| 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 | 32.1 | Very low | 40 | Very low | 246 Ų | 246 | 147.9 Ų | 147.9 | 100% | 1.212 | 71% | 0.71 | S | S | * | * | 0 | 95.5 | 0 | -75.6 | 179.1 | 172.2 | 0 | 0 | 109.8 | |||||
| 2 | K | 31.6 | Very low | 40.5 | Very low | 206 Ų | 206 | 148.5 Ų | 148.5 | 90% | 0.896 | 71% | 0.712 | S | S | * | * | trans | -119.2 | 111.1 | 158.7 | -77.6 | -175.1 | 176.5 | 179.1 | 0 | 105.1 | ||||
| 3 | R | 35.3 | Very low | 41 | Very low | 247 Ų | 247 | 143.1 Ų | 143.1 | 93% | 0.932 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 125.1 | 177.7 | -80.3 | 175.9 | 169.6 | 162 | -4.5 | 108 | M5 | R3-M5 PolarHBondContact O-N 3.22Š|
| 4 | N | 39.6 | Very low | 41.3 | Very low | 99 Ų | 99 | 137.6 Ų | 137.6 | 53% | 0.529 | 67% | 0.668 | S | S | . | * | P | Polyproline II helix | trans | -60.4 | 127.6 | 165.2 | -70.8 | -17.1 | 0 | 0 | 0 | 107.9 | Y6 | N4-Y6 HydrophobicContact CB-CE2 4.46Š|
| 5 | M | 37 | Very low | 41.3 | Very low | 171 Ų | 171 | 137.1 Ų | 137.1 | 84% | 0.842 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -100.7 | 121 | 180 | -157.3 | -174.6 | -85.2 | 0 | 0 | 107.5 | R3 | R3-M5 PolarHBondContact O-N 3.22Š|
| 6 | Y | 45.2 | Very low | 41.6 | Very low | 134 Ų | 134 | 136 Ų | 136 | 53% | 0.525 | 68% | 0.681 | S | S | . | * | P | Polyproline II helix | trans | -99.5 | 137.4 | 174 | -57.4 | -81.8 | 0 | 0 | 0 | 108.9 | N4 L26 L28 | N4-Y6 HydrophobicContact CB-CE2 4.46Å; Y6-L26 HydrophobicContact CD1-CD2 3.84Å; Y6-L28 HydrophobicContact CE1-CD2 3.91Å |
| 7 | C | 41.6 | Very low | 41.7 | Very low | 86 Ų | 86 | 139.5 Ų | 139.5 | 58% | 0.581 | 69% | 0.694 | S | S | * | * | trans | -118.2 | 113.6 | 176.5 | -159.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 8 | L | 45.2 | Very low | 41.9 | Very low | 108 Ų | 108 | 135.9 Ų | 135.9 | 57% | 0.565 | 69% | 0.685 | S | S | * | * | trans | -97 | 130.1 | 172.9 | -86.9 | 146 | 0 | 0 | 0 | 108.9 | I24 | L8-I24 HydrophobicContact CD2-CB 4.35Å; L8-I24 HydrophobicContact CD2-CG1 4.05Å; L8-I24 HydrophobicContact CD2-CG2 3.79Å | ||
| 9 | S | 43.6 | Very low | 41.9 | Very low | 77 Ų | 77 | 136 Ų | 136 | 54% | 0.538 | 68% | 0.683 | S | S | . | * | trans | -126.8 | 118.6 | 174.5 | 177.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 10 | L | 43.1 | Very low | 42.2 | Very low | 104 Ų | 104 | 134.4 Ų | 134.4 | 55% | 0.545 | 67% | 0.671 | S | S | . | * | trans | -88.8 | 136.1 | 173.2 | -94 | 141.5 | 0 | 0 | 0 | 110 | L22 | L10-L22 HydrophobicContact CD2-CD1 3.47Å; L10-L22 VanDerWaalsContact CD2-CD1 3.47Å; L10-L22 HydrophobicContact CD2-CG 3.75Å; L10-L22 HydrophobicContact CG-CD1 4.46Å; L10-L22 HydrophobicContact CG-CG 4.47Å | ||
| 11 | K | 46 | Very low | 42.4 | Very low | 149 Ų | 149 | 131 Ų | 131 | 65% | 0.648 | 66% | 0.655 | S | S | * | * | trans | -135.8 | 120.7 | 173.9 | -153.7 | 176.9 | -173.2 | -177.3 | 0 | 109.7 | ||||
| 12 | Q | 46.3 | Very low | 43.1 | Very low | 155 Ų | 155 | 121 Ų | 121 | 72% | 0.724 | 61% | 0.606 | S | S | * | * | trans | -70.6 | 132.1 | 172.9 | -174.2 | 179.1 | -3.5 | 0 | 0 | 109.7 | ||||
| 13 | I | 46.9 | Very low | 43.8 | Very low | 78 Ų | 78 | 114.2 Ų | 114.2 | 40% | 0.4 | 58% | 0.577 | S | S | . | * | trans | -119.7 | -10.6 | -170.5 | -71.8 | 161.4 | 0 | 0 | 0 | 114.1 | W39 | I13-W39 HydrophobicContact CD1-CH2 3.53Å; I13-W39 HydrophobicContact CD1-CZ3 3.36Å | ||
| 14 | T | 44.3 | Very low | 44.6 | Very low | 67 Ų | 67 | 104.7 Ų | 104.7 | 41% | 0.411 | 54% | 0.544 | S | S | . | . | trans | -142.2 | 144.2 | -177.6 | 49.9 | 0 | 0 | 0 | 0 | 113.3 | D16 Q19 | T14-D16 VanDerWaalsContact C-N 3.29Å; T14-D16 PolarHBondContact O-N 3.42Å; T14-Q19 PolarHBondContact OG1-O 3.02Å | ||
| 15 | S | 42.1 | Very low | 44.9 | Very low | 129 Ų | 129 | 101.4 Ų | 101.4 | 90% | 0.902 | 53% | 0.529 | S | S | * | . | S | Bend | trans | -90.7 | 23.2 | -179.3 | 75.9 | 0 | 0 | 0 | 0 | 113.5 | ||
| 16 | D | 46 | Very low | 45.4 | Very low | 120 Ų | 120 | 97.4 Ų | 97.4 | 64% | 0.642 | 51% | 0.511 | S | S | * | . | S | Bend | trans | -118.9 | 125.1 | -179 | -159.2 | -1.5 | 0 | 0 | 0 | 109.1 | T14 S18 | T14-D16 VanDerWaalsContact C-N 3.29Å; T14-D16 PolarHBondContact O-N 3.42Å; D16-S18 PolarHBondContact O-N 3.17Å |
| 17 | Q | 43.1 | Very low | 45.4 | Very low | 195 Ų | 195 | 93.3 Ų | 93.3 | 91% | 0.911 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | 24.2 | -156.3 | -75.1 | -145.4 | -18.2 | 0 | 0 | 116.2 | ||
| 18 | S | 45.2 | Very low | 45.4 | Very low | 75 Ų | 75 | 94.1 Ų | 94.1 | 52% | 0.524 | 50% | 0.499 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -140.9 | -2.4 | -168.8 | 48.7 | 0 | 0 | 0 | 0 | 116.3 | D16 | D16-S18 PolarHBondContact O-N 3.17Š|
| 19 | Q | 42.5 | Very low | 45 | Very low | 138 Ų | 138 | 98.4 Ų | 98.4 | 65% | 0.645 | 51% | 0.509 | S | S | * | . | trans | -140.6 | 120 | 178.3 | -63 | -170.4 | -1.6 | 0 | 0 | 112.4 | T14 | T14-Q19 PolarHBondContact OG1-O 3.02Š| ||
| 20 | F | 47.9 | Very low | 44.7 | Very low | 103 Ų | 103 | 100.5 Ų | 100.5 | 45% | 0.452 | 52% | 0.521 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 130.7 | 170.5 | -60 | -88.7 | 0 | 0 | 0 | 109.3 | V42 | F20-V42 PolarHBondContact N-O 2.92Å; F20-V42 PolarHBondContact O-N 2.87Å |
| 21 | L | 45.3 | Very low | 44.8 | Very low | 63 Ų | 63 | 100.1 Ų | 100.1 | 33% | 0.33 | 52% | 0.523 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 114.4 | 169.7 | -80.8 | 174.3 | 0 | 0 | 0 | 109.1 | W39 | L21-W39 HydrophobicContact CB-CE3 3.84Å; L21-W39 HydrophobicContact CB-CZ3 3.92Å; L21-W39 HydrophobicContact CD1-CE3 3.97Å; L21-W39 HydrophobicContact CD1-CZ3 4.06Å; L21-W39 HydrophobicContact CD2-CB 4.4Å; L21-W39 HydrophobicContact CD2-CE3 4.12Å; L21-W39 HydrophobicContact CG-CE3 4.2Å |
| 22 | L | 48 | Very low | 44.3 | Very low | 36 Ų | 36 | 97.3 Ų | 97.3 | 19% | 0.188 | 54% | 0.537 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 119.6 | 177.1 | -142.1 | 109.8 | 0 | 0 | 0 | 109 | L10 I24 M40 V42 | L10-L22 HydrophobicContact CD2-CD1 3.47Å; L10-L22 VanDerWaalsContact CD2-CD1 3.47Å; L10-L22 HydrophobicContact CD2-CG 3.75Å; L10-L22 HydrophobicContact CG-CD1 4.46Å; L10-L22 HydrophobicContact CG-CG 4.47Å; L22-I24 HydrophobicContact CD2-CD1 3.99Å; L22-I24 HydrophobicContact CD2-CG1 3.77Å; L22-M40 PolarHBondContact N-O 3.26Å; L22-M40 VanDerWaalsContact N-O 3.14Å; L22-V42 HydrophobicContact CB-CG2 4.44Å; L22-V42 HydrophobicContact CD1-CG2 4.43Å |
| 23 | K | 46.2 | Very low | 43.9 | Very low | 64 Ų | 64 | 95.9 Ų | 95.9 | 28% | 0.278 | 53% | 0.533 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 103.1 | 173.4 | -175.5 | 179.1 | -179.1 | 176 | 0 | 109.6 | H37 | K23-H37 WeakPolarHBondContact CE-CE1 3.3Å; K23-H37 WeakPolarHBondContact CE-ND1 3.32Å; K23-H37 PolarHBondContact NZ-CE1 2.94Å; K23-H37 VanDerWaalsContact NZ-CE1 3.34Å |
| 24 | I | 52.4 | Low | 43.6 | Very low | 47 Ų | 47 | 103.7 Ų | 103.7 | 24% | 0.241 | 56% | 0.558 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -87.3 | 125.2 | 172.2 | -59.6 | 175 | 0 | 0 | 0 | 108.1 | L8 L22 L26 | L8-I24 HydrophobicContact CD2-CB 4.35Å; L8-I24 HydrophobicContact CD2-CG1 4.05Å; L8-I24 HydrophobicContact CD2-CG2 3.79Å; L22-I24 HydrophobicContact CD2-CD1 3.99Å; L22-I24 HydrophobicContact CD2-CG1 3.77Å; I24-L26 HydrophobicContact CG2-CD1 4.49Å; I24-L26 HydrophobicContact CG2-CG 4.19Å |
| 25 | S | 44.6 | Very low | 43.6 | Very low | 31 Ų | 31 | 104.2 Ų | 104.2 | 22% | 0.217 | 56% | 0.561 | C | S | . | * | trans | -119.4 | 112.3 | 172.3 | -56.6 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 26 | L | 48.3 | Very low | 43.8 | Very low | 87 Ų | 87 | 101.5 Ų | 101.5 | 46% | 0.455 | 54% | 0.542 | S | S | . | . | trans | -96.2 | 122 | 174.8 | -73.6 | 159 | 0 | 0 | 0 | 108.5 | Y6 I24 | Y6-L26 HydrophobicContact CD1-CD2 3.84Å; I24-L26 HydrophobicContact CG2-CD1 4.49Å; I24-L26 HydrophobicContact CG2-CG 4.19Å | ||
| 27 | S | 44.2 | Very low | 43.8 | Very low | 48 Ų | 48 | 100.2 Ų | 100.2 | 34% | 0.336 | 53% | 0.532 | S | S | . | . | trans | -116.2 | 122.8 | 170.8 | 56.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 28 | L | 42.7 | Very low | 44 | Very low | 102 Ų | 102 | 98 Ų | 98 | 53% | 0.534 | 52% | 0.52 | S | S | . | . | trans | -105 | 109.9 | 174.5 | -77.9 | 162.1 | 0 | 0 | 0 | 108.5 | Y6 V31 | Y6-L28 HydrophobicContact CE1-CD2 3.91Å; L28-V31 VanDerWaalsContact O-O 3.12Å | ||
| 29 | Y | 35.7 | Very low | 44 | Very low | 198 Ų | 198 | 101.1 Ų | 101.1 | 78% | 0.776 | 52% | 0.52 | S | S | * | . | S | Bend | trans | -94.3 | 138.7 | 168.4 | -87 | -92.8 | 0 | 0 | 0 | 109.6 | ||
| 30 | P | 38.6 | Very low | 44.2 | Very low | 121 Ų | 121 | 98.9 Ų | 98.9 | 79% | 0.786 | 51% | 0.51 | S | S | * | . | S | Bend | cis | -106.5 | 13.1 | 23.2 | 39.4 | -33.7 | 0 | 0 | 0 | 115.7 | ||
| 31 | V | 44.3 | Very low | 44.2 | Very low | 96 Ų | 96 | 97.9 Ų | 97.9 | 58% | 0.582 | 52% | 0.521 | S | S | * | . | S | Bend | trans | -106.5 | 111.7 | -170 | -166 | 0 | 0 | 0 | 0 | 110.1 | L28 L33 | L28-V31 VanDerWaalsContact O-O 3.12Å; V31-L33 VanDerWaalsContact C-N 3.29Å; V31-L33 HydrophobicContact CG1-CD1 4.11Å; V31-L33 PolarHBondContact O-N 3.29Å |
| 32 | G | 36.3 | Very low | 44.5 | Very low | 91 Ų | 91 | 96 Ų | 96 | 94% | 0.938 | 51% | 0.512 | S | S | * | . | trans | -65.6 | 71.7 | -173.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 33 | L | 38 | Very low | 44.3 | Very low | 125 Ų | 125 | 102.3 Ų | 102.3 | 65% | 0.654 | 54% | 0.541 | S | S | * | . | trans | -105.2 | 149.4 | 175.6 | -97.5 | 135.2 | 0 | 0 | 0 | 112.9 | V31 | V31-L33 VanDerWaalsContact C-N 3.29Å; V31-L33 HydrophobicContact CG1-CD1 4.11Å; V31-L33 PolarHBondContact O-N 3.29Å | ||
| 34 | R | 40.3 | Very low | 44.1 | Very low | 242 Ų | 242 | 108 Ų | 108 | 91% | 0.913 | 57% | 0.569 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 133.2 | -163 | -144.4 | 174.9 | -173.7 | -179.3 | 0.8 | 112.9 | S36 | R34-S36 PolarHBondContact O-N 2.88Š|
| 35 | V | 44.1 | Very low | 43.9 | Very low | 78 Ų | 78 | 109 Ų | 109 | 47% | 0.473 | 58% | 0.576 | S | S | . | * | P | Polyproline II helix | trans | -68.4 | 116.5 | 173.7 | -176.8 | 0 | 0 | 0 | 0 | 109.7 | H37 | V35-H37 WeakPolarHBondContact CG1-CE1 3.37Š|
| 36 | S | 46.9 | Very low | 44.1 | Very low | 72 Ų | 72 | 113.3 Ų | 113.3 | 50% | 0.503 | 60% | 0.597 | S | S | . | * | P | Polyproline II helix | trans | -89.7 | 127 | 164.3 | 54.7 | 0 | 0 | 0 | 0 | 109.5 | R34 | R34-S36 PolarHBondContact O-N 2.88Š|
| 37 | H | 45.1 | Very low | 44.1 | Very low | 93 Ų | 93 | 116 Ų | 116 | 43% | 0.431 | 61% | 0.607 | S | S | . | * | P | Polyproline II helix | trans | -99 | 124 | 173.8 | -69.9 | -48.9 | 0 | 0 | 0 | 109.9 | K23 V35 | K23-H37 WeakPolarHBondContact CE-CE1 3.3Å; K23-H37 WeakPolarHBondContact CE-ND1 3.32Å; K23-H37 PolarHBondContact NZ-CE1 2.94Å; K23-H37 VanDerWaalsContact NZ-CE1 3.34Å; V35-H37 WeakPolarHBondContact CG1-CE1 3.37Å |
| 38 | F | 47.9 | Very low | 44.1 | Very low | 149 Ų | 149 | 123.8 Ų | 123.8 | 65% | 0.654 | 63% | 0.629 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -109.4 | 141.6 | 167.7 | -86.4 | -92.8 | 0 | 0 | 0 | 110 | ||
| 39 | W | 44.7 | Very low | 44.5 | Very low | 140 Ų | 140 | 121.2 Ų | 121.2 | 53% | 0.53 | 62% | 0.62 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -110.5 | 122.7 | 173.7 | -64.9 | 103.4 | 0 | 0 | 0 | 108.1 | I13 L21 | I13-W39 HydrophobicContact CD1-CH2 3.53Å; I13-W39 HydrophobicContact CD1-CZ3 3.36Å; L21-W39 HydrophobicContact CB-CE3 3.84Å; L21-W39 HydrophobicContact CB-CZ3 3.92Å; L21-W39 HydrophobicContact CD1-CE3 3.97Å; L21-W39 HydrophobicContact CD1-CZ3 4.06Å; L21-W39 HydrophobicContact CD2-CB 4.4Å; L21-W39 HydrophobicContact CD2-CE3 4.12Å; L21-W39 HydrophobicContact CG-CE3 4.2Å |
| 40 | M | 47.6 | Very low | 45 | Very low | 90 Ų | 90 | 113.9 Ų | 113.9 | 44% | 0.443 | 59% | 0.594 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -119.4 | 131.7 | 167.7 | -80.9 | 176.4 | 61.2 | 0 | 0 | 109.2 | L22 | L22-M40 PolarHBondContact N-O 3.26Å; L22-M40 VanDerWaalsContact N-O 3.14Å |
| 41 | A | 46.4 | Very low | 45.6 | Very low | 83 Ų | 83 | 113.4 Ų | 113.4 | 69% | 0.686 | 58% | 0.584 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -78.4 | 124.7 | 167 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||
| 42 | V | 53 | Low | 45.8 | Very low | 22 Ų | 22 | 117.3 Ų | 117.3 | 13% | 0.133 | 60% | 0.596 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -120.3 | 121.2 | 177.8 | -175.3 | 0 | 0 | 0 | 0 | 108.5 | F20 L22 V45 L50 | F20-V42 PolarHBondContact N-O 2.92Å; F20-V42 PolarHBondContact O-N 2.87Å; L22-V42 HydrophobicContact CB-CG2 4.44Å; L22-V42 HydrophobicContact CD1-CG2 4.43Å; V42-V45 HydrophobicContact CG1-CB 4.05Å; V42-V45 HydrophobicContact CG1-CG2 3.72Å; V42-L50 HydrophobicContact CG1-CD1 4.21Å |
| 43 | Q | 44.2 | Very low | 46.5 | Very low | 169 Ų | 169 | 117 Ų | 117 | 79% | 0.79 | 58% | 0.579 | S | S | * | * | trans | -86 | 111.8 | 168.5 | -93.8 | -179.7 | -28 | 0 | 0 | 108.9 | V45 | Q43-V45 WeakPolarHBondContact O-CG2 3.25Å; Q43-V45 PolarHBondContact O-N 3.4Å | ||
| 44 | Q | 41.7 | Very low | 47.1 | Very low | 185 Ų | 185 | 113.6 Ų | 113.6 | 86% | 0.864 | 56% | 0.561 | S | S | * | * | S | Bend | trans | 36.5 | 75.2 | 162.6 | -157.7 | 173.1 | 8.6 | 0 | 0 | 114.9 | ||
| 45 | V | 47.3 | Very low | 47.6 | Very low | 66 Ų | 66 | 105.7 Ų | 105.7 | 40% | 0.4 | 54% | 0.537 | S | S | . | . | trans | -125.4 | 133.6 | 175.6 | -171.2 | 0 | 0 | 0 | 0 | 110 | V42 Q43 E47 S49 L50 | V42-V45 HydrophobicContact CG1-CB 4.05Å; V42-V45 HydrophobicContact CG1-CG2 3.72Å; Q43-V45 WeakPolarHBondContact O-CG2 3.25Å; Q43-V45 PolarHBondContact O-N 3.4Å; V45-E47 PolarHBondContact O-N 2.79Å; V45-S49 WeakPolarHBondContact CG1-OG 3.4Å; V45-L50 HydrophobicContact CB-CD1 3.89Å; V45-L50 HydrophobicContact CB-CD2 4.32Å; V45-L50 HydrophobicContact CB-CG 4Å; V45-L50 HydrophobicContact CG1-CD1 4.05Å; V45-L50 HydrophobicContact CG1-CD2 4.02Å; V45-L50 HydrophobicContact CG1-CG 3.62Å | ||
| 46 | D | 49.3 | Very low | 47.8 | Very low | 123 Ų | 123 | 107.3 Ų | 107.3 | 66% | 0.658 | 54% | 0.543 | S | S | * | . | trans | -57.1 | 122.3 | 179.6 | -159.8 | -5.8 | 0 | 0 | 0 | 110.9 | R48 S49 | D46-R48 PolarHBondContact O-N 2.83Å; D46-S49 PolarHBondContact O-N 3.4Å; D46-S49 PolarHBondContact O-OG 3.17Å | ||
| 47 | E | 48.1 | Very low | 47.8 | Very low | 143 Ų | 143 | 111.6 Ų | 111.6 | 67% | 0.668 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -53.5 | -28.5 | -168.6 | -93.4 | -176.3 | 155.4 | 0 | 0 | 113.7 | V45 | V45-E47 PolarHBondContact O-N 2.79Å |
| 48 | R | 44.8 | Very low | 47.8 | Very low | 211 Ų | 211 | 113.5 Ų | 113.5 | 80% | 0.796 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -82.3 | -25.1 | -179 | -64.9 | -178.1 | 179.5 | 178.3 | 0.5 | 113.5 | D46 | D46-R48 PolarHBondContact O-N 2.83Å |
| 49 | S | 49.7 | Very low | 47.7 | Very low | 49 Ų | 49 | 113.6 Ų | 113.6 | 34% | 0.343 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -83.6 | -24.3 | -176.3 | 69.7 | 0 | 0 | 0 | 0 | 113.8 | V45 D46 S53 | V45-S49 WeakPolarHBondContact CG1-OG 3.4Å; D46-S49 PolarHBondContact O-N 3.4Å; D46-S49 PolarHBondContact O-OG 3.17Å; S49-S53 VanDerWaalsContact O-CB 3.29Å; S49-S53 WeakPolarHBondContact O-CB 3.37Å; S49-S53 PolarHBondContact O-N 3.34Å; S49-S53 VanDerWaalsContact O-N 3.1Å; S49-S53 PolarHBondContact O-OG 2.87Å |
| 50 | L | 47.4 | Very low | 47.6 | Very low | 43 Ų | 43 | 111.4 Ų | 111.4 | 23% | 0.225 | 57% | 0.566 | C | S | . | * | H | α-helix | trans | -70.8 | -39.2 | 179.8 | -82.8 | 162.7 | 0 | 0 | 0 | 113 | V42 V45 E52 S53 L54 | V42-L50 HydrophobicContact CG1-CD1 4.21Å; V45-L50 HydrophobicContact CB-CD1 3.89Å; V45-L50 HydrophobicContact CB-CD2 4.32Å; V45-L50 HydrophobicContact CB-CG 4Å; V45-L50 HydrophobicContact CG1-CD1 4.05Å; V45-L50 HydrophobicContact CG1-CD2 4.02Å; V45-L50 HydrophobicContact CG1-CG 3.62Å; L50-E52 VanDerWaalsContact C-N 3.34Å; L50-S53 WeakPolarHBondContact CA-OG 3.38Å; L50-S53 PolarHBondContact O-N 3.42Å; L50-S53 PolarHBondContact O-OG 3.08Å; L50-L54 WeakPolarHBondContact O-CB 3.4Å; L50-L54 WeakPolarHBondContact O-CD1 3.22Å; L50-L54 VanDerWaalsContact O-CG 3.22Å; L50-L54 WeakPolarHBondContact O-CG 3.33Å; L50-L54 PolarHBondContact O-N 3.09Å; L50-L54 VanDerWaalsContact O-N 3.11Å |
| 51 | I | 51.4 | Low | 47.2 | Very low | 112 Ų | 112 | 111.9 Ų | 111.9 | 57% | 0.574 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -72.7 | -32.8 | -177.9 | -61.9 | 175.4 | 0 | 0 | 0 | 110.7 | ||
| 52 | E | 47.8 | Very low | 47 | Very low | 178 Ų | 178 | 109.9 Ų | 109.9 | 83% | 0.832 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -79.8 | -23.5 | 176.8 | -68.2 | -177.3 | 167.5 | 0 | 0 | 113.3 | L50 | L50-E52 VanDerWaalsContact C-N 3.34Å |
| 53 | S | 49.9 | Very low | 46.4 | Very low | 85 Ų | 85 | 116.9 Ų | 116.9 | 59% | 0.594 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -91.7 | -14.4 | 177.9 | 55.9 | 0 | 0 | 0 | 0 | 114.3 | S49 L50 N55 | S49-S53 VanDerWaalsContact O-CB 3.29Å; S49-S53 WeakPolarHBondContact O-CB 3.37Å; S49-S53 PolarHBondContact O-N 3.34Å; S49-S53 VanDerWaalsContact O-N 3.1Å; S49-S53 PolarHBondContact O-OG 2.87Å; L50-S53 WeakPolarHBondContact CA-OG 3.38Å; L50-S53 PolarHBondContact O-N 3.42Å; L50-S53 PolarHBondContact O-OG 3.08Å; S53-N55 PolarHBondContact O-N 2.95Å; S53-N55 VanDerWaalsContact O-N 3.1Å |
| 54 | L | 50.7 | Low | 46.3 | Very low | 53 Ų | 53 | 110.8 Ų | 110.8 | 28% | 0.277 | 58% | 0.58 | S | S | . | * | trans | -76.3 | 97.2 | 173.4 | -79.4 | 164 | 0 | 0 | 0 | 110 | L50 L56 Y59 | L50-L54 WeakPolarHBondContact O-CB 3.4Å; L50-L54 WeakPolarHBondContact O-CD1 3.22Å; L50-L54 VanDerWaalsContact O-CG 3.22Å; L50-L54 WeakPolarHBondContact O-CG 3.33Å; L50-L54 PolarHBondContact O-N 3.09Å; L50-L54 VanDerWaalsContact O-N 3.11Å; L54-L56 VanDerWaalsContact C-N 3.31Å; L54-L56 HydrophobicContact CB-CD1 4.31Å; L54-L56 PolarHBondContact O-N 3.07Å; L54-Y59 HydrophobicContact CD2-CE2 3.9Å | ||
| 55 | N | 51.3 | Low | 46.7 | Very low | 75 Ų | 75 | 107 Ų | 107 | 40% | 0.401 | 57% | 0.566 | S | S | . | * | trans | -69 | 93 | 163.5 | -173.3 | 2.4 | 0 | 0 | 0 | 109.1 | S53 E57 L58 | S53-N55 PolarHBondContact O-N 2.95Å; S53-N55 VanDerWaalsContact O-N 3.1Å; N55-E57 PolarHBondContact O-N 2.78Å; N55-E57 VanDerWaalsContact O-N 3.09Å; N55-E57 VanDerWaalsContact OD1-CB 3.31Å; N55-E57 WeakPolarHBondContact OD1-CB 3.08Å; N55-E57 PolarHBondContact OD1-N 2.86Å; N55-L58 HydrophobicContact CB-CD1 3.9Å; N55-L58 HydrophobicContact CB-CG 4.1Å; N55-L58 WeakPolarHBondContact O-CB 3.33Å; N55-L58 PolarHBondContact O-N 3.23Å | ||
| 56 | L | 47.7 | Very low | 47.1 | Very low | 113 Ų | 113 | 106.5 Ų | 106.5 | 59% | 0.592 | 56% | 0.559 | S | S | * | * | G | 310 helix | trans | -54.7 | -26.2 | 179 | -101.4 | 81.4 | 0 | 0 | 0 | 112.7 | L54 L58 Y59 V60 | L54-L56 VanDerWaalsContact C-N 3.31Å; L54-L56 HydrophobicContact CB-CD1 4.31Å; L54-L56 PolarHBondContact O-N 3.07Å; L56-L58 PolarHBondContact O-N 3.02Å; L56-Y59 PolarHBondContact O-N 3.14Å; L56-Y59 VanDerWaalsContact O-N 3.11Å; L56-V60 PolarHBondContact O-N 3.45Å |
| 57 | E | 48.4 | Very low | 47.5 | Very low | 162 Ų | 162 | 106.8 Ų | 106.8 | 76% | 0.757 | 55% | 0.552 | S | S | * | * | G | 310 helix | trans | -61.5 | -25.4 | 176.8 | -60.9 | -176.9 | 161.4 | 0 | 0 | 112.7 | N55 Y59 | N55-E57 PolarHBondContact O-N 2.78Å; N55-E57 VanDerWaalsContact O-N 3.09Å; N55-E57 VanDerWaalsContact OD1-CB 3.31Å; N55-E57 WeakPolarHBondContact OD1-CB 3.08Å; N55-E57 PolarHBondContact OD1-N 2.86Å; E57-Y59 VanDerWaalsContact C-N 3.33Å |
| 58 | L | 44.1 | Very low | 48.1 | Very low | 132 Ų | 132 | 106.2 Ų | 106.2 | 69% | 0.691 | 55% | 0.547 | S | S | * | . | G | 310 helix | trans | -78.8 | -15.8 | 178.5 | -63.8 | 173.8 | 0 | 0 | 0 | 113.4 | N55 L56 | N55-L58 HydrophobicContact CB-CD1 3.9Å; N55-L58 HydrophobicContact CB-CG 4.1Å; N55-L58 WeakPolarHBondContact O-CB 3.33Å; N55-L58 PolarHBondContact O-N 3.23Å; L56-L58 PolarHBondContact O-N 3.02Å |
| 59 | Y | 47.1 | Very low | 49.3 | Very low | 151 Ų | 151 | 99 Ų | 99 | 59% | 0.592 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.8 | -0.1 | -176 | -64.2 | -85.2 | 0 | 0 | 0 | 113.2 | L54 L56 E57 S61 | L54-Y59 HydrophobicContact CD2-CE2 3.9Å; L56-Y59 PolarHBondContact O-N 3.14Å; L56-Y59 VanDerWaalsContact O-N 3.11Å; E57-Y59 VanDerWaalsContact C-N 3.33Å; Y59-S61 PolarHBondContact O-N 2.99Å |
| 60 | V | 42.4 | Very low | 49.8 | Very low | 94 Ų | 94 | 99.5 Ų | 99.5 | 57% | 0.57 | 53% | 0.533 | S | S | * | . | trans | -73.5 | 96.1 | 163.3 | -177.6 | 0 | 0 | 0 | 0 | 106.9 | L56 G62 | L56-V60 PolarHBondContact O-N 3.45Å; V60-G62 VanDerWaalsContact C-N 3.33Å; V60-G62 PolarHBondContact O-N 3.38Å | ||
| 61 | S | 38.8 | Very low | 50.4 | Low | 100 Ų | 100 | 106.5 Ų | 106.5 | 70% | 0.699 | 56% | 0.564 | S | S | * | * | trans | -66.9 | 96.8 | 167.4 | 31.5 | 0 | 0 | 0 | 0 | 107.9 | Y59 E63 | Y59-S61 PolarHBondContact O-N 2.99Å; S61-E63 PolarHBondContact O-N 3.46Å | ||
| 62 | G | 41.7 | Very low | 51.1 | Low | 42 Ų | 42 | 108.3 Ų | 108.3 | 43% | 0.433 | 58% | 0.575 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -61.2 | -10.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | V60 G64 | V60-G62 VanDerWaalsContact C-N 3.33Å; V60-G62 PolarHBondContact O-N 3.38Å; G62-G64 PolarHBondContact O-N 3.27Å |
| 63 | E | 40.5 | Very low | 52.6 | Low | 168 Ų | 168 | 101.5 Ų | 101.5 | 79% | 0.785 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -19.4 | -177.7 | -64 | -170.6 | 153.9 | 0 | 0 | 113.8 | S61 | S61-E63 PolarHBondContact O-N 3.46Š|
| 64 | G | 42.5 | Very low | 54.1 | Low | 41 Ų | 41 | 98.5 Ų | 98.5 | 42% | 0.423 | 52% | 0.521 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | -39.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115 | G62 E66 F68 | G62-G64 PolarHBondContact O-N 3.27Å; G64-E66 VanDerWaalsContact C-N 3.32Å; G64-E66 PolarHBondContact O-N 2.8Å; G64-F68 WeakPolarHBondContact O-CD2 3.42Å |
| 65 | D | 50.5 | Low | 55.9 | Low | 106 Ų | 106 | 96 Ų | 96 | 57% | 0.567 | 51% | 0.507 | S | S | * | . | G | 310 helix | trans | -80.9 | -10.6 | -175 | -79.2 | -15.8 | 0 | 0 | 0 | 113.6 | Y67 R76 | D65-Y67 PolarHBondContact O-N 3.32Å; D65-Y67 VanDerWaalsContact O-N 3.16Å; D65-R76 PolarHBondContact O-NH1 3.35Å |
| 66 | E | 55.1 | Low | 57.8 | Low | 55 Ų | 55 | 93.5 Ų | 93.5 | 26% | 0.257 | 49% | 0.492 | S | S | . | . | G | 310 helix | trans | -61.1 | -22 | 176.6 | -81.9 | -164.1 | 172.3 | 0 | 0 | 114 | G64 Y69 W78 R98 | G64-E66 VanDerWaalsContact C-N 3.32Å; G64-E66 PolarHBondContact O-N 2.8Å; E66-Y69 PolarHBondContact O-OH 3.03Å; E66-Y69 VanDerWaalsContact O-OH 3.09Å; E66-W78 HydrophobicContact CG-CZ2 4.44Å; E66-R98 IonicContact OE2-CZ 3.22Å; E66-R98 IonicContact OE2-NH1 3.66Å; E66-R98 PolarHBondContact OE2-NH1 3.38Å |
| 67 | Y | 58.5 | Low | 60 | Low | 130 Ų | 130 | 88.1 Ų | 88.1 | 51% | 0.51 | 46% | 0.464 | S | S | . | . | G | 310 helix | trans | -114 | 0.1 | -171 | -60.3 | -84.2 | 0 | 0 | 0 | 114.3 | D65 Y69 R98 | D65-Y67 PolarHBondContact O-N 3.32Å; D65-Y67 VanDerWaalsContact O-N 3.16Å; Y67-Y69 PolarHBondContact O-N 2.97Å; Y67-R98 PolarHBondContact OH-NH1 3.19Å; Y67-R98 VanDerWaalsContact OH-NH1 3.07Å; Y67-R98 PolarHBondContact OH-NH2 3.09Å |
| 68 | F | 60.7 | Low | 62.1 | Low | 130 Ų | 130 | 80.7 Ų | 80.7 | 57% | 0.57 | 43% | 0.429 | S | S | * | . | trans | -86.4 | 108.7 | 173.3 | -75.8 | -82.7 | 0 | 0 | 0 | 110.3 | G64 | G64-F68 WeakPolarHBondContact O-CD2 3.42Š| ||
| 69 | Y | 68.2 | Low | 64.5 | Low | 61 Ų | 61 | 74.5 Ų | 74.5 | 24% | 0.239 | 40% | 0.396 | C | S | . | . | trans | -108.6 | 126.8 | 175.7 | -52.4 | -58.3 | 0 | 0 | 0 | 108.9 | E66 Y67 H73 R76 N99 | E66-Y69 PolarHBondContact O-OH 3.03Å; E66-Y69 VanDerWaalsContact O-OH 3.09Å; Y67-Y69 PolarHBondContact O-N 2.97Å; Y69-H73 AromaticContact CD1-CD2 3.94Å; Y69-H73 AromaticContact CD1-CE1 3.17Å; Y69-H73 WeakPolarHBondContact CD1-CE1 3.19Å; Y69-H73 AromaticContact CD1-CG 3.91Å; Y69-H73 AromaticContact CD1-ND1 3.47Å; Y69-H73 WeakPolarHBondContact CD1-ND1 3.15Å; Y69-H73 AromaticContact CD1-NE2 3.51Å; Y69-H73 AromaticContact CE1-CE1 3.63Å; Y69-H73 AromaticContact CG-CE1 3.92Å; Y69-H73 AromaticContact CG-ND1 3.73Å; Y69-R76 HydrophobicContact CE1-CB 4.47Å; Y69-N99 HydrophobicContact CD1-CB 4.23Å; Y69-N99 HydrophobicContact CD2-CB 3.81Å; Y69-N99 VanDerWaalsContact CD2-CG 3.45Å; Y69-N99 WeakPolarHBondContact CD2-ND2 3.22Å; Y69-N99 HydrophobicContact CE1-CB 3.97Å; Y69-N99 HydrophobicContact CE2-CB 3.5Å; Y69-N99 HydrophobicContact CG-CB 4.17Å | ||
| 70 | G | 61.2 | Low | 66.7 | Low | 58 Ų | 58 | 70.4 Ų | 70.4 | 60% | 0.598 | 38% | 0.383 | S | S | * | . | trans | -66.8 | 166.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | N72 H73 | G70-N72 PolarHBondContact O-N 2.85Å; G70-H73 WeakPolarHBondContact O-CB 3.42Å; G70-H73 PolarHBondContact O-N 2.96Å | ||
| 71 | E | 59.8 | Low | 69.1 | Low | 191 Ų | 191 | 65.9 Ų | 65.9 | 89% | 0.893 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | 134.4 | 169.8 | -66.7 | -176.5 | 170.7 | 0 | 0 | 110 | ||
| 72 | N | 65.2 | Low | 71.6 | Confident | 150 Ų | 150 | 63.4 Ų | 63.4 | 80% | 0.802 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.6 | 20.4 | -175.8 | -49.9 | -53.2 | 0 | 0 | 0 | 116.9 | G70 | G70-N72 PolarHBondContact O-N 2.85Š|
| 73 | H | 79.4 | Confident | 73.9 | Confident | 35 Ų | 35 | 62.5 Ų | 62.5 | 16% | 0.162 | 32% | 0.317 | C | S | . | . | trans | -61.6 | 134.8 | 171.2 | -173.3 | -99.1 | 0 | 0 | 0 | 112.4 | Y69 G70 G75 R76 N99 D206 | Y69-H73 AromaticContact CD1-CD2 3.94Å; Y69-H73 AromaticContact CD1-CE1 3.17Å; Y69-H73 WeakPolarHBondContact CD1-CE1 3.19Å; Y69-H73 AromaticContact CD1-CG 3.91Å; Y69-H73 AromaticContact CD1-ND1 3.47Å; Y69-H73 WeakPolarHBondContact CD1-ND1 3.15Å; Y69-H73 AromaticContact CD1-NE2 3.51Å; Y69-H73 AromaticContact CE1-CE1 3.63Å; Y69-H73 AromaticContact CG-CE1 3.92Å; Y69-H73 AromaticContact CG-ND1 3.73Å; G70-H73 WeakPolarHBondContact O-CB 3.42Å; G70-H73 PolarHBondContact O-N 2.96Å; H73-G75 WeakPolarHBondContact CE1-CA 3.12Å; H73-G75 PolarHBondContact CE1-N 3.28Å; H73-G75 VanDerWaalsContact CE1-N 3.32Å; H73-G75 PolarHBondContact CE1-O 3.44Å; H73-G75 PolarHBondContact ND1-N 3.03Å; H73-G75 VanDerWaalsContact ND1-N 3.15Å; H73-G75 PolarHBondContact NE2-O 3.2Å; H73-R76 PolarHBondContact CE1-N 2.84Å; H73-N99 PolarHBondContact ND1-ND2 3.16Å; H73-D206 IonicContact CD2-OD1 3.13Å; H73-D206 IonicContact CD2-OD2 2.79Å; H73-D206 IonicContact CE1-OD1 3.74Å; H73-D206 VanDerWaalsContact NE2-CG 3.25Å; H73-D206 IonicContact NE2-OD1 3.94Å; H73-D206 PolarHBondContact NE2-OD1 3.39Å; H73-D206 IonicContact NE2-OD2 3.75Å | ||
| 74 | I | 82 | Confident | 76.3 | Confident | 22 Ų | 22 | 56.9 Ų | 56.9 | 11% | 0.113 | 29% | 0.292 | C | S | . | . | trans | -106.6 | 1.2 | -174.7 | -59.7 | 141.2 | 0 | 0 | 0 | 111.7 | P101 V183 F207 K209 | I74-P101 HydrophobicContact CG2-CG 4.46Å; I74-P101 WeakPolarHBondContact O-CD 3.38Å; I74-V183 HydrophobicContact CG2-CG1 3.9Å; I74-V183 WeakPolarHBondContact CG2-O 3.2Å; I74-F207 HydrophobicContact CB-CB 4.21Å; I74-F207 HydrophobicContact CG2-CB 4.1Å; I74-K209 HydrophobicContact CD1-CB 4.24Å; I74-K209 HydrophobicContact CD1-CD 4.12Å; I74-K209 HydrophobicContact CD1-CG 3.61Å; I74-K209 HydrophobicContact CG1-CG 4.3Å | ||
| 75 | G | 88.5 | Confident | 78.4 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 29% | 0.292 | C | S | . | . | trans | 120.5 | 158.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | H73 R98 N99 D206 F207 | H73-G75 WeakPolarHBondContact CE1-CA 3.12Å; H73-G75 PolarHBondContact CE1-N 3.28Å; H73-G75 VanDerWaalsContact CE1-N 3.32Å; H73-G75 PolarHBondContact CE1-O 3.44Å; H73-G75 PolarHBondContact ND1-N 3.03Å; H73-G75 VanDerWaalsContact ND1-N 3.15Å; H73-G75 PolarHBondContact NE2-O 3.2Å; G75-R98 CarbonylContact C-O 3.58Å; G75-R98 WeakPolarHBondContact CA-O 3.33Å; G75-N99 VanDerWaalsContact CA-O 3.24Å; G75-N99 WeakPolarHBondContact CA-O 3.43Å; G75-N99 PolarHBondContact N-O 3.43Å; G75-D206 WeakPolarHBondContact O-CA 3.25Å; G75-F207 WeakPolarHBondContact O-CD2 3.32Å; G75-F207 PolarHBondContact O-N 3.11Å | ||
| 76 | R | 90.9 | Very high | 80.3 | Confident | 22 Ų | 22 | 61.1 Ų | 61.1 | 8% | 0.083 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 134.5 | 178.6 | -177.5 | 170.9 | -69.2 | 165.6 | 3 | 109.2 | D65 Y69 H73 W78 V97 R98 R205 D206 | D65-R76 PolarHBondContact O-NH1 3.35Å; Y69-R76 HydrophobicContact CE1-CB 4.47Å; H73-R76 PolarHBondContact CE1-N 2.84Å; R76-W78 HydrophobicContact CB-CH2 3.82Å; R76-W78 HydrophobicContact CB-CZ3 3.79Å; R76-W78 VanDerWaalsContact CD-CZ2 3.49Å; R76-W78 HydrophobicContact CG-CD2 4.47Å; R76-W78 HydrophobicContact CG-CE3 4.17Å; R76-W78 HydrophobicContact CG-CH2 3.6Å; R76-W78 HydrophobicContact CG-CZ2 3.94Å; R76-W78 HydrophobicContact CG-CZ3 3.73Å; R76-W78 WeakPolarHBondContact O-CZ3 3.48Å; R76-V97 CarbonylContact O-C 3.44Å; R76-V97 WeakPolarHBondContact O-CA 3.22Å; R76-V97 WeakPolarHBondContact O-CG1 3.22Å; R76-R98 PolarHBondContact N-O 2.93Å; R76-R98 PolarHBondContact O-N 2.91Å; R76-R205 WeakPolarHBondContact CA-O 3.46Å; R76-D206 WeakPolarHBondContact CB-OD1 3.31Å; R76-D206 WeakPolarHBondContact CG-OD1 3.33Å; R76-D206 IonicContact CZ-OD1 3.89Å; R76-D206 IonicContact CZ-OD2 3.16Å; R76-D206 IonicContact NE-OD1 2.89Å; R76-D206 PolarHBondContact NE-OD1 3.5Å; R76-D206 IonicContact NE-OD2 2.71Å; R76-D206 IonicContact NH2-OD1 3.44Å; R76-D206 PolarHBondContact NH2-OD1 2.99Å; R76-D206 IonicContact NH2-OD2 3.75Å; R76-D206 PolarHBondContact NH2-OD2 3.4Å; R76-D206 VanDerWaalsContact NH2-OD2 3.13Å |
| 77 | I | 93.7 | Very high | 82.1 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 144.1 | 174.6 | -174.3 | 168.7 | 0 | 0 | 0 | 110.4 | F79 V94 V97 L123 I169 V186 W204 R205 F207 | I77-F79 HydrophobicContact CD1-CD1 4.49Å; I77-F79 HydrophobicContact CG1-CD1 4.22Å; I77-F79 HydrophobicContact CG2-CD1 4.12Å; I77-F79 HydrophobicContact CG2-CE1 4.26Å; I77-V94 HydrophobicContact CD1-CG1 4.34Å; I77-V97 HydrophobicContact CB-CG2 3.94Å; I77-V97 HydrophobicContact CD1-CG2 4.17Å; I77-V97 HydrophobicContact CG1-CG2 3.81Å; I77-L123 HydrophobicContact CD1-CD1 3.68Å; I77-I169 HydrophobicContact CD1-CB 4.34Å; I77-I169 HydrophobicContact CD1-CD1 3.88Å; I77-I169 HydrophobicContact CD1-CG2 3.62Å; I77-V186 HydrophobicContact CG2-CB 4.43Å; I77-V186 HydrophobicContact CG2-CG2 3.77Å; I77-W204 WeakPolarHBondContact O-CA 3.21Å; I77-R205 HydrophobicContact CG2-CB 4.37Å; I77-R205 WeakPolarHBondContact CG2-O 3.48Å; I77-R205 PolarHBondContact N-O 3.11Å; I77-R205 PolarHBondContact O-N 3.01Å; I77-F207 HydrophobicContact CB-CE2 3.81Å; I77-F207 HydrophobicContact CB-CZ 3.83Å; I77-F207 HydrophobicContact CD1-CZ 4.13Å; I77-F207 HydrophobicContact CG2-CE2 4.25Å; I77-F207 HydrophobicContact CG2-CZ 4.12Å |
| 78 | W | 94 | Very high | 83.7 | Confident | 7 Ų | 7 | 65.1 Ų | 65.1 | 3% | 0.027 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 129.2 | 166.6 | -67.4 | -107.7 | 0 | 0 | 0 | 108.3 | E66 R76 D95 K96 R98 V203 W204 | E66-W78 HydrophobicContact CG-CZ2 4.44Å; R76-W78 HydrophobicContact CB-CH2 3.82Å; R76-W78 HydrophobicContact CB-CZ3 3.79Å; R76-W78 VanDerWaalsContact CD-CZ2 3.49Å; R76-W78 HydrophobicContact CG-CD2 4.47Å; R76-W78 HydrophobicContact CG-CE3 4.17Å; R76-W78 HydrophobicContact CG-CH2 3.6Å; R76-W78 HydrophobicContact CG-CZ2 3.94Å; R76-W78 HydrophobicContact CG-CZ3 3.73Å; R76-W78 WeakPolarHBondContact O-CZ3 3.48Å; W78-D95 HydrophobicContact CB-CB 4.48Å; W78-D95 PolarHBondContact O-N 2.87Å; W78-D95 VanDerWaalsContact O-N 3.17Å; W78-K96 HydrophobicContact CB-CG 4.15Å; W78-K96 HydrophobicContact CD2-CG 4.06Å; W78-K96 HydrophobicContact CE3-CD 4.45Å; W78-K96 HydrophobicContact CE3-CG 3.69Å; W78-K96 HydrophobicContact CG-CG 4.27Å; W78-K96 HydrophobicContact CZ3-CG 4.42Å; W78-K96 PolarHBondContact N-O 2.87Å; W78-R98 HydrophobicContact CH2-CB 3.91Å; W78-R98 HydrophobicContact CH2-CG 3.98Å; W78-R98 HydrophobicContact CZ3-CB 3.66Å; W78-R98 HydrophobicContact CZ3-CG 3.69Å; W78-V203 WeakPolarHBondContact CA-O 3.39Å; W78-W204 HydrophobicContact CD2-CB 4.49Å; W78-W204 HydrophobicContact CG-CB 4.2Å |
| 79 | F | 94.2 | Very high | 85.1 | Confident | 1 Ų | 1 | 63.4 Ų | 63.4 | 0% | 0.004 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 153.5 | 177.8 | 63.9 | -79.3 | 0 | 0 | 0 | 110 | I77 I81 I92 W93 L167 I169 Y188 V203 R205 | I77-F79 HydrophobicContact CD1-CD1 4.49Å; I77-F79 HydrophobicContact CG1-CD1 4.22Å; I77-F79 HydrophobicContact CG2-CD1 4.12Å; I77-F79 HydrophobicContact CG2-CE1 4.26Å; F79-I81 HydrophobicContact CD2-CD1 4.38Å; F79-I81 HydrophobicContact CD2-CG1 3.92Å; F79-I81 HydrophobicContact CE2-CD1 3.75Å; F79-I81 HydrophobicContact CE2-CG1 3.81Å; F79-I92 HydrophobicContact CD2-CG2 4.36Å; F79-W93 CarbonylContact C-O 3.2Å; F79-W93 WeakPolarHBondContact CA-O 3.37Å; F79-W93 WeakPolarHBondContact CB-O 3.2Å; F79-L167 HydrophobicContact CD2-CD2 4.1Å; F79-L167 HydrophobicContact CE2-CD2 3.65Å; F79-L167 HydrophobicContact CZ-CD2 4.43Å; F79-I169 HydrophobicContact CB-CD1 4.45Å; F79-I169 HydrophobicContact CD1-CD1 3.98Å; F79-I169 HydrophobicContact CD2-CD1 4.1Å; F79-I169 HydrophobicContact CE1-CD1 4.22Å; F79-I169 HydrophobicContact CE2-CD1 4.29Å; F79-I169 HydrophobicContact CG-CD1 3.92Å; F79-I169 HydrophobicContact CZ-CD1 4.37Å; F79-Y188 HydrophobicContact CE2-CG 4.44Å; F79-Y188 HydrophobicContact CZ-CD2 4.26Å; F79-Y188 HydrophobicContact CZ-CG 4.16Å; F79-V203 HydrophobicContact CD1-CB 4.48Å; F79-V203 HydrophobicContact CD2-CB 4.48Å; F79-V203 HydrophobicContact CE1-CB 4.05Å; F79-V203 HydrophobicContact CE1-CG1 3.83Å; F79-V203 HydrophobicContact CE2-CB 4.09Å; F79-V203 HydrophobicContact CE2-CG1 4.31Å; F79-V203 HydrophobicContact CZ-CB 3.84Å; F79-V203 HydrophobicContact CZ-CG1 3.61Å; F79-V203 PolarHBondContact N-O 3.46Å; F79-V203 PolarHBondContact O-N 2.95Å; F79-R205 HydrophobicContact CE1-CG 4.33Å |
| 80 | E | 93.3 | Very high | 86.2 | Confident | 65 Ų | 65 | 60.5 Ų | 60.5 | 30% | 0.304 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 146.6 | 176 | -48.2 | 175.2 | -171.7 | 0 | 0 | 110 | I92 W93 L201 E202 | E80-I92 CarbonylContact O-C 3.59Å; E80-I92 WeakPolarHBondContact O-CA 3.17Å; E80-W93 HydrophobicContact CB-CB 4.07Å; E80-W93 HydrophobicContact CB-CE3 4.13Å; E80-W93 HydrophobicContact CG-CB 4.5Å; E80-W93 PolarHBondContact N-O 3.36Å; E80-W93 PolarHBondContact O-N 3.28Å; E80-L201 CarbonylContact C-O 3.55Å; E80-L201 VanDerWaalsContact CA-O 3.22Å; E80-L201 WeakPolarHBondContact CA-O 3.41Å; E80-E202 HydrophobicContact CG-CB 4.28Å; E80-E202 HydrophobicContact CG-CG 4.27Å |
| 81 | I | 91.8 | Very high | 87.8 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 131.3 | 177.7 | -50.7 | 177.4 | 0 | 0 | 0 | 108 | F79 L90 I92 Y188 Y193 L201 V203 | F79-I81 HydrophobicContact CD2-CD1 4.38Å; F79-I81 HydrophobicContact CD2-CG1 3.92Å; F79-I81 HydrophobicContact CE2-CD1 3.75Å; F79-I81 HydrophobicContact CE2-CG1 3.81Å; I81-L90 HydrophobicContact CG2-CD1 3.59Å; I81-I92 HydrophobicContact CB-CD1 4.31Å; I81-I92 HydrophobicContact CG1-CD1 3.99Å; I81-I92 HydrophobicContact CG2-CD1 3.92Å; I81-Y188 HydrophobicContact CD1-CD1 3.41Å; I81-Y188 VanDerWaalsContact CD1-CD1 3.41Å; I81-Y188 HydrophobicContact CD1-CE1 3.22Å; I81-Y188 HydrophobicContact CD1-CG 4.25Å; I81-Y193 HydrophobicContact CB-CD2 3.98Å; I81-Y193 HydrophobicContact CB-CE2 3.76Å; I81-Y193 HydrophobicContact CD1-CD2 4.4Å; I81-Y193 HydrophobicContact CG2-CD2 3.85Å; I81-Y193 HydrophobicContact CG2-CE2 3.72Å; I81-Y193 WeakPolarHBondContact O-CE2 3.44Å; I81-Y193 PolarHBondContact O-OH 2.68Å; I81-L201 PolarHBondContact N-O 3.47Å; I81-L201 PolarHBondContact O-N 2.98Å; I81-V203 HydrophobicContact CD1-CG2 4.36Å |
| 82 | E | 91.8 | Very high | 89.4 | Confident | 47 Ų | 47 | 49.7 Ų | 49.7 | 22% | 0.22 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 132.1 | 169.6 | 176.4 | 177.7 | -162.8 | 0 | 0 | 108.7 | S91 W93 H200 | E82-S91 PolarHBondContact N-O 3.46Å; E82-S91 PolarHBondContact O-N 3.08Å; E82-W93 HydrophobicContact CB-CZ3 4.46Å; E82-W93 WeakPolarHBondContact OE2-CH2 3.44Å; E82-H200 VanDerWaalsContact CD-CD2 3.4Å; E82-H200 IonicContact OE1-CD2 3.37Å; E82-H200 IonicContact OE1-NE2 3.56Å; E82-H200 PolarHBondContact OE1-NE2 3.34Å; E82-H200 IonicContact OE2-CD2 3.55Å; E82-H200 PolarHBondContact OE2-CD2 3.47Å; E82-H200 IonicContact OE2-NE2 2.86Å |
| 83 | F | 90.4 | Very high | 90.9 | Very high | 24 Ų | 24 | 46.7 Ų | 46.7 | 11% | 0.105 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 118.6 | 176.7 | -177.3 | -118.2 | 0 | 0 | 0 | 110.6 | A85 K89 L90 L157 P159 F162 Y193 | F83-A85 HydrophobicContact CD1-CB 4.35Å; F83-A85 HydrophobicContact CE1-CB 3.81Å; F83-A85 HydrophobicContact CZ-CB 4.42Å; F83-K89 WeakPolarHBondContact CD2-O 3.4Å; F83-L90 HydrophobicContact CB-CD1 4.1Å; F83-L90 HydrophobicContact CD2-CB 4.15Å; F83-L90 HydrophobicContact CD2-CD1 4.12Å; F83-L157 HydrophobicContact CE2-CB 4.15Å; F83-L157 HydrophobicContact CE2-CD2 4.25Å; F83-L157 HydrophobicContact CE2-CG 4.11Å; F83-L157 VanDerWaalsContact CE2-O 3.3Å; F83-L157 WeakPolarHBondContact CE2-O 3.37Å; F83-P159 HydrophobicContact CE1-CB 4.26Å; F83-P159 HydrophobicContact CE1-CG 4.21Å; F83-P159 HydrophobicContact CZ-CB 4.26Å; F83-P159 HydrophobicContact CZ-CG 3.96Å; F83-F162 HydrophobicContact CB-CE2 3.76Å; F83-F162 HydrophobicContact CB-CZ 4.4Å; F83-F162 AromaticContact CD1-CD2 3.68Å; F83-F162 HydrophobicContact CD1-CD2 3.68Å; F83-F162 AromaticContact CD1-CE2 3.69Å; F83-F162 HydrophobicContact CD1-CE2 3.69Å; F83-F162 AromaticContact CD2-CD2 3.88Å; F83-F162 HydrophobicContact CD2-CD2 3.88Å; F83-F162 AromaticContact CD2-CE2 3.8Å; F83-F162 HydrophobicContact CD2-CE2 3.8Å; F83-F162 AromaticContact CE1-CD2 3.73Å; F83-F162 HydrophobicContact CE1-CD2 3.73Å; F83-F162 HydrophobicContact CE1-CE2 4.23Å; F83-F162 HydrophobicContact CE1-CG 4.39Å; F83-F162 AromaticContact CE2-CD2 3.94Å; F83-F162 HydrophobicContact CE2-CD2 3.94Å; F83-F162 HydrophobicContact CE2-CE2 4.34Å; F83-F162 AromaticContact CG-CD2 3.76Å; F83-F162 HydrophobicContact CG-CD2 3.76Å; F83-F162 AromaticContact CG-CE2 3.45Å; F83-F162 HydrophobicContact CG-CE2 3.45Å; F83-F162 VanDerWaalsContact CG-CE2 3.45Å; F83-F162 HydrophobicContact CG-CZ 4.42Å; F83-F162 AromaticContact CZ-CD2 3.87Å; F83-F162 HydrophobicContact CZ-CD2 3.87Å; F83-Y193 HydrophobicContact CB-CE1 4.19Å |
| 84 | D | 90.3 | Very high | 91.6 | Very high | 49 Ų | 49 | 45.1 Ų | 45.1 | 26% | 0.262 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 99.6 | 172.8 | -174.6 | -21.1 | 0 | 0 | 0 | 108.8 | E86 R87 E88 K89 | D84-E86 VanDerWaalsContact C-N 3.29Å; D84-E86 PolarHBondContact O-N 3.08Å; D84-E86 PolarHBondContact OD1-N 2.9Å; D84-R87 HydrophobicContact CB-CB 4.29Å; D84-R87 PolarHBondContact O-N 2.8Å; D84-R87 PolarHBondContact OD1-N 2.9Å; D84-R87 VanDerWaalsContact OD1-N 3.07Å; D84-R87 WeakPolarHBondContact OD2-CD 3.3Å; D84-R87 VanDerWaalsContact OD2-CG 3.25Å; D84-R87 WeakPolarHBondContact OD2-CG 3.21Å; D84-R87 IonicContact OD2-NE 3.89Å; D84-E88 WeakPolarHBondContact O-CA 3.43Å; D84-E88 PolarHBondContact O-N 3.17Å; D84-K89 PolarHBondContact N-O 2.9Å; D84-K89 PolarHBondContact O-N 3.37Å |
| 85 | A | 87.9 | Confident | 92.2 | Very high | 51 Ų | 51 | 45.6 Ų | 45.6 | 42% | 0.421 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -27.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | F83 P159 | F83-A85 HydrophobicContact CD1-CB 4.35Å; F83-A85 HydrophobicContact CE1-CB 3.81Å; F83-A85 HydrophobicContact CZ-CB 4.42Å; A85-P159 HydrophobicContact CB-CG 3.91Å |
| 86 | E | 90.3 | Very high | 92.5 | Very high | 186 Ų | 186 | 47.7 Ų | 47.7 | 87% | 0.869 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -35.7 | 179.1 | -64.2 | -179.5 | -179.8 | 0 | 0 | 111.1 | D84 | D84-E86 VanDerWaalsContact C-N 3.29Å; D84-E86 PolarHBondContact O-N 3.08Å; D84-E86 PolarHBondContact OD1-N 2.9Å |
| 87 | R | 91.9 | Very high | 92.6 | Very high | 178 Ų | 178 | 46.6 Ų | 46.6 | 67% | 0.672 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.6 | -2.4 | 178.9 | -60.9 | -174.3 | -178.1 | 176.7 | -3.8 | 114 | D84 K89 | D84-R87 HydrophobicContact CB-CB 4.29Å; D84-R87 PolarHBondContact O-N 2.8Å; D84-R87 PolarHBondContact OD1-N 2.9Å; D84-R87 VanDerWaalsContact OD1-N 3.07Å; D84-R87 WeakPolarHBondContact OD2-CD 3.3Å; D84-R87 VanDerWaalsContact OD2-CG 3.25Å; D84-R87 WeakPolarHBondContact OD2-CG 3.21Å; D84-R87 IonicContact OD2-NE 3.89Å; R87-K89 VanDerWaalsContact C-N 3.26Å; R87-K89 HydrophobicContact CB-CB 4.33Å; R87-K89 HydrophobicContact CB-CD 4.1Å; R87-K89 HydrophobicContact CB-CG 4.25Å; R87-K89 WeakPolarHBondContact O-CG 3.2Å; R87-K89 PolarHBondContact O-N 3.43Å |
| 88 | E | 91.5 | Very high | 92.5 | Very high | 91 Ų | 91 | 49 Ų | 49 | 43% | 0.425 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.8 | 44.9 | -172 | -56.7 | -161.7 | 126.2 | 0 | 0 | 112.4 | D84 E156 L157 S158 P159 | D84-E88 WeakPolarHBondContact O-CA 3.43Å; D84-E88 PolarHBondContact O-N 3.17Å; E88-E156 CarbonylContact O-C 3.38Å; E88-E156 WeakPolarHBondContact O-CA 3.19Å; E88-L157 CarbonylContact C-O 3.52Å; E88-L157 WeakPolarHBondContact CA-O 3.32Å; E88-L157 PolarHBondContact O-N 2.79Å; E88-S158 WeakPolarHBondContact OE1-CA 3.46Å; E88-S158 VanDerWaalsContact OE1-CB 3.24Å; E88-S158 WeakPolarHBondContact OE1-CB 3.21Å; E88-S158 PolarHBondContact OE1-OG 2.87Å; E88-P159 WeakPolarHBondContact OE1-CD 3.03Å |
| 89 | K | 91.8 | Very high | 92.1 | Very high | 93 Ų | 93 | 51.6 Ų | 51.6 | 40% | 0.404 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 125.3 | -174.2 | -79.5 | 176.8 | -177 | -170.6 | 0 | 112.1 | F83 D84 R87 T154 F155 | F83-K89 WeakPolarHBondContact CD2-O 3.4Å; D84-K89 PolarHBondContact N-O 2.9Å; D84-K89 PolarHBondContact O-N 3.37Å; R87-K89 VanDerWaalsContact C-N 3.26Å; R87-K89 HydrophobicContact CB-CB 4.33Å; R87-K89 HydrophobicContact CB-CD 4.1Å; R87-K89 HydrophobicContact CB-CG 4.25Å; R87-K89 WeakPolarHBondContact O-CG 3.2Å; R87-K89 PolarHBondContact O-N 3.43Å; K89-T154 HydrophobicContact CB-CG2 3.86Å; K89-T154 HydrophobicContact CD-CG2 3.94Å; K89-T154 HydrophobicContact CG-CG2 3.78Å; K89-F155 WeakPolarHBondContact CA-O 3.41Å |
| 90 | L | 91 | Very high | 91.9 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 111.8 | 169.6 | -178.1 | 71 | 0 | 0 | 0 | 109.3 | I81 F83 I92 L127 T154 F155 L157 F162 L190 | I81-L90 HydrophobicContact CG2-CD1 3.59Å; F83-L90 HydrophobicContact CB-CD1 4.1Å; F83-L90 HydrophobicContact CD2-CB 4.15Å; F83-L90 HydrophobicContact CD2-CD1 4.12Å; L90-I92 HydrophobicContact CD1-CD1 4.31Å; L90-I92 HydrophobicContact CD2-CD1 4.09Å; L90-I92 HydrophobicContact CG-CD1 3.92Å; L90-I92 HydrophobicContact CG-CG1 4.43Å; L90-L127 HydrophobicContact CD2-CD1 3.89Å; L90-L127 HydrophobicContact CD2-CD2 4.31Å; L90-T154 CarbonylContact O-C 3.5Å; L90-T154 WeakPolarHBondContact O-CA 3.29Å; L90-F155 HydrophobicContact CB-CB 4.45Å; L90-F155 PolarHBondContact N-O 3.4Å; L90-F155 PolarHBondContact O-N 2.86Å; L90-L157 HydrophobicContact CB-CB 4.27Å; L90-L157 HydrophobicContact CB-CD2 4.3Å; L90-L157 HydrophobicContact CD2-CD2 4.04Å; L90-F162 HydrophobicContact CD1-CE2 4.15Å; L90-L190 HydrophobicContact CD1-CD1 4.48Å; L90-L190 HydrophobicContact CD2-CD1 3.7Å; L90-L190 HydrophobicContact CD2-CD2 4.39Å |
| 91 | S | 93.6 | Very high | 91.3 | Very high | 22 Ų | 22 | 50.8 Ų | 50.8 | 15% | 0.154 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 128.9 | 175.7 | -65.9 | 0 | 0 | 0 | 0 | 110.4 | E82 F153 | E82-S91 PolarHBondContact N-O 3.46Å; E82-S91 PolarHBondContact O-N 3.08Å; S91-F153 CarbonylContact C-O 3.51Å; S91-F153 WeakPolarHBondContact CA-O 3.49Å |
| 92 | I | 94.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 109.7 | 178.2 | -52.1 | -61.3 | 0 | 0 | 0 | 108 | F79 E80 I81 L90 V94 V125 V152 F153 F155 L167 | F79-I92 HydrophobicContact CD2-CG2 4.36Å; E80-I92 CarbonylContact O-C 3.59Å; E80-I92 WeakPolarHBondContact O-CA 3.17Å; I81-I92 HydrophobicContact CB-CD1 4.31Å; I81-I92 HydrophobicContact CG1-CD1 3.99Å; I81-I92 HydrophobicContact CG2-CD1 3.92Å; L90-I92 HydrophobicContact CD1-CD1 4.31Å; L90-I92 HydrophobicContact CD2-CD1 4.09Å; L90-I92 HydrophobicContact CG-CD1 3.92Å; L90-I92 HydrophobicContact CG-CG1 4.43Å; I92-V94 HydrophobicContact CG2-CG2 4.16Å; I92-V125 HydrophobicContact CG2-CG1 4.35Å; I92-V152 WeakPolarHBondContact O-CA 3.31Å; I92-F153 PolarHBondContact N-O 2.71Å; I92-F153 PolarHBondContact O-N 3.23Å; I92-F155 HydrophobicContact CG1-CD2 4.22Å; I92-F155 HydrophobicContact CG1-CE2 4.17Å; I92-L167 HydrophobicContact CD1-CD1 3.97Å; I92-L167 HydrophobicContact CD1-CD2 3.82Å; I92-L167 HydrophobicContact CG1-CD1 3.89Å; I92-L167 HydrophobicContact CG1-CD2 4.32Å; I92-L167 HydrophobicContact CG2-CD2 4.15Å |
| 93 | W | 95.9 | Very high | 89 | Confident | 88 Ų | 88 | 55 Ų | 55 | 33% | 0.333 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 116.7 | 170.6 | -82.6 | -63.4 | 0 | 0 | 0 | 109.8 | F79 E80 E82 V152 H200 | F79-W93 CarbonylContact C-O 3.2Å; F79-W93 WeakPolarHBondContact CA-O 3.37Å; F79-W93 WeakPolarHBondContact CB-O 3.2Å; E80-W93 HydrophobicContact CB-CB 4.07Å; E80-W93 HydrophobicContact CB-CE3 4.13Å; E80-W93 HydrophobicContact CG-CB 4.5Å; E80-W93 PolarHBondContact N-O 3.36Å; E80-W93 PolarHBondContact O-N 3.28Å; E82-W93 HydrophobicContact CB-CZ3 4.46Å; E82-W93 WeakPolarHBondContact OE2-CH2 3.44Å; W93-V152 HydrophobicContact CD2-CG2 4.25Å; W93-V152 HydrophobicContact CG-CB 4.29Å; W93-V152 HydrophobicContact CG-CG2 4.01Å; W93-H200 AromaticContact CZ3-CD2 3.73Å |
| 94 | V | 95.7 | Very high | 87 | Confident | 1 Ų | 1 | 58.1 Ų | 58.1 | 1% | 0.006 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 100.8 | 175.7 | -179.4 | 0 | 0 | 0 | 0 | 108.1 | I77 I92 L123 V125 T138 F149 D150 E151 F153 | I77-V94 HydrophobicContact CD1-CG1 4.34Å; I92-V94 HydrophobicContact CG2-CG2 4.16Å; V94-L123 HydrophobicContact CG1-CD1 3.47Å; V94-L123 VanDerWaalsContact CG1-CD1 3.47Å; V94-V125 HydrophobicContact CG2-CG2 4.02Å; V94-T138 HydrophobicContact CG1-CG2 4.3Å; V94-F149 HydrophobicContact CG1-CB 4.09Å; V94-F149 HydrophobicContact CG1-CD2 4.1Å; V94-F149 HydrophobicContact CG1-CG 4.32Å; V94-D150 WeakPolarHBondContact O-CA 3.45Å; V94-D150 PolarHBondContact O-N 3.38Å; V94-E151 PolarHBondContact N-O 2.93Å; V94-E151 PolarHBondContact O-N 2.81Å; V94-F153 HydrophobicContact CB-CE2 4.45Å; V94-F153 HydrophobicContact CG2-CD2 3.97Å; V94-F153 HydrophobicContact CG2-CE2 3.88Å |
| 95 | D | 94.5 | Very high | 84.5 | Confident | 32 Ų | 32 | 63.3 Ų | 63.3 | 17% | 0.171 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | -77.8 | -176.4 | 172 | 30 | 0 | 0 | 0 | 110.9 | W78 K148 F149 D150 | W78-D95 HydrophobicContact CB-CB 4.48Å; W78-D95 PolarHBondContact O-N 2.87Å; W78-D95 VanDerWaalsContact O-N 3.17Å; D95-K148 WeakPolarHBondContact OD1-CE 3.21Å; D95-F149 PolarHBondContact O-N 2.84Å; D95-D150 PolarHBondContact O-N 2.91Å; D95-D150 VanDerWaalsContact O-N 3.09Å |
| 96 | K | 93.9 | Very high | 82.3 | Confident | 44 Ų | 44 | 65.1 Ų | 65.1 | 19% | 0.191 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 157.2 | -170.4 | 70.4 | -163.3 | 172.6 | -158.4 | 0 | 111.7 | W78 K148 | W78-K96 HydrophobicContact CB-CG 4.15Å; W78-K96 HydrophobicContact CD2-CG 4.06Å; W78-K96 HydrophobicContact CE3-CD 4.45Å; W78-K96 HydrophobicContact CE3-CG 3.69Å; W78-K96 HydrophobicContact CG-CG 4.27Å; W78-K96 HydrophobicContact CZ3-CG 4.42Å; W78-K96 PolarHBondContact N-O 2.87Å; K96-K148 HydrophobicContact CB-CG 4.37Å |
| 97 | V | 93.8 | Very high | 80.2 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 144.1 | 166.3 | 175.2 | 0 | 0 | 0 | 0 | 108.3 | R76 I77 L100 L123 N146 P147 F149 F207 | R76-V97 CarbonylContact O-C 3.44Å; R76-V97 WeakPolarHBondContact O-CA 3.22Å; R76-V97 WeakPolarHBondContact O-CG1 3.22Å; I77-V97 HydrophobicContact CB-CG2 3.94Å; I77-V97 HydrophobicContact CD1-CG2 4.17Å; I77-V97 HydrophobicContact CG1-CG2 3.81Å; V97-L100 HydrophobicContact CB-CD1 4.47Å; V97-L100 HydrophobicContact CG1-CD1 3.74Å; V97-L100 HydrophobicContact CG1-CD2 3.75Å; V97-L100 HydrophobicContact CG1-CG 3.53Å; V97-L123 HydrophobicContact CG2-CD1 3.85Å; V97-L123 HydrophobicContact CG2-CD2 4.39Å; V97-N146 CarbonylContact O-C 3.51Å; V97-N146 WeakPolarHBondContact O-CA 3.43Å; V97-P147 HydrophobicContact CB-CG 4.01Å; V97-P147 PolarHBondContact N-O 3.32Å; V97-P147 WeakPolarHBondContact O-CD 3.47Å; V97-F149 HydrophobicContact CB-CE2 4.38Å; V97-F149 HydrophobicContact CG2-CD2 4.41Å; V97-F149 HydrophobicContact CG2-CE2 3.91Å; V97-F207 HydrophobicContact CG1-CE2 3.72Å; V97-F207 HydrophobicContact CG2-CE2 4.06Å; V97-F207 HydrophobicContact CG2-CZ 4.26Å |
| 98 | R | 90.6 | Very high | 77.8 | Confident | 51 Ų | 51 | 56.1 Ų | 56.1 | 19% | 0.192 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 157.4 | 174 | -67.8 | -173.5 | 169.3 | 161.4 | -1.9 | 111.9 | E66 Y67 G75 R76 W78 L100 N146 | E66-R98 IonicContact OE2-CZ 3.22Å; E66-R98 IonicContact OE2-NH1 3.66Å; E66-R98 PolarHBondContact OE2-NH1 3.38Å; Y67-R98 PolarHBondContact OH-NH1 3.19Å; Y67-R98 VanDerWaalsContact OH-NH1 3.07Å; Y67-R98 PolarHBondContact OH-NH2 3.09Å; G75-R98 CarbonylContact C-O 3.58Å; G75-R98 WeakPolarHBondContact CA-O 3.33Å; R76-R98 PolarHBondContact N-O 2.93Å; R76-R98 PolarHBondContact O-N 2.91Å; W78-R98 HydrophobicContact CH2-CB 3.91Å; W78-R98 HydrophobicContact CH2-CG 3.98Å; W78-R98 HydrophobicContact CZ3-CB 3.66Å; W78-R98 HydrophobicContact CZ3-CG 3.69Å; R98-L100 VanDerWaalsContact C-N 3.32Å; R98-L100 PolarHBondContact O-N 3.46Å; R98-N146 WeakPolarHBondContact CA-OD1 3.46Å; R98-N146 WeakPolarHBondContact CB-OD1 3.23Å; R98-N146 HydrophobicContact CG-CB 4.39Å |
| 99 | N | 87 | Confident | 75.7 | Confident | 60 Ų | 60 | 52.7 Ų | 52.7 | 32% | 0.321 | 30% | 0.296 | S | S | . | . | trans | 56.9 | 39.1 | 173.2 | -161.5 | 46.6 | 0 | 0 | 0 | 114.1 | Y69 H73 G75 L145 N146 | Y69-N99 HydrophobicContact CD1-CB 4.23Å; Y69-N99 HydrophobicContact CD2-CB 3.81Å; Y69-N99 VanDerWaalsContact CD2-CG 3.45Å; Y69-N99 WeakPolarHBondContact CD2-ND2 3.22Å; Y69-N99 HydrophobicContact CE1-CB 3.97Å; Y69-N99 HydrophobicContact CE2-CB 3.5Å; Y69-N99 HydrophobicContact CG-CB 4.17Å; H73-N99 PolarHBondContact ND1-ND2 3.16Å; G75-N99 VanDerWaalsContact CA-O 3.24Å; G75-N99 WeakPolarHBondContact CA-O 3.43Å; G75-N99 PolarHBondContact N-O 3.43Å; N99-L145 PolarHBondContact N-O 3.42Å; N99-N146 PolarHBondContact N-OD1 3.15Å | ||
| 100 | L | 88.5 | Confident | 73.5 | Confident | 2 Ų | 2 | 51.1 Ų | 51.1 | 1% | 0.01 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -64.9 | 144.7 | 169.9 | -71.7 | 168.2 | 0 | 0 | 0 | 109.9 | V97 R98 C102 F121 L145 P147 A171 V183 F207 | V97-L100 HydrophobicContact CB-CD1 4.47Å; V97-L100 HydrophobicContact CG1-CD1 3.74Å; V97-L100 HydrophobicContact CG1-CD2 3.75Å; V97-L100 HydrophobicContact CG1-CG 3.53Å; R98-L100 VanDerWaalsContact C-N 3.32Å; R98-L100 PolarHBondContact O-N 3.46Å; L100-C102 PolarHBondContact O-N 3.27Å; L100-F121 HydrophobicContact CB-CE1 4.19Å; L100-F121 HydrophobicContact CB-CE2 4.39Å; L100-F121 HydrophobicContact CB-CZ 4.02Å; L100-F121 HydrophobicContact CD1-CB 4.08Å; L100-F121 HydrophobicContact CD1-CD1 3.75Å; L100-F121 HydrophobicContact CD1-CD2 3.92Å; L100-F121 HydrophobicContact CD1-CE1 4.07Å; L100-F121 HydrophobicContact CD1-CE2 4.24Å; L100-F121 HydrophobicContact CD1-CG 3.65Å; L100-F121 HydrophobicContact CD1-CZ 4.3Å; L100-L145 WeakPolarHBondContact CB-O 3.33Å; L100-L145 PolarHBondContact N-O 3.33Å; L100-L145 VanDerWaalsContact N-O 3.08Å; L100-P147 HydrophobicContact CD1-CG 3.75Å; L100-A171 HydrophobicContact CD2-CB 4.36Å; L100-V183 HydrophobicContact CD2-CG1 4.2Å; L100-F207 HydrophobicContact CD2-CD2 4.4Å; L100-F207 HydrophobicContact CD2-CE2 4.38Å |
| 101 | P | 80.7 | Confident | 71.7 | Confident | 47 Ų | 47 | 54.7 Ų | 54.7 | 31% | 0.305 | 33% | 0.326 | S | S | . | . | P | Polyproline II helix | trans | -66.8 | 125.5 | -178.8 | 26 | -35.3 | 0 | 0 | 0 | 110.7 | I74 V183 | I74-P101 HydrophobicContact CG2-CG 4.46Å; I74-P101 WeakPolarHBondContact O-CD 3.38Å; P101-V183 HydrophobicContact CG-CG1 3.55Å |
| 102 | C | 70.7 | Confident | 69.7 | Low | 74 Ų | 74 | 56.3 Ų | 56.3 | 50% | 0.5 | 34% | 0.34 | S | S | . | . | P | Polyproline II helix | trans | -63.2 | 146 | 152.3 | -163.8 | 0 | 0 | 0 | 0 | 107.7 | L100 S104 L145 | L100-C102 PolarHBondContact O-N 3.27Å; C102-S104 PolarHBondContact O-N 3.07Å; C102-S104 VanDerWaalsContact O-N 3.08Å; C102-L145 HydrophobicContact CB-CD1 4.07Å; C102-L145 HydrophobicContact CB-CD2 4.35Å |
| 103 | R | 65.1 | Low | 67.7 | Low | 63 Ų | 63 | 57.9 Ų | 57.9 | 24% | 0.238 | 35% | 0.349 | C | S | . | . | P | Polyproline II helix | trans | -52.8 | 123.7 | 179.8 | -173.4 | 171.9 | 179.5 | -179.1 | -3.5 | 109.8 | E105 S107 C109 D117 | R103-E105 PolarHBondContact O-N 2.94Å; R103-S107 PolarHBondContact NH2-OG 2.99Å; R103-C109 PolarHBondContact NH1-SG 3.32Å; R103-C109 PolarHBondContact NH2-SG 3.34Å; R103-D117 WeakPolarHBondContact CD-OD2 3.44Å; R103-D117 IonicContact NH1-OD2 3.99Å; R103-D117 PolarHBondContact NH1-OD2 2.83Å |
| 104 | S | 48.4 | Very low | 65.5 | Low | 88 Ų | 88 | 60.8 Ų | 60.8 | 62% | 0.615 | 36% | 0.36 | S | S | * | . | P | Polyproline II helix | trans | -58.6 | 136.5 | 176.1 | 179.3 | 0 | 0 | 0 | 0 | 109.6 | C102 A106 S107 | C102-S104 PolarHBondContact O-N 3.07Å; C102-S104 VanDerWaalsContact O-N 3.08Å; S104-A106 PolarHBondContact O-N 3.38Å; S104-S107 PolarHBondContact O-N 3.11Å |
| 105 | E | 38.5 | Very low | 63.4 | Low | 158 Ų | 158 | 68.2 Ų | 68.2 | 74% | 0.738 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -6.4 | 179.1 | -57.4 | -162.5 | 132.1 | 0 | 0 | 114.5 | R103 S107 R114 | R103-E105 PolarHBondContact O-N 2.94Å; E105-S107 VanDerWaalsContact C-N 3.29Å; E105-S107 PolarHBondContact O-N 3.22Å; E105-R114 IonicContact OE1-NH1 3.43Å |
| 106 | A | 41.2 | Very low | 61.4 | Low | 90 Ų | 90 | 75.2 Ų | 75.2 | 74% | 0.744 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74 | -10.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | S104 | S104-A106 PolarHBondContact O-N 3.38Š|
| 107 | S | 45.9 | Very low | 59.8 | Low | 47 Ų | 47 | 74.4 Ų | 74.4 | 33% | 0.329 | 42% | 0.42 | S | S | . | . | S | Bend | trans | -92.5 | 124.5 | 173.4 | -163.4 | 0 | 0 | 0 | 0 | 110.2 | R103 S104 E105 C109 | R103-S107 PolarHBondContact NH2-OG 2.99Å; S104-S107 PolarHBondContact O-N 3.11Å; E105-S107 VanDerWaalsContact C-N 3.29Å; E105-S107 PolarHBondContact O-N 3.22Å; S107-C109 PolarHBondContact O-N 3.09Å |
| 108 | P | 41.8 | Very low | 58.5 | Low | 127 Ų | 127 | 75.8 Ų | 75.8 | 83% | 0.825 | 43% | 0.43 | S | S | * | . | trans | -75.1 | 68.8 | -179 | 32.3 | -34 | 0 | 0 | 0 | 109.8 | ||||
| 109 | C | 46.2 | Very low | 58.1 | Low | 19 Ų | 19 | 75.1 Ų | 75.1 | 13% | 0.128 | 43% | 0.431 | C | S | . | . | trans | -88.7 | 131.3 | 164.8 | -97.2 | 0 | 0 | 0 | 0 | 107.6 | R103 S107 D113 | R103-C109 PolarHBondContact NH1-SG 3.32Å; R103-C109 PolarHBondContact NH2-SG 3.34Å; S107-C109 PolarHBondContact O-N 3.09Å; C109-D113 HydrophobicContact CB-CB 3.52Å; C109-D113 VanDerWaalsContact SG-CB 3.6Å | ||
| 110 | S | 47.3 | Very low | 58.2 | Low | 60 Ų | 60 | 72.9 Ų | 72.9 | 42% | 0.42 | 42% | 0.419 | S | S | . | . | trans | -52.7 | 155.6 | 174.3 | 65.5 | 0 | 0 | 0 | 0 | 109.8 | A112 D113 R114 | S110-A112 PolarHBondContact O-N 3.22Å; S110-D113 PolarHBondContact N-OD2 2.87Å; S110-D113 WeakPolarHBondContact O-CA 3.06Å; S110-D113 WeakPolarHBondContact O-CB 3.08Å; S110-D113 PolarHBondContact O-N 3.4Å; S110-D113 VanDerWaalsContact OG-CG 3.24Å; S110-D113 PolarHBondContact OG-N 2.8Å; S110-D113 PolarHBondContact OG-OD2 2.71Å; S110-R114 PolarHBondContact O-N 3.32Å; S110-R114 VanDerWaalsContact O-N 3.11Å | ||
| 111 | A | 51.8 | Low | 58.4 | Low | 76 Ų | 76 | 72.8 Ų | 72.8 | 63% | 0.628 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -52.7 | -30.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | R114 L115 | A111-R114 PolarHBondContact O-N 3.13Å; A111-L115 PolarHBondContact O-N 2.86Å |
| 112 | A | 52.2 | Low | 59.1 | Low | 55 Ų | 55 | 70.8 Ų | 70.8 | 46% | 0.455 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -66.7 | -35.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | S110 L115 R116 | S110-A112 PolarHBondContact O-N 3.22Å; A112-L115 PolarHBondContact O-N 2.76Å; A112-R116 PolarHBondContact O-N 2.86Å |
| 113 | D | 51.4 | Low | 60.3 | Low | 33 Ų | 33 | 67.2 Ų | 67.2 | 18% | 0.176 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -73.7 | -34.2 | 175.2 | -67.5 | -41.4 | 0 | 0 | 0 | 112.1 | C109 S110 L115 R116 D117 | C109-D113 HydrophobicContact CB-CB 3.52Å; C109-D113 VanDerWaalsContact SG-CB 3.6Å; S110-D113 PolarHBondContact N-OD2 2.87Å; S110-D113 WeakPolarHBondContact O-CA 3.06Å; S110-D113 WeakPolarHBondContact O-CB 3.08Å; S110-D113 PolarHBondContact O-N 3.4Å; S110-D113 VanDerWaalsContact OG-CG 3.24Å; S110-D113 PolarHBondContact OG-N 2.8Å; S110-D113 PolarHBondContact OG-OD2 2.71Å; D113-L115 PolarHBondContact O-N 2.95Å; D113-R116 PolarHBondContact O-N 2.83Å; D113-D117 PolarHBondContact O-N 2.83Å |
| 114 | R | 50.3 | Low | 61.6 | Low | 150 Ų | 150 | 66.7 Ų | 66.7 | 57% | 0.566 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -61.8 | -33.7 | 173 | -60.2 | -173.4 | -163.1 | -161.3 | 2.5 | 112 | E105 S110 A111 R116 | E105-R114 IonicContact OE1-NH1 3.43Å; S110-R114 PolarHBondContact O-N 3.32Å; S110-R114 VanDerWaalsContact O-N 3.11Å; A111-R114 PolarHBondContact O-N 3.13Å; R114-R116 VanDerWaalsContact C-N 3.32Å |
| 115 | L | 51.2 | Low | 63.8 | Low | 157 Ų | 157 | 62.5 Ų | 62.5 | 82% | 0.822 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -72.8 | -23.3 | 173.8 | -86.2 | 153.8 | 0 | 0 | 0 | 113.2 | A111 A112 D113 | A111-L115 PolarHBondContact O-N 2.86Å; A112-L115 PolarHBondContact O-N 2.76Å; D113-L115 PolarHBondContact O-N 2.95Å |
| 116 | R | 54.1 | Low | 66.1 | Low | 179 Ų | 179 | 56.1 Ų | 56.1 | 68% | 0.675 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -94.3 | -18.9 | 179.9 | -76.5 | -179.1 | 178.3 | 177.8 | 0.8 | 113.8 | A112 D113 R114 S118 A176 | A112-R116 PolarHBondContact O-N 2.86Å; D113-R116 PolarHBondContact O-N 2.83Å; R114-R116 VanDerWaalsContact C-N 3.32Å; R116-S118 PolarHBondContact O-N 2.82Å; R116-A176 HydrophobicContact CB-CB 3.99Å |
| 117 | D | 58.9 | Low | 68.1 | Low | 26 Ų | 26 | 52.7 Ų | 52.7 | 14% | 0.139 | 29% | 0.288 | C | S | . | . | trans | -67.8 | 104.6 | -178.6 | -141.6 | -13.4 | 0 | 0 | 0 | 109.5 | R103 D113 N119 A176 | R103-D117 WeakPolarHBondContact CD-OD2 3.44Å; R103-D117 IonicContact NH1-OD2 3.99Å; R103-D117 PolarHBondContact NH1-OD2 2.83Å; D113-D117 PolarHBondContact O-N 2.83Å; D117-N119 PolarHBondContact O-N 2.89Å; D117-A176 PolarHBondContact OD1-N 2.8Å | ||
| 118 | S | 67.6 | Low | 69.4 | Low | 30 Ų | 30 | 51.7 Ų | 51.7 | 21% | 0.21 | 28% | 0.281 | C | S | . | . | trans | -82 | 115.9 | 177.2 | 59.6 | 0 | 0 | 0 | 0 | 107.2 | R116 D120 I174 | R116-S118 PolarHBondContact O-N 2.82Å; S118-D120 WeakPolarHBondContact CB-OD1 3.39Å; S118-D120 PolarHBondContact O-N 2.85Å; S118-D120 PolarHBondContact OG-OD2 2.86Å; S118-I174 VanDerWaalsContact O-O 3.1Å | ||
| 119 | N | 81.6 | Confident | 70.4 | Confident | 37 Ų | 37 | 50.2 Ų | 50.2 | 20% | 0.198 | 27% | 0.271 | C | S | . | . | trans | -66.8 | 63.6 | 171.7 | -75 | -39.2 | 0 | 0 | 0 | 110.3 | D117 F121 R143 T144 L145 | D117-N119 PolarHBondContact O-N 2.89Å; N119-F121 HydrophobicContact CB-CE2 3.9Å; N119-F121 WeakPolarHBondContact O-CD2 3.3Å; N119-R143 WeakPolarHBondContact O-CA 3.24Å; N119-R143 PolarHBondContact O-N 2.92Å; N119-T144 PolarHBondContact O-N 3.37Å; N119-L145 HydrophobicContact CB-CD2 4.09Å | ||
| 120 | D | 89.7 | Confident | 71 | Confident | 13 Ų | 13 | 53.7 Ų | 53.7 | 7% | 0.07 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 111 | -169.8 | -74.9 | 14.9 | 0 | 0 | 0 | 107.9 | S118 T140 R141 R142 R143 R173 I174 | S118-D120 WeakPolarHBondContact CB-OD1 3.39Å; S118-D120 PolarHBondContact O-N 2.85Å; S118-D120 PolarHBondContact OG-OD2 2.86Å; D120-T140 HydrophobicContact CB-CG2 4.06Å; D120-R141 CarbonylContact C-O 3.56Å; D120-R141 WeakPolarHBondContact CA-O 3.1Å; D120-R142 HydrophobicContact CB-CG 4.44Å; D120-R142 WeakPolarHBondContact OD1-CA 3.39Å; D120-R142 WeakPolarHBondContact OD1-CB 3.38Å; D120-R142 VanDerWaalsContact OD2-CD 3.3Å; D120-R142 WeakPolarHBondContact OD2-CD 3.33Å; D120-R142 VanDerWaalsContact OD2-CG 3.25Å; D120-R142 WeakPolarHBondContact OD2-CG 3.3Å; D120-R142 IonicContact OD2-NE 3.53Å; D120-R143 PolarHBondContact OD1-N 3.02Å; D120-R173 CarbonylContact O-C 3.56Å; D120-R173 WeakPolarHBondContact O-CA 3.46Å; D120-I174 HydrophobicContact CB-CB 4.17Å; D120-I174 PolarHBondContact O-N 3.4Å |
| 121 | F | 92.8 | Very high | 71 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 146.5 | -173.3 | -60.1 | -89.4 | 0 | 0 | 0 | 111.9 | L100 N119 T140 R141 T144 L145 P147 Y172 R173 V183 | L100-F121 HydrophobicContact CB-CE1 4.19Å; L100-F121 HydrophobicContact CB-CE2 4.39Å; L100-F121 HydrophobicContact CB-CZ 4.02Å; L100-F121 HydrophobicContact CD1-CB 4.08Å; L100-F121 HydrophobicContact CD1-CD1 3.75Å; L100-F121 HydrophobicContact CD1-CD2 3.92Å; L100-F121 HydrophobicContact CD1-CE1 4.07Å; L100-F121 HydrophobicContact CD1-CE2 4.24Å; L100-F121 HydrophobicContact CD1-CG 3.65Å; L100-F121 HydrophobicContact CD1-CZ 4.3Å; N119-F121 HydrophobicContact CB-CE2 3.9Å; N119-F121 WeakPolarHBondContact O-CD2 3.3Å; F121-T140 CarbonylContact O-C 3.38Å; F121-T140 WeakPolarHBondContact O-CA 3.44Å; F121-R141 PolarHBondContact N-O 3.43Å; F121-R141 PolarHBondContact O-N 2.79Å; F121-T144 WeakPolarHBondContact CD2-O 3.47Å; F121-T144 WeakPolarHBondContact CE2-O 3.2Å; F121-L145 HydrophobicContact CE2-CD2 3.94Å; F121-L145 HydrophobicContact CZ-CD2 4.12Å; F121-P147 HydrophobicContact CB-CG 4.46Å; F121-Y172 WeakPolarHBondContact CA-O 3.49Å; F121-R173 HydrophobicContact CD1-CB 3.84Å; F121-R173 HydrophobicContact CD1-CG 4.26Å; F121-R173 HydrophobicContact CE1-CB 3.66Å; F121-R173 HydrophobicContact CE1-CG 3.85Å; F121-R173 HydrophobicContact CZ-CG 4.22Å; F121-V183 HydrophobicContact CD1-CG2 4.08Å; F121-V183 HydrophobicContact CE1-CG2 3.84Å |
| 122 | F | 94.8 | Very high | 70.8 | Confident | 4 Ų | 4 | 56.1 Ų | 56.1 | 2% | 0.018 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 160.6 | 166.7 | 66 | -88.3 | 0 | 0 | 0 | 109 | R124 Q137 Y172 I174 I180 | F122-R124 HydrophobicContact CD2-CG 4.37Å; F122-R124 HydrophobicContact CE2-CG 4.05Å; F122-Q137 HydrophobicContact CD2-CG 3.59Å; F122-Q137 HydrophobicContact CE2-CG 4.02Å; F122-Y172 HydrophobicContact CD2-CD2 4.33Å; F122-Y172 AromaticContact CE2-CD2 3.7Å; F122-Y172 HydrophobicContact CE2-CD2 3.7Å; F122-Y172 AromaticContact CE2-CG 3.91Å; F122-Y172 HydrophobicContact CE2-CG 3.91Å; F122-Y172 VanDerWaalsContact CZ-CB 3.44Å; F122-Y172 HydrophobicContact CZ-CD2 4.13Å; F122-Y172 AromaticContact CZ-CG 3.84Å; F122-Y172 HydrophobicContact CZ-CG 3.84Å; F122-Y172 PolarHBondContact N-O 3Å; F122-Y172 VanDerWaalsContact N-O 3.08Å; F122-Y172 PolarHBondContact O-N 2.9Å; F122-I174 HydrophobicContact CD1-CD1 4.23Å; F122-I174 HydrophobicContact CD1-CG1 4.14Å; F122-I174 HydrophobicContact CE1-CD1 4.2Å; F122-I174 HydrophobicContact CE1-CG1 3.88Å; F122-I180 HydrophobicContact CE1-CD1 4.4Å; F122-I180 HydrophobicContact CE1-CG1 4.16Å; F122-I180 HydrophobicContact CE1-CG2 4.15Å; F122-I180 HydrophobicContact CZ-CD1 4Å; F122-I180 HydrophobicContact CZ-CG1 4.1Å; F122-I180 HydrophobicContact CZ-CG2 3.63Å |
| 123 | L | 95.3 | Very high | 71 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 146.5 | 178.5 | -53.3 | 177.6 | 0 | 0 | 0 | 109.8 | I77 V94 V97 Q137 T138 F149 I169 V170 A171 F207 | I77-L123 HydrophobicContact CD1-CD1 3.68Å; V94-L123 HydrophobicContact CG1-CD1 3.47Å; V94-L123 VanDerWaalsContact CG1-CD1 3.47Å; V97-L123 HydrophobicContact CG2-CD1 3.85Å; V97-L123 HydrophobicContact CG2-CD2 4.39Å; L123-Q137 WeakPolarHBondContact O-CA 3.42Å; L123-T138 HydrophobicContact CB-CG2 3.85Å; L123-T138 HydrophobicContact CG-CG2 4.43Å; L123-T138 PolarHBondContact N-OG1 2.91Å; L123-T138 PolarHBondContact O-N 2.88Å; L123-F149 HydrophobicContact CD1-CD2 3.64Å; L123-F149 HydrophobicContact CD1-CE2 3.42Å; L123-F149 VanDerWaalsContact CD1-CE2 3.42Å; L123-F149 HydrophobicContact CD1-CG 4.43Å; L123-F149 HydrophobicContact CD1-CZ 4.07Å; L123-F149 HydrophobicContact CD2-CE2 4.24Å; L123-F149 HydrophobicContact CD2-CZ 4.33Å; L123-F149 HydrophobicContact CG-CD2 4.19Å; L123-F149 HydrophobicContact CG-CE1 4.4Å; L123-F149 HydrophobicContact CG-CE2 3.58Å; L123-F149 HydrophobicContact CG-CZ 3.71Å; L123-I169 HydrophobicContact CB-CG2 4.22Å; L123-I169 HydrophobicContact CD1-CG2 4.3Å; L123-V170 CarbonylContact C-O 3.51Å; L123-V170 VanDerWaalsContact CA-O 3.28Å; L123-V170 WeakPolarHBondContact CA-O 3.36Å; L123-A171 VanDerWaalsContact CD2-CA 3.48Å; L123-A171 HydrophobicContact CD2-CB 3.52Å; L123-F207 HydrophobicContact CD2-CZ 4.17Å |
| 124 | R | 93.4 | Very high | 71.9 | Confident | 52 Ų | 52 | 65.3 Ų | 65.3 | 20% | 0.196 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 133.8 | 163.5 | -70.2 | -175.6 | 177.5 | 166.8 | -6.8 | 109.8 | F122 Y126 F135 A136 Q137 I169 V170 Y172 | F122-R124 HydrophobicContact CD2-CG 4.37Å; F122-R124 HydrophobicContact CE2-CG 4.05Å; R124-Y126 HydrophobicContact CB-CD2 4.25Å; R124-Y126 HydrophobicContact CB-CE2 3.39Å; R124-Y126 WeakPolarHBondContact CD-OH 3.46Å; R124-F135 HydrophobicContact CB-CD2 4.33Å; R124-F135 HydrophobicContact CG-CD2 3.92Å; R124-F135 HydrophobicContact CG-CE2 4.21Å; R124-A136 CarbonylContact C-O 3.56Å; R124-A136 VanDerWaalsContact CA-O 3.3Å; R124-A136 WeakPolarHBondContact CA-O 3.36Å; R124-Q137 HydrophobicContact CG-CB 4.31Å; R124-Q137 HydrophobicContact CG-CG 3.93Å; R124-I169 CarbonylContact O-C 3.58Å; R124-I169 WeakPolarHBondContact O-CA 3.47Å; R124-V170 PolarHBondContact N-O 2.89Å; R124-V170 PolarHBondContact O-N 2.78Å; R124-Y172 HydrophobicContact CB-CD2 4.43Å; R124-Y172 HydrophobicContact CB-CE2 4Å; R124-Y172 HydrophobicContact CG-CD2 4.1Å; R124-Y172 HydrophobicContact CG-CE2 3.88Å |
| 125 | V | 93.2 | Very high | 73.6 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 124.6 | -179.7 | -174.2 | 0 | 0 | 0 | 0 | 108 | I92 V94 F135 A136 F153 F155 L167 I169 | I92-V125 HydrophobicContact CG2-CG1 4.35Å; V94-V125 HydrophobicContact CG2-CG2 4.02Å; V125-F135 CarbonylContact O-C 3.52Å; V125-F135 VanDerWaalsContact O-CA 3.25Å; V125-F135 WeakPolarHBondContact O-CA 3.28Å; V125-F135 WeakPolarHBondContact O-CB 3.37Å; V125-A136 PolarHBondContact N-O 2.82Å; V125-A136 PolarHBondContact O-N 3.17Å; V125-F153 HydrophobicContact CB-CD2 4.36Å; V125-F153 HydrophobicContact CG2-CD2 3.81Å; V125-F153 HydrophobicContact CG2-CE2 3.97Å; V125-F155 HydrophobicContact CB-CE2 4.44Å; V125-F155 HydrophobicContact CB-CZ 4.15Å; V125-F155 HydrophobicContact CG1-CE2 3.75Å; V125-F155 HydrophobicContact CG1-CZ 3.83Å; V125-L167 HydrophobicContact CG1-CD1 3.58Å; V125-L167 HydrophobicContact CG1-CG 4.36Å; V125-I169 HydrophobicContact CG1-CG1 4.29Å; V125-I169 HydrophobicContact CG2-CG1 4.32Å; V125-I169 HydrophobicContact CG2-CG2 4.36Å |
| 126 | Y | 87.7 | Confident | 75.6 | Confident | 23 Ų | 23 | 55.1 Ų | 55.1 | 9% | 0.09 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 148.3 | -178.6 | -55 | -104.4 | 0 | 0 | 0 | 109.7 | R124 F135 L167 K168 V170 | R124-Y126 HydrophobicContact CB-CD2 4.25Å; R124-Y126 HydrophobicContact CB-CE2 3.39Å; R124-Y126 WeakPolarHBondContact CD-OH 3.46Å; Y126-F135 HydrophobicContact CD1-CB 3.52Å; Y126-F135 HydrophobicContact CD1-CG 4.47Å; Y126-F135 HydrophobicContact CD2-CB 4.46Å; Y126-F135 HydrophobicContact CE1-CB 3.44Å; Y126-F135 VanDerWaalsContact CE1-CB 3.44Å; Y126-F135 AromaticContact CE1-CD1 3.93Å; Y126-F135 HydrophobicContact CE1-CD1 3.93Å; Y126-F135 AromaticContact CE1-CG 3.93Å; Y126-F135 HydrophobicContact CE1-CG 3.93Å; Y126-F135 HydrophobicContact CE2-CB 4.38Å; Y126-F135 HydrophobicContact CG-CB 4.04Å; Y126-L167 WeakPolarHBondContact O-CA 3.24Å; Y126-K168 PolarHBondContact N-O 2.74Å; Y126-K168 PolarHBondContact O-N 3.2Å; Y126-V170 HydrophobicContact CD2-CG2 4.25Å; Y126-V170 HydrophobicContact CE2-CB 4.4Å; Y126-V170 HydrophobicContact CE2-CG2 3.85Å |
| 127 | L | 83.9 | Confident | 77.4 | Confident | 18 Ų | 18 | 50.5 Ų | 50.5 | 9% | 0.094 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 130.8 | 170.4 | -174.2 | 65.3 | 0 | 0 | 0 | 108.8 | L90 F155 L157 R165 L190 | L90-L127 HydrophobicContact CD2-CD1 3.89Å; L90-L127 HydrophobicContact CD2-CD2 4.31Å; L127-F155 HydrophobicContact CB-CD1 4.15Å; L127-F155 HydrophobicContact CB-CG 4.37Å; L127-F155 HydrophobicContact CD2-CB 3.87Å; L127-F155 HydrophobicContact CD2-CG 4.35Å; L127-L157 HydrophobicContact CD2-CB 4.31Å; L127-L157 HydrophobicContact CD2-CD2 4.37Å; L127-R165 HydrophobicContact CD1-CB 4.01Å; L127-L190 HydrophobicContact CD1-CD1 4Å |
| 128 | S | 72 | Confident | 79.2 | Confident | 27 Ų | 27 | 49.4 Ų | 49.4 | 19% | 0.189 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -54.5 | 145.7 | 177.2 | 178.5 | 0 | 0 | 0 | 0 | 111.8 | R165 C166 | S128-R165 WeakPolarHBondContact O-CD 3.38Å; S128-R165 PolarHBondContact O-NE 3.07Å; S128-R165 PolarHBondContact O-NH1 3.41Å; S128-C166 PolarHBondContact N-O 2.92Å |
| 129 | P | 64.1 | Low | 80.5 | Confident | 96 Ų | 96 | 54.9 Ų | 54.9 | 62% | 0.623 | 29% | 0.286 | S | S | * | . | S | Bend | cis | -71.9 | 134.8 | -1.4 | 31 | -20.8 | 0 | 0 | 0 | 108.6 | G131 | P129-G131 PolarHBondContact O-N 3.1Š|
| 130 | F | 57.6 | Low | 81.1 | Confident | 91 Ų | 91 | 55.5 Ų | 55.5 | 40% | 0.399 | 29% | 0.291 | S | S | . | . | trans | -71.4 | 81.3 | -173.8 | -53.7 | -58.9 | 0 | 0 | 0 | 110.1 | C166 K168 L187 | F130-C166 VanDerWaalsContact CE1-O 3.25Å; F130-C166 WeakPolarHBondContact CE1-O 3.11Å; F130-C166 HydrophobicContact CZ-CB 3.98Å; F130-C166 WeakPolarHBondContact CZ-O 3.41Å; F130-K168 HydrophobicContact CD1-CB 4.02Å; F130-K168 HydrophobicContact CE1-CB 3.41Å; F130-K168 VanDerWaalsContact CE1-CB 3.41Å; F130-K168 HydrophobicContact CZ-CB 3.75Å; F130-L187 HydrophobicContact CE2-CD2 4.5Å; F130-L187 HydrophobicContact CZ-CD2 4.2Å | ||
| 131 | G | 48.2 | Very low | 81.3 | Confident | 36 Ų | 36 | 59.4 Ų | 59.4 | 37% | 0.371 | 31% | 0.305 | S | S | . | . | trans | -87.3 | 139 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | P129 K133 C134 | P129-G131 PolarHBondContact O-N 3.1Å; G131-K133 PolarHBondContact O-N 3.26Å; G131-C134 PolarHBondContact O-N 2.74Å | ||
| 132 | D | 48 | Very low | 81.1 | Confident | 151 Ų | 151 | 68.3 Ų | 68.3 | 81% | 0.807 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -12.5 | -174.6 | -66.8 | -29 | 0 | 0 | 0 | 115.4 | ||
| 133 | K | 55.8 | Low | 80.6 | Confident | 194 Ų | 194 | 78.6 Ų | 78.6 | 84% | 0.843 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.9 | -12.3 | -174.5 | -64.6 | -174.1 | 178.7 | -179.5 | 0 | 115.1 | G131 | G131-K133 PolarHBondContact O-N 3.26Š|
| 134 | C | 69.8 | Low | 80.2 | Confident | 87 Ų | 87 | 80.6 Ų | 80.6 | 59% | 0.588 | 39% | 0.39 | S | S | * | . | trans | -111.2 | 78.5 | -174.2 | -63.8 | 0 | 0 | 0 | 0 | 110.8 | G131 | G131-C134 PolarHBondContact O-N 2.74Š| ||
| 135 | F | 86.6 | Confident | 80 | Confident | 74 Ų | 74 | 80.5 Ų | 80.5 | 33% | 0.325 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 151.4 | 173.8 | 67.2 | -93.9 | 0 | 0 | 0 | 111.6 | R124 V125 Y126 Q137 | R124-F135 HydrophobicContact CB-CD2 4.33Å; R124-F135 HydrophobicContact CG-CD2 3.92Å; R124-F135 HydrophobicContact CG-CE2 4.21Å; V125-F135 CarbonylContact O-C 3.52Å; V125-F135 VanDerWaalsContact O-CA 3.25Å; V125-F135 WeakPolarHBondContact O-CA 3.28Å; V125-F135 WeakPolarHBondContact O-CB 3.37Å; Y126-F135 HydrophobicContact CD1-CB 3.52Å; Y126-F135 HydrophobicContact CD1-CG 4.47Å; Y126-F135 HydrophobicContact CD2-CB 4.46Å; Y126-F135 HydrophobicContact CE1-CB 3.44Å; Y126-F135 VanDerWaalsContact CE1-CB 3.44Å; Y126-F135 AromaticContact CE1-CD1 3.93Å; Y126-F135 HydrophobicContact CE1-CD1 3.93Å; Y126-F135 AromaticContact CE1-CG 3.93Å; Y126-F135 HydrophobicContact CE1-CG 3.93Å; Y126-F135 HydrophobicContact CE2-CB 4.38Å; Y126-F135 HydrophobicContact CG-CB 4.04Å; F135-Q137 HydrophobicContact CD2-CB 4.31Å; F135-Q137 HydrophobicContact CE2-CB 4.21Å |
| 136 | A | 92 | Very high | 79.8 | Confident | 20 Ų | 20 | 84.7 Ų | 84.7 | 17% | 0.165 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 148.4 | 165.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | R124 V125 F153 F155 | R124-A136 CarbonylContact C-O 3.56Å; R124-A136 VanDerWaalsContact CA-O 3.3Å; R124-A136 WeakPolarHBondContact CA-O 3.36Å; V125-A136 PolarHBondContact N-O 2.82Å; V125-A136 PolarHBondContact O-N 3.17Å; A136-F153 HydrophobicContact CB-CB 3.77Å; A136-F153 HydrophobicContact CB-CD1 3.29Å; A136-F153 HydrophobicContact CB-CD2 4.2Å; A136-F153 HydrophobicContact CB-CE1 3.85Å; A136-F153 HydrophobicContact CB-CG 3.47Å; A136-F153 VanDerWaalsContact CB-CG 3.47Å; A136-F155 HydrophobicContact CB-CE1 4.49Å; A136-F155 HydrophobicContact CB-CZ 3.91Å |
| 137 | Q | 93.8 | Very high | 80 | Confident | 81 Ų | 81 | 83.6 Ų | 83.6 | 38% | 0.379 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 134.2 | -175.8 | -167.5 | -177.1 | -81.9 | 0 | 0 | 110.5 | F122 L123 R124 F135 | F122-Q137 HydrophobicContact CD2-CG 3.59Å; F122-Q137 HydrophobicContact CE2-CG 4.02Å; L123-Q137 WeakPolarHBondContact O-CA 3.42Å; R124-Q137 HydrophobicContact CG-CB 4.31Å; R124-Q137 HydrophobicContact CG-CG 3.93Å; F135-Q137 HydrophobicContact CD2-CB 4.31Å; F135-Q137 HydrophobicContact CE2-CB 4.21Å |
| 138 | T | 95.8 | Very high | 80.5 | Confident | 4 Ų | 4 | 88.3 Ų | 88.3 | 3% | 0.025 | 43% | 0.431 | C | S | . | . | P | Polyproline II helix | trans | -73.1 | 164.3 | 173.4 | 70.4 | 0 | 0 | 0 | 0 | 111.5 | V94 L123 F149 E151 F153 | V94-T138 HydrophobicContact CG1-CG2 4.3Å; L123-T138 HydrophobicContact CB-CG2 3.85Å; L123-T138 HydrophobicContact CG-CG2 4.43Å; L123-T138 PolarHBondContact N-OG1 2.91Å; L123-T138 PolarHBondContact O-N 2.88Å; T138-F149 HydrophobicContact CG2-CB 4.28Å; T138-F149 HydrophobicContact CG2-CD1 3.87Å; T138-F149 HydrophobicContact CG2-CE1 4.44Å; T138-F149 HydrophobicContact CG2-CG 4.06Å; T138-F149 VanDerWaalsContact OG1-CD1 3.3Å; T138-F149 WeakPolarHBondContact OG1-CD1 3.24Å; T138-F149 WeakPolarHBondContact OG1-CE1 3.47Å; T138-E151 WeakPolarHBondContact CA-OE2 3.17Å; T138-F153 HydrophobicContact CG2-CE2 3.7Å; T138-F153 HydrophobicContact CG2-CZ 3.68Å |
| 139 | K | 95.1 | Very high | 81.6 | Confident | 145 Ų | 145 | 87 Ų | 87 | 63% | 0.63 | 42% | 0.422 | S | S | * | . | P | Polyproline II helix | trans | -62.9 | 146.4 | 163 | -63.9 | 172.7 | -174.8 | 170.8 | 0 | 109.7 | R141 F149 E151 | K139-R141 PolarHBondContact O-N 2.87Å; K139-F149 WeakPolarHBondContact O-CE1 3.33Å; K139-E151 WeakPolarHBondContact CB-OE1 3.5Å; K139-E151 PolarHBondContact N-OE1 2.78Å; K139-E151 PolarHBondContact N-OE2 2.77Å; K139-E151 VanDerWaalsContact N-OE2 3.17Å |
| 140 | T | 93.8 | Very high | 83 | Confident | 50 Ų | 50 | 87.5 Ų | 87.5 | 31% | 0.307 | 42% | 0.419 | S | S | . | . | P | Polyproline II helix | trans | -72.3 | 123.3 | 173.5 | -50.5 | 0 | 0 | 0 | 0 | 110.2 | D120 F121 R142 I174 | D120-T140 HydrophobicContact CB-CG2 4.06Å; F121-T140 CarbonylContact O-C 3.38Å; F121-T140 WeakPolarHBondContact O-CA 3.44Å; T140-R142 HydrophobicContact CG2-CG 4.47Å; T140-I174 HydrophobicContact CG2-CD1 3.79Å |
| 141 | R | 93.5 | Very high | 84.9 | Confident | 94 Ų | 94 | 84.6 Ų | 84.6 | 36% | 0.355 | 41% | 0.407 | S | S | . | . | B | Isolated β-bridge | trans | -96.8 | 120.6 | 172.9 | -63.3 | -58.9 | -176.3 | 169.8 | 4.7 | 108.7 | D120 F121 K139 T144 P147 K148 F149 | D120-R141 CarbonylContact C-O 3.56Å; D120-R141 WeakPolarHBondContact CA-O 3.1Å; F121-R141 PolarHBondContact N-O 3.43Å; F121-R141 PolarHBondContact O-N 2.79Å; K139-R141 PolarHBondContact O-N 2.87Å; R141-T144 HydrophobicContact CB-CG2 4.09Å; R141-P147 HydrophobicContact CB-CB 3.55Å; R141-P147 HydrophobicContact CG-CB 3.86Å; R141-K148 VanDerWaalsContact CZ-O 3.26Å; R141-K148 PolarHBondContact NE-O 3.04Å; R141-K148 PolarHBondContact NH2-O 3.08Å; R141-F149 HydrophobicContact CB-CE1 4.21Å; R141-F149 HydrophobicContact CG-CD1 3.71Å; R141-F149 HydrophobicContact CG-CE1 3.54Å; R141-F149 HydrophobicContact CG-CZ 4.28Å; R141-F149 PolarHBondContact NH2-O 3.36Å |
| 142 | R | 88.8 | Confident | 87.1 | Confident | 188 Ų | 188 | 86.3 Ų | 86.3 | 71% | 0.709 | 41% | 0.41 | S | S | * | . | P | Polyproline II helix | trans | -95.8 | 147.2 | -170.6 | -58.7 | -164.7 | 177.4 | 161.8 | 0.4 | 112.5 | D120 T140 T144 | D120-R142 HydrophobicContact CB-CG 4.44Å; D120-R142 WeakPolarHBondContact OD1-CA 3.39Å; D120-R142 WeakPolarHBondContact OD1-CB 3.38Å; D120-R142 VanDerWaalsContact OD2-CD 3.3Å; D120-R142 WeakPolarHBondContact OD2-CD 3.33Å; D120-R142 VanDerWaalsContact OD2-CG 3.25Å; D120-R142 WeakPolarHBondContact OD2-CG 3.3Å; D120-R142 IonicContact OD2-NE 3.53Å; T140-R142 HydrophobicContact CG2-CG 4.47Å; R142-T144 VanDerWaalsContact C-N 3.29Å; R142-T144 PolarHBondContact O-N 3.5Å |
| 143 | R | 84.4 | Confident | 89.4 | Confident | 219 Ų | 219 | 80.3 Ų | 80.3 | 83% | 0.826 | 38% | 0.377 | S | S | * | . | S | Bend | trans | 52.2 | 40.7 | 172 | -56.6 | 178.5 | 177.8 | 177.5 | -2.5 | 114.2 | N119 D120 | N119-R143 WeakPolarHBondContact O-CA 3.24Å; N119-R143 PolarHBondContact O-N 2.92Å; D120-R143 PolarHBondContact OD1-N 3.02Å |
| 144 | T | 87.5 | Confident | 91.2 | Very high | 43 Ų | 43 | 74.8 Ų | 74.8 | 26% | 0.264 | 36% | 0.359 | S | S | . | . | trans | -145.2 | 135.8 | 178.5 | -179.4 | 0 | 0 | 0 | 0 | 111.6 | N119 F121 R141 R142 N146 P147 | N119-T144 PolarHBondContact O-N 3.37Å; F121-T144 WeakPolarHBondContact CD2-O 3.47Å; F121-T144 WeakPolarHBondContact CE2-O 3.2Å; R141-T144 HydrophobicContact CB-CG2 4.09Å; R142-T144 VanDerWaalsContact C-N 3.29Å; R142-T144 PolarHBondContact O-N 3.5Å; T144-N146 VanDerWaalsContact C-N 3.32Å; T144-N146 PolarHBondContact OG1-N 2.92Å; T144-N146 VanDerWaalsContact OG1-N 3.08Å; T144-N146 PolarHBondContact OG1-O 2.95Å; T144-P147 HydrophobicContact CG2-CB 3.87Å | ||
| 145 | L | 87.7 | Confident | 92.2 | Very high | 50 Ų | 50 | 71.9 Ų | 71.9 | 26% | 0.262 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -88.5 | -6.3 | 170.7 | -57.5 | 179.5 | 0 | 0 | 0 | 112.4 | N99 L100 C102 N119 F121 | N99-L145 PolarHBondContact N-O 3.42Å; L100-L145 WeakPolarHBondContact CB-O 3.33Å; L100-L145 PolarHBondContact N-O 3.33Å; L100-L145 VanDerWaalsContact N-O 3.08Å; C102-L145 HydrophobicContact CB-CD1 4.07Å; C102-L145 HydrophobicContact CB-CD2 4.35Å; N119-L145 HydrophobicContact CB-CD2 4.09Å; F121-L145 HydrophobicContact CE2-CD2 3.94Å; F121-L145 HydrophobicContact CZ-CD2 4.12Å |
| 146 | N | 90.4 | Very high | 92.3 | Very high | 87 Ų | 87 | 76.8 Ų | 76.8 | 47% | 0.465 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -126.7 | 62.6 | -179.7 | -56.9 | -69.7 | 0 | 0 | 0 | 109.6 | V97 R98 N99 T144 K148 | V97-N146 CarbonylContact O-C 3.51Å; V97-N146 WeakPolarHBondContact O-CA 3.43Å; R98-N146 WeakPolarHBondContact CA-OD1 3.46Å; R98-N146 WeakPolarHBondContact CB-OD1 3.23Å; R98-N146 HydrophobicContact CG-CB 4.39Å; N99-N146 PolarHBondContact N-OD1 3.15Å; T144-N146 VanDerWaalsContact C-N 3.32Å; T144-N146 PolarHBondContact OG1-N 2.92Å; T144-N146 VanDerWaalsContact OG1-N 3.08Å; T144-N146 PolarHBondContact OG1-O 2.95Å; N146-K148 PolarHBondContact O-N 3.39Å |
| 147 | P | 92.2 | Very high | 92.1 | Very high | 1 Ų | 1 | 76.1 Ų | 76.1 | 1% | 0.006 | 35% | 0.354 | C | S | . | . | trans | -68.3 | 130.5 | -176.7 | 28 | -32.6 | 0 | 0 | 0 | 110.7 | V97 L100 F121 R141 T144 F149 | V97-P147 HydrophobicContact CB-CG 4.01Å; V97-P147 PolarHBondContact N-O 3.32Å; V97-P147 WeakPolarHBondContact O-CD 3.47Å; L100-P147 HydrophobicContact CD1-CG 3.75Å; F121-P147 HydrophobicContact CB-CG 4.46Å; R141-P147 HydrophobicContact CB-CB 3.55Å; R141-P147 HydrophobicContact CG-CB 3.86Å; T144-P147 HydrophobicContact CG2-CB 3.87Å; P147-F149 HydrophobicContact CB-CD2 4.46Å; P147-F149 HydrophobicContact CB-CE1 4.28Å; P147-F149 HydrophobicContact CB-CE2 3.75Å; P147-F149 HydrophobicContact CB-CZ 3.65Å; P147-F149 HydrophobicContact CG-CE2 3.6Å; P147-F149 HydrophobicContact CG-CZ 3.68Å | ||
| 148 | K | 93.9 | Very high | 91.8 | Very high | 116 Ų | 116 | 73.9 Ų | 73.9 | 50% | 0.504 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 119.3 | 163.9 | -171.7 | 177 | -179.8 | -171.9 | 0 | 108.3 | D95 K96 R141 N146 D150 | D95-K148 WeakPolarHBondContact OD1-CE 3.21Å; K96-K148 HydrophobicContact CB-CG 4.37Å; R141-K148 VanDerWaalsContact CZ-O 3.26Å; R141-K148 PolarHBondContact NE-O 3.04Å; R141-K148 PolarHBondContact NH2-O 3.08Å; N146-K148 PolarHBondContact O-N 3.39Å; K148-D150 VanDerWaalsContact CE-OD2 3.32Å; K148-D150 WeakPolarHBondContact CE-OD2 3.23Å; K148-D150 IonicContact NZ-OD2 3.88Å; K148-D150 PolarHBondContact NZ-OD2 3.05Å |
| 149 | F | 94.4 | Very high | 91.4 | Very high | 1 Ų | 1 | 76.3 Ų | 76.3 | 0% | 0.004 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | -55.7 | -178.8 | -66.1 | -76 | 0 | 0 | 0 | 110.4 | V94 D95 V97 L123 T138 K139 R141 P147 | V94-F149 HydrophobicContact CG1-CB 4.09Å; V94-F149 HydrophobicContact CG1-CD2 4.1Å; V94-F149 HydrophobicContact CG1-CG 4.32Å; D95-F149 PolarHBondContact O-N 2.84Å; V97-F149 HydrophobicContact CB-CE2 4.38Å; V97-F149 HydrophobicContact CG2-CD2 4.41Å; V97-F149 HydrophobicContact CG2-CE2 3.91Å; L123-F149 HydrophobicContact CD1-CD2 3.64Å; L123-F149 HydrophobicContact CD1-CE2 3.42Å; L123-F149 VanDerWaalsContact CD1-CE2 3.42Å; L123-F149 HydrophobicContact CD1-CG 4.43Å; L123-F149 HydrophobicContact CD1-CZ 4.07Å; L123-F149 HydrophobicContact CD2-CE2 4.24Å; L123-F149 HydrophobicContact CD2-CZ 4.33Å; L123-F149 HydrophobicContact CG-CD2 4.19Å; L123-F149 HydrophobicContact CG-CE1 4.4Å; L123-F149 HydrophobicContact CG-CE2 3.58Å; L123-F149 HydrophobicContact CG-CZ 3.71Å; T138-F149 HydrophobicContact CG2-CB 4.28Å; T138-F149 HydrophobicContact CG2-CD1 3.87Å; T138-F149 HydrophobicContact CG2-CE1 4.44Å; T138-F149 HydrophobicContact CG2-CG 4.06Å; T138-F149 VanDerWaalsContact OG1-CD1 3.3Å; T138-F149 WeakPolarHBondContact OG1-CD1 3.24Å; T138-F149 WeakPolarHBondContact OG1-CE1 3.47Å; K139-F149 WeakPolarHBondContact O-CE1 3.33Å; R141-F149 HydrophobicContact CB-CE1 4.21Å; R141-F149 HydrophobicContact CG-CD1 3.71Å; R141-F149 HydrophobicContact CG-CE1 3.54Å; R141-F149 HydrophobicContact CG-CZ 4.28Å; R141-F149 PolarHBondContact NH2-O 3.36Å; P147-F149 HydrophobicContact CB-CD2 4.46Å; P147-F149 HydrophobicContact CB-CE1 4.28Å; P147-F149 HydrophobicContact CB-CE2 3.75Å; P147-F149 HydrophobicContact CB-CZ 3.65Å; P147-F149 HydrophobicContact CG-CE2 3.6Å; P147-F149 HydrophobicContact CG-CZ 3.68Å |
| 150 | D | 94.3 | Very high | 91 | Very high | 105 Ų | 105 | 75.3 Ų | 75.3 | 56% | 0.561 | 37% | 0.369 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 56.4 | 49.3 | -178.6 | -144.1 | -10.6 | 0 | 0 | 0 | 111.2 | V94 D95 K148 | V94-D150 WeakPolarHBondContact O-CA 3.45Å; V94-D150 PolarHBondContact O-N 3.38Å; D95-D150 PolarHBondContact O-N 2.91Å; D95-D150 VanDerWaalsContact O-N 3.09Å; K148-D150 VanDerWaalsContact CE-OD2 3.32Å; K148-D150 WeakPolarHBondContact CE-OD2 3.23Å; K148-D150 IonicContact NZ-OD2 3.88Å; K148-D150 PolarHBondContact NZ-OD2 3.05Å |
| 151 | E | 96.6 | Very high | 90.5 | Very high | 30 Ų | 30 | 76.6 Ų | 76.6 | 14% | 0.14 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 142.6 | -175.1 | -69.6 | -179.4 | -123.7 | 0 | 0 | 111 | V94 T138 K139 F153 | V94-E151 PolarHBondContact N-O 2.93Å; V94-E151 PolarHBondContact O-N 2.81Å; T138-E151 WeakPolarHBondContact CA-OE2 3.17Å; K139-E151 WeakPolarHBondContact CB-OE1 3.5Å; K139-E151 PolarHBondContact N-OE1 2.78Å; K139-E151 PolarHBondContact N-OE2 2.77Å; K139-E151 VanDerWaalsContact N-OE2 3.17Å; E151-F153 HydrophobicContact CB-CE2 4.34Å; E151-F153 HydrophobicContact CB-CZ 4.09Å |
| 152 | V | 95.6 | Very high | 90.2 | Very high | 73 Ų | 73 | 72.7 Ų | 72.7 | 44% | 0.442 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 135.7 | 178 | 70.7 | 0 | 0 | 0 | 0 | 111 | I92 W93 | I92-V152 WeakPolarHBondContact O-CA 3.31Å; W93-V152 HydrophobicContact CD2-CG2 4.25Å; W93-V152 HydrophobicContact CG-CB 4.29Å; W93-V152 HydrophobicContact CG-CG2 4.01Å |
| 153 | F | 94.7 | Very high | 89.8 | Confident | 25 Ų | 25 | 69.1 Ų | 69.1 | 11% | 0.11 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 133.9 | 173.8 | -55.9 | -64 | 0 | 0 | 0 | 110.1 | S91 I92 V94 V125 A136 T138 E151 F155 | S91-F153 CarbonylContact C-O 3.51Å; S91-F153 WeakPolarHBondContact CA-O 3.49Å; I92-F153 PolarHBondContact N-O 2.71Å; I92-F153 PolarHBondContact O-N 3.23Å; V94-F153 HydrophobicContact CB-CE2 4.45Å; V94-F153 HydrophobicContact CG2-CD2 3.97Å; V94-F153 HydrophobicContact CG2-CE2 3.88Å; V125-F153 HydrophobicContact CB-CD2 4.36Å; V125-F153 HydrophobicContact CG2-CD2 3.81Å; V125-F153 HydrophobicContact CG2-CE2 3.97Å; A136-F153 HydrophobicContact CB-CB 3.77Å; A136-F153 HydrophobicContact CB-CD1 3.29Å; A136-F153 HydrophobicContact CB-CD2 4.2Å; A136-F153 HydrophobicContact CB-CE1 3.85Å; A136-F153 HydrophobicContact CB-CG 3.47Å; A136-F153 VanDerWaalsContact CB-CG 3.47Å; T138-F153 HydrophobicContact CG2-CE2 3.7Å; T138-F153 HydrophobicContact CG2-CZ 3.68Å; E151-F153 HydrophobicContact CB-CE2 4.34Å; E151-F153 HydrophobicContact CB-CZ 4.09Å; F153-F155 HydrophobicContact CB-CE2 3.99Å; F153-F155 HydrophobicContact CB-CZ 4.48Å |
| 154 | T | 93.9 | Very high | 89.7 | Confident | 77 Ų | 77 | 64.3 Ų | 64.3 | 47% | 0.472 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 127.4 | 178.2 | -54.3 | 0 | 0 | 0 | 0 | 109.7 | K89 L90 | K89-T154 HydrophobicContact CB-CG2 3.86Å; K89-T154 HydrophobicContact CD-CG2 3.94Å; K89-T154 HydrophobicContact CG-CG2 3.78Å; L90-T154 CarbonylContact O-C 3.5Å; L90-T154 WeakPolarHBondContact O-CA 3.29Å |
| 155 | F | 90.3 | Very high | 89.3 | Confident | 27 Ų | 27 | 64.7 Ų | 64.7 | 12% | 0.118 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 143 | 174.2 | -61.7 | -89.5 | 0 | 0 | 0 | 109.6 | K89 L90 I92 V125 L127 A136 F153 | K89-F155 WeakPolarHBondContact CA-O 3.41Å; L90-F155 HydrophobicContact CB-CB 4.45Å; L90-F155 PolarHBondContact N-O 3.4Å; L90-F155 PolarHBondContact O-N 2.86Å; I92-F155 HydrophobicContact CG1-CD2 4.22Å; I92-F155 HydrophobicContact CG1-CE2 4.17Å; V125-F155 HydrophobicContact CB-CE2 4.44Å; V125-F155 HydrophobicContact CB-CZ 4.15Å; V125-F155 HydrophobicContact CG1-CE2 3.75Å; V125-F155 HydrophobicContact CG1-CZ 3.83Å; L127-F155 HydrophobicContact CB-CD1 4.15Å; L127-F155 HydrophobicContact CB-CG 4.37Å; L127-F155 HydrophobicContact CD2-CB 3.87Å; L127-F155 HydrophobicContact CD2-CG 4.35Å; A136-F155 HydrophobicContact CB-CE1 4.49Å; A136-F155 HydrophobicContact CB-CZ 3.91Å; F153-F155 HydrophobicContact CB-CE2 3.99Å; F153-F155 HydrophobicContact CB-CZ 4.48Å |
| 156 | E | 90 | Very high | 89.1 | Confident | 176 Ų | 176 | 63.4 Ų | 63.4 | 82% | 0.822 | 33% | 0.33 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 123.6 | 169.7 | -65.6 | 179.6 | 172.9 | 0 | 0 | 108.8 | E88 | E88-E156 CarbonylContact O-C 3.38Å; E88-E156 WeakPolarHBondContact O-CA 3.19Å |
| 157 | L | 87 | Confident | 89 | Confident | 6 Ų | 6 | 59.3 Ų | 59.3 | 3% | 0.031 | 31% | 0.308 | C | S | . | . | trans | -147.5 | 114.6 | -178.1 | 175.2 | 57.4 | 0 | 0 | 0 | 110.3 | F83 E88 L90 L127 H161 F162 R165 L190 | F83-L157 HydrophobicContact CE2-CB 4.15Å; F83-L157 HydrophobicContact CE2-CD2 4.25Å; F83-L157 HydrophobicContact CE2-CG 4.11Å; F83-L157 VanDerWaalsContact CE2-O 3.3Å; F83-L157 WeakPolarHBondContact CE2-O 3.37Å; E88-L157 CarbonylContact C-O 3.52Å; E88-L157 WeakPolarHBondContact CA-O 3.32Å; E88-L157 PolarHBondContact O-N 2.79Å; L90-L157 HydrophobicContact CB-CB 4.27Å; L90-L157 HydrophobicContact CB-CD2 4.3Å; L90-L157 HydrophobicContact CD2-CD2 4.04Å; L127-L157 HydrophobicContact CD2-CB 4.31Å; L127-L157 HydrophobicContact CD2-CD2 4.37Å; L157-H161 HydrophobicContact CD1-CB 4.04Å; L157-F162 HydrophobicContact CD2-CD2 3.64Å; L157-F162 HydrophobicContact CD2-CE2 4.22Å; L157-F162 HydrophobicContact CD2-CG 4.47Å; L157-F162 HydrophobicContact CG-CD2 4.45Å; L157-R165 HydrophobicContact CD1-CG 3.68Å; L157-R165 HydrophobicContact CD2-CG 4.46Å; L157-L190 HydrophobicContact CD2-CD1 3.49Å; L157-L190 VanDerWaalsContact CD2-CD1 3.49Å | ||
| 158 | S | 87.3 | Confident | 88.7 | Confident | 34 Ų | 34 | 60.8 Ų | 60.8 | 24% | 0.238 | 32% | 0.315 | C | S | . | . | trans | -69 | 139.1 | 172.7 | -170.9 | 0 | 0 | 0 | 0 | 111.1 | E88 V160 H161 F162 | E88-S158 WeakPolarHBondContact OE1-CA 3.46Å; E88-S158 VanDerWaalsContact OE1-CB 3.24Å; E88-S158 WeakPolarHBondContact OE1-CB 3.21Å; E88-S158 PolarHBondContact OE1-OG 2.87Å; S158-V160 PolarHBondContact O-N 3.2Å; S158-V160 VanDerWaalsContact O-N 3.11Å; S158-H161 PolarHBondContact O-N 2.92Å; S158-F162 PolarHBondContact O-N 3.46Å | ||
| 159 | P | 87.3 | Confident | 88.7 | Confident | 55 Ų | 55 | 55.3 Ų | 55.3 | 36% | 0.357 | 29% | 0.291 | S | S | . | . | G | 310 helix | trans | -54.5 | -30.8 | 178.6 | -26.1 | 33 | 0 | 0 | 0 | 114 | F83 A85 E88 H161 F162 | F83-P159 HydrophobicContact CE1-CB 4.26Å; F83-P159 HydrophobicContact CE1-CG 4.21Å; F83-P159 HydrophobicContact CZ-CB 4.26Å; F83-P159 HydrophobicContact CZ-CG 3.96Å; A85-P159 HydrophobicContact CB-CG 3.91Å; E88-P159 WeakPolarHBondContact OE1-CD 3.03Å; P159-H161 PolarHBondContact O-N 3.1Å; P159-F162 VanDerWaalsContact O-CB 3.31Å; P159-F162 WeakPolarHBondContact O-CB 3.48Å; P159-F162 PolarHBondContact O-N 3.23Å |
| 160 | V | 87.8 | Confident | 88.5 | Confident | 124 Ų | 124 | 55.3 Ų | 55.3 | 75% | 0.752 | 29% | 0.291 | S | S | * | . | G | 310 helix | trans | -62.9 | -33 | 179.4 | -177.6 | 0 | 0 | 0 | 0 | 111.9 | S158 | S158-V160 PolarHBondContact O-N 3.2Å; S158-V160 VanDerWaalsContact O-N 3.11Å |
| 161 | H | 83.8 | Confident | 88.4 | Confident | 77 Ų | 77 | 50.3 Ų | 50.3 | 36% | 0.356 | 26% | 0.264 | S | S | . | . | G | 310 helix | trans | -95.1 | 2.8 | -179.7 | -63.6 | -65.9 | 0 | 0 | 0 | 112.5 | L157 S158 P159 D163 E164 R165 | L157-H161 HydrophobicContact CD1-CB 4.04Å; S158-H161 PolarHBondContact O-N 2.92Å; P159-H161 PolarHBondContact O-N 3.1Å; H161-D163 PolarHBondContact O-N 2.77Å; H161-E164 HydrophobicContact CB-CG 4.13Å; H161-E164 WeakPolarHBondContact CB-OE1 3.14Å; H161-E164 IonicContact CE1-OE1 2.76Å; H161-E164 IonicContact CG-OE1 3.81Å; H161-E164 IonicContact ND1-OE1 3.17Å; H161-E164 PolarHBondContact ND1-OE1 3.1Å; H161-E164 IonicContact ND1-OE2 3.74Å; H161-E164 WeakPolarHBondContact O-CG 3.25Å; H161-E164 PolarHBondContact O-N 3.11Å; H161-R165 WeakPolarHBondContact O-CG 3.49Å |
| 162 | F | 85.4 | Confident | 88.1 | Confident | 13 Ų | 13 | 49.6 Ų | 49.6 | 6% | 0.057 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -59.9 | -50.3 | -171 | -172.6 | -90.6 | 0 | 0 | 0 | 112.5 | F83 L90 L157 S158 P159 E164 R165 L190 Y193 | F83-F162 HydrophobicContact CB-CE2 3.76Å; F83-F162 HydrophobicContact CB-CZ 4.4Å; F83-F162 AromaticContact CD1-CD2 3.68Å; F83-F162 HydrophobicContact CD1-CD2 3.68Å; F83-F162 AromaticContact CD1-CE2 3.69Å; F83-F162 HydrophobicContact CD1-CE2 3.69Å; F83-F162 AromaticContact CD2-CD2 3.88Å; F83-F162 HydrophobicContact CD2-CD2 3.88Å; F83-F162 AromaticContact CD2-CE2 3.8Å; F83-F162 HydrophobicContact CD2-CE2 3.8Å; F83-F162 AromaticContact CE1-CD2 3.73Å; F83-F162 HydrophobicContact CE1-CD2 3.73Å; F83-F162 HydrophobicContact CE1-CE2 4.23Å; F83-F162 HydrophobicContact CE1-CG 4.39Å; F83-F162 AromaticContact CE2-CD2 3.94Å; F83-F162 HydrophobicContact CE2-CD2 3.94Å; F83-F162 HydrophobicContact CE2-CE2 4.34Å; F83-F162 AromaticContact CG-CD2 3.76Å; F83-F162 HydrophobicContact CG-CD2 3.76Å; F83-F162 AromaticContact CG-CE2 3.45Å; F83-F162 HydrophobicContact CG-CE2 3.45Å; F83-F162 VanDerWaalsContact CG-CE2 3.45Å; F83-F162 HydrophobicContact CG-CZ 4.42Å; F83-F162 AromaticContact CZ-CD2 3.87Å; F83-F162 HydrophobicContact CZ-CD2 3.87Å; L90-F162 HydrophobicContact CD1-CE2 4.15Å; L157-F162 HydrophobicContact CD2-CD2 3.64Å; L157-F162 HydrophobicContact CD2-CE2 4.22Å; L157-F162 HydrophobicContact CD2-CG 4.47Å; L157-F162 HydrophobicContact CG-CD2 4.45Å; S158-F162 PolarHBondContact O-N 3.46Å; P159-F162 VanDerWaalsContact O-CB 3.31Å; P159-F162 WeakPolarHBondContact O-CB 3.48Å; P159-F162 PolarHBondContact O-N 3.23Å; F162-E164 VanDerWaalsContact C-N 3.3Å; F162-E164 PolarHBondContact O-N 2.7Å; F162-R165 PolarHBondContact O-N 2.77Å; F162-L190 HydrophobicContact CD1-CB 4.23Å; F162-L190 HydrophobicContact CD2-CD1 4.15Å; F162-L190 HydrophobicContact CE1-CB 3.9Å; F162-L190 WeakPolarHBondContact CE1-O 3.4Å; F162-L190 HydrophobicContact CE2-CB 4.44Å; F162-L190 HydrophobicContact CE2-CD1 3.93Å; F162-L190 HydrophobicContact CZ-CB 4Å; F162-L190 HydrophobicContact CZ-CD1 4.27Å; F162-L190 VanDerWaalsContact O-CB 3.32Å; F162-L190 WeakPolarHBondContact O-CB 3.37Å; F162-Y193 AromaticContact CE1-CD1 3.86Å; F162-Y193 HydrophobicContact CE1-CD1 3.86Å; F162-Y193 HydrophobicContact CE1-CG 4.29Å; F162-Y193 HydrophobicContact CE2-CD1 4.45Å; F162-Y193 AromaticContact CZ-CD1 3.4Å; F162-Y193 HydrophobicContact CZ-CD1 3.4Å; F162-Y193 VanDerWaalsContact CZ-CD1 3.4Å; F162-Y193 HydrophobicContact CZ-CE1 4.15Å; F162-Y193 AromaticContact CZ-CG 3.83Å; F162-Y193 HydrophobicContact CZ-CG 3.83Å |
| 163 | D | 81.7 | Confident | 87.8 | Confident | 113 Ų | 113 | 47.8 Ų | 47.8 | 60% | 0.604 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -20.1 | -173.8 | -67.8 | -29.8 | 0 | 0 | 0 | 114.4 | H161 N191 | H161-D163 PolarHBondContact O-N 2.77Å; D163-N191 HydrophobicContact CB-CB 4.24Å |
| 164 | E | 81.1 | Confident | 87.3 | Confident | 118 Ų | 118 | 48.2 Ų | 48.2 | 55% | 0.551 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | -5.5 | 177.5 | 60.4 | 168.8 | -148.8 | 0 | 0 | 113.3 | H161 F162 | H161-E164 HydrophobicContact CB-CG 4.13Å; H161-E164 WeakPolarHBondContact CB-OE1 3.14Å; H161-E164 IonicContact CE1-OE1 2.76Å; H161-E164 IonicContact CG-OE1 3.81Å; H161-E164 IonicContact ND1-OE1 3.17Å; H161-E164 PolarHBondContact ND1-OE1 3.1Å; H161-E164 IonicContact ND1-OE2 3.74Å; H161-E164 WeakPolarHBondContact O-CG 3.25Å; H161-E164 PolarHBondContact O-N 3.11Å; F162-E164 VanDerWaalsContact C-N 3.3Å; F162-E164 PolarHBondContact O-N 2.7Å |
| 165 | R | 80.5 | Confident | 86.4 | Confident | 51 Ų | 51 | 44.9 Ų | 44.9 | 19% | 0.192 | 23% | 0.228 | C | C | . | . | trans | -93.1 | 154.4 | -174.9 | -63.9 | -87.1 | -178.6 | -119.4 | -7.1 | 111.3 | L127 S128 L157 H161 F162 L190 | L127-R165 HydrophobicContact CD1-CB 4.01Å; S128-R165 WeakPolarHBondContact O-CD 3.38Å; S128-R165 PolarHBondContact O-NE 3.07Å; S128-R165 PolarHBondContact O-NH1 3.41Å; L157-R165 HydrophobicContact CD1-CG 3.68Å; L157-R165 HydrophobicContact CD2-CG 4.46Å; H161-R165 WeakPolarHBondContact O-CG 3.49Å; F162-R165 PolarHBondContact O-N 2.77Å; R165-L190 HydrophobicContact CB-CB 4.49Å; R165-L190 HydrophobicContact CB-CD1 3.75Å; R165-L190 HydrophobicContact CB-CG 4.11Å; R165-L190 PolarHBondContact O-N 2.83Å | ||
| 166 | C | 82.8 | Confident | 85.5 | Confident | 22 Ų | 22 | 44.9 Ų | 44.9 | 15% | 0.149 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 132.5 | 176.3 | -177.5 | 0 | 0 | 0 | 0 | 108.6 | S128 F130 | S128-C166 PolarHBondContact N-O 2.92Å; F130-C166 VanDerWaalsContact CE1-O 3.25Å; F130-C166 WeakPolarHBondContact CE1-O 3.11Å; F130-C166 HydrophobicContact CZ-CB 3.98Å; F130-C166 WeakPolarHBondContact CZ-O 3.41Å |
| 167 | L | 88.9 | Confident | 84.7 | Confident | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 126.1 | 173.4 | -173.5 | 75.7 | 0 | 0 | 0 | 108.6 | F79 I92 V125 Y126 I169 L187 Y188 L190 | F79-L167 HydrophobicContact CD2-CD2 4.1Å; F79-L167 HydrophobicContact CE2-CD2 3.65Å; F79-L167 HydrophobicContact CZ-CD2 4.43Å; I92-L167 HydrophobicContact CD1-CD1 3.97Å; I92-L167 HydrophobicContact CD1-CD2 3.82Å; I92-L167 HydrophobicContact CG1-CD1 3.89Å; I92-L167 HydrophobicContact CG1-CD2 4.32Å; I92-L167 HydrophobicContact CG2-CD2 4.15Å; V125-L167 HydrophobicContact CG1-CD1 3.58Å; V125-L167 HydrophobicContact CG1-CG 4.36Å; Y126-L167 WeakPolarHBondContact O-CA 3.24Å; L167-I169 HydrophobicContact CD2-CD1 4.01Å; L167-I169 HydrophobicContact CD2-CG1 4.21Å; L167-I169 HydrophobicContact CG-CG1 4.24Å; L167-L187 CarbonylContact O-C 3.55Å; L167-L187 WeakPolarHBondContact O-CA 3.37Å; L167-Y188 PolarHBondContact N-O 2.85Å; L167-Y188 PolarHBondContact O-N 2.98Å; L167-L190 HydrophobicContact CB-CD2 4.37Å |
| 168 | K | 86.4 | Confident | 84.3 | Confident | 32 Ų | 32 | 50.7 Ų | 50.7 | 14% | 0.139 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 123.6 | 170.7 | -178.3 | -179.7 | -172.5 | -175.5 | 0 | 108.7 | Y126 F130 V170 V186 L187 D210 | Y126-K168 PolarHBondContact N-O 2.74Å; Y126-K168 PolarHBondContact O-N 3.2Å; F130-K168 HydrophobicContact CD1-CB 4.02Å; F130-K168 HydrophobicContact CE1-CB 3.41Å; F130-K168 VanDerWaalsContact CE1-CB 3.41Å; F130-K168 HydrophobicContact CZ-CB 3.75Å; K168-V170 HydrophobicContact CD-CG2 3.99Å; K168-V170 HydrophobicContact CG-CG2 3.85Å; K168-V186 CarbonylContact C-O 3.58Å; K168-V186 VanDerWaalsContact CA-O 3.31Å; K168-V186 WeakPolarHBondContact CA-O 3.44Å; K168-L187 HydrophobicContact CB-CD2 3.65Å; K168-L187 HydrophobicContact CD-CD2 4.12Å; K168-L187 HydrophobicContact CG-CD2 3.67Å; K168-D210 IonicContact NZ-OD2 3.38Å; K168-D210 PolarHBondContact NZ-OD2 3.3Å |
| 169 | I | 92.7 | Very high | 83.6 | Confident | 1 Ų | 1 | 55.9 Ų | 55.9 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 120.8 | 172.2 | -53.5 | 174.1 | 0 | 0 | 0 | 108.1 | I77 F79 L123 R124 V125 L167 H185 V186 | I77-I169 HydrophobicContact CD1-CB 4.34Å; I77-I169 HydrophobicContact CD1-CD1 3.88Å; I77-I169 HydrophobicContact CD1-CG2 3.62Å; F79-I169 HydrophobicContact CB-CD1 4.45Å; F79-I169 HydrophobicContact CD1-CD1 3.98Å; F79-I169 HydrophobicContact CD2-CD1 4.1Å; F79-I169 HydrophobicContact CE1-CD1 4.22Å; F79-I169 HydrophobicContact CE2-CD1 4.29Å; F79-I169 HydrophobicContact CG-CD1 3.92Å; F79-I169 HydrophobicContact CZ-CD1 4.37Å; L123-I169 HydrophobicContact CB-CG2 4.22Å; L123-I169 HydrophobicContact CD1-CG2 4.3Å; R124-I169 CarbonylContact O-C 3.58Å; R124-I169 WeakPolarHBondContact O-CA 3.47Å; V125-I169 HydrophobicContact CG1-CG1 4.29Å; V125-I169 HydrophobicContact CG2-CG1 4.32Å; V125-I169 HydrophobicContact CG2-CG2 4.36Å; L167-I169 HydrophobicContact CD2-CD1 4.01Å; L167-I169 HydrophobicContact CD2-CG1 4.21Å; L167-I169 HydrophobicContact CG-CG1 4.24Å; I169-H185 CarbonylContact O-C 3.54Å; I169-H185 WeakPolarHBondContact O-CA 3.49Å; I169-V186 PolarHBondContact N-O 2.77Å; I169-V186 PolarHBondContact O-N 2.89Å |
| 170 | V | 90.5 | Very high | 83.4 | Confident | 1 Ų | 1 | 56.9 Ų | 56.9 | 1% | 0.006 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 127.2 | -179.1 | -170.9 | 0 | 0 | 0 | 0 | 109.4 | L123 R124 Y126 K168 Y172 P182 H185 | L123-V170 CarbonylContact C-O 3.51Å; L123-V170 VanDerWaalsContact CA-O 3.28Å; L123-V170 WeakPolarHBondContact CA-O 3.36Å; R124-V170 PolarHBondContact N-O 2.89Å; R124-V170 PolarHBondContact O-N 2.78Å; Y126-V170 HydrophobicContact CD2-CG2 4.25Å; Y126-V170 HydrophobicContact CE2-CB 4.4Å; Y126-V170 HydrophobicContact CE2-CG2 3.85Å; K168-V170 HydrophobicContact CD-CG2 3.99Å; K168-V170 HydrophobicContact CG-CG2 3.85Å; V170-Y172 HydrophobicContact CB-CD2 4.34Å; V170-Y172 HydrophobicContact CB-CE2 3.71Å; V170-Y172 HydrophobicContact CG1-CD2 4.08Å; V170-Y172 HydrophobicContact CG1-CE1 4.28Å; V170-Y172 HydrophobicContact CG1-CE2 3.52Å; V170-P182 HydrophobicContact CG1-CB 4.47Å; V170-H185 HydrophobicContact CG2-CB 3.98Å |
| 171 | A | 93.1 | Very high | 83.1 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 128.3 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | L100 L123 V183 G184 F207 | L100-A171 HydrophobicContact CD2-CB 4.36Å; L123-A171 VanDerWaalsContact CD2-CA 3.48Å; L123-A171 HydrophobicContact CD2-CB 3.52Å; A171-V183 HydrophobicContact CB-CB 4.16Å; A171-V183 WeakPolarHBondContact O-CB 3.31Å; A171-V183 PolarHBondContact O-N 3.38Å; A171-G184 PolarHBondContact N-O 2.85Å; A171-F207 HydrophobicContact CB-CD1 4.25Å; A171-F207 HydrophobicContact CB-CE1 3.73Å; A171-F207 HydrophobicContact CB-CE2 4.32Å; A171-F207 HydrophobicContact CB-CZ 3.77Å |
| 172 | Y | 90.4 | Very high | 83.2 | Confident | 15 Ų | 15 | 50.9 Ų | 50.9 | 6% | 0.059 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 143 | 175.4 | -71.9 | -81.7 | 0 | 0 | 0 | 110.6 | F121 F122 R124 V170 I180 V181 P182 | F121-Y172 WeakPolarHBondContact CA-O 3.49Å; F122-Y172 HydrophobicContact CD2-CD2 4.33Å; F122-Y172 AromaticContact CE2-CD2 3.7Å; F122-Y172 HydrophobicContact CE2-CD2 3.7Å; F122-Y172 AromaticContact CE2-CG 3.91Å; F122-Y172 HydrophobicContact CE2-CG 3.91Å; F122-Y172 VanDerWaalsContact CZ-CB 3.44Å; F122-Y172 HydrophobicContact CZ-CD2 4.13Å; F122-Y172 AromaticContact CZ-CG 3.84Å; F122-Y172 HydrophobicContact CZ-CG 3.84Å; F122-Y172 PolarHBondContact N-O 3Å; F122-Y172 VanDerWaalsContact N-O 3.08Å; F122-Y172 PolarHBondContact O-N 2.9Å; R124-Y172 HydrophobicContact CB-CD2 4.43Å; R124-Y172 HydrophobicContact CB-CE2 4Å; R124-Y172 HydrophobicContact CG-CD2 4.1Å; R124-Y172 HydrophobicContact CG-CE2 3.88Å; V170-Y172 HydrophobicContact CB-CD2 4.34Å; V170-Y172 HydrophobicContact CB-CE2 3.71Å; V170-Y172 HydrophobicContact CG1-CD2 4.08Å; V170-Y172 HydrophobicContact CG1-CE1 4.28Å; V170-Y172 HydrophobicContact CG1-CE2 3.52Å; Y172-I180 HydrophobicContact CD1-CG2 3.28Å; Y172-I180 HydrophobicContact CE1-CG2 3.94Å; Y172-I180 HydrophobicContact CG-CG2 3.76Å; Y172-V181 CarbonylContact C-O 3.25Å; Y172-V181 WeakPolarHBondContact CA-O 3.44Å; Y172-P182 HydrophobicContact CD1-CB 4.16Å; Y172-P182 HydrophobicContact CE1-CB 3.89Å |
| 173 | R | 87.7 | Confident | 83.2 | Confident | 35 Ų | 35 | 51.2 Ų | 51.2 | 13% | 0.132 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 139.8 | 169 | -176.7 | 173.8 | 63 | -153.6 | -3.3 | 109.6 | D120 F121 V181 V183 | D120-R173 CarbonylContact O-C 3.56Å; D120-R173 WeakPolarHBondContact O-CA 3.46Å; F121-R173 HydrophobicContact CD1-CB 3.84Å; F121-R173 HydrophobicContact CD1-CG 4.26Å; F121-R173 HydrophobicContact CE1-CB 3.66Å; F121-R173 HydrophobicContact CE1-CG 3.85Å; F121-R173 HydrophobicContact CZ-CG 4.22Å; R173-V181 PolarHBondContact N-O 2.8Å; R173-V181 PolarHBondContact O-N 2.88Å; R173-V183 HydrophobicContact CB-CG2 3.76Å |
| 174 | I | 84.1 | Confident | 83.4 | Confident | 35 Ų | 35 | 45.8 Ų | 45.8 | 18% | 0.179 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 113.3 | 167.1 | -55.5 | 180 | 0 | 0 | 0 | 107.5 | S118 D120 F122 T140 K178 R179 | S118-I174 VanDerWaalsContact O-O 3.1Å; D120-I174 HydrophobicContact CB-CB 4.17Å; D120-I174 PolarHBondContact O-N 3.4Å; F122-I174 HydrophobicContact CD1-CD1 4.23Å; F122-I174 HydrophobicContact CD1-CG1 4.14Å; F122-I174 HydrophobicContact CE1-CD1 4.2Å; F122-I174 HydrophobicContact CE1-CG1 3.88Å; T140-I174 HydrophobicContact CG2-CD1 3.79Å; I174-K178 HydrophobicContact CG2-CB 4.43Å; I174-R179 WeakPolarHBondContact CA-O 3.39Å |
| 175 | D | 76 | Confident | 83.8 | Confident | 6 Ų | 6 | 41 Ų | 41 | 3% | 0.032 | 19% | 0.193 | C | C | . | . | trans | -76.1 | 174.1 | -179.9 | 79 | 0.8 | 0 | 0 | 0 | 112.8 | F177 K178 R179 V181 | D175-F177 PolarHBondContact O-N 3.38Å; D175-F177 VanDerWaalsContact OD1-C 3.29Å; D175-F177 VanDerWaalsContact OD1-CA 3.3Å; D175-F177 WeakPolarHBondContact OD1-CA 3.3Å; D175-F177 WeakPolarHBondContact OD1-CB 3.39Å; D175-F177 PolarHBondContact OD1-N 2.81Å; D175-K178 WeakPolarHBondContact O-CA 3.2Å; D175-K178 PolarHBondContact O-N 3.45Å; D175-K178 PolarHBondContact OD1-N 2.99Å; D175-K178 VanDerWaalsContact OD1-N 3.13Å; D175-R179 PolarHBondContact N-O 2.9Å; D175-R179 WeakPolarHBondContact OD1-CB 3.07Å; D175-R179 PolarHBondContact OD1-N 3.5Å; D175-R179 IonicContact OD1-NE 3.75Å; D175-R179 IonicContact OD2-CZ 3.23Å; D175-R179 IonicContact OD2-NE 2.71Å; D175-R179 PolarHBondContact OD2-NE 2.85Å; D175-R179 IonicContact OD2-NH2 3.41Å; D175-R179 PolarHBondContact OD2-NH2 2.83Å; D175-V181 HydrophobicContact CB-CG2 4.47Å | ||
| 176 | A | 72 | Confident | 84.2 | Confident | 27 Ų | 27 | 38.8 Ų | 38.8 | 22% | 0.223 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | -24.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | R116 D117 K178 | R116-A176 HydrophobicContact CB-CB 3.99Å; D117-A176 PolarHBondContact OD1-N 2.8Å; A176-K178 VanDerWaalsContact C-N 3.35Å |
| 177 | F | 73.3 | Confident | 84.4 | Confident | 123 Ų | 123 | 41.3 Ų | 41.3 | 54% | 0.539 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | 11.7 | 177.6 | -59.1 | -77.1 | 0 | 0 | 0 | 112.8 | D175 R179 | D175-F177 PolarHBondContact O-N 3.38Å; D175-F177 VanDerWaalsContact OD1-C 3.29Å; D175-F177 VanDerWaalsContact OD1-CA 3.3Å; D175-F177 WeakPolarHBondContact OD1-CA 3.3Å; D175-F177 WeakPolarHBondContact OD1-CB 3.39Å; D175-F177 PolarHBondContact OD1-N 2.81Å; F177-R179 HydrophobicContact CB-CG 4.13Å; F177-R179 PolarHBondContact O-N 2.84Å |
| 178 | K | 77.3 | Confident | 84.2 | Confident | 182 Ų | 182 | 41.7 Ų | 41.7 | 79% | 0.791 | 20% | 0.198 | S | C | * | . | S | Bend | trans | 60.9 | 22.8 | -174.9 | -56.8 | -173.9 | 177 | -178.9 | 0 | 114.3 | I174 D175 A176 | I174-K178 HydrophobicContact CG2-CB 4.43Å; D175-K178 WeakPolarHBondContact O-CA 3.2Å; D175-K178 PolarHBondContact O-N 3.45Å; D175-K178 PolarHBondContact OD1-N 2.99Å; D175-K178 VanDerWaalsContact OD1-N 3.13Å; A176-K178 VanDerWaalsContact C-N 3.35Å |
| 179 | R | 73.8 | Confident | 84.2 | Confident | 142 Ų | 142 | 42 Ų | 42 | 54% | 0.536 | 20% | 0.204 | S | C | . | . | trans | -84.8 | 142.1 | 174.6 | -56.4 | 177.8 | -62.4 | 179.6 | 3.3 | 109.6 | I174 D175 F177 | I174-R179 WeakPolarHBondContact CA-O 3.39Å; D175-R179 PolarHBondContact N-O 2.9Å; D175-R179 WeakPolarHBondContact OD1-CB 3.07Å; D175-R179 PolarHBondContact OD1-N 3.5Å; D175-R179 IonicContact OD1-NE 3.75Å; D175-R179 IonicContact OD2-CZ 3.23Å; D175-R179 IonicContact OD2-NE 2.71Å; D175-R179 PolarHBondContact OD2-NE 2.85Å; D175-R179 IonicContact OD2-NH2 3.41Å; D175-R179 PolarHBondContact OD2-NH2 2.83Å; F177-R179 HydrophobicContact CB-CG 4.13Å; F177-R179 PolarHBondContact O-N 2.84Å | ||
| 180 | I | 81.5 | Confident | 83.9 | Confident | 76 Ų | 76 | 42 Ų | 42 | 39% | 0.39 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 114.2 | 178.3 | -65.8 | 170.4 | 0 | 0 | 0 | 107.9 | F122 Y172 | F122-I180 HydrophobicContact CE1-CD1 4.4Å; F122-I180 HydrophobicContact CE1-CG1 4.16Å; F122-I180 HydrophobicContact CE1-CG2 4.15Å; F122-I180 HydrophobicContact CZ-CD1 4Å; F122-I180 HydrophobicContact CZ-CG1 4.1Å; F122-I180 HydrophobicContact CZ-CG2 3.63Å; Y172-I180 HydrophobicContact CD1-CG2 3.28Å; Y172-I180 HydrophobicContact CE1-CG2 3.94Å; Y172-I180 HydrophobicContact CG-CG2 3.76Å |
| 181 | V | 82.2 | Confident | 83.5 | Confident | 43 Ų | 43 | 46.6 Ų | 46.6 | 26% | 0.261 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 124.9 | -177 | -176.6 | 0 | 0 | 0 | 0 | 109.3 | Y172 R173 D175 | Y172-V181 CarbonylContact C-O 3.25Å; Y172-V181 WeakPolarHBondContact CA-O 3.44Å; R173-V181 PolarHBondContact N-O 2.8Å; R173-V181 PolarHBondContact O-N 2.88Å; D175-V181 HydrophobicContact CB-CG2 4.47Å |
| 182 | P | 85.2 | Confident | 82.8 | Confident | 32 Ų | 32 | 50.8 Ų | 50.8 | 21% | 0.208 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 136.6 | 174.3 | 28.1 | -33.2 | 0 | 0 | 0 | 110.2 | V170 Y172 | V170-P182 HydrophobicContact CG1-CB 4.47Å; Y172-P182 HydrophobicContact CD1-CB 4.16Å; Y172-P182 HydrophobicContact CE1-CB 3.89Å |
| 183 | V | 86.3 | Confident | 82.3 | Confident | 20 Ų | 20 | 50.6 Ų | 50.6 | 12% | 0.121 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | -45 | 178.3 | -178.7 | 0 | 0 | 0 | 0 | 109.8 | I74 L100 P101 F121 A171 R173 | I74-V183 HydrophobicContact CG2-CG1 3.9Å; I74-V183 WeakPolarHBondContact CG2-O 3.2Å; L100-V183 HydrophobicContact CD2-CG1 4.2Å; P101-V183 HydrophobicContact CG-CG1 3.55Å; F121-V183 HydrophobicContact CD1-CG2 4.08Å; F121-V183 HydrophobicContact CE1-CG2 3.84Å; A171-V183 HydrophobicContact CB-CB 4.16Å; A171-V183 WeakPolarHBondContact O-CB 3.31Å; A171-V183 PolarHBondContact O-N 3.38Å; R173-V183 HydrophobicContact CB-CG2 3.76Å |
| 184 | G | 86.4 | Confident | 81.3 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 177 | 172.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | A171 Q208 | A171-G184 PolarHBondContact N-O 2.85Å; G184-Q208 CarbonylContact C-O 3.53Å; G184-Q208 WeakPolarHBondContact CA-O 3.06Å |
| 185 | H | 88.6 | Confident | 80.2 | Confident | 17 Ų | 17 | 56.1 Ų | 56.1 | 8% | 0.079 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 160 | 179.7 | 71.3 | -85.8 | 0 | 0 | 0 | 111.9 | I169 V170 Q208 D210 | I169-H185 CarbonylContact O-C 3.54Å; I169-H185 WeakPolarHBondContact O-CA 3.49Å; V170-H185 HydrophobicContact CG2-CB 3.98Å; H185-Q208 PolarHBondContact N-O 3.19Å; H185-Q208 PolarHBondContact O-N 3.13Å; H185-D210 IonicContact CE1-OD1 3.84Å; H185-D210 IonicContact CG-OD2 2.7Å; H185-D210 VanDerWaalsContact ND1-CA 3.33Å; H185-D210 WeakPolarHBondContact ND1-CA 3.42Å; H185-D210 VanDerWaalsContact ND1-CB 3.32Å; H185-D210 WeakPolarHBondContact ND1-CB 3.22Å; H185-D210 VanDerWaalsContact ND1-CG 3.33Å; H185-D210 PolarHBondContact ND1-N 2.86Å; H185-D210 IonicContact ND1-OD1 3.96Å; H185-D210 IonicContact ND1-OD2 3.96Å; H185-D210 PolarHBondContact ND1-OD2 2.79Å |
| 186 | V | 88.9 | Confident | 79.1 | Confident | 4 Ų | 4 | 64.6 Ų | 64.6 | 2% | 0.024 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 135.4 | 169 | 168.2 | 0 | 0 | 0 | 0 | 107.7 | I77 K168 I169 R205 F207 | I77-V186 HydrophobicContact CG2-CB 4.43Å; I77-V186 HydrophobicContact CG2-CG2 3.77Å; K168-V186 CarbonylContact C-O 3.58Å; K168-V186 VanDerWaalsContact CA-O 3.31Å; K168-V186 WeakPolarHBondContact CA-O 3.44Å; I169-V186 PolarHBondContact N-O 2.77Å; I169-V186 PolarHBondContact O-N 2.89Å; V186-R205 HydrophobicContact CB-CB 4.32Å; V186-R205 HydrophobicContact CG1-CB 3.46Å; V186-R205 VanDerWaalsContact CG1-CB 3.46Å; V186-R205 HydrophobicContact CG1-CG 3.68Å; V186-R205 HydrophobicContact CG2-CB 3.83Å; V186-F207 HydrophobicContact CG2-CD1 3.81Å; V186-F207 HydrophobicContact CG2-CE1 4.1Å; V186-F207 HydrophobicContact CG2-CG 4.23Å |
| 187 | L | 86.3 | Confident | 78.2 | Confident | 76 Ų | 76 | 73 Ų | 73 | 40% | 0.398 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 134.6 | 167.3 | -62.4 | 177 | 0 | 0 | 0 | 108.8 | F130 L167 K168 | F130-L187 HydrophobicContact CE2-CD2 4.5Å; F130-L187 HydrophobicContact CZ-CD2 4.2Å; L167-L187 CarbonylContact O-C 3.55Å; L167-L187 WeakPolarHBondContact O-CA 3.37Å; K168-L187 HydrophobicContact CB-CD2 3.65Å; K168-L187 HydrophobicContact CD-CD2 4.12Å; K168-L187 HydrophobicContact CG-CD2 3.67Å |
| 188 | Y | 86.4 | Confident | 77.5 | Confident | 8 Ų | 8 | 74.8 Ų | 74.8 | 3% | 0.031 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 99 | 173.4 | -175.1 | -90 | 0 | 0 | 0 | 109.2 | F79 I81 L167 L190 E192 Y193 L201 V203 | F79-Y188 HydrophobicContact CE2-CG 4.44Å; F79-Y188 HydrophobicContact CZ-CD2 4.26Å; F79-Y188 HydrophobicContact CZ-CG 4.16Å; I81-Y188 HydrophobicContact CD1-CD1 3.41Å; I81-Y188 VanDerWaalsContact CD1-CD1 3.41Å; I81-Y188 HydrophobicContact CD1-CE1 3.22Å; I81-Y188 HydrophobicContact CD1-CG 4.25Å; L167-Y188 PolarHBondContact N-O 2.85Å; L167-Y188 PolarHBondContact O-N 2.98Å; Y188-L190 HydrophobicContact CD1-CD2 4.09Å; Y188-L190 HydrophobicContact CE1-CD2 4.36Å; Y188-L190 PolarHBondContact O-N 2.87Å; Y188-E192 HydrophobicContact CE2-CB 4.31Å; Y188-Y193 PolarHBondContact OH-N 3.25Å; Y188-L201 VanDerWaalsContact OH-CD2 3.23Å; Y188-L201 WeakPolarHBondContact OH-CD2 3.1Å; Y188-V203 HydrophobicContact CD2-CG1 3.91Å; Y188-V203 HydrophobicContact CE2-CG1 3.81Å; Y188-V203 HydrophobicContact CE2-CG2 4.03Å |
| 189 | P | 85.7 | Confident | 77 | Confident | 40 Ų | 40 | 73.7 Ų | 73.7 | 26% | 0.26 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.4 | 128.1 | 172.1 | -23 | 35.2 | 0 | 0 | 0 | 110.4 | N191 E192 | P189-N191 WeakPolarHBondContact CB-OD1 2.8Å; P189-N191 PolarHBondContact O-N 2.74Å; P189-E192 HydrophobicContact CB-CG 4.38Å; P189-E192 WeakPolarHBondContact O-CB 3.32Å; P189-E192 PolarHBondContact O-N 3.06Å; P189-E192 VanDerWaalsContact O-N 3.12Å |
| 190 | L | 86.2 | Confident | 76.9 | Confident | 0 Ų | 0 | 70.7 Ų | 70.7 | 0% | 0 | 35% | 0.345 | C | S | . | . | G | 310 helix | trans | -70.4 | -19.9 | -176.8 | -66.1 | -165.7 | 0 | 0 | 0 | 112.6 | L90 L127 L157 F162 R165 L167 Y188 E192 Y193 | L90-L190 HydrophobicContact CD1-CD1 4.48Å; L90-L190 HydrophobicContact CD2-CD1 3.7Å; L90-L190 HydrophobicContact CD2-CD2 4.39Å; L127-L190 HydrophobicContact CD1-CD1 4Å; L157-L190 HydrophobicContact CD2-CD1 3.49Å; L157-L190 VanDerWaalsContact CD2-CD1 3.49Å; F162-L190 HydrophobicContact CD1-CB 4.23Å; F162-L190 HydrophobicContact CD2-CD1 4.15Å; F162-L190 HydrophobicContact CE1-CB 3.9Å; F162-L190 WeakPolarHBondContact CE1-O 3.4Å; F162-L190 HydrophobicContact CE2-CB 4.44Å; F162-L190 HydrophobicContact CE2-CD1 3.93Å; F162-L190 HydrophobicContact CZ-CB 4Å; F162-L190 HydrophobicContact CZ-CD1 4.27Å; F162-L190 VanDerWaalsContact O-CB 3.32Å; F162-L190 WeakPolarHBondContact O-CB 3.37Å; R165-L190 HydrophobicContact CB-CB 4.49Å; R165-L190 HydrophobicContact CB-CD1 3.75Å; R165-L190 HydrophobicContact CB-CG 4.11Å; R165-L190 PolarHBondContact O-N 2.83Å; L167-L190 HydrophobicContact CB-CD2 4.37Å; Y188-L190 HydrophobicContact CD1-CD2 4.09Å; Y188-L190 HydrophobicContact CE1-CD2 4.36Å; Y188-L190 PolarHBondContact O-N 2.87Å; L190-E192 PolarHBondContact O-N 3.01Å; L190-Y193 WeakPolarHBondContact O-CA 3.46Å; L190-Y193 WeakPolarHBondContact O-CB 3.25Å; L190-Y193 PolarHBondContact O-N 3.44Å |
| 191 | N | 81.6 | Confident | 77.1 | Confident | 97 Ų | 97 | 69.8 Ų | 69.8 | 52% | 0.519 | 34% | 0.34 | S | S | . | . | G | 310 helix | trans | -63.5 | -17.1 | 171.1 | 64.9 | 7.7 | 0 | 0 | 0 | 113.9 | D163 P189 Y193 | D163-N191 HydrophobicContact CB-CB 4.24Å; P189-N191 WeakPolarHBondContact CB-OD1 2.8Å; P189-N191 PolarHBondContact O-N 2.74Å; N191-Y193 VanDerWaalsContact C-N 3.25Å |
| 192 | E | 79.5 | Confident | 77.3 | Confident | 88 Ų | 88 | 73.6 Ų | 73.6 | 41% | 0.411 | 36% | 0.355 | S | S | . | . | G | 310 helix | trans | -75.6 | -17.4 | 170.9 | -65.7 | -177.3 | -166.8 | 0 | 0 | 111.8 | Y188 P189 L190 T194 R205 | Y188-E192 HydrophobicContact CE2-CB 4.31Å; P189-E192 HydrophobicContact CB-CG 4.38Å; P189-E192 WeakPolarHBondContact O-CB 3.32Å; P189-E192 PolarHBondContact O-N 3.06Å; P189-E192 VanDerWaalsContact O-N 3.12Å; L190-E192 PolarHBondContact O-N 3.01Å; E192-T194 PolarHBondContact O-N 2.91Å; E192-R205 IonicContact OE2-NH2 3.81Å; E192-R205 PolarHBondContact OE2-NH2 3.3Å |
| 193 | Y | 78.3 | Confident | 77.5 | Confident | 12 Ų | 12 | 72.6 Ų | 72.6 | 5% | 0.047 | 35% | 0.349 | C | S | . | . | trans | -71.7 | 97.2 | 179 | -175.7 | -99 | 0 | 0 | 0 | 110.2 | I81 F83 F162 Y188 L190 N191 L195 K199 L201 | I81-Y193 HydrophobicContact CB-CD2 3.98Å; I81-Y193 HydrophobicContact CB-CE2 3.76Å; I81-Y193 HydrophobicContact CD1-CD2 4.4Å; I81-Y193 HydrophobicContact CG2-CD2 3.85Å; I81-Y193 HydrophobicContact CG2-CE2 3.72Å; I81-Y193 WeakPolarHBondContact O-CE2 3.44Å; I81-Y193 PolarHBondContact O-OH 2.68Å; F83-Y193 HydrophobicContact CB-CE1 4.19Å; F162-Y193 AromaticContact CE1-CD1 3.86Å; F162-Y193 HydrophobicContact CE1-CD1 3.86Å; F162-Y193 HydrophobicContact CE1-CG 4.29Å; F162-Y193 HydrophobicContact CE2-CD1 4.45Å; F162-Y193 AromaticContact CZ-CD1 3.4Å; F162-Y193 HydrophobicContact CZ-CD1 3.4Å; F162-Y193 VanDerWaalsContact CZ-CD1 3.4Å; F162-Y193 HydrophobicContact CZ-CE1 4.15Å; F162-Y193 AromaticContact CZ-CG 3.83Å; F162-Y193 HydrophobicContact CZ-CG 3.83Å; Y188-Y193 PolarHBondContact OH-N 3.25Å; L190-Y193 WeakPolarHBondContact O-CA 3.46Å; L190-Y193 WeakPolarHBondContact O-CB 3.25Å; L190-Y193 PolarHBondContact O-N 3.44Å; N191-Y193 VanDerWaalsContact C-N 3.25Å; Y193-L195 HydrophobicContact CD1-CD1 4.01Å; Y193-L195 HydrophobicContact CD1-CG 4.24Å; Y193-L195 HydrophobicContact CE1-CD1 3.71Å; Y193-L195 HydrophobicContact CE1-CG 3.63Å; Y193-L195 PolarHBondContact O-N 2.89Å; Y193-K199 PolarHBondContact OH-O 3.43Å; Y193-L201 HydrophobicContact CD2-CB 3.88Å; Y193-L201 HydrophobicContact CD2-CD2 3.54Å; Y193-L201 HydrophobicContact CD2-CG 4.37Å; Y193-L201 HydrophobicContact CE2-CB 3.46Å; Y193-L201 VanDerWaalsContact CE2-CB 3.46Å; Y193-L201 HydrophobicContact CE2-CD2 4.05Å; Y193-L201 HydrophobicContact CE2-CG 4.42Å; Y193-L201 HydrophobicContact CG-CD2 4.45Å | ||
| 194 | T | 66.9 | Low | 77.6 | Confident | 88 Ų | 88 | 78.3 Ų | 78.3 | 54% | 0.54 | 37% | 0.368 | S | S | . | . | trans | -94.2 | 102.1 | 178.6 | -58.4 | 0 | 0 | 0 | 0 | 110.2 | E192 K196 | E192-T194 PolarHBondContact O-N 2.91Å; T194-K196 HydrophobicContact CG2-CB 3.77Å; T194-K196 HydrophobicContact CG2-CD 3.68Å; T194-K196 HydrophobicContact CG2-CG 3.54Å; T194-K196 PolarHBondContact O-N 3.22Å | ||
| 195 | L | 61.2 | Low | 77.6 | Confident | 97 Ų | 97 | 82.8 Ų | 82.8 | 51% | 0.508 | 39% | 0.385 | S | S | . | . | trans | -55.8 | -8.4 | 176.5 | -97.3 | 124.2 | 0 | 0 | 0 | 115.7 | Y193 K197 | Y193-L195 HydrophobicContact CD1-CD1 4.01Å; Y193-L195 HydrophobicContact CD1-CG 4.24Å; Y193-L195 HydrophobicContact CE1-CD1 3.71Å; Y193-L195 HydrophobicContact CE1-CG 3.63Å; Y193-L195 PolarHBondContact O-N 2.89Å; L195-K197 PolarHBondContact O-N 3.44Å | ||
| 196 | K | 53.7 | Low | 77.6 | Confident | 185 Ų | 185 | 84.7 Ų | 84.7 | 80% | 0.804 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -63.5 | -6.7 | -157.3 | -70.2 | -178.3 | 177.4 | 177.1 | 0 | 116.7 | T194 | T194-K196 HydrophobicContact CG2-CB 3.77Å; T194-K196 HydrophobicContact CG2-CD 3.68Å; T194-K196 HydrophobicContact CG2-CG 3.54Å; T194-K196 PolarHBondContact O-N 3.22Å |
| 197 | K | 53.1 | Low | 77.6 | Confident | 203 Ų | 203 | 84.9 Ų | 84.9 | 88% | 0.883 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -144 | -14.4 | 177.1 | -69 | -171.2 | 179.1 | 176.6 | 0 | 117 | L195 | L195-K197 PolarHBondContact O-N 3.44Š|
| 198 | K | 58 | Low | 77.4 | Confident | 160 Ų | 160 | 87.1 Ų | 87.1 | 70% | 0.696 | 41% | 0.405 | S | S | * | . | trans | -146.3 | 143.7 | -176.1 | -65.9 | -174.7 | 178.7 | -179.7 | 0 | 110.9 | H200 | K198-H200 VanDerWaalsContact CB-O 3.22Å; K198-H200 WeakPolarHBondContact CB-O 2.94Å; K198-H200 PolarHBondContact O-N 3.17Å | ||
| 199 | K | 66.6 | Low | 76.9 | Confident | 160 Ų | 160 | 93.7 Ų | 93.7 | 70% | 0.696 | 43% | 0.434 | S | S | * | . | S | Bend | trans | -64.8 | -22.8 | 169.8 | -70.8 | -168.9 | 176.3 | -169.2 | 0 | 112.5 | Y193 | Y193-K199 PolarHBondContact OH-O 3.43Š|
| 200 | H | 73.4 | Confident | 75.6 | Confident | 79 Ų | 79 | 92.4 Ų | 92.4 | 37% | 0.366 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 131 | -175.8 | -39 | 94.9 | 0 | 0 | 0 | 109.1 | E82 W93 K198 | E82-H200 VanDerWaalsContact CD-CD2 3.4Å; E82-H200 IonicContact OE1-CD2 3.37Å; E82-H200 IonicContact OE1-NE2 3.56Å; E82-H200 PolarHBondContact OE1-NE2 3.34Å; E82-H200 IonicContact OE2-CD2 3.55Å; E82-H200 PolarHBondContact OE2-CD2 3.47Å; E82-H200 IonicContact OE2-NE2 2.86Å; W93-H200 AromaticContact CZ3-CD2 3.73Å; K198-H200 VanDerWaalsContact CB-O 3.22Å; K198-H200 WeakPolarHBondContact CB-O 2.94Å; K198-H200 PolarHBondContact O-N 3.17Å |
| 201 | L | 84.2 | Confident | 73.9 | Confident | 56 Ų | 56 | 100.3 Ų | 100.3 | 29% | 0.293 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 115.2 | 175.5 | -176.3 | 69.7 | 0 | 0 | 0 | 109.7 | E80 I81 Y188 Y193 V203 | E80-L201 CarbonylContact C-O 3.55Å; E80-L201 VanDerWaalsContact CA-O 3.22Å; E80-L201 WeakPolarHBondContact CA-O 3.41Å; I81-L201 PolarHBondContact N-O 3.47Å; I81-L201 PolarHBondContact O-N 2.98Å; Y188-L201 VanDerWaalsContact OH-CD2 3.23Å; Y188-L201 WeakPolarHBondContact OH-CD2 3.1Å; Y193-L201 HydrophobicContact CD2-CB 3.88Å; Y193-L201 HydrophobicContact CD2-CD2 3.54Å; Y193-L201 HydrophobicContact CD2-CG 4.37Å; Y193-L201 HydrophobicContact CE2-CB 3.46Å; Y193-L201 VanDerWaalsContact CE2-CB 3.46Å; Y193-L201 HydrophobicContact CE2-CD2 4.05Å; Y193-L201 HydrophobicContact CE2-CG 4.42Å; Y193-L201 HydrophobicContact CG-CD2 4.45Å; L201-V203 HydrophobicContact CD2-CG2 3.72Å; L201-V203 HydrophobicContact CG-CG2 3.75Å |
| 202 | E | 87.6 | Confident | 72 | Confident | 124 Ų | 124 | 101.5 Ų | 101.5 | 58% | 0.579 | 47% | 0.472 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 126.3 | 169.5 | -171 | -179.1 | -177.4 | 0 | 0 | 109.6 | E80 | E80-E202 HydrophobicContact CG-CB 4.28Å; E80-E202 HydrophobicContact CG-CG 4.27Å |
| 203 | V | 88.2 | Confident | 70.2 | Confident | 11 Ų | 11 | 101.4 Ų | 101.4 | 7% | 0.067 | 47% | 0.472 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 137.8 | -176.6 | -176.8 | 0 | 0 | 0 | 0 | 109.3 | W78 F79 I81 Y188 L201 R205 | W78-V203 WeakPolarHBondContact CA-O 3.39Å; F79-V203 HydrophobicContact CD1-CB 4.48Å; F79-V203 HydrophobicContact CD2-CB 4.48Å; F79-V203 HydrophobicContact CE1-CB 4.05Å; F79-V203 HydrophobicContact CE1-CG1 3.83Å; F79-V203 HydrophobicContact CE2-CB 4.09Å; F79-V203 HydrophobicContact CE2-CG1 4.31Å; F79-V203 HydrophobicContact CZ-CB 3.84Å; F79-V203 HydrophobicContact CZ-CG1 3.61Å; F79-V203 PolarHBondContact N-O 3.46Å; F79-V203 PolarHBondContact O-N 2.95Å; I81-V203 HydrophobicContact CD1-CG2 4.36Å; Y188-V203 HydrophobicContact CD2-CG1 3.91Å; Y188-V203 HydrophobicContact CE2-CG1 3.81Å; Y188-V203 HydrophobicContact CE2-CG2 4.03Å; L201-V203 HydrophobicContact CD2-CG2 3.72Å; L201-V203 HydrophobicContact CG-CG2 3.75Å; V203-R205 HydrophobicContact CG1-CG 4.14Å |
| 204 | W | 89.3 | Confident | 68.1 | Low | 140 Ų | 140 | 104.1 Ų | 104.1 | 53% | 0.53 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 143.6 | 165.9 | 60 | -94.8 | 0 | 0 | 0 | 110.8 | I77 W78 | I77-W204 WeakPolarHBondContact O-CA 3.21Å; W78-W204 HydrophobicContact CD2-CB 4.49Å; W78-W204 HydrophobicContact CG-CB 4.2Å |
| 205 | R | 87.1 | Confident | 66.7 | Low | 93 Ų | 93 | 107.9 Ų | 107.9 | 35% | 0.351 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 145.3 | 178.8 | -70.8 | -66.8 | -172 | -134.3 | 6.5 | 110.3 | R76 I77 F79 V186 E192 V203 | R76-R205 WeakPolarHBondContact CA-O 3.46Å; I77-R205 HydrophobicContact CG2-CB 4.37Å; I77-R205 WeakPolarHBondContact CG2-O 3.48Å; I77-R205 PolarHBondContact N-O 3.11Å; I77-R205 PolarHBondContact O-N 3.01Å; F79-R205 HydrophobicContact CE1-CG 4.33Å; V186-R205 HydrophobicContact CB-CB 4.32Å; V186-R205 HydrophobicContact CG1-CB 3.46Å; V186-R205 VanDerWaalsContact CG1-CB 3.46Å; V186-R205 HydrophobicContact CG1-CG 3.68Å; V186-R205 HydrophobicContact CG2-CB 3.83Å; E192-R205 IonicContact OE2-NH2 3.81Å; E192-R205 PolarHBondContact OE2-NH2 3.3Å; V203-R205 HydrophobicContact CG1-CG 4.14Å |
| 206 | D | 88.7 | Confident | 65.9 | Low | 58 Ų | 58 | 106.1 Ų | 106.1 | 31% | 0.31 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 137.2 | 169.9 | -69.7 | -28.3 | 0 | 0 | 0 | 109.8 | H73 G75 R76 | H73-D206 IonicContact CD2-OD1 3.13Å; H73-D206 IonicContact CD2-OD2 2.79Å; H73-D206 IonicContact CE1-OD1 3.74Å; H73-D206 VanDerWaalsContact NE2-CG 3.25Å; H73-D206 IonicContact NE2-OD1 3.94Å; H73-D206 PolarHBondContact NE2-OD1 3.39Å; H73-D206 IonicContact NE2-OD2 3.75Å; G75-D206 WeakPolarHBondContact O-CA 3.25Å; R76-D206 WeakPolarHBondContact CB-OD1 3.31Å; R76-D206 WeakPolarHBondContact CG-OD1 3.33Å; R76-D206 IonicContact CZ-OD1 3.89Å; R76-D206 IonicContact CZ-OD2 3.16Å; R76-D206 IonicContact NE-OD1 2.89Å; R76-D206 PolarHBondContact NE-OD1 3.5Å; R76-D206 IonicContact NE-OD2 2.71Å; R76-D206 IonicContact NH2-OD1 3.44Å; R76-D206 PolarHBondContact NH2-OD1 2.99Å; R76-D206 IonicContact NH2-OD2 3.75Å; R76-D206 PolarHBondContact NH2-OD2 3.4Å; R76-D206 VanDerWaalsContact NH2-OD2 3.13Å |
| 207 | F | 88.2 | Confident | 65.7 | Low | 7 Ų | 7 | 100.1 Ų | 100.1 | 3% | 0.031 | 48% | 0.476 | C | S | . | . | P | Polyproline II helix | trans | -64.8 | 136.9 | 174.6 | -76.2 | -76.7 | 0 | 0 | 0 | 110.4 | I74 G75 I77 V97 L100 L123 A171 V186 | I74-F207 HydrophobicContact CB-CB 4.21Å; I74-F207 HydrophobicContact CG2-CB 4.1Å; G75-F207 WeakPolarHBondContact O-CD2 3.32Å; G75-F207 PolarHBondContact O-N 3.11Å; I77-F207 HydrophobicContact CB-CE2 3.81Å; I77-F207 HydrophobicContact CB-CZ 3.83Å; I77-F207 HydrophobicContact CD1-CZ 4.13Å; I77-F207 HydrophobicContact CG2-CE2 4.25Å; I77-F207 HydrophobicContact CG2-CZ 4.12Å; V97-F207 HydrophobicContact CG1-CE2 3.72Å; V97-F207 HydrophobicContact CG2-CE2 4.06Å; V97-F207 HydrophobicContact CG2-CZ 4.26Å; L100-F207 HydrophobicContact CD2-CD2 4.4Å; L100-F207 HydrophobicContact CD2-CE2 4.38Å; L123-F207 HydrophobicContact CD2-CZ 4.17Å; A171-F207 HydrophobicContact CB-CD1 4.25Å; A171-F207 HydrophobicContact CB-CE1 3.73Å; A171-F207 HydrophobicContact CB-CE2 4.32Å; A171-F207 HydrophobicContact CB-CZ 3.77Å; V186-F207 HydrophobicContact CG2-CD1 3.81Å; V186-F207 HydrophobicContact CG2-CE1 4.1Å; V186-F207 HydrophobicContact CG2-CG 4.23Å |
| 208 | Q | 81.9 | Confident | 66.1 | Low | 124 Ų | 124 | 93.2 Ų | 93.2 | 58% | 0.579 | 45% | 0.453 | S | S | * | . | B | Isolated β-bridge | trans | -102 | 146.9 | 171.2 | -59 | 179.7 | 18.3 | 0 | 0 | 108.6 | G184 H185 D210 | G184-Q208 CarbonylContact C-O 3.53Å; G184-Q208 WeakPolarHBondContact CA-O 3.06Å; H185-Q208 PolarHBondContact N-O 3.19Å; H185-Q208 PolarHBondContact O-N 3.13Å; Q208-D210 PolarHBondContact O-N 3.3Å |
| 209 | K | 74.9 | Confident | 67.1 | Low | 146 Ų | 146 | 86.1 Ų | 86.1 | 64% | 0.635 | 42% | 0.424 | S | S | * | . | P | Polyproline II helix | trans | -65.7 | 131.9 | 171.6 | -90.9 | 167.7 | -174.4 | -176 | 0 | 108.3 | I74 E211 | I74-K209 HydrophobicContact CD1-CB 4.24Å; I74-K209 HydrophobicContact CD1-CD 4.12Å; I74-K209 HydrophobicContact CD1-CG 3.61Å; I74-K209 HydrophobicContact CG1-CG 4.3Å; K209-E211 VanDerWaalsContact C-N 3.35Å; K209-E211 PolarHBondContact O-N 2.9Å |
| 210 | D | 59.8 | Low | 68.2 | Low | 12 Ų | 12 | 80.5 Ų | 80.5 | 6% | 0.064 | 40% | 0.4 | C | S | . | . | trans | -72.1 | 96.1 | 170.3 | -147.6 | -29.2 | 0 | 0 | 0 | 107.7 | K168 H185 Q208 T212 E213 | K168-D210 IonicContact NZ-OD2 3.38Å; K168-D210 PolarHBondContact NZ-OD2 3.3Å; H185-D210 IonicContact CE1-OD1 3.84Å; H185-D210 IonicContact CG-OD2 2.7Å; H185-D210 VanDerWaalsContact ND1-CA 3.33Å; H185-D210 WeakPolarHBondContact ND1-CA 3.42Å; H185-D210 VanDerWaalsContact ND1-CB 3.32Å; H185-D210 WeakPolarHBondContact ND1-CB 3.22Å; H185-D210 VanDerWaalsContact ND1-CG 3.33Å; H185-D210 PolarHBondContact ND1-N 2.86Å; H185-D210 IonicContact ND1-OD1 3.96Å; H185-D210 IonicContact ND1-OD2 3.96Å; H185-D210 PolarHBondContact ND1-OD2 2.79Å; Q208-D210 PolarHBondContact O-N 3.3Å; D210-T212 PolarHBondContact O-N 3.12Å; D210-T212 VanDerWaalsContact O-N 3.15Å; D210-T212 WeakPolarHBondContact OD1-CB 3.46Å; D210-T212 PolarHBondContact OD1-N 3.18Å; D210-T212 PolarHBondContact OD1-OG1 3.39Å; D210-E213 HydrophobicContact CB-CB 4.48Å | ||
| 211 | E | 48.9 | Very low | 69.1 | Low | 167 Ų | 167 | 76.7 Ų | 76.7 | 78% | 0.78 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -13.1 | 172.8 | -64.1 | -170.5 | 160.6 | 0 | 0 | 111.2 | K209 | K209-E211 VanDerWaalsContact C-N 3.35Å; K209-E211 PolarHBondContact O-N 2.9Å |
| 212 | T | 43.3 | Very low | 69.7 | Low | 121 Ų | 121 | 75.8 Ų | 75.8 | 74% | 0.742 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.5 | -15.9 | -172.5 | -2.1 | 0 | 0 | 0 | 0 | 115 | D210 | D210-T212 PolarHBondContact O-N 3.12Å; D210-T212 VanDerWaalsContact O-N 3.15Å; D210-T212 WeakPolarHBondContact OD1-CB 3.46Å; D210-T212 PolarHBondContact OD1-N 3.18Å; D210-T212 PolarHBondContact OD1-OG1 3.39Å |
| 213 | E | 40.4 | Very low | 70.1 | Confident | 87 Ų | 87 | 69.9 Ų | 69.9 | 41% | 0.407 | 35% | 0.349 | S | S | . | . | trans | -127.1 | 23.6 | -176.3 | -84.1 | -173.8 | -163.4 | 0 | 0 | 113.9 | D210 Q215 | D210-E213 HydrophobicContact CB-CB 4.48Å; E213-Q215 VanDerWaalsContact C-N 3.31Å; E213-Q215 PolarHBondContact O-N 3.44Å | ||
| 214 | S | 35.7 | Very low | 70.5 | Confident | 68 Ų | 68 | 70.1 Ų | 70.1 | 48% | 0.476 | 35% | 0.351 | S | S | . | . | trans | -63.2 | 100 | 159.9 | -60.9 | 0 | 0 | 0 | 0 | 107.8 | S216 L217 | S214-S216 PolarHBondContact O-N 3.32Å; S214-L217 PolarHBondContact O-N 3.24Å | ||
| 215 | Q | 36.4 | Very low | 70.9 | Confident | 168 Ų | 168 | 63.4 Ų | 63.4 | 79% | 0.785 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | 70.5 | 166.7 | -68.9 | 173.8 | -11.7 | 0 | 0 | 109.8 | E213 | E213-Q215 VanDerWaalsContact C-N 3.31Å; E213-Q215 PolarHBondContact O-N 3.44Å |
| 216 | S | 44.1 | Very low | 71.4 | Confident | 59 Ų | 59 | 60.4 Ų | 60.4 | 41% | 0.413 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 178.6 | 7.5 | 166.4 | 58.4 | 0 | 0 | 0 | 0 | 114 | S214 S218 | S214-S216 PolarHBondContact O-N 3.32Å; S216-S218 PolarHBondContact O-N 3.42Å |
| 217 | L | 50.6 | Low | 71.9 | Confident | 59 Ų | 59 | 57.7 Ų | 57.7 | 31% | 0.309 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | 48.4 | 169.2 | -69.2 | 171.8 | 0 | 0 | 0 | 112 | S214 F358 L359 | S214-L217 PolarHBondContact O-N 3.24Å; L217-F358 HydrophobicContact CB-CD1 4.22Å; L217-F358 WeakPolarHBondContact O-CD1 3.48Å; L217-F358 WeakPolarHBondContact O-CE1 3.26Å; L217-L359 WeakPolarHBondContact CD2-O 3.29Å |
| 218 | S | 61.8 | Low | 72.3 | Confident | 58 Ų | 58 | 59.6 Ų | 59.6 | 41% | 0.406 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -21.5 | 166.4 | 61.5 | 0 | 0 | 0 | 0 | 111.1 | S216 E220 D243 | S216-S218 PolarHBondContact O-N 3.42Å; S218-E220 PolarHBondContact O-N 3.41Å; S218-E220 VanDerWaalsContact O-N 3.09Å; S218-D243 WeakPolarHBondContact O-CB 3.46Å; S218-D243 WeakPolarHBondContact OG-CB 3.24Å; S218-D243 PolarHBondContact OG-O 3.01Å |
| 219 | S | 78.3 | Confident | 72.8 | Confident | 12 Ų | 12 | 57.1 Ų | 57.1 | 8% | 0.084 | 30% | 0.304 | C | S | . | . | trans | -74.1 | 102.7 | -173.9 | -57.4 | 0 | 0 | 0 | 0 | 111.8 | R242 D243 L244 D245 L359 | S219-R242 VanDerWaalsContact CA-O 3.29Å; S219-R242 WeakPolarHBondContact CA-O 3.16Å; S219-D243 WeakPolarHBondContact CA-O 3.32Å; S219-D243 PolarHBondContact N-O 2.96Å; S219-D243 PolarHBondContact OG-O 2.69Å; S219-L244 VanDerWaalsContact OG-CA 3.25Å; S219-L244 WeakPolarHBondContact OG-CA 3.29Å; S219-D245 PolarHBondContact OG-N 3.41Å; S219-L359 WeakPolarHBondContact O-CB 3.46Å; S219-L359 PolarHBondContact O-N 3.39Å | ||
| 220 | E | 89.4 | Confident | 73.7 | Confident | 41 Ų | 41 | 54.4 Ų | 54.4 | 19% | 0.192 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 151.3 | 175.4 | -59.8 | -177 | 115.2 | 0 | 0 | 111.4 | S218 A241 R242 W356 H357 F358 | S218-E220 PolarHBondContact O-N 3.41Å; S218-E220 VanDerWaalsContact O-N 3.09Å; E220-A241 CarbonylContact O-C 3.4Å; E220-A241 VanDerWaalsContact O-CA 3.22Å; E220-A241 WeakPolarHBondContact O-CA 3.33Å; E220-R242 PolarHBondContact N-O 3.24Å; E220-R242 VanDerWaalsContact N-O 3.15Å; E220-R242 PolarHBondContact O-N 3.39Å; E220-W356 HydrophobicContact CB-CE3 3.68Å; E220-W356 HydrophobicContact CB-CZ3 4.09Å; E220-H357 CarbonylContact C-O 3.57Å; E220-H357 VanDerWaalsContact CA-O 3.28Å; E220-H357 WeakPolarHBondContact CA-O 3.35Å; E220-F358 HydrophobicContact CG-CD1 3.65Å; E220-F358 HydrophobicContact CG-CE1 3.62Å; E220-F358 HydrophobicContact CG-CZ 4.49Å; E220-F358 WeakPolarHBondContact OE1-CE1 3.48Å |
| 221 | L | 93.2 | Very high | 75.4 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 128.1 | 175.2 | -168.5 | 71.9 | 0 | 0 | 0 | 110.1 | I238 A241 I312 L326 H357 L359 | L221-I238 HydrophobicContact CD1-CG2 3.68Å; L221-I238 HydrophobicContact CD2-CD1 4.5Å; L221-I238 HydrophobicContact CD2-CG2 4.21Å; L221-I238 HydrophobicContact CG-CG2 3.99Å; L221-A241 HydrophobicContact CD1-CB 3.62Å; L221-I312 HydrophobicContact CD2-CG2 3.75Å; L221-L326 HydrophobicContact CD2-CD2 4.22Å; L221-H357 PolarHBondContact N-O 3.27Å; L221-H357 PolarHBondContact O-N 3.02Å; L221-L359 HydrophobicContact CB-CD1 4.24Å; L221-L359 HydrophobicContact CB-CD2 3.81Å; L221-L359 HydrophobicContact CB-CG 4.08Å; L221-L359 HydrophobicContact CD2-CD2 4.17Å |
| 222 | H | 95.5 | Very high | 77.6 | Confident | 36 Ų | 36 | 52.7 Ų | 52.7 | 17% | 0.167 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 118.2 | 175.7 | -175.3 | -96 | 0 | 0 | 0 | 111 | S239 Q240 W356 | H222-S239 WeakPolarHBondContact CB-OG 3.22Å; H222-S239 PolarHBondContact ND1-OG 3.29Å; H222-S239 PolarHBondContact O-N 2.94Å; H222-Q240 HydrophobicContact CB-CG 4.41Å; H222-Q240 PolarHBondContact N-O 2.91Å; H222-W356 HydrophobicContact CB-CD2 3.82Å; H222-W356 HydrophobicContact CB-CE3 3.79Å; H222-W356 HydrophobicContact CB-CH2 3.62Å; H222-W356 HydrophobicContact CB-CZ2 3.58Å; H222-W356 HydrophobicContact CB-CZ3 3.73Å; H222-W356 AromaticContact CD2-CD1 3.67Å; H222-W356 AromaticContact CD2-CD2 3.93Å; H222-W356 AromaticContact CD2-CE2 3.5Å; H222-W356 AromaticContact CD2-CZ2 3.98Å; H222-W356 AromaticContact CD2-NE1 3.34Å; H222-W356 PolarHBondContact CD2-NE1 3.49Å; H222-W356 VanDerWaalsContact CD2-NE1 3.34Å; H222-W356 AromaticContact CG-CE2 3.89Å; H222-W356 AromaticContact CG-CZ2 3.96Å |
| 223 | C | 96.4 | Very high | 80.2 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 133.1 | -174.9 | -67 | 0 | 0 | 0 | 0 | 109.9 | L236 L328 Q341 S354 E355 | C223-L236 HydrophobicContact CB-CD1 4.05Å; C223-L328 HydrophobicContact CB-CD1 4.14Å; C223-Q341 PolarHBondContact O-NE2 2.99Å; C223-S354 WeakPolarHBondContact O-CA 3.24Å; C223-E355 PolarHBondContact N-O 2.83Å; C223-E355 PolarHBondContact O-N 2.79Å |
| 224 | S | 97.8 | Very high | 82.9 | Confident | 16 Ų | 16 | 48.5 Ų | 48.5 | 11% | 0.112 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 126.8 | 172.3 | -55.9 | 0 | 0 | 0 | 0 | 109.9 | L236 T237 V353 S354 | S224-L236 CarbonylContact O-C 3.6Å; S224-L236 WeakPolarHBondContact O-CA 3.48Å; S224-T237 PolarHBondContact N-O 3.46Å; S224-T237 PolarHBondContact O-N 3.32Å; S224-V353 CarbonylContact C-O 3.43Å; S224-V353 WeakPolarHBondContact CA-O 3.43Å; S224-S354 WeakPolarHBondContact CB-OG 3.1Å; S224-S354 WeakPolarHBondContact OG-CB 3.49Å; S224-S354 PolarHBondContact OG-OG 2.88Å |
| 225 | L | 97.6 | Very high | 85.8 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 138.4 | -180 | -73.7 | 178.5 | 0 | 0 | 0 | 110.8 | L234 L236 L310 L328 Q341 W342 M345 V352 V353 | L225-L234 HydrophobicContact CD2-CD1 4.49Å; L225-L236 HydrophobicContact CD2-CB 4.08Å; L225-L236 HydrophobicContact CD2-CD1 3.64Å; L225-L236 HydrophobicContact CD2-CG 4.45Å; L225-L236 HydrophobicContact CG-CD1 4.33Å; L225-L310 HydrophobicContact CD2-CD1 3.83Å; L225-L328 HydrophobicContact CD1-CD1 3.94Å; L225-L328 HydrophobicContact CD2-CD1 4.3Å; L225-L328 HydrophobicContact CG-CD1 4.21Å; L225-Q341 HydrophobicContact CD1-CG 4.16Å; L225-W342 HydrophobicContact CD1-CE3 4.01Å; L225-M345 HydrophobicContact CB-CB 4.28Å; L225-M345 HydrophobicContact CB-CG 4.1Å; L225-M345 HydrophobicContact CB-SD 3.74Å; L225-M345 HydrophobicContact CD1-SD 4.2Å; L225-M345 HydrophobicContact CD2-SD 4.48Å; L225-M345 HydrophobicContact CG-SD 4.38Å; L225-V352 WeakPolarHBondContact O-CA 3.42Å; L225-V353 PolarHBondContact N-O 3.29Å; L225-V353 PolarHBondContact O-N 2.9Å |
| 226 | V | 97.5 | Very high | 88.7 | Confident | 29 Ų | 29 | 38.1 Ų | 38.1 | 18% | 0.176 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 135.3 | 166.9 | 58.8 | 0 | 0 | 0 | 0 | 109.8 | T235 T351 V352 | V226-T235 HydrophobicContact CG1-CG2 4.36Å; V226-T235 PolarHBondContact N-O 3.15Å; V226-T235 PolarHBondContact O-N 3.26Å; V226-T351 WeakPolarHBondContact CG2-O 3.32Å; V226-V352 HydrophobicContact CB-CG2 4.14Å; V226-V352 HydrophobicContact CG1-CG2 4.39Å |
| 227 | Y | 97.7 | Very high | 91.3 | Very high | 1 Ų | 1 | 37.1 Ų | 37.1 | 0% | 0.004 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 125.5 | 173 | -177.3 | -105.3 | 0 | 0 | 0 | 110.5 | N229 R233 L234 L300 P302 L305 M349 K350 | Y227-N229 HydrophobicContact CD1-CB 4.41Å; Y227-N229 HydrophobicContact CE1-CB 3.83Å; Y227-R233 WeakPolarHBondContact CA-O 3.34Å; Y227-R233 WeakPolarHBondContact CD2-O 3.41Å; Y227-L234 HydrophobicContact CD2-CB 3.97Å; Y227-L234 HydrophobicContact CD2-CD1 4.39Å; Y227-L300 WeakPolarHBondContact CE2-O 3.42Å; Y227-L300 PolarHBondContact OH-O 3.04Å; Y227-P302 WeakPolarHBondContact OH-CD 3.35Å; Y227-P302 WeakPolarHBondContact OH-CG 3.47Å; Y227-L305 HydrophobicContact CD1-CD1 3.93Å; Y227-L305 HydrophobicContact CD2-CD2 4Å; Y227-L305 HydrophobicContact CE1-CD1 3.67Å; Y227-L305 HydrophobicContact CE2-CD1 4.38Å; Y227-L305 HydrophobicContact CE2-CD2 4.03Å; Y227-L305 HydrophobicContact CE2-CG 4.49Å; Y227-L305 HydrophobicContact CG-CD1 4.39Å; Y227-L305 HydrophobicContact CG-CD2 4.32Å; Y227-M349 HydrophobicContact CD1-CG 4.4Å; Y227-M349 HydrophobicContact CD1-SD 4.21Å; Y227-M349 HydrophobicContact CE1-SD 4.44Å; Y227-M349 CarbonylContact O-C 3.6Å; Y227-K350 PolarHBondContact O-N 2.82Å |
| 228 | N | 96.4 | Very high | 93.5 | Very high | 48 Ų | 48 | 34.3 Ų | 34.3 | 26% | 0.257 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 102.9 | 173.3 | -174 | -17.9 | 0 | 0 | 0 | 109.7 | S230 I231 E232 R233 K350 | N228-S230 VanDerWaalsContact C-N 3.33Å; N228-S230 PolarHBondContact O-N 3.13Å; N228-S230 WeakPolarHBondContact OD1-CB 3.45Å; N228-S230 PolarHBondContact OD1-N 2.85Å; N228-S230 VanDerWaalsContact OD1-N 3.1Å; N228-I231 HydrophobicContact CB-CD1 4.22Å; N228-I231 HydrophobicContact CB-CG1 3.84Å; N228-I231 PolarHBondContact O-N 3.2Å; N228-E232 PolarHBondContact O-N 3Å; N228-E232 VanDerWaalsContact O-N 3.09Å; N228-R233 PolarHBondContact N-O 3.26Å; N228-R233 PolarHBondContact O-N 3.02Å; N228-K350 HydrophobicContact CB-CG 4.38Å; N228-K350 VanDerWaalsContact OD1-CE 3.29Å; N228-K350 WeakPolarHBondContact OD1-CE 3.38Å |
| 229 | N | 93.5 | Very high | 95 | Very high | 72 Ų | 72 | 32.6 Ų | 32.6 | 39% | 0.385 | 17% | 0.174 | S | C | . | . | G | 310 helix | trans | -59.8 | -39.8 | -179.7 | -173.6 | 18 | 0 | 0 | 0 | 112.9 | Y227 I231 E232 P302 M349 | Y227-N229 HydrophobicContact CD1-CB 4.41Å; Y227-N229 HydrophobicContact CE1-CB 3.83Å; N229-I231 PolarHBondContact O-N 2.69Å; N229-E232 PolarHBondContact O-N 2.7Å; N229-E232 VanDerWaalsContact O-N 3.09Å; N229-P302 WeakPolarHBondContact OD1-CG 3.43Å; N229-M349 HydrophobicContact CB-SD 3.94Å |
| 230 | S | 93.7 | Very high | 95.7 | Very high | 89 Ų | 89 | 34.4 Ų | 34.4 | 62% | 0.622 | 18% | 0.181 | S | C | * | . | G | 310 helix | trans | -61 | -24.1 | -175.8 | -55.2 | 0 | 0 | 0 | 0 | 113.8 | N228 K350 | N228-S230 VanDerWaalsContact C-N 3.33Å; N228-S230 PolarHBondContact O-N 3.13Å; N228-S230 WeakPolarHBondContact OD1-CB 3.45Å; N228-S230 PolarHBondContact OD1-N 2.85Å; N228-S230 VanDerWaalsContact OD1-N 3.1Å; S230-K350 PolarHBondContact OG-NZ 2.87Å |
| 231 | I | 95.2 | Very high | 95.8 | Very high | 85 Ų | 85 | 32.5 Ų | 32.5 | 44% | 0.436 | 17% | 0.172 | S | C | . | . | G | 310 helix | trans | -121.8 | 11.4 | 178.8 | 61.6 | 171.1 | 0 | 0 | 0 | 112.5 | N228 N229 R233 | N228-I231 HydrophobicContact CB-CD1 4.22Å; N228-I231 HydrophobicContact CB-CG1 3.84Å; N228-I231 PolarHBondContact O-N 3.2Å; N229-I231 PolarHBondContact O-N 2.69Å; I231-R233 VanDerWaalsContact C-N 3.31Å; I231-R233 HydrophobicContact CD1-CB 3.8Å; I231-R233 HydrophobicContact CG1-CB 3.71Å; I231-R233 PolarHBondContact O-N 3.24Å |
| 232 | E | 95.8 | Very high | 95.5 | Very high | 57 Ų | 57 | 37 Ų | 37 | 27% | 0.266 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.2 | 48 | -177.8 | -57.9 | -171.4 | 131.5 | 0 | 0 | 113.3 | N228 N229 K299 L300 S301 | N228-E232 PolarHBondContact O-N 3Å; N228-E232 VanDerWaalsContact O-N 3.09Å; N229-E232 PolarHBondContact O-N 2.7Å; N229-E232 VanDerWaalsContact O-N 3.09Å; E232-K299 HydrophobicContact CB-CG 4.47Å; E232-K299 CarbonylContact O-C 3.54Å; E232-K299 VanDerWaalsContact O-CA 3.3Å; E232-K299 WeakPolarHBondContact O-CA 3.46Å; E232-K299 VanDerWaalsContact OE2-CE 3.25Å; E232-K299 WeakPolarHBondContact OE2-CE 3.41Å; E232-K299 IonicContact OE2-NZ 2.77Å; E232-L300 CarbonylContact C-O 3.46Å; E232-L300 WeakPolarHBondContact CB-O 3.19Å; E232-L300 PolarHBondContact O-N 2.93Å; E232-S301 WeakPolarHBondContact OE1-CA 3.39Å; E232-S301 VanDerWaalsContact OE1-CB 3.24Å; E232-S301 WeakPolarHBondContact OE1-CB 3.42Å; E232-S301 PolarHBondContact OE1-OG 2.75Å; E232-S301 PolarHBondContact OE2-OG 3.37Å |
| 233 | R | 96.5 | Very high | 94.5 | Very high | 120 Ų | 120 | 39.4 Ų | 39.4 | 45% | 0.453 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 119.3 | -172.7 | -171.4 | -179.8 | -62.8 | 179.9 | 2.9 | 112.1 | Y227 N228 I231 N297 F298 | Y227-R233 WeakPolarHBondContact CA-O 3.34Å; Y227-R233 WeakPolarHBondContact CD2-O 3.41Å; N228-R233 PolarHBondContact N-O 3.26Å; N228-R233 PolarHBondContact O-N 3.02Å; I231-R233 VanDerWaalsContact C-N 3.31Å; I231-R233 HydrophobicContact CD1-CB 3.8Å; I231-R233 HydrophobicContact CG1-CB 3.71Å; I231-R233 PolarHBondContact O-N 3.24Å; R233-N297 WeakPolarHBondContact CD-OD1 3.32Å; R233-F298 WeakPolarHBondContact CA-O 3.47Å |
| 234 | L | 97.2 | Very high | 93.6 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 123.3 | 166.2 | 178.6 | 61.8 | 0 | 0 | 0 | 109.3 | L225 Y227 L269 F298 L300 L310 W342 M345 | L225-L234 HydrophobicContact CD2-CD1 4.49Å; Y227-L234 HydrophobicContact CD2-CB 3.97Å; Y227-L234 HydrophobicContact CD2-CD1 4.39Å; L234-L269 HydrophobicContact CD2-CD1 4.44Å; L234-F298 HydrophobicContact CB-CB 4.4Å; L234-F298 PolarHBondContact N-O 2.68Å; L234-F298 PolarHBondContact O-N 2.91Å; L234-L300 HydrophobicContact CB-CD2 4.48Å; L234-L300 HydrophobicContact CD2-CD2 3.95Å; L234-L310 HydrophobicContact CD2-CD1 3.94Å; L234-L310 HydrophobicContact CD2-CD2 4.28Å; L234-L310 HydrophobicContact CD2-CG 4.18Å; L234-L310 HydrophobicContact CG-CD1 4.43Å; L234-W342 HydrophobicContact CD2-CH2 3.74Å; L234-W342 HydrophobicContact CD2-CZ3 4.21Å; L234-M345 HydrophobicContact CD1-CE 3.96Å; L234-M345 HydrophobicContact CD1-SD 3.39Å; L234-M345 WeakPolarHBondContact CD1-SD 3.41Å |
| 235 | T | 97.7 | Very high | 92.2 | Very high | 19 Ų | 19 | 41.4 Ų | 41.4 | 12% | 0.117 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 123.3 | 177.6 | -54.4 | 0 | 0 | 0 | 0 | 109.5 | V226 F296 N297 | V226-T235 HydrophobicContact CG1-CG2 4.36Å; V226-T235 PolarHBondContact N-O 3.15Å; V226-T235 PolarHBondContact O-N 3.26Å; T235-F296 WeakPolarHBondContact CA-O 3.44Å; T235-N297 PolarHBondContact OG1-OD1 3.28Å |
| 236 | L | 97.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 119.7 | 169.2 | 171.3 | 68.3 | 0 | 0 | 0 | 108.5 | C223 S224 L225 I238 V267 S295 F296 L310 I312 L328 | C223-L236 HydrophobicContact CB-CD1 4.05Å; S224-L236 CarbonylContact O-C 3.6Å; S224-L236 WeakPolarHBondContact O-CA 3.48Å; L225-L236 HydrophobicContact CD2-CB 4.08Å; L225-L236 HydrophobicContact CD2-CD1 3.64Å; L225-L236 HydrophobicContact CD2-CG 4.45Å; L225-L236 HydrophobicContact CG-CD1 4.33Å; L236-I238 HydrophobicContact CD1-CG1 4.31Å; L236-I238 HydrophobicContact CD2-CD1 3.91Å; L236-I238 HydrophobicContact CD2-CG1 4.11Å; L236-I238 HydrophobicContact CG-CD1 4.35Å; L236-I238 HydrophobicContact CG-CG1 3.99Å; L236-V267 HydrophobicContact CD2-CG1 3.76Å; L236-V267 HydrophobicContact CD2-CG2 4.31Å; L236-S295 CarbonylContact O-C 3.53Å; L236-S295 WeakPolarHBondContact O-CA 3Å; L236-F296 PolarHBondContact N-O 3.14Å; L236-F296 PolarHBondContact O-N 2.9Å; L236-L310 HydrophobicContact CB-CD1 4Å; L236-L310 HydrophobicContact CD2-CD1 4.19Å; L236-I312 HydrophobicContact CD2-CD1 4.06Å; L236-I312 HydrophobicContact CD2-CG1 3.75Å; L236-L328 HydrophobicContact CD1-CD1 4.15Å |
| 237 | T | 97.9 | Very high | 88.2 | Confident | 38 Ų | 38 | 41.4 Ų | 41.4 | 23% | 0.233 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 129 | 170.3 | -59.3 | 0 | 0 | 0 | 0 | 109.1 | S224 E294 S295 | S224-T237 PolarHBondContact N-O 3.46Å; S224-T237 PolarHBondContact O-N 3.32Å; T237-E294 WeakPolarHBondContact CA-O 3.31Å; T237-S295 PolarHBondContact OG1-OG 2.87Å |
| 238 | I | 96.7 | Very high | 85.9 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 113.1 | 175.8 | -56.4 | 175.9 | 0 | 0 | 0 | 107 | L221 L236 L265 V267 F292 N293 E294 F296 I312 | L221-I238 HydrophobicContact CD1-CG2 3.68Å; L221-I238 HydrophobicContact CD2-CD1 4.5Å; L221-I238 HydrophobicContact CD2-CG2 4.21Å; L221-I238 HydrophobicContact CG-CG2 3.99Å; L236-I238 HydrophobicContact CD1-CG1 4.31Å; L236-I238 HydrophobicContact CD2-CD1 3.91Å; L236-I238 HydrophobicContact CD2-CG1 4.11Å; L236-I238 HydrophobicContact CG-CD1 4.35Å; L236-I238 HydrophobicContact CG-CG1 3.99Å; I238-L265 HydrophobicContact CB-CD1 3.94Å; I238-L265 HydrophobicContact CD1-CD1 3.57Å; I238-L265 HydrophobicContact CG1-CD1 4.34Å; I238-L265 HydrophobicContact CG2-CD1 3.54Å; I238-V267 HydrophobicContact CD1-CG2 3.92Å; I238-F292 HydrophobicContact CG2-CD2 4.25Å; I238-N293 WeakPolarHBondContact O-CA 3.39Å; I238-N293 PolarHBondContact O-N 3.12Å; I238-E294 PolarHBondContact N-O 3.47Å; I238-E294 PolarHBondContact O-N 3.41Å; I238-E294 VanDerWaalsContact O-N 3.09Å; I238-F296 HydrophobicContact CD1-CD2 4.33Å; I238-F296 HydrophobicContact CD1-CE2 3.97Å; I238-F296 HydrophobicContact CG1-CE2 4.36Å; I238-I312 HydrophobicContact CD1-CG1 4.22Å; I238-I312 HydrophobicContact CD1-CG2 3.82Å |
| 239 | S | 93.7 | Very high | 83.3 | Confident | 21 Ų | 21 | 46.3 Ų | 46.3 | 15% | 0.147 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | -53.2 | -176.1 | 61.9 | 0 | 0 | 0 | 0 | 111.2 | H222 I291 F292 N293 | H222-S239 WeakPolarHBondContact CB-OG 3.22Å; H222-S239 PolarHBondContact ND1-OG 3.29Å; H222-S239 PolarHBondContact O-N 2.94Å; S239-I291 CarbonylContact O-C 3.58Å; S239-I291 WeakPolarHBondContact O-CA 3.18Å; S239-F292 PolarHBondContact O-N 3.37Å; S239-N293 WeakPolarHBondContact CA-OD1 3.23Å; S239-N293 WeakPolarHBondContact CB-OD1 2.96Å; S239-N293 PolarHBondContact O-N 3.11Å; S239-N293 PolarHBondContact O-OD1 3.11Å |
| 240 | Q | 92.9 | Very high | 81.1 | Confident | 51 Ų | 51 | 47.8 Ų | 47.8 | 24% | 0.238 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.5 | 155.9 | -176.8 | 58.4 | 178.5 | 10.8 | 0 | 0 | 112.2 | H222 P290 I291 W356 | H222-Q240 HydrophobicContact CB-CG 4.41Å; H222-Q240 PolarHBondContact N-O 2.91Å; Q240-P290 CarbonylContact C-O 3.56Å; Q240-P290 WeakPolarHBondContact CA-O 3.04Å; Q240-P290 WeakPolarHBondContact CB-O 3.38Å; Q240-I291 HydrophobicContact CB-CB 4.42Å; Q240-I291 HydrophobicContact CB-CG1 4.1Å; Q240-W356 HydrophobicContact CG-CH2 3.61Å; Q240-W356 HydrophobicContact CG-CZ2 4.21Å; Q240-W356 VanDerWaalsContact NE2-CH2 3.3Å; Q240-W356 VanDerWaalsContact NE2-CZ2 3.34Å |
| 241 | A | 91.6 | Very high | 78.8 | Confident | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.008 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 156 | 162.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | E220 L221 L244 S289 P290 F292 | E220-A241 CarbonylContact O-C 3.4Å; E220-A241 VanDerWaalsContact O-CA 3.22Å; E220-A241 WeakPolarHBondContact O-CA 3.33Å; L221-A241 HydrophobicContact CD1-CB 3.62Å; A241-L244 HydrophobicContact CB-CD1 3.93Å; A241-L244 HydrophobicContact CB-CD2 3.86Å; A241-L244 HydrophobicContact CB-CG 3.86Å; A241-S289 CarbonylContact O-C 3.41Å; A241-S289 VanDerWaalsContact O-C 3.25Å; A241-S289 WeakPolarHBondContact O-CA 3.4Å; A241-S289 WeakPolarHBondContact O-CB 3.4Å; A241-P290 HydrophobicContact CB-CG 3.99Å; A241-P290 PolarHBondContact N-O 2.74Å; A241-F292 HydrophobicContact CB-CE2 4.44Å |
| 242 | R | 85.6 | Confident | 76.6 | Confident | 94 Ų | 94 | 49 Ų | 49 | 36% | 0.355 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 146.7 | 174 | -63.3 | 179.6 | -173.2 | 160 | 1.9 | 109.9 | S219 E220 L244 W356 | S219-R242 VanDerWaalsContact CA-O 3.29Å; S219-R242 WeakPolarHBondContact CA-O 3.16Å; E220-R242 PolarHBondContact N-O 3.24Å; E220-R242 VanDerWaalsContact N-O 3.15Å; E220-R242 PolarHBondContact O-N 3.39Å; R242-L244 PolarHBondContact O-N 3.4Å; R242-L244 VanDerWaalsContact O-N 3.09Å; R242-W356 HydrophobicContact CB-CZ3 4.47Å; R242-W356 HydrophobicContact CG-CH2 3.74Å; R242-W356 HydrophobicContact CG-CZ3 3.82Å |
| 243 | D | 75.6 | Confident | 74.4 | Confident | 87 Ų | 87 | 50.2 Ų | 50.2 | 47% | 0.465 | 27% | 0.273 | S | S | . | . | S | Bend | trans | 47.1 | 44.3 | 171.1 | -52.1 | -39.3 | 0 | 0 | 0 | 113.5 | S218 S219 D245 S289 | S218-D243 WeakPolarHBondContact O-CB 3.46Å; S218-D243 WeakPolarHBondContact OG-CB 3.24Å; S218-D243 PolarHBondContact OG-O 3.01Å; S219-D243 WeakPolarHBondContact CA-O 3.32Å; S219-D243 PolarHBondContact N-O 2.96Å; S219-D243 PolarHBondContact OG-O 2.69Å; D243-D245 PolarHBondContact O-N 2.98Å; D243-S289 PolarHBondContact N-OG 2.74Å |
| 244 | L | 77.4 | Confident | 72.2 | Confident | 2 Ų | 2 | 48.4 Ų | 48.4 | 1% | 0.01 | 27% | 0.274 | C | S | . | . | trans | -59.9 | 121.5 | 173.2 | -67.1 | 179.9 | 0 | 0 | 0 | 109.3 | S219 A241 R242 L246 V263 R288 P290 V314 L359 | S219-L244 VanDerWaalsContact OG-CA 3.25Å; S219-L244 WeakPolarHBondContact OG-CA 3.29Å; A241-L244 HydrophobicContact CB-CD1 3.93Å; A241-L244 HydrophobicContact CB-CD2 3.86Å; A241-L244 HydrophobicContact CB-CG 3.86Å; R242-L244 PolarHBondContact O-N 3.4Å; R242-L244 VanDerWaalsContact O-N 3.09Å; L244-L246 VanDerWaalsContact C-N 3.27Å; L244-L246 HydrophobicContact CB-CD2 3.9Å; L244-L246 HydrophobicContact CB-CG 4.07Å; L244-L246 HydrophobicContact CD1-CD2 4.36Å; L244-L246 PolarHBondContact O-N 3.21Å; L244-V263 HydrophobicContact CD1-CB 4.46Å; L244-V263 HydrophobicContact CD1-CG1 3.77Å; L244-V263 HydrophobicContact CD1-CG2 4.18Å; L244-R288 VanDerWaalsContact CB-O 3.24Å; L244-R288 WeakPolarHBondContact CB-O 3.25Å; L244-R288 VanDerWaalsContact CG-O 3.29Å; L244-R288 WeakPolarHBondContact CG-O 3.49Å; L244-R288 PolarHBondContact N-O 2.81Å; L244-P290 HydrophobicContact CD1-CG 3.67Å; L244-V314 HydrophobicContact CD1-CG1 3.98Å; L244-V314 HydrophobicContact CD2-CG1 4.15Å; L244-L359 HydrophobicContact CD2-CD1 3.46Å; L244-L359 VanDerWaalsContact CD2-CD1 3.46Å | ||
| 245 | D | 68 | Low | 69.9 | Low | 56 Ų | 56 | 54.8 Ų | 54.8 | 30% | 0.299 | 30% | 0.303 | S | S | . | . | trans | -75.9 | 85.7 | 170.7 | -168.2 | 2.8 | 0 | 0 | 0 | 109.9 | S219 D243 S247 I323 | S219-D245 PolarHBondContact OG-N 3.41Å; D243-D245 PolarHBondContact O-N 2.98Å; D245-S247 PolarHBondContact O-N 3.39Å; D245-S247 PolarHBondContact OD1-N 2.82Å; D245-S247 PolarHBondContact OD1-OG 3.24Å; D245-I323 VanDerWaalsContact O-CG2 3.23Å; D245-I323 WeakPolarHBondContact O-CG2 3.33Å | ||
| 246 | L | 58.6 | Low | 67.7 | Low | 17 Ų | 17 | 55 Ų | 55 | 9% | 0.089 | 30% | 0.302 | C | S | . | . | trans | -78.3 | 9.8 | 176.8 | -57.4 | -180 | 0 | 0 | 0 | 112.3 | L244 H256 V263 R288 I323 | L244-L246 VanDerWaalsContact C-N 3.27Å; L244-L246 HydrophobicContact CB-CD2 3.9Å; L244-L246 HydrophobicContact CB-CG 4.07Å; L244-L246 HydrophobicContact CD1-CD2 4.36Å; L244-L246 PolarHBondContact O-N 3.21Å; L246-H256 PolarHBondContact O-CD2 2.76Å; L246-H256 VanDerWaalsContact O-CD2 3.24Å; L246-H256 PolarHBondContact O-NE2 2.82Å; L246-V263 HydrophobicContact CD1-CG2 3.83Å; L246-V263 HydrophobicContact CD2-CG2 3.56Å; L246-V263 HydrophobicContact CG-CG2 4.37Å; L246-R288 HydrophobicContact CD1-CG 4.16Å; L246-R288 HydrophobicContact CG-CG 4.44Å; L246-I323 HydrophobicContact CD2-CD1 3.27Å | ||
| 247 | S | 53.3 | Low | 65.5 | Low | 11 Ų | 11 | 58.8 Ų | 58.8 | 8% | 0.077 | 32% | 0.322 | C | S | . | . | trans | -155.9 | 104.3 | -161.8 | 54.3 | 0 | 0 | 0 | 0 | 113.5 | D245 N249 R288 | D245-S247 PolarHBondContact O-N 3.39Å; D245-S247 PolarHBondContact OD1-N 2.82Å; D245-S247 PolarHBondContact OD1-OG 3.24Å; S247-N249 WeakPolarHBondContact CB-O 3.25Å; S247-N249 PolarHBondContact O-N 2.84Å; S247-R288 PolarHBondContact OG-NH2 3Å | ||
| 248 | G | 49.5 | Very low | 63.2 | Low | 86 Ų | 86 | 65.1 Ų | 65.1 | 89% | 0.887 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -62.6 | 7.7 | 166 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 249 | N | 41.9 | Very low | 61.3 | Low | 67 Ų | 67 | 66.9 Ų | 66.9 | 36% | 0.358 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -163.9 | 134.7 | 172.9 | 179.9 | -5.9 | 0 | 0 | 0 | 108.9 | S247 E251 T252 | S247-N249 WeakPolarHBondContact CB-O 3.25Å; S247-N249 PolarHBondContact O-N 2.84Å; N249-E251 PolarHBondContact O-N 3.48Å; N249-E251 PolarHBondContact OD1-N 2.69Å; N249-T252 VanDerWaalsContact O-CB 3.26Å; N249-T252 WeakPolarHBondContact O-CB 3.29Å; N249-T252 PolarHBondContact O-N 2.78Å; N249-T252 PolarHBondContact O-OG1 3.48Å; N249-T252 VanDerWaalsContact O-OG1 3.13Å |
| 250 | P | 46 | Very low | 59.9 | Low | 103 Ų | 103 | 72.4 Ų | 72.4 | 67% | 0.669 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -49.1 | -29.5 | 174.1 | 15.8 | -31.7 | 0 | 0 | 0 | 115.5 | T252 W253 | P250-T252 VanDerWaalsContact C-N 3.29Å; P250-T252 PolarHBondContact O-N 3.36Å; P250-W253 PolarHBondContact O-N 3.04Å |
| 251 | E | 45.3 | Very low | 59 | Low | 148 Ų | 148 | 70.3 Ų | 70.3 | 69% | 0.692 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -65.7 | -31.1 | 174.9 | -65 | -178 | 159.7 | 0 | 0 | 112.9 | N249 W253 V254 F255 | N249-E251 PolarHBondContact O-N 3.48Å; N249-E251 PolarHBondContact OD1-N 2.69Å; E251-W253 VanDerWaalsContact C-N 3.28Å; E251-W253 PolarHBondContact O-N 2.92Å; E251-V254 PolarHBondContact O-N 3.31Å; E251-F255 PolarHBondContact O-N 2.88Å |
| 252 | T | 50.5 | Low | 58.7 | Low | 51 Ų | 51 | 70.5 Ų | 70.5 | 31% | 0.313 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -68.9 | -27.8 | 179 | -39.4 | 0 | 0 | 0 | 0 | 111.5 | N249 P250 F255 H256 | N249-T252 VanDerWaalsContact O-CB 3.26Å; N249-T252 WeakPolarHBondContact O-CB 3.29Å; N249-T252 PolarHBondContact O-N 2.78Å; N249-T252 PolarHBondContact O-OG1 3.48Å; N249-T252 VanDerWaalsContact O-OG1 3.13Å; P250-T252 VanDerWaalsContact C-N 3.29Å; P250-T252 PolarHBondContact O-N 3.36Å; T252-F255 WeakPolarHBondContact O-CB 3.28Å; T252-F255 PolarHBondContact O-N 3.09Å; T252-H256 WeakPolarHBondContact O-CB 3.22Å; T252-H256 PolarHBondContact O-CD2 2.96Å; T252-H256 PolarHBondContact O-N 3.25Å |
| 253 | W | 49.1 | Very low | 58.8 | Low | 83 Ų | 83 | 66.2 Ų | 66.2 | 31% | 0.314 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -73 | -37.2 | 178.7 | -168 | 64.2 | 0 | 0 | 0 | 113.1 | P250 E251 F255 H256 L257 R288 | P250-W253 PolarHBondContact O-N 3.04Å; E251-W253 VanDerWaalsContact C-N 3.28Å; E251-W253 PolarHBondContact O-N 2.92Å; W253-F255 VanDerWaalsContact C-N 3.32Å; W253-H256 CarbonylContact O-C 3.58Å; W253-H256 WeakPolarHBondContact O-CA 3.49Å; W253-H256 WeakPolarHBondContact O-CB 3.36Å; W253-H256 PolarHBondContact O-N 2.76Å; W253-H256 VanDerWaalsContact O-N 3.11Å; W253-L257 HydrophobicContact CD2-CD1 3.65Å; W253-L257 VanDerWaalsContact CE2-CD1 3.49Å; W253-L257 HydrophobicContact CE3-CD1 3.72Å; W253-L257 HydrophobicContact CG-CD1 4.42Å; W253-L257 HydrophobicContact CH2-CD1 3.63Å; W253-L257 HydrophobicContact CZ2-CD1 3.52Å; W253-L257 HydrophobicContact CZ3-CD1 3.7Å; W253-L257 WeakPolarHBondContact O-CD1 3.22Å; W253-L257 PolarHBondContact O-N 2.8Å; W253-R288 VanDerWaalsContact CE2-NE 3.34Å; W253-R288 HydrophobicContact CZ2-CG 4.02Å |
| 254 | V | 49.9 | Very low | 59.7 | Low | 81 Ų | 81 | 62.8 Ų | 62.8 | 49% | 0.491 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61.6 | -46.1 | 171.9 | -179.3 | 0 | 0 | 0 | 0 | 109.1 | E251 H256 L257 F258 | E251-V254 PolarHBondContact O-N 3.31Å; V254-H256 VanDerWaalsContact C-N 3.26Å; V254-H256 PolarHBondContact O-N 2.97Å; V254-L257 PolarHBondContact O-N 3.09Å; V254-L257 VanDerWaalsContact O-N 3.14Å; V254-F258 HydrophobicContact CG1-CD2 3.99Å; V254-F258 HydrophobicContact CG1-CE2 3.64Å; V254-F258 WeakPolarHBondContact O-CD2 3.43Å; V254-F258 PolarHBondContact O-N 3.15Å |
| 255 | F | 48.6 | Very low | 60.5 | Low | 135 Ų | 135 | 62.7 Ų | 62.7 | 59% | 0.592 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -56.6 | -41.4 | 172 | -166.7 | -99.7 | 0 | 0 | 0 | 111.8 | E251 T252 W253 L257 F258 T259 | E251-F255 PolarHBondContact O-N 2.88Å; T252-F255 WeakPolarHBondContact O-CB 3.28Å; T252-F255 PolarHBondContact O-N 3.09Å; W253-F255 VanDerWaalsContact C-N 3.32Å; F255-L257 PolarHBondContact O-N 3.03Å; F255-F258 PolarHBondContact O-N 2.83Å; F255-F258 VanDerWaalsContact O-N 3.12Å; F255-T259 HydrophobicContact CD1-CG2 3.6Å; F255-T259 HydrophobicContact CE1-CG2 3.34Å; F255-T259 HydrophobicContact CG-CG2 4.34Å; F255-T259 HydrophobicContact CZ-CG2 3.9Å; F255-T259 WeakPolarHBondContact O-CG2 3.49Å; F255-T259 PolarHBondContact O-N 2.85Å; F255-T259 PolarHBondContact O-OG1 2.9Å |
| 256 | H | 50.9 | Low | 61.8 | Low | 24 Ų | 24 | 62.5 Ų | 62.5 | 11% | 0.111 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -63.5 | -34.9 | 176.5 | -80.8 | -51.8 | 0 | 0 | 0 | 114.5 | L246 T252 W253 V254 F258 T259 Q316 | L246-H256 PolarHBondContact O-CD2 2.76Å; L246-H256 VanDerWaalsContact O-CD2 3.24Å; L246-H256 PolarHBondContact O-NE2 2.82Å; T252-H256 WeakPolarHBondContact O-CB 3.22Å; T252-H256 PolarHBondContact O-CD2 2.96Å; T252-H256 PolarHBondContact O-N 3.25Å; W253-H256 CarbonylContact O-C 3.58Å; W253-H256 WeakPolarHBondContact O-CA 3.49Å; W253-H256 WeakPolarHBondContact O-CB 3.36Å; W253-H256 PolarHBondContact O-N 2.76Å; W253-H256 VanDerWaalsContact O-N 3.11Å; V254-H256 VanDerWaalsContact C-N 3.26Å; V254-H256 PolarHBondContact O-N 2.97Å; H256-F258 VanDerWaalsContact C-N 3.3Å; H256-F258 PolarHBondContact O-N 2.8Å; H256-T259 VanDerWaalsContact CA-OG1 3.32Å; H256-T259 WeakPolarHBondContact CA-OG1 3.27Å; H256-T259 PolarHBondContact O-N 3.35Å; H256-T259 VanDerWaalsContact O-O 3.13Å; H256-T259 PolarHBondContact O-OG1 3.49Å; H256-T259 VanDerWaalsContact O-OG1 3.11Å; H256-Q316 PolarHBondContact CE1-NE2 2.8Å; H256-Q316 PolarHBondContact CE1-OE1 2.9Å; H256-Q316 PolarHBondContact ND1-NE2 2.9Å; H256-Q316 PolarHBondContact NE2-NE2 2.84Å |
| 257 | L | 51.6 | Low | 63.7 | Low | 79 Ų | 79 | 61.7 Ų | 61.7 | 41% | 0.414 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -63.9 | -35.9 | 172.7 | -101.6 | 93.7 | 0 | 0 | 0 | 112.5 | W253 V254 F255 | W253-L257 HydrophobicContact CD2-CD1 3.65Å; W253-L257 VanDerWaalsContact CE2-CD1 3.49Å; W253-L257 HydrophobicContact CE3-CD1 3.72Å; W253-L257 HydrophobicContact CG-CD1 4.42Å; W253-L257 HydrophobicContact CH2-CD1 3.63Å; W253-L257 HydrophobicContact CZ2-CD1 3.52Å; W253-L257 HydrophobicContact CZ3-CD1 3.7Å; W253-L257 WeakPolarHBondContact O-CD1 3.22Å; W253-L257 PolarHBondContact O-N 2.8Å; V254-L257 PolarHBondContact O-N 3.09Å; V254-L257 VanDerWaalsContact O-N 3.14Å; F255-L257 PolarHBondContact O-N 3.03Å |
| 258 | F | 51.5 | Low | 65.7 | Low | 171 Ų | 171 | 62 Ų | 62 | 75% | 0.75 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -82.4 | -25.7 | 179.4 | -70.5 | -69.8 | 0 | 0 | 0 | 113.2 | V254 F255 H256 | V254-F258 HydrophobicContact CG1-CD2 3.99Å; V254-F258 HydrophobicContact CG1-CE2 3.64Å; V254-F258 WeakPolarHBondContact O-CD2 3.43Å; V254-F258 PolarHBondContact O-N 3.15Å; F255-F258 PolarHBondContact O-N 2.83Å; F255-F258 VanDerWaalsContact O-N 3.12Å; H256-F258 VanDerWaalsContact C-N 3.3Å; H256-F258 PolarHBondContact O-N 2.8Å |
| 259 | T | 56.6 | Low | 67.9 | Low | 36 Ų | 36 | 58 Ų | 58 | 22% | 0.221 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -80.6 | 151.5 | 174.5 | 59.8 | 0 | 0 | 0 | 0 | 112.8 | F255 H256 A261 | F255-T259 HydrophobicContact CD1-CG2 3.6Å; F255-T259 HydrophobicContact CE1-CG2 3.34Å; F255-T259 HydrophobicContact CG-CG2 4.34Å; F255-T259 HydrophobicContact CZ-CG2 3.9Å; F255-T259 WeakPolarHBondContact O-CG2 3.49Å; F255-T259 PolarHBondContact O-N 2.85Å; F255-T259 PolarHBondContact O-OG1 2.9Å; H256-T259 VanDerWaalsContact CA-OG1 3.32Å; H256-T259 WeakPolarHBondContact CA-OG1 3.27Å; H256-T259 PolarHBondContact O-N 3.35Å; H256-T259 VanDerWaalsContact O-O 3.13Å; H256-T259 PolarHBondContact O-OG1 3.49Å; H256-T259 VanDerWaalsContact O-OG1 3.11Å; T259-A261 PolarHBondContact O-N 2.7Å; T259-A261 WeakPolarHBondContact OG1-CB 3.24Å |
| 260 | F | 63.9 | Low | 70.3 | Confident | 137 Ų | 137 | 55.2 Ų | 55.2 | 60% | 0.601 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -71 | 16.8 | 170.4 | -67.1 | -84 | 0 | 0 | 0 | 113.8 | R285 | F260-R285 PolarHBondContact O-NE 3.39Š|
| 261 | A | 73.2 | Confident | 72.3 | Confident | 8 Ų | 8 | 52 Ų | 52 | 7% | 0.066 | 25% | 0.25 | C | S | . | . | trans | -68.7 | 138.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110 | T259 Q316 S317 | T259-A261 PolarHBondContact O-N 2.7Å; T259-A261 WeakPolarHBondContact OG1-CB 3.24Å; A261-Q316 HydrophobicContact CB-CG 4.45Å; A261-S317 WeakPolarHBondContact CA-O 3.23Å; A261-S317 VanDerWaalsContact CB-O 3.27Å; A261-S317 WeakPolarHBondContact CB-O 3.49Å | ||
| 262 | G | 84.7 | Confident | 74 | Confident | 5 Ų | 5 | 46.5 Ų | 46.5 | 5% | 0.052 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 167.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | I284 Q316 S317 | G262-I284 CarbonylContact C-O 3.54Å; G262-I284 VanDerWaalsContact CA-O 3.22Å; G262-I284 WeakPolarHBondContact CA-O 3.25Å; G262-Q316 CarbonylContact O-C 3.6Å; G262-S317 WeakPolarHBondContact CA-OG 3.37Å; G262-S317 PolarHBondContact N-OG 3.04Å; G262-S317 PolarHBondContact O-N 3.34Å; G262-S317 PolarHBondContact O-OG 2.81Å |
| 263 | V | 89.2 | Confident | 75.3 | Confident | 3 Ų | 3 | 51.5 Ų | 51.5 | 2% | 0.018 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 135.1 | 178.2 | -174.5 | 0 | 0 | 0 | 0 | 109.3 | L244 L246 T283 I284 P290 F292 V314 C315 | L244-V263 HydrophobicContact CD1-CB 4.46Å; L244-V263 HydrophobicContact CD1-CG1 3.77Å; L244-V263 HydrophobicContact CD1-CG2 4.18Å; L246-V263 HydrophobicContact CD1-CG2 3.83Å; L246-V263 HydrophobicContact CD2-CG2 3.56Å; L246-V263 HydrophobicContact CG-CG2 4.37Å; V263-T283 CarbonylContact O-C 3.57Å; V263-T283 WeakPolarHBondContact O-CA 3.45Å; V263-I284 PolarHBondContact N-O 2.85Å; V263-I284 PolarHBondContact O-N 3.07Å; V263-P290 HydrophobicContact CB-CG 4.44Å; V263-P290 HydrophobicContact CG1-CG 4.4Å; V263-F292 HydrophobicContact CG1-CZ 4.16Å; V263-V314 HydrophobicContact CG1-CG1 3.56Å; V263-C315 CarbonylContact C-O 3.48Å; V263-C315 VanDerWaalsContact CA-O 3.31Å; V263-C315 WeakPolarHBondContact CA-O 3.35Å |
| 264 | Y | 93.6 | Very high | 76.9 | Confident | 16 Ų | 16 | 56.3 Ų | 56.3 | 6% | 0.063 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 162 | 168.7 | 72.4 | -90.3 | 0 | 0 | 0 | 109.9 | K266 K280 C315 D320 | Y264-K266 HydrophobicContact CE2-CB 4.43Å; Y264-K280 HydrophobicContact CD2-CB 4.48Å; Y264-K280 HydrophobicContact CD2-CD 4.23Å; Y264-K280 HydrophobicContact CD2-CG 4.38Å; Y264-K280 HydrophobicContact CE2-CD 3.83Å; Y264-K280 HydrophobicContact CE2-CG 4.21Å; Y264-C315 HydrophobicContact CD1-CB 3.98Å; Y264-C315 HydrophobicContact CD2-CB 4.08Å; Y264-C315 HydrophobicContact CE1-CB 3.5Å; Y264-C315 HydrophobicContact CE2-CB 3.57Å; Y264-C315 HydrophobicContact CG-CB 4.25Å; Y264-C315 PolarHBondContact N-O 2.99Å; Y264-C315 PolarHBondContact O-N 3.11Å; Y264-C315 WeakPolarHBondContact OH-CB 3.33Å; Y264-D320 PolarHBondContact OH-OD2 2.98Å |
| 265 | L | 95.2 | Very high | 79 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 141.3 | 178.4 | -54.8 | 173.9 | 0 | 0 | 0 | 109.7 | I238 K280 S281 F292 I312 L313 V314 | I238-L265 HydrophobicContact CB-CD1 3.94Å; I238-L265 HydrophobicContact CD1-CD1 3.57Å; I238-L265 HydrophobicContact CG1-CD1 4.34Å; I238-L265 HydrophobicContact CG2-CD1 3.54Å; L265-K280 CarbonylContact O-C 3.55Å; L265-K280 WeakPolarHBondContact O-CA 3.08Å; L265-S281 PolarHBondContact N-OG 2.9Å; L265-S281 PolarHBondContact O-N 3.35Å; L265-F292 HydrophobicContact CD1-CB 4.41Å; L265-F292 HydrophobicContact CD1-CD1 3.92Å; L265-F292 HydrophobicContact CD1-CD2 3.62Å; L265-F292 HydrophobicContact CD1-CE1 4.05Å; L265-F292 HydrophobicContact CD1-CE2 3.72Å; L265-F292 HydrophobicContact CD1-CG 3.71Å; L265-F292 HydrophobicContact CD1-CZ 3.95Å; L265-F292 HydrophobicContact CD2-CE1 4.47Å; L265-F292 HydrophobicContact CD2-CE2 3.93Å; L265-F292 HydrophobicContact CD2-CZ 3.84Å; L265-F292 HydrophobicContact CG-CD1 4.1Å; L265-F292 HydrophobicContact CG-CD2 4.22Å; L265-F292 HydrophobicContact CG-CE1 3.74Å; L265-F292 HydrophobicContact CG-CE2 3.83Å; L265-F292 HydrophobicContact CG-CG 4.33Å; L265-F292 HydrophobicContact CG-CZ 3.59Å; L265-I312 HydrophobicContact CD2-CG2 4.44Å; L265-L313 CarbonylContact C-O 3.58Å; L265-L313 WeakPolarHBondContact CA-O 3.29Å; L265-V314 HydrophobicContact CD2-CB 4.41Å; L265-V314 HydrophobicContact CD2-CG2 3.84Å |
| 266 | K | 95.8 | Very high | 81.1 | Confident | 51 Ų | 51 | 56.6 Ų | 56.6 | 22% | 0.222 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 111 | 165.9 | -172.6 | -173.1 | -175.5 | -151.3 | 0 | 108.2 | Y264 E268 S278 R279 K280 L313 | Y264-K266 HydrophobicContact CE2-CB 4.43Å; K266-E268 WeakPolarHBondContact CE-OE1 3.31Å; K266-E268 HydrophobicContact CG-CG 4.38Å; K266-E268 IonicContact NZ-OE1 3.88Å; K266-E268 PolarHBondContact NZ-OE1 2.95Å; K266-S278 WeakPolarHBondContact CE-OG 3.21Å; K266-R279 CarbonylContact C-O 3.52Å; K266-R279 WeakPolarHBondContact CA-O 3.46Å; K266-K280 HydrophobicContact CB-CG 4.48Å; K266-K280 HydrophobicContact CG-CG 4.29Å; K266-L313 HydrophobicContact CB-CB 4.24Å; K266-L313 HydrophobicContact CD-CD1 4.27Å; K266-L313 PolarHBondContact N-O 3.5Å; K266-L313 PolarHBondContact O-N 3.06Å |
| 267 | V | 97.1 | Very high | 83.2 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 124.6 | 180 | -176.2 | 0 | 0 | 0 | 0 | 109.1 | L236 I238 S278 R279 F296 F298 I311 I312 | L236-V267 HydrophobicContact CD2-CG1 3.76Å; L236-V267 HydrophobicContact CD2-CG2 4.31Å; I238-V267 HydrophobicContact CD1-CG2 3.92Å; V267-S278 CarbonylContact O-C 3.56Å; V267-S278 VanDerWaalsContact O-CA 3.29Å; V267-S278 WeakPolarHBondContact O-CA 3.42Å; V267-R279 PolarHBondContact N-O 2.92Å; V267-R279 PolarHBondContact O-N 3.23Å; V267-F296 HydrophobicContact CB-CD1 4.27Å; V267-F296 HydrophobicContact CB-CD2 4.38Å; V267-F296 HydrophobicContact CB-CG 4.18Å; V267-F296 HydrophobicContact CG1-CB 4.47Å; V267-F296 HydrophobicContact CG1-CG 4.4Å; V267-F296 HydrophobicContact CG2-CD1 4.21Å; V267-F296 HydrophobicContact CG2-CD2 3.7Å; V267-F296 HydrophobicContact CG2-CE1 4.16Å; V267-F296 HydrophobicContact CG2-CE2 3.66Å; V267-F296 HydrophobicContact CG2-CG 3.98Å; V267-F296 HydrophobicContact CG2-CZ 3.89Å; V267-F298 HydrophobicContact CB-CZ 4.48Å; V267-F298 HydrophobicContact CG1-CE2 3.96Å; V267-F298 HydrophobicContact CG1-CZ 3.75Å; V267-I311 CarbonylContact C-O 3.41Å; V267-I311 WeakPolarHBondContact CA-O 3.45Å; V267-I312 HydrophobicContact CG2-CG1 4.41Å; V267-I312 HydrophobicContact CG2-CG2 4.41Å |
| 268 | E | 95.8 | Very high | 85.3 | Confident | 17 Ų | 17 | 56.8 Ų | 56.8 | 8% | 0.079 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 127.3 | 179.9 | -50.2 | -166.7 | 151 | 0 | 0 | 110.3 | K266 R275 K277 L310 I311 | K266-E268 WeakPolarHBondContact CE-OE1 3.31Å; K266-E268 HydrophobicContact CG-CG 4.38Å; K266-E268 IonicContact NZ-OE1 3.88Å; K266-E268 PolarHBondContact NZ-OE1 2.95Å; E268-R275 HydrophobicContact CB-CG 4.32Å; E268-R275 IonicContact OE1-CZ 2.93Å; E268-R275 IonicContact OE1-NH1 3.65Å; E268-R275 PolarHBondContact OE1-NH1 3.34Å; E268-R275 WeakPolarHBondContact OE2-CD 3.33Å; E268-R275 IonicContact OE2-NH1 3.97Å; E268-K277 CarbonylContact C-O 3.59Å; E268-K277 WeakPolarHBondContact CA-O 3.4Å; E268-L310 CarbonylContact O-C 3.53Å; E268-L310 WeakPolarHBondContact O-CA 3.44Å; E268-I311 HydrophobicContact CB-CB 4.32Å; E268-I311 PolarHBondContact N-O 3.24Å; E268-I311 PolarHBondContact O-N 2.86Å |
| 269 | L | 96.6 | Very high | 87.5 | Confident | 3 Ų | 3 | 54.1 Ų | 54.1 | 2% | 0.016 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 127.3 | 166.4 | 176.1 | 73 | 0 | 0 | 0 | 109 | L234 I276 K277 F298 L300 A308 L310 | L234-L269 HydrophobicContact CD2-CD1 4.44Å; L269-I276 HydrophobicContact CD2-CB 4.45Å; L269-I276 PolarHBondContact O-N 2.83Å; L269-K277 HydrophobicContact CB-CB 4.42Å; L269-K277 PolarHBondContact N-O 3.47Å; L269-K277 PolarHBondContact O-N 2.69Å; L269-F298 HydrophobicContact CB-CD1 3.65Å; L269-F298 HydrophobicContact CB-CE1 3.81Å; L269-F298 HydrophobicContact CB-CG 4.22Å; L269-F298 HydrophobicContact CB-CZ 4.47Å; L269-F298 HydrophobicContact CD2-CB 3.98Å; L269-F298 HydrophobicContact CD2-CD1 4Å; L269-F298 HydrophobicContact CD2-CG 4.2Å; L269-F298 HydrophobicContact CG-CD1 4.41Å; L269-L300 HydrophobicContact CD1-CD2 4.44Å; L269-A308 HydrophobicContact CD1-CB 4.37Å; L269-L310 HydrophobicContact CB-CD2 4.16Å; L269-L310 HydrophobicContact CD1-CD2 3.82Å |
| 270 | C | 91.1 | Very high | 89.4 | Confident | 8 Ų | 8 | 58 Ų | 58 | 5% | 0.054 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 147.8 | 177.4 | -65.6 | 0 | 0 | 0 | 0 | 110.9 | R274 A308 S309 | C270-R274 CarbonylContact C-O 3.51Å; C270-R274 VanDerWaalsContact CA-O 3.3Å; C270-R274 WeakPolarHBondContact CA-O 3.46Å; C270-A308 WeakPolarHBondContact O-CA 3.15Å; C270-S309 PolarHBondContact N-O 2.96Å; C270-S309 PolarHBondContact O-N 2.81Å |
| 271 | L | 88.7 | Confident | 90.9 | Very high | 36 Ų | 36 | 52 Ų | 52 | 19% | 0.188 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 111.4 | 166.4 | -69.4 | 175.5 | 0 | 0 | 0 | 107.8 | T273 R274 I276 L300 K304 Q307 A308 | L271-T273 PolarHBondContact O-N 2.82Å; L271-R274 PolarHBondContact N-O 2.98Å; L271-R274 PolarHBondContact O-N 2.92Å; L271-I276 HydrophobicContact CB-CD1 4.27Å; L271-I276 HydrophobicContact CB-CG1 4.07Å; L271-I276 HydrophobicContact CD1-CD1 4.03Å; L271-I276 HydrophobicContact CD1-CG1 3.84Å; L271-I276 HydrophobicContact CG-CD1 4.29Å; L271-I276 HydrophobicContact CG-CG1 3.76Å; L271-L300 HydrophobicContact CD2-CD1 3.94Å; L271-K304 HydrophobicContact CD1-CD 3.95Å; L271-K304 HydrophobicContact CD2-CB 3.96Å; L271-Q307 WeakPolarHBondContact CA-O 3.47Å; L271-A308 HydrophobicContact CD2-CB 3.83Å |
| 272 | G | 80.2 | Confident | 91.8 | Very high | 33 Ų | 33 | 57 Ų | 57 | 34% | 0.34 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.9 | -124 | -166.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q307 | G272-Q307 PolarHBondContact N-O 2.76Š|
| 273 | T | 77.9 | Confident | 92.2 | Very high | 156 Ų | 156 | 59.9 Ų | 59.9 | 96% | 0.957 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | -8.3 | 177.2 | 59.6 | 0 | 0 | 0 | 0 | 113.5 | L271 | L271-T273 PolarHBondContact O-N 2.82Š|
| 274 | R | 83.9 | Confident | 92.2 | Very high | 184 Ų | 184 | 61.7 Ų | 61.7 | 69% | 0.694 | 30% | 0.303 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 120.2 | -173.2 | -174.1 | -178.3 | 175.5 | -178 | 0.5 | 111.3 | C270 L271 I276 | C270-R274 CarbonylContact C-O 3.51Å; C270-R274 VanDerWaalsContact CA-O 3.3Å; C270-R274 WeakPolarHBondContact CA-O 3.46Å; L271-R274 PolarHBondContact N-O 2.98Å; L271-R274 PolarHBondContact O-N 2.92Å; R274-I276 HydrophobicContact CG-CD1 4.06Å; R274-I276 PolarHBondContact O-N 2.83Å |
| 275 | R | 92 | Very high | 91.8 | Very high | 142 Ų | 142 | 67 Ų | 67 | 54% | 0.536 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 122.2 | 168.2 | -173.9 | 173.9 | 67.5 | -159.2 | -8 | 110.9 | E268 | E268-R275 HydrophobicContact CB-CG 4.32Å; E268-R275 IonicContact OE1-CZ 2.93Å; E268-R275 IonicContact OE1-NH1 3.65Å; E268-R275 PolarHBondContact OE1-NH1 3.34Å; E268-R275 WeakPolarHBondContact OE2-CD 3.33Å; E268-R275 IonicContact OE2-NH1 3.97Å |
| 276 | I | 93.5 | Very high | 90.7 | Very high | 80 Ų | 80 | 75.9 Ų | 75.9 | 41% | 0.41 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | -45.1 | -178.8 | -56.7 | -56.1 | 0 | 0 | 0 | 111.3 | L269 L271 R274 | L269-I276 HydrophobicContact CD2-CB 4.45Å; L269-I276 PolarHBondContact O-N 2.83Å; L271-I276 HydrophobicContact CB-CD1 4.27Å; L271-I276 HydrophobicContact CB-CG1 4.07Å; L271-I276 HydrophobicContact CD1-CD1 4.03Å; L271-I276 HydrophobicContact CD1-CG1 3.84Å; L271-I276 HydrophobicContact CG-CD1 4.29Å; L271-I276 HydrophobicContact CG-CG1 3.76Å; R274-I276 HydrophobicContact CG-CD1 4.06Å; R274-I276 PolarHBondContact O-N 2.83Å |
| 277 | K | 95.6 | Very high | 89.7 | Confident | 70 Ų | 70 | 75.5 Ų | 75.5 | 30% | 0.304 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 142 | -172.9 | -157 | 175 | -167.6 | -172.6 | 0 | 110.3 | E268 L269 F298 | E268-K277 CarbonylContact C-O 3.59Å; E268-K277 WeakPolarHBondContact CA-O 3.4Å; L269-K277 HydrophobicContact CB-CB 4.42Å; L269-K277 PolarHBondContact N-O 3.47Å; L269-K277 PolarHBondContact O-N 2.69Å; K277-F298 HydrophobicContact CB-CD1 4.09Å; K277-F298 HydrophobicContact CB-CE1 4.08Å; K277-F298 HydrophobicContact CD-CD1 3.84Å; K277-F298 HydrophobicContact CD-CE1 4.2Å; K277-F298 HydrophobicContact CG-CD1 4.33Å; K277-F298 HydrophobicContact CG-CE1 4.28Å |
| 278 | S | 96.3 | Very high | 88.7 | Confident | 37 Ų | 37 | 79.2 Ų | 79.2 | 26% | 0.259 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 146.2 | 174.2 | -175.4 | 0 | 0 | 0 | 0 | 110.4 | K266 V267 | K266-S278 WeakPolarHBondContact CE-OG 3.21Å; V267-S278 CarbonylContact O-C 3.56Å; V267-S278 VanDerWaalsContact O-CA 3.29Å; V267-S278 WeakPolarHBondContact O-CA 3.42Å |
| 279 | R | 96.9 | Very high | 88 | Confident | 115 Ų | 115 | 80.5 Ų | 80.5 | 43% | 0.434 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 147.2 | 177 | -67.5 | -64.7 | -176.6 | -101.1 | 19.5 | 109.1 | K266 V267 F296 F298 | K266-R279 CarbonylContact C-O 3.52Å; K266-R279 WeakPolarHBondContact CA-O 3.46Å; V267-R279 PolarHBondContact N-O 2.92Å; V267-R279 PolarHBondContact O-N 3.23Å; R279-F296 HydrophobicContact CB-CD1 3.54Å; R279-F296 HydrophobicContact CB-CE1 3.9Å; R279-F296 HydrophobicContact CG-CD1 4.28Å; R279-F298 HydrophobicContact CG-CE1 4.49Å |
| 280 | K | 95.8 | Very high | 87.6 | Confident | 117 Ų | 117 | 80.4 Ų | 80.4 | 51% | 0.509 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 147.6 | 173 | -69.2 | -172.3 | 176 | -166.6 | 0 | 109.4 | Y264 L265 K266 D320 | Y264-K280 HydrophobicContact CD2-CB 4.48Å; Y264-K280 HydrophobicContact CD2-CD 4.23Å; Y264-K280 HydrophobicContact CD2-CG 4.38Å; Y264-K280 HydrophobicContact CE2-CD 3.83Å; Y264-K280 HydrophobicContact CE2-CG 4.21Å; L265-K280 CarbonylContact O-C 3.55Å; L265-K280 WeakPolarHBondContact O-CA 3.08Å; K266-K280 HydrophobicContact CB-CG 4.48Å; K266-K280 HydrophobicContact CG-CG 4.29Å; K280-D320 IonicContact NZ-OD2 2.68Å |
| 281 | S | 95 | Very high | 87.7 | Confident | 12 Ų | 12 | 84.7 Ų | 84.7 | 8% | 0.084 | 40% | 0.404 | C | S | . | . | trans | -80.5 | 174.5 | 168.6 | 74.4 | 0 | 0 | 0 | 0 | 111.6 | L265 E294 | L265-S281 PolarHBondContact N-OG 2.9Å; L265-S281 PolarHBondContact O-N 3.35Å; S281-E294 WeakPolarHBondContact CA-OE2 3.45Å; S281-E294 WeakPolarHBondContact CB-OE2 3.38Å | ||
| 282 | N | 93.7 | Very high | 87.9 | Confident | 112 Ų | 112 | 83.7 Ų | 83.7 | 60% | 0.599 | 40% | 0.398 | S | S | * | . | P | Polyproline II helix | trans | -62.4 | 152.7 | 159.8 | -60.1 | -61.4 | 0 | 0 | 0 | 110.7 | E294 | N282-E294 WeakPolarHBondContact CB-OE1 3.32Å; N282-E294 PolarHBondContact N-OE1 2.93Å; N282-E294 PolarHBondContact N-OE2 2.95Å; N282-E294 PolarHBondContact ND2-OE1 3.33Å |
| 283 | T | 92.3 | Very high | 88.6 | Confident | 66 Ų | 66 | 87.4 Ų | 87.4 | 41% | 0.405 | 41% | 0.411 | S | S | . | . | P | Polyproline II helix | trans | -90 | 122.1 | 176.2 | -56.1 | 0 | 0 | 0 | 0 | 110 | V263 S317 | V263-T283 CarbonylContact O-C 3.57Å; V263-T283 WeakPolarHBondContact O-CA 3.45Å; T283-S317 WeakPolarHBondContact CG2-OG 3.44Å |
| 284 | I | 88.7 | Confident | 89.5 | Confident | 40 Ų | 40 | 81.6 Ų | 81.6 | 21% | 0.205 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 127.4 | 177 | -59.6 | 175.4 | 0 | 0 | 0 | 108.6 | G262 V263 T287 P290 I291 F292 | G262-I284 CarbonylContact C-O 3.54Å; G262-I284 VanDerWaalsContact CA-O 3.22Å; G262-I284 WeakPolarHBondContact CA-O 3.25Å; V263-I284 PolarHBondContact N-O 2.85Å; V263-I284 PolarHBondContact O-N 3.07Å; I284-T287 HydrophobicContact CG2-CG2 3.64Å; I284-P290 HydrophobicContact CB-CB 3.95Å; I284-P290 HydrophobicContact CD1-CB 3.88Å; I284-P290 HydrophobicContact CG2-CB 3.88Å; I284-I291 VanDerWaalsContact CD1-C 3.43Å; I284-I291 WeakPolarHBondContact CD1-O 3.49Å; I284-F292 HydrophobicContact CD1-CB 4.48Å; I284-F292 HydrophobicContact CD1-CD1 3.56Å; I284-F292 HydrophobicContact CD1-CE1 3.82Å; I284-F292 HydrophobicContact CD1-CG 3.98Å; I284-F292 HydrophobicContact CD1-CZ 4.46Å; I284-F292 HydrophobicContact CG1-CD1 4.26Å; I284-F292 HydrophobicContact CG1-CE1 4.22Å |
| 285 | R | 84.8 | Confident | 90.1 | Very high | 128 Ų | 128 | 76 Ų | 76 | 48% | 0.483 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 160.8 | -176.1 | -61.7 | -177.7 | -178.1 | 158.2 | 5.5 | 111.5 | F260 T287 | F260-R285 PolarHBondContact O-NE 3.39Å; R285-T287 VanDerWaalsContact C-N 3.34Å; R285-T287 PolarHBondContact O-N 2.8Å |
| 286 | R | 72.1 | Confident | 90.4 | Very high | 186 Ų | 186 | 69.7 Ų | 69.7 | 70% | 0.702 | 34% | 0.338 | S | S | * | . | S | Bend | trans | 58.6 | 36.8 | 165.9 | -56.6 | 176.5 | 179.9 | 161.1 | -1.8 | 114.8 | ||
| 287 | T | 75.7 | Confident | 90.5 | Very high | 43 Ų | 43 | 69.5 Ų | 69.5 | 26% | 0.264 | 34% | 0.337 | S | S | . | . | trans | -152.7 | 145.2 | 174 | -178.8 | 0 | 0 | 0 | 0 | 111.3 | I284 R285 S289 P290 | I284-T287 HydrophobicContact CG2-CG2 3.64Å; R285-T287 VanDerWaalsContact C-N 3.34Å; R285-T287 PolarHBondContact O-N 2.8Å; T287-S289 PolarHBondContact OG1-N 2.8Å; T287-S289 PolarHBondContact OG1-O 2.9Å; T287-P290 HydrophobicContact CG2-CB 3.87Å | ||
| 288 | R | 75.5 | Confident | 90.6 | Very high | 78 Ų | 78 | 66.2 Ų | 66.2 | 29% | 0.294 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -87.8 | -12.6 | 167.3 | -70.3 | -177.7 | 166.8 | 166.4 | -7.5 | 112.7 | L244 L246 S247 W253 P290 | L244-R288 VanDerWaalsContact CB-O 3.24Å; L244-R288 WeakPolarHBondContact CB-O 3.25Å; L244-R288 VanDerWaalsContact CG-O 3.29Å; L244-R288 WeakPolarHBondContact CG-O 3.49Å; L244-R288 PolarHBondContact N-O 2.81Å; L246-R288 HydrophobicContact CD1-CG 4.16Å; L246-R288 HydrophobicContact CG-CG 4.44Å; S247-R288 PolarHBondContact OG-NH2 3Å; W253-R288 VanDerWaalsContact CE2-NE 3.34Å; W253-R288 HydrophobicContact CZ2-CG 4.02Å; R288-P290 VanDerWaalsContact O-CD 3.32Å; R288-P290 WeakPolarHBondContact O-CD 3.45Å |
| 289 | S | 81.9 | Confident | 90.6 | Very high | 45 Ų | 45 | 72.1 Ų | 72.1 | 32% | 0.315 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -124 | 66.1 | -179.2 | -55.4 | 0 | 0 | 0 | 0 | 109.7 | A241 D243 T287 | A241-S289 CarbonylContact O-C 3.41Å; A241-S289 VanDerWaalsContact O-C 3.25Å; A241-S289 WeakPolarHBondContact O-CA 3.4Å; A241-S289 WeakPolarHBondContact O-CB 3.4Å; D243-S289 PolarHBondContact N-OG 2.74Å; T287-S289 PolarHBondContact OG1-N 2.8Å; T287-S289 PolarHBondContact OG1-O 2.9Å |
| 290 | P | 88.8 | Confident | 90.5 | Very high | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 33% | 0.325 | C | S | . | . | trans | -66.6 | 137 | -177.9 | 27.2 | -35.1 | 0 | 0 | 0 | 111.9 | Q240 A241 L244 V263 I284 T287 R288 F292 | Q240-P290 CarbonylContact C-O 3.56Å; Q240-P290 WeakPolarHBondContact CA-O 3.04Å; Q240-P290 WeakPolarHBondContact CB-O 3.38Å; A241-P290 HydrophobicContact CB-CG 3.99Å; A241-P290 PolarHBondContact N-O 2.74Å; L244-P290 HydrophobicContact CD1-CG 3.67Å; V263-P290 HydrophobicContact CB-CG 4.44Å; V263-P290 HydrophobicContact CG1-CG 4.4Å; I284-P290 HydrophobicContact CB-CB 3.95Å; I284-P290 HydrophobicContact CD1-CB 3.88Å; I284-P290 HydrophobicContact CG2-CB 3.88Å; T287-P290 HydrophobicContact CG2-CB 3.87Å; R288-P290 VanDerWaalsContact O-CD 3.32Å; R288-P290 WeakPolarHBondContact O-CD 3.45Å; P290-F292 HydrophobicContact CB-CD2 4.44Å; P290-F292 HydrophobicContact CB-CE1 4.45Å; P290-F292 HydrophobicContact CB-CE2 3.81Å; P290-F292 HydrophobicContact CB-CZ 3.8Å; P290-F292 HydrophobicContact CG-CD2 4.48Å; P290-F292 HydrophobicContact CG-CE2 3.53Å; P290-F292 HydrophobicContact CG-CZ 3.68Å | ||
| 291 | I | 92.4 | Very high | 90.4 | Very high | 99 Ų | 99 | 62.7 Ų | 62.7 | 51% | 0.508 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 104.7 | 172.7 | -57.2 | 174.8 | 0 | 0 | 0 | 108.2 | S239 Q240 I284 N293 | S239-I291 CarbonylContact O-C 3.58Å; S239-I291 WeakPolarHBondContact O-CA 3.18Å; Q240-I291 HydrophobicContact CB-CB 4.42Å; Q240-I291 HydrophobicContact CB-CG1 4.1Å; I284-I291 VanDerWaalsContact CD1-C 3.43Å; I284-I291 WeakPolarHBondContact CD1-O 3.49Å; I291-N293 VanDerWaalsContact CG2-ND2 3.32Å; I291-N293 WeakPolarHBondContact CG2-ND2 3.23Å |
| 292 | F | 93.7 | Very high | 90.3 | Very high | 14 Ų | 14 | 64 Ų | 64 | 6% | 0.061 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | -52.4 | -179.4 | -63.3 | -80.7 | 0 | 0 | 0 | 112.2 | I238 S239 A241 V263 L265 I284 P290 E294 | I238-F292 HydrophobicContact CG2-CD2 4.25Å; S239-F292 PolarHBondContact O-N 3.37Å; A241-F292 HydrophobicContact CB-CE2 4.44Å; V263-F292 HydrophobicContact CG1-CZ 4.16Å; L265-F292 HydrophobicContact CD1-CB 4.41Å; L265-F292 HydrophobicContact CD1-CD1 3.92Å; L265-F292 HydrophobicContact CD1-CD2 3.62Å; L265-F292 HydrophobicContact CD1-CE1 4.05Å; L265-F292 HydrophobicContact CD1-CE2 3.72Å; L265-F292 HydrophobicContact CD1-CG 3.71Å; L265-F292 HydrophobicContact CD1-CZ 3.95Å; L265-F292 HydrophobicContact CD2-CE1 4.47Å; L265-F292 HydrophobicContact CD2-CE2 3.93Å; L265-F292 HydrophobicContact CD2-CZ 3.84Å; L265-F292 HydrophobicContact CG-CD1 4.1Å; L265-F292 HydrophobicContact CG-CD2 4.22Å; L265-F292 HydrophobicContact CG-CE1 3.74Å; L265-F292 HydrophobicContact CG-CE2 3.83Å; L265-F292 HydrophobicContact CG-CG 4.33Å; L265-F292 HydrophobicContact CG-CZ 3.59Å; I284-F292 HydrophobicContact CD1-CB 4.48Å; I284-F292 HydrophobicContact CD1-CD1 3.56Å; I284-F292 HydrophobicContact CD1-CE1 3.82Å; I284-F292 HydrophobicContact CD1-CG 3.98Å; I284-F292 HydrophobicContact CD1-CZ 4.46Å; I284-F292 HydrophobicContact CG1-CD1 4.26Å; I284-F292 HydrophobicContact CG1-CE1 4.22Å; P290-F292 HydrophobicContact CB-CD2 4.44Å; P290-F292 HydrophobicContact CB-CE1 4.45Å; P290-F292 HydrophobicContact CB-CE2 3.81Å; P290-F292 HydrophobicContact CB-CZ 3.8Å; P290-F292 HydrophobicContact CG-CD2 4.48Å; P290-F292 HydrophobicContact CG-CE2 3.53Å; P290-F292 HydrophobicContact CG-CZ 3.68Å; F292-E294 PolarHBondContact O-N 2.68Å |
| 293 | N | 94.4 | Very high | 90.2 | Very high | 112 Ų | 112 | 65.5 Ų | 65.5 | 60% | 0.599 | 33% | 0.326 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 48.7 | 41.3 | -170.9 | -65.9 | -28.2 | 0 | 0 | 0 | 113.3 | I238 S239 I291 | I238-N293 WeakPolarHBondContact O-CA 3.39Å; I238-N293 PolarHBondContact O-N 3.12Å; S239-N293 WeakPolarHBondContact CA-OD1 3.23Å; S239-N293 WeakPolarHBondContact CB-OD1 2.96Å; S239-N293 PolarHBondContact O-N 3.11Å; S239-N293 PolarHBondContact O-OD1 3.11Å; I291-N293 VanDerWaalsContact CG2-ND2 3.32Å; I291-N293 WeakPolarHBondContact CG2-ND2 3.23Å |
| 294 | E | 96.4 | Very high | 90.2 | Very high | 34 Ų | 34 | 67.1 Ų | 67.1 | 16% | 0.159 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 138.7 | -177.1 | -72.6 | -173.4 | -138.2 | 0 | 0 | 112.2 | T237 I238 S281 N282 F292 F296 | T237-E294 WeakPolarHBondContact CA-O 3.31Å; I238-E294 PolarHBondContact N-O 3.47Å; I238-E294 PolarHBondContact O-N 3.41Å; I238-E294 VanDerWaalsContact O-N 3.09Å; S281-E294 WeakPolarHBondContact CA-OE2 3.45Å; S281-E294 WeakPolarHBondContact CB-OE2 3.38Å; N282-E294 WeakPolarHBondContact CB-OE1 3.32Å; N282-E294 PolarHBondContact N-OE1 2.93Å; N282-E294 PolarHBondContact N-OE2 2.95Å; N282-E294 PolarHBondContact ND2-OE1 3.33Å; F292-E294 PolarHBondContact O-N 2.68Å; E294-F296 HydrophobicContact CB-CE2 4.25Å; E294-F296 HydrophobicContact CB-CZ 4.29Å |
| 295 | S | 97 | Very high | 90.2 | Very high | 65 Ų | 65 | 65.6 Ų | 65.6 | 46% | 0.455 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 125.9 | 179.1 | -58.9 | 0 | 0 | 0 | 0 | 112.2 | L236 T237 | L236-S295 CarbonylContact O-C 3.53Å; L236-S295 WeakPolarHBondContact O-CA 3Å; T237-S295 PolarHBondContact OG1-OG 2.87Å |
| 296 | F | 97.6 | Very high | 90.3 | Very high | 11 Ų | 11 | 64.4 Ų | 64.4 | 5% | 0.048 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 117.8 | 176.9 | -57.3 | -82.4 | 0 | 0 | 0 | 110.1 | T235 L236 I238 V267 R279 E294 F298 | T235-F296 WeakPolarHBondContact CA-O 3.44Å; L236-F296 PolarHBondContact N-O 3.14Å; L236-F296 PolarHBondContact O-N 2.9Å; I238-F296 HydrophobicContact CD1-CD2 4.33Å; I238-F296 HydrophobicContact CD1-CE2 3.97Å; I238-F296 HydrophobicContact CG1-CE2 4.36Å; V267-F296 HydrophobicContact CB-CD1 4.27Å; V267-F296 HydrophobicContact CB-CD2 4.38Å; V267-F296 HydrophobicContact CB-CG 4.18Å; V267-F296 HydrophobicContact CG1-CB 4.47Å; V267-F296 HydrophobicContact CG1-CG 4.4Å; V267-F296 HydrophobicContact CG2-CD1 4.21Å; V267-F296 HydrophobicContact CG2-CD2 3.7Å; V267-F296 HydrophobicContact CG2-CE1 4.16Å; V267-F296 HydrophobicContact CG2-CE2 3.66Å; V267-F296 HydrophobicContact CG2-CG 3.98Å; V267-F296 HydrophobicContact CG2-CZ 3.89Å; R279-F296 HydrophobicContact CB-CD1 3.54Å; R279-F296 HydrophobicContact CB-CE1 3.9Å; R279-F296 HydrophobicContact CG-CD1 4.28Å; E294-F296 HydrophobicContact CB-CE2 4.25Å; E294-F296 HydrophobicContact CB-CZ 4.29Å; F296-F298 HydrophobicContact CB-CD2 4.49Å; F296-F298 HydrophobicContact CB-CE2 3.6Å; F296-F298 HydrophobicContact CB-CZ 4.03Å |
| 297 | N | 96.9 | Very high | 91.1 | Very high | 75 Ų | 75 | 60.7 Ų | 60.7 | 40% | 0.401 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 127.1 | -177.1 | -66.5 | -92.2 | 0 | 0 | 0 | 110.8 | R233 T235 | R233-N297 WeakPolarHBondContact CD-OD1 3.32Å; T235-N297 PolarHBondContact OG1-OD1 3.28Å |
| 298 | F | 96.8 | Very high | 91.9 | Very high | 2 Ų | 2 | 58.7 Ų | 58.7 | 1% | 0.009 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 134.1 | -179.9 | -60.3 | -82.6 | 0 | 0 | 0 | 110.7 | R233 L234 V267 L269 K277 R279 F296 L310 | R233-F298 WeakPolarHBondContact CA-O 3.47Å; L234-F298 HydrophobicContact CB-CB 4.4Å; L234-F298 PolarHBondContact N-O 2.68Å; L234-F298 PolarHBondContact O-N 2.91Å; V267-F298 HydrophobicContact CB-CZ 4.48Å; V267-F298 HydrophobicContact CG1-CE2 3.96Å; V267-F298 HydrophobicContact CG1-CZ 3.75Å; L269-F298 HydrophobicContact CB-CD1 3.65Å; L269-F298 HydrophobicContact CB-CE1 3.81Å; L269-F298 HydrophobicContact CB-CG 4.22Å; L269-F298 HydrophobicContact CB-CZ 4.47Å; L269-F298 HydrophobicContact CD2-CB 3.98Å; L269-F298 HydrophobicContact CD2-CD1 4Å; L269-F298 HydrophobicContact CD2-CG 4.2Å; L269-F298 HydrophobicContact CG-CD1 4.41Å; K277-F298 HydrophobicContact CB-CD1 4.09Å; K277-F298 HydrophobicContact CB-CE1 4.08Å; K277-F298 HydrophobicContact CD-CD1 3.84Å; K277-F298 HydrophobicContact CD-CE1 4.2Å; K277-F298 HydrophobicContact CG-CD1 4.33Å; K277-F298 HydrophobicContact CG-CE1 4.28Å; R279-F298 HydrophobicContact CG-CE1 4.49Å; F296-F298 HydrophobicContact CB-CD2 4.49Å; F296-F298 HydrophobicContact CB-CE2 3.6Å; F296-F298 HydrophobicContact CB-CZ 4.03Å; F298-L310 HydrophobicContact CD2-CD2 3.98Å; F298-L310 HydrophobicContact CE2-CD2 3.79Å; F298-L310 HydrophobicContact CZ-CD2 4.33Å |
| 299 | K | 95.9 | Very high | 92.6 | Very high | 160 Ų | 160 | 55.1 Ų | 55.1 | 70% | 0.696 | 29% | 0.289 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 122.1 | 168.8 | -172.9 | 176.3 | -178.2 | 178.8 | 0 | 108.1 | E232 | E232-K299 HydrophobicContact CB-CG 4.47Å; E232-K299 CarbonylContact O-C 3.54Å; E232-K299 VanDerWaalsContact O-CA 3.3Å; E232-K299 WeakPolarHBondContact O-CA 3.46Å; E232-K299 VanDerWaalsContact OE2-CE 3.25Å; E232-K299 WeakPolarHBondContact OE2-CE 3.41Å; E232-K299 IonicContact OE2-NZ 2.77Å |
| 300 | L | 94.9 | Very high | 93.3 | Very high | 6 Ų | 6 | 53 Ų | 53 | 3% | 0.031 | 27% | 0.274 | C | S | . | . | trans | -150.6 | 119.4 | -176 | -179.5 | 63.7 | 0 | 0 | 0 | 108.7 | Y227 E232 L234 L269 L271 K304 L305 A308 | Y227-L300 WeakPolarHBondContact CE2-O 3.42Å; Y227-L300 PolarHBondContact OH-O 3.04Å; E232-L300 CarbonylContact C-O 3.46Å; E232-L300 WeakPolarHBondContact CB-O 3.19Å; E232-L300 PolarHBondContact O-N 2.93Å; L234-L300 HydrophobicContact CB-CD2 4.48Å; L234-L300 HydrophobicContact CD2-CD2 3.95Å; L269-L300 HydrophobicContact CD1-CD2 4.44Å; L271-L300 HydrophobicContact CD2-CD1 3.94Å; L300-K304 HydrophobicContact CD1-CB 3.62Å; L300-K304 HydrophobicContact CD1-CD 4.47Å; L300-K304 HydrophobicContact CG-CB 4.48Å; L300-L305 HydrophobicContact CD2-CD2 3.68Å; L300-L305 HydrophobicContact CD2-CG 4.43Å; L300-L305 HydrophobicContact CG-CD2 4.41Å; L300-A308 HydrophobicContact CD1-CB 4.36Å; L300-A308 HydrophobicContact CD2-CB 3.67Å | ||
| 301 | S | 94.2 | Very high | 93.5 | Very high | 28 Ų | 28 | 54.9 Ų | 54.9 | 20% | 0.196 | 28% | 0.284 | C | S | . | . | trans | -70.2 | 151.4 | 176.5 | -56.8 | 0 | 0 | 0 | 0 | 111.5 | E232 D303 K304 | E232-S301 WeakPolarHBondContact OE1-CA 3.39Å; E232-S301 VanDerWaalsContact OE1-CB 3.24Å; E232-S301 WeakPolarHBondContact OE1-CB 3.42Å; E232-S301 PolarHBondContact OE1-OG 2.75Å; E232-S301 PolarHBondContact OE2-OG 3.37Å; S301-D303 VanDerWaalsContact C-N 3.3Å; S301-D303 PolarHBondContact O-N 3.28Å; S301-K304 PolarHBondContact O-N 3Å; S301-K304 VanDerWaalsContact O-N 3.07Å | ||
| 302 | P | 92 | Very high | 93.7 | Very high | 40 Ų | 40 | 50.2 Ų | 50.2 | 26% | 0.26 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -56.4 | -41.2 | -176.7 | -25.6 | 35.6 | 0 | 0 | 0 | 113.5 | Y227 N229 K304 L305 | Y227-P302 WeakPolarHBondContact OH-CD 3.35Å; Y227-P302 WeakPolarHBondContact OH-CG 3.47Å; N229-P302 WeakPolarHBondContact OD1-CG 3.43Å; P302-K304 PolarHBondContact O-N 2.73Å; P302-L305 WeakPolarHBondContact O-CB 3.36Å; P302-L305 PolarHBondContact O-N 3.26Å |
| 303 | D | 92 | Very high | 93.7 | Very high | 143 Ų | 143 | 50.8 Ų | 50.8 | 77% | 0.765 | 26% | 0.263 | S | S | * | . | G | 310 helix | trans | -63 | -12.7 | -178.1 | -46.2 | -44.3 | 0 | 0 | 0 | 113.5 | S301 | S301-D303 VanDerWaalsContact C-N 3.3Å; S301-D303 PolarHBondContact O-N 3.28Å |
| 304 | K | 92.2 | Very high | 93.5 | Very high | 100 Ų | 100 | 45.5 Ų | 45.5 | 44% | 0.435 | 24% | 0.235 | S | C | . | . | G | 310 helix | trans | -103.6 | -5.9 | -178.6 | -63.7 | 178.8 | 179.9 | 172.7 | 0 | 113 | L271 L300 S301 P302 D306 Q307 A308 | L271-K304 HydrophobicContact CD1-CD 3.95Å; L271-K304 HydrophobicContact CD2-CB 3.96Å; L300-K304 HydrophobicContact CD1-CB 3.62Å; L300-K304 HydrophobicContact CD1-CD 4.47Å; L300-K304 HydrophobicContact CG-CB 4.48Å; S301-K304 PolarHBondContact O-N 3Å; S301-K304 VanDerWaalsContact O-N 3.07Å; P302-K304 PolarHBondContact O-N 2.73Å; K304-D306 VanDerWaalsContact C-N 3.35Å; K304-D306 PolarHBondContact O-N 2.89Å; K304-Q307 PolarHBondContact O-N 2.81Å; K304-A308 WeakPolarHBondContact O-CB 3.19Å; K304-A308 PolarHBondContact O-N 2.95Å; K304-A308 VanDerWaalsContact O-N 3.11Å |
| 305 | L | 90.2 | Very high | 93.2 | Very high | 8 Ų | 8 | 44.1 Ų | 44.1 | 4% | 0.042 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -60.3 | -41.8 | -176.2 | -78.4 | 168 | 0 | 0 | 0 | 112.6 | Y227 L300 P302 Q307 A308 W342 M345 M346 | Y227-L305 HydrophobicContact CD1-CD1 3.93Å; Y227-L305 HydrophobicContact CD2-CD2 4Å; Y227-L305 HydrophobicContact CE1-CD1 3.67Å; Y227-L305 HydrophobicContact CE2-CD1 4.38Å; Y227-L305 HydrophobicContact CE2-CD2 4.03Å; Y227-L305 HydrophobicContact CE2-CG 4.49Å; Y227-L305 HydrophobicContact CG-CD1 4.39Å; Y227-L305 HydrophobicContact CG-CD2 4.32Å; L300-L305 HydrophobicContact CD2-CD2 3.68Å; L300-L305 HydrophobicContact CD2-CG 4.43Å; L300-L305 HydrophobicContact CG-CD2 4.41Å; P302-L305 WeakPolarHBondContact O-CB 3.36Å; P302-L305 PolarHBondContact O-N 3.26Å; L305-Q307 PolarHBondContact O-N 3.09Å; L305-A308 PolarHBondContact O-N 3.03Å; L305-A308 VanDerWaalsContact O-N 3.12Å; L305-W342 HydrophobicContact CD2-CZ2 4.29Å; L305-M345 HydrophobicContact CD2-CE 4.46Å; L305-M346 HydrophobicContact CB-SD 4.1Å |
| 306 | D | 86.8 | Confident | 92.6 | Very high | 104 Ų | 104 | 41.8 Ų | 41.8 | 56% | 0.556 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66 | -28.7 | -179.5 | -69.1 | -31 | 0 | 0 | 0 | 113.1 | K304 | K304-D306 VanDerWaalsContact C-N 3.35Å; K304-D306 PolarHBondContact O-N 2.89Å |
| 307 | Q | 88 | Confident | 92.1 | Very high | 108 Ų | 108 | 41.9 Ų | 41.9 | 51% | 0.505 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | -1.2 | 178.9 | -60.5 | 178 | 38.6 | 0 | 0 | 112.5 | L271 G272 K304 L305 F333 | L271-Q307 WeakPolarHBondContact CA-O 3.47Å; G272-Q307 PolarHBondContact N-O 2.76Å; K304-Q307 PolarHBondContact O-N 2.81Å; L305-Q307 PolarHBondContact O-N 3.09Å; Q307-F333 VanDerWaalsContact C-CE2 3.45Å; Q307-F333 VanDerWaalsContact O-CE2 3.31Å; Q307-F333 WeakPolarHBondContact O-CE2 3.39Å; Q307-F333 VanDerWaalsContact O-CZ 3.23Å; Q307-F333 WeakPolarHBondContact O-CZ 3.48Å |
| 308 | A | 91.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 145.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | L269 C270 L271 L300 K304 L305 G329 G330 F333 W342 | L269-A308 HydrophobicContact CD1-CB 4.37Å; C270-A308 WeakPolarHBondContact O-CA 3.15Å; L271-A308 HydrophobicContact CD2-CB 3.83Å; L300-A308 HydrophobicContact CD1-CB 4.36Å; L300-A308 HydrophobicContact CD2-CB 3.67Å; K304-A308 WeakPolarHBondContact O-CB 3.19Å; K304-A308 PolarHBondContact O-N 2.95Å; K304-A308 VanDerWaalsContact O-N 3.11Å; L305-A308 PolarHBondContact O-N 3.03Å; L305-A308 VanDerWaalsContact O-N 3.12Å; A308-G329 WeakPolarHBondContact O-CA 3.43Å; A308-G330 PolarHBondContact O-N 2.94Å; A308-F333 WeakPolarHBondContact O-CD2 3.34Å; A308-W342 HydrophobicContact CB-CH2 4.29Å; A308-W342 HydrophobicContact CB-CZ2 4.1Å |
| 309 | S | 91.6 | Very high | 90.3 | Very high | 4 Ų | 4 | 49.2 Ų | 49.2 | 3% | 0.028 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 147.5 | 166.2 | 51.8 | 0 | 0 | 0 | 0 | 111.1 | C270 L328 | C270-S309 PolarHBondContact N-O 2.96Å; C270-S309 PolarHBondContact O-N 2.81Å; S309-L328 CarbonylContact C-O 3.45Å; S309-L328 VanDerWaalsContact CA-O 3.25Å; S309-L328 WeakPolarHBondContact CA-O 3.37Å; S309-L328 WeakPolarHBondContact CB-O 3.37Å |
| 310 | L | 96.2 | Very high | 89.6 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 120.3 | 168 | -66.5 | 173.1 | 0 | 0 | 0 | 108 | L225 L234 L236 E268 L269 F298 I312 I327 L328 W342 | L225-L310 HydrophobicContact CD2-CD1 3.83Å; L234-L310 HydrophobicContact CD2-CD1 3.94Å; L234-L310 HydrophobicContact CD2-CD2 4.28Å; L234-L310 HydrophobicContact CD2-CG 4.18Å; L234-L310 HydrophobicContact CG-CD1 4.43Å; L236-L310 HydrophobicContact CB-CD1 4Å; L236-L310 HydrophobicContact CD2-CD1 4.19Å; E268-L310 CarbonylContact O-C 3.53Å; E268-L310 WeakPolarHBondContact O-CA 3.44Å; L269-L310 HydrophobicContact CB-CD2 4.16Å; L269-L310 HydrophobicContact CD1-CD2 3.82Å; F298-L310 HydrophobicContact CD2-CD2 3.98Å; F298-L310 HydrophobicContact CE2-CD2 3.79Å; F298-L310 HydrophobicContact CZ-CD2 4.33Å; L310-I312 HydrophobicContact CB-CD1 4.19Å; L310-I327 WeakPolarHBondContact O-CA 3.3Å; L310-L328 HydrophobicContact CB-CB 4.4Å; L310-L328 PolarHBondContact N-O 2.89Å; L310-L328 PolarHBondContact O-N 3.31Å; L310-W342 HydrophobicContact CD1-CZ3 4.1Å; L310-W342 HydrophobicContact CG-CZ3 4.25Å |
| 311 | I | 93.4 | Very high | 89.2 | Confident | 40 Ų | 40 | 52.7 Ų | 52.7 | 21% | 0.205 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 115.3 | 172.6 | -54.6 | 176.5 | 0 | 0 | 0 | 107.3 | V267 E268 L313 I327 | V267-I311 CarbonylContact C-O 3.41Å; V267-I311 WeakPolarHBondContact CA-O 3.45Å; E268-I311 HydrophobicContact CB-CB 4.32Å; E268-I311 PolarHBondContact N-O 3.24Å; E268-I311 PolarHBondContact O-N 2.86Å; I311-L313 HydrophobicContact CG2-CD2 3.82Å; I311-L313 HydrophobicContact CG2-CG 4.13Å; I311-I327 HydrophobicContact CG1-CG1 4.43Å |
| 312 | I | 95.9 | Very high | 88.8 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 115.7 | 176.5 | -55.8 | 85.9 | 0 | 0 | 0 | 107.5 | L221 L236 I238 L265 V267 L310 R325 L326 L328 | L221-I312 HydrophobicContact CD2-CG2 3.75Å; L236-I312 HydrophobicContact CD2-CD1 4.06Å; L236-I312 HydrophobicContact CD2-CG1 3.75Å; I238-I312 HydrophobicContact CD1-CG1 4.22Å; I238-I312 HydrophobicContact CD1-CG2 3.82Å; L265-I312 HydrophobicContact CD2-CG2 4.44Å; V267-I312 HydrophobicContact CG2-CG1 4.41Å; V267-I312 HydrophobicContact CG2-CG2 4.41Å; L310-I312 HydrophobicContact CB-CD1 4.19Å; I312-R325 CarbonylContact O-C 3.47Å; I312-R325 VanDerWaalsContact O-CA 3.25Å; I312-R325 WeakPolarHBondContact O-CA 3.32Å; I312-L326 HydrophobicContact CB-CB 4.3Å; I312-L326 HydrophobicContact CD1-CB 4.45Å; I312-L326 HydrophobicContact CD1-CD2 4.34Å; I312-L326 HydrophobicContact CD1-CG 4.29Å; I312-L326 PolarHBondContact N-O 3.17Å; I312-L326 PolarHBondContact O-N 3.41Å; I312-L328 HydrophobicContact CD1-CD1 4.23Å; I312-L328 HydrophobicContact CD1-CG 4.18Å |
| 313 | L | 92.8 | Very high | 88.3 | Confident | 27 Ų | 27 | 54 Ų | 54 | 14% | 0.141 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 126.6 | 175.3 | -54.5 | 173.6 | 0 | 0 | 0 | 109.3 | L265 K266 I311 V322 R325 | L265-L313 CarbonylContact C-O 3.58Å; L265-L313 WeakPolarHBondContact CA-O 3.29Å; K266-L313 HydrophobicContact CB-CB 4.24Å; K266-L313 HydrophobicContact CD-CD1 4.27Å; K266-L313 PolarHBondContact N-O 3.5Å; K266-L313 PolarHBondContact O-N 3.06Å; I311-L313 HydrophobicContact CG2-CD2 3.82Å; I311-L313 HydrophobicContact CG2-CG 4.13Å; L313-V322 HydrophobicContact CB-CG1 4.44Å; L313-V322 HydrophobicContact CD1-CG2 4.45Å; L313-V322 HydrophobicContact CD2-CG1 4.26Å; L313-R325 HydrophobicContact CD2-CB 3.74Å |
| 314 | V | 91 | Very high | 87.9 | Confident | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.006 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 116.8 | 169.7 | -175.8 | 0 | 0 | 0 | 0 | 107.4 | L244 V263 L265 I323 A324 L359 | L244-V314 HydrophobicContact CD1-CG1 3.98Å; L244-V314 HydrophobicContact CD2-CG1 4.15Å; V263-V314 HydrophobicContact CG1-CG1 3.56Å; L265-V314 HydrophobicContact CD2-CB 4.41Å; L265-V314 HydrophobicContact CD2-CG2 3.84Å; V314-I323 PolarHBondContact O-N 3.31Å; V314-A324 HydrophobicContact CB-CB 4.15Å; V314-A324 HydrophobicContact CG2-CB 4.36Å; V314-A324 PolarHBondContact N-O 2.8Å; V314-A324 PolarHBondContact O-N 3.28Å; V314-L359 HydrophobicContact CG2-CD1 3.85Å; V314-L359 HydrophobicContact CG2-CD2 4.1Å |
| 315 | C | 90.1 | Very high | 87.8 | Confident | 4 Ų | 4 | 48.1 Ų | 48.1 | 3% | 0.027 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 138.3 | -175.8 | -60.4 | 0 | 0 | 0 | 0 | 111.2 | V263 Y264 K321 | V263-C315 CarbonylContact C-O 3.48Å; V263-C315 VanDerWaalsContact CA-O 3.31Å; V263-C315 WeakPolarHBondContact CA-O 3.35Å; Y264-C315 HydrophobicContact CD1-CB 3.98Å; Y264-C315 HydrophobicContact CD2-CB 4.08Å; Y264-C315 HydrophobicContact CE1-CB 3.5Å; Y264-C315 HydrophobicContact CE2-CB 3.57Å; Y264-C315 HydrophobicContact CG-CB 4.25Å; Y264-C315 PolarHBondContact N-O 2.99Å; Y264-C315 PolarHBondContact O-N 3.11Å; Y264-C315 WeakPolarHBondContact OH-CB 3.33Å; C315-K321 CarbonylContact C-O 3.54Å; C315-K321 VanDerWaalsContact CA-O 3.24Å; C315-K321 WeakPolarHBondContact CA-O 3.39Å |
| 316 | Q | 85.3 | Confident | 87.9 | Confident | 17 Ų | 17 | 48.1 Ų | 48.1 | 8% | 0.079 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 139.6 | 160.3 | -163.1 | 159.3 | 55.6 | 0 | 0 | 108.5 | H256 A261 G262 P319 D320 K321 I323 | H256-Q316 PolarHBondContact CE1-NE2 2.8Å; H256-Q316 PolarHBondContact CE1-OE1 2.9Å; H256-Q316 PolarHBondContact ND1-NE2 2.9Å; H256-Q316 PolarHBondContact NE2-NE2 2.84Å; A261-Q316 HydrophobicContact CB-CG 4.45Å; G262-Q316 CarbonylContact O-C 3.6Å; Q316-P319 CarbonylContact C-O 3.56Å; Q316-D320 VanDerWaalsContact O-CA 3.23Å; Q316-D320 WeakPolarHBondContact O-CA 3.42Å; Q316-K321 HydrophobicContact CB-CB 4.46Å; Q316-K321 PolarHBondContact N-O 3.34Å; Q316-K321 PolarHBondContact O-N 2.83Å; Q316-I323 HydrophobicContact CB-CD1 3.62Å; Q316-I323 HydrophobicContact CB-CG1 3.92Å; Q316-I323 HydrophobicContact CG-CD1 4.41Å |
| 317 | S | 85.8 | Confident | 88.2 | Confident | 12 Ų | 12 | 46 Ų | 46 | 8% | 0.084 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | 144.7 | 168 | 55.8 | 0 | 0 | 0 | 0 | 110.1 | A261 G262 T283 P319 | A261-S317 WeakPolarHBondContact CA-O 3.23Å; A261-S317 VanDerWaalsContact CB-O 3.27Å; A261-S317 WeakPolarHBondContact CB-O 3.49Å; G262-S317 WeakPolarHBondContact CA-OG 3.37Å; G262-S317 PolarHBondContact N-OG 3.04Å; G262-S317 PolarHBondContact O-N 3.34Å; G262-S317 PolarHBondContact O-OG 2.81Å; T283-S317 WeakPolarHBondContact CG2-OG 3.44Å; S317-P319 CarbonylContact C-O 3.55Å |
| 318 | K | 79.9 | Confident | 88.4 | Confident | 140 Ų | 140 | 40.8 Ų | 40.8 | 61% | 0.609 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.3 | 71.8 | 174.7 | -56 | -178.4 | 178.2 | -174.5 | 0 | 113.9 | ||
| 319 | P | 76.1 | Confident | 88.3 | Confident | 92 Ų | 92 | 40.8 Ų | 40.8 | 60% | 0.597 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -83.1 | 155 | 4 | 32.8 | -34.5 | 0 | 0 | 0 | 112.7 | Q316 S317 K321 | Q316-P319 CarbonylContact C-O 3.56Å; S317-P319 CarbonylContact C-O 3.55Å; P319-K321 PolarHBondContact O-N 2.83Å |
| 320 | D | 82 | Confident | 87.9 | Confident | 107 Ų | 107 | 40.7 Ų | 40.7 | 57% | 0.572 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | 102.4 | 172.6 | -83.6 | 16.1 | 0 | 0 | 0 | 109.1 | Y264 K280 Q316 | Y264-D320 PolarHBondContact OH-OD2 2.98Å; K280-D320 IonicContact NZ-OD2 2.68Å; Q316-D320 VanDerWaalsContact O-CA 3.23Å; Q316-D320 WeakPolarHBondContact O-CA 3.42Å |
| 321 | K | 85 | Confident | 86.9 | Confident | 131 Ų | 131 | 45.1 Ų | 45.1 | 57% | 0.57 | 23% | 0.231 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 132.9 | -178.2 | -175.7 | -175.1 | 174 | -170.4 | 0 | 109.7 | C315 Q316 P319 I323 | C315-K321 CarbonylContact C-O 3.54Å; C315-K321 VanDerWaalsContact CA-O 3.24Å; C315-K321 WeakPolarHBondContact CA-O 3.39Å; Q316-K321 HydrophobicContact CB-CB 4.46Å; Q316-K321 PolarHBondContact N-O 3.34Å; Q316-K321 PolarHBondContact O-N 2.83Å; P319-K321 PolarHBondContact O-N 2.83Å; K321-I323 PolarHBondContact O-N 3.12Å |
| 322 | V | 86.2 | Confident | 86.1 | Confident | 68 Ų | 68 | 49.8 Ų | 49.8 | 41% | 0.412 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 125.5 | 169 | -179.5 | 0 | 0 | 0 | 0 | 108.1 | L313 | L313-V322 HydrophobicContact CB-CG1 4.44Å; L313-V322 HydrophobicContact CD1-CG2 4.45Å; L313-V322 HydrophobicContact CD2-CG1 4.26Å |
| 323 | I | 81.9 | Confident | 85.3 | Confident | 28 Ų | 28 | 52.6 Ų | 52.6 | 14% | 0.144 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | -39.9 | 179.7 | -47.9 | 174.9 | 0 | 0 | 0 | 109.7 | D245 L246 V314 Q316 K321 | D245-I323 VanDerWaalsContact O-CG2 3.23Å; D245-I323 WeakPolarHBondContact O-CG2 3.33Å; L246-I323 HydrophobicContact CD2-CD1 3.27Å; V314-I323 PolarHBondContact O-N 3.31Å; Q316-I323 HydrophobicContact CB-CD1 3.62Å; Q316-I323 HydrophobicContact CB-CG1 3.92Å; Q316-I323 HydrophobicContact CG-CD1 4.41Å; K321-I323 PolarHBondContact O-N 3.12Å |
| 324 | A | 84.7 | Confident | 84.6 | Confident | 7 Ų | 7 | 51.7 Ų | 51.7 | 6% | 0.058 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 166 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | V314 L359 T360 | V314-A324 HydrophobicContact CB-CB 4.15Å; V314-A324 HydrophobicContact CG2-CB 4.36Å; V314-A324 PolarHBondContact N-O 2.8Å; V314-A324 PolarHBondContact O-N 3.28Å; A324-L359 HydrophobicContact CB-CB 3.73Å; A324-L359 HydrophobicContact CB-CD1 4.16Å; A324-L359 HydrophobicContact CB-CG 4.39Å; A324-T360 CarbonylContact C-O 3.59Å; A324-T360 WeakPolarHBondContact CA-O 3.41Å |
| 325 | R | 89.6 | Confident | 84.2 | Confident | 113 Ų | 113 | 58.8 Ų | 58.8 | 43% | 0.426 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 148.6 | -179.9 | 71.3 | -179.4 | -175.7 | -121.5 | 2.9 | 112 | I312 L313 T360 E361 | I312-R325 CarbonylContact O-C 3.47Å; I312-R325 VanDerWaalsContact O-CA 3.25Å; I312-R325 WeakPolarHBondContact O-CA 3.32Å; L313-R325 HydrophobicContact CD2-CB 3.74Å; R325-T360 WeakPolarHBondContact CG-O 2.9Å; R325-T360 WeakPolarHBondContact CG-OG1 3.25Å; R325-T360 PolarHBondContact N-O 3.05Å; R325-T360 PolarHBondContact NE-OG1 3.06Å; R325-T360 PolarHBondContact O-N 3.41Å; R325-T360 PolarHBondContact O-OG1 3.09Å; R325-E361 PolarHBondContact NH1-O 3.06Å |
| 326 | L | 92.6 | Very high | 84.2 | Confident | 7 Ų | 7 | 65.3 Ų | 65.3 | 4% | 0.037 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 140.1 | 167.4 | 173.1 | 64.8 | 0 | 0 | 0 | 109 | L221 I312 L328 P338 H357 L359 | L221-L326 HydrophobicContact CD2-CD2 4.22Å; I312-L326 HydrophobicContact CB-CB 4.3Å; I312-L326 HydrophobicContact CD1-CB 4.45Å; I312-L326 HydrophobicContact CD1-CD2 4.34Å; I312-L326 HydrophobicContact CD1-CG 4.29Å; I312-L326 PolarHBondContact N-O 3.17Å; I312-L326 PolarHBondContact O-N 3.41Å; L326-L328 HydrophobicContact CD1-CD2 4.25Å; L326-L328 HydrophobicContact CD2-CD2 4.23Å; L326-L328 HydrophobicContact CD2-CG 4.31Å; L326-L328 HydrophobicContact CG-CD2 4.24Å; L326-L328 HydrophobicContact CG-CG 4.32Å; L326-P338 HydrophobicContact CD1-CG 4.39Å; L326-H357 HydrophobicContact CD1-CB 3.58Å; L326-H357 HydrophobicContact CD2-CB 3.74Å; L326-H357 HydrophobicContact CG-CB 4.31Å; L326-L359 HydrophobicContact CB-CD2 3.89Å |
| 327 | I | 92 | Very high | 84.4 | Confident | 59 Ų | 59 | 69.5 Ų | 69.5 | 30% | 0.303 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 125.1 | 174.4 | -54.8 | 177.6 | 0 | 0 | 0 | 108.2 | L310 I311 F333 T334 P338 | L310-I327 WeakPolarHBondContact O-CA 3.3Å; I311-I327 HydrophobicContact CG1-CG1 4.43Å; I327-F333 HydrophobicContact CG2-CB 4.39Å; I327-T334 HydrophobicContact CB-CG2 4.46Å; I327-T334 HydrophobicContact CG2-CG2 3.97Å; I327-T334 WeakPolarHBondContact O-CG2 3.41Å; I327-P338 WeakPolarHBondContact O-CB 3.4Å |
| 328 | L | 92.9 | Very high | 84.6 | Confident | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 144 | 169.2 | -56.2 | 177.2 | 0 | 0 | 0 | 107.9 | C223 L225 L236 S309 L310 I312 L326 P338 W342 | C223-L328 HydrophobicContact CB-CD1 4.14Å; L225-L328 HydrophobicContact CD1-CD1 3.94Å; L225-L328 HydrophobicContact CD2-CD1 4.3Å; L225-L328 HydrophobicContact CG-CD1 4.21Å; L236-L328 HydrophobicContact CD1-CD1 4.15Å; S309-L328 CarbonylContact C-O 3.45Å; S309-L328 VanDerWaalsContact CA-O 3.25Å; S309-L328 WeakPolarHBondContact CA-O 3.37Å; S309-L328 WeakPolarHBondContact CB-O 3.37Å; L310-L328 HydrophobicContact CB-CB 4.4Å; L310-L328 PolarHBondContact N-O 2.89Å; L310-L328 PolarHBondContact O-N 3.31Å; I312-L328 HydrophobicContact CD1-CD1 4.23Å; I312-L328 HydrophobicContact CD1-CG 4.18Å; L326-L328 HydrophobicContact CD1-CD2 4.25Å; L326-L328 HydrophobicContact CD2-CD2 4.23Å; L326-L328 HydrophobicContact CD2-CG 4.31Å; L326-L328 HydrophobicContact CG-CD2 4.24Å; L326-L328 HydrophobicContact CG-CG 4.32Å; L328-P338 HydrophobicContact CD2-CB 3.94Å; L328-W342 HydrophobicContact CB-CE3 4.26Å |
| 329 | G | 90.3 | Very high | 85.1 | Confident | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 164.9 | 178.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | A308 T334 W342 | A308-G329 WeakPolarHBondContact O-CA 3.43Å; G329-T334 PolarHBondContact O-OG1 2.83Å; G329-W342 VanDerWaalsContact C-CD2 3.5Å; G329-W342 VanDerWaalsContact CA-CD2 3.43Å; G329-W342 WeakPolarHBondContact O-CB 3.37Å |
| 330 | G | 81.3 | Confident | 85.9 | Confident | 2 Ų | 2 | 65.4 Ų | 65.4 | 2% | 0.021 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -64.7 | 175.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | A308 M332 F333 T334 | A308-G330 PolarHBondContact O-N 2.94Å; G330-M332 PolarHBondContact O-N 3.11Å; G330-F333 PolarHBondContact O-N 3.22Å; G330-T334 PolarHBondContact O-N 3.41Å; G330-T334 PolarHBondContact O-OG1 2.83Å |
| 331 | V | 77.2 | Confident | 86.5 | Confident | 92 Ų | 92 | 60.4 Ų | 60.4 | 56% | 0.558 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -18.3 | -175.4 | 71.9 | 0 | 0 | 0 | 0 | 114.3 | R335 L339 | V331-R335 PolarHBondContact O-NH1 3.29Å; V331-L339 HydrophobicContact CB-CD1 4.13Å; V331-L339 HydrophobicContact CG2-CD2 4.18Å |
| 332 | M | 76 | Confident | 87 | Confident | 138 Ų | 138 | 54.1 Ų | 54.1 | 68% | 0.68 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -26.1 | 174.6 | -67.2 | -166.9 | 178.4 | 0 | 0 | 113.6 | G330 | G330-M332 PolarHBondContact O-N 3.11Š|
| 333 | F | 77.9 | Confident | 87.4 | Confident | 60 Ų | 60 | 55.4 Ų | 55.4 | 26% | 0.263 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.3 | -22.6 | -167.8 | -50 | -75.5 | 0 | 0 | 0 | 114.4 | Q307 A308 I327 G330 | Q307-F333 VanDerWaalsContact C-CE2 3.45Å; Q307-F333 VanDerWaalsContact O-CE2 3.31Å; Q307-F333 WeakPolarHBondContact O-CE2 3.39Å; Q307-F333 VanDerWaalsContact O-CZ 3.23Å; Q307-F333 WeakPolarHBondContact O-CZ 3.48Å; A308-F333 WeakPolarHBondContact O-CD2 3.34Å; I327-F333 HydrophobicContact CG2-CB 4.39Å; G330-F333 PolarHBondContact O-N 3.22Å |
| 334 | T | 79.1 | Confident | 88 | Confident | 8 Ų | 8 | 56.7 Ų | 56.7 | 5% | 0.049 | 27% | 0.272 | C | S | . | . | trans | -135.6 | 162 | -168.9 | 62.4 | 0 | 0 | 0 | 0 | 112.2 | I327 G329 G330 P338 L339 | I327-T334 HydrophobicContact CB-CG2 4.46Å; I327-T334 HydrophobicContact CG2-CG2 3.97Å; I327-T334 WeakPolarHBondContact O-CG2 3.41Å; G329-T334 PolarHBondContact O-OG1 2.83Å; G330-T334 PolarHBondContact O-N 3.41Å; G330-T334 PolarHBondContact O-OG1 2.83Å; T334-P338 HydrophobicContact CG2-CB 4.1Å; T334-L339 WeakPolarHBondContact OG1-CA 3.4Å; T334-L339 WeakPolarHBondContact OG1-CB 3.49Å | ||
| 335 | R | 82.6 | Confident | 88.6 | Confident | 149 Ų | 149 | 56.3 Ų | 56.3 | 56% | 0.562 | 27% | 0.269 | S | S | * | . | trans | -136.4 | 167.2 | 174.9 | -60.2 | -66.7 | -179.9 | -88.4 | 4.2 | 108.8 | V331 P338 | V331-R335 PolarHBondContact O-NH1 3.29Å; R335-P338 WeakPolarHBondContact O-CD 3.39Å | ||
| 336 | N | 89.3 | Confident | 88.7 | Confident | 142 Ų | 142 | 53.1 Ų | 53.1 | 76% | 0.759 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | 55 | -137.5 | 171.8 | -51.1 | -32.3 | 0 | 0 | 0 | 112.9 | L339 Q340 | N336-L339 WeakPolarHBondContact O-CB 3.45Å; N336-L339 PolarHBondContact O-N 2.76Å; N336-Q340 PolarHBondContact O-N 2.74Å |
| 337 | K | 90.3 | Very high | 88.8 | Confident | 105 Ų | 105 | 56.5 Ų | 56.5 | 46% | 0.457 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -52.2 | -49.2 | -176.6 | -75.7 | -173.7 | 177.4 | -171.2 | 0 | 114.3 | L339 Q340 Q341 | K337-L339 VanDerWaalsContact C-N 3.29Å; K337-L339 PolarHBondContact O-N 2.73Å; K337-Q340 PolarHBondContact O-N 2.81Å; K337-Q341 PolarHBondContact O-N 2.83Å |
| 338 | P | 89.4 | Confident | 88.9 | Confident | 28 Ų | 28 | 57.5 Ų | 57.5 | 18% | 0.182 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -55.6 | -38.7 | 174.3 | -32.6 | 36.9 | 0 | 0 | 0 | 115.1 | L326 I327 L328 T334 R335 W342 | L326-P338 HydrophobicContact CD1-CG 4.39Å; I327-P338 WeakPolarHBondContact O-CB 3.4Å; L328-P338 HydrophobicContact CD2-CB 3.94Å; T334-P338 HydrophobicContact CG2-CB 4.1Å; R335-P338 WeakPolarHBondContact O-CD 3.39Å; P338-W342 PolarHBondContact O-N 2.87Å |
| 339 | L | 90.8 | Very high | 88.5 | Confident | 22 Ų | 22 | 61.5 Ų | 61.5 | 12% | 0.115 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -71.3 | -43.9 | 177.1 | 176.8 | 59.4 | 0 | 0 | 0 | 111 | V331 T334 N336 K337 Q341 W342 Q343 | V331-L339 HydrophobicContact CB-CD1 4.13Å; V331-L339 HydrophobicContact CG2-CD2 4.18Å; T334-L339 WeakPolarHBondContact OG1-CA 3.4Å; T334-L339 WeakPolarHBondContact OG1-CB 3.49Å; N336-L339 WeakPolarHBondContact O-CB 3.45Å; N336-L339 PolarHBondContact O-N 2.76Å; K337-L339 VanDerWaalsContact C-N 3.29Å; K337-L339 PolarHBondContact O-N 2.73Å; L339-Q341 PolarHBondContact O-N 3.39Å; L339-W342 WeakPolarHBondContact O-CB 3.48Å; L339-W342 PolarHBondContact O-N 3.45Å; L339-W342 VanDerWaalsContact O-N 3.17Å; L339-Q343 HydrophobicContact CD1-CG 4.16Å; L339-Q343 HydrophobicContact CG-CG 4.4Å; L339-Q343 WeakPolarHBondContact O-CG 3.47Å; L339-Q343 PolarHBondContact O-N 3.04Å |
| 340 | Q | 93.4 | Very high | 88.7 | Confident | 108 Ų | 108 | 67.2 Ų | 67.2 | 51% | 0.505 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -59 | -48.5 | 178.8 | -175.1 | 178.9 | -5.9 | 0 | 0 | 111 | N336 K337 W342 Q343 D344 | N336-Q340 PolarHBondContact O-N 2.74Å; K337-Q340 PolarHBondContact O-N 2.81Å; Q340-W342 PolarHBondContact O-N 3.12Å; Q340-Q343 PolarHBondContact O-N 2.94Å; Q340-Q343 VanDerWaalsContact O-N 3.11Å; Q340-D344 WeakPolarHBondContact O-CB 3.38Å; Q340-D344 VanDerWaalsContact O-CG 3.24Å; Q340-D344 PolarHBondContact O-N 3.03Å |
| 341 | Q | 95.2 | Very high | 89.3 | Confident | 1 Ų | 1 | 70.4 Ų | 70.4 | 1% | 0.005 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -58.4 | -38.8 | 177 | -166.2 | -170.6 | 15.8 | 0 | 0 | 112.1 | C223 L225 K337 L339 M345 V353 E355 H357 | C223-Q341 PolarHBondContact O-NE2 2.99Å; L225-Q341 HydrophobicContact CD1-CG 4.16Å; K337-Q341 PolarHBondContact O-N 2.83Å; L339-Q341 PolarHBondContact O-N 3.39Å; Q341-M345 WeakPolarHBondContact O-CB 3.03Å; Q341-M345 PolarHBondContact O-N 3.42Å; Q341-V353 HydrophobicContact CG-CB 4.44Å; Q341-V353 HydrophobicContact CG-CG1 3.78Å; Q341-V353 PolarHBondContact NE2-O 2.97Å; Q341-E355 HydrophobicContact CB-CG 4.24Å; Q341-E355 HydrophobicContact CG-CB 4.17Å; Q341-E355 HydrophobicContact CG-CG 4Å; Q341-H357 PolarHBondContact OE1-CE1 3.1Å; Q341-H357 PolarHBondContact OE1-NE2 3.09Å |
| 342 | W | 93.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -66.3 | -44 | 176.9 | -168.3 | -90.8 | 0 | 0 | 0 | 111.9 | L225 L234 L305 A308 L310 L328 G329 P338 L339 Q340 M345 M346 | L225-W342 HydrophobicContact CD1-CE3 4.01Å; L234-W342 HydrophobicContact CD2-CH2 3.74Å; L234-W342 HydrophobicContact CD2-CZ3 4.21Å; L305-W342 HydrophobicContact CD2-CZ2 4.29Å; A308-W342 HydrophobicContact CB-CH2 4.29Å; A308-W342 HydrophobicContact CB-CZ2 4.1Å; L310-W342 HydrophobicContact CD1-CZ3 4.1Å; L310-W342 HydrophobicContact CG-CZ3 4.25Å; L328-W342 HydrophobicContact CB-CE3 4.26Å; G329-W342 VanDerWaalsContact C-CD2 3.5Å; G329-W342 VanDerWaalsContact CA-CD2 3.43Å; G329-W342 WeakPolarHBondContact O-CB 3.37Å; P338-W342 PolarHBondContact O-N 2.87Å; L339-W342 WeakPolarHBondContact O-CB 3.48Å; L339-W342 PolarHBondContact O-N 3.45Å; L339-W342 VanDerWaalsContact O-N 3.17Å; Q340-W342 PolarHBondContact O-N 3.12Å; W342-M345 HydrophobicContact CD2-CE 3.97Å; W342-M345 HydrophobicContact CE3-CE 4.15Å; W342-M345 HydrophobicContact CG-CE 4.5Å; W342-M345 HydrophobicContact CH2-CE 4.4Å; W342-M345 HydrophobicContact CZ2-CE 4.2Å; W342-M345 HydrophobicContact CZ3-CE 4.37Å; W342-M345 PolarHBondContact O-N 3.01Å; W342-M346 WeakPolarHBondContact O-CG 3.4Å; W342-M346 PolarHBondContact O-N 2.82Å |
| 343 | Q | 94.7 | Very high | 91.2 | Very high | 94 Ų | 94 | 64.9 Ų | 64.9 | 44% | 0.439 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -63.8 | -43.4 | 176.7 | -72.7 | 176.1 | -27.5 | 0 | 0 | 111.8 | L339 Q340 M345 M346 A347 | L339-Q343 HydrophobicContact CD1-CG 4.16Å; L339-Q343 HydrophobicContact CG-CG 4.4Å; L339-Q343 WeakPolarHBondContact O-CG 3.47Å; L339-Q343 PolarHBondContact O-N 3.04Å; Q340-Q343 PolarHBondContact O-N 2.94Å; Q340-Q343 VanDerWaalsContact O-N 3.11Å; Q343-M345 VanDerWaalsContact C-N 3.31Å; Q343-M345 PolarHBondContact O-N 2.7Å; Q343-M346 PolarHBondContact O-N 3Å; Q343-M346 VanDerWaalsContact O-N 3.12Å; Q343-A347 WeakPolarHBondContact O-CB 3.34Å; Q343-A347 PolarHBondContact O-N 3.4Å |
| 344 | D | 95.5 | Very high | 92.1 | Very high | 55 Ų | 55 | 64.4 Ų | 64.4 | 29% | 0.294 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -62.1 | -39.7 | 177.5 | -69.3 | -21.2 | 0 | 0 | 0 | 111.5 | Q340 A347 N348 V353 | Q340-D344 WeakPolarHBondContact O-CB 3.38Å; Q340-D344 VanDerWaalsContact O-CG 3.24Å; Q340-D344 PolarHBondContact O-N 3.03Å; D344-A347 PolarHBondContact O-N 2.97Å; D344-N348 WeakPolarHBondContact O-CB 3.35Å; D344-N348 PolarHBondContact O-N 3.07Å; D344-N348 PolarHBondContact O-ND2 2.8Å; D344-V353 HydrophobicContact CB-CG1 3.85Å; D344-V353 HydrophobicContact CB-CG2 4.16Å |
| 345 | M | 96.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -63.8 | -41.2 | 173.5 | 176.6 | -157 | 70.1 | 0 | 0 | 111.7 | L225 L234 L305 Q341 W342 Q343 N348 M349 V353 | L225-M345 HydrophobicContact CB-CB 4.28Å; L225-M345 HydrophobicContact CB-CG 4.1Å; L225-M345 HydrophobicContact CB-SD 3.74Å; L225-M345 HydrophobicContact CD1-SD 4.2Å; L225-M345 HydrophobicContact CD2-SD 4.48Å; L225-M345 HydrophobicContact CG-SD 4.38Å; L234-M345 HydrophobicContact CD1-CE 3.96Å; L234-M345 HydrophobicContact CD1-SD 3.39Å; L234-M345 WeakPolarHBondContact CD1-SD 3.41Å; L305-M345 HydrophobicContact CD2-CE 4.46Å; Q341-M345 WeakPolarHBondContact O-CB 3.03Å; Q341-M345 PolarHBondContact O-N 3.42Å; W342-M345 HydrophobicContact CD2-CE 3.97Å; W342-M345 HydrophobicContact CE3-CE 4.15Å; W342-M345 HydrophobicContact CG-CE 4.5Å; W342-M345 HydrophobicContact CH2-CE 4.4Å; W342-M345 HydrophobicContact CZ2-CE 4.2Å; W342-M345 HydrophobicContact CZ3-CE 4.37Å; W342-M345 PolarHBondContact O-N 3.01Å; Q343-M345 VanDerWaalsContact C-N 3.31Å; Q343-M345 PolarHBondContact O-N 2.7Å; M345-N348 CarbonylContact O-C 3.46Å; M345-M349 PolarHBondContact O-N 3.48Å; M345-V353 HydrophobicContact CB-CG2 4.35Å |
| 346 | M | 93.1 | Very high | 93.3 | Very high | 45 Ų | 45 | 63 Ų | 63 | 22% | 0.222 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -70.1 | -37.2 | 178 | -68.8 | -163.9 | -52.6 | 0 | 0 | 112.3 | L305 W342 Q343 M349 | L305-M346 HydrophobicContact CB-SD 4.1Å; W342-M346 WeakPolarHBondContact O-CG 3.4Å; W342-M346 PolarHBondContact O-N 2.82Å; Q343-M346 PolarHBondContact O-N 3Å; Q343-M346 VanDerWaalsContact O-N 3.12Å; M346-M349 WeakPolarHBondContact O-CE 3.33Å; M346-M349 WeakPolarHBondContact O-CG 3.3Å |
| 347 | A | 93.8 | Very high | 93.4 | Very high | 78 Ų | 78 | 56.5 Ų | 56.5 | 65% | 0.645 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -68 | -36.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q343 D344 | Q343-A347 WeakPolarHBondContact O-CB 3.34Å; Q343-A347 PolarHBondContact O-N 3.4Å; D344-A347 PolarHBondContact O-N 2.97Å |
| 348 | N | 93.2 | Very high | 93.2 | Very high | 81 Ų | 81 | 56.3 Ų | 56.3 | 43% | 0.433 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.7 | 59.8 | -174.9 | -54.6 | -76.4 | 0 | 0 | 0 | 111.9 | D344 M345 K350 T351 | D344-N348 WeakPolarHBondContact O-CB 3.35Å; D344-N348 PolarHBondContact O-N 3.07Å; D344-N348 PolarHBondContact O-ND2 2.8Å; M345-N348 CarbonylContact O-C 3.46Å; N348-K350 PolarHBondContact O-N 2.86Å; N348-T351 HydrophobicContact CB-CG2 4.17Å; N348-T351 WeakPolarHBondContact CB-OG1 3.49Å; N348-T351 WeakPolarHBondContact O-CB 3.4Å; N348-T351 PolarHBondContact O-N 2.86Å; N348-T351 PolarHBondContact O-OG1 2.86Å |
| 349 | M | 86.4 | Confident | 93 | Very high | 83 Ų | 83 | 55.2 Ų | 55.2 | 41% | 0.409 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | 135.6 | 179.9 | -56.9 | -172.3 | -169.1 | 0 | 0 | 111.2 | Y227 N229 M345 M346 T351 | Y227-M349 HydrophobicContact CD1-CG 4.4Å; Y227-M349 HydrophobicContact CD1-SD 4.21Å; Y227-M349 HydrophobicContact CE1-SD 4.44Å; Y227-M349 CarbonylContact O-C 3.6Å; N229-M349 HydrophobicContact CB-SD 3.94Å; M345-M349 PolarHBondContact O-N 3.48Å; M346-M349 WeakPolarHBondContact O-CE 3.33Å; M346-M349 WeakPolarHBondContact O-CG 3.3Å; M349-T351 VanDerWaalsContact C-N 3.3Å |
| 350 | K | 92.8 | Very high | 92.3 | Very high | 121 Ų | 121 | 57.3 Ų | 57.3 | 53% | 0.526 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.3 | -0.4 | -172.3 | -51.5 | 174.6 | 179.1 | 178.6 | 0 | 116.3 | Y227 N228 S230 N348 | Y227-K350 PolarHBondContact O-N 2.82Å; N228-K350 HydrophobicContact CB-CG 4.38Å; N228-K350 VanDerWaalsContact OD1-CE 3.29Å; N228-K350 WeakPolarHBondContact OD1-CE 3.38Å; S230-K350 PolarHBondContact OG-NZ 2.87Å; N348-K350 PolarHBondContact O-N 2.86Å |
| 351 | T | 95.6 | Very high | 90.9 | Very high | 69 Ų | 69 | 60.1 Ų | 60.1 | 42% | 0.423 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -99 | 149 | 169.3 | 74.1 | 0 | 0 | 0 | 0 | 110.5 | V226 N348 M349 | V226-T351 WeakPolarHBondContact CG2-O 3.32Å; N348-T351 HydrophobicContact CB-CG2 4.17Å; N348-T351 WeakPolarHBondContact CB-OG1 3.49Å; N348-T351 WeakPolarHBondContact O-CB 3.4Å; N348-T351 PolarHBondContact O-N 2.86Å; N348-T351 PolarHBondContact O-OG1 2.86Å; M349-T351 VanDerWaalsContact C-N 3.3Å |
| 352 | V | 96.5 | Very high | 90.7 | Very high | 95 Ų | 95 | 63.1 Ų | 63.1 | 58% | 0.576 | 33% | 0.333 | S | S | * | . | trans | -88.5 | 121.8 | 178.4 | -179 | 0 | 0 | 0 | 0 | 108.9 | L225 V226 | L225-V352 WeakPolarHBondContact O-CA 3.42Å; V226-V352 HydrophobicContact CB-CG2 4.14Å; V226-V352 HydrophobicContact CG1-CG2 4.39Å | ||
| 353 | V | 96.5 | Very high | 90.5 | Very high | 18 Ų | 18 | 66.4 Ų | 66.4 | 11% | 0.109 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 118.7 | 174.5 | -175.2 | 0 | 0 | 0 | 0 | 108.7 | S224 L225 Q341 D344 M345 | S224-V353 CarbonylContact C-O 3.43Å; S224-V353 WeakPolarHBondContact CA-O 3.43Å; L225-V353 PolarHBondContact N-O 3.29Å; L225-V353 PolarHBondContact O-N 2.9Å; Q341-V353 HydrophobicContact CG-CB 4.44Å; Q341-V353 HydrophobicContact CG-CG1 3.78Å; Q341-V353 PolarHBondContact NE2-O 2.97Å; D344-V353 HydrophobicContact CB-CG1 3.85Å; D344-V353 HydrophobicContact CB-CG2 4.16Å; M345-V353 HydrophobicContact CB-CG2 4.35Å |
| 354 | S | 96.4 | Very high | 90.3 | Very high | 51 Ų | 51 | 64.8 Ų | 64.8 | 36% | 0.357 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 131.9 | -174.2 | -56.7 | 0 | 0 | 0 | 0 | 111.4 | C223 S224 | C223-S354 WeakPolarHBondContact O-CA 3.24Å; S224-S354 WeakPolarHBondContact CB-OG 3.1Å; S224-S354 WeakPolarHBondContact OG-CB 3.49Å; S224-S354 PolarHBondContact OG-OG 2.88Å |
| 355 | E | 94.6 | Very high | 90 | Very high | 76 Ų | 76 | 65.4 Ų | 65.4 | 36% | 0.355 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 153.6 | -177.8 | -77.7 | -59.3 | 155.3 | 0 | 0 | 112.3 | C223 Q341 | C223-E355 PolarHBondContact N-O 2.83Å; C223-E355 PolarHBondContact O-N 2.79Å; Q341-E355 HydrophobicContact CB-CG 4.24Å; Q341-E355 HydrophobicContact CG-CB 4.17Å; Q341-E355 HydrophobicContact CG-CG 4Å |
| 356 | W | 92.4 | Very high | 89.6 | Confident | 52 Ų | 52 | 69.5 Ų | 69.5 | 20% | 0.197 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 130.4 | 168.6 | -74.8 | 94.6 | 0 | 0 | 0 | 110.5 | E220 H222 Q240 R242 | E220-W356 HydrophobicContact CB-CE3 3.68Å; E220-W356 HydrophobicContact CB-CZ3 4.09Å; H222-W356 HydrophobicContact CB-CD2 3.82Å; H222-W356 HydrophobicContact CB-CE3 3.79Å; H222-W356 HydrophobicContact CB-CH2 3.62Å; H222-W356 HydrophobicContact CB-CZ2 3.58Å; H222-W356 HydrophobicContact CB-CZ3 3.73Å; H222-W356 AromaticContact CD2-CD1 3.67Å; H222-W356 AromaticContact CD2-CD2 3.93Å; H222-W356 AromaticContact CD2-CE2 3.5Å; H222-W356 AromaticContact CD2-CZ2 3.98Å; H222-W356 AromaticContact CD2-NE1 3.34Å; H222-W356 PolarHBondContact CD2-NE1 3.49Å; H222-W356 VanDerWaalsContact CD2-NE1 3.34Å; H222-W356 AromaticContact CG-CE2 3.89Å; H222-W356 AromaticContact CG-CZ2 3.96Å; Q240-W356 HydrophobicContact CG-CH2 3.61Å; Q240-W356 HydrophobicContact CG-CZ2 4.21Å; Q240-W356 VanDerWaalsContact NE2-CH2 3.3Å; Q240-W356 VanDerWaalsContact NE2-CZ2 3.34Å; R242-W356 HydrophobicContact CB-CZ3 4.47Å; R242-W356 HydrophobicContact CG-CH2 3.74Å; R242-W356 HydrophobicContact CG-CZ3 3.82Å |
| 357 | H | 90.1 | Very high | 89.4 | Confident | 4 Ų | 4 | 71.1 Ų | 71.1 | 2% | 0.019 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 137.8 | 177.4 | -61.1 | -82.8 | 0 | 0 | 0 | 111.3 | E220 L221 L326 Q341 | E220-H357 CarbonylContact C-O 3.57Å; E220-H357 VanDerWaalsContact CA-O 3.28Å; E220-H357 WeakPolarHBondContact CA-O 3.35Å; L221-H357 PolarHBondContact N-O 3.27Å; L221-H357 PolarHBondContact O-N 3.02Å; L326-H357 HydrophobicContact CD1-CB 3.58Å; L326-H357 HydrophobicContact CD2-CB 3.74Å; L326-H357 HydrophobicContact CG-CB 4.31Å; Q341-H357 PolarHBondContact OE1-CE1 3.1Å; Q341-H357 PolarHBondContact OE1-NE2 3.09Å |
| 358 | F | 87.5 | Confident | 89.1 | Confident | 102 Ų | 102 | 70.6 Ų | 70.6 | 45% | 0.447 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 139.7 | 166.9 | -65.6 | -71 | 0 | 0 | 0 | 110.3 | L217 E220 | L217-F358 HydrophobicContact CB-CD1 4.22Å; L217-F358 WeakPolarHBondContact O-CD1 3.48Å; L217-F358 WeakPolarHBondContact O-CE1 3.26Å; E220-F358 HydrophobicContact CG-CD1 3.65Å; E220-F358 HydrophobicContact CG-CE1 3.62Å; E220-F358 HydrophobicContact CG-CZ 4.49Å; E220-F358 WeakPolarHBondContact OE1-CE1 3.48Å |
| 359 | L | 84.1 | Confident | 88.7 | Confident | 4 Ų | 4 | 69.8 Ų | 69.8 | 2% | 0.021 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -88.9 | 139.7 | 175.7 | -65.9 | 170.8 | 0 | 0 | 0 | 110.1 | L217 S219 L221 L244 V314 A324 L326 | L217-L359 WeakPolarHBondContact CD2-O 3.29Å; S219-L359 WeakPolarHBondContact O-CB 3.46Å; S219-L359 PolarHBondContact O-N 3.39Å; L221-L359 HydrophobicContact CB-CD1 4.24Å; L221-L359 HydrophobicContact CB-CD2 3.81Å; L221-L359 HydrophobicContact CB-CG 4.08Å; L221-L359 HydrophobicContact CD2-CD2 4.17Å; L244-L359 HydrophobicContact CD2-CD1 3.46Å; L244-L359 VanDerWaalsContact CD2-CD1 3.46Å; V314-L359 HydrophobicContact CG2-CD1 3.85Å; V314-L359 HydrophobicContact CG2-CD2 4.1Å; A324-L359 HydrophobicContact CB-CB 3.73Å; A324-L359 HydrophobicContact CB-CD1 4.16Å; A324-L359 HydrophobicContact CB-CG 4.39Å; L326-L359 HydrophobicContact CB-CD2 3.89Å |
| 360 | T | 76.5 | Confident | 88.9 | Confident | 67 Ų | 67 | 68.8 Ų | 68.8 | 41% | 0.411 | 35% | 0.351 | S | S | . | . | B | Isolated β-bridge | trans | -102.8 | 149.4 | 174.1 | 54.6 | 0 | 0 | 0 | 0 | 110 | A324 R325 | A324-T360 CarbonylContact C-O 3.59Å; A324-T360 WeakPolarHBondContact CA-O 3.41Å; R325-T360 WeakPolarHBondContact CG-O 2.9Å; R325-T360 WeakPolarHBondContact CG-OG1 3.25Å; R325-T360 PolarHBondContact N-O 3.05Å; R325-T360 PolarHBondContact NE-OG1 3.06Å; R325-T360 PolarHBondContact O-N 3.41Å; R325-T360 PolarHBondContact O-OG1 3.09Å |
| 361 | E | 64.1 | Low | 88.6 | Confident | 166 Ų | 166 | 64 Ų | 64 | 78% | 0.776 | 34% | 0.335 | S | S | * | . | trans | -70.2 | 0 | 174.7 | -67.1 | -174.5 | 172.1 | 0 | 0 | 113.1 | R325 | R325-E361 PolarHBondContact NH1-O 3.06Š|
Retrieved 361 of 361 residues in 337.3 ms
(Link to these results)