| 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 | Q | 49.6 | Very low | 65.2 | Low | 247 Ų | 247 | 138.7 Ų | 138.7 | 100% | 1.154 | 68% | 0.676 | S | S | * | * | 0 | 111.5 | 0 | -106.7 | 171.1 | -10.4 | 0 | 0 | 107.4 | L3 | Q1-L3 PolarHBondContact O-N 3.35Š| |||
| 2 | I | 48.5 | Very low | 67.1 | Low | 170 Ų | 170 | 137.4 Ų | 137.4 | 87% | 0.872 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 117.8 | 175.9 | -63.4 | 169.9 | 0 | 0 | 0 | 106.6 | K4 | I2-K4 PolarHBondContact O-N 2.92Š|
| 3 | L | 56 | Low | 68.7 | Low | 138 Ų | 138 | 130.7 Ų | 130.7 | 72% | 0.723 | 64% | 0.643 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 118.1 | 175.1 | -140.8 | 82.1 | 0 | 0 | 0 | 107.1 | Q1 E5 F6 | Q1-L3 PolarHBondContact O-N 3.35Å; L3-E5 PolarHBondContact O-N 3.17Å; L3-F6 HydrophobicContact CD2-CE2 3.89Å; L3-F6 HydrophobicContact CG-CE2 4.05Å |
| 4 | K | 62.2 | Low | 70.1 | Confident | 180 Ų | 180 | 129.6 Ų | 129.6 | 78% | 0.783 | 63% | 0.629 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 128.3 | 169.6 | -83.7 | -179.5 | 173.7 | 179.9 | 0 | 107.7 | I2 F6 | I2-K4 PolarHBondContact O-N 2.92Å; K4-F6 WeakPolarHBondContact O-CD2 3.24Å; K4-F6 PolarHBondContact O-N 2.91Å; K4-F6 VanDerWaalsContact O-N 3.08Å |
| 5 | E | 61 | Low | 71.1 | Confident | 197 Ų | 197 | 126.5 Ų | 126.5 | 92% | 0.921 | 62% | 0.615 | S | S | * | * | trans | -57.8 | 113.1 | 172.8 | -164.7 | 168.4 | -167.2 | 0 | 0 | 107.8 | L3 | L3-E5 PolarHBondContact O-N 3.17Š| ||
| 6 | F | 67.2 | Low | 72 | Confident | 132 Ų | 132 | 127.1 Ų | 127.1 | 58% | 0.579 | 61% | 0.61 | S | S | * | * | trans | -78.1 | 130 | 179.2 | -64.3 | -84.6 | 0 | 0 | 0 | 108 | L3 K4 E8 L11 | L3-F6 HydrophobicContact CD2-CE2 3.89Å; L3-F6 HydrophobicContact CG-CE2 4.05Å; K4-F6 WeakPolarHBondContact O-CD2 3.24Å; K4-F6 PolarHBondContact O-N 2.91Å; K4-F6 VanDerWaalsContact O-N 3.08Å; F6-E8 PolarHBondContact O-N 3.36Å; F6-L11 HydrophobicContact CB-CD1 4.36Å | ||
| 7 | D | 69.9 | Low | 72.5 | Confident | 81 Ų | 81 | 128.6 Ų | 128.6 | 43% | 0.433 | 61% | 0.61 | S | S | . | * | trans | -68.8 | 100.1 | 171.6 | 178.6 | 6.4 | 0 | 0 | 0 | 109.5 | N9 N10 | D7-N9 PolarHBondContact O-N 2.84Å; D7-N9 VanDerWaalsContact O-N 3.09Å; D7-N9 WeakPolarHBondContact OD1-CB 3.28Å; D7-N9 PolarHBondContact OD1-N 3.07Å; D7-N9 VanDerWaalsContact OD1-N 3.13Å; D7-N9 PolarHBondContact OD1-ND2 3.31Å; D7-N10 PolarHBondContact O-N 3.11Å; D7-N10 PolarHBondContact OD2-ND2 3.3Å | ||
| 8 | E | 68.6 | Low | 73 | Confident | 79 Ų | 79 | 129.8 Ų | 129.8 | 37% | 0.369 | 61% | 0.607 | S | S | . | * | G | 310 helix | trans | -56.4 | -26.3 | -177.4 | -63.1 | -170 | 153.2 | 0 | 0 | 112.5 | F6 N10 L11 K44 S45 | F6-E8 PolarHBondContact O-N 3.36Å; E8-N10 PolarHBondContact O-N 3.3Å; E8-L11 PolarHBondContact O-N 2.97Å; E8-K44 WeakPolarHBondContact OE1-CA 3.36Å; E8-S45 PolarHBondContact OE1-N 3.31Å |
| 9 | N | 70.6 | Confident | 73.5 | Confident | 118 Ų | 118 | 125.8 Ų | 125.8 | 63% | 0.631 | 59% | 0.586 | S | S | * | * | G | 310 helix | trans | -69.5 | -24.1 | 179.8 | -63.5 | -51.9 | 0 | 0 | 0 | 113.4 | D7 K40 | D7-N9 PolarHBondContact O-N 2.84Å; D7-N9 VanDerWaalsContact O-N 3.09Å; D7-N9 WeakPolarHBondContact OD1-CB 3.28Å; D7-N9 PolarHBondContact OD1-N 3.07Å; D7-N9 VanDerWaalsContact OD1-N 3.13Å; D7-N9 PolarHBondContact OD1-ND2 3.31Å; N9-K40 PolarHBondContact O-NZ 3.31Å |
| 10 | N | 80.4 | Confident | 73.9 | Confident | 122 Ų | 122 | 127.9 Ų | 127.9 | 65% | 0.652 | 59% | 0.593 | S | S | * | * | G | 310 helix | trans | -97.2 | -3.8 | -178.9 | -77.9 | -38.4 | 0 | 0 | 0 | 113.1 | D7 E8 | D7-N10 PolarHBondContact O-N 3.11Å; D7-N10 PolarHBondContact OD2-ND2 3.3Å; E8-N10 PolarHBondContact O-N 3.3Å |
| 11 | L | 83.6 | Confident | 74.3 | Confident | 62 Ų | 62 | 123.2 Ų | 123.2 | 33% | 0.325 | 58% | 0.575 | S | S | . | * | trans | -77.2 | 136.9 | 176 | -61.3 | 178.6 | 0 | 0 | 0 | 110.9 | F6 E8 I43 | F6-L11 HydrophobicContact CB-CD1 4.36Å; E8-L11 PolarHBondContact O-N 2.97Å; L11-I43 HydrophobicContact CB-CG2 3.7Å; L11-I43 HydrophobicContact CD1-CG2 3.91Å; L11-I43 HydrophobicContact CG-CG2 4.48Å | ||
| 12 | Q | 87.5 | Confident | 76.1 | Confident | 123 Ų | 123 | 117.3 Ų | 117.3 | 58% | 0.575 | 55% | 0.55 | S | S | * | * | trans | -127.5 | 137.9 | 169.3 | -62.5 | -175.8 | 17.5 | 0 | 0 | 107.7 | W14 | Q12-W14 HydrophobicContact CB-CE3 4.27Å; Q12-W14 HydrophobicContact CB-CZ3 3.86Å | ||
| 13 | S | 87.6 | Confident | 77.9 | Confident | 50 Ų | 50 | 112 Ų | 112 | 35% | 0.35 | 52% | 0.524 | S | S | . | . | trans | -138.2 | 145.1 | 176 | -169.1 | 0 | 0 | 0 | 0 | 108.8 | I38 | S13-I38 WeakPolarHBondContact O-CB 3.49Å; S13-I38 PolarHBondContact O-N 2.93Å; S13-I38 WeakPolarHBondContact OG-CD1 3.47Å | ||
| 14 | W | 88.5 | Confident | 79.4 | Confident | 115 Ų | 115 | 116 Ų | 116 | 44% | 0.436 | 54% | 0.535 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 149.9 | 178 | 57.3 | 82.9 | 0 | 0 | 0 | 110.4 | Q12 Y16 I36 | Q12-W14 HydrophobicContact CB-CE3 4.27Å; Q12-W14 HydrophobicContact CB-CZ3 3.86Å; W14-Y16 AromaticContact CD1-CD1 3.75Å; W14-Y16 AromaticContact NE1-CD1 3.68Å; W14-I36 CarbonylContact C-O 3.48Å; W14-I36 WeakPolarHBondContact CA-O 3.38Å; W14-I36 WeakPolarHBondContact CB-O 3.3Å |
| 15 | I | 85.9 | Confident | 80.7 | Confident | 84 Ų | 84 | 115 Ų | 115 | 43% | 0.431 | 53% | 0.534 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 131 | 164.9 | -59.3 | 175.7 | 0 | 0 | 0 | 106.5 | R35 I36 F51 | I15-R35 WeakPolarHBondContact O-CA 3.35Å; I15-I36 HydrophobicContact CB-CB 4.37Å; I15-I36 PolarHBondContact N-O 2.88Å; I15-I36 PolarHBondContact O-N 3.25Å; I15-F51 HydrophobicContact CD1-CD2 3.31Å; I15-F51 HydrophobicContact CD1-CE2 3.47Å; I15-F51 VanDerWaalsContact CD1-CE2 3.47Å; I15-F51 HydrophobicContact CD1-CG 4.21Å; I15-F51 HydrophobicContact CD1-CZ 4.46Å; I15-F51 HydrophobicContact CG1-CE2 4.27Å |
| 16 | Y | 85.5 | Confident | 81.9 | Confident | 136 Ų | 136 | 111.9 Ų | 111.9 | 53% | 0.533 | 52% | 0.523 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 141.4 | 173.5 | 75.8 | -83.4 | 0 | 0 | 0 | 110 | W14 R18 | W14-Y16 AromaticContact CD1-CD1 3.75Å; W14-Y16 AromaticContact NE1-CD1 3.68Å; Y16-R18 HydrophobicContact CE2-CB 4.5Å |
| 17 | Y | 80.7 | Confident | 83 | Confident | 153 Ų | 153 | 109.2 Ų | 109.2 | 60% | 0.6 | 52% | 0.518 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 135.2 | 171.6 | -179 | -108.4 | 0 | 0 | 0 | 109.4 | Y19 Y33 | Y17-Y19 HydrophobicContact CE1-CG 4.49Å; Y17-Y33 PolarHBondContact O-N 3.49Å; Y17-Y33 VanDerWaalsContact O-N 3.12Å |
| 18 | R | 80.9 | Confident | 83.9 | Confident | 150 Ų | 150 | 108.4 Ų | 108.4 | 57% | 0.566 | 52% | 0.519 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 123.1 | 177.4 | 179.6 | -170.9 | -78.1 | -167.1 | 8.6 | 107.3 | Y16 P30 | Y16-R18 HydrophobicContact CE2-CB 4.5Å; R18-P30 HydrophobicContact CG-CB 3.64Å |
| 19 | Y | 81.6 | Confident | 84.7 | Confident | 54 Ų | 54 | 107.4 Ų | 107.4 | 21% | 0.212 | 52% | 0.517 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 160.3 | 173.5 | 63.9 | -67.2 | 0 | 0 | 0 | 109.1 | Y17 C21 P30 E31 Y33 K95 | Y17-Y19 HydrophobicContact CE1-CG 4.49Å; Y19-C21 VanDerWaalsContact CD2-SG 3.59Å; Y19-C21 WeakPolarHBondContact CE2-SG 3.36Å; Y19-P30 WeakPolarHBondContact O-CA 3.32Å; Y19-E31 HydrophobicContact CD1-CB 4.33Å; Y19-E31 VanDerWaalsContact CD1-O 3.3Å; Y19-E31 WeakPolarHBondContact CD1-O 3.48Å; Y19-E31 HydrophobicContact CE1-CB 3.73Å; Y19-E31 HydrophobicContact CE2-CB 4.41Å; Y19-E31 PolarHBondContact N-O 3.48Å; Y19-E31 PolarHBondContact O-N 3.47Å; Y19-E31 PolarHBondContact OH-OE2 2.87Å; Y19-Y33 HydrophobicContact CD1-CD2 4.44Å; Y19-Y33 AromaticContact CE1-CD2 3.95Å; Y19-Y33 HydrophobicContact CE1-CD2 3.95Å; Y19-Y33 HydrophobicContact CE1-CG 4.38Å; Y19-K95 PolarHBondContact OH-NZ 2.84Å |
| 20 | K | 83.2 | Confident | 85.2 | Confident | 166 Ų | 166 | 104.8 Ų | 104.8 | 72% | 0.722 | 51% | 0.507 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 122.2 | 177.5 | -66.4 | -178.5 | -180 | -177.8 | 0 | 108.2 | V29 | K20-V29 WeakPolarHBondContact CA-O 3.31Å |
| 21 | C | 82.5 | Confident | 84.9 | Confident | 31 Ų | 31 | 102.2 Ų | 102.2 | 21% | 0.209 | 49% | 0.491 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 155.3 | 167.3 | -67.3 | 0 | 0 | 0 | 0 | 109.2 | Y19 S28 V29 E31 | Y19-C21 VanDerWaalsContact CD2-SG 3.59Å; Y19-C21 WeakPolarHBondContact CE2-SG 3.36Å; C21-S28 CarbonylContact O-C 3.24Å; C21-S28 VanDerWaalsContact O-CA 3.31Å; C21-S28 WeakPolarHBondContact O-CA 3.35Å; C21-V29 PolarHBondContact N-O 3.35Å; C21-V29 PolarHBondContact O-N 3.03Å; C21-E31 HydrophobicContact CB-CG 4.41Å |
| 22 | L | 86.6 | Confident | 84.2 | Confident | 122 Ų | 122 | 104.2 Ų | 104.2 | 64% | 0.639 | 51% | 0.508 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 129.7 | 163.9 | -63.7 | 174.7 | 0 | 0 | 0 | 108.3 | V27 | L22-V27 WeakPolarHBondContact CA-O 3.4Å |
| 23 | D | 86.1 | Confident | 83.3 | Confident | 60 Ų | 60 | 102.9 Ų | 102.9 | 32% | 0.321 | 50% | 0.498 | S | S | . | . | trans | -77.8 | -175.7 | 170.3 | 77.3 | -3.3 | 0 | 0 | 0 | 111.5 | Q25 N26 V27 V29 | D23-Q25 PolarHBondContact O-N 3.23Å; D23-Q25 VanDerWaalsContact O-N 3.12Å; D23-Q25 VanDerWaalsContact OD1-CA 3.32Å; D23-Q25 WeakPolarHBondContact OD1-CA 3.28Å; D23-Q25 WeakPolarHBondContact OD1-CB 3.47Å; D23-Q25 PolarHBondContact OD1-N 3.47Å; D23-N26 PolarHBondContact O-N 3.32Å; D23-N26 VanDerWaalsContact O-N 3.1Å; D23-N26 PolarHBondContact OD1-N 3.35Å; D23-N26 VanDerWaalsContact OD1-N 3.16Å; D23-V27 PolarHBondContact N-O 3.42Å; D23-V27 WeakPolarHBondContact OD1-CB 3.3Å; D23-V27 PolarHBondContact OD1-N 2.86Å; D23-V29 HydrophobicContact CB-CG2 3.94Å | ||
| 24 | K | 86.8 | Confident | 82.6 | Confident | 220 Ų | 220 | 105.6 Ų | 105.6 | 96% | 0.957 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -15.2 | 178.7 | -64.4 | -175.9 | 179.8 | -179.2 | 0 | 114 | ||
| 25 | Q | 90.9 | Very high | 82.3 | Confident | 160 Ų | 160 | 109.2 Ų | 109.2 | 75% | 0.748 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.2 | 12.5 | 179.3 | -60.4 | 178.4 | 14.7 | 0 | 0 | 111.8 | D23 V27 | D23-Q25 PolarHBondContact O-N 3.23Å; D23-Q25 VanDerWaalsContact O-N 3.12Å; D23-Q25 VanDerWaalsContact OD1-CA 3.32Å; D23-Q25 WeakPolarHBondContact OD1-CA 3.28Å; D23-Q25 WeakPolarHBondContact OD1-CB 3.47Å; D23-Q25 PolarHBondContact OD1-N 3.47Å; Q25-V27 HydrophobicContact CB-CG2 4.14Å; Q25-V27 PolarHBondContact O-N 2.87Å |
| 26 | N | 85.4 | Confident | 82.3 | Confident | 132 Ų | 132 | 109.4 Ų | 109.4 | 71% | 0.706 | 52% | 0.523 | S | S | * | . | S | Bend | trans | 59.4 | 26.4 | -173.6 | -72.8 | -18.8 | 0 | 0 | 0 | 114.1 | D23 | D23-N26 PolarHBondContact O-N 3.32Å; D23-N26 VanDerWaalsContact O-N 3.1Å; D23-N26 PolarHBondContact OD1-N 3.35Å; D23-N26 VanDerWaalsContact OD1-N 3.16Å |
| 27 | V | 89.7 | Confident | 82.5 | Confident | 75 Ų | 75 | 109 Ų | 109 | 46% | 0.455 | 53% | 0.526 | S | S | . | . | trans | -91.5 | 133.6 | 174.7 | -178.3 | 0 | 0 | 0 | 0 | 109.1 | L22 D23 Q25 V29 | L22-V27 WeakPolarHBondContact CA-O 3.4Å; D23-V27 PolarHBondContact N-O 3.42Å; D23-V27 WeakPolarHBondContact OD1-CB 3.3Å; D23-V27 PolarHBondContact OD1-N 2.86Å; Q25-V27 HydrophobicContact CB-CG2 4.14Å; Q25-V27 PolarHBondContact O-N 2.87Å; V27-V29 PolarHBondContact O-N 3.45Å | ||
| 28 | S | 88.5 | Confident | 82.9 | Confident | 65 Ų | 65 | 102.4 Ų | 102.4 | 46% | 0.455 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 108 | 177.5 | 74.2 | 0 | 0 | 0 | 0 | 110.5 | C21 | C21-S28 CarbonylContact O-C 3.24Å; C21-S28 VanDerWaalsContact O-CA 3.31Å; C21-S28 WeakPolarHBondContact O-CA 3.35Å |
| 29 | V | 86.7 | Confident | 83.3 | Confident | 57 Ų | 57 | 98 Ų | 98 | 35% | 0.345 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 129.4 | 177.8 | -177.6 | 0 | 0 | 0 | 0 | 109.4 | K20 C21 D23 V27 E31 | K20-V29 WeakPolarHBondContact CA-O 3.31Å; C21-V29 PolarHBondContact N-O 3.35Å; C21-V29 PolarHBondContact O-N 3.03Å; D23-V29 HydrophobicContact CB-CG2 3.94Å; V27-V29 PolarHBondContact O-N 3.45Å; V29-E31 PolarHBondContact O-N 3.33Å |
| 30 | P | 81.4 | Confident | 83.5 | Confident | 63 Ų | 63 | 100.5 Ų | 100.5 | 41% | 0.409 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 117.1 | 173.5 | 26.3 | -30.2 | 0 | 0 | 0 | 111.3 | R18 Y19 | R18-P30 HydrophobicContact CG-CB 3.64Å; Y19-P30 WeakPolarHBondContact O-CA 3.32Å |
| 31 | E | 72.6 | Confident | 83.8 | Confident | 68 Ų | 68 | 99.7 Ų | 99.7 | 32% | 0.318 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 131.3 | 171.5 | -72.5 | -169.4 | -177.6 | 0 | 0 | 110.6 | Y19 C21 V29 Y33 K95 | Y19-E31 HydrophobicContact CD1-CB 4.33Å; Y19-E31 VanDerWaalsContact CD1-O 3.3Å; Y19-E31 WeakPolarHBondContact CD1-O 3.48Å; Y19-E31 HydrophobicContact CE1-CB 3.73Å; Y19-E31 HydrophobicContact CE2-CB 4.41Å; Y19-E31 PolarHBondContact N-O 3.48Å; Y19-E31 PolarHBondContact O-N 3.47Å; Y19-E31 PolarHBondContact OH-OE2 2.87Å; C21-E31 HydrophobicContact CB-CG 4.41Å; V29-E31 PolarHBondContact O-N 3.33Å; E31-Y33 PolarHBondContact O-N 3.34Å; E31-K95 IonicContact OE2-NZ 2.73Å; E31-K95 PolarHBondContact OE2-NZ 3.3Å |
| 32 | P | 70.5 | Confident | 84.1 | Confident | 105 Ų | 105 | 102.8 Ų | 102.8 | 68% | 0.682 | 51% | 0.511 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70 | 124.8 | 168.2 | 28.9 | -30.5 | 0 | 0 | 0 | 108.8 | ||
| 33 | Y | 67.4 | Low | 84.1 | Confident | 95 Ų | 95 | 98.2 Ų | 98.2 | 37% | 0.373 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | -59.6 | 177.7 | -177 | -105.7 | 0 | 0 | 0 | 110.8 | Y17 Y19 E31 T92 | Y17-Y33 PolarHBondContact O-N 3.49Å; Y17-Y33 VanDerWaalsContact O-N 3.12Å; Y19-Y33 HydrophobicContact CD1-CD2 4.44Å; Y19-Y33 AromaticContact CE1-CD2 3.95Å; Y19-Y33 HydrophobicContact CE1-CD2 3.95Å; Y19-Y33 HydrophobicContact CE1-CG 4.38Å; E31-Y33 PolarHBondContact O-N 3.34Å; Y33-T92 WeakPolarHBondContact OH-CA 3.43Å; Y33-T92 WeakPolarHBondContact OH-CG2 3.07Å |
| 34 | N | 74.2 | Confident | 84.1 | Confident | 107 Ų | 107 | 101 Ų | 101 | 57% | 0.572 | 50% | 0.496 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -169.3 | 160 | 170.6 | -90.1 | -37.1 | 0 | 0 | 0 | 108.4 | ||
| 35 | R | 81.4 | Confident | 84 | Confident | 191 Ų | 191 | 94.9 Ų | 94.9 | 72% | 0.721 | 48% | 0.48 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 128.6 | 173.8 | -62.7 | -174.5 | -68.2 | -152.7 | -2.1 | 109.1 | I15 | I15-R35 WeakPolarHBondContact O-CA 3.35Å |
| 36 | I | 86.2 | Confident | 83.8 | Confident | 87 Ų | 87 | 99.1 Ų | 99.1 | 45% | 0.446 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 104.7 | 169 | -56.3 | 175.1 | 0 | 0 | 0 | 106.5 | W14 I15 F51 | W14-I36 CarbonylContact C-O 3.48Å; W14-I36 WeakPolarHBondContact CA-O 3.38Å; W14-I36 WeakPolarHBondContact CB-O 3.3Å; I15-I36 HydrophobicContact CB-CB 4.37Å; I15-I36 PolarHBondContact N-O 2.88Å; I15-I36 PolarHBondContact O-N 3.25Å; I36-F51 HydrophobicContact CG2-CD1 3.93Å; I36-F51 HydrophobicContact CG2-CE1 3.38Å; I36-F51 HydrophobicContact CG2-CZ 3.79Å |
| 37 | Q | 88.8 | Confident | 83.9 | Confident | 127 Ų | 127 | 97.7 Ų | 97.7 | 59% | 0.593 | 48% | 0.481 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 128.2 | 178 | -174.1 | 173.5 | -4.2 | 0 | 0 | 109.8 | P39 | Q37-P39 VanDerWaalsContact O-CD 3.32Å; Q37-P39 WeakPolarHBondContact O-CD 3.46Å |
| 38 | I | 89.7 | Confident | 83.9 | Confident | 15 Ų | 15 | 100.6 Ų | 100.6 | 8% | 0.077 | 49% | 0.493 | C | S | . | . | P | Polyproline II helix | trans | -76.3 | 121.9 | 173.5 | -66.3 | 154 | 0 | 0 | 0 | 107.7 | S13 K40 F42 I43 V49 F51 | S13-I38 WeakPolarHBondContact O-CB 3.49Å; S13-I38 PolarHBondContact O-N 2.93Å; S13-I38 WeakPolarHBondContact OG-CD1 3.47Å; I38-K40 PolarHBondContact O-N 2.9Å; I38-F42 HydrophobicContact CG2-CB 4.16Å; I38-I43 HydrophobicContact CB-CG1 4.49Å; I38-I43 HydrophobicContact CG2-CD1 4.42Å; I38-I43 HydrophobicContact CG2-CG1 3.8Å; I38-V49 HydrophobicContact CG2-CG1 4.39Å; I38-V49 HydrophobicContact CG2-CG2 4.36Å; I38-F51 HydrophobicContact CD1-CE2 4.4Å; I38-F51 HydrophobicContact CG1-CE2 3.83Å; I38-F51 HydrophobicContact CG1-CZ 3.67Å |
| 39 | P | 88.6 | Confident | 83.9 | Confident | 58 Ų | 58 | 99.8 Ų | 99.8 | 38% | 0.377 | 49% | 0.486 | S | S | . | . | P | Polyproline II helix | trans | -55.6 | 132 | 175.7 | -26.5 | 33.6 | 0 | 0 | 0 | 111.2 | Q37 K41 F42 | Q37-P39 VanDerWaalsContact O-CD 3.32Å; Q37-P39 WeakPolarHBondContact O-CD 3.46Å; P39-K41 HydrophobicContact CB-CG 4.04Å; P39-K41 PolarHBondContact O-N 3.46Å; P39-F42 HydrophobicContact CB-CD2 3.71Å; P39-F42 HydrophobicContact CB-CE2 4.05Å; P39-F42 HydrophobicContact CG-CD2 3.79Å; P39-F42 HydrophobicContact CG-CE2 3.89Å; P39-F42 PolarHBondContact O-N 2.9Å |
| 40 | K | 87.4 | Confident | 84.1 | Confident | 107 Ų | 107 | 104.4 Ų | 104.4 | 47% | 0.465 | 50% | 0.503 | S | S | . | . | G | 310 helix | trans | -49.3 | -36.5 | -176.8 | -69.2 | -169.9 | 174 | -164.1 | 0 | 113.6 | N9 I38 F42 I43 | N9-K40 PolarHBondContact O-NZ 3.31Å; I38-K40 PolarHBondContact O-N 2.9Å; K40-F42 PolarHBondContact O-N 3.48Å; K40-I43 PolarHBondContact O-N 3.16Å |
| 41 | K | 88.1 | Confident | 84.4 | Confident | 149 Ų | 149 | 105.6 Ų | 105.6 | 65% | 0.648 | 50% | 0.502 | S | S | * | . | G | 310 helix | trans | -56.9 | -22.4 | 178 | 66.3 | 177.8 | -178 | 175.7 | 0 | 114.9 | P39 K44 | P39-K41 HydrophobicContact CB-CG 4.04Å; P39-K41 PolarHBondContact O-N 3.46Å; K41-K44 WeakPolarHBondContact O-CE 3.49Å |
| 42 | F | 88.8 | Confident | 85.1 | Confident | 96 Ų | 96 | 110.7 Ų | 110.7 | 42% | 0.421 | 53% | 0.526 | S | S | . | . | G | 310 helix | trans | -96.8 | -9.1 | 178.8 | -60.5 | -54.6 | 0 | 0 | 0 | 113.3 | I38 P39 K40 K44 V49 | I38-F42 HydrophobicContact CG2-CB 4.16Å; P39-F42 HydrophobicContact CB-CD2 3.71Å; P39-F42 HydrophobicContact CB-CE2 4.05Å; P39-F42 HydrophobicContact CG-CD2 3.79Å; P39-F42 HydrophobicContact CG-CE2 3.89Å; P39-F42 PolarHBondContact O-N 2.9Å; K40-F42 PolarHBondContact O-N 3.48Å; F42-K44 PolarHBondContact O-N 3.48Å; F42-V49 HydrophobicContact CB-CG2 3.92Å |
| 43 | I | 86.8 | Confident | 85.8 | Confident | 25 Ų | 25 | 111 Ų | 111 | 13% | 0.128 | 53% | 0.528 | C | S | . | . | trans | -85.6 | 94.9 | 179.6 | -53.3 | 177.5 | 0 | 0 | 0 | 108 | L11 I38 K40 | L11-I43 HydrophobicContact CB-CG2 3.7Å; L11-I43 HydrophobicContact CD1-CG2 3.91Å; L11-I43 HydrophobicContact CG-CG2 4.48Å; I38-I43 HydrophobicContact CB-CG1 4.49Å; I38-I43 HydrophobicContact CG2-CD1 4.42Å; I38-I43 HydrophobicContact CG2-CG1 3.8Å; K40-I43 PolarHBondContact O-N 3.16Å | ||
| 44 | K | 85.5 | Confident | 86.6 | Confident | 120 Ų | 120 | 112.5 Ų | 112.5 | 52% | 0.522 | 54% | 0.542 | S | S | . | . | trans | -139.2 | 154.5 | 179.7 | -65.8 | -178.4 | -178.8 | -176.7 | 0 | 111 | E8 K41 F42 R46 I47 | E8-K44 WeakPolarHBondContact OE1-CA 3.36Å; K41-K44 WeakPolarHBondContact O-CE 3.49Å; F42-K44 PolarHBondContact O-N 3.48Å; K44-R46 PolarHBondContact O-N 3.27Å; K44-I47 HydrophobicContact CB-CB 4.4Å; K44-I47 HydrophobicContact CB-CG1 3.69Å; K44-I47 PolarHBondContact O-N 2.93Å | ||
| 45 | S | 84.8 | Confident | 87.3 | Confident | 90 Ų | 90 | 113.7 Ų | 113.7 | 63% | 0.629 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.5 | 132.6 | 175.1 | -169.7 | 0 | 0 | 0 | 0 | 111.8 | E8 I47 | E8-S45 PolarHBondContact OE1-N 3.31Å; S45-I47 VanDerWaalsContact C-N 3.29Å; S45-I47 PolarHBondContact O-N 3.13Å |
| 46 | R | 86.5 | Confident | 87.6 | Confident | 249 Ų | 249 | 109 Ų | 109 | 94% | 0.94 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.3 | 26.3 | 178.3 | -53.1 | 178 | -179.8 | -134.5 | 0.4 | 115.5 | K44 | K44-R46 PolarHBondContact O-N 3.27Š|
| 47 | I | 88.1 | Confident | 87.9 | Confident | 103 Ų | 103 | 105.5 Ų | 105.5 | 53% | 0.528 | 52% | 0.523 | S | S | . | . | trans | -102.9 | 136.9 | 172.4 | -61.8 | -55.1 | 0 | 0 | 0 | 110.7 | K44 S45 V49 | K44-I47 HydrophobicContact CB-CB 4.4Å; K44-I47 HydrophobicContact CB-CG1 3.69Å; K44-I47 PolarHBondContact O-N 2.93Å; S45-I47 VanDerWaalsContact C-N 3.29Å; S45-I47 PolarHBondContact O-N 3.13Å; I47-V49 HydrophobicContact CG2-CG2 4.24Å | ||
| 48 | L | 89.7 | Confident | 88.2 | Confident | 136 Ų | 136 | 99.4 Ų | 99.4 | 71% | 0.712 | 50% | 0.495 | S | S | * | . | trans | -99.7 | 129.7 | 167.8 | 179.8 | 63.4 | 0 | 0 | 0 | 108.7 | E50 | L48-E50 HydrophobicContact CD2-CG 4.07Å; L48-E50 VanDerWaalsContact CD2-OE1 3.29Å; L48-E50 WeakPolarHBondContact CD2-OE1 3.35Å; L48-E50 HydrophobicContact CG-CG 4.01Å | ||
| 49 | V | 89 | Confident | 88.4 | Confident | 48 Ų | 48 | 101.9 Ų | 101.9 | 29% | 0.291 | 51% | 0.505 | S | S | . | . | trans | -111.2 | 112.7 | 174.8 | -178.2 | 0 | 0 | 0 | 0 | 107.7 | I38 F42 I47 F51 | I38-V49 HydrophobicContact CG2-CG1 4.39Å; I38-V49 HydrophobicContact CG2-CG2 4.36Å; F42-V49 HydrophobicContact CB-CG2 3.92Å; I47-V49 HydrophobicContact CG2-CG2 4.24Å; V49-F51 HydrophobicContact CG1-CD2 4.43Å; V49-F51 HydrophobicContact CG1-CE2 3.83Å; V49-F51 HydrophobicContact CG1-CZ 4.17Å | ||
| 50 | E | 90.2 | Very high | 88.7 | Confident | 154 Ų | 154 | 103.1 Ų | 103.1 | 72% | 0.72 | 51% | 0.507 | S | S | * | . | trans | -101.7 | 142.8 | 176.1 | -66.5 | -177.1 | 171.4 | 0 | 0 | 110.2 | L48 | L48-E50 HydrophobicContact CD2-CG 4.07Å; L48-E50 VanDerWaalsContact CD2-OE1 3.29Å; L48-E50 WeakPolarHBondContact CD2-OE1 3.35Å; L48-E50 HydrophobicContact CG-CG 4.01Å | ||
| 51 | F | 87.5 | Confident | 89.2 | Confident | 87 Ų | 87 | 100.6 Ų | 100.6 | 38% | 0.382 | 50% | 0.496 | S | S | . | . | trans | -113.9 | 121.9 | 175.5 | -70.5 | -94.1 | 0 | 0 | 0 | 108.4 | I15 I36 I38 V49 | I15-F51 HydrophobicContact CD1-CD2 3.31Å; I15-F51 HydrophobicContact CD1-CE2 3.47Å; I15-F51 VanDerWaalsContact CD1-CE2 3.47Å; I15-F51 HydrophobicContact CD1-CG 4.21Å; I15-F51 HydrophobicContact CD1-CZ 4.46Å; I15-F51 HydrophobicContact CG1-CE2 4.27Å; I36-F51 HydrophobicContact CG2-CD1 3.93Å; I36-F51 HydrophobicContact CG2-CE1 3.38Å; I36-F51 HydrophobicContact CG2-CZ 3.79Å; I38-F51 HydrophobicContact CD1-CE2 4.4Å; I38-F51 HydrophobicContact CG1-CE2 3.83Å; I38-F51 HydrophobicContact CG1-CZ 3.67Å; V49-F51 HydrophobicContact CG1-CD2 4.43Å; V49-F51 HydrophobicContact CG1-CE2 3.83Å; V49-F51 HydrophobicContact CG1-CZ 4.17Å | ||
| 52 | E | 89.2 | Confident | 89.5 | Confident | 175 Ų | 175 | 99.7 Ų | 99.7 | 82% | 0.818 | 50% | 0.503 | S | S | * | . | P | Polyproline II helix | trans | -88.3 | 132.2 | 170.5 | -66.6 | -179.1 | 172.6 | 0 | 0 | 109 | ||
| 53 | P | 84.8 | Confident | 89.9 | Confident | 113 Ų | 113 | 96.7 Ų | 96.7 | 73% | 0.734 | 49% | 0.494 | S | S | * | . | P | Polyproline II helix | trans | -65.3 | 139 | 173.9 | 28.4 | -32.9 | 0 | 0 | 0 | 109.3 | T55 | P53-T55 PolarHBondContact O-N 3.48Š|
| 54 | N | 83.5 | Confident | 90.4 | Very high | 125 Ų | 125 | 98.1 Ų | 98.1 | 67% | 0.668 | 50% | 0.502 | S | S | * | . | P | Polyproline II helix | trans | -58.3 | 125.4 | 171.2 | -70.2 | -7.7 | 0 | 0 | 0 | 109.1 | E56 | N54-E56 PolarHBondContact O-N 2.76Š|
| 55 | T | 88.2 | Confident | 90.9 | Very high | 132 Ų | 132 | 98.1 Ų | 98.1 | 81% | 0.81 | 50% | 0.503 | S | S | * | . | S | Bend | trans | -76.3 | -14.7 | 177.4 | 52.7 | 0 | 0 | 0 | 0 | 112.5 | P53 | P53-T55 PolarHBondContact O-N 3.48Š|
| 56 | E | 89.2 | Confident | 91.5 | Very high | 93 Ų | 93 | 96.8 Ų | 96.8 | 44% | 0.435 | 49% | 0.491 | S | S | . | . | trans | -133.7 | 133.8 | 178.1 | -61.3 | -173.7 | 154.5 | 0 | 0 | 110.8 | N54 K72 | N54-E56 PolarHBondContact O-N 2.76Å; E56-K72 IonicContact OE2-NZ 2.71Å; E56-K72 PolarHBondContact OE2-NZ 3.27Å | ||
| 57 | S | 91.6 | Very high | 92 | Very high | 13 Ų | 13 | 84.9 Ų | 84.9 | 9% | 0.091 | 45% | 0.447 | C | S | . | . | trans | -154.5 | 161.2 | 171.5 | -166.7 | 0 | 0 | 0 | 0 | 110.1 | F59 M60 | S57-F59 PolarHBondContact O-N 3.32Å; S57-F59 WeakPolarHBondContact OG-CD1 3.32Å; S57-M60 WeakPolarHBondContact O-CB 3.24Å; S57-M60 PolarHBondContact O-N 3Å | ||
| 58 | C | 95.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 84 Ų | 84 | 0% | 0 | 44% | 0.442 | C | S | . | . | G | 310 helix | trans | -57.6 | -48.7 | -179.3 | -54.6 | 0 | 0 | 0 | 0 | 111.6 | M60 K61 C77 C86 N88 | C58-M60 PolarHBondContact O-N 3.19Å; C58-K61 WeakPolarHBondContact O-CB 3.32Å; C58-K61 PolarHBondContact O-N 3.46Å; C58-C77 VanDerWaalsContact CA-SG 3.52Å; C58-C77 HydrophobicContact CB-CB 3.73Å; C58-C77 WeakPolarHBondContact CB-SG 3.34Å; C58-C77 WeakPolarHBondContact SG-CA 3.48Å; C58-C77 WeakPolarHBondContact SG-CB 3.03Å; C58-C77 CovalentContact SG-SG 2.02Å; C58-C77 PolarHBondContact SG-SG 3.25Å; C58-C86 WeakPolarHBondContact O-CB 3.36Å; C58-C86 PolarHBondContact O-SG 2.74Å; C58-N88 HydrophobicContact CB-CB 4.35Å |
| 59 | F | 94.1 | Very high | 92.7 | Very high | 66 Ų | 66 | 84 Ų | 84 | 29% | 0.289 | 44% | 0.443 | S | S | . | . | G | 310 helix | trans | -59.6 | -18.3 | -177.9 | 81.8 | -90.8 | 0 | 0 | 0 | 114.9 | S57 K61 C86 D91 T92 H93 | S57-F59 PolarHBondContact O-N 3.32Å; S57-F59 WeakPolarHBondContact OG-CD1 3.32Å; F59-K61 VanDerWaalsContact C-N 3.31Å; F59-C86 WeakPolarHBondContact CA-O 3.42Å; F59-D91 HydrophobicContact CB-CB 4.17Å; F59-D91 HydrophobicContact CD1-CB 3.89Å; F59-D91 HydrophobicContact CG-CB 4.41Å; F59-T92 WeakPolarHBondContact CB-OG1 3.04Å; F59-T92 HydrophobicContact CD2-CG2 4.4Å; F59-T92 WeakPolarHBondContact CD2-OG1 3.39Å; F59-T92 HydrophobicContact CE2-CG2 4.27Å; F59-T92 WeakPolarHBondContact CG-OG1 3.48Å; F59-T92 HydrophobicContact CZ-CG2 4.33Å; F59-H93 HydrophobicContact CB-CB 4.47Å; F59-H93 PolarHBondContact O-CE1 3.36Å |
| 60 | M | 94.9 | Very high | 93 | Very high | 85 Ų | 85 | 82.3 Ų | 82.3 | 42% | 0.419 | 43% | 0.434 | S | S | . | . | G | 310 helix | trans | -80.3 | -12.9 | 177.4 | -56.8 | -180 | -177.1 | 0 | 0 | 112.8 | S57 C58 | S57-M60 WeakPolarHBondContact O-CB 3.24Å; S57-M60 PolarHBondContact O-N 3Å; C58-M60 PolarHBondContact O-N 3.19Å |
| 61 | K | 96.5 | Very high | 93.2 | Very high | 54 Ų | 54 | 77.3 Ų | 77.3 | 24% | 0.235 | 42% | 0.416 | C | S | . | . | trans | -86.2 | 134.4 | -177.5 | -52 | -60.7 | 174.6 | 174.1 | 0 | 110.4 | C58 F59 T66 C67 A70 C86 | C58-K61 WeakPolarHBondContact O-CB 3.32Å; C58-K61 PolarHBondContact O-N 3.46Å; F59-K61 VanDerWaalsContact C-N 3.31Å; K61-T66 WeakPolarHBondContact CG-O 3.26Å; K61-C67 HydrophobicContact CB-CB 4.16Å; K61-A70 HydrophobicContact CD-CB 4.11Å; K61-A70 HydrophobicContact CG-CB 3.86Å; K61-C86 HydrophobicContact CB-CB 4.1Å | ||
| 62 | V | 95.7 | Very high | 93.4 | Very high | 130 Ų | 130 | 77.5 Ų | 77.5 | 79% | 0.788 | 42% | 0.417 | S | S | * | . | trans | -109.5 | -6.5 | -168.7 | -61.5 | 0 | 0 | 0 | 0 | 113.9 | W79 | V62-W79 WeakPolarHBondContact O-CH2 3.39Š| ||
| 63 | S | 96.9 | Very high | 93.3 | Very high | 33 Ų | 33 | 76.3 Ų | 76.3 | 23% | 0.231 | 42% | 0.424 | C | S | . | . | S | Bend | trans | -127.9 | 160.9 | 175.1 | 90.8 | 0 | 0 | 0 | 0 | 110.9 | E65 T66 C67 W79 | S63-E65 VanDerWaalsContact CB-OE2 3.3Å; S63-E65 WeakPolarHBondContact CB-OE2 2.98Å; S63-E65 PolarHBondContact OG-N 3.03Å; S63-E65 PolarHBondContact OG-OE2 3.39Å; S63-T66 PolarHBondContact N-OG1 3.37Å; S63-T66 PolarHBondContact O-OG1 2.88Å; S63-T66 WeakPolarHBondContact OG-CG2 3Å; S63-T66 PolarHBondContact OG-N 2.88Å; S63-T66 VanDerWaalsContact OG-N 3.13Å; S63-T66 PolarHBondContact OG-OG1 2.81Å; S63-C67 WeakPolarHBondContact O-CB 3.43Å; S63-C67 PolarHBondContact O-N 3.3Å; S63-W79 VanDerWaalsContact C-CZ3 3.42Å; S63-W79 WeakPolarHBondContact O-CZ3 2.97Å |
| 64 | N | 97 | Very high | 93.3 | Very high | 55 Ų | 55 | 77.3 Ų | 77.3 | 29% | 0.294 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -59.8 | -47.9 | 176.5 | -177.1 | 20.3 | 0 | 0 | 0 | 111.2 | C67 L68 W79 | N64-C67 WeakPolarHBondContact O-CB 3.42Å; N64-C67 PolarHBondContact O-N 3.28Å; N64-L68 WeakPolarHBondContact O-CG 3.23Å; N64-L68 PolarHBondContact O-N 3.43Å; N64-L68 WeakPolarHBondContact OD1-CD1 3.43Å; N64-W79 HydrophobicContact CB-CB 4.45Å; N64-W79 HydrophobicContact CB-CD2 3.93Å; N64-W79 HydrophobicContact CB-CG 3.79Å; N64-W79 WeakPolarHBondContact OD1-CB 3.33Å |
| 65 | E | 97.1 | Very high | 93.5 | Very high | 120 Ų | 120 | 72.6 Ų | 72.6 | 56% | 0.561 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -60.6 | -52.8 | -178.1 | -52.6 | 73 | -154.7 | 0 | 0 | 110.1 | S63 C67 L68 D69 | S63-E65 VanDerWaalsContact CB-OE2 3.3Å; S63-E65 WeakPolarHBondContact CB-OE2 2.98Å; S63-E65 PolarHBondContact OG-N 3.03Å; S63-E65 PolarHBondContact OG-OE2 3.39Å; E65-C67 PolarHBondContact O-N 3.37Å; E65-L68 PolarHBondContact O-N 2.97Å; E65-D69 WeakPolarHBondContact O-CB 3.34Å; E65-D69 PolarHBondContact O-N 2.85Å |
| 66 | T | 97 | Very high | 93.8 | Very high | 61 Ų | 61 | 71.5 Ų | 71.5 | 37% | 0.374 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -65.5 | -25.6 | 179.8 | 58.3 | 0 | 0 | 0 | 0 | 113.4 | K61 S63 A70 | K61-T66 WeakPolarHBondContact CG-O 3.26Å; S63-T66 PolarHBondContact N-OG1 3.37Å; S63-T66 PolarHBondContact O-OG1 2.88Å; S63-T66 WeakPolarHBondContact OG-CG2 3Å; S63-T66 PolarHBondContact OG-N 2.88Å; S63-T66 VanDerWaalsContact OG-N 3.13Å; S63-T66 PolarHBondContact OG-OG1 2.81Å; T66-A70 WeakPolarHBondContact O-CB 3.46Å; T66-A70 PolarHBondContact O-N 2.97Å |
| 67 | C | 97.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -70.8 | -51.5 | 174.3 | 177 | 0 | 0 | 0 | 0 | 111.5 | K61 S63 N64 E65 A70 C77 H78 W79 C86 | K61-C67 HydrophobicContact CB-CB 4.16Å; S63-C67 WeakPolarHBondContact O-CB 3.43Å; S63-C67 PolarHBondContact O-N 3.3Å; N64-C67 WeakPolarHBondContact O-CB 3.42Å; N64-C67 PolarHBondContact O-N 3.28Å; E65-C67 PolarHBondContact O-N 3.37Å; C67-A70 WeakPolarHBondContact O-CB 3.27Å; C67-A70 PolarHBondContact O-N 3.19Å; C67-C77 WeakPolarHBondContact O-CB 3.47Å; C67-H78 PolarHBondContact SG-O 2.99Å; C67-H78 VanDerWaalsContact SG-O 3.37Å; C67-W79 HydrophobicContact CB-CB 4.44Å; C67-W79 HydrophobicContact CB-CD2 4.5Å; C67-W79 HydrophobicContact CB-CE3 3.62Å; C67-W79 HydrophobicContact CB-CZ3 4.3Å; C67-C86 WeakPolarHBondContact CA-SG 3.45Å; C67-C86 HydrophobicContact CB-CB 3.54Å; C67-C86 WeakPolarHBondContact CB-SG 3.34Å; C67-C86 VanDerWaalsContact SG-CA 3.58Å; C67-C86 WeakPolarHBondContact SG-CB 3.21Å; C67-C86 CovalentContact SG-SG 2.01Å; C67-C86 PolarHBondContact SG-SG 3.28Å |
| 68 | L | 95.9 | Very high | 94.3 | Very high | 84 Ų | 84 | 68.8 Ų | 68.8 | 44% | 0.44 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -67.1 | -41.5 | -177.5 | -63.4 | 178.5 | 0 | 0 | 0 | 111 | N64 E65 A70 S71 | N64-L68 WeakPolarHBondContact O-CG 3.23Å; N64-L68 PolarHBondContact O-N 3.43Å; N64-L68 WeakPolarHBondContact OD1-CD1 3.43Å; E65-L68 PolarHBondContact O-N 2.97Å; L68-A70 PolarHBondContact O-N 2.98Å; L68-S71 VanDerWaalsContact O-CB 3.29Å; L68-S71 WeakPolarHBondContact O-CB 3.32Å; L68-S71 PolarHBondContact O-N 3.4Å; L68-S71 VanDerWaalsContact O-N 3.1Å; L68-S71 PolarHBondContact O-OG 2.88Å |
| 69 | D | 96 | Very high | 94.4 | Very high | 136 Ų | 136 | 70.7 Ų | 70.7 | 73% | 0.727 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -22.4 | 176.4 | -70.4 | -11.4 | 0 | 0 | 0 | 113.1 | E65 S71 | E65-D69 WeakPolarHBondContact O-CB 3.34Å; E65-D69 PolarHBondContact O-N 2.85Å; D69-S71 PolarHBondContact O-N 3.5Å |
| 70 | A | 95.1 | Very high | 94.5 | Very high | 12 Ų | 12 | 67.6 Ų | 67.6 | 10% | 0.099 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -6.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | K61 T66 C67 L68 | K61-A70 HydrophobicContact CD-CB 4.11Å; K61-A70 HydrophobicContact CG-CB 3.86Å; T66-A70 WeakPolarHBondContact O-CB 3.46Å; T66-A70 PolarHBondContact O-N 2.97Å; C67-A70 WeakPolarHBondContact O-CB 3.27Å; C67-A70 PolarHBondContact O-N 3.19Å; L68-A70 PolarHBondContact O-N 2.98Å |
| 71 | S | 94.3 | Very high | 94.5 | Very high | 49 Ų | 49 | 69.8 Ų | 69.8 | 34% | 0.343 | 38% | 0.376 | S | S | . | . | trans | -66 | 132.8 | 179.8 | -61.1 | 0 | 0 | 0 | 0 | 111.5 | L68 D69 M75 C77 | L68-S71 VanDerWaalsContact O-CB 3.29Å; L68-S71 WeakPolarHBondContact O-CB 3.32Å; L68-S71 PolarHBondContact O-N 3.4Å; L68-S71 VanDerWaalsContact O-N 3.1Å; L68-S71 PolarHBondContact O-OG 2.88Å; D69-S71 PolarHBondContact O-N 3.5Å; S71-M75 CarbonylContact C-O 3.52Å; S71-M75 WeakPolarHBondContact CA-O 3.36Å; S71-C77 WeakPolarHBondContact OG-CB 3.29Å; S71-C77 PolarHBondContact OG-N 2.84Å; S71-C77 PolarHBondContact OG-O 3.31Å | ||
| 72 | K | 91.5 | Very high | 94.4 | Very high | 92 Ų | 92 | 72.3 Ų | 72.3 | 40% | 0.4 | 40% | 0.396 | S | S | . | . | B | Isolated β-bridge | trans | -128 | 162.1 | 178.3 | -63.9 | 176.9 | -170.8 | 176.5 | 0 | 109.5 | E56 D74 M75 | E56-K72 IonicContact OE2-NZ 2.71Å; E56-K72 PolarHBondContact OE2-NZ 3.27Å; K72-D74 WeakPolarHBondContact CB-OD1 3.47Å; K72-D74 PolarHBondContact O-N 3.02Å; K72-M75 PolarHBondContact N-O 3.32Å; K72-M75 CarbonylContact O-C 3.59Å; K72-M75 VanDerWaalsContact O-C 3.24Å; K72-M75 PolarHBondContact O-N 3.5Å; K72-M75 VanDerWaalsContact O-O 3.13Å |
| 73 | P | 88.1 | Confident | 94.3 | Very high | 149 Ų | 149 | 67.3 Ų | 67.3 | 97% | 0.968 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | -26.4 | -178.6 | -28.7 | 36.2 | 0 | 0 | 0 | 115.4 | ||
| 74 | D | 84.3 | Confident | 94.3 | Very high | 135 Ų | 135 | 71.5 Ų | 71.5 | 72% | 0.722 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.1 | -8.3 | 179.5 | 63.5 | -37 | 0 | 0 | 0 | 114.1 | K72 | K72-D74 WeakPolarHBondContact CB-OD1 3.47Å; K72-D74 PolarHBondContact O-N 3.02Å |
| 75 | M | 88.3 | Confident | 94.3 | Very high | 26 Ų | 26 | 69.9 Ų | 69.9 | 13% | 0.128 | 38% | 0.379 | C | S | . | . | B | Isolated β-bridge | trans | -145.1 | 93.6 | -177.9 | -177.1 | -178 | 75.8 | 0 | 0 | 109.9 | S71 K72 N88 | S71-M75 CarbonylContact C-O 3.52Å; S71-M75 WeakPolarHBondContact CA-O 3.36Å; K72-M75 PolarHBondContact N-O 3.32Å; K72-M75 CarbonylContact O-C 3.59Å; K72-M75 VanDerWaalsContact O-C 3.24Å; K72-M75 PolarHBondContact O-N 3.5Å; K72-M75 VanDerWaalsContact O-O 3.13Å; M75-N88 HydrophobicContact CG-CB 4.38Å |
| 76 | E | 93.1 | Very high | 94.3 | Very high | 108 Ų | 108 | 64.2 Ų | 64.2 | 51% | 0.505 | 35% | 0.353 | S | S | . | . | trans | -82.8 | 124.3 | 174.5 | -162.7 | 175 | 172.7 | 0 | 0 | 109.8 | H78 N88 | E76-H78 IonicContact OE1-CE1 3.34Å; E76-H78 PolarHBondContact OE1-CE1 3.4Å; E76-H78 IonicContact OE1-NE2 3.84Å; E76-N88 WeakPolarHBondContact O-CA 3.29Å; E76-N88 WeakPolarHBondContact O-CB 3.17Å | ||
| 77 | C | 95.2 | Very high | 94.2 | Very high | 2 Ų | 2 | 61.3 Ų | 61.3 | 1% | 0.014 | 34% | 0.335 | C | S | . | . | trans | -103.2 | 137.9 | 178.8 | -60.9 | 0 | 0 | 0 | 0 | 110.3 | C58 C67 S71 | C58-C77 VanDerWaalsContact CA-SG 3.52Å; C58-C77 HydrophobicContact CB-CB 3.73Å; C58-C77 WeakPolarHBondContact CB-SG 3.34Å; C58-C77 WeakPolarHBondContact SG-CA 3.48Å; C58-C77 WeakPolarHBondContact SG-CB 3.03Å; C58-C77 CovalentContact SG-SG 2.02Å; C58-C77 PolarHBondContact SG-SG 3.25Å; C67-C77 WeakPolarHBondContact O-CB 3.47Å; S71-C77 WeakPolarHBondContact OG-CB 3.29Å; S71-C77 PolarHBondContact OG-N 2.84Å; S71-C77 PolarHBondContact OG-O 3.31Å | ||
| 78 | H | 96.3 | Very high | 93.9 | Very high | 48 Ų | 48 | 62.7 Ų | 62.7 | 22% | 0.222 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 140.9 | 176.7 | -56 | -85.2 | 0 | 0 | 0 | 110.2 | C67 E76 C86 S87 W97 I105 | C67-H78 PolarHBondContact SG-O 2.99Å; C67-H78 VanDerWaalsContact SG-O 3.37Å; E76-H78 IonicContact OE1-CE1 3.34Å; E76-H78 PolarHBondContact OE1-CE1 3.4Å; E76-H78 IonicContact OE1-NE2 3.84Å; H78-C86 WeakPolarHBondContact O-CA 3.35Å; H78-S87 PolarHBondContact N-O 3.17Å; H78-S87 PolarHBondContact O-N 2.96Å; H78-W97 HydrophobicContact CB-CH2 3.58Å; H78-W97 HydrophobicContact CB-CZ2 4.12Å; H78-W97 HydrophobicContact CB-CZ3 4.4Å; H78-W97 WeakPolarHBondContact O-CH2 3.35Å; H78-W97 VanDerWaalsContact O-CZ3 3.26Å; H78-W97 WeakPolarHBondContact O-CZ3 3.44Å; H78-I105 HydrophobicContact CB-CD1 3.99Å; H78-I105 HydrophobicContact CB-CG1 4.09Å; H78-I105 VanDerWaalsContact CD2-CG2 3.43Å; H78-I105 WeakPolarHBondContact CD2-CG2 3.18Å; H78-I105 WeakPolarHBondContact NE2-CG2 3.4Å |
| 79 | W | 97 | Very high | 93.6 | Very high | 39 Ų | 39 | 59.5 Ų | 59.5 | 15% | 0.148 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 131.4 | 174 | -174.2 | -105.2 | 0 | 0 | 0 | 110.6 | V62 S63 N64 C67 N84 C86 | V62-W79 WeakPolarHBondContact O-CH2 3.39Å; S63-W79 VanDerWaalsContact C-CZ3 3.42Å; S63-W79 WeakPolarHBondContact O-CZ3 2.97Å; N64-W79 HydrophobicContact CB-CB 4.45Å; N64-W79 HydrophobicContact CB-CD2 3.93Å; N64-W79 HydrophobicContact CB-CG 3.79Å; N64-W79 WeakPolarHBondContact OD1-CB 3.33Å; C67-W79 HydrophobicContact CB-CB 4.44Å; C67-W79 HydrophobicContact CB-CD2 4.5Å; C67-W79 HydrophobicContact CB-CE3 3.62Å; C67-W79 HydrophobicContact CB-CZ3 4.3Å; W79-N84 HydrophobicContact CZ2-CB 4.36Å; W79-C86 HydrophobicContact CE3-CB 3.79Å; W79-C86 HydrophobicContact CZ3-CB 3.95Å |
| 80 | C | 96.8 | Very high | 93.1 | Very high | 2 Ų | 2 | 58.6 Ų | 58.6 | 1% | 0.014 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 108 | 170.7 | -179.6 | 0 | 0 | 0 | 0 | 110.9 | T82 A83 N84 L85 W97 C102 | C80-T82 VanDerWaalsContact C-N 3.34Å; C80-T82 PolarHBondContact O-N 3.34Å; C80-A83 HydrophobicContact CB-CB 4.12Å; C80-A83 PolarHBondContact O-N 3.06Å; C80-N84 WeakPolarHBondContact O-CA 3.17Å; C80-N84 PolarHBondContact O-N 3.24Å; C80-L85 HydrophobicContact CB-CD1 4.44Å; C80-L85 PolarHBondContact N-O 2.01Å; C80-L85 PolarHBondContact O-N 3.5Å; C80-W97 HydrophobicContact CB-CD2 4.37Å; C80-W97 HydrophobicContact CB-CE3 3.82Å; C80-W97 HydrophobicContact CB-CH2 3.63Å; C80-W97 HydrophobicContact CB-CZ2 4.19Å; C80-W97 HydrophobicContact CB-CZ3 3.44Å; C80-W97 VanDerWaalsContact CB-CZ3 3.44Å; C80-C102 HydrophobicContact CB-CB 3.7Å; C80-C102 WeakPolarHBondContact CB-SG 3.3Å; C80-C102 WeakPolarHBondContact SG-CB 2.97Å; C80-C102 CovalentContact SG-SG 2.01Å; C80-C102 PolarHBondContact SG-SG 2.91Å |
| 81 | L | 95 | Very high | 92.8 | Very high | 130 Ų | 130 | 58.5 Ų | 58.5 | 68% | 0.681 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -42.6 | 177.3 | -69.6 | 167.2 | 0 | 0 | 0 | 112.5 | A83 N84 | L81-A83 VanDerWaalsContact C-N 3.26Å; L81-A83 PolarHBondContact O-N 3.45Å; L81-N84 PolarHBondContact O-N 2.99Å; L81-N84 PolarHBondContact O-OD1 3.18Å |
| 82 | T | 93.9 | Very high | 92.4 | Very high | 108 Ų | 108 | 59.2 Ų | 59.2 | 66% | 0.663 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -31 | -178.7 | -47.7 | 0 | 0 | 0 | 0 | 113 | C80 | C80-T82 VanDerWaalsContact C-N 3.34Å; C80-T82 PolarHBondContact O-N 3.34Å |
| 83 | A | 94.9 | Very high | 92.5 | Very high | 24 Ų | 24 | 57.3 Ų | 57.3 | 20% | 0.198 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.7 | -10.8 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | C80 L81 L85 K100 | C80-A83 HydrophobicContact CB-CB 4.12Å; C80-A83 PolarHBondContact O-N 3.06Å; L81-A83 VanDerWaalsContact C-N 3.26Å; L81-A83 PolarHBondContact O-N 3.45Å; A83-L85 VanDerWaalsContact C-N 3.29Å; A83-L85 HydrophobicContact CB-CD1 4.43Å; A83-L85 HydrophobicContact CB-CD2 3.79Å; A83-L85 HydrophobicContact CB-CG 3.67Å; A83-L85 PolarHBondContact O-N 2.8Å; A83-K100 HydrophobicContact CB-CB 3.7Å; A83-K100 HydrophobicContact CB-CG 3.85Å |
| 84 | N | 96.2 | Very high | 92.5 | Very high | 121 Ų | 121 | 52 Ų | 52 | 65% | 0.647 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.7 | 48.4 | -172 | -70 | -43.8 | 0 | 0 | 0 | 112.9 | W79 C80 L81 | W79-N84 HydrophobicContact CZ2-CB 4.36Å; C80-N84 WeakPolarHBondContact O-CA 3.17Å; C80-N84 PolarHBondContact O-N 3.24Å; L81-N84 PolarHBondContact O-N 2.99Å; L81-N84 PolarHBondContact O-OD1 3.18Å |
| 85 | L | 96.4 | Very high | 92.6 | Very high | 22 Ų | 22 | 50.5 Ų | 50.5 | 12% | 0.115 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 155.1 | 179 | 62.8 | 76.2 | 0 | 0 | 0 | 111.8 | C80 A83 H93 A96 W97 | C80-L85 HydrophobicContact CB-CD1 4.44Å; C80-L85 PolarHBondContact N-O 2.01Å; C80-L85 PolarHBondContact O-N 3.5Å; A83-L85 VanDerWaalsContact C-N 3.29Å; A83-L85 HydrophobicContact CB-CD1 4.43Å; A83-L85 HydrophobicContact CB-CD2 3.79Å; A83-L85 HydrophobicContact CB-CG 3.67Å; A83-L85 PolarHBondContact O-N 2.8Å; L85-H93 HydrophobicContact CD1-CB 3.94Å; L85-H93 HydrophobicContact CD2-CB 4.43Å; L85-A96 HydrophobicContact CD2-CB 3.81Å; L85-W97 HydrophobicContact CD1-CE3 3.51Å; L85-W97 HydrophobicContact CD1-CZ3 4Å |
| 86 | C | 97 | Very high | 92.8 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 142.4 | 174.5 | -172.2 | 0 | 0 | 0 | 0 | 110.5 | C58 F59 K61 C67 H78 W79 H93 | C58-C86 WeakPolarHBondContact O-CB 3.36Å; C58-C86 PolarHBondContact O-SG 2.74Å; F59-C86 WeakPolarHBondContact CA-O 3.42Å; K61-C86 HydrophobicContact CB-CB 4.1Å; C67-C86 WeakPolarHBondContact CA-SG 3.45Å; C67-C86 HydrophobicContact CB-CB 3.54Å; C67-C86 WeakPolarHBondContact CB-SG 3.34Å; C67-C86 VanDerWaalsContact SG-CA 3.58Å; C67-C86 WeakPolarHBondContact SG-CB 3.21Å; C67-C86 CovalentContact SG-SG 2.01Å; C67-C86 PolarHBondContact SG-SG 3.28Å; H78-C86 WeakPolarHBondContact O-CA 3.35Å; W79-C86 HydrophobicContact CE3-CB 3.79Å; W79-C86 HydrophobicContact CZ3-CB 3.95Å; C86-H93 PolarHBondContact O-ND1 2.85Å |
| 87 | S | 95.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 153.4 | 174.3 | -172.5 | 0 | 0 | 0 | 0 | 112.6 | H78 G89 D91 W97 | H78-S87 PolarHBondContact N-O 3.17Å; H78-S87 PolarHBondContact O-N 2.96Å; S87-G89 PolarHBondContact OG-N 3.1Å; S87-D91 WeakPolarHBondContact CA-OD2 3.14Å; S87-D91 VanDerWaalsContact OG-CG 3.25Å; S87-D91 PolarHBondContact OG-OD1 3.12Å; S87-D91 PolarHBondContact OG-OD2 2.95Å; S87-W97 VanDerWaalsContact CB-CE3 3.42Å |
| 88 | N | 92.2 | Very high | 92.6 | Very high | 29 Ų | 29 | 53.4 Ų | 53.4 | 16% | 0.155 | 28% | 0.283 | C | S | . | . | trans | -96.9 | 10.4 | 164.2 | 65 | 12.5 | 0 | 0 | 0 | 113.6 | C58 M75 E76 R90 D91 | C58-N88 HydrophobicContact CB-CB 4.35Å; M75-N88 HydrophobicContact CG-CB 4.38Å; E76-N88 WeakPolarHBondContact O-CA 3.29Å; E76-N88 WeakPolarHBondContact O-CB 3.17Å; N88-R90 PolarHBondContact O-N 3.33Å; N88-R90 WeakPolarHBondContact OD1-CA 3.44Å; N88-R90 PolarHBondContact OD1-N 3.48Å; N88-D91 PolarHBondContact N-OD2 2.73Å; N88-D91 WeakPolarHBondContact OD1-CB 3.16Å; N88-D91 PolarHBondContact OD1-N 3.16Å; N88-D91 PolarHBondContact OD1-OD2 2.75Å | ||
| 89 | G | 88.5 | Confident | 92.4 | Very high | 18 Ų | 18 | 57.3 Ų | 57.3 | 19% | 0.186 | 30% | 0.304 | C | S | . | . | S | Bend | trans | 77.2 | -7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | S87 S94 | S87-G89 PolarHBondContact OG-N 3.1Å; G89-S94 WeakPolarHBondContact O-CB 3.44Å |
| 90 | R | 85.3 | Confident | 92.2 | Very high | 116 Ų | 116 | 60.9 Ų | 60.9 | 44% | 0.438 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -125.5 | -1.2 | -179.1 | -71 | -178.6 | -85.3 | -171.5 | -12.1 | 114 | N88 K108 | N88-R90 PolarHBondContact O-N 3.33Å; N88-R90 WeakPolarHBondContact OD1-CA 3.44Å; N88-R90 PolarHBondContact OD1-N 3.48Å; R90-K108 PolarHBondContact NH2-O 2.82Å |
| 91 | D | 88.4 | Confident | 92 | Very high | 11 Ų | 11 | 67.7 Ų | 67.7 | 6% | 0.059 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -89.4 | -172.3 | 178.5 | 60.1 | 34.7 | 0 | 0 | 0 | 112.9 | F59 S87 N88 H93 S94 | F59-D91 HydrophobicContact CB-CB 4.17Å; F59-D91 HydrophobicContact CD1-CB 3.89Å; F59-D91 HydrophobicContact CG-CB 4.41Å; S87-D91 WeakPolarHBondContact CA-OD2 3.14Å; S87-D91 VanDerWaalsContact OG-CG 3.25Å; S87-D91 PolarHBondContact OG-OD1 3.12Å; S87-D91 PolarHBondContact OG-OD2 2.95Å; N88-D91 PolarHBondContact N-OD2 2.73Å; N88-D91 WeakPolarHBondContact OD1-CB 3.16Å; N88-D91 PolarHBondContact OD1-N 3.16Å; N88-D91 PolarHBondContact OD1-OD2 2.75Å; D91-H93 PolarHBondContact O-N 2.9Å; D91-H93 VanDerWaalsContact O-N 3.16Å; D91-H93 WeakPolarHBondContact OD1-CB 3.39Å; D91-H93 PolarHBondContact OD1-N 2.87Å; D91-S94 VanDerWaalsContact O-CB 3.27Å; D91-S94 WeakPolarHBondContact O-CB 3.41Å; D91-S94 PolarHBondContact O-N 2.98Å; D91-S94 VanDerWaalsContact O-N 3.09Å; D91-S94 PolarHBondContact O-OG 2.97Å |
| 92 | T | 87.5 | Confident | 92 | Very high | 63 Ų | 63 | 62.2 Ų | 62.2 | 39% | 0.387 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -26.1 | 179.6 | 52.7 | 0 | 0 | 0 | 0 | 113 | Y33 F59 | Y33-T92 WeakPolarHBondContact OH-CA 3.43Å; Y33-T92 WeakPolarHBondContact OH-CG2 3.07Å; F59-T92 WeakPolarHBondContact CB-OG1 3.04Å; F59-T92 HydrophobicContact CD2-CG2 4.4Å; F59-T92 WeakPolarHBondContact CD2-OG1 3.39Å; F59-T92 HydrophobicContact CE2-CG2 4.27Å; F59-T92 WeakPolarHBondContact CG-OG1 3.48Å; F59-T92 HydrophobicContact CZ-CG2 4.33Å |
| 93 | H | 92 | Very high | 91.8 | Very high | 52 Ų | 52 | 61.6 Ų | 61.6 | 24% | 0.241 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -5.6 | -179.3 | -70 | 173.1 | 0 | 0 | 0 | 113.5 | F59 L85 C86 D91 K95 A96 W97 | F59-H93 HydrophobicContact CB-CB 4.47Å; F59-H93 PolarHBondContact O-CE1 3.36Å; L85-H93 HydrophobicContact CD1-CB 3.94Å; L85-H93 HydrophobicContact CD2-CB 4.43Å; C86-H93 PolarHBondContact O-ND1 2.85Å; D91-H93 PolarHBondContact O-N 2.9Å; D91-H93 VanDerWaalsContact O-N 3.16Å; D91-H93 WeakPolarHBondContact OD1-CB 3.39Å; D91-H93 PolarHBondContact OD1-N 2.87Å; H93-K95 VanDerWaalsContact C-N 3.32Å; H93-K95 PolarHBondContact O-N 3.36Å; H93-A96 PolarHBondContact O-N 3.47Å; H93-W97 WeakPolarHBondContact O-CB 3.46Å; H93-W97 PolarHBondContact O-N 3.41Å |
| 94 | S | 88.4 | Confident | 91.5 | Very high | 37 Ų | 37 | 70.1 Ų | 70.1 | 26% | 0.259 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -51.5 | -44.2 | -180 | 54.8 | 0 | 0 | 0 | 0 | 114 | G89 D91 W97 M98 | G89-S94 WeakPolarHBondContact O-CB 3.44Å; D91-S94 VanDerWaalsContact O-CB 3.27Å; D91-S94 WeakPolarHBondContact O-CB 3.41Å; D91-S94 PolarHBondContact O-N 2.98Å; D91-S94 VanDerWaalsContact O-N 3.09Å; D91-S94 PolarHBondContact O-OG 2.97Å; S94-W97 WeakPolarHBondContact O-CB 3.19Å; S94-M98 WeakPolarHBondContact O-CG 3.46Å; S94-M98 PolarHBondContact O-N 3.37Å |
| 95 | K | 87.3 | Confident | 91.1 | Very high | 105 Ų | 105 | 65.3 Ų | 65.3 | 46% | 0.457 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -64.7 | -47.3 | 175.6 | -72.6 | -173.8 | 173.4 | -173.1 | 0 | 112.1 | Y19 E31 H93 W97 M98 I99 | Y19-K95 PolarHBondContact OH-NZ 2.84Å; E31-K95 IonicContact OE2-NZ 2.73Å; E31-K95 PolarHBondContact OE2-NZ 3.3Å; H93-K95 VanDerWaalsContact C-N 3.32Å; H93-K95 PolarHBondContact O-N 3.36Å; K95-W97 VanDerWaalsContact C-N 3.31Å; K95-W97 PolarHBondContact O-N 3.33Å; K95-M98 PolarHBondContact O-N 2.99Å; K95-I99 VanDerWaalsContact O-CG1 3.3Å; K95-I99 WeakPolarHBondContact O-CG1 3.31Å; K95-I99 PolarHBondContact O-N 3.23Å |
| 96 | A | 91.2 | Very high | 90.1 | Very high | 36 Ų | 36 | 71 Ų | 71 | 30% | 0.298 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -63.5 | -38.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | L85 H93 M98 I99 K100 | L85-A96 HydrophobicContact CD2-CB 3.81Å; H93-A96 PolarHBondContact O-N 3.47Å; A96-M98 PolarHBondContact O-N 3.25Å; A96-I99 PolarHBondContact O-N 3.21Å; A96-K100 WeakPolarHBondContact O-CB 3.14Å; A96-K100 WeakPolarHBondContact O-CG 3.42Å; A96-K100 PolarHBondContact O-N 3.1Å |
| 97 | W | 93.4 | Very high | 88.5 | Confident | 14 Ų | 14 | 75.3 Ų | 75.3 | 5% | 0.053 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -55.7 | -48.3 | 174.5 | -169.6 | -80.9 | 0 | 0 | 0 | 111.7 | H78 C80 L85 S87 H93 S94 K95 N101 C102 P103 I105 | H78-W97 HydrophobicContact CB-CH2 3.58Å; H78-W97 HydrophobicContact CB-CZ2 4.12Å; H78-W97 HydrophobicContact CB-CZ3 4.4Å; H78-W97 WeakPolarHBondContact O-CH2 3.35Å; H78-W97 VanDerWaalsContact O-CZ3 3.26Å; H78-W97 WeakPolarHBondContact O-CZ3 3.44Å; C80-W97 HydrophobicContact CB-CD2 4.37Å; C80-W97 HydrophobicContact CB-CE3 3.82Å; C80-W97 HydrophobicContact CB-CH2 3.63Å; C80-W97 HydrophobicContact CB-CZ2 4.19Å; C80-W97 HydrophobicContact CB-CZ3 3.44Å; C80-W97 VanDerWaalsContact CB-CZ3 3.44Å; L85-W97 HydrophobicContact CD1-CE3 3.51Å; L85-W97 HydrophobicContact CD1-CZ3 4Å; S87-W97 VanDerWaalsContact CB-CE3 3.42Å; H93-W97 WeakPolarHBondContact O-CB 3.46Å; H93-W97 PolarHBondContact O-N 3.41Å; S94-W97 WeakPolarHBondContact O-CB 3.19Å; K95-W97 VanDerWaalsContact C-N 3.31Å; K95-W97 PolarHBondContact O-N 3.33Å; W97-N101 PolarHBondContact O-N 2.84Å; W97-C102 HydrophobicContact CD2-CB 3.56Å; W97-C102 HydrophobicContact CE3-CB 4.3Å; W97-C102 HydrophobicContact CG-CB 3.69Å; W97-C102 HydrophobicContact CZ2-CB 3.81Å; W97-C102 VanDerWaalsContact NE1-CB 3.29Å; W97-C102 WeakPolarHBondContact O-CB 3.49Å; W97-C102 PolarHBondContact O-N 3.16Å; W97-C102 VanDerWaalsContact O-N 3.13Å; W97-C102 PolarHBondContact O-SG 2.01Å; W97-P103 PolarHBondContact NE1-O 2.02Å; W97-I105 HydrophobicContact CD2-CD1 3.98Å; W97-I105 HydrophobicContact CE3-CD1 4.32Å; W97-I105 HydrophobicContact CH2-CD1 3.93Å; W97-I105 HydrophobicContact CH2-CG1 4.37Å; W97-I105 HydrophobicContact CZ2-CD1 3.54Å; W97-I105 HydrophobicContact CZ2-CG1 3.63Å; W97-I105 HydrophobicContact CZ3-CD1 4.29Å |
| 98 | M | 90.6 | Very high | 86.9 | Confident | 147 Ų | 147 | 82.5 Ų | 82.5 | 72% | 0.724 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -66.2 | -47.1 | 176.6 | -68.8 | 179.2 | 73.5 | 0 | 0 | 112.3 | S94 K95 A96 K100 N101 | S94-M98 WeakPolarHBondContact O-CG 3.46Å; S94-M98 PolarHBondContact O-N 3.37Å; K95-M98 PolarHBondContact O-N 2.99Å; A96-M98 PolarHBondContact O-N 3.25Å; M98-K100 VanDerWaalsContact C-N 3.25Å; M98-K100 PolarHBondContact O-N 3.03Å; M98-N101 PolarHBondContact O-N 2.83Å; M98-N101 VanDerWaalsContact O-N 3.16Å |
| 99 | I | 92.1 | Very high | 85.3 | Confident | 129 Ų | 129 | 85.7 Ų | 85.7 | 66% | 0.662 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -62 | -35 | -178 | -69.7 | 166.5 | 0 | 0 | 0 | 111.6 | K95 A96 N101 | K95-I99 VanDerWaalsContact O-CG1 3.3Å; K95-I99 WeakPolarHBondContact O-CG1 3.31Å; K95-I99 PolarHBondContact O-N 3.23Å; A96-I99 PolarHBondContact O-N 3.21Å; I99-N101 VanDerWaalsContact C-N 3.29Å; I99-N101 PolarHBondContact O-N 2.92Å |
| 100 | K | 94.1 | Very high | 83.7 | Confident | 115 Ų | 115 | 92.6 Ų | 92.6 | 50% | 0.5 | 47% | 0.47 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | 10.8 | -178.9 | -64.6 | -66.5 | -172.8 | 175.8 | 0 | 113.9 | A83 A96 M98 C102 | A83-K100 HydrophobicContact CB-CB 3.7Å; A83-K100 HydrophobicContact CB-CG 3.85Å; A96-K100 WeakPolarHBondContact O-CB 3.14Å; A96-K100 WeakPolarHBondContact O-CG 3.42Å; A96-K100 PolarHBondContact O-N 3.1Å; M98-K100 VanDerWaalsContact C-N 3.25Å; M98-K100 PolarHBondContact O-N 3.03Å; K100-C102 PolarHBondContact O-N 3.21Å |
| 101 | N | 92.1 | Very high | 82.4 | Confident | 145 Ų | 145 | 95.2 Ų | 95.2 | 78% | 0.775 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.7 | 39.2 | 178 | -60.5 | -50.3 | 0 | 0 | 0 | 113.2 | W97 M98 I99 | W97-N101 PolarHBondContact O-N 2.84Å; M98-N101 PolarHBondContact O-N 2.83Å; M98-N101 VanDerWaalsContact O-N 3.16Å; I99-N101 VanDerWaalsContact C-N 3.29Å; I99-N101 PolarHBondContact O-N 2.92Å |
| 102 | C | 94.5 | Very high | 81.2 | Confident | 14 Ų | 14 | 100.1 Ų | 100.1 | 10% | 0.095 | 51% | 0.511 | C | S | . | . | P | Polyproline II helix | trans | -68 | 153.4 | 173.1 | -59.1 | 0 | 0 | 0 | 0 | 110.6 | C80 W97 K100 | C80-C102 HydrophobicContact CB-CB 3.7Å; C80-C102 WeakPolarHBondContact CB-SG 3.3Å; C80-C102 WeakPolarHBondContact SG-CB 2.97Å; C80-C102 CovalentContact SG-SG 2.01Å; C80-C102 PolarHBondContact SG-SG 2.91Å; W97-C102 HydrophobicContact CD2-CB 3.56Å; W97-C102 HydrophobicContact CE3-CB 4.3Å; W97-C102 HydrophobicContact CG-CB 3.69Å; W97-C102 HydrophobicContact CZ2-CB 3.81Å; W97-C102 VanDerWaalsContact NE1-CB 3.29Å; W97-C102 WeakPolarHBondContact O-CB 3.49Å; W97-C102 PolarHBondContact O-N 3.16Å; W97-C102 VanDerWaalsContact O-N 3.13Å; W97-C102 PolarHBondContact O-SG 2.01Å; K100-C102 PolarHBondContact O-N 3.21Å |
| 103 | P | 91.6 | Very high | 80.3 | Confident | 95 Ų | 95 | 104.3 Ų | 104.3 | 62% | 0.617 | 52% | 0.521 | S | S | * | . | P | Polyproline II helix | trans | -53.7 | 143.2 | 177.7 | -25.6 | 34.6 | 0 | 0 | 0 | 111.9 | W97 I105 | W97-P103 PolarHBondContact NE1-O 2.02Å; P103-I105 PolarHBondContact O-N 3.33Å |
| 104 | K | 88.3 | Confident | 79.6 | Confident | 203 Ų | 203 | 106.2 Ų | 106.2 | 88% | 0.883 | 53% | 0.533 | S | S | * | . | P | Polyproline II helix | trans | -62.4 | 127.9 | 177.5 | -69.9 | -176.7 | 179.6 | 177.8 | 0 | 109.3 | ||
| 105 | I | 86.9 | Confident | 79.1 | Confident | 21 Ų | 21 | 113.7 Ų | 113.7 | 11% | 0.108 | 56% | 0.556 | C | S | . | * | P | Polyproline II helix | trans | -82.5 | 125.1 | 171 | -65 | 169.1 | 0 | 0 | 0 | 107.2 | H78 W97 P103 N107 | H78-I105 HydrophobicContact CB-CD1 3.99Å; H78-I105 HydrophobicContact CB-CG1 4.09Å; H78-I105 VanDerWaalsContact CD2-CG2 3.43Å; H78-I105 WeakPolarHBondContact CD2-CG2 3.18Å; H78-I105 WeakPolarHBondContact NE2-CG2 3.4Å; W97-I105 HydrophobicContact CD2-CD1 3.98Å; W97-I105 HydrophobicContact CE3-CD1 4.32Å; W97-I105 HydrophobicContact CH2-CD1 3.93Å; W97-I105 HydrophobicContact CH2-CG1 4.37Å; W97-I105 HydrophobicContact CZ2-CD1 3.54Å; W97-I105 HydrophobicContact CZ2-CG1 3.63Å; W97-I105 HydrophobicContact CZ3-CD1 4.29Å; P103-I105 PolarHBondContact O-N 3.33Å; I105-N107 VanDerWaalsContact C-N 3.32Å; I105-N107 PolarHBondContact O-N 3.03Å |
| 106 | D | 75.8 | Confident | 78.8 | Confident | 140 Ų | 140 | 112.9 Ų | 112.9 | 75% | 0.749 | 56% | 0.56 | S | S | * | * | trans | -68.7 | 92.9 | 174.3 | -74.5 | -27.8 | 0 | 0 | 0 | 108.8 | K108 | D106-K108 VanDerWaalsContact C-N 3.32Å; D106-K108 PolarHBondContact O-N 3.09Å | ||
| 107 | N | 64.1 | Low | 78.6 | Confident | 91 Ų | 91 | 114.3 Ų | 114.3 | 49% | 0.487 | 56% | 0.562 | S | S | . | * | trans | -67 | 91.2 | 178.5 | -72.6 | -40.6 | 0 | 0 | 0 | 109.5 | I105 | I105-N107 VanDerWaalsContact C-N 3.32Å; I105-N107 PolarHBondContact O-N 3.03Å | ||
| 108 | K | 61.7 | Low | 78.4 | Confident | 152 Ų | 152 | 117.6 Ų | 117.6 | 66% | 0.661 | 58% | 0.58 | S | S | * | * | trans | -63.1 | 130.3 | 164.8 | -72 | -171.9 | -171.8 | 179.3 | 0 | 108.4 | R90 D106 M110 | R90-K108 PolarHBondContact NH2-O 2.82Å; D106-K108 VanDerWaalsContact C-N 3.32Å; D106-K108 PolarHBondContact O-N 3.09Å; K108-M110 PolarHBondContact O-N 3.16Å | ||
| 109 | P | 57.4 | Low | 78.5 | Confident | 96 Ų | 96 | 114 Ų | 114 | 62% | 0.623 | 57% | 0.568 | S | S | * | * | trans | -55.2 | 135.6 | 176 | 22.7 | -31.7 | 0 | 0 | 0 | 109.3 | F111 | P109-F111 CarbonylContact O-C 3.57Å; P109-F111 PolarHBondContact O-N 2.97Å | ||
| 110 | M | 55.5 | Low | 78.4 | Confident | 163 Ų | 163 | 111 Ų | 111 | 80% | 0.803 | 56% | 0.558 | S | S | * | * | S | Bend | trans | -59 | -27.6 | 179 | -168.9 | 175.7 | 145.9 | 0 | 0 | 111.7 | K108 N112 | K108-M110 PolarHBondContact O-N 3.16Å; M110-N112 PolarHBondContact O-N 3.19Å |
| 111 | F | 58.7 | Low | 78.5 | Confident | 171 Ų | 171 | 109.3 Ų | 109.3 | 75% | 0.75 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -78.4 | 112.5 | 169.3 | -71.9 | -76.9 | 0 | 0 | 0 | 109.2 | P109 Y113 | P109-F111 CarbonylContact O-C 3.57Å; P109-F111 PolarHBondContact O-N 2.97Å; F111-Y113 PolarHBondContact O-N 3.27Å |
| 112 | N | 61.9 | Low | 78.7 | Confident | 113 Ų | 113 | 106.9 Ų | 106.9 | 60% | 0.604 | 54% | 0.543 | S | S | * | . | trans | -59.6 | 103.7 | 170.6 | -164.7 | -10.6 | 0 | 0 | 0 | 108 | M110 L114 Y115 | M110-N112 PolarHBondContact O-N 3.19Å; N112-L114 PolarHBondContact O-N 2.98Å; N112-L114 WeakPolarHBondContact OD1-CB 3.49Å; N112-L114 PolarHBondContact OD1-N 2.86Å; N112-Y115 WeakPolarHBondContact O-CB 3.47Å; N112-Y115 PolarHBondContact O-N 2.94Å | ||
| 113 | Y | 69.7 | Low | 78.7 | Confident | 151 Ų | 151 | 107.7 Ų | 107.7 | 59% | 0.592 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -53.3 | -25.6 | -177.9 | -173.8 | -121.5 | 0 | 0 | 0 | 111.6 | F111 Y115 V116 L117 | F111-Y113 PolarHBondContact O-N 3.27Å; Y113-Y115 VanDerWaalsContact C-N 3.26Å; Y113-Y115 PolarHBondContact O-N 2.63Å; Y113-V116 PolarHBondContact O-N 2.91Å; Y113-L117 HydrophobicContact CD1-CD1 3.17Å; Y113-L117 HydrophobicContact CD1-CD2 4.3Å; Y113-L117 HydrophobicContact CD1-CG 3.49Å; Y113-L117 VanDerWaalsContact CD1-CG 3.49Å; Y113-L117 HydrophobicContact CD2-CG 4.48Å; Y113-L117 HydrophobicContact CE1-CD1 3.14Å; Y113-L117 HydrophobicContact CE1-CD2 3.52Å; Y113-L117 HydrophobicContact CE1-CG 3.22Å; Y113-L117 HydrophobicContact CE2-CD2 4.49Å; Y113-L117 HydrophobicContact CE2-CG 4.25Å; Y113-L117 HydrophobicContact CG-CD1 4.14Å; Y113-L117 HydrophobicContact CG-CG 4.12Å; Y113-L117 WeakPolarHBondContact O-CB 3.05Å; Y113-L117 PolarHBondContact O-N 2.9Å; Y113-L117 WeakPolarHBondContact OH-CD2 3.36Å |
| 114 | L | 75.9 | Confident | 78.9 | Confident | 93 Ų | 93 | 108.3 Ų | 108.3 | 49% | 0.487 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -52.4 | -40.2 | 171.8 | -165 | 68.1 | 0 | 0 | 0 | 113.1 | N112 V116 I118 | N112-L114 PolarHBondContact O-N 2.98Å; N112-L114 WeakPolarHBondContact OD1-CB 3.49Å; N112-L114 PolarHBondContact OD1-N 2.86Å; L114-V116 VanDerWaalsContact C-N 3.26Å; L114-V116 PolarHBondContact O-N 3.01Å; L114-I118 HydrophobicContact CD1-CD1 3.75Å; L114-I118 HydrophobicContact CD1-CG1 4.01Å; L114-I118 HydrophobicContact CD2-CD1 4.2Å; L114-I118 HydrophobicContact CG-CD1 3.55Å; L114-I118 HydrophobicContact CG-CG1 4.14Å; L114-I118 WeakPolarHBondContact O-CB 3.42Å; L114-I118 VanDerWaalsContact O-CG1 3.23Å; L114-I118 WeakPolarHBondContact O-CG1 3.35Å; L114-I118 PolarHBondContact O-N 2.77Å |
| 115 | Y | 78.2 | Confident | 79.3 | Confident | 193 Ų | 193 | 102.5 Ų | 102.5 | 76% | 0.757 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -70.9 | -22 | 179.9 | -161.2 | -93.4 | 0 | 0 | 0 | 113 | N112 Y113 P119 | N112-Y115 WeakPolarHBondContact O-CB 3.47Å; N112-Y115 PolarHBondContact O-N 2.94Å; Y113-Y115 VanDerWaalsContact C-N 3.26Å; Y113-Y115 PolarHBondContact O-N 2.63Å; Y115-P119 WeakPolarHBondContact O-CD 3.48Å; Y115-P119 VanDerWaalsContact O-CG 3.29Å; Y115-P119 WeakPolarHBondContact O-CG 3.41Å |
| 116 | V | 82.3 | Confident | 79.7 | Confident | 89 Ų | 89 | 106.9 Ų | 106.9 | 54% | 0.539 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -91.5 | -41.4 | 176.4 | -179.3 | 0 | 0 | 0 | 0 | 110.7 | Y113 L114 S120 | Y113-V116 PolarHBondContact O-N 2.91Å; L114-V116 VanDerWaalsContact C-N 3.26Å; L114-V116 PolarHBondContact O-N 3.01Å; V116-S120 WeakPolarHBondContact O-CB 3.07Å; V116-S120 PolarHBondContact O-N 3.17Å |
| 117 | L | 85.6 | Confident | 80.7 | Confident | 65 Ų | 65 | 103.9 Ų | 103.9 | 34% | 0.34 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -65 | -47.5 | 178.6 | -83.4 | 177.9 | 0 | 0 | 0 | 112.9 | Y113 S120 V121 | Y113-L117 HydrophobicContact CD1-CD1 3.17Å; Y113-L117 HydrophobicContact CD1-CD2 4.3Å; Y113-L117 HydrophobicContact CD1-CG 3.49Å; Y113-L117 VanDerWaalsContact CD1-CG 3.49Å; Y113-L117 HydrophobicContact CD2-CG 4.48Å; Y113-L117 HydrophobicContact CE1-CD1 3.14Å; Y113-L117 HydrophobicContact CE1-CD2 3.52Å; Y113-L117 HydrophobicContact CE1-CG 3.22Å; Y113-L117 HydrophobicContact CE2-CD2 4.49Å; Y113-L117 HydrophobicContact CE2-CG 4.25Å; Y113-L117 HydrophobicContact CG-CD1 4.14Å; Y113-L117 HydrophobicContact CG-CG 4.12Å; Y113-L117 WeakPolarHBondContact O-CB 3.05Å; Y113-L117 PolarHBondContact O-N 2.9Å; Y113-L117 WeakPolarHBondContact OH-CD2 3.36Å; L117-S120 PolarHBondContact O-N 3.22Å; L117-V121 WeakPolarHBondContact O-CG2 3.46Å; L117-V121 PolarHBondContact O-N 2.8Å |
| 118 | I | 89.5 | Confident | 82.2 | Confident | 83 Ų | 83 | 103 Ų | 103 | 43% | 0.426 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -58.8 | -53.1 | -172.8 | -71.1 | 174.5 | 0 | 0 | 0 | 111 | L114 S120 V121 I122 | L114-I118 HydrophobicContact CD1-CD1 3.75Å; L114-I118 HydrophobicContact CD1-CG1 4.01Å; L114-I118 HydrophobicContact CD2-CD1 4.2Å; L114-I118 HydrophobicContact CG-CD1 3.55Å; L114-I118 HydrophobicContact CG-CG1 4.14Å; L114-I118 WeakPolarHBondContact O-CB 3.42Å; L114-I118 VanDerWaalsContact O-CG1 3.23Å; L114-I118 WeakPolarHBondContact O-CG1 3.35Å; L114-I118 PolarHBondContact O-N 2.77Å; I118-S120 VanDerWaalsContact C-N 3.3Å; I118-S120 PolarHBondContact O-N 3.43Å; I118-V121 PolarHBondContact O-N 2.93Å; I118-I122 HydrophobicContact CG2-CD1 3.59Å; I118-I122 HydrophobicContact CG2-CG1 4.43Å; I118-I122 VanDerWaalsContact O-CG1 3.24Å; I118-I122 WeakPolarHBondContact O-CG1 3.33Å; I118-I122 PolarHBondContact O-N 3.36Å |
| 119 | P | 92.4 | Very high | 83.9 | Confident | 72 Ų | 72 | 99.5 Ų | 99.5 | 47% | 0.468 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.9 | -34.3 | 177.6 | -22.7 | 35.1 | 0 | 0 | 0 | 113.2 | Y115 G123 | Y115-P119 WeakPolarHBondContact O-CD 3.48Å; Y115-P119 VanDerWaalsContact O-CG 3.29Å; Y115-P119 WeakPolarHBondContact O-CG 3.41Å; P119-G123 PolarHBondContact O-N 2.88Å |
| 120 | S | 91 | Very high | 85.7 | Confident | 65 Ų | 65 | 96.8 Ų | 96.8 | 46% | 0.455 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.2 | -46 | 177.6 | 178.9 | 0 | 0 | 0 | 0 | 111.8 | V116 L117 I118 G123 L124 | V116-S120 WeakPolarHBondContact O-CB 3.07Å; V116-S120 PolarHBondContact O-N 3.17Å; L117-S120 PolarHBondContact O-N 3.22Å; I118-S120 VanDerWaalsContact C-N 3.3Å; I118-S120 PolarHBondContact O-N 3.43Å; S120-G123 PolarHBondContact O-N 3.12Å; S120-L124 WeakPolarHBondContact O-CG 3.49Å; S120-L124 PolarHBondContact O-N 2.89Å |
| 121 | V | 95.5 | Very high | 87.6 | Confident | 80 Ų | 80 | 95.3 Ų | 95.3 | 49% | 0.485 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.3 | -43.8 | 177.3 | 175.2 | 0 | 0 | 0 | 0 | 110.8 | L117 I118 G123 L124 V125 | L117-V121 WeakPolarHBondContact O-CG2 3.46Å; L117-V121 PolarHBondContact O-N 2.8Å; I118-V121 PolarHBondContact O-N 2.93Å; V121-G123 VanDerWaalsContact C-N 3.32Å; V121-G123 PolarHBondContact O-N 3.13Å; V121-L124 PolarHBondContact O-N 3.15Å; V121-V125 HydrophobicContact CG1-CG2 4.49Å; V121-V125 WeakPolarHBondContact O-CG2 3.32Å; V121-V125 PolarHBondContact O-N 3.19Å |
| 122 | I | 95.5 | Very high | 89.3 | Confident | 94 Ų | 94 | 91.7 Ų | 91.7 | 48% | 0.482 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.5 | -45.3 | 176.2 | -68.1 | 167.8 | 0 | 0 | 0 | 110.6 | I118 L124 V125 I126 | I118-I122 HydrophobicContact CG2-CD1 3.59Å; I118-I122 HydrophobicContact CG2-CG1 4.43Å; I118-I122 VanDerWaalsContact O-CG1 3.24Å; I118-I122 WeakPolarHBondContact O-CG1 3.33Å; I118-I122 PolarHBondContact O-N 3.36Å; I122-L124 PolarHBondContact O-N 2.96Å; I122-V125 PolarHBondContact O-N 2.91Å; I122-I126 HydrophobicContact CG2-CD1 3.8Å; I122-I126 VanDerWaalsContact O-CG1 3.32Å; I122-I126 WeakPolarHBondContact O-CG1 3.44Å; I122-I126 PolarHBondContact O-N 2.96Å |
| 123 | G | 95 | Very high | 90.9 | Very high | 32 Ų | 32 | 90 Ų | 90 | 33% | 0.33 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.4 | -46.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | P119 S120 V121 V125 I126 V127 | P119-G123 PolarHBondContact O-N 2.88Å; S120-G123 PolarHBondContact O-N 3.12Å; V121-G123 VanDerWaalsContact C-N 3.32Å; V121-G123 PolarHBondContact O-N 3.13Å; G123-V125 PolarHBondContact O-N 2.96Å; G123-I126 PolarHBondContact O-N 3.4Å; G123-V127 WeakPolarHBondContact O-CG2 3.06Å; G123-V127 PolarHBondContact O-N 3.23Å |
| 124 | L | 96.1 | Very high | 91.9 | Very high | 107 Ų | 107 | 91 Ų | 91 | 56% | 0.56 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61.3 | -42.6 | 176.9 | -74 | 168.4 | 0 | 0 | 0 | 112.2 | S120 V121 I122 V127 C128 | S120-L124 WeakPolarHBondContact O-CG 3.49Å; S120-L124 PolarHBondContact O-N 2.89Å; V121-L124 PolarHBondContact O-N 3.15Å; I122-L124 PolarHBondContact O-N 2.96Å; L124-V127 PolarHBondContact O-N 3.43Å; L124-C128 WeakPolarHBondContact O-CB 3.3Å; L124-C128 PolarHBondContact O-N 3.17Å; L124-C128 PolarHBondContact O-SG 2.82Å |
| 125 | V | 96.4 | Very high | 92.7 | Very high | 82 Ų | 82 | 93.2 Ų | 93.2 | 50% | 0.497 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.8 | -44.3 | 177.3 | 172.8 | 0 | 0 | 0 | 0 | 111.1 | V121 I122 G123 V127 C128 V129 | V121-V125 HydrophobicContact CG1-CG2 4.49Å; V121-V125 WeakPolarHBondContact O-CG2 3.32Å; V121-V125 PolarHBondContact O-N 3.19Å; I122-V125 PolarHBondContact O-N 2.91Å; G123-V125 PolarHBondContact O-N 2.96Å; V125-V127 PolarHBondContact O-N 3.23Å; V125-C128 PolarHBondContact O-N 3.46Å; V125-V129 HydrophobicContact CG1-CG2 4.3Å; V125-V129 WeakPolarHBondContact O-CB 3.32Å; V125-V129 VanDerWaalsContact O-CG2 3.28Å; V125-V129 WeakPolarHBondContact O-CG2 3.15Å; V125-V129 PolarHBondContact O-N 2.89Å |
| 126 | I | 96.6 | Very high | 93.3 | Very high | 112 Ų | 112 | 92 Ų | 92 | 57% | 0.574 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61.9 | -44.4 | 177.6 | -67 | 166 | 0 | 0 | 0 | 110.8 | I122 G123 V129 G130 | I122-I126 HydrophobicContact CG2-CD1 3.8Å; I122-I126 VanDerWaalsContact O-CG1 3.32Å; I122-I126 WeakPolarHBondContact O-CG1 3.44Å; I122-I126 PolarHBondContact O-N 2.96Å; G123-I126 PolarHBondContact O-N 3.4Å; I126-V129 PolarHBondContact O-N 2.89Å; I126-G130 PolarHBondContact O-N 3.31Å |
| 127 | V | 96.5 | Very high | 93.6 | Very high | 78 Ų | 78 | 93 Ų | 93 | 47% | 0.473 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.5 | -48.1 | 176.6 | 170.7 | 0 | 0 | 0 | 0 | 110.5 | G123 L124 V125 V129 G130 F131 | G123-V127 WeakPolarHBondContact O-CG2 3.06Å; G123-V127 PolarHBondContact O-N 3.23Å; L124-V127 PolarHBondContact O-N 3.43Å; V125-V127 PolarHBondContact O-N 3.23Å; V127-V129 PolarHBondContact O-N 3.34Å; V127-G130 PolarHBondContact O-N 3.32Å; V127-F131 HydrophobicContact CG1-CD2 3.61Å; V127-F131 HydrophobicContact CG1-CE2 3.64Å; V127-F131 VanDerWaalsContact O-CD2 3.3Å; V127-F131 WeakPolarHBondContact O-CD2 3.35Å; V127-F131 PolarHBondContact O-N 3.13Å |
| 128 | C | 96.1 | Very high | 93.7 | Very high | 71 Ų | 71 | 93 Ų | 93 | 48% | 0.48 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.5 | -45.5 | 178.1 | -71.4 | 0 | 0 | 0 | 0 | 112.4 | L124 V125 G130 F131 I132 | L124-C128 WeakPolarHBondContact O-CB 3.3Å; L124-C128 PolarHBondContact O-N 3.17Å; L124-C128 PolarHBondContact O-SG 2.82Å; V125-C128 PolarHBondContact O-N 3.46Å; C128-G130 VanDerWaalsContact C-N 3.34Å; C128-G130 PolarHBondContact O-N 3.03Å; C128-F131 PolarHBondContact O-N 3.31Å; C128-I132 VanDerWaalsContact O-CG1 3.24Å; C128-I132 WeakPolarHBondContact O-CG1 3.19Å; C128-I132 PolarHBondContact O-N 2.84Å |
| 129 | V | 96.2 | Very high | 93.4 | Very high | 80 Ų | 80 | 97 Ų | 97 | 49% | 0.485 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.9 | -42.6 | 176.7 | 172.7 | 0 | 0 | 0 | 0 | 110.5 | V125 I126 V127 I132 V133 | V125-V129 HydrophobicContact CG1-CG2 4.3Å; V125-V129 WeakPolarHBondContact O-CB 3.32Å; V125-V129 VanDerWaalsContact O-CG2 3.28Å; V125-V129 WeakPolarHBondContact O-CG2 3.15Å; V125-V129 PolarHBondContact O-N 2.89Å; I126-V129 PolarHBondContact O-N 2.89Å; V127-V129 PolarHBondContact O-N 3.34Å; V129-I132 PolarHBondContact O-N 2.75Å; V129-V133 HydrophobicContact CG1-CG2 4.32Å; V129-V133 VanDerWaalsContact O-CG2 3.31Å; V129-V133 WeakPolarHBondContact O-CG2 3.45Å; V129-V133 PolarHBondContact O-N 3.06Å |
| 130 | G | 95.1 | Very high | 92.6 | Very high | 39 Ų | 39 | 103.7 Ų | 103.7 | 40% | 0.402 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -59.7 | -45.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | I126 V127 C128 V133 W134 | I126-G130 PolarHBondContact O-N 3.31Å; V127-G130 PolarHBondContact O-N 3.32Å; C128-G130 VanDerWaalsContact C-N 3.34Å; C128-G130 PolarHBondContact O-N 3.03Å; G130-V133 PolarHBondContact O-N 3Å; G130-W134 VanDerWaalsContact O-CB 3.32Å; G130-W134 WeakPolarHBondContact O-CB 3.45Å; G130-W134 PolarHBondContact O-N 3.09Å |
| 131 | F | 95.6 | Very high | 91.2 | Very high | 132 Ų | 132 | 111.9 Ų | 111.9 | 58% | 0.579 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -62.7 | -42.4 | 175.3 | -92.6 | -76.1 | 0 | 0 | 0 | 112.5 | V127 C128 F135 | V127-F131 HydrophobicContact CG1-CD2 3.61Å; V127-F131 HydrophobicContact CG1-CE2 3.64Å; V127-F131 VanDerWaalsContact O-CD2 3.3Å; V127-F131 WeakPolarHBondContact O-CD2 3.35Å; V127-F131 PolarHBondContact O-N 3.13Å; C128-F131 PolarHBondContact O-N 3.31Å; F131-F135 VanDerWaalsContact O-CB 3.28Å; F131-F135 WeakPolarHBondContact O-CB 3.34Å; F131-F135 PolarHBondContact O-N 3.32Å |
| 132 | I | 94.8 | Very high | 90.9 | Very high | 94 Ų | 94 | 113.5 Ų | 113.5 | 48% | 0.482 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -62 | -53.5 | 176.8 | -69.4 | 166.1 | 0 | 0 | 0 | 109.3 | C128 V129 W134 F135 W136 | C128-I132 VanDerWaalsContact O-CG1 3.24Å; C128-I132 WeakPolarHBondContact O-CG1 3.19Å; C128-I132 PolarHBondContact O-N 2.84Å; V129-I132 PolarHBondContact O-N 2.75Å; I132-W134 VanDerWaalsContact C-N 3.31Å; I132-W134 PolarHBondContact O-N 2.71Å; I132-F135 PolarHBondContact O-N 3.46Å; I132-F135 VanDerWaalsContact O-N 3.17Å; I132-W136 VanDerWaalsContact CG2-CD1 3.49Å; I132-W136 PolarHBondContact O-N 2.89Å |
| 133 | V | 94.1 | Very high | 90.7 | Very high | 77 Ų | 77 | 114.5 Ų | 114.5 | 47% | 0.467 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -58.5 | -43.5 | -179.7 | 172.9 | 0 | 0 | 0 | 0 | 111.4 | V129 G130 W136 L137 | V129-V133 HydrophobicContact CG1-CG2 4.32Å; V129-V133 VanDerWaalsContact O-CG2 3.31Å; V129-V133 WeakPolarHBondContact O-CG2 3.45Å; V129-V133 PolarHBondContact O-N 3.06Å; G130-V133 PolarHBondContact O-N 3Å; V133-W136 PolarHBondContact O-N 3.21Å; V133-L137 HydrophobicContact CG1-CD1 4.03Å; V133-L137 HydrophobicContact CG1-CG 4.49Å; V133-L137 WeakPolarHBondContact O-CG 3.29Å; V133-L137 PolarHBondContact O-N 3.21Å |
| 134 | W | 92.3 | Very high | 90.5 | Very high | 174 Ų | 174 | 119.1 Ų | 119.1 | 66% | 0.659 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -61.1 | -48.8 | 175.7 | -178.6 | 9.5 | 0 | 0 | 0 | 111.5 | G130 I132 W136 L137 S138 | G130-W134 VanDerWaalsContact O-CB 3.32Å; G130-W134 WeakPolarHBondContact O-CB 3.45Å; G130-W134 PolarHBondContact O-N 3.09Å; I132-W134 VanDerWaalsContact C-N 3.31Å; I132-W134 PolarHBondContact O-N 2.71Å; W134-W136 VanDerWaalsContact C-N 3.27Å; W134-W136 PolarHBondContact O-N 2.97Å; W134-L137 PolarHBondContact O-N 2.97Å; W134-S138 PolarHBondContact O-N 3.08Å; W134-S138 PolarHBondContact O-OG 3.18Å |
| 135 | F | 92.4 | Very high | 90.1 | Very high | 139 Ų | 139 | 119.8 Ų | 119.8 | 61% | 0.61 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -59.9 | -37.3 | 178.4 | -172.9 | -96.9 | 0 | 0 | 0 | 112.6 | F131 I132 S138 K139 | F131-F135 VanDerWaalsContact O-CB 3.28Å; F131-F135 WeakPolarHBondContact O-CB 3.34Å; F131-F135 PolarHBondContact O-N 3.32Å; I132-F135 PolarHBondContact O-N 3.46Å; I132-F135 VanDerWaalsContact O-N 3.17Å; F135-S138 WeakPolarHBondContact CA-OG 3.49Å; F135-S138 PolarHBondContact O-OG 3.37Å; F135-K139 PolarHBondContact O-N 3.27Å |
| 136 | W | 89.6 | Confident | 89.7 | Confident | 167 Ų | 167 | 122.1 Ų | 122.1 | 63% | 0.633 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -67.2 | -38.7 | 173.8 | -82.5 | 100.2 | 0 | 0 | 0 | 112.7 | I132 V133 W134 | I132-W136 VanDerWaalsContact CG2-CD1 3.49Å; I132-W136 PolarHBondContact O-N 2.89Å; V133-W136 PolarHBondContact O-N 3.21Å; W134-W136 VanDerWaalsContact C-N 3.27Å; W134-W136 PolarHBondContact O-N 2.97Å |
| 137 | L | 90.2 | Very high | 89.3 | Confident | 111 Ų | 111 | 122.8 Ų | 122.8 | 58% | 0.581 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -70.9 | -40.7 | 176.9 | -71.9 | 172.1 | 0 | 0 | 0 | 112.1 | V133 W134 K139 R140 Q141 | V133-L137 HydrophobicContact CG1-CD1 4.03Å; V133-L137 HydrophobicContact CG1-CG 4.49Å; V133-L137 WeakPolarHBondContact O-CG 3.29Å; V133-L137 PolarHBondContact O-N 3.21Å; W134-L137 PolarHBondContact O-N 2.97Å; L137-K139 PolarHBondContact O-N 3.33Å; L137-R140 PolarHBondContact O-N 3.41Å; L137-R140 VanDerWaalsContact O-N 3.11Å; L137-Q141 PolarHBondContact O-N 3.24Å |
| 138 | S | 87.6 | Confident | 88.8 | Confident | 64 Ų | 64 | 126 Ų | 126 | 45% | 0.448 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -67.8 | -22.2 | 179.5 | 65 | 0 | 0 | 0 | 0 | 113.4 | W134 F135 | W134-S138 PolarHBondContact O-N 3.08Å; W134-S138 PolarHBondContact O-OG 3.18Å; F135-S138 WeakPolarHBondContact CA-OG 3.49Å; F135-S138 PolarHBondContact O-OG 3.37Å |
| 139 | K | 82.8 | Confident | 88.2 | Confident | 166 Ų | 166 | 130.2 Ų | 130.2 | 72% | 0.722 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.2 | -11.4 | 175.7 | -156.6 | 179.8 | -179.5 | -178.4 | 0 | 112.9 | F135 L137 | F135-K139 PolarHBondContact O-N 3.27Å; L137-K139 PolarHBondContact O-N 3.33Å |
| 140 | R | 75.8 | Confident | 87.5 | Confident | 214 Ų | 214 | 134.4 Ų | 134.4 | 81% | 0.808 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.4 | -15.9 | 176.7 | -78.2 | -167.9 | -173.5 | -170.9 | 3.9 | 113.6 | L137 | L137-R140 PolarHBondContact O-N 3.41Å; L137-R140 VanDerWaalsContact O-N 3.11Å |
| 141 | Q | 60.2 | Low | 86.9 | Confident | 236 Ų | 236 | 143.1 Ų | 143.1 | 100% | 1.103 | 65% | 0.645 | S | S | * | * | trans | -88.7 | 0 | 164.8 | -67.1 | -144.5 | -27.1 | 0 | 0 | 110.1 | L137 | L137-Q141 PolarHBondContact O-N 3.24Š|
Retrieved 141 of 141 residues in 278.9 ms
(Link to these results)