| 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 | 47.8 | Very low | 62 | Low | 245 Ų | 245 | 180.8 Ų | 180.8 | 100% | 1.207 | 87% | 0.871 | S | S | * | * | 0 | 80.4 | 0 | -72.8 | -84.4 | -94.4 | 0 | 0 | 109.4 | |||||
| 2 | G | 52.7 | Low | 62.7 | Low | 74 Ų | 74 | 176 Ų | 176 | 76% | 0.763 | 87% | 0.865 | S | S | * | * | trans | -82.7 | 116.6 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | R4 | G2-R4 PolarHBondContact O-N 3.09Å; G2-R4 VanDerWaalsContact O-N 3.11Å | ||
| 3 | R | 59.2 | Low | 63 | Low | 249 Ų | 249 | 177.7 Ų | 177.7 | 94% | 0.94 | 87% | 0.865 | S | S | * | * | trans | -64.8 | 104.1 | 175 | -83.1 | 174.2 | 152.4 | -166.8 | -5.7 | 110.3 | K5 | R3-K5 PolarHBondContact O-N 3.37Š| ||
| 4 | R | 61.8 | Low | 63.1 | Low | 245 Ų | 245 | 179.4 Ų | 179.4 | 93% | 0.925 | 87% | 0.866 | S | S | * | * | trans | -69.8 | 110.7 | 170.5 | -68.9 | -179 | 179.4 | -178.5 | -0.4 | 108.8 | G2 S6 | G2-R4 PolarHBondContact O-N 3.09Å; G2-R4 VanDerWaalsContact O-N 3.11Å; R4-S6 PolarHBondContact O-N 3.27Å | ||
| 5 | K | 60.7 | Low | 62.9 | Low | 208 Ų | 208 | 180.5 Ų | 180.5 | 90% | 0.904 | 87% | 0.865 | S | S | * | * | trans | -60.8 | 116.8 | 169 | -87.1 | 177.8 | 174.5 | 175.4 | 0 | 108.2 | R3 K7 | R3-K5 PolarHBondContact O-N 3.37Å; K5-K7 PolarHBondContact O-N 3.14Å | ||
| 6 | S | 62.7 | Low | 62.6 | Low | 105 Ų | 105 | 180.3 Ų | 180.3 | 73% | 0.734 | 87% | 0.865 | S | S | * | * | trans | -61.8 | 122.3 | 172.3 | 51.1 | 0 | 0 | 0 | 0 | 109 | R4 R8 | R4-S6 PolarHBondContact O-N 3.27Å; S6-R8 VanDerWaalsContact C-N 3.33Å; S6-R8 PolarHBondContact O-N 2.85Å | ||
| 7 | K | 64.1 | Low | 62.1 | Low | 207 Ų | 207 | 177.9 Ų | 177.9 | 90% | 0.9 | 87% | 0.865 | S | S | * | * | trans | -71.2 | 89.7 | 176.9 | -158.4 | 173.4 | -173.6 | -175.3 | 0 | 107.4 | K5 K9 | K5-K7 PolarHBondContact O-N 3.14Å; K7-K9 PolarHBondContact O-N 2.66Å | ||
| 8 | R | 66.4 | Low | 61.6 | Low | 230 Ų | 230 | 170.9 Ų | 170.9 | 87% | 0.868 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 122.3 | 174.2 | -88.4 | -177.3 | 172.4 | -175.9 | -2.8 | 108.3 | S6 | S6-R8 VanDerWaalsContact C-N 3.33Å; S6-R8 PolarHBondContact O-N 2.85Å |
| 9 | K | 66.6 | Low | 61.4 | Low | 197 Ų | 197 | 170.5 Ų | 170.5 | 86% | 0.857 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 134.5 | 172.7 | -65.2 | -178.3 | -178.3 | -179.6 | 0 | 108 | K7 | K7-K9 PolarHBondContact O-N 2.66Š|
| 10 | P | 69.1 | Low | 61.3 | Low | 115 Ų | 115 | 168.6 Ų | 168.6 | 75% | 0.747 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 146.4 | 175.3 | 23.3 | -30.6 | 0 | 0 | 0 | 109.9 | ||
| 11 | P | 71.3 | Confident | 61.3 | Low | 114 Ų | 114 | 167 Ų | 167 | 74% | 0.74 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 140.7 | 177.6 | 22.9 | -31.4 | 0 | 0 | 0 | 109.8 | K13 | P11-K13 PolarHBondContact O-N 3.12Š|
| 12 | P | 69.8 | Low | 62.4 | Low | 123 Ų | 123 | 158.8 Ų | 158.8 | 80% | 0.799 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 129.9 | 177.6 | 23.7 | -31.9 | 0 | 0 | 0 | 108.9 | K14 | P12-K14 PolarHBondContact O-N 3.3Å; P12-K14 VanDerWaalsContact O-N 3.15Å |
| 13 | K | 67.3 | Low | 63.8 | Low | 198 Ų | 198 | 159.8 Ų | 159.8 | 86% | 0.861 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -55 | 123.1 | 174.5 | -65.6 | -175.7 | 179.5 | -176.4 | 0 | 107.3 | P11 K15 | P11-K13 PolarHBondContact O-N 3.12Å; K13-K15 PolarHBondContact O-N 3.15Å; K13-K15 VanDerWaalsContact O-N 3.09Å |
| 14 | K | 64.4 | Low | 65.3 | Low | 202 Ų | 202 | 149.3 Ų | 149.3 | 88% | 0.878 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -48.5 | 120.8 | 171.6 | -114.6 | -179.6 | 177.8 | -176.8 | 0 | 106.7 | P12 M16 | P12-K14 PolarHBondContact O-N 3.3Å; P12-K14 VanDerWaalsContact O-N 3.15Å; K14-M16 PolarHBondContact O-N 3.06Å |
| 15 | K | 59.7 | Low | 66.8 | Low | 196 Ų | 196 | 140 Ų | 140 | 85% | 0.852 | 71% | 0.711 | S | S | * | * | trans | -58.3 | 116 | 167.4 | -66.6 | -173.6 | 179.2 | -174.3 | 0 | 105.1 | K13 T17 | K13-K15 PolarHBondContact O-N 3.15Å; K13-K15 VanDerWaalsContact O-N 3.09Å; K15-T17 PolarHBondContact O-N 3.42Å | ||
| 16 | M | 58.1 | Low | 68.4 | Low | 176 Ų | 176 | 130.2 Ų | 130.2 | 87% | 0.867 | 67% | 0.668 | S | S | * | * | trans | -60 | 96.2 | 164.1 | -78.3 | 160.5 | 65.1 | 0 | 0 | 104.8 | K14 G18 | K14-M16 PolarHBondContact O-N 3.06Å; M16-G18 PolarHBondContact O-N 3.41Å | ||
| 17 | T | 53.6 | Low | 69.8 | Low | 141 Ų | 141 | 127.4 Ų | 127.4 | 87% | 0.865 | 65% | 0.648 | S | S | * | * | trans | -56.8 | 87.3 | 143.8 | 23.9 | 0 | 0 | 0 | 0 | 103.8 | K15 | K15-T17 PolarHBondContact O-N 3.42Š| ||
| 18 | G | 53.6 | Low | 71.1 | Confident | 52 Ų | 52 | 122.5 Ų | 122.5 | 54% | 0.536 | 63% | 0.626 | S | S | . | * | P | Polyproline II helix | trans | -58.5 | 140.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 107.7 | M16 L20 | M16-G18 PolarHBondContact O-N 3.41Å; G18-L20 PolarHBondContact O-N 2.76Å |
| 19 | D | 57.7 | Low | 72.4 | Confident | 163 Ų | 163 | 113.4 Ų | 113.4 | 87% | 0.872 | 60% | 0.597 | S | S | * | * | P | Polyproline II helix | trans | -46.5 | 128.9 | 167.5 | -69.5 | -64.8 | 0 | 0 | 0 | 108.3 | E21 | D19-E21 PolarHBondContact O-N 2.92Š|
| 20 | L | 59.4 | Low | 73.6 | Confident | 132 Ų | 132 | 109.9 Ų | 109.9 | 69% | 0.691 | 59% | 0.588 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 130.2 | 173.9 | -71.2 | 163.2 | 0 | 0 | 0 | 107.3 | G18 T22 | G18-L20 PolarHBondContact O-N 2.76Å; L20-T22 PolarHBondContact O-N 2.73Å |
| 21 | E | 61.4 | Low | 74.7 | Confident | 136 Ų | 136 | 109.5 Ų | 109.5 | 64% | 0.636 | 58% | 0.576 | S | S | * | * | trans | -56.7 | 114.1 | -178.6 | -66.7 | -171.4 | 169.5 | 0 | 0 | 108.7 | D19 Q23 K33 | D19-E21 PolarHBondContact O-N 2.92Å; E21-Q23 PolarHBondContact O-N 2.7Å; E21-K33 IonicContact OE1-NZ 3.44Å; E21-K33 PolarHBondContact OE1-NZ 2.82Å; E21-K33 WeakPolarHBondContact OE2-CE 3.34Å; E21-K33 IonicContact OE2-NZ 2.8Å; E21-K33 PolarHBondContact OE2-NZ 2.77Å | ||
| 22 | T | 70.5 | Confident | 75.7 | Confident | 71 Ų | 71 | 111.5 Ų | 111.5 | 44% | 0.436 | 58% | 0.576 | S | S | . | * | trans | -83.8 | 17.6 | 179.1 | 56.8 | 0 | 0 | 0 | 0 | 112.5 | L20 P67 | L20-T22 PolarHBondContact O-N 2.73Å; T22-P67 HydrophobicContact CG2-CG 4.3Å | ||
| 23 | Q | 81.9 | Confident | 76.6 | Confident | 95 Ų | 95 | 110.5 Ų | 110.5 | 44% | 0.444 | 56% | 0.559 | S | S | . | * | trans | -110.2 | 113.7 | -173 | -68.9 | -175.8 | -8.4 | 0 | 0 | 109.5 | E21 K33 | E21-Q23 PolarHBondContact O-N 2.7Å; Q23-K33 HydrophobicContact CB-CB 3.81Å; Q23-K33 HydrophobicContact CB-CD 4.49Å; Q23-K33 HydrophobicContact CB-CG 3.91Å | ||
| 24 | F | 91.2 | Very high | 77.8 | Confident | 30 Ų | 30 | 101.3 Ų | 101.3 | 13% | 0.132 | 52% | 0.519 | C | S | . | . | B | Isolated β-bridge | trans | -110.1 | 161.2 | -176.5 | -55.8 | -85 | 0 | 0 | 0 | 111.6 | K33 S34 C35 V37 P67 V68 Y71 | F24-K33 CarbonylContact O-C 3.54Å; F24-K33 WeakPolarHBondContact O-CA 3.37Å; F24-K33 PolarHBondContact O-N 2.95Å; F24-S34 PolarHBondContact O-N 2.82Å; F24-S34 VanDerWaalsContact O-N 3.1Å; F24-C35 HydrophobicContact CB-CB 4.14Å; F24-C35 PolarHBondContact N-O 3Å; F24-C35 PolarHBondContact O-N 3.16Å; F24-C35 VanDerWaalsContact O-N 3.15Å; F24-V37 HydrophobicContact CD2-CG2 3.82Å; F24-V37 HydrophobicContact CE2-CG2 3.68Å; F24-P67 HydrophobicContact CE2-CB 4.11Å; F24-P67 HydrophobicContact CZ-CB 4.24Å; F24-V68 HydrophobicContact CE1-CB 4.18Å; F24-V68 HydrophobicContact CE1-CG2 4.23Å; F24-V68 HydrophobicContact CZ-CB 4.17Å; F24-Y71 HydrophobicContact CB-CD1 4.4Å; F24-Y71 HydrophobicContact CB-CD2 3.44Å; F24-Y71 VanDerWaalsContact CB-CD2 3.44Å; F24-Y71 HydrophobicContact CB-CE2 3.6Å; F24-Y71 HydrophobicContact CB-CG 3.87Å; F24-Y71 AromaticContact CD1-CD1 3.7Å; F24-Y71 HydrophobicContact CD1-CD1 3.7Å; F24-Y71 HydrophobicContact CD1-CD2 4.12Å; F24-Y71 HydrophobicContact CD1-CE1 4.27Å; F24-Y71 AromaticContact CD1-CG 3.6Å; F24-Y71 HydrophobicContact CD1-CG 3.6Å; F24-Y71 HydrophobicContact CD2-CD2 4.46Å; F24-Y71 HydrophobicContact CD2-CG 4.37Å; F24-Y71 HydrophobicContact CE1-CD1 4.3Å; F24-Y71 HydrophobicContact CE1-CG 4.24Å; F24-Y71 HydrophobicContact CG-CD1 4.22Å; F24-Y71 AromaticContact CG-CD2 3.77Å; F24-Y71 HydrophobicContact CG-CD2 3.77Å; F24-Y71 HydrophobicContact CG-CE2 4.35Å; F24-Y71 AromaticContact CG-CG 3.68Å; F24-Y71 HydrophobicContact CG-CG 3.68Å |
| 25 | T | 93.1 | Very high | 79.2 | Confident | 50 Ų | 50 | 91.7 Ų | 91.7 | 31% | 0.307 | 48% | 0.477 | S | S | . | . | trans | -84 | 134.5 | 175.2 | -60.9 | 0 | 0 | 0 | 0 | 109.7 | Y71 | T25-Y71 WeakPolarHBondContact O-CE2 3.5Å; T25-Y71 PolarHBondContact O-OH 3.35Å | ||
| 26 | C | 94.1 | Very high | 80.8 | Confident | 1 Ų | 1 | 86.2 Ų | 86.2 | 1% | 0.007 | 46% | 0.457 | C | S | . | . | trans | -74.6 | 131.5 | 179.5 | -176.3 | 0 | 0 | 0 | 0 | 111.8 | F28 C29 N30 H31 S34 C35 C50 C53 | C26-F28 PolarHBondContact O-N 2.95Å; C26-F28 PolarHBondContact SG-N 2.81Å; C26-F28 VanDerWaalsContact SG-N 3.41Å; C26-C29 VanDerWaalsContact CB-SG 3.59Å; C26-N30 VanDerWaalsContact O-CA 3.27Å; C26-N30 WeakPolarHBondContact O-CA 3.31Å; C26-N30 PolarHBondContact O-N 3.23Å; C26-H31 PolarHBondContact N-O 3.11Å; C26-S34 WeakPolarHBondContact CB-OG 3.39Å; C26-C35 WeakPolarHBondContact CA-SG 3.33Å; C26-C35 WeakPolarHBondContact CB-SG 3.33Å; C26-C50 HydrophobicContact CB-CB 4.27Å; C26-C50 VanDerWaalsContact SG-SG 3.68Å; C26-C53 PolarHBondContact SG-SG 3.48Å | ||
| 27 | P | 92.4 | Very high | 82.6 | Confident | 47 Ų | 47 | 79.1 Ų | 79.1 | 31% | 0.305 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -15.4 | 176.3 | 29.3 | -35.1 | 0 | 0 | 0 | 113.9 | W74 I75 | P27-W74 HydrophobicContact CG-CD2 4.37Å; P27-W74 HydrophobicContact CG-CE3 4.28Å; P27-W74 HydrophobicContact CG-CH2 4.45Å; P27-W74 HydrophobicContact CG-CZ2 4.47Å; P27-W74 HydrophobicContact CG-CZ3 4.33Å; P27-I75 HydrophobicContact CB-CD1 3.67Å; P27-I75 HydrophobicContact CG-CD1 3.76Å |
| 28 | F | 91.6 | Very high | 84.5 | Confident | 103 Ų | 103 | 79 Ų | 79 | 45% | 0.452 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | -49.4 | -178.2 | -63 | -86.4 | 0 | 0 | 0 | 112.9 | C26 E55 W74 C78 | C26-F28 PolarHBondContact O-N 2.95Å; C26-F28 PolarHBondContact SG-N 2.81Å; C26-F28 VanDerWaalsContact SG-N 3.41Å; F28-E55 HydrophobicContact CD2-CB 4.19Å; F28-E55 HydrophobicContact CD2-CG 3.91Å; F28-E55 HydrophobicContact CE2-CB 4.44Å; F28-E55 HydrophobicContact CE2-CG 3.69Å; F28-E55 HydrophobicContact CG-CG 4.49Å; F28-E55 HydrophobicContact CZ-CG 4.05Å; F28-W74 HydrophobicContact CD2-CH2 4.36Å; F28-W74 AromaticContact CD2-CZ2 3.81Å; F28-W74 HydrophobicContact CD2-CZ2 3.81Å; F28-W74 AromaticContact CE2-CE2 3.73Å; F28-W74 HydrophobicContact CE2-CH2 4.43Å; F28-W74 AromaticContact CE2-CZ2 3.51Å; F28-W74 HydrophobicContact CE2-CZ2 3.51Å; F28-W74 AromaticContact CE2-NE1 3.7Å; F28-C78 WeakPolarHBondContact CZ-SG 3.4Å |
| 29 | C | 94.2 | Very high | 86.4 | Confident | 39 Ų | 39 | 78.5 Ų | 78.5 | 26% | 0.264 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.4 | 1.5 | -175 | 70.9 | 0 | 0 | 0 | 0 | 114.1 | C26 H31 C50 C53 | C26-C29 VanDerWaalsContact CB-SG 3.59Å; C29-H31 PolarHBondContact O-CD2 3.22Å; C29-H31 PolarHBondContact O-N 3.44Å; C29-C50 VanDerWaalsContact SG-SG 3.6Å; C29-C53 HydrophobicContact CB-CB 3.86Å |
| 30 | N | 91.5 | Very high | 88.2 | Confident | 123 Ų | 123 | 73.2 Ų | 73.2 | 66% | 0.658 | 37% | 0.366 | S | S | * | . | trans | 55.7 | 11.3 | 176.5 | -93.6 | 81.7 | 0 | 0 | 0 | 116.5 | C26 E32 | C26-N30 VanDerWaalsContact O-CA 3.27Å; C26-N30 WeakPolarHBondContact O-CA 3.31Å; C26-N30 PolarHBondContact O-N 3.23Å; N30-E32 PolarHBondContact O-N 3.44Å | ||
| 31 | H | 92.1 | Very high | 89.9 | Confident | 107 Ų | 107 | 71.9 Ų | 71.9 | 50% | 0.495 | 35% | 0.352 | S | S | . | . | trans | -72.6 | 122.7 | 174.3 | -86.5 | -92.5 | 0 | 0 | 0 | 109.9 | C26 C29 S34 V52 | C26-H31 PolarHBondContact N-O 3.11Å; C29-H31 PolarHBondContact O-CD2 3.22Å; C29-H31 PolarHBondContact O-N 3.44Å; H31-S34 WeakPolarHBondContact O-CB 3.19Å; H31-S34 PolarHBondContact O-OG 3.5Å; H31-V52 HydrophobicContact CB-CB 4.48Å; H31-V52 HydrophobicContact CB-CG2 3.99Å | ||
| 32 | E | 91.8 | Very high | 91.5 | Very high | 157 Ų | 157 | 70.3 Ų | 70.3 | 73% | 0.734 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | 145.8 | 174.9 | -61.6 | -174.9 | 166 | 0 | 0 | 110.9 | N30 S34 | N30-E32 PolarHBondContact O-N 3.44Å; E32-S34 PolarHBondContact O-N 3.37Å |
| 33 | K | 89.6 | Confident | 92.6 | Very high | 101 Ų | 101 | 74.5 Ų | 74.5 | 44% | 0.439 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.5 | 30.6 | 173.8 | -62.3 | -174.3 | 173.4 | -149.7 | 0 | 114 | E21 Q23 F24 | E21-K33 IonicContact OE1-NZ 3.44Å; E21-K33 PolarHBondContact OE1-NZ 2.82Å; E21-K33 WeakPolarHBondContact OE2-CE 3.34Å; E21-K33 IonicContact OE2-NZ 2.8Å; E21-K33 PolarHBondContact OE2-NZ 2.77Å; Q23-K33 HydrophobicContact CB-CB 3.81Å; Q23-K33 HydrophobicContact CB-CD 4.49Å; Q23-K33 HydrophobicContact CB-CG 3.91Å; F24-K33 CarbonylContact O-C 3.54Å; F24-K33 WeakPolarHBondContact O-CA 3.37Å; F24-K33 PolarHBondContact O-N 2.95Å |
| 34 | S | 92.6 | Very high | 93.3 | Very high | 5 Ų | 5 | 74.2 Ų | 74.2 | 4% | 0.035 | 37% | 0.365 | C | S | . | . | trans | -100.8 | -10.8 | -176 | 63 | 0 | 0 | 0 | 0 | 113.5 | F24 C26 H31 E32 C50 S51 | F24-S34 PolarHBondContact O-N 2.82Å; F24-S34 VanDerWaalsContact O-N 3.1Å; C26-S34 WeakPolarHBondContact CB-OG 3.39Å; H31-S34 WeakPolarHBondContact O-CB 3.19Å; H31-S34 PolarHBondContact O-OG 3.5Å; E32-S34 PolarHBondContact O-N 3.37Å; S34-C50 WeakPolarHBondContact O-CA 3.39Å; S34-C50 PolarHBondContact OG-SG 3.04Å; S34-S51 PolarHBondContact O-N 2.94Å; S34-S51 PolarHBondContact O-OG 3.32Å | ||
| 35 | C | 94.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 125.8 | -177.9 | -64.4 | 0 | 0 | 0 | 0 | 111.7 | F24 C26 I48 S49 W74 | F24-C35 HydrophobicContact CB-CB 4.14Å; F24-C35 PolarHBondContact N-O 3Å; F24-C35 PolarHBondContact O-N 3.16Å; F24-C35 VanDerWaalsContact O-N 3.15Å; C26-C35 WeakPolarHBondContact CA-SG 3.33Å; C26-C35 WeakPolarHBondContact CB-SG 3.33Å; C35-I48 HydrophobicContact CB-CD1 4.05Å; C35-I48 HydrophobicContact CB-CG1 4.13Å; C35-S49 WeakPolarHBondContact CA-O 3.36Å; C35-W74 HydrophobicContact CB-CZ3 4.28Å; C35-W74 VanDerWaalsContact SG-CZ3 3.53Å |
| 36 | D | 93.1 | Very high | 93.8 | Very high | 81 Ų | 81 | 71.7 Ų | 71.7 | 43% | 0.433 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 139.3 | 175.7 | -69.6 | -77.4 | 0 | 0 | 0 | 110.2 | I48 S49 | D36-I48 WeakPolarHBondContact O-CA 3.39Å; D36-S49 PolarHBondContact N-O 3.13Å; D36-S49 PolarHBondContact O-N 3.19Å |
| 37 | V | 94.3 | Very high | 93.9 | Very high | 28 Ų | 28 | 72.5 Ų | 72.5 | 17% | 0.17 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 127.3 | 179.4 | -177.2 | 0 | 0 | 0 | 0 | 110.8 | F24 M39 V47 I48 P67 V70 | F24-V37 HydrophobicContact CD2-CG2 3.82Å; F24-V37 HydrophobicContact CE2-CG2 3.68Å; V37-M39 HydrophobicContact CG1-CG 4.39Å; V37-M39 HydrophobicContact CG1-SD 3.92Å; V37-V47 CarbonylContact C-O 3.55Å; V37-V47 WeakPolarHBondContact CA-O 3.27Å; V37-I48 HydrophobicContact CG2-CB 4.17Å; V37-I48 HydrophobicContact CG2-CD1 3.79Å; V37-I48 HydrophobicContact CG2-CG1 3.95Å; V37-P67 HydrophobicContact CB-CB 4.04Å; V37-P67 HydrophobicContact CG1-CB 3.97Å; V37-P67 HydrophobicContact CG2-CB 4.37Å; V37-V70 HydrophobicContact CG1-CB 3.99Å; V37-V70 HydrophobicContact CG1-CG1 4.02Å; V37-V70 HydrophobicContact CG1-CG2 4.21Å |
| 38 | K | 94.2 | Very high | 94 | Very high | 138 Ų | 138 | 70.2 Ų | 70.2 | 60% | 0.6 | 34% | 0.342 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 114.5 | 174.7 | -172.7 | -178.8 | 179.9 | -173.6 | 0 | 110.2 | E40 V47 | K38-E40 PolarHBondContact O-N 3.28Å; K38-V47 HydrophobicContact CB-CB 4.41Å; K38-V47 PolarHBondContact N-O 3.24Å; K38-V47 PolarHBondContact O-N 3.11Å |
| 39 | M | 94.5 | Very high | 94.2 | Very high | 41 Ų | 41 | 67.4 Ų | 67.4 | 20% | 0.202 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 96 | 178.3 | -59.6 | -63.5 | -89.6 | 0 | 0 | 110.8 | V37 R41 I61 S65 P67 V70 | V37-M39 HydrophobicContact CG1-CG 4.39Å; V37-M39 HydrophobicContact CG1-SD 3.92Å; M39-R41 PolarHBondContact O-N 3.45Å; M39-R41 VanDerWaalsContact O-N 3.16Å; M39-I61 HydrophobicContact CB-CD1 4.07Å; M39-I61 HydrophobicContact CE-CB 4.28Å; M39-I61 HydrophobicContact CE-CD1 3.73Å; M39-I61 HydrophobicContact CE-CG2 4Å; M39-I61 HydrophobicContact SD-CD1 3.94Å; M39-I61 HydrophobicContact SD-CG2 4.36Å; M39-S65 WeakPolarHBondContact CE-O 3.32Å; M39-P67 HydrophobicContact CG-CG 4.31Å; M39-V70 HydrophobicContact CE-CG2 4.13Å; M39-V70 HydrophobicContact SD-CG2 3.6Å; M39-V70 VanDerWaalsContact SD-CG2 3.6Å |
| 40 | E | 95.1 | Very high | 94.3 | Very high | 53 Ų | 53 | 65.7 Ų | 65.7 | 25% | 0.248 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 78.6 | 177.5 | -165 | 166 | -142.5 | 0 | 0 | 111 | K38 S42 R43 N44 T45 | K38-E40 PolarHBondContact O-N 3.28Å; E40-S42 PolarHBondContact O-N 2.94Å; E40-R43 HydrophobicContact CG-CB 4.15Å; E40-R43 HydrophobicContact CG-CG 4.32Å; E40-R43 PolarHBondContact O-N 2.8Å; E40-R43 VanDerWaalsContact O-N 3.11Å; E40-R43 WeakPolarHBondContact OE2-CD 3.35Å; E40-R43 IonicContact OE2-CZ 3.65Å; E40-R43 IonicContact OE2-NE 3.84Å; E40-R43 IonicContact OE2-NH1 2.81Å; E40-R43 PolarHBondContact OE2-NH1 2.97Å; E40-N44 PolarHBondContact O-N 3.35Å; E40-T45 WeakPolarHBondContact CA-O 3.35Å; E40-T45 WeakPolarHBondContact CB-O 3.45Å; E40-T45 PolarHBondContact N-O 3.1Å; E40-T45 PolarHBondContact O-N 2.95Å; E40-T45 VanDerWaalsContact O-N 3.15Å |
| 41 | R | 93.6 | Very high | 94.4 | Very high | 104 Ų | 104 | 63.5 Ų | 63.5 | 39% | 0.392 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -27.7 | -175.4 | -58.2 | -65.4 | -177.4 | 171.9 | 2.8 | 114.1 | M39 R43 N44 T62 S65 | M39-R41 PolarHBondContact O-N 3.45Å; M39-R41 VanDerWaalsContact O-N 3.16Å; R41-R43 PolarHBondContact O-N 3.06Å; R41-N44 PolarHBondContact O-N 3.44Å; R41-T62 PolarHBondContact NH1-O 2.9Å; R41-S65 PolarHBondContact NH1-O 2.99Å; R41-S65 PolarHBondContact NH2-O 2.98Å |
| 42 | S | 95 | Very high | 94.6 | Very high | 102 Ų | 102 | 61.9 Ų | 61.9 | 71% | 0.713 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -28.3 | 176.8 | 50.7 | 0 | 0 | 0 | 0 | 113 | E40 | E40-S42 PolarHBondContact O-N 2.94Š|
| 43 | R | 95 | Very high | 94.7 | Very high | 160 Ų | 160 | 56.8 Ų | 56.8 | 60% | 0.604 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.2 | 1.5 | -179.9 | -67.8 | 177.2 | 59.2 | -149.5 | 5.9 | 112.7 | E40 R41 T45 | E40-R43 HydrophobicContact CG-CB 4.15Å; E40-R43 HydrophobicContact CG-CG 4.32Å; E40-R43 PolarHBondContact O-N 2.8Å; E40-R43 VanDerWaalsContact O-N 3.11Å; E40-R43 WeakPolarHBondContact OE2-CD 3.35Å; E40-R43 IonicContact OE2-CZ 3.65Å; E40-R43 IonicContact OE2-NE 3.84Å; E40-R43 IonicContact OE2-NH1 2.81Å; E40-R43 PolarHBondContact OE2-NH1 2.97Å; R41-R43 PolarHBondContact O-N 3.06Å; R43-T45 PolarHBondContact O-N 2.99Å; R43-T45 PolarHBondContact O-OG1 3.09Å; R43-T45 VanDerWaalsContact O-OG1 3.12Å |
| 44 | N | 96.4 | Very high | 94.9 | Very high | 89 Ų | 89 | 58.9 Ų | 58.9 | 48% | 0.476 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.6 | 40.5 | -173.7 | -68 | 96.1 | 0 | 0 | 0 | 111.8 | E40 R41 P60 I61 | E40-N44 PolarHBondContact O-N 3.35Å; R41-N44 PolarHBondContact O-N 3.44Å; N44-P60 CarbonylContact O-C 3.58Å; N44-P60 WeakPolarHBondContact O-CA 3.31Å; N44-I61 VanDerWaalsContact C-CG1 3.45Å; N44-I61 WeakPolarHBondContact CB-O 3.33Å; N44-I61 PolarHBondContact ND2-O 2.76Å; N44-I61 VanDerWaalsContact ND2-O 3.14Å; N44-I61 PolarHBondContact O-N 2.86Å |
| 45 | T | 97.4 | Very high | 95 | Very high | 26 Ų | 26 | 62.8 Ų | 62.8 | 16% | 0.16 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 128.9 | -179.1 | -48.2 | 0 | 0 | 0 | 0 | 110.8 | E40 R43 V47 Q58 I61 | E40-T45 WeakPolarHBondContact CA-O 3.35Å; E40-T45 WeakPolarHBondContact CB-O 3.45Å; E40-T45 PolarHBondContact N-O 3.1Å; E40-T45 PolarHBondContact O-N 2.95Å; E40-T45 VanDerWaalsContact O-N 3.15Å; R43-T45 PolarHBondContact O-N 2.99Å; R43-T45 PolarHBondContact O-OG1 3.09Å; R43-T45 VanDerWaalsContact O-OG1 3.12Å; T45-V47 HydrophobicContact CG2-CG2 4.3Å; T45-Q58 HydrophobicContact CG2-CB 4.28Å; T45-I61 WeakPolarHBondContact O-CD1 3.36Å |
| 46 | G | 96.7 | Very high | 95 | Very high | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 134 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | Q58 T59 | G46-Q58 WeakPolarHBondContact O-CA 3.42Å; G46-T59 PolarHBondContact N-O 2.88Å; G46-T59 PolarHBondContact O-N 3.19Å |
| 47 | V | 96.3 | Very high | 95.2 | Very high | 18 Ų | 18 | 66.3 Ų | 66.3 | 11% | 0.109 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 129.8 | 177.1 | -175.4 | 0 | 0 | 0 | 0 | 108.2 | V37 K38 T45 E56 F57 Q58 | V37-V47 CarbonylContact C-O 3.55Å; V37-V47 WeakPolarHBondContact CA-O 3.27Å; K38-V47 HydrophobicContact CB-CB 4.41Å; K38-V47 PolarHBondContact N-O 3.24Å; K38-V47 PolarHBondContact O-N 3.11Å; T45-V47 HydrophobicContact CG2-CG2 4.3Å; V47-E56 HydrophobicContact CG1-CG 3.71Å; V47-F57 CarbonylContact C-O 3.58Å; V47-F57 WeakPolarHBondContact CA-O 3.4Å; V47-Q58 HydrophobicContact CB-CG 4.49Å; V47-Q58 HydrophobicContact CG1-CG 4.16Å; V47-Q58 HydrophobicContact CG2-CG 4.01Å |
| 48 | I | 95.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 136.1 | 172.8 | -177.1 | 162.4 | 0 | 0 | 0 | 109.5 | C35 D36 V37 E56 F57 V70 Y71 W74 | C35-I48 HydrophobicContact CB-CD1 4.05Å; C35-I48 HydrophobicContact CB-CG1 4.13Å; D36-I48 WeakPolarHBondContact O-CA 3.39Å; V37-I48 HydrophobicContact CG2-CB 4.17Å; V37-I48 HydrophobicContact CG2-CD1 3.79Å; V37-I48 HydrophobicContact CG2-CG1 3.95Å; I48-E56 CarbonylContact O-C 3.59Å; I48-E56 VanDerWaalsContact O-CA 3.31Å; I48-E56 WeakPolarHBondContact O-CA 3.15Å; I48-F57 HydrophobicContact CG2-CB 3.75Å; I48-F57 HydrophobicContact CG2-CD1 4.01Å; I48-F57 HydrophobicContact CG2-CG 4.4Å; I48-F57 PolarHBondContact N-O 3.38Å; I48-F57 PolarHBondContact O-N 2.97Å; I48-V70 HydrophobicContact CB-CG1 3.96Å; I48-V70 HydrophobicContact CG2-CG1 4.05Å; I48-Y71 HydrophobicContact CD1-CD2 3.71Å; I48-Y71 HydrophobicContact CD1-CG 4.44Å; I48-W74 HydrophobicContact CB-CE3 4.44Å; I48-W74 HydrophobicContact CD1-CD2 4.4Å; I48-W74 HydrophobicContact CD1-CE3 3.39Å; I48-W74 HydrophobicContact CD1-CZ3 3.64Å; I48-W74 HydrophobicContact CG1-CE3 3.79Å; I48-W74 HydrophobicContact CG1-CZ3 3.75Å; I48-W74 HydrophobicContact CG2-CB 4.06Å; I48-W74 HydrophobicContact CG2-CD2 3.74Å; I48-W74 HydrophobicContact CG2-CE3 3.78Å; I48-W74 HydrophobicContact CG2-CG 3.93Å; I48-W74 HydrophobicContact CG2-CZ3 4.35Å |
| 49 | S | 95.4 | Very high | 95.4 | Very high | 44 Ų | 44 | 64.2 Ų | 64.2 | 31% | 0.308 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 138.1 | -178.5 | 59.2 | 0 | 0 | 0 | 0 | 111.3 | C35 D36 E55 | C35-S49 WeakPolarHBondContact CA-O 3.36Å; D36-S49 PolarHBondContact N-O 3.13Å; D36-S49 PolarHBondContact O-N 3.19Å; S49-E55 CarbonylContact C-O 3.6Å; S49-E55 WeakPolarHBondContact CA-O 3.45Å |
| 50 | C | 95.3 | Very high | 95.6 | Very high | 3 Ų | 3 | 67.4 Ų | 67.4 | 2% | 0.02 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 125.9 | 172.3 | -176.1 | 0 | 0 | 0 | 0 | 111.5 | C26 C29 S34 V52 C53 L54 E55 W74 | C26-C50 HydrophobicContact CB-CB 4.27Å; C26-C50 VanDerWaalsContact SG-SG 3.68Å; C29-C50 VanDerWaalsContact SG-SG 3.6Å; S34-C50 WeakPolarHBondContact O-CA 3.39Å; S34-C50 PolarHBondContact OG-SG 3.04Å; C50-V52 PolarHBondContact O-N 2.89Å; C50-V52 PolarHBondContact SG-N 3.16Å; C50-V52 VanDerWaalsContact SG-N 3.38Å; C50-C53 VanDerWaalsContact CB-SG 3.52Å; C50-L54 WeakPolarHBondContact O-CA 3.38Å; C50-L54 PolarHBondContact O-N 2.81Å; C50-E55 PolarHBondContact N-O 3.39Å; C50-W74 HydrophobicContact CB-CH2 4.44Å |
| 51 | S | 94.1 | Very high | 95.7 | Very high | 77 Ų | 77 | 65.1 Ų | 65.1 | 54% | 0.538 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | -13 | 175.9 | 55.8 | 0 | 0 | 0 | 0 | 114.7 | S34 | S34-S51 PolarHBondContact O-N 2.94Å; S34-S51 PolarHBondContact O-OG 3.32Å |
| 52 | V | 95.5 | Very high | 95.8 | Very high | 72 Ų | 72 | 63.9 Ų | 63.9 | 44% | 0.436 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | -56 | -177.1 | 179 | 0 | 0 | 0 | 0 | 111.9 | H31 C50 | H31-V52 HydrophobicContact CB-CB 4.48Å; H31-V52 HydrophobicContact CB-CG2 3.99Å; C50-V52 PolarHBondContact O-N 2.89Å; C50-V52 PolarHBondContact SG-N 3.16Å; C50-V52 VanDerWaalsContact SG-N 3.38Å |
| 53 | C | 95.6 | Very high | 95.7 | Very high | 51 Ų | 51 | 68.1 Ų | 68.1 | 35% | 0.345 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | -5.7 | -179.8 | 63.5 | 0 | 0 | 0 | 0 | 114.1 | C26 C29 C50 E55 | C26-C53 PolarHBondContact SG-SG 3.48Å; C29-C53 HydrophobicContact CB-CB 3.86Å; C50-C53 VanDerWaalsContact CB-SG 3.52Å; C53-E55 PolarHBondContact O-N 3.38Å |
| 54 | L | 94 | Very high | 95.7 | Very high | 144 Ų | 144 | 66.1 Ų | 66.1 | 75% | 0.754 | 35% | 0.354 | S | S | * | . | trans | 64 | 15.5 | 177.6 | -51.2 | 176.7 | 0 | 0 | 0 | 115 | C50 | C50-L54 WeakPolarHBondContact O-CA 3.38Å; C50-L54 PolarHBondContact O-N 2.81Å | ||
| 55 | E | 93.7 | Very high | 95.6 | Very high | 88 Ų | 88 | 62.7 Ų | 62.7 | 41% | 0.411 | 34% | 0.337 | S | S | . | . | trans | -71.4 | 140.7 | 173.3 | -164.6 | 59.3 | -110.8 | 0 | 0 | 110.8 | F28 S49 C50 C53 W74 | F28-E55 HydrophobicContact CD2-CB 4.19Å; F28-E55 HydrophobicContact CD2-CG 3.91Å; F28-E55 HydrophobicContact CE2-CB 4.44Å; F28-E55 HydrophobicContact CE2-CG 3.69Å; F28-E55 HydrophobicContact CG-CG 4.49Å; F28-E55 HydrophobicContact CZ-CG 4.05Å; S49-E55 CarbonylContact C-O 3.6Å; S49-E55 WeakPolarHBondContact CA-O 3.45Å; C50-E55 PolarHBondContact N-O 3.39Å; C53-E55 PolarHBondContact O-N 3.38Å; E55-W74 HydrophobicContact CB-CZ2 4.21Å; E55-W74 HydrophobicContact CG-CZ2 4.02Å | ||
| 56 | E | 94.9 | Very high | 95.5 | Very high | 104 Ų | 104 | 66.2 Ų | 66.2 | 49% | 0.486 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 142.1 | -179.5 | -175.5 | -178.3 | 108.7 | 0 | 0 | 110.9 | V47 I48 Q58 | V47-E56 HydrophobicContact CG1-CG 3.71Å; I48-E56 CarbonylContact O-C 3.59Å; I48-E56 VanDerWaalsContact O-CA 3.31Å; I48-E56 WeakPolarHBondContact O-CA 3.15Å; E56-Q58 PolarHBondContact OE1-NE2 3.12Å |
| 57 | F | 96 | Very high | 95.3 | Very high | 51 Ų | 51 | 68 Ų | 68 | 22% | 0.224 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 148.8 | 172.9 | 175.9 | -104.3 | 0 | 0 | 0 | 111.8 | V47 I48 T59 D73 W74 A77 | V47-F57 CarbonylContact C-O 3.58Å; V47-F57 WeakPolarHBondContact CA-O 3.4Å; I48-F57 HydrophobicContact CG2-CB 3.75Å; I48-F57 HydrophobicContact CG2-CD1 4.01Å; I48-F57 HydrophobicContact CG2-CG 4.4Å; I48-F57 PolarHBondContact N-O 3.38Å; I48-F57 PolarHBondContact O-N 2.97Å; F57-T59 HydrophobicContact CE1-CG2 4.36Å; F57-D73 HydrophobicContact CE1-CB 4.18Å; F57-W74 HydrophobicContact CB-CB 4.48Å; F57-W74 HydrophobicContact CB-CD2 4.19Å; F57-W74 HydrophobicContact CB-CG 3.76Å; F57-W74 VanDerWaalsContact CB-NE1 3.34Å; F57-W74 HydrophobicContact CD1-CB 3.53Å; F57-W74 AromaticContact CD1-CD1 3.64Å; F57-W74 AromaticContact CD1-CG 3.73Å; F57-W74 HydrophobicContact CD1-CG 3.73Å; F57-W74 AromaticContact CD2-CD1 3.87Å; F57-W74 HydrophobicContact CE1-CB 3.96Å; F57-W74 HydrophobicContact CE1-CG 4.5Å; F57-W74 HydrophobicContact CG-CB 4.16Å; F57-W74 AromaticContact CG-CD1 3.31Å; F57-W74 AromaticContact CG-CG 3.85Å; F57-W74 HydrophobicContact CG-CG 3.85Å; F57-W74 AromaticContact CG-NE1 3.92Å; F57-A77 HydrophobicContact CE2-CB 3.64Å; F57-A77 HydrophobicContact CZ-CB 3.63Å |
| 58 | Q | 96.9 | Very high | 95.2 | Very high | 108 Ų | 108 | 70.2 Ų | 70.2 | 51% | 0.505 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 132.1 | -179.3 | -56.1 | -170.4 | -12.6 | 0 | 0 | 110.1 | T45 G46 V47 E56 | T45-Q58 HydrophobicContact CG2-CB 4.28Å; G46-Q58 WeakPolarHBondContact O-CA 3.42Å; V47-Q58 HydrophobicContact CB-CG 4.49Å; V47-Q58 HydrophobicContact CG1-CG 4.16Å; V47-Q58 HydrophobicContact CG2-CG 4.01Å; E56-Q58 PolarHBondContact OE1-NE2 3.12Å |
| 59 | T | 97.3 | Very high | 95.1 | Very high | 13 Ų | 13 | 73.3 Ų | 73.3 | 8% | 0.08 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 146 | 178.5 | -173.4 | 0 | 0 | 0 | 0 | 110.6 | G46 F57 I61 V70 D73 | G46-T59 PolarHBondContact N-O 2.88Å; G46-T59 PolarHBondContact O-N 3.19Å; F57-T59 HydrophobicContact CE1-CG2 4.36Å; T59-I61 HydrophobicContact CG2-CG2 4.36Å; T59-V70 HydrophobicContact CG2-CB 4.1Å; T59-V70 HydrophobicContact CG2-CG1 3.83Å; T59-V70 HydrophobicContact CG2-CG2 3.9Å; T59-D73 HydrophobicContact CG2-CB 4.16Å; T59-D73 WeakPolarHBondContact CG2-OD2 3.5Å; T59-D73 PolarHBondContact OG1-OD2 3.1Å |
| 60 | P | 97.6 | Very high | 95.1 | Very high | 108 Ų | 108 | 71.2 Ų | 71.2 | 70% | 0.701 | 38% | 0.378 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 137.8 | 171 | 26.7 | -35.8 | 0 | 0 | 0 | 111.8 | N44 | N44-P60 CarbonylContact O-C 3.58Å; N44-P60 WeakPolarHBondContact O-CA 3.31Å |
| 61 | I | 97.5 | Very high | 95.2 | Very high | 6 Ų | 6 | 73.6 Ų | 73.6 | 3% | 0.031 | 39% | 0.387 | C | S | . | . | trans | -124.1 | 149.5 | 177.2 | 62 | 170.8 | 0 | 0 | 0 | 112 | M39 N44 T45 T59 V70 | M39-I61 HydrophobicContact CB-CD1 4.07Å; M39-I61 HydrophobicContact CE-CB 4.28Å; M39-I61 HydrophobicContact CE-CD1 3.73Å; M39-I61 HydrophobicContact CE-CG2 4Å; M39-I61 HydrophobicContact SD-CD1 3.94Å; M39-I61 HydrophobicContact SD-CG2 4.36Å; N44-I61 VanDerWaalsContact C-CG1 3.45Å; N44-I61 WeakPolarHBondContact CB-O 3.33Å; N44-I61 PolarHBondContact ND2-O 2.76Å; N44-I61 VanDerWaalsContact ND2-O 3.14Å; N44-I61 PolarHBondContact O-N 2.86Å; T45-I61 WeakPolarHBondContact O-CD1 3.36Å; T59-I61 HydrophobicContact CG2-CG2 4.36Å; I61-V70 HydrophobicContact CG2-CG2 3.64Å | ||
| 62 | T | 95.9 | Very high | 95.2 | Very high | 78 Ų | 78 | 72.3 Ų | 72.3 | 48% | 0.479 | 38% | 0.378 | S | S | . | . | trans | -99 | -177.1 | 172.2 | 72.6 | 0 | 0 | 0 | 0 | 110.6 | R41 L64 S65 | R41-T62 PolarHBondContact NH1-O 2.9Å; T62-L64 VanDerWaalsContact C-N 3.26Å; T62-L64 PolarHBondContact OG1-N 2.99Å; T62-S65 PolarHBondContact N-OG 3.27Å; T62-S65 PolarHBondContact OG1-N 2.91Å; T62-S65 PolarHBondContact OG1-OG 2.95Å; T62-S65 VanDerWaalsContact OG1-OG 3.09Å | ||
| 63 | Y | 93.4 | Very high | 95.3 | Very high | 191 Ų | 191 | 71.8 Ų | 71.8 | 75% | 0.749 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -70.3 | -26.8 | 173.6 | 101.5 | -95.9 | 0 | 0 | 0 | 112.5 | ||
| 64 | L | 94.8 | Very high | 95.3 | Very high | 118 Ų | 118 | 69.6 Ų | 69.6 | 62% | 0.618 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -81.4 | -19.3 | -180 | -69.8 | 172 | 0 | 0 | 0 | 112.4 | T62 | T62-L64 VanDerWaalsContact C-N 3.26Å; T62-L64 PolarHBondContact OG1-N 2.99Å |
| 65 | S | 94.8 | Very high | 95.4 | Very high | 17 Ų | 17 | 64.5 Ų | 64.5 | 12% | 0.119 | 33% | 0.33 | C | S | . | . | trans | -63.1 | 138 | -176 | -57.5 | 0 | 0 | 0 | 0 | 111.4 | M39 R41 T62 D69 | M39-S65 WeakPolarHBondContact CE-O 3.32Å; R41-S65 PolarHBondContact NH1-O 2.99Å; R41-S65 PolarHBondContact NH2-O 2.98Å; T62-S65 PolarHBondContact N-OG 3.27Å; T62-S65 PolarHBondContact OG1-N 2.91Å; T62-S65 PolarHBondContact OG1-OG 2.95Å; T62-S65 VanDerWaalsContact OG1-OG 3.09Å; S65-D69 WeakPolarHBondContact CA-OD2 3.27Å | ||
| 66 | E | 93.9 | Very high | 95.5 | Very high | 100 Ų | 100 | 64.6 Ų | 64.6 | 47% | 0.467 | 33% | 0.334 | S | S | . | . | trans | -109 | 162.5 | 174.8 | -63.1 | -165.1 | 124.4 | 0 | 0 | 110.4 | V68 D69 | E66-V68 HydrophobicContact CB-CG1 4.04Å; E66-V68 PolarHBondContact O-N 3.23Å; E66-V68 VanDerWaalsContact O-N 3.12Å; E66-D69 PolarHBondContact N-OD2 3.09Å; E66-D69 WeakPolarHBondContact O-CB 3.37Å; E66-D69 PolarHBondContact O-N 2.86Å | ||
| 67 | P | 92.9 | Very high | 95.5 | Very high | 36 Ų | 36 | 61.4 Ų | 61.4 | 23% | 0.234 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -55.1 | -29 | 178.3 | -29.4 | 37.5 | 0 | 0 | 0 | 114.6 | T22 F24 V37 M39 D69 V70 Y71 | T22-P67 HydrophobicContact CG2-CG 4.3Å; F24-P67 HydrophobicContact CE2-CB 4.11Å; F24-P67 HydrophobicContact CZ-CB 4.24Å; V37-P67 HydrophobicContact CB-CB 4.04Å; V37-P67 HydrophobicContact CG1-CB 3.97Å; V37-P67 HydrophobicContact CG2-CB 4.37Å; M39-P67 HydrophobicContact CG-CG 4.31Å; P67-D69 VanDerWaalsContact C-N 3.31Å; P67-V70 PolarHBondContact O-N 3.15Å; P67-Y71 PolarHBondContact O-N 3.41Å |
| 68 | V | 93.8 | Very high | 95.3 | Very high | 65 Ų | 65 | 59.9 Ų | 59.9 | 39% | 0.394 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -66.9 | -30.8 | 175.9 | 65 | 0 | 0 | 0 | 0 | 112.7 | F24 E66 Y71 S72 | F24-V68 HydrophobicContact CE1-CB 4.18Å; F24-V68 HydrophobicContact CE1-CG2 4.23Å; F24-V68 HydrophobicContact CZ-CB 4.17Å; E66-V68 HydrophobicContact CB-CG1 4.04Å; E66-V68 PolarHBondContact O-N 3.23Å; E66-V68 VanDerWaalsContact O-N 3.12Å; V68-Y71 PolarHBondContact O-N 2.86Å; V68-S72 PolarHBondContact O-N 3.47Å; V68-S72 PolarHBondContact O-OG 3.26Å |
| 69 | D | 94.9 | Very high | 95.1 | Very high | 66 Ų | 66 | 61 Ų | 61 | 35% | 0.353 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -66.3 | -43.5 | 176.3 | -59.1 | -37.3 | 0 | 0 | 0 | 109.8 | S65 E66 P67 Y71 S72 D73 | S65-D69 WeakPolarHBondContact CA-OD2 3.27Å; E66-D69 PolarHBondContact N-OD2 3.09Å; E66-D69 WeakPolarHBondContact O-CB 3.37Å; E66-D69 PolarHBondContact O-N 2.86Å; P67-D69 VanDerWaalsContact C-N 3.31Å; D69-Y71 VanDerWaalsContact C-N 3.31Å; D69-Y71 PolarHBondContact O-N 3.04Å; D69-S72 PolarHBondContact O-N 3.02Å; D69-S72 VanDerWaalsContact O-N 3.16Å; D69-D73 PolarHBondContact O-N 3.33Å |
| 70 | V | 95.4 | Very high | 95 | Very high | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -61.6 | -40.2 | 176.6 | 176.8 | 0 | 0 | 0 | 0 | 111.7 | V37 M39 I48 T59 I61 P67 W74 | V37-V70 HydrophobicContact CG1-CB 3.99Å; V37-V70 HydrophobicContact CG1-CG1 4.02Å; V37-V70 HydrophobicContact CG1-CG2 4.21Å; M39-V70 HydrophobicContact CE-CG2 4.13Å; M39-V70 HydrophobicContact SD-CG2 3.6Å; M39-V70 VanDerWaalsContact SD-CG2 3.6Å; I48-V70 HydrophobicContact CB-CG1 3.96Å; I48-V70 HydrophobicContact CG2-CG1 4.05Å; T59-V70 HydrophobicContact CG2-CB 4.1Å; T59-V70 HydrophobicContact CG2-CG1 3.83Å; T59-V70 HydrophobicContact CG2-CG2 3.9Å; I61-V70 HydrophobicContact CG2-CG2 3.64Å; P67-V70 PolarHBondContact O-N 3.15Å; V70-W74 PolarHBondContact O-N 3.31Å; V70-W74 VanDerWaalsContact O-N 3.13Å |
| 71 | Y | 95.8 | Very high | 94.6 | Very high | 52 Ų | 52 | 63.9 Ų | 63.9 | 20% | 0.204 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -64.7 | -43.9 | 175.3 | 177 | -106.3 | 0 | 0 | 0 | 111.6 | F24 T25 I48 P67 V68 D69 W74 I75 | F24-Y71 HydrophobicContact CB-CD1 4.4Å; F24-Y71 HydrophobicContact CB-CD2 3.44Å; F24-Y71 VanDerWaalsContact CB-CD2 3.44Å; F24-Y71 HydrophobicContact CB-CE2 3.6Å; F24-Y71 HydrophobicContact CB-CG 3.87Å; F24-Y71 AromaticContact CD1-CD1 3.7Å; F24-Y71 HydrophobicContact CD1-CD1 3.7Å; F24-Y71 HydrophobicContact CD1-CD2 4.12Å; F24-Y71 HydrophobicContact CD1-CE1 4.27Å; F24-Y71 AromaticContact CD1-CG 3.6Å; F24-Y71 HydrophobicContact CD1-CG 3.6Å; F24-Y71 HydrophobicContact CD2-CD2 4.46Å; F24-Y71 HydrophobicContact CD2-CG 4.37Å; F24-Y71 HydrophobicContact CE1-CD1 4.3Å; F24-Y71 HydrophobicContact CE1-CG 4.24Å; F24-Y71 HydrophobicContact CG-CD1 4.22Å; F24-Y71 AromaticContact CG-CD2 3.77Å; F24-Y71 HydrophobicContact CG-CD2 3.77Å; F24-Y71 HydrophobicContact CG-CE2 4.35Å; F24-Y71 AromaticContact CG-CG 3.68Å; F24-Y71 HydrophobicContact CG-CG 3.68Å; T25-Y71 WeakPolarHBondContact O-CE2 3.5Å; T25-Y71 PolarHBondContact O-OH 3.35Å; I48-Y71 HydrophobicContact CD1-CD2 3.71Å; I48-Y71 HydrophobicContact CD1-CG 4.44Å; P67-Y71 PolarHBondContact O-N 3.41Å; V68-Y71 PolarHBondContact O-N 2.86Å; D69-Y71 VanDerWaalsContact C-N 3.31Å; D69-Y71 PolarHBondContact O-N 3.04Å; Y71-W74 HydrophobicContact CD2-CE3 4.26Å; Y71-W74 HydrophobicContact CE2-CE3 4.48Å; Y71-W74 WeakPolarHBondContact O-CB 3.49Å; Y71-W74 PolarHBondContact O-N 3.15Å; Y71-I75 HydrophobicContact CD1-CG1 4.46Å; Y71-I75 HydrophobicContact CE1-CD1 4.37Å; Y71-I75 HydrophobicContact CE1-CG1 4.02Å; Y71-I75 HydrophobicContact CE2-CD1 3.98Å; Y71-I75 HydrophobicContact CE2-CG1 4.32Å; Y71-I75 WeakPolarHBondContact O-CG1 3.16Å; Y71-I75 PolarHBondContact O-N 2.87Å; Y71-I75 VanDerWaalsContact O-N 3.11Å |
| 72 | S | 95.3 | Very high | 94.1 | Very high | 51 Ų | 51 | 70.2 Ų | 70.2 | 36% | 0.357 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -63.3 | -46.1 | 179.3 | -53.4 | 0 | 0 | 0 | 0 | 111.4 | V68 D69 W74 I75 D76 | V68-S72 PolarHBondContact O-N 3.47Å; V68-S72 PolarHBondContact O-OG 3.26Å; D69-S72 PolarHBondContact O-N 3.02Å; D69-S72 VanDerWaalsContact O-N 3.16Å; S72-W74 PolarHBondContact O-N 3.25Å; S72-I75 PolarHBondContact O-N 3.38Å; S72-I75 VanDerWaalsContact O-N 3.09Å; S72-D76 PolarHBondContact O-N 3.3Å |
| 73 | D | 96.9 | Very high | 93 | Very high | 60 Ų | 60 | 77.2 Ų | 77.2 | 32% | 0.321 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -56.7 | -36.8 | 174.5 | -73.5 | -8.8 | 0 | 0 | 0 | 112.1 | F57 T59 D69 A77 | F57-D73 HydrophobicContact CE1-CB 4.18Å; T59-D73 HydrophobicContact CG2-CB 4.16Å; T59-D73 WeakPolarHBondContact CG2-OD2 3.5Å; T59-D73 PolarHBondContact OG1-OD2 3.1Å; D69-D73 PolarHBondContact O-N 3.33Å; D73-A77 VanDerWaalsContact O-CB 3.27Å; D73-A77 WeakPolarHBondContact O-CB 3.49Å; D73-A77 PolarHBondContact O-N 3Å |
| 74 | W | 95.9 | Very high | 93 | Very high | 5 Ų | 5 | 71.6 Ų | 71.6 | 2% | 0.019 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -68 | -41.4 | 177.5 | -171.9 | 26.5 | 0 | 0 | 0 | 112.1 | P27 F28 C35 I48 C50 E55 F57 V70 Y71 S72 A77 C78 | P27-W74 HydrophobicContact CG-CD2 4.37Å; P27-W74 HydrophobicContact CG-CE3 4.28Å; P27-W74 HydrophobicContact CG-CH2 4.45Å; P27-W74 HydrophobicContact CG-CZ2 4.47Å; P27-W74 HydrophobicContact CG-CZ3 4.33Å; F28-W74 HydrophobicContact CD2-CH2 4.36Å; F28-W74 AromaticContact CD2-CZ2 3.81Å; F28-W74 HydrophobicContact CD2-CZ2 3.81Å; F28-W74 AromaticContact CE2-CE2 3.73Å; F28-W74 HydrophobicContact CE2-CH2 4.43Å; F28-W74 AromaticContact CE2-CZ2 3.51Å; F28-W74 HydrophobicContact CE2-CZ2 3.51Å; F28-W74 AromaticContact CE2-NE1 3.7Å; C35-W74 HydrophobicContact CB-CZ3 4.28Å; C35-W74 VanDerWaalsContact SG-CZ3 3.53Å; I48-W74 HydrophobicContact CB-CE3 4.44Å; I48-W74 HydrophobicContact CD1-CD2 4.4Å; I48-W74 HydrophobicContact CD1-CE3 3.39Å; I48-W74 HydrophobicContact CD1-CZ3 3.64Å; I48-W74 HydrophobicContact CG1-CE3 3.79Å; I48-W74 HydrophobicContact CG1-CZ3 3.75Å; I48-W74 HydrophobicContact CG2-CB 4.06Å; I48-W74 HydrophobicContact CG2-CD2 3.74Å; I48-W74 HydrophobicContact CG2-CE3 3.78Å; I48-W74 HydrophobicContact CG2-CG 3.93Å; I48-W74 HydrophobicContact CG2-CZ3 4.35Å; C50-W74 HydrophobicContact CB-CH2 4.44Å; E55-W74 HydrophobicContact CB-CZ2 4.21Å; E55-W74 HydrophobicContact CG-CZ2 4.02Å; F57-W74 HydrophobicContact CB-CB 4.48Å; F57-W74 HydrophobicContact CB-CD2 4.19Å; F57-W74 HydrophobicContact CB-CG 3.76Å; F57-W74 VanDerWaalsContact CB-NE1 3.34Å; F57-W74 HydrophobicContact CD1-CB 3.53Å; F57-W74 AromaticContact CD1-CD1 3.64Å; F57-W74 AromaticContact CD1-CG 3.73Å; F57-W74 HydrophobicContact CD1-CG 3.73Å; F57-W74 AromaticContact CD2-CD1 3.87Å; F57-W74 HydrophobicContact CE1-CB 3.96Å; F57-W74 HydrophobicContact CE1-CG 4.5Å; F57-W74 HydrophobicContact CG-CB 4.16Å; F57-W74 AromaticContact CG-CD1 3.31Å; F57-W74 AromaticContact CG-CG 3.85Å; F57-W74 HydrophobicContact CG-CG 3.85Å; F57-W74 AromaticContact CG-NE1 3.92Å; V70-W74 PolarHBondContact O-N 3.31Å; V70-W74 VanDerWaalsContact O-N 3.13Å; Y71-W74 HydrophobicContact CD2-CE3 4.26Å; Y71-W74 HydrophobicContact CE2-CE3 4.48Å; Y71-W74 WeakPolarHBondContact O-CB 3.49Å; Y71-W74 PolarHBondContact O-N 3.15Å; S72-W74 PolarHBondContact O-N 3.25Å; W74-A77 PolarHBondContact O-N 2.91Å; W74-C78 PolarHBondContact O-N 3.44Å; W74-C78 PolarHBondContact O-SG 3.22Å |
| 75 | I | 95.7 | Very high | 92.9 | Very high | 37 Ų | 37 | 69.1 Ų | 69.1 | 19% | 0.19 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -61.4 | -50 | 175.1 | -59.7 | -52.6 | 0 | 0 | 0 | 110.1 | P27 Y71 S72 A77 C78 E79 | P27-I75 HydrophobicContact CB-CD1 3.67Å; P27-I75 HydrophobicContact CG-CD1 3.76Å; Y71-I75 HydrophobicContact CD1-CG1 4.46Å; Y71-I75 HydrophobicContact CE1-CD1 4.37Å; Y71-I75 HydrophobicContact CE1-CG1 4.02Å; Y71-I75 HydrophobicContact CE2-CD1 3.98Å; Y71-I75 HydrophobicContact CE2-CG1 4.32Å; Y71-I75 WeakPolarHBondContact O-CG1 3.16Å; Y71-I75 PolarHBondContact O-N 2.87Å; Y71-I75 VanDerWaalsContact O-N 3.11Å; S72-I75 PolarHBondContact O-N 3.38Å; S72-I75 VanDerWaalsContact O-N 3.09Å; I75-A77 VanDerWaalsContact C-N 3.31Å; I75-A77 PolarHBondContact O-N 2.8Å; I75-C78 WeakPolarHBondContact O-CB 3.44Å; I75-C78 PolarHBondContact O-N 3.26Å; I75-E79 PolarHBondContact O-N 3.21Å |
| 76 | D | 95.9 | Very high | 92.8 | Very high | 91 Ų | 91 | 72 Ų | 72 | 49% | 0.487 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -59.1 | -43 | 179.4 | -68.4 | -11.4 | 0 | 0 | 0 | 111.2 | S72 C78 E79 V80 | S72-D76 PolarHBondContact O-N 3.3Å; D76-C78 VanDerWaalsContact C-N 3.34Å; D76-C78 PolarHBondContact O-N 3.24Å; D76-E79 PolarHBondContact O-N 3.37Å; D76-V80 VanDerWaalsContact O-CG2 3.31Å; D76-V80 WeakPolarHBondContact O-CG2 3.47Å; D76-V80 PolarHBondContact O-N 3.44Å |
| 77 | A | 94.5 | Very high | 92.7 | Very high | 37 Ų | 37 | 70.4 Ų | 70.4 | 31% | 0.306 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -63.2 | -37.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | F57 D73 W74 I75 A81 | F57-A77 HydrophobicContact CE2-CB 3.64Å; F57-A77 HydrophobicContact CZ-CB 3.63Å; D73-A77 VanDerWaalsContact O-CB 3.27Å; D73-A77 WeakPolarHBondContact O-CB 3.49Å; D73-A77 PolarHBondContact O-N 3Å; W74-A77 PolarHBondContact O-N 2.91Å; I75-A77 VanDerWaalsContact C-N 3.31Å; I75-A77 PolarHBondContact O-N 2.8Å; A77-A81 WeakPolarHBondContact O-CB 3.47Å; A77-A81 PolarHBondContact O-N 3.37Å |
| 78 | C | 92.9 | Very high | 92.7 | Very high | 18 Ų | 18 | 72.5 Ų | 72.5 | 12% | 0.122 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -66.2 | -40.6 | 174.9 | -68.3 | 0 | 0 | 0 | 0 | 111.9 | F28 W74 I75 D76 A81 N82 | F28-C78 WeakPolarHBondContact CZ-SG 3.4Å; W74-C78 PolarHBondContact O-N 3.44Å; W74-C78 PolarHBondContact O-SG 3.22Å; I75-C78 WeakPolarHBondContact O-CB 3.44Å; I75-C78 PolarHBondContact O-N 3.26Å; D76-C78 VanDerWaalsContact C-N 3.34Å; D76-C78 PolarHBondContact O-N 3.24Å; C78-A81 PolarHBondContact O-N 3.05Å; C78-N82 PolarHBondContact O-N 3.28Å; C78-N82 PolarHBondContact O-ND2 2.92Å |
| 79 | E | 92.8 | Very high | 92.6 | Very high | 131 Ų | 131 | 73 Ų | 73 | 61% | 0.612 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -64.6 | -45.3 | 177.4 | -69.3 | -176 | 175.6 | 0 | 0 | 111.4 | I75 D76 A81 N82 | I75-E79 PolarHBondContact O-N 3.21Å; D76-E79 PolarHBondContact O-N 3.37Å; E79-A81 VanDerWaalsContact C-N 3.35Å; E79-A81 PolarHBondContact O-N 2.89Å; E79-N82 PolarHBondContact O-N 2.67Å |
| 80 | V | 93.7 | Very high | 92.5 | Very high | 101 Ų | 101 | 73.5 Ų | 73.5 | 61% | 0.612 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -63.1 | -39 | 178 | 172 | 0 | 0 | 0 | 0 | 112 | D76 N82 Q83 | D76-V80 VanDerWaalsContact O-CG2 3.31Å; D76-V80 WeakPolarHBondContact O-CG2 3.47Å; D76-V80 PolarHBondContact O-N 3.44Å; V80-N82 PolarHBondContact O-N 3.22Å; V80-Q83 PolarHBondContact O-N 3.11Å |
| 81 | A | 90.7 | Very high | 92.2 | Very high | 81 Ų | 81 | 79.2 Ų | 79.2 | 67% | 0.669 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -69.8 | -21 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | A77 C78 E79 | A77-A81 WeakPolarHBondContact O-CB 3.47Å; A77-A81 PolarHBondContact O-N 3.37Å; C78-A81 PolarHBondContact O-N 3.05Å; E79-A81 VanDerWaalsContact C-N 3.35Å; E79-A81 PolarHBondContact O-N 2.89Å |
| 82 | N | 85.3 | Confident | 91.9 | Very high | 139 Ų | 139 | 81.4 Ų | 81.4 | 74% | 0.743 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.2 | 9.1 | -179.1 | -72 | -48.9 | 0 | 0 | 0 | 113.5 | C78 E79 V80 | C78-N82 PolarHBondContact O-N 3.28Å; C78-N82 PolarHBondContact O-ND2 2.92Å; E79-N82 PolarHBondContact O-N 2.67Å; V80-N82 PolarHBondContact O-N 3.22Å |
| 83 | Q | 73.9 | Confident | 91.6 | Very high | 226 Ų | 226 | 84.2 Ų | 84.2 | 100% | 1.056 | 47% | 0.467 | S | S | * | . | trans | -90.4 | 0 | 175.7 | -164.5 | 174 | 6.9 | 0 | 0 | 111.8 | V80 | V80-Q83 PolarHBondContact O-N 3.11Š|
Retrieved 83 of 83 residues in 329 ms
(Link to these results)