1565 VanDerWaalsContact CB-O 3.25Å; A1555-E1565 WeakPolarHBondContact CB-O 3.27Å; A1555-C1575 HydrophobicContact CB-CB 3.5Å; A1555-C1575 WeakPolarHBondContact CB-SG 3.32Å |
| 1556 | R | 74.8 | Confident | 75.6 | Confident | 171 Ų | 171 | 71.7 Ų | 71.7 | 65% | 0.645 | 37% | 0.374 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 127.8 | -172.2 | -50.1 | 175.5 | 75.2 | -121.3 | 8.5 | 110.6 | C1564 E1565 | R1556-C1564 CarbonylContact O-C 3.57Å; R1556-C1564 WeakPolarHBondContact O-CA 3.28Å; R1556-E1565 HydrophobicContact CB-CB 4.16Å; R1556-E1565 IonicContact CZ-OE2 2.86Å; R1556-E1565 PolarHBondContact N-O 2.98Å; R1556-E1565 IonicContact NH1-OE2 3.95Å; R1556-E1565 PolarHBondContact NH1-OE2 3.35Å; R1556-E1565 PolarHBondContact O-N 3.12Å |
| 1557 | C | 80.1 | Confident | 75.3 | Confident | 31 Ų | 31 | 66.7 Ų | 66.7 | 21% | 0.209 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 121.9 | 177.3 | 170 | 0 | 0 | 0 | 0 | 111.1 | C1549 M1559 | C1549-C1557 HydrophobicContact CB-CB 3.55Å; C1549-C1557 WeakPolarHBondContact CB-SG 3.35Å; C1549-C1557 WeakPolarHBondContact SG-CB 3.45Å; C1549-C1557 CovalentContact SG-SG 2.03Å; C1549-C1557 PolarHBondContact SG-SG 3.33Å; C1557-M1559 PolarHBondContact O-N 2.03Å |
| 1558 | N | 77.4 | Confident | 75 | Confident | 49 Ų | 49 | 65.2 Ų | 65.2 | 26% | 0.262 | 36% | 0.356 | S | S | . | . | trans | -70.7 | 110.3 | 167.8 | -175.7 | -40.4 | 0 | 0 | 0 | 109.6 | F1560 T1561 G1562 Q1563 | N1558-F1560 PolarHBondContact O-N 3.32Å; N1558-F1560 VanDerWaalsContact O-N 3.11Å; N1558-F1560 WeakPolarHBondContact OD1-CB 3.34Å; N1558-F1560 PolarHBondContact OD1-N 3.05Å; N1558-T1561 PolarHBondContact O-N 3.04Å; N1558-T1561 PolarHBondContact OD1-N 3.37Å; N1558-G1562 WeakPolarHBondContact O-CA 3.22Å; N1558-G1562 PolarHBondContact O-N 2.84Å; N1558-Q1563 HydrophobicContact CB-CB 4.36Å; N1558-Q1563 VanDerWaalsContact CB-O 3.23Å; N1558-Q1563 WeakPolarHBondContact CB-O 3.19Å; N1558-Q1563 PolarHBondContact N-O 2.76Å | ||
| 1559 | M | 68.7 | Low | 74.5 | Confident | 42 Ų | 42 | 62.2 Ų | 62.2 | 21% | 0.207 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -19.3 | -178.4 | 52 | 165.9 | -67.5 | 0 | 0 | 115.9 | G1526 V1535 C1536 Y1541 C1557 | G1526-M1559 WeakPolarHBondContact O-CE 3.03Å; V1535-M1559 HydrophobicContact CG1-CE 3.65Å; V1535-M1559 HydrophobicContact CG1-SD 3.59Å; V1535-M1559 VanDerWaalsContact CG1-SD 3.59Å; C1536-M1559 HydrophobicContact CB-CB 4.14Å; Y1541-M1559 WeakPolarHBondContact CA-O 3.02Å; Y1541-M1559 VanDerWaalsContact CB-O 3.32Å; Y1541-M1559 WeakPolarHBondContact CB-O 3.29Å; C1557-M1559 PolarHBondContact O-N 2.03Å |
| 1560 | F | 71.4 | Confident | 74.2 | Confident | 92 Ų | 92 | 63 Ų | 63 | 40% | 0.404 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92 | -42.4 | 180 | -59.9 | -76.2 | 0 | 0 | 0 | 112.3 | L1525 F1527 N1558 | L1525-F1560 VanDerWaalsContact O-CD1 3.3Å; L1525-F1560 WeakPolarHBondContact O-CD1 3.03Å; F1527-F1560 AromaticContact CE2-CE1 3.97Å; F1527-F1560 HydrophobicContact CE2-CE1 3.97Å; N1558-F1560 PolarHBondContact O-N 3.32Å; N1558-F1560 VanDerWaalsContact O-N 3.11Å; N1558-F1560 WeakPolarHBondContact OD1-CB 3.34Å; N1558-F1560 PolarHBondContact OD1-N 3.05Å |
| 1561 | T | 75.9 | Confident | 73.7 | Confident | 83 Ų | 83 | 59 Ų | 59 | 51% | 0.509 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.1 | -15.8 | -170.7 | 60.4 | 0 | 0 | 0 | 0 | 114.7 | N1558 Q1563 | N1558-T1561 PolarHBondContact O-N 3.04Å; N1558-T1561 PolarHBondContact OD1-N 3.37Å; T1561-Q1563 PolarHBondContact O-N 2.86Å; T1561-Q1563 WeakPolarHBondContact OG1-CB 3.5Å; T1561-Q1563 PolarHBondContact OG1-N 2.98Å |
| 1562 | G | 73.6 | Confident | 73.3 | Confident | 15 Ų | 15 | 59 Ų | 59 | 16% | 0.155 | 33% | 0.328 | C | S | . | . | trans | 76.9 | 2.1 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y1541 C1549 N1558 | Y1541-G1562 VanDerWaalsContact CD2-CA 3.4Å; Y1541-G1562 VanDerWaalsContact CD2-N 3.35Å; C1549-G1562 PolarHBondContact SG-O 2.7Å; N1558-G1562 WeakPolarHBondContact O-CA 3.22Å; N1558-G1562 PolarHBondContact O-N 2.84Å | ||
| 1563 | Q | 78.5 | Confident | 73.1 | Confident | 135 Ų | 135 | 58.4 Ų | 58.4 | 63% | 0.631 | 34% | 0.344 | S | S | * | . | trans | -71.2 | 137.9 | -179.4 | -172.5 | 174.6 | 0.5 | 0 | 0 | 111.4 | N1558 T1561 | N1558-Q1563 HydrophobicContact CB-CB 4.36Å; N1558-Q1563 VanDerWaalsContact CB-O 3.23Å; N1558-Q1563 WeakPolarHBondContact CB-O 3.19Å; N1558-Q1563 PolarHBondContact N-O 2.76Å; T1561-Q1563 PolarHBondContact O-N 2.86Å; T1561-Q1563 WeakPolarHBondContact OG1-CB 3.5Å; T1561-Q1563 PolarHBondContact OG1-N 2.98Å | ||
| 1564 | C | 81.5 | Confident | 73.5 | Confident | 17 Ų | 17 | 58 Ų | 58 | 12% | 0.115 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 125.2 | 179.2 | -56.8 | 0 | 0 | 0 | 0 | 111.8 | C1551 A1555 R1556 A1573 C1575 | C1551-C1564 WeakPolarHBondContact CA-SG 3Å; C1551-C1564 HydrophobicContact CB-CB 3.79Å; C1551-C1564 WeakPolarHBondContact CB-SG 3.5Å; C1551-C1564 WeakPolarHBondContact SG-CB 3.47Å; C1551-C1564 CovalentContact SG-SG 2.04Å; C1551-C1564 PolarHBondContact SG-SG 2.03Å; A1555-C1564 HydrophobicContact CB-CB 4.37Å; R1556-C1564 CarbonylContact O-C 3.57Å; R1556-C1564 WeakPolarHBondContact O-CA 3.28Å; C1564-A1573 PolarHBondContact SG-O 3.03Å; C1564-C1575 VanDerWaalsContact CB-SG 3.5Å |
| 1565 | E | 75.8 | Confident | 74.1 | Confident | 96 Ų | 96 | 56 Ų | 56 | 45% | 0.449 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 106.4 | 166.1 | -59.6 | 176.1 | 160.3 | 0 | 0 | 108.6 | A1555 R1556 | A1555-E1565 CarbonylContact C-O 3.56Å; A1555-E1565 WeakPolarHBondContact CA-O 3.02Å; A1555-E1565 VanDerWaalsContact CB-O 3.25Å; A1555-E1565 WeakPolarHBondContact CB-O 3.27Å; R1556-E1565 HydrophobicContact CB-CB 4.16Å; R1556-E1565 IonicContact CZ-OE2 2.86Å; R1556-E1565 PolarHBondContact N-O 2.98Å; R1556-E1565 IonicContact NH1-OE2 3.95Å; R1556-E1565 PolarHBondContact NH1-OE2 3.35Å; R1556-E1565 PolarHBondContact O-N 3.12Å |
| 1566 | C | 77.2 | Confident | 74.1 | Confident | 51 Ų | 51 | 60 Ų | 60 | 35% | 0.345 | 34% | 0.339 | S | S | . | . | P | Polyproline II helix | trans | -74.7 | 146.4 | -176.2 | -53.5 | 0 | 0 | 0 | 0 | 113 | W1570 C1575 | C1566-W1570 HydrophobicContact CB-CB 4.13Å; C1566-W1570 WeakPolarHBondContact CB-O 3.49Å; C1566-C1575 WeakPolarHBondContact CA-SG 3.16Å; C1566-C1575 HydrophobicContact CB-CB 3.71Å; C1566-C1575 WeakPolarHBondContact CB-SG 3.35Å; C1566-C1575 PolarHBondContact N-SG 3.13Å; C1566-C1575 VanDerWaalsContact SG-CA 3.53Å; C1566-C1575 WeakPolarHBondContact SG-CB 3.27Å; C1566-C1575 CovalentContact SG-SG 2.04Å; C1566-C1575 PolarHBondContact SG-SG 2.91Å |
| 1567 | A | 69.6 | Low | 73.7 | Confident | 26 Ų | 26 | 57.9 Ų | 57.9 | 22% | 0.215 | 34% | 0.336 | C | S | . | . | P | Polyproline II helix | trans | -70.1 | 158.5 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | G1569 W1570 | A1567-G1569 PolarHBondContact O-N 2.92Å; A1567-W1570 WeakPolarHBondContact O-CB 3.3Å; A1567-W1570 PolarHBondContact O-N 3.33Å |
| 1568 | A | 68.9 | Low | 73 | Confident | 60 Ų | 60 | 60.1 Ų | 60.1 | 50% | 0.496 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | 129.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | I1584 T1587 | A1568-I1584 HydrophobicContact CB-CG2 4.39Å; A1568-T1587 PolarHBondContact O-N 2.73Å |
| 1569 | G | 68.4 | Low | 72.1 | Confident | 9 Ų | 9 | 59.8 Ų | 59.8 | 9% | 0.093 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 92 | 3.4 | -172.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | A1567 E1578 D1579 | A1567-G1569 PolarHBondContact O-N 2.92Å; G1569-E1578 WeakPolarHBondContact O-CA 3.36Å; G1569-D1579 PolarHBondContact O-N 2.95Å |
| 1570 | W | 72.5 | Confident | 71.9 | Confident | 39 Ų | 39 | 66.7 Ų | 66.7 | 15% | 0.148 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 143.2 | -179.9 | -60.5 | 97.7 | 0 | 0 | 0 | 113.6 | N1553 C1566 A1567 C1575 Q1577 E1578 P1586 | N1553-W1570 HydrophobicContact CB-CD2 3.86Å; N1553-W1570 HydrophobicContact CB-CE3 4.34Å; N1553-W1570 HydrophobicContact CB-CG 4.15Å; N1553-W1570 HydrophobicContact CB-CZ2 4.23Å; N1553-W1570 WeakPolarHBondContact ND2-CZ3 3.01Å; C1566-W1570 HydrophobicContact CB-CB 4.13Å; C1566-W1570 WeakPolarHBondContact CB-O 3.49Å; A1567-W1570 WeakPolarHBondContact O-CB 3.3Å; A1567-W1570 PolarHBondContact O-N 3.33Å; W1570-C1575 HydrophobicContact CB-CB 4.43Å; W1570-Q1577 CarbonylContact C-O 3.56Å; W1570-Q1577 WeakPolarHBondContact CA-O 3.43Å; W1570-E1578 HydrophobicContact CE3-CG 4.03Å; W1570-E1578 HydrophobicContact CH2-CG 3.82Å; W1570-E1578 HydrophobicContact CZ3-CG 3.44Å; W1570-E1578 VanDerWaalsContact CZ3-CG 3.44Å; W1570-P1586 HydrophobicContact CZ2-CB 3.85Å |
| 1571 | L | 68.1 | Low | 71.3 | Confident | 71 Ų | 71 | 66.9 Ų | 66.9 | 37% | 0.372 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 168.9 | -171.5 | -58.5 | 178.9 | 0 | 0 | 0 | 112.7 | C1575 Q1576 Q1577 D1579 | L1571-C1575 CarbonylContact O-C 3.57Å; L1571-C1575 VanDerWaalsContact O-CA 3.25Å; L1571-C1575 WeakPolarHBondContact O-CA 3.2Å; L1571-Q1576 PolarHBondContact O-N 3.2Å; L1571-Q1577 HydrophobicContact CB-CB 4.02Å; L1571-Q1577 PolarHBondContact N-O 3.09Å; L1571-Q1577 PolarHBondContact O-N 3Å; L1571-Q1577 VanDerWaalsContact O-N 3.11Å; L1571-D1579 HydrophobicContact CD1-CB 3.78Å; L1571-D1579 HydrophobicContact CD2-CB 4.03Å; L1571-D1579 HydrophobicContact CG-CB 3.73Å |
| 1572 | G | 69.5 | Low | 70.1 | Confident | 33 Ų | 33 | 68.6 Ų | 68.6 | 34% | 0.34 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.6 | 163.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | T1574 C1575 | G1572-T1574 PolarHBondContact O-N 2.72Å; G1572-C1575 PolarHBondContact O-N 3.46Å |
| 1573 | A | 73 | Confident | 69.3 | Low | 93 Ų | 93 | 76.1 Ų | 76.1 | 77% | 0.769 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -19.2 | -171.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | C1564 | C1564-A1573 PolarHBondContact SG-O 3.03Š|
| 1574 | T | 78.3 | Confident | 67.9 | Low | 47 Ų | 47 | 74 Ų | 74 | 29% | 0.288 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.3 | 0.4 | 177.1 | 55 | 0 | 0 | 0 | 0 | 113.4 | K1550 Y1552 G1572 Q1576 | K1550-T1574 WeakPolarHBondContact O-CB 3.43Å; K1550-T1574 WeakPolarHBondContact O-CG2 3.34Å; Y1552-T1574 PolarHBondContact N-O 2.84Å; G1572-T1574 PolarHBondContact O-N 2.72Å; T1574-Q1576 WeakPolarHBondContact OG1-CG 3.37Å; T1574-Q1576 PolarHBondContact OG1-OE1 3Å |
| 1575 | C | 76.9 | Confident | 66.6 | Low | 0 Ų | 0 | 78.1 Ų | 78.1 | 0% | 0 | 44% | 0.437 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 59.7 | 37.9 | -175.6 | -52.8 | 0 | 0 | 0 | 0 | 114.8 | N1553 A1555 C1564 C1566 W1570 L1571 G1572 | N1553-C1575 PolarHBondContact ND2-O 2.6Å; A1555-C1575 HydrophobicContact CB-CB 3.5Å; A1555-C1575 WeakPolarHBondContact CB-SG 3.32Å; C1564-C1575 VanDerWaalsContact CB-SG 3.5Å; C1566-C1575 WeakPolarHBondContact CA-SG 3.16Å; C1566-C1575 HydrophobicContact CB-CB 3.71Å; C1566-C1575 WeakPolarHBondContact CB-SG 3.35Å; C1566-C1575 PolarHBondContact N-SG 3.13Å; C1566-C1575 VanDerWaalsContact SG-CA 3.53Å; C1566-C1575 WeakPolarHBondContact SG-CB 3.27Å; C1566-C1575 CovalentContact SG-SG 2.04Å; C1566-C1575 PolarHBondContact SG-SG 2.91Å; W1570-C1575 HydrophobicContact CB-CB 4.43Å; L1571-C1575 CarbonylContact O-C 3.57Å; L1571-C1575 VanDerWaalsContact O-CA 3.25Å; L1571-C1575 WeakPolarHBondContact O-CA 3.2Å; G1572-C1575 PolarHBondContact O-N 3.46Å |
| 1576 | Q | 75 | Confident | 65.4 | Low | 99 Ų | 99 | 76.3 Ų | 76.3 | 46% | 0.463 | 43% | 0.434 | S | S | . | . | trans | -104.7 | -11.7 | -177.2 | -70.2 | 178.8 | -55.5 | 0 | 0 | 114.6 | Y1552 L1571 T1574 | Y1552-Q1576 VanDerWaalsContact CD2-CD 3.47Å; Y1552-Q1576 HydrophobicContact CD2-CG 3.62Å; Y1552-Q1576 HydrophobicContact CE2-CG 4.41Å; Y1552-Q1576 HydrophobicContact CG-CG 3.72Å; L1571-Q1576 PolarHBondContact O-N 3.2Å; T1574-Q1576 WeakPolarHBondContact OG1-CG 3.37Å; T1574-Q1576 PolarHBondContact OG1-OE1 3Å | ||
| 1577 | Q | 67.7 | Low | 64.4 | Low | 127 Ų | 127 | 77.8 Ų | 77.8 | 59% | 0.593 | 44% | 0.441 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 141.3 | 177.7 | -69 | 169.4 | -42.6 | 0 | 0 | 109.4 | W1570 L1571 | W1570-Q1577 CarbonylContact C-O 3.56Å; W1570-Q1577 WeakPolarHBondContact CA-O 3.43Å; L1571-Q1577 HydrophobicContact CB-CB 4.02Å; L1571-Q1577 PolarHBondContact N-O 3.09Å; L1571-Q1577 PolarHBondContact O-N 3Å; L1571-Q1577 VanDerWaalsContact O-N 3.11Å |
| 1578 | E | 65.1 | Low | 63.3 | Low | 79 Ų | 79 | 85.6 Ų | 85.6 | 37% | 0.369 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 141.6 | 175.3 | -67.4 | 179 | 167.4 | 0 | 0 | 110.5 | G1569 W1570 Y1580 | G1569-E1578 WeakPolarHBondContact O-CA 3.36Å; W1570-E1578 HydrophobicContact CE3-CG 4.03Å; W1570-E1578 HydrophobicContact CH2-CG 3.82Å; W1570-E1578 HydrophobicContact CZ3-CG 3.44Å; W1570-E1578 VanDerWaalsContact CZ3-CG 3.44Å; E1578-Y1580 HydrophobicContact CB-CE1 3.86Å; E1578-Y1580 HydrophobicContact CB-CE2 4.22Å; E1578-Y1580 PolarHBondContact O-N 3.25Å; E1578-Y1580 WeakPolarHBondContact OE2-CE1 3.3Å; E1578-Y1580 VanDerWaalsContact OE2-CZ 3.3Å; E1578-Y1580 PolarHBondContact OE2-OH 3.36Å |
| 1579 | D | 58.4 | Low | 62.4 | Low | 42 Ų | 42 | 85.1 Ų | 85.1 | 23% | 0.225 | 47% | 0.466 | C | S | . | . | trans | -85.5 | 98.3 | 173.5 | -169.5 | 1 | 0 | 0 | 0 | 111.2 | G1569 L1571 S1581 | G1569-D1579 PolarHBondContact O-N 2.95Å; L1571-D1579 HydrophobicContact CD1-CB 3.78Å; L1571-D1579 HydrophobicContact CD2-CB 4.03Å; L1571-D1579 HydrophobicContact CG-CB 3.73Å; D1579-S1581 VanDerWaalsContact C-N 3.32Å; D1579-S1581 WeakPolarHBondContact OD1-CA 3.19Å; D1579-S1581 WeakPolarHBondContact OD1-CB 3.37Å; D1579-S1581 PolarHBondContact OD1-N 2.7Å | ||
| 1580 | Y | 64.1 | Low | 61.6 | Low | 187 Ų | 187 | 89.5 Ų | 89.5 | 73% | 0.733 | 49% | 0.487 | S | S | * | . | trans | -83.5 | -3.2 | 172.8 | -55.3 | -58.8 | 0 | 0 | 0 | 113.7 | E1578 H1582 | E1578-Y1580 HydrophobicContact CB-CE1 3.86Å; E1578-Y1580 HydrophobicContact CB-CE2 4.22Å; E1578-Y1580 PolarHBondContact O-N 3.25Å; E1578-Y1580 WeakPolarHBondContact OE2-CE1 3.3Å; E1578-Y1580 VanDerWaalsContact OE2-CZ 3.3Å; E1578-Y1580 PolarHBondContact OE2-OH 3.36Å; Y1580-H1582 VanDerWaalsContact C-N 3.32Å; Y1580-H1582 PolarHBondContact O-N 3.26Å | ||
| 1581 | S | 58.6 | Low | 60 | Low | 96 Ų | 96 | 92.5 Ų | 92.5 | 67% | 0.671 | 51% | 0.51 | S | S | * | . | S | Bend | trans | -75.9 | -20.7 | -176.6 | -166.7 | 0 | 0 | 0 | 0 | 113.3 | D1579 | D1579-S1581 VanDerWaalsContact C-N 3.32Å; D1579-S1581 WeakPolarHBondContact OD1-CA 3.19Å; D1579-S1581 WeakPolarHBondContact OD1-CB 3.37Å; D1579-S1581 PolarHBondContact OD1-N 2.7Å |
| 1582 | H | 52 | Low | 58.6 | Low | 119 Ų | 119 | 94 Ų | 94 | 55% | 0.551 | 52% | 0.523 | S | S | * | . | S | Bend | trans | -133.1 | 138 | 173.3 | -69.2 | -78.1 | 0 | 0 | 0 | 109.6 | Y1580 I1584 | Y1580-H1582 VanDerWaalsContact C-N 3.32Å; Y1580-H1582 PolarHBondContact O-N 3.26Å; H1582-I1584 HydrophobicContact CB-CD1 3.87Å; H1582-I1584 HydrophobicContact CB-CG1 4.06Å; H1582-I1584 PolarHBondContact O-N 3.32Å |
| 1583 | N | 55.2 | Low | 56.9 | Low | 173 Ų | 173 | 99.8 Ų | 99.8 | 93% | 0.925 | 55% | 0.546 | S | S | * | . | trans | -73.7 | 54.6 | 178.9 | -72.1 | -55.4 | 0 | 0 | 0 | 112.6 | ||||
| 1584 | I | 50.2 | Low | 54.9 | Low | 89 Ų | 89 | 102.5 Ų | 102.5 | 46% | 0.456 | 55% | 0.547 | S | S | . | . | trans | -102.2 | 102 | 176.1 | -60.6 | 168.2 | 0 | 0 | 0 | 105.9 | A1568 H1582 | A1568-I1584 HydrophobicContact CB-CG2 4.39Å; H1582-I1584 HydrophobicContact CB-CD1 3.87Å; H1582-I1584 HydrophobicContact CB-CG1 4.06Å; H1582-I1584 PolarHBondContact O-N 3.32Å | ||
| 1585 | P | 53.8 | Low | 52.8 | Low | 104 Ų | 104 | 106.1 Ų | 106.1 | 68% | 0.675 | 57% | 0.568 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 128.7 | -176 | 23.6 | -32.9 | 0 | 0 | 0 | 110.1 | T1587 | P1585-T1587 PolarHBondContact O-N 3.39Å; P1585-T1587 VanDerWaalsContact O-N 3.13Å |
| 1586 | P | 50.8 | Low | 50.5 | Low | 58 Ų | 58 | 111.3 Ų | 111.3 | 38% | 0.377 | 61% | 0.605 | S | S | . | * | P | Polyproline II helix | trans | -62.7 | 117.8 | -169.6 | 22.2 | -32.8 | 0 | 0 | 0 | 110.8 | W1570 R1588 | W1570-P1586 HydrophobicContact CZ2-CB 3.85Å; P1586-R1588 PolarHBondContact O-N 3.04Å |
| 1587 | T | 55.8 | Low | 48.3 | Very low | 82 Ų | 82 | 118.7 Ų | 118.7 | 50% | 0.503 | 63% | 0.628 | S | S | . | * | P | Polyproline II helix | trans | -78.9 | 124.4 | -177.8 | 54.9 | 0 | 0 | 0 | 0 | 110 | A1568 P1585 G1589 | A1568-T1587 PolarHBondContact O-N 2.73Å; P1585-T1587 PolarHBondContact O-N 3.39Å; P1585-T1587 VanDerWaalsContact O-N 3.13Å; T1587-G1589 PolarHBondContact O-N 3.44Å; T1587-G1589 VanDerWaalsContact O-N 3.08Å |
| 1588 | R | 46.2 | Very low | 46.4 | Very low | 191 Ų | 191 | 115.4 Ų | 115.4 | 72% | 0.721 | 63% | 0.628 | S | S | * | * | trans | -78.6 | 93.5 | 178.6 | -169.4 | 175 | -170.1 | 149.9 | 3.9 | 109.7 | P1586 D1590 V1591 | P1586-R1588 PolarHBondContact O-N 3.04Å; R1588-D1590 PolarHBondContact O-N 2.72Å; R1588-V1591 PolarHBondContact O-N 2.7Å | ||
| 1589 | G | 50.8 | Low | 44.6 | Very low | 49 Ų | 49 | 121.2 Ų | 121.2 | 51% | 0.505 | 66% | 0.656 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -57.5 | -14.7 | -175.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | T1587 V1591 | T1587-G1589 PolarHBondContact O-N 3.44Å; T1587-G1589 VanDerWaalsContact O-N 3.08Å; G1589-V1591 VanDerWaalsContact C-N 3.28Å; G1589-V1591 PolarHBondContact O-N 3.17Å |
| 1590 | D | 50.9 | Low | 43.2 | Very low | 101 Ų | 101 | 129.4 Ų | 129.4 | 54% | 0.54 | 69% | 0.685 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -77.7 | -3.6 | 178.9 | -49.7 | -43.5 | 0 | 0 | 0 | 114.4 | R1588 P1592 | R1588-D1590 PolarHBondContact O-N 2.72Å; D1590-P1592 WeakPolarHBondContact O-CD 3.48Å |
| 1591 | V | 40.3 | Very low | 41.4 | Very low | 103 Ų | 103 | 131.6 Ų | 131.6 | 62% | 0.624 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -89.2 | 100.6 | 172.9 | -173.9 | 0 | 0 | 0 | 0 | 108.7 | R1588 G1589 N1593 | R1588-V1591 PolarHBondContact O-N 2.7Å; G1589-V1591 VanDerWaalsContact C-N 3.28Å; G1589-V1591 PolarHBondContact O-N 3.17Å; V1591-N1593 PolarHBondContact O-N 3.07Å |
| 1592 | P | 37.5 | Very low | 40 | Very low | 101 Ų | 101 | 141.2 Ų | 141.2 | 66% | 0.656 | 72% | 0.716 | S | S | * | * | trans | -62.9 | 139.8 | 176 | 28.1 | -35.3 | 0 | 0 | 0 | 109.5 | D1590 I1594 | D1590-P1592 WeakPolarHBondContact O-CD 3.48Å; P1592-I1594 PolarHBondContact O-N 3.04Å | ||
| 1593 | N | 34.6 | Very low | 39.4 | Very low | 155 Ų | 155 | 142.4 Ų | 142.4 | 83% | 0.829 | 72% | 0.724 | S | S | * | * | trans | -54.1 | 112.7 | 170.9 | -105.8 | -49.1 | 0 | 0 | 0 | 109.1 | V1591 V1595 | V1591-N1593 PolarHBondContact O-N 3.07Å; N1593-V1595 HydrophobicContact CB-CG2 4.38Å; N1593-V1595 PolarHBondContact O-N 3.49Å | ||
| 1594 | I | 31.2 | Very low | 38.6 | Very low | 151 Ų | 151 | 140.7 Ų | 140.7 | 77% | 0.774 | 71% | 0.713 | S | S | * | * | trans | -74.1 | 78.5 | 171.9 | -57.7 | 179.7 | 0 | 0 | 0 | 106.6 | P1592 S1596 | P1592-I1594 PolarHBondContact O-N 3.04Å; I1594-S1596 PolarHBondContact O-N 3.3Å | ||
| 1595 | V | 33.5 | Very low | 37.9 | Very low | 122 Ų | 122 | 143.6 Ų | 143.6 | 74% | 0.739 | 73% | 0.728 | S | S | * | * | trans | -60.7 | 112 | 170.8 | 179.4 | 0 | 0 | 0 | 0 | 106.8 | N1593 R1597 | N1593-V1595 HydrophobicContact CB-CG2 4.38Å; N1593-V1595 PolarHBondContact O-N 3.49Å; V1595-R1597 PolarHBondContact O-N 3.1Å | ||
| 1596 | S | 29.1 | Very low | 37 | Very low | 110 Ų | 110 | 145.9 Ų | 145.9 | 77% | 0.769 | 73% | 0.731 | S | S | * | * | trans | -48.5 | 110.8 | -172.3 | -52.8 | 0 | 0 | 0 | 0 | 111.3 | I1594 G1598 | I1594-S1596 PolarHBondContact O-N 3.3Å; S1596-G1598 VanDerWaalsContact C-N 3.31Å; S1596-G1598 PolarHBondContact O-N 2.75Å | ||
| 1597 | R | 27.6 | Very low | 36.1 | Very low | 253 Ų | 253 | 151.4 Ų | 151.4 | 96% | 0.955 | 75% | 0.753 | S | S | * | * | trans | -70.4 | 87.1 | -179.6 | -99.4 | -171 | 170.4 | -174.7 | -1.7 | 111 | V1595 | V1595-R1597 PolarHBondContact O-N 3.1Š| ||
| 1598 | G | 28.6 | Very low | 34.8 | Very low | 58 Ų | 58 | 156.1 Ų | 156.1 | 60% | 0.598 | 77% | 0.769 | S | S | * | * | trans | 72.2 | 108.5 | 161.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | S1596 | S1596-G1598 VanDerWaalsContact C-N 3.31Å; S1596-G1598 PolarHBondContact O-N 2.75Å | ||
| 1599 | Q | 28.5 | Very low | 34 | Very low | 202 Ų | 202 | 153.6 Ų | 153.6 | 94% | 0.944 | 77% | 0.773 | S | S | * | * | -78.8 | 146.2 | 125 | -84.3 | -173.8 | -29.2 | 0 | 0 | 108.7 | |||||
| 1600 | Y | 27.5 | Very low | 32.7 | Very low | 214 Ų | 214 | 161.6 Ų | 161.6 | 84% | 0.839 | 79% | 0.794 | S | S | * | * | trans | -74.8 | 162.5 | 179.8 | -78.8 | -115.2 | 0 | 0 | 0 | 110.7 | Y1602 | Y1600-Y1602 PolarHBondContact O-N 2.98Š| ||
| 1601 | R | 25.7 | Very low | 31.2 | Very low | 232 Ų | 232 | 166.7 Ų | 166.7 | 88% | 0.875 | 82% | 0.815 | S | S | * | * | trans | 2.7 | 104.7 | 152 | -64.5 | 173.6 | 171.7 | 173.8 | -5.1 | 115.3 | ||||
| 1602 | Y | 30.6 | Very low | 30.4 | Very low | 299 Ų | 299 | 172.5 Ų | 172.5 | 100% | 1.173 | 83% | 0.832 | S | S | * | * | -157.4 | 0 | 97.8 | -113.8 | -74.8 | 0 | 0 | 0 | 111.2 | Y1600 | Y1600-Y1602 PolarHBondContact O-N 2.98Š|
Retrieved 1,602 of 1,602 residues in 4212.8 ms
(Link to these results)